A0A3Q0KTE6_SCHMA Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A3Q0KTE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 448 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
1M75.5Confident80Confident66 Ų6691.3 Ų91.333%0.32551%0.51SS..  0126.20-179.9176.970.500107.8I4 I300 A315 Y318M1-I4 HydrophobicContact CE-CG2 4.4Å; M1-I4 HydrophobicContact SD-CB 4.19Å; M1-I4 HydrophobicContact SD-CG2 4.43Å; M1-I300 HydrophobicContact SD-CD1 4.28Å; M1-A315 HydrophobicContact CE-CB 4.31Å; M1-Y318 HydrophobicContact CB-CD2 4.11Å; M1-Y318 HydrophobicContact CB-CE1 4.42Å; M1-Y318 HydrophobicContact CB-CE2 3.96Å; M1-Y318 HydrophobicContact CB-CG 4.39Å; M1-Y318 HydrophobicContact CE-CD1 4.41Å; M1-Y318 HydrophobicContact CE-CG 4.14Å; M1-Y318 VanDerWaalsContact N-CZ 3.33Å; M1-Y318 PolarHBondContact N-OH 3.05Å
2I83Confident79.7Confident147 Ų14792 Ų9275%0.75454%0.537SS*.  trans-93.9-43.8-176.7-61.5173000111.1T21I2-T21 HydrophobicContact CG2-CG2 3.84Å
3G84.7Confident80Confident59 Ų5991.1 Ų91.161%0.60852%0.524SS*.  trans-151157.5177.400000111.6
4I85.1Confident80.7Confident61 Ų6188.9 Ų88.931%0.31351%0.506SS..  trans-142.2128.9173-171.7170.9000110.1M1 I300 A311 A314M1-I4 HydrophobicContact CE-CG2 4.4Å; M1-I4 HydrophobicContact SD-CB 4.19Å; M1-I4 HydrophobicContact SD-CG2 4.43Å; I4-I300 HydrophobicContact CD1-CG2 3.98Å; I4-A311 HydrophobicContact CG2-CB 3.84Å; I4-A314 HydrophobicContact CD1-CB 3.57Å
5Y83.7Confident81.4Confident98 Ų9884.6 Ų84.638%0.38448%0.481SS..  trans-99.5126.1170.4-173.8-98.3000109.3V7 T9 P11 I17Y5-V7 HydrophobicContact CE1-CB 3.67Å; Y5-V7 HydrophobicContact CE1-CG2 4.03Å; Y5-V7 HydrophobicContact CE2-CB 4.33Å; Y5-V7 HydrophobicContact CE2-CG2 3.79Å; Y5-V7 WeakPolarHBondContact OH-CB 3.33Å; Y5-T9 VanDerWaalsContact CE1-O 3.28Å; Y5-T9 WeakPolarHBondContact CE1-O 3.46Å; Y5-P11 HydrophobicContact CD1-CG 4.13Å; Y5-P11 HydrophobicContact CE1-CG 4.17Å; Y5-P11 HydrophobicContact CG-CG 4.41Å; Y5-I17 HydrophobicContact CD2-CD1 3.63Å; Y5-I17 HydrophobicContact CD2-CG2 4.2Å; Y5-I17 HydrophobicContact CE2-CD1 3.47Å; Y5-I17 VanDerWaalsContact CE2-CD1 3.47Å; Y5-I17 HydrophobicContact CG-CD1 4.39Å
6G79.9Confident81.8Confident25 Ų2587.3 Ų87.326%0.25849%0.488SS..  trans-130.832.9-169.200000114.6
7V79.7Confident82.3Confident90 Ų9086.8 Ų86.855%0.54548%0.483SS..SBendtrans-98.8157.1174.7-168.40000109.8Y5 T9Y5-V7 HydrophobicContact CE1-CB 3.67Å; Y5-V7 HydrophobicContact CE1-CG2 4.03Å; Y5-V7 HydrophobicContact CE2-CB 4.33Å; Y5-V7 HydrophobicContact CE2-CG2 3.79Å; Y5-V7 WeakPolarHBondContact OH-CB 3.33Å; V7-T9 PolarHBondContact O-N 3.12Å
8N76.8Confident82.8Confident158 Ų15882.6 Ų82.685%0.84546%0.46SS*.SBendtrans-73.6-7.8-176.5-68.8-16.7000114.8
9T80.5Confident83.3Confident96 Ų9680.2 Ų80.259%0.58945%0.452SS*.SBendtrans-109.4158.9178.2520000109.8Y5 V7Y5-T9 VanDerWaalsContact CE1-O 3.28Å; Y5-T9 WeakPolarHBondContact CE1-O 3.46Å; V7-T9 PolarHBondContact O-N 3.12Å
10K74.5Confident83.8Confident155 Ų15582.7 Ų82.767%0.67446%0.464SS*.  trans-63.6150.8166.1-74.8-170.6171.9-164.50109.9A12K10-A12 PolarHBondContact O-N 3.3Å
11P76.5Confident84.3Confident49 Ų4980.9 Ų80.932%0.31846%0.455SS..  trans-43.2128161.7-31.938.7000111Y5 Q13 I17Y5-P11 HydrophobicContact CD1-CG 4.13Å; Y5-P11 HydrophobicContact CE1-CG 4.17Å; Y5-P11 HydrophobicContact CG-CG 4.41Å; P11-Q13 VanDerWaalsContact C-N 3.31Å; P11-I17 HydrophobicContact CB-CD1 3.4Å; P11-I17 HydrophobicContact CG-CD1 3.66Å
12A76.5Confident85.3Confident100 Ų10077.9 Ų77.983%0.82644%0.441SS*.SBendtrans-68.4-38.1171.200000110.6K10K10-A12 PolarHBondContact O-N 3.3Å
13Q84.2Confident85.9Confident80 Ų8074.6 Ų74.637%0.37443%0.43SS..  trans-138.1115.1177.1-60.9-164.815.200110.2P11 N15 E16P11-Q13 VanDerWaalsContact C-N 3.31Å; Q13-N15 VanDerWaalsContact C-N 3.26Å; Q13-N15 PolarHBondContact O-N 3.2Å; Q13-E16 HydrophobicContact CB-CB 4.21Å; Q13-E16 HydrophobicContact CB-CG 3.84Å; Q13-E16 VanDerWaalsContact CD-OE1 3.24Å; Q13-E16 PolarHBondContact O-N 3.07Å; Q13-E16 PolarHBondContact OE1-OE1 3.16Å; Q13-E16 VanDerWaalsContact OE1-OE1 3.11Å
14F88.8Confident86.3Confident61 Ų6177 Ų7727%0.26843%0.426SS..Hα-helixtrans-61.8-37.2175.5-178.8-86.7000111.6E16 I17 S18 D58 V59 F115F14-E16 PolarHBondContact O-N 3.13Å; F14-I17 PolarHBondContact O-N 3.08Å; F14-S18 WeakPolarHBondContact CD1-OG 3.44Å; F14-S18 VanDerWaalsContact CE1-CB 3.46Å; F14-S18 WeakPolarHBondContact CE1-OG 3.26Å; F14-S18 WeakPolarHBondContact O-CB 3.38Å; F14-S18 PolarHBondContact O-N 2.83Å; F14-S18 PolarHBondContact O-OG 2.83Å; F14-D58 HydrophobicContact CB-CB 4.45Å; F14-V59 HydrophobicContact CD1-CG2 4.38Å; F14-V59 HydrophobicContact CD2-CG2 4.25Å; F14-V59 HydrophobicContact CE1-CB 4.37Å; F14-V59 HydrophobicContact CE1-CG1 4.36Å; F14-V59 HydrophobicContact CE1-CG2 3.96Å; F14-V59 HydrophobicContact CE2-CG2 3.78Å; F14-V59 HydrophobicContact CZ-CG2 3.63Å; F14-F115 AromaticContact CE1-CE2 3.86Å; F14-F115 HydrophobicContact CE1-CE2 3.86Å; F14-F115 HydrophobicContact CZ-CE2 4.35Å
15N91.2Very high86.8Confident24 Ų2475.6 Ų75.613%0.12842%0.419CS..Hα-helixtrans-54.6-47.7176.8-77.9-7.9000111.9Q13 I17 S18 A19 H112 L114Q13-N15 VanDerWaalsContact C-N 3.26Å; Q13-N15 PolarHBondContact O-N 3.2Å; N15-I17 VanDerWaalsContact C-N 3.34Å; N15-I17 PolarHBondContact O-N 2.95Å; N15-S18 PolarHBondContact O-N 2.67Å; N15-S18 PolarHBondContact O-OG 3.38Å; N15-A19 PolarHBondContact O-N 2.9Å; N15-A19 VanDerWaalsContact O-N 3.12Å; N15-H112 PolarHBondContact ND2-O 3.26Å; N15-L114 HydrophobicContact CB-CD1 3.96Å; N15-L114 HydrophobicContact CB-CG 3.88Å; N15-L114 WeakPolarHBondContact O-CD1 3.34Å; N15-L114 PolarHBondContact OD1-N 3.48Å
16E89.1Confident87.4Confident127 Ų12774.4 Ų74.459%0.59342%0.416SS*.Hα-helixtrans-61.6-41.9-179.7-67.8177.7-177.300112.3Q13 F14 S18Q13-E16 HydrophobicContact CB-CB 4.21Å; Q13-E16 HydrophobicContact CB-CG 3.84Å; Q13-E16 VanDerWaalsContact CD-OE1 3.24Å; Q13-E16 PolarHBondContact O-N 3.07Å; Q13-E16 PolarHBondContact OE1-OE1 3.16Å; Q13-E16 VanDerWaalsContact OE1-OE1 3.11Å; F14-E16 PolarHBondContact O-N 3.13Å; E16-S18 VanDerWaalsContact C-N 3.35Å
17I89Confident88.1Confident80 Ų8079.1 Ų79.141%0.4143%0.431SS..Hα-helixtrans-76.9-25.5-175.2-54.4-176.1000112Y5 P11 F14 N15Y5-I17 HydrophobicContact CD2-CD1 3.63Å; Y5-I17 HydrophobicContact CD2-CG2 4.2Å; Y5-I17 HydrophobicContact CE2-CD1 3.47Å; Y5-I17 VanDerWaalsContact CE2-CD1 3.47Å; Y5-I17 HydrophobicContact CG-CD1 4.39Å; P11-I17 HydrophobicContact CB-CD1 3.4Å; P11-I17 HydrophobicContact CG-CD1 3.66Å; F14-I17 PolarHBondContact O-N 3.08Å; N15-I17 VanDerWaalsContact C-N 3.34Å; N15-I17 PolarHBondContact O-N 2.95Å
18S91.5Very high88.7Confident10 Ų1077.8 Ų77.87%0.0742%0.42CS..Hα-helixtrans-98.6-2.9-17759.20000114.1F14 N15 E16 D20 T21 I22F14-S18 WeakPolarHBondContact CD1-OG 3.44Å; F14-S18 VanDerWaalsContact CE1-CB 3.46Å; F14-S18 WeakPolarHBondContact CE1-OG 3.26Å; F14-S18 WeakPolarHBondContact O-CB 3.38Å; F14-S18 PolarHBondContact O-N 2.83Å; F14-S18 PolarHBondContact O-OG 2.83Å; N15-S18 PolarHBondContact O-N 2.67Å; N15-S18 PolarHBondContact O-OG 3.38Å; E16-S18 VanDerWaalsContact C-N 3.35Å; S18-D20 PolarHBondContact O-N 3.4Å; S18-T21 PolarHBondContact O-N 2.84Å; S18-I22 WeakPolarHBondContact O-CB 3.26Å; S18-I22 WeakPolarHBondContact O-CG1 3.36Å; S18-I22 PolarHBondContact O-N 2.73Å; S18-I22 WeakPolarHBondContact OG-CD1 3.26Å
19A93.5Very high89.5Confident37 Ų3771.6 Ų71.631%0.30639%0.387SS..Hα-helixtrans-54-52.4-172.300000113.5N15 T21 I22 S23 L114N15-A19 PolarHBondContact O-N 2.9Å; N15-A19 VanDerWaalsContact O-N 3.12Å; A19-T21 PolarHBondContact O-N 2.87Å; A19-I22 PolarHBondContact O-N 2.89Å; A19-S23 WeakPolarHBondContact O-CB 3.19Å; A19-S23 PolarHBondContact O-N 2.93Å; A19-L114 HydrophobicContact CB-CD1 3.95Å
20D93.5Very high90.1Very high130 Ų13073 Ų7370%0.69539%0.387SS*.Hα-helixtrans-62.8-46.7-179.4-64.3-18.1000111.1S18 I22 S23 E24S18-D20 PolarHBondContact O-N 3.4Å; D20-I22 VanDerWaalsContact C-N 3.34Å; D20-I22 PolarHBondContact O-N 2.83Å; D20-S23 WeakPolarHBondContact O-CB 3.44Å; D20-S23 PolarHBondContact O-N 2.75Å; D20-E24 WeakPolarHBondContact O-CG 3.34Å; D20-E24 PolarHBondContact O-N 3.09Å
21T93.9Very high91Very high45 Ų4569.4 Ų69.428%0.27638%0.378SS..Hα-helixtrans-61.3-41.2178.5-570000112.1I2 S18 A19 E24 I25I2-T21 HydrophobicContact CG2-CG2 3.84Å; S18-T21 PolarHBondContact O-N 2.84Å; A19-T21 PolarHBondContact O-N 2.87Å; T21-E24 PolarHBondContact O-N 2.91Å; T21-I25 HydrophobicContact CG2-CD1 3.99Å; T21-I25 VanDerWaalsContact O-CG1 3.23Å; T21-I25 WeakPolarHBondContact O-CG1 3.28Å; T21-I25 PolarHBondContact O-N 2.92Å
22I95.3Very high91.7Very high4 Ų467.5 Ų67.52%0.02137%0.368CS..Hα-helixtrans-70.2-36.9178.2-68.9173.6000110.7S18 A19 D20 I25 K26 L114 F115 L118S18-I22 WeakPolarHBondContact O-CB 3.26Å; S18-I22 WeakPolarHBondContact O-CG1 3.36Å; S18-I22 PolarHBondContact O-N 2.73Å; S18-I22 WeakPolarHBondContact OG-CD1 3.26Å; A19-I22 PolarHBondContact O-N 2.89Å; D20-I22 VanDerWaalsContact C-N 3.34Å; D20-I22 PolarHBondContact O-N 2.83Å; I22-I25 PolarHBondContact O-N 3.41Å; I22-K26 WeakPolarHBondContact O-CB 3.5Å; I22-K26 PolarHBondContact O-N 2.82Å; I22-L114 HydrophobicContact CD1-CB 3.4Å; I22-L114 VanDerWaalsContact CD1-CB 3.4Å; I22-L114 HydrophobicContact CD1-CD1 4.3Å; I22-L114 HydrophobicContact CG2-CB 4.18Å; I22-F115 HydrophobicContact CD1-CD2 3.62Å; I22-F115 HydrophobicContact CD1-CE2 3.59Å; I22-F115 HydrophobicContact CD1-CG 4.26Å; I22-F115 HydrophobicContact CD1-CZ 4.22Å; I22-F115 HydrophobicContact CG1-CD2 4.46Å; I22-F115 HydrophobicContact CG1-CE2 4.17Å; I22-F115 HydrophobicContact CG1-CZ 4.31Å; I22-L118 HydrophobicContact CG2-CD1 4.35Å; I22-L118 HydrophobicContact CG2-CD2 4.16Å; I22-L118 HydrophobicContact CG2-CG 4.18Å
23S95.5Very high92.4Very high77 Ų7766.8 Ų66.854%0.53835%0.349SS..Hα-helixtrans-61.2-44.9173.9-169.50000111.7A19 D20 K26 E27A19-S23 WeakPolarHBondContact O-CB 3.19Å; A19-S23 PolarHBondContact O-N 2.93Å; D20-S23 WeakPolarHBondContact O-CB 3.44Å; D20-S23 PolarHBondContact O-N 2.75Å; S23-K26 WeakPolarHBondContact O-CB 3.48Å; S23-K26 PolarHBondContact O-N 2.82Å; S23-E27 PolarHBondContact O-N 2.96Å
24E94.6Very high92.7Very high109 Ų10967 Ų6751%0.50935%0.352SS..Hα-helixtrans-63.2-42.7175.3-71.2174.7-164.900111.8D20 T21 K26 E27 M28D20-E24 WeakPolarHBondContact O-CG 3.34Å; D20-E24 PolarHBondContact O-N 3.09Å; T21-E24 PolarHBondContact O-N 2.91Å; E24-K26 VanDerWaalsContact C-N 3.28Å; E24-K26 PolarHBondContact O-N 3.23Å; E24-E27 PolarHBondContact O-N 3.16Å; E24-M28 HydrophobicContact CB-CE 4.5Å; E24-M28 WeakPolarHBondContact O-CB 3.49Å; E24-M28 VanDerWaalsContact O-CG 3.32Å; E24-M28 WeakPolarHBondContact O-CG 3.37Å; E24-M28 PolarHBondContact O-N 3.37Å
25I94.5Very high92.8Very high32 Ų3265.2 Ų65.216%0.16435%0.348CS..Hα-helixtrans-61.9-39.9175.4-69166000110.8T21 I22 M28 T29 L46 L118T21-I25 HydrophobicContact CG2-CD1 3.99Å; T21-I25 VanDerWaalsContact O-CG1 3.23Å; T21-I25 WeakPolarHBondContact O-CG1 3.28Å; T21-I25 PolarHBondContact O-N 2.92Å; I22-I25 PolarHBondContact O-N 3.41Å; I25-M28 HydrophobicContact CG1-CE 4.11Å; I25-M28 PolarHBondContact O-N 3.09Å; I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 WeakPolarHBondContact O-CB 3.48Å; I25-T29 VanDerWaalsContact O-CG2 3.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.5Å; I25-T29 PolarHBondContact O-N 2.96Å; I25-T29 PolarHBondContact O-OG1 2.86Å; I25-L46 HydrophobicContact CG2-CD2 4.44Å; I25-L118 HydrophobicContact CB-CD2 4.44Å; I25-L118 HydrophobicContact CG2-CD1 3.75Å; I25-L118 HydrophobicContact CG2-CD2 4.01Å
26K95.7Very high92.8Very high74 Ų7470.3 Ų70.332%0.32238%0.379SS..Hα-helixtrans-60.8-52.1176.8-171.1176.2176.4179.40110.8I22 S23 E24 M28 T29 E30 L118I22-K26 WeakPolarHBondContact O-CB 3.5Å; I22-K26 PolarHBondContact O-N 2.82Å; S23-K26 WeakPolarHBondContact O-CB 3.48Å; S23-K26 PolarHBondContact O-N 2.82Å; E24-K26 VanDerWaalsContact C-N 3.28Å; E24-K26 PolarHBondContact O-N 3.23Å; K26-M28 VanDerWaalsContact C-N 3.32Å; K26-M28 PolarHBondContact O-N 2.84Å; K26-T29 PolarHBondContact O-N 3.2Å; K26-T29 PolarHBondContact O-OG1 2.87Å; K26-E30 WeakPolarHBondContact CE-OE1 3.42Å; K26-E30 HydrophobicContact CG-CG 4.45Å; K26-E30 IonicContact NZ-OE1 3.99Å; K26-E30 WeakPolarHBondContact O-CB 3.42Å; K26-E30 WeakPolarHBondContact O-CG 3.47Å; K26-E30 PolarHBondContact O-N 2.82Å; K26-L118 HydrophobicContact CB-CD2 3.56Å; K26-L118 HydrophobicContact CG-CD2 4.13Å
27E94.6Very high92.9Very high123 Ų12374.5 Ų74.558%0.57539%0.39SS*.Hα-helixtrans-56.7-47.1177.5-175.2-179.3177.100111.4S23 E24 T29 E30 T31S23-E27 PolarHBondContact O-N 2.96Å; E24-E27 PolarHBondContact O-N 3.16Å; E27-T29 VanDerWaalsContact C-N 3.34Å; E27-T29 PolarHBondContact O-N 3.36Å; E27-E30 PolarHBondContact O-N 2.82Å; E27-T31 HydrophobicContact CG-CG2 4.48Å; E27-T31 WeakPolarHBondContact O-CB 3.34Å; E27-T31 PolarHBondContact O-N 3.19Å; E27-T31 PolarHBondContact O-OG1 2.93Å
28M93.7Very high93Very high63 Ų6376.8 Ų76.831%0.3140%0.397SS..Hα-helixtrans-62.9-38178.9-74-171.8-70.500113.1E24 I25 K26 G32 L33E24-M28 HydrophobicContact CB-CE 4.5Å; E24-M28 WeakPolarHBondContact O-CB 3.49Å; E24-M28 VanDerWaalsContact O-CG 3.32Å; E24-M28 WeakPolarHBondContact O-CG 3.37Å; E24-M28 PolarHBondContact O-N 3.37Å; I25-M28 HydrophobicContact CG1-CE 4.11Å; I25-M28 PolarHBondContact O-N 3.09Å; K26-M28 VanDerWaalsContact C-N 3.32Å; K26-M28 PolarHBondContact O-N 2.84Å; M28-G32 WeakPolarHBondContact O-CA 2.92Å; M28-G32 PolarHBondContact O-N 2.83Å; M28-L33 HydrophobicContact CG-CD2 4.09Å; M28-L33 HydrophobicContact SD-CD2 4.27Å
29T93.9Very high93Very high27 Ų2782.8 Ų82.817%0.16643%0.429CS..Hα-helixtrans-77.5-28.3-179510000112.8I25 K26 E27I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 WeakPolarHBondContact O-CB 3.48Å; I25-T29 VanDerWaalsContact O-CG2 3.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.5Å; I25-T29 PolarHBondContact O-N 2.96Å; I25-T29 PolarHBondContact O-OG1 2.86Å; K26-T29 PolarHBondContact O-N 3.2Å; K26-T29 PolarHBondContact O-OG1 2.87Å; E27-T29 VanDerWaalsContact C-N 3.34Å; E27-T29 PolarHBondContact O-N 3.36Å
30E92.7Very high92.9Very high127 Ų12788 Ų8859%0.59344%0.444SS*.Hα-helixtrans-83.8-41.3177.4-70.6176.6171.600112.6K26 E27K26-E30 WeakPolarHBondContact CE-OE1 3.42Å; K26-E30 HydrophobicContact CG-CG 4.45Å; K26-E30 IonicContact NZ-OE1 3.99Å; K26-E30 WeakPolarHBondContact O-CB 3.42Å; K26-E30 WeakPolarHBondContact O-CG 3.47Å; K26-E30 PolarHBondContact O-N 2.82Å; E27-E30 PolarHBondContact O-N 2.82Å
31T92.1Very high92.8Very high79 Ų7989.4 Ų89.449%0.48544%0.441SS..Hα-helixtrans-100.2-24.5-173.365.60000113.8E27 Y41E27-T31 HydrophobicContact CG-CG2 4.48Å; E27-T31 WeakPolarHBondContact O-CB 3.34Å; E27-T31 PolarHBondContact O-N 3.19Å; E27-T31 PolarHBondContact O-OG1 2.93Å; T31-Y41 WeakPolarHBondContact O-CD1 3.45Å
32G91.8Very high92.9Very high9 Ų991.2 Ų91.29%0.09345%0.448CS..  trans74.8-179.2-169.200000113.2M28 I42M28-G32 WeakPolarHBondContact O-CA 2.92Å; M28-G32 PolarHBondContact O-N 2.83Å; G32-I42 CarbonylContact C-O 3.5Å; G32-I42 WeakPolarHBondContact CA-O 3.48Å
33L91.5Very high92.8Very high84 Ų8495.5 Ų95.544%0.4448%0.484SS..EExtended strand (participates in β ladder)trans-108.4123.5177.4-70.5174.6000110.7M28 S35 Y41 I42 I44M28-L33 HydrophobicContact CG-CD2 4.09Å; M28-L33 HydrophobicContact SD-CD2 4.27Å; L33-S35 PolarHBondContact O-N 3.34Å; L33-S35 VanDerWaalsContact O-N 3.16Å; L33-Y41 CarbonylContact O-C 3.55Å; L33-Y41 WeakPolarHBondContact O-CA 3.48Å; L33-I42 PolarHBondContact N-O 2.84Å; L33-I42 PolarHBondContact O-N 2.92Å; L33-I44 HydrophobicContact CB-CG1 4.43Å; L33-I44 HydrophobicContact CD1-CD1 3.82Å; L33-I44 HydrophobicContact CD1-CG1 3.91Å; L33-I44 HydrophobicContact CG-CD1 4.22Å; L33-I44 HydrophobicContact CG-CG1 3.86Å
34L91Very high92.7Very high84 Ų8494.6 Ų94.644%0.4447%0.473SS..EExtended strand (participates in β ladder)trans-70.8109.2172.9179.562.6000110V36 Y41L34-V36 PolarHBondContact O-N 3.22Å; L34-Y41 HydrophobicContact CB-CD1 4.25Å; L34-Y41 HydrophobicContact CB-CE1 3.9Å; L34-Y41 HydrophobicContact CB-CE2 4.47Å; L34-Y41 HydrophobicContact CD1-CD2 4.01Å; L34-Y41 HydrophobicContact CD1-CE2 3.83Å
35S90.9Very high92.6Very high25 Ų2597.5 Ų97.518%0.17548%0.484CS..EExtended strand (participates in β ladder)trans-82.2103.7169-173.90000109.9L33 R37 F38 N39 K40L33-S35 PolarHBondContact O-N 3.34Å; L33-S35 VanDerWaalsContact O-N 3.16Å; S35-R37 PolarHBondContact O-N 3.25Å; S35-F38 CarbonylContact O-C 3.49Å; S35-F38 PolarHBondContact O-N 2.69Å; S35-F38 VanDerWaalsContact O-N 3.16Å; S35-F38 VanDerWaalsContact OG-CD2 3.25Å; S35-F38 WeakPolarHBondContact OG-CD2 3.43Å; S35-N39 WeakPolarHBondContact O-CA 3.43Å; S35-N39 PolarHBondContact O-N 2.84Å; S35-K40 PolarHBondContact N-O 2.68Å; S35-K40 PolarHBondContact O-N 2.93Å
36V90.6Very high92.7Very high130 Ų13097.8 Ų97.879%0.78849%0.485SS*.THydrogen-bonded Turntrans-56.9-38.6175.8-177.20000111.2L34 F38 N39L34-V36 PolarHBondContact O-N 3.22Å; V36-F38 VanDerWaalsContact C-N 3.27Å; V36-F38 PolarHBondContact O-N 2.77Å; V36-N39 PolarHBondContact O-N 3.01Å
37R91.1Very high92.6Very high216 Ų21698.7 Ų98.782%0.81550%0.497SS*.THydrogen-bonded Turntrans-58.8-37.5179-177.8177.7179.5176.31112.9S35S35-R37 PolarHBondContact O-N 3.25Å
38F90.6Very high92.7Very high128 Ų12894.2 Ų94.256%0.56148%0.481SS*.THydrogen-bonded Turntrans-107.3-3.2-176.6-58.4-63.4000113.3S35 V36 K40S35-F38 CarbonylContact O-C 3.49Å; S35-F38 PolarHBondContact O-N 2.69Å; S35-F38 VanDerWaalsContact O-N 3.16Å; S35-F38 VanDerWaalsContact OG-CD2 3.25Å; S35-F38 WeakPolarHBondContact OG-CD2 3.43Å; V36-F38 VanDerWaalsContact C-N 3.27Å; V36-F38 PolarHBondContact O-N 2.77Å; F38-K40 HydrophobicContact CB-CB 4.46Å; F38-K40 WeakPolarHBondContact O-CG 3.15Å; F38-K40 PolarHBondContact O-N 2.92Å
39N91.6Very high92.9Very high136 Ų13692.4 Ų92.473%0.72747%0.473SS*.THydrogen-bonded Turntrans46.145.3-170.3-16437.3000112.7S35 V36S35-N39 WeakPolarHBondContact O-CA 3.43Å; S35-N39 PolarHBondContact O-N 2.84Å; V36-N39 PolarHBondContact O-N 3.01Å
40K92.7Very high93Very high147 Ų14794.4 Ų94.464%0.63948%0.483SS*.EExtended strand (participates in β ladder)trans-137.9143.5-177.4-75-178.5-176.4-174.90110.8S35 F38S35-K40 PolarHBondContact N-O 2.68Å; S35-K40 PolarHBondContact O-N 2.93Å; F38-K40 HydrophobicContact CB-CB 4.46Å; F38-K40 WeakPolarHBondContact O-CG 3.15Å; F38-K40 PolarHBondContact O-N 2.92Å
41Y91.6Very high93.1Very high158 Ų15888.8 Ų88.862%0.6246%0.457SS*.EExtended strand (participates in β ladder)trans-75.4128.2165-78.3-91.7000109.8T31 L33 L34T31-Y41 WeakPolarHBondContact O-CD1 3.45Å; L33-Y41 CarbonylContact O-C 3.55Å; L33-Y41 WeakPolarHBondContact O-CA 3.48Å; L34-Y41 HydrophobicContact CB-CD1 4.25Å; L34-Y41 HydrophobicContact CB-CE1 3.9Å; L34-Y41 HydrophobicContact CB-CE2 4.47Å; L34-Y41 HydrophobicContact CD1-CD2 4.01Å; L34-Y41 HydrophobicContact CD1-CE2 3.83Å
42I94.1Very high93.3Very high83 Ų8387.4 Ų87.443%0.42645%0.447SS..EExtended strand (participates in β ladder)trans-98.3115.9174-59.1177.1000106.8G32 L33 I44G32-I42 CarbonylContact C-O 3.5Å; G32-I42 WeakPolarHBondContact CA-O 3.48Å; L33-I42 PolarHBondContact N-O 2.84Å; L33-I42 PolarHBondContact O-N 2.92Å; I42-I44 HydrophobicContact CG2-CD1 4.12Å; I42-I44 PolarHBondContact O-N 3.13Å
43A93.7Very high93.4Very high94 Ų9487.5 Ų87.578%0.77745%0.447SS*.  trans-64.9131.3173.800000110
44I93.8Very high93.6Very high59 Ų5985.3 Ų85.330%0.30344%0.438SS..  trans-109.1137.5178.8-56.9-59.1000108.9L33 I42L33-I44 HydrophobicContact CB-CG1 4.43Å; L33-I44 HydrophobicContact CD1-CD1 3.82Å; L33-I44 HydrophobicContact CD1-CG1 3.91Å; L33-I44 HydrophobicContact CG-CD1 4.22Å; L33-I44 HydrophobicContact CG-CG1 3.86Å; I42-I44 HydrophobicContact CG2-CD1 4.12Å; I42-I44 PolarHBondContact O-N 3.13Å
45K93.5Very high93.7Very high170 Ų17083 Ų8374%0.73943%0.431SS*.  trans-131131.6173.7-176178.1179.1-179.30109.4T47K45-T47 PolarHBondContact O-N 2.85Å
46L94.8Very high93.9Very high37 Ų3782 Ų8219%0.19442%0.423CS..  trans-75.7109.5167.7179.461.4000109I25 V49 F115 L118 I120 T125I25-L46 HydrophobicContact CG2-CD2 4.44Å; L46-V49 HydrophobicContact CD1-CG2 4.42Å; L46-V49 HydrophobicContact CD2-CG2 3.82Å; L46-V49 HydrophobicContact CG-CG2 4.33Å; L46-F115 HydrophobicContact CD2-CD1 4.4Å; L46-F115 HydrophobicContact CD2-CE1 4.04Å; L46-L118 HydrophobicContact CD2-CD1 4.13Å; L46-I120 HydrophobicContact CB-CG2 4.2Å; L46-I120 HydrophobicContact CD2-CD1 4.27Å; L46-I120 HydrophobicContact CD2-CG2 4.42Å; L46-T125 HydrophobicContact CG-CG2 4.34Å
47T94.4Very high94.2Very high93 Ų9376 Ų7657%0.57139%0.386SS*.  trans-80.6-47.2-176.2-530000112.2K45 H282K45-T47 PolarHBondContact O-N 2.85Å; T47-H282 PolarHBondContact O-CE1 3.13Å; T47-H282 VanDerWaalsContact O-CE1 3.26Å
48A96.8Very high94.3Very high30 Ų3068.9 Ų68.925%0.24837%0.365CS..  trans-149.7146.8-175.500000112I50 T125 P127A48-I50 HydrophobicContact CB-CG1 4.23Å; A48-T125 CarbonylContact C-O 3.55Å; A48-T125 VanDerWaalsContact CA-O 3.28Å; A48-T125 WeakPolarHBondContact CA-O 3.44Å; A48-P127 HydrophobicContact CB-CG 4.18Å
49V96.9Very high94.5Very high24 Ų2463.3 Ų63.315%0.14534%0.341CS..  trans-115.398167.4-177.10000107.9L46 V59 F115 T125 F126L46-V49 HydrophobicContact CD1-CG2 4.42Å; L46-V49 HydrophobicContact CD2-CG2 3.82Å; L46-V49 HydrophobicContact CG-CG2 4.33Å; V49-V59 HydrophobicContact CG1-CG1 4.21Å; V49-F115 HydrophobicContact CG1-CZ 4.47Å; V49-F115 HydrophobicContact CG2-CD1 4.3Å; V49-F115 HydrophobicContact CG2-CE1 3.71Å; V49-F115 HydrophobicContact CG2-CZ 4.33Å; V49-T125 HydrophobicContact CG2-CG2 4.34Å; V49-T125 PolarHBondContact N-O 3.42Å; V49-F126 HydrophobicContact CB-CD1 3.65Å; V49-F126 HydrophobicContact CB-CE1 3.54Å; V49-F126 HydrophobicContact CB-CZ 4.34Å; V49-F126 HydrophobicContact CG1-CD1 3.99Å; V49-F126 HydrophobicContact CG1-CE1 3.72Å; V49-F126 HydrophobicContact CG2-CD1 4.35Å; V49-F126 HydrophobicContact CG2-CE1 3.82Å; V49-F126 HydrophobicContact CG2-CZ 4.15Å
50I96.8Very high94.7Very high70 Ų7056.9 Ų56.936%0.35931%0.307SS..  trans-88.4122.8-175.1-56.5166.8000108.7A48 P127 Y288 E290A48-I50 HydrophobicContact CB-CG1 4.23Å; I50-P127 HydrophobicContact CG1-CG 4.18Å; I50-Y288 WeakPolarHBondContact CG2-O 3.35Å; I50-E290 HydrophobicContact CG2-CG 3.51Å
51C95.3Very high94.8Very high9 Ų952.9 Ų52.96%0.06129%0.288CS..BIsolated β-bridgetrans-154.2148.7-178410000111.5A55 R56 E290C51-A55 HydrophobicContact CB-CB 3.93Å; C51-R56 HydrophobicContact CB-CB 4.32Å; C51-R56 PolarHBondContact O-NH1 2.87Å; C51-R56 WeakPolarHBondContact SG-CA 3.35Å; C51-R56 WeakPolarHBondContact SG-CB 3.5Å; C51-E290 WeakPolarHBondContact CA-OE1 3.48Å; C51-E290 PolarHBondContact N-OE1 3.25Å
52D95.1Very high95.1Very high49 Ų4945.7 Ų45.726%0.26226%0.261SS..  trans-62.7165.7167.881.2-7.9000110.7P54 A55 R56 E290D52-P54 WeakPolarHBondContact OD1-CD 3.45Å; D52-A55 PolarHBondContact O-N 3.02Å; D52-A55 WeakPolarHBondContact OD1-CB 3.38Å; D52-A55 PolarHBondContact OD1-N 3.43Å; D52-R56 VanDerWaalsContact O-CB 3.26Å; D52-R56 WeakPolarHBondContact O-CB 3.32Å; D52-R56 PolarHBondContact O-N 3.03Å; D52-E290 PolarHBondContact N-OE1 2.57Å
53A95.5Very high95.2Very high12 Ų1242.9 Ų42.910%0.09925%0.247CC..Hα-helixtrans-61.5-42.2-172.100000113.9S57 H65 Y267A53-S57 PolarHBondContact O-N 3.45Å; A53-S57 VanDerWaalsContact O-N 3.1Å; A53-S57 PolarHBondContact O-OG 3.49Å; A53-H65 HydrophobicContact CB-CB 3.96Å; A53-Y267 HydrophobicContact CB-CE1 3.97Å
54P94.4Very high95.2Very high38 Ų3841.7 Ų41.725%0.24723%0.228CC..Hα-helixtrans-59.9-50.7171.5-24.634.7000113.5D52 R56 S57 D58D52-P54 WeakPolarHBondContact OD1-CD 3.45Å; P54-R56 VanDerWaalsContact C-N 3.3Å; P54-R56 PolarHBondContact O-N 3.29Å; P54-S57 WeakPolarHBondContact O-CB 3.35Å; P54-S57 PolarHBondContact O-N 3.14Å; P54-S57 VanDerWaalsContact O-N 3.12Å; P54-D58 PolarHBondContact O-N 2.99Å; P54-D58 VanDerWaalsContact O-N 3.07Å
55A93.3Very high95.2Very high35 Ų3541.2 Ų41.229%0.28922%0.224SC..Hα-helixtrans-64.8-36-179.600000111.6C51 D52 S57 D58 V59C51-A55 HydrophobicContact CB-CB 3.93Å; D52-A55 PolarHBondContact O-N 3.02Å; D52-A55 WeakPolarHBondContact OD1-CB 3.38Å; D52-A55 PolarHBondContact OD1-N 3.43Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 3.29Å; A55-D58 PolarHBondContact O-N 3.07Å; A55-V59 WeakPolarHBondContact O-CB 3.47Å; A55-V59 WeakPolarHBondContact O-CG2 3.45Å; A55-V59 PolarHBondContact O-N 2.84Å
56R95.9Very high95.2Very high5 Ų537.8 Ų37.82%0.01921%0.214CC..Hα-helixtrans-60.1-40.2173.3-174.9162.950.9-108.1-11.8112C51 D52 P54 V59 R60 D72 P127 Y267C51-R56 HydrophobicContact CB-CB 4.32Å; C51-R56 PolarHBondContact O-NH1 2.87Å; C51-R56 WeakPolarHBondContact SG-CA 3.35Å; C51-R56 WeakPolarHBondContact SG-CB 3.5Å; D52-R56 VanDerWaalsContact O-CB 3.26Å; D52-R56 WeakPolarHBondContact O-CB 3.32Å; D52-R56 PolarHBondContact O-N 3.03Å; P54-R56 VanDerWaalsContact C-N 3.3Å; P54-R56 PolarHBondContact O-N 3.29Å; R56-V59 PolarHBondContact O-N 2.95Å; R56-R60 HydrophobicContact CG-CG 4.22Å; R56-R60 VanDerWaalsContact O-CB 3.29Å; R56-R60 WeakPolarHBondContact O-CB 3.31Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 3.2Å; R56-D72 IonicContact CZ-OD2 3.83Å; R56-D72 IonicContact NE-OD1 3.07Å; R56-D72 IonicContact NE-OD2 3.56Å; R56-D72 PolarHBondContact NE-OD2 3.15Å; R56-D72 IonicContact NH2-OD2 3.51Å; R56-P127 PolarHBondContact NH1-O 2.83Å; R56-Y267 PolarHBondContact NH2-OH 3.25Å
57S95.4Very high95.1Very high2 Ų236.9 Ų36.91%0.01421%0.214CC..Hα-helixtrans-65.3-42.6177.2-52.50000111.1A53 P54 A55 Y61 T62 V63A53-S57 PolarHBondContact O-N 3.45Å; A53-S57 VanDerWaalsContact O-N 3.1Å; A53-S57 PolarHBondContact O-OG 3.49Å; P54-S57 WeakPolarHBondContact O-CB 3.35Å; P54-S57 PolarHBondContact O-N 3.14Å; P54-S57 VanDerWaalsContact O-N 3.12Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 3.29Å; S57-Y61 VanDerWaalsContact O-CA 3.3Å; S57-Y61 WeakPolarHBondContact O-CA 3.23Å; S57-Y61 PolarHBondContact O-N 3.19Å; S57-T62 PolarHBondContact O-N 3.2Å; S57-V63 PolarHBondContact OG-O 2.85Å
58D93.7Very high95.2Very high68 Ų6839 Ų3936%0.36422%0.215SC..Hα-helixtrans-65.2-44.2177-68.1-21.7000111.6F14 P54 A55 Y61F14-D58 HydrophobicContact CB-CB 4.45Å; P54-D58 PolarHBondContact O-N 2.99Å; P54-D58 VanDerWaalsContact O-N 3.07Å; A55-D58 PolarHBondContact O-N 3.07Å; D58-Y61 PolarHBondContact O-N 3.29Å
59V95Very high95.1Very high11 Ų1137.7 Ų37.77%0.06720%0.204CC..Hα-helixtrans-67.5-45.4-179.21710000111.9F14 V49 A55 R56 Y61 S113 F115 F126F14-V59 HydrophobicContact CD1-CG2 4.38Å; F14-V59 HydrophobicContact CD2-CG2 4.25Å; F14-V59 HydrophobicContact CE1-CB 4.37Å; F14-V59 HydrophobicContact CE1-CG1 4.36Å; F14-V59 HydrophobicContact CE1-CG2 3.96Å; F14-V59 HydrophobicContact CE2-CG2 3.78Å; F14-V59 HydrophobicContact CZ-CG2 3.63Å; V49-V59 HydrophobicContact CG1-CG1 4.21Å; A55-V59 WeakPolarHBondContact O-CB 3.47Å; A55-V59 WeakPolarHBondContact O-CG2 3.45Å; A55-V59 PolarHBondContact O-N 2.84Å; R56-V59 PolarHBondContact O-N 2.95Å; V59-Y61 PolarHBondContact O-N 3.45Å; V59-S113 WeakPolarHBondContact O-CB 3.43Å; V59-S113 PolarHBondContact O-OG 3.31Å; V59-F115 HydrophobicContact CG1-CD2 3.64Å; V59-F115 HydrophobicContact CG1-CE2 3.44Å; V59-F115 VanDerWaalsContact CG1-CE2 3.44Å; V59-F115 HydrophobicContact CG1-CG 4.46Å; V59-F115 HydrophobicContact CG1-CZ 4.12Å; V59-F126 HydrophobicContact CG1-CD1 4.36Å; V59-F126 HydrophobicContact CG1-CE1 3.57Å; V59-F126 HydrophobicContact CG1-CZ 4.41Å
60R96.2Very high95.1Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-80.9-6.9178-64.1179.373.8-154.44.6112.6R56 T62 D72 F100 M122 F126R56-R60 HydrophobicContact CG-CG 4.22Å; R56-R60 VanDerWaalsContact O-CB 3.29Å; R56-R60 WeakPolarHBondContact O-CB 3.31Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 3.2Å; R60-T62 VanDerWaalsContact C-N 3.34Å; R60-T62 HydrophobicContact CB-CG2 3.94Å; R60-T62 PolarHBondContact O-N 3.48Å; R60-D72 IonicContact CZ-OD1 3.19Å; R60-D72 VanDerWaalsContact NH1-CB 3.31Å; R60-D72 PolarHBondContact NH1-O 2.79Å; R60-D72 IonicContact NH1-OD1 2.67Å; R60-D72 PolarHBondContact NH1-OD1 2.97Å; R60-F100 HydrophobicContact CB-CZ 4.15Å; R60-F100 WeakPolarHBondContact O-CZ 3.33Å; R60-M122 PolarHBondContact NE-O 3.45Å; R60-M122 PolarHBondContact NH2-O 3.07Å; R60-F126 HydrophobicContact CG-CD1 3.76Å; R60-F126 HydrophobicContact CG-CD2 4.32Å; R60-F126 HydrophobicContact CG-CE1 3.98Å; R60-F126 HydrophobicContact CG-CG 3.95Å; R60-F126 HydrophobicContact CG-CZ 4.35Å
61Y95.4Very high95.1Very high63 Ų6333.3 Ų33.325%0.24718%0.181CC..THydrogen-bonded Turntrans56.947-178.4-145.5-118000112.6S57 D58 V59 Q110S57-Y61 VanDerWaalsContact O-CA 3.3Å; S57-Y61 WeakPolarHBondContact O-CA 3.23Å; S57-Y61 PolarHBondContact O-N 3.19Å; D58-Y61 PolarHBondContact O-N 3.29Å; V59-Y61 PolarHBondContact O-N 3.45Å; Y61-Q110 HydrophobicContact CD1-CB 4.09Å; Y61-Q110 VanDerWaalsContact CE1-C 3.47Å; Y61-Q110 HydrophobicContact CE1-CB 4.15Å; Y61-Q110 WeakPolarHBondContact CE1-O 3.38Å; Y61-Q110 HydrophobicContact CG-CB 4.49Å; Y61-Q110 PolarHBondContact O-N 3.36Å
62T96.4Very high95.1Very high8 Ų833 Ų335%0.04918%0.179CC..BIsolated β-bridgetrans-114.6168.9-179.660.70000111.5S57 R60 F100 H108S57-T62 PolarHBondContact O-N 3.2Å; R60-T62 VanDerWaalsContact C-N 3.34Å; R60-T62 HydrophobicContact CB-CG2 3.94Å; R60-T62 PolarHBondContact O-N 3.48Å; T62-F100 HydrophobicContact CG2-CE2 3.6Å; T62-F100 HydrophobicContact CG2-CZ 3.76Å; T62-H108 CarbonylContact C-O 3.59Å; T62-H108 VanDerWaalsContact CA-O 3.25Å; T62-H108 WeakPolarHBondContact CA-O 3.29Å; T62-H108 VanDerWaalsContact CB-O 3.29Å; T62-H108 WeakPolarHBondContact CB-O 2.96Å; T62-H108 WeakPolarHBondContact CG2-NE2 3.44Å
63V96.1Very high95.2Very high23 Ų2331.6 Ų31.614%0.13917%0.17CC..  trans-58.3150168-65.10000111.3S57 K68 A69 I107 H108S57-V63 PolarHBondContact OG-O 2.85Å; V63-K68 WeakPolarHBondContact CG2-O 3.13Å; V63-A69 WeakPolarHBondContact CG2-O 3.23Å; V63-I107 WeakPolarHBondContact CG1-O 3.28Å; V63-H108 PolarHBondContact N-O 2.65Å
64N94.7Very high95.3Very high69 Ų6931.1 Ų31.137%0.36917%0.166SC..  trans-63.8155.2176-89.5-57.5000112.4N66 G67N64-N66 WeakPolarHBondContact CB-OD1 3.44Å; N64-N66 PolarHBondContact O-N 3.39Å; N64-G67 WeakPolarHBondContact O-CA 3.5Å; N64-G67 PolarHBondContact O-N 3.39Å
65H93Very high95.4Very high50 Ų5031.5 Ų31.523%0.23117%0.167CC..THydrogen-bonded Turntrans-54-20.9178.266.5-84.2000115.7A53 F87 Y267A53-H65 HydrophobicContact CB-CB 3.96Å; H65-F87 WeakPolarHBondContact O-CZ 3.02Å; H65-Y267 HydrophobicContact CB-CD1 3.89Å; H65-Y267 HydrophobicContact CB-CD2 3.71Å; H65-Y267 HydrophobicContact CB-CE1 4.08Å; H65-Y267 HydrophobicContact CB-CE2 3.86Å; H65-Y267 HydrophobicContact CB-CG 3.71Å; H65-Y267 WeakPolarHBondContact O-CB 3.48Å
66N93.8Very high95.5Very high97 Ų9730 Ų3052%0.51916%0.155SC..THydrogen-bonded Turntrans-99.51.7176.766.8-6.2000113.8N64 M85N64-N66 WeakPolarHBondContact CB-OD1 3.44Å; N64-N66 PolarHBondContact O-N 3.39Å; N66-M85 WeakPolarHBondContact O-CB 3.03Å
67G93.9Very high95.4Very high19 Ų1935.6 Ų35.620%0.19619%0.185CC..SBendtrans-86.3169.4179.100000113.1N64 G70N64-G67 WeakPolarHBondContact O-CA 3.5Å; N64-G67 PolarHBondContact O-N 3.39Å; G67-G70 PolarHBondContact O-N 2.92Å; G67-G70 VanDerWaalsContact O-N 3.15Å
68K94.5Very high95.4Very high138 Ų13836.5 Ų36.560%0.619%0.19SC*.THydrogen-bonded Turntrans-64.1138169.2-160.7-171.8-179.5174.40108.4V63 G70 D78 M85 I107V63-K68 WeakPolarHBondContact CG2-O 3.13Å; K68-G70 PolarHBondContact O-N 3.03Å; K68-D78 WeakPolarHBondContact CA-OD1 3.49Å; K68-D78 WeakPolarHBondContact CG-OD1 3.25Å; K68-M85 HydrophobicContact CB-CE 4.35Å; K68-I107 HydrophobicContact CD-CD1 4.06Å; K68-I107 HydrophobicContact CG-CD1 4.35Å
69A95.9Very high95.5Very high2 Ų239 Ų392%0.01719%0.194CC..THydrogen-bonded Turntrans57.829.2-170.200000114.1V63 C71 D78 I107 H108V63-A69 WeakPolarHBondContact CG2-O 3.23Å; A69-C71 PolarHBondContact O-N 2.86Å; A69-D78 VanDerWaalsContact CA-OD2 3.31Å; A69-D78 WeakPolarHBondContact CA-OD2 3.36Å; A69-D78 PolarHBondContact N-OD2 3.18Å; A69-I107 HydrophobicContact CB-CD1 3.86Å; A69-I107 HydrophobicContact CB-CG1 3.87Å; A69-H108 HydrophobicContact CB-CB 4.1Å; A69-H108 PolarHBondContact O-ND1 3.25Å
70G96.2Very high95.6Very high1 Ų147.4 Ų47.41%0.0122%0.224CC..  trans-70.8-6-175.600000116.5G67 K68 Y267G67-G70 PolarHBondContact O-N 2.92Å; G67-G70 VanDerWaalsContact O-N 3.15Å; K68-G70 PolarHBondContact O-N 3.03Å; G70-Y267 WeakPolarHBondContact O-CE2 3.44Å
71C97.1Very high95.6Very high1 Ų149.8 Ų49.81%0.00724%0.237CC..  trans-79.5126.5179.8-173.60000110.6A69 R73 C74 F87 R95 H108 H270A69-C71 PolarHBondContact O-N 2.86Å; C71-R73 PolarHBondContact O-N 2.96Å; C71-R73 PolarHBondContact SG-N 2.83Å; C71-C74 WeakPolarHBondContact CB-O 3.39Å; C71-C74 PolarHBondContact SG-N 3.17Å; C71-F87 HydrophobicContact CB-CD1 4.02Å; C71-F87 HydrophobicContact CB-CE1 3.81Å; C71-R95 PolarHBondContact O-NE 3.4Å; C71-R95 PolarHBondContact O-NH2 3.42Å; C71-H108 PolarHBondContact O-CE1 3.11Å; C71-H270 PolarHBondContact SG-NE2 2.9Å
72D95.6Very high95.5Very high3 Ų352.6 Ų52.62%0.01626%0.256CS..SBendtrans-68.8-19.5178-74.1-65.5000114R56 R60 L128 Y267R56-D72 IonicContact CZ-OD2 3.83Å; R56-D72 IonicContact NE-OD1 3.07Å; R56-D72 IonicContact NE-OD2 3.56Å; R56-D72 PolarHBondContact NE-OD2 3.15Å; R56-D72 IonicContact NH2-OD2 3.51Å; R60-D72 IonicContact CZ-OD1 3.19Å; R60-D72 VanDerWaalsContact NH1-CB 3.31Å; R60-D72 PolarHBondContact NH1-O 2.79Å; R60-D72 IonicContact NH1-OD1 2.67Å; R60-D72 PolarHBondContact NH1-OD1 2.97Å; D72-L128 HydrophobicContact CB-CD2 4.27Å; D72-Y267 PolarHBondContact OD2-OH 3.18Å
73R96.6Very high95.4Very high18 Ų1855.8 Ų55.87%0.06829%0.291CS..SBendtrans-116.9-29.2-163.7-67.3-78.4-177.3-121.8-11.2114.1C71 L94 R95 T123 F126 L128 H274 D278C71-R73 PolarHBondContact O-N 2.96Å; C71-R73 PolarHBondContact SG-N 2.83Å; R73-L94 CarbonylContact O-C 3.6Å; R73-L94 WeakPolarHBondContact O-CA 3.39Å; R73-R95 PolarHBondContact O-N 3.48Å; R73-T123 VanDerWaalsContact NH1-C 3.26Å; R73-T123 PolarHBondContact NH1-O 3.38Å; R73-F126 PolarHBondContact NH2-O 2.99Å; R73-L128 HydrophobicContact CG-CD1 4.11Å; R73-H274 HydrophobicContact CB-CB 4.01Å; R73-H274 VanDerWaalsContact CB-CD2 3.44Å; R73-H274 WeakPolarHBondContact CB-CD2 3.4Å; R73-H274 VanDerWaalsContact CB-CG 3.45Å; R73-H274 HydrophobicContact CG-CB 3.62Å; R73-D278 IonicContact CZ-OD1 3.89Å; R73-D278 IonicContact CZ-OD2 3.69Å; R73-D278 IonicContact NE-OD1 3.8Å; R73-D278 IonicContact NE-OD2 3.62Å; R73-D278 IonicContact NH1-OD1 3.67Å; R73-D278 IonicContact NH2-OD1 2.86Å; R73-D278 PolarHBondContact NH2-OD1 3.18Å; R73-D278 IonicContact NH2-OD2 2.88Å; R73-D278 PolarHBondContact NH2-OD2 2.8Å
74C97.3Very high95.3Very high2 Ų258.1 Ų58.11%0.01430%0.299CS..BIsolated β-bridgetrans-141.9156.8-178.368.10000113C71 V76 T93 L94 H270C71-C74 WeakPolarHBondContact CB-O 3.39Å; C71-C74 PolarHBondContact SG-N 3.17Å; C74-V76 PolarHBondContact O-N 3.48Å; C74-T93 CarbonylContact C-O 3.51Å; C74-T93 VanDerWaalsContact CA-O 3.25Å; C74-T93 WeakPolarHBondContact CA-O 3.38Å; C74-T93 WeakPolarHBondContact CB-O 3.5Å; C74-L94 HydrophobicContact CB-CD2 4.05Å; C74-H270 PolarHBondContact SG-NE2 3.42Å; C74-H270 VanDerWaalsContact SG-NE2 3.41Å
75V97.5Very high95.5Very high46 Ų4655.8 Ų55.828%0.27929%0.287SS..  trans-85.282.4172.9-177.40000108Y92 T93 R95V75-Y92 WeakPolarHBondContact O-CD1 3.34Å; V75-T93 PolarHBondContact N-O 2.83Å; V75-R95 HydrophobicContact CG2-CG 4.47Å
76V95.7Very high95.7Very high4 Ų453.5 Ų53.52%0.02428%0.276CS..  trans-81.7147-178.8105.10000110.7C74 D78 F87 Y92C74-V76 PolarHBondContact O-N 3.48Å; V76-D78 HydrophobicContact CG1-CB 3.5Å; V76-D78 PolarHBondContact O-N 2.98Å; V76-F87 HydrophobicContact CB-CD1 4.38Å; V76-F87 HydrophobicContact CG1-CB 4.39Å; V76-F87 HydrophobicContact CG1-CD1 3.6Å; V76-F87 HydrophobicContact CG1-CE1 4.2Å; V76-F87 HydrophobicContact CG1-CG 4.31Å; V76-F87 HydrophobicContact CG2-CB 4.45Å; V76-Y92 HydrophobicContact CB-CD1 4.49Å; V76-Y92 HydrophobicContact CB-CD2 4.45Å; V76-Y92 HydrophobicContact CB-CG 4.41Å; V76-Y92 HydrophobicContact CG2-CD1 4.06Å; V76-Y92 HydrophobicContact CG2-CD2 3.43Å; V76-Y92 VanDerWaalsContact CG2-CD2 3.43Å; V76-Y92 HydrophobicContact CG2-CE1 3.92Å; V76-Y92 HydrophobicContact CG2-CE2 3.24Å; V76-Y92 HydrophobicContact CG2-CG 3.82Å
77D92.6Very high95.8Very high122 Ų12248.9 Ų48.965%0.65225%0.251SS*.  trans-80.771.3166.5-69.7-34.2000110.2P88 Y92D77-P88 WeakPolarHBondContact O-CD 3.49Å; D77-Y92 HydrophobicContact CB-CE1 4.12Å
78D95.5Very high95.9Very high21 Ų2148.8 Ų48.811%0.11225%0.247CC..  trans-70.5151.8-176.857.683.3000112.2K68 A69 V76 M85 T86K68-D78 WeakPolarHBondContact CA-OD1 3.49Å; K68-D78 WeakPolarHBondContact CG-OD1 3.25Å; A69-D78 VanDerWaalsContact CA-OD2 3.31Å; A69-D78 WeakPolarHBondContact CA-OD2 3.36Å; A69-D78 PolarHBondContact N-OD2 3.18Å; V76-D78 HydrophobicContact CG1-CB 3.5Å; V76-D78 PolarHBondContact O-N 2.98Å; D78-M85 HydrophobicContact CB-CG 4.47Å; D78-M85 HydrophobicContact CB-SD 3.82Å; D78-T86 VanDerWaalsContact CA-O 3.31Å; D78-T86 WeakPolarHBondContact CA-O 3.49Å; D78-T86 WeakPolarHBondContact CB-O 3.39Å
79R96.5Very high95.9Very high122 Ų12244.3 Ų44.346%0.4623%0.23SC..EExtended strand (participates in β ladder)trans-148.6150.6179.961-174.3-178.5-170.2-0111.3L81 T86 P88R79-L81 HydrophobicContact CG-CD1 4.41Å; R79-L81 HydrophobicContact CG-CG 4.22Å; R79-T86 WeakPolarHBondContact CG-OG1 3.05Å; R79-T86 PolarHBondContact N-O 3.27Å; R79-T86 VanDerWaalsContact N-O 3.13Å; R79-T86 PolarHBondContact O-N 2.67Å; R79-T86 PolarHBondContact O-OG1 3.1Å; R79-P88 HydrophobicContact CG-CG 4.1Å
80R96.4Very high95.8Very high186 Ų18646.1 Ų46.170%0.70225%0.249SC*.EExtended strand (participates in β ladder)trans-83.9124.7171.7-78.3-170.3171.4-176.3-1.6110.8K84 M85R80-K84 CarbonylContact C-O 3.49Å; R80-K84 VanDerWaalsContact CA-O 3.25Å; R80-K84 WeakPolarHBondContact CA-O 3.43Å; R80-M85 HydrophobicContact CG-CE 3.71Å; R80-M85 HydrophobicContact CG-SD 4.27Å
81L96.3Very high95.7Very high50 Ų5053.9 Ų53.926%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-131.9132.8172.2-62.3176000108.1R79 G83 K84 T86 E263R79-L81 HydrophobicContact CG-CD1 4.41Å; R79-L81 HydrophobicContact CG-CG 4.22Å; L81-G83 PolarHBondContact O-N 3.42Å; L81-K84 PolarHBondContact N-O 2.87Å; L81-K84 PolarHBondContact O-N 3.12Å; L81-T86 HydrophobicContact CB-CG2 4.01Å; L81-T86 HydrophobicContact CD1-CG2 4.29Å; L81-T86 HydrophobicContact CG-CG2 4.36Å; L81-E263 HydrophobicContact CB-CB 3.84Å
82D94.2Very high95.6Very high122 Ų12256.2 Ų56.265%0.65229%0.294SS*.THydrogen-bonded Turntrans50.743.1178.4-171.743.5000113.2K84 E263D82-K84 PolarHBondContact O-N 3.27Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 IonicContact OD2-NZ 3.86Å; D82-K84 PolarHBondContact OD2-NZ 3.3Å; D82-E263 HydrophobicContact CB-CB 4.1Å; D82-E263 HydrophobicContact CB-CG 4.27Å
83G93.9Very high95.7Very high76 Ų7661.2 Ų61.278%0.78433%0.325SS*.THydrogen-bonded Turntrans70.10.6-178.400000115.7L81L81-G83 PolarHBondContact O-N 3.42Å
84K95.3Very high95.8Very high71 Ų7164.7 Ų64.731%0.30934%0.344SS..EExtended strand (participates in β ladder)trans-106.9145.4-178.1-61.6155.6-169.5152.10110.6R80 L81 D82 N264 V266R80-K84 CarbonylContact C-O 3.49Å; R80-K84 VanDerWaalsContact CA-O 3.25Å; R80-K84 WeakPolarHBondContact CA-O 3.43Å; L81-K84 PolarHBondContact N-O 2.87Å; L81-K84 PolarHBondContact O-N 3.12Å; D82-K84 PolarHBondContact O-N 3.27Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 IonicContact OD2-NZ 3.86Å; D82-K84 PolarHBondContact OD2-NZ 3.3Å; K84-N264 PolarHBondContact NZ-OD1 2.84Å; K84-V266 HydrophobicContact CB-CG1 4.37Å
85M97.2Very high95.8Very high21 Ų2165.2 Ų65.210%0.10335%0.346CS..EExtended strand (participates in β ladder)trans-77.1127.2166.5-171.756.67100109.7N66 K68 D78 R80 F87N66-M85 WeakPolarHBondContact O-CB 3.03Å; K68-M85 HydrophobicContact CB-CE 4.35Å; D78-M85 HydrophobicContact CB-CG 4.47Å; D78-M85 HydrophobicContact CB-SD 3.82Å; R80-M85 HydrophobicContact CG-CE 3.71Å; R80-M85 HydrophobicContact CG-SD 4.27Å; M85-F87 HydrophobicContact CG-CE2 3.99Å; M85-F87 HydrophobicContact CG-CZ 4.22Å
86T97.4Very high95.8Very high1 Ų166.4 Ų66.41%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-121.3149.6-176.466.80000111.1D78 R79 L81 P88 E263 L265D78-T86 VanDerWaalsContact CA-O 3.31Å; D78-T86 WeakPolarHBondContact CA-O 3.49Å; D78-T86 WeakPolarHBondContact CB-O 3.39Å; R79-T86 WeakPolarHBondContact CG-OG1 3.05Å; R79-T86 PolarHBondContact N-O 3.27Å; R79-T86 VanDerWaalsContact N-O 3.13Å; R79-T86 PolarHBondContact O-N 2.67Å; R79-T86 PolarHBondContact O-OG1 3.1Å; L81-T86 HydrophobicContact CB-CG2 4.01Å; L81-T86 HydrophobicContact CD1-CG2 4.29Å; L81-T86 HydrophobicContact CG-CG2 4.36Å; T86-P88 WeakPolarHBondContact O-CD 3.36Å; T86-E263 WeakPolarHBondContact CG2-O 3.47Å; T86-L265 CarbonylContact C-O 3.58Å; T86-L265 WeakPolarHBondContact CA-O 3.41Å
87F97.2Very high95.9Very high1 Ų167.9 Ų67.90%0.00436%0.361CS..  trans-12285.8-175-62.2-105.7000106.2H65 C71 V76 M85 L265 Y267 H270H65-F87 WeakPolarHBondContact O-CZ 3.02Å; C71-F87 HydrophobicContact CB-CD1 4.02Å; C71-F87 HydrophobicContact CB-CE1 3.81Å; V76-F87 HydrophobicContact CB-CD1 4.38Å; V76-F87 HydrophobicContact CG1-CB 4.39Å; V76-F87 HydrophobicContact CG1-CD1 3.6Å; V76-F87 HydrophobicContact CG1-CE1 4.2Å; V76-F87 HydrophobicContact CG1-CG 4.31Å; V76-F87 HydrophobicContact CG2-CB 4.45Å; M85-F87 HydrophobicContact CG-CE2 3.99Å; M85-F87 HydrophobicContact CG-CZ 4.22Å; F87-L265 PolarHBondContact N-O 3.19Å; F87-Y267 HydrophobicContact CE1-CD2 4.44Å; F87-Y267 HydrophobicContact CZ-CD2 4.18Å; F87-H270 HydrophobicContact CB-CB 3.59Å; F87-H270 VanDerWaalsContact CB-CG 3.49Å; F87-H270 WeakPolarHBondContact CB-ND1 3.2Å; F87-H270 HydrophobicContact CG-CB 4.14Å
88P96Very high96.1Very high16 Ų1667.9 Ų67.910%0.10436%0.361CS..  trans-57.7159.4-173.3-24.335.2000112.7D77 R79 T86 Y92D77-P88 WeakPolarHBondContact O-CD 3.49Å; R79-P88 HydrophobicContact CG-CG 4.1Å; T86-P88 WeakPolarHBondContact O-CD 3.36Å; P88-Y92 VanDerWaalsContact O-CE2 3.29Å; P88-Y92 WeakPolarHBondContact O-CE2 3.45Å; P88-Y92 PolarHBondContact O-OH 2.9Å
89N94.7Very high96.2Very high44 Ų4467.9 Ų67.924%0.23536%0.362CS..SBendtrans-68.8133.8171.8-73.8-42.9000110.2L253 R254 E257N89-L253 PolarHBondContact ND2-O 3.19Å; N89-L253 VanDerWaalsContact ND2-O 3.12Å; N89-L253 WeakPolarHBondContact OD1-CB 3.34Å; N89-R254 WeakPolarHBondContact ND2-CA 3.49Å; N89-E257 PolarHBondContact ND2-OE2 2.61Å
90G93Very high96.3Very high41 Ų4162 Ų6242%0.42334%0.34SS..SBendtrans178.4174.1-179.900000111.8Y92G90-Y92 VanDerWaalsContact CA-CE2 3.49Å
91E93.5Very high96.4Very high164 Ų16456.5 Ų56.577%0.76632%0.319SS*.  trans-99.2116.7168.4-65.3-169.6167.300107.9
92Y96.1Very high96.4Very high50 Ų5057.7 Ų57.720%0.19633%0.332CS..  trans-122.3148.5-173.3-59.9-71.9000110.2V75 V76 D77 P88 G90 L94V75-Y92 WeakPolarHBondContact O-CD1 3.34Å; V76-Y92 HydrophobicContact CB-CD1 4.49Å; V76-Y92 HydrophobicContact CB-CD2 4.45Å; V76-Y92 HydrophobicContact CB-CG 4.41Å; V76-Y92 HydrophobicContact CG2-CD1 4.06Å; V76-Y92 HydrophobicContact CG2-CD2 3.43Å; V76-Y92 VanDerWaalsContact CG2-CD2 3.43Å; V76-Y92 HydrophobicContact CG2-CE1 3.92Å; V76-Y92 HydrophobicContact CG2-CE2 3.24Å; V76-Y92 HydrophobicContact CG2-CG 3.82Å; D77-Y92 HydrophobicContact CB-CE1 4.12Å; P88-Y92 VanDerWaalsContact O-CE2 3.29Å; P88-Y92 WeakPolarHBondContact O-CE2 3.45Å; P88-Y92 PolarHBondContact O-OH 2.9Å; G90-Y92 VanDerWaalsContact CA-CE2 3.49Å; Y92-L94 PolarHBondContact O-N 3.4Å
93T97.2Very high96.6Very high108 Ų10854.2 Ų54.266%0.66331%0.312SS*.PPolyproline II helixtrans-61.6126.9174.6-54.50000109.7C74 V75C74-T93 CarbonylContact C-O 3.51Å; C74-T93 VanDerWaalsContact CA-O 3.25Å; C74-T93 WeakPolarHBondContact CA-O 3.38Å; C74-T93 WeakPolarHBondContact CB-O 3.5Å; V75-T93 PolarHBondContact N-O 2.83Å
94L97.6Very high96.7Very high91 Ų9155.3 Ų55.348%0.47630%0.303SS..BIsolated β-bridgetrans-73.8142.9174-62.8-178.7000110R73 C74 Y92R73-L94 CarbonylContact O-C 3.6Å; R73-L94 WeakPolarHBondContact O-CA 3.39Å; C74-L94 HydrophobicContact CB-CD2 4.05Å; Y92-L94 PolarHBondContact O-N 3.4Å
95R97.4Very high96.8Very high13 Ų1353.3 Ų53.35%0.04930%0.295CS..PPolyproline II helixtrans-71.7134.7168.8-61.8-172-170.4-71.2-2.1108.7C71 R73 V75 H108 T123C71-R95 PolarHBondContact O-NE 3.4Å; C71-R95 PolarHBondContact O-NH2 3.42Å; R73-R95 PolarHBondContact O-N 3.48Å; V75-R95 HydrophobicContact CG2-CG 4.47Å; R95-H108 VanDerWaalsContact CZ-CD2 3.48Å; R95-H108 VanDerWaalsContact CZ-CG 3.42Å; R95-H108 PolarHBondContact NE-NE2 3.3Å; R95-H108 VanDerWaalsContact NH2-CG 3.27Å; R95-H108 PolarHBondContact NH2-ND1 2.84Å; R95-T123 HydrophobicContact CB-CG2 4.05Å
96T97.5Very high96.7Very high70 Ų7056.2 Ų56.243%0.42932%0.318SS..  trans-108.9164.8168.165.20000110.2D98 S99 F100T96-D98 VanDerWaalsContact C-N 3.28Å; T96-D98 PolarHBondContact O-N 3.38Å; T96-S99 PolarHBondContact N-OG 3.24Å; T96-S99 PolarHBondContact O-N 3.33Å; T96-S99 PolarHBondContact O-OG 2.93Å; T96-S99 WeakPolarHBondContact OG1-CB 3.29Å; T96-S99 PolarHBondContact OG1-N 3.1Å; T96-S99 VanDerWaalsContact OG1-N 3.09Å; T96-S99 PolarHBondContact OG1-OG 3.22Å; T96-F100 WeakPolarHBondContact O-CB 3.37Å; T96-F100 PolarHBondContact O-N 2.75Å
97D97.8Very high96.7Very high36 Ų3660.1 Ų60.119%0.19334%0.338CS..Hα-helixtrans-52.3-47.6171.4-171.954.5000111.8S99 F100 R101 D121 M122D97-S99 PolarHBondContact O-N 3.3Å; D97-F100 WeakPolarHBondContact O-CB 3.4Å; D97-F100 PolarHBondContact O-N 2.77Å; D97-F100 VanDerWaalsContact O-N 3.15Å; D97-R101 WeakPolarHBondContact O-CG 3.44Å; D97-R101 PolarHBondContact O-N 2.92Å; D97-R101 IonicContact OD1-CZ 2.65Å; D97-R101 IonicContact OD1-NE 2.71Å; D97-R101 PolarHBondContact OD1-NE 3.4Å; D97-R101 IonicContact OD1-NH2 3.98Å; D97-R101 WeakPolarHBondContact OD2-CD 3.49Å; D97-R101 IonicContact OD2-CZ 2.66Å; D97-R101 IonicContact OD2-NE 3.58Å; D97-R101 PolarHBondContact OD2-NE 3.42Å; D97-D121 HydrophobicContact CB-CB 4.46Å; D97-M122 WeakPolarHBondContact OD1-CB 2.97Å; D97-M122 PolarHBondContact OD1-N 3.49Å
98D98.2Very high96.7Very high122 Ų12260.1 Ų60.165%0.65234%0.338SS*.Hα-helixtrans-57.9-48.4176.8-65.5-35.4000111.9T96 F100 R101 S102T96-D98 VanDerWaalsContact C-N 3.28Å; T96-D98 PolarHBondContact O-N 3.38Å; D98-F100 PolarHBondContact O-N 3.42Å; D98-R101 PolarHBondContact O-N 3.13Å; D98-S102 VanDerWaalsContact O-CB 3.3Å; D98-S102 WeakPolarHBondContact O-CB 3.21Å; D98-S102 PolarHBondContact O-N 3.14Å; D98-S102 PolarHBondContact O-OG 3.09Å
99S97.8Very high96.7Very high20 Ų2059.9 Ų59.914%0.1434%0.335CS..Hα-helixtrans-64-31.4-179.475.90000112.4T96 D97 S102 Q103 T104T96-S99 PolarHBondContact N-OG 3.24Å; T96-S99 PolarHBondContact O-N 3.33Å; T96-S99 PolarHBondContact O-OG 2.93Å; T96-S99 WeakPolarHBondContact OG1-CB 3.29Å; T96-S99 PolarHBondContact OG1-N 3.1Å; T96-S99 VanDerWaalsContact OG1-N 3.09Å; T96-S99 PolarHBondContact OG1-OG 3.22Å; D97-S99 PolarHBondContact O-N 3.3Å; S99-S102 PolarHBondContact O-OG 3.1Å; S99-Q103 PolarHBondContact O-N 3.31Å; S99-T104 PolarHBondContact O-N 2.78Å; S99-T104 PolarHBondContact O-OG1 3Å
100F98.1Very high96.7Very high0 Ų063.7 Ų63.70%035%0.351CS..Hα-helixtrans-73.6-50.7178.5-173.2-80.9000110.8R60 T62 T96 D97 D98 S102 Q103 H108 H109 E116 M122R60-F100 HydrophobicContact CB-CZ 4.15Å; R60-F100 WeakPolarHBondContact O-CZ 3.33Å; T62-F100 HydrophobicContact CG2-CE2 3.6Å; T62-F100 HydrophobicContact CG2-CZ 3.76Å; T96-F100 WeakPolarHBondContact O-CB 3.37Å; T96-F100 PolarHBondContact O-N 2.75Å; D97-F100 WeakPolarHBondContact O-CB 3.4Å; D97-F100 PolarHBondContact O-N 2.77Å; D97-F100 VanDerWaalsContact O-N 3.15Å; D98-F100 PolarHBondContact O-N 3.42Å; F100-S102 VanDerWaalsContact C-N 3.35Å; F100-S102 PolarHBondContact O-N 2.95Å; F100-Q103 WeakPolarHBondContact O-CA 3.43Å; F100-Q103 WeakPolarHBondContact O-CG 3.23Å; F100-Q103 PolarHBondContact O-N 3.28Å; F100-H108 AromaticContact CE2-NE2 3.94Å; F100-H109 AromaticContact CD1-CE1 3.99Å; F100-H109 AromaticContact CD2-CE1 3.56Å; F100-H109 AromaticContact CE2-CE1 3.6Å; F100-H109 AromaticContact CG-CE1 3.77Å; F100-H109 AromaticContact CZ-CE1 3.83Å; F100-H109 AromaticContact CZ-ND1 3.93Å; F100-H109 PolarHBondContact O-CE1 2.98Å; F100-E116 HydrophobicContact CE1-CG 4.32Å; F100-M122 HydrophobicContact CB-CB 4.31Å; F100-M122 HydrophobicContact CD1-CB 3.45Å; F100-M122 VanDerWaalsContact CD1-CB 3.45Å; F100-M122 HydrophobicContact CD1-CE 4.38Å; F100-M122 HydrophobicContact CD1-CG 3.91Å; F100-M122 HydrophobicContact CE1-CB 3.9Å; F100-M122 HydrophobicContact CE1-CE 3.71Å; F100-M122 HydrophobicContact CE1-CG 4.19Å; F100-M122 HydrophobicContact CG-CB 3.86Å; F100-M122 HydrophobicContact CZ-CE 4.23Å
101R97.7Very high96.8Very high69 Ų6962.8 Ų62.826%0.2634%0.343SS..Hα-helixtrans-66.8-35.6-178.7-68.7172.3176.4-82.23112.7D97 D98 Q103 E116 L118 I120 M122D97-R101 WeakPolarHBondContact O-CG 3.44Å; D97-R101 PolarHBondContact O-N 2.92Å; D97-R101 IonicContact OD1-CZ 2.65Å; D97-R101 IonicContact OD1-NE 2.71Å; D97-R101 PolarHBondContact OD1-NE 3.4Å; D97-R101 IonicContact OD1-NH2 3.98Å; D97-R101 WeakPolarHBondContact OD2-CD 3.49Å; D97-R101 IonicContact OD2-CZ 2.66Å; D97-R101 IonicContact OD2-NE 3.58Å; D97-R101 PolarHBondContact OD2-NE 3.42Å; D98-R101 PolarHBondContact O-N 3.13Å; R101-Q103 PolarHBondContact O-N 3.4Å; R101-E116 PolarHBondContact NH1-O 3.41Å; R101-L118 PolarHBondContact NH2-O 3.34Å; R101-L118 VanDerWaalsContact NH2-O 3.1Å; R101-I120 PolarHBondContact NH2-O 3.03Å; R101-M122 HydrophobicContact CG-CG 4.37Å
102S97.3Very high96.9Very high76 Ų7660 Ų6053%0.53133%0.329SS..THydrogen-bonded Turntrans-79.5-4.1172.3600000113.6D98 S99 F100 T104D98-S102 VanDerWaalsContact O-CB 3.3Å; D98-S102 WeakPolarHBondContact O-CB 3.21Å; D98-S102 PolarHBondContact O-N 3.14Å; D98-S102 PolarHBondContact O-OG 3.09Å; S99-S102 PolarHBondContact O-OG 3.1Å; F100-S102 VanDerWaalsContact C-N 3.35Å; F100-S102 PolarHBondContact O-N 2.95Å; S102-T104 VanDerWaalsContact C-N 3.27Å; S102-T104 PolarHBondContact O-N 2.71Å; S102-T104 VanDerWaalsContact OG-CG2 3.31Å; S102-T104 WeakPolarHBondContact OG-CG2 3.4Å
103Q97.4Very high96.8Very high48 Ų4857.9 Ų57.922%0.22432%0.321CS..THydrogen-bonded Turntrans49.843.5-179.9-57.5-173-18.700113.6S99 F100 R101 Q105 S106 H109 G111 H112S99-Q103 PolarHBondContact O-N 3.31Å; F100-Q103 WeakPolarHBondContact O-CA 3.43Å; F100-Q103 WeakPolarHBondContact O-CG 3.23Å; F100-Q103 PolarHBondContact O-N 3.28Å; R101-Q103 PolarHBondContact O-N 3.4Å; Q103-Q105 CarbonylContact O-C 3.6Å; Q103-Q105 PolarHBondContact O-N 2.88Å; Q103-S106 PolarHBondContact O-N 2.73Å; Q103-S106 VanDerWaalsContact O-N 3.15Å; Q103-H109 HydrophobicContact CG-CB 4.3Å; Q103-G111 PolarHBondContact NE2-O 3.19Å; Q103-H112 PolarHBondContact NE2-CE1 3.13Å; Q103-H112 VanDerWaalsContact NE2-CE1 3.34Å
104T96.9Very high96.8Very high99 Ų9955.5 Ų55.561%0.60730%0.304SS*.SBendtrans-56.3-28.8-17553.60000113.3S99 S102S99-T104 PolarHBondContact O-N 2.78Å; S99-T104 PolarHBondContact O-OG1 3Å; S102-T104 VanDerWaalsContact C-N 3.27Å; S102-T104 PolarHBondContact O-N 2.71Å; S102-T104 VanDerWaalsContact OG-CG2 3.31Å; S102-T104 WeakPolarHBondContact OG-CG2 3.4Å
105Q96Very high96.7Very high30 Ų3052 Ų5214%0.1429%0.285CS..SBendtrans-109.478.2168.4-168-174.721.100110.3Q103 I107 H108 H109Q103-Q105 CarbonylContact O-C 3.6Å; Q103-Q105 PolarHBondContact O-N 2.88Å; Q105-I107 HydrophobicContact CG-CG1 3.83Å; Q105-I107 PolarHBondContact O-N 3.37Å; Q105-H108 VanDerWaalsContact O-CB 3.27Å; Q105-H108 WeakPolarHBondContact O-CB 3.48Å; Q105-H108 PolarHBondContact O-N 3.14Å; Q105-H109 PolarHBondContact O-CD2 2.63Å
106S96.5Very high96.7Very high82 Ų8252.6 Ų52.657%0.57329%0.289SS*.G310 helixtrans-47.1-38.6-175.159.10000114.8Q103 H108 H109Q103-S106 PolarHBondContact O-N 2.73Å; Q103-S106 VanDerWaalsContact O-N 3.15Å; S106-H108 PolarHBondContact O-N 2.67Å; S106-H108 VanDerWaalsContact O-N 3.14Å; S106-H109 PolarHBondContact O-N 3.43Å
107I96.5Very high96.6Very high83 Ų8351.8 Ų51.843%0.42629%0.286SS..G310 helixtrans-64.3-16.1179.363.1164.1000114.7V63 K68 A69 Q105V63-I107 WeakPolarHBondContact CG1-O 3.28Å; K68-I107 HydrophobicContact CD-CD1 4.06Å; K68-I107 HydrophobicContact CG-CD1 4.35Å; A69-I107 HydrophobicContact CB-CD1 3.86Å; A69-I107 HydrophobicContact CB-CG1 3.87Å; Q105-I107 HydrophobicContact CG-CG1 3.83Å; Q105-I107 PolarHBondContact O-N 3.37Å
108H97.1Very high96.6Very high0 Ų050.3 Ų50.30%028%0.278CS..G310 helixtrans-77.4-26.6173.7178.463.2000112T62 V63 A69 C71 R95 F100 Q105 S106T62-H108 CarbonylContact C-O 3.59Å; T62-H108 VanDerWaalsContact CA-O 3.25Å; T62-H108 WeakPolarHBondContact CA-O 3.29Å; T62-H108 VanDerWaalsContact CB-O 3.29Å; T62-H108 WeakPolarHBondContact CB-O 2.96Å; T62-H108 WeakPolarHBondContact CG2-NE2 3.44Å; V63-H108 PolarHBondContact N-O 2.65Å; A69-H108 HydrophobicContact CB-CB 4.1Å; A69-H108 PolarHBondContact O-ND1 3.25Å; C71-H108 PolarHBondContact O-CE1 3.11Å; R95-H108 VanDerWaalsContact CZ-CD2 3.48Å; R95-H108 VanDerWaalsContact CZ-CG 3.42Å; R95-H108 PolarHBondContact NE-NE2 3.3Å; R95-H108 VanDerWaalsContact NH2-CG 3.27Å; R95-H108 PolarHBondContact NH2-ND1 2.84Å; F100-H108 AromaticContact CE2-NE2 3.94Å; Q105-H108 VanDerWaalsContact O-CB 3.27Å; Q105-H108 WeakPolarHBondContact O-CB 3.48Å; Q105-H108 PolarHBondContact O-N 3.14Å; S106-H108 PolarHBondContact O-N 2.67Å; S106-H108 VanDerWaalsContact O-N 3.14Å
109H97Very high96.4Very high11 Ų1148.7 Ų48.75%0.05127%0.274CS..BIsolated β-bridgetrans-97150.2-172.3-60.1-90.5000110.9F100 Q103 Q105 S106F100-H109 AromaticContact CD1-CE1 3.99Å; F100-H109 AromaticContact CD2-CE1 3.56Å; F100-H109 AromaticContact CE2-CE1 3.6Å; F100-H109 AromaticContact CG-CE1 3.77Å; F100-H109 AromaticContact CZ-CE1 3.83Å; F100-H109 AromaticContact CZ-ND1 3.93Å; F100-H109 PolarHBondContact O-CE1 2.98Å; Q103-H109 HydrophobicContact CG-CB 4.3Å; Q105-H109 PolarHBondContact O-CD2 2.63Å; S106-H109 PolarHBondContact O-N 3.43Å
110Q94.6Very high96.3Very high124 Ų12448.5 Ų48.558%0.57927%0.271SS*.SBendtrans-107.50.3169-63.1-64.5-75.700111.9Y61Y61-Q110 HydrophobicContact CD1-CB 4.09Å; Y61-Q110 VanDerWaalsContact CE1-C 3.47Å; Y61-Q110 HydrophobicContact CE1-CB 4.15Å; Y61-Q110 WeakPolarHBondContact CE1-O 3.38Å; Y61-Q110 HydrophobicContact CG-CB 4.49Å; Y61-Q110 PolarHBondContact O-N 3.36Å
111G94.5Very high96.3Very high23 Ų2350.9 Ų50.924%0.23728%0.284CS..SBendtrans144.9-154.1-176.300000109.1Q103Q103-G111 PolarHBondContact NE2-O 3.19Å
112H95.2Very high96.3Very high106 Ų10647.6 Ų47.649%0.49127%0.272SS..  trans-100.4134.3175.5-68.6-79.5000112.1N15 Q103 E116N15-H112 PolarHBondContact ND2-O 3.26Å; Q103-H112 PolarHBondContact NE2-CE1 3.13Å; Q103-H112 VanDerWaalsContact NE2-CE1 3.34Å; H112-E116 WeakPolarHBondContact CA-OE1 3.27Å; H112-E116 IonicContact CE1-OE2 3.76Å; H112-E116 IonicContact CG-OE1 3.84Å; H112-E116 IonicContact CG-OE2 3.92Å; H112-E116 IonicContact ND1-OE1 3.39Å; H112-E116 PolarHBondContact ND1-OE1 2.99Å; H112-E116 IonicContact ND1-OE2 2.88Å; H112-E116 PolarHBondContact ND1-OE2 3.16Å
113S95.5Very high96.2Very high4 Ų444.6 Ų44.63%0.02825%0.251CS..  trans-77.4141.9169.5175.20000110.1V59 F115 E116V59-S113 WeakPolarHBondContact O-CB 3.43Å; V59-S113 PolarHBondContact O-OG 3.31Å; S113-F115 PolarHBondContact O-N 3.21Å; S113-F115 WeakPolarHBondContact OG-CB 3.37Å; S113-F115 PolarHBondContact OG-N 3.39Å; S113-F115 VanDerWaalsContact OG-N 3.11Å; S113-E116 PolarHBondContact N-OE1 3.46Å; S113-E116 VanDerWaalsContact O-CB 3.27Å; S113-E116 WeakPolarHBondContact O-CB 3.43Å; S113-E116 PolarHBondContact O-N 3.14Å
114L95.9Very high96.2Very high58 Ų5844.2 Ų44.230%0.30425%0.253SS..G310 helixtrans-60.6-23.8170.2-73.9-175.7000112.9N15 A19 I22 E116 S117N15-L114 HydrophobicContact CB-CD1 3.96Å; N15-L114 HydrophobicContact CB-CG 3.88Å; N15-L114 WeakPolarHBondContact O-CD1 3.34Å; N15-L114 PolarHBondContact OD1-N 3.48Å; A19-L114 HydrophobicContact CB-CD1 3.95Å; I22-L114 HydrophobicContact CD1-CB 3.4Å; I22-L114 VanDerWaalsContact CD1-CB 3.4Å; I22-L114 HydrophobicContact CD1-CD1 4.3Å; I22-L114 HydrophobicContact CG2-CB 4.18Å; L114-E116 PolarHBondContact O-N 2.91Å; L114-S117 WeakPolarHBondContact O-CB 3.03Å; L114-S117 PolarHBondContact O-N 3.44Å; L114-S117 PolarHBondContact O-OG 2.97Å
115F96.8Very high96.3Very high17 Ų1740 Ų408%0.07523%0.227CC..G310 helixtrans-63-21.6173.1-81.5-91.3000112.8F14 I22 L46 V49 V59 S113 S117 L118 I120 M122 F126F14-F115 AromaticContact CE1-CE2 3.86Å; F14-F115 HydrophobicContact CE1-CE2 3.86Å; F14-F115 HydrophobicContact CZ-CE2 4.35Å; I22-F115 HydrophobicContact CD1-CD2 3.62Å; I22-F115 HydrophobicContact CD1-CE2 3.59Å; I22-F115 HydrophobicContact CD1-CG 4.26Å; I22-F115 HydrophobicContact CD1-CZ 4.22Å; I22-F115 HydrophobicContact CG1-CD2 4.46Å; I22-F115 HydrophobicContact CG1-CE2 4.17Å; I22-F115 HydrophobicContact CG1-CZ 4.31Å; L46-F115 HydrophobicContact CD2-CD1 4.4Å; L46-F115 HydrophobicContact CD2-CE1 4.04Å; V49-F115 HydrophobicContact CG1-CZ 4.47Å; V49-F115 HydrophobicContact CG2-CD1 4.3Å; V49-F115 HydrophobicContact CG2-CE1 3.71Å; V49-F115 HydrophobicContact CG2-CZ 4.33Å; V59-F115 HydrophobicContact CG1-CD2 3.64Å; V59-F115 HydrophobicContact CG1-CE2 3.44Å; V59-F115 VanDerWaalsContact CG1-CE2 3.44Å; V59-F115 HydrophobicContact CG1-CG 4.46Å; V59-F115 HydrophobicContact CG1-CZ 4.12Å; S113-F115 PolarHBondContact O-N 3.21Å; S113-F115 WeakPolarHBondContact OG-CB 3.37Å; S113-F115 PolarHBondContact OG-N 3.39Å; S113-F115 VanDerWaalsContact OG-N 3.11Å; F115-S117 PolarHBondContact O-N 3.37Å; F115-L118 HydrophobicContact CD1-CD1 3.74Å; F115-L118 HydrophobicContact CE1-CD1 4.18Å; F115-L118 WeakPolarHBondContact O-CB 3.4Å; F115-L118 PolarHBondContact O-N 3.09Å; F115-L118 VanDerWaalsContact O-N 3.07Å; F115-I120 HydrophobicContact CB-CD1 4.29Å; F115-I120 HydrophobicContact CD1-CD1 3.88Å; F115-M122 HydrophobicContact CB-CE 3.92Å; F115-M122 HydrophobicContact CB-SD 3.94Å; F115-F126 HydrophobicContact CB-CZ 3.94Å; F115-F126 HydrophobicContact CD1-CE1 4.41Å; F115-F126 AromaticContact CD1-CZ 3.83Å; F115-F126 HydrophobicContact CD1-CZ 3.83Å; F115-F126 HydrophobicContact CG-CE1 4.45Å; F115-F126 AromaticContact CG-CZ 3.86Å; F115-F126 HydrophobicContact CG-CZ 3.86Å
116E97Very high96.4Very high26 Ų2638.6 Ų38.612%0.12122%0.22CC..G310 helixtrans-65.2-17.1172.4-64.3175.7-119.900111.9F100 R101 H112 S113 L114 L118 M122F100-E116 HydrophobicContact CE1-CG 4.32Å; R101-E116 PolarHBondContact NH1-O 3.41Å; H112-E116 WeakPolarHBondContact CA-OE1 3.27Å; H112-E116 IonicContact CE1-OE2 3.76Å; H112-E116 IonicContact CG-OE1 3.84Å; H112-E116 IonicContact CG-OE2 3.92Å; H112-E116 IonicContact ND1-OE1 3.39Å; H112-E116 PolarHBondContact ND1-OE1 2.99Å; H112-E116 IonicContact ND1-OE2 2.88Å; H112-E116 PolarHBondContact ND1-OE2 3.16Å; S113-E116 PolarHBondContact N-OE1 3.46Å; S113-E116 VanDerWaalsContact O-CB 3.27Å; S113-E116 WeakPolarHBondContact O-CB 3.43Å; S113-E116 PolarHBondContact O-N 3.14Å; L114-E116 PolarHBondContact O-N 2.91Å; E116-L118 PolarHBondContact O-N 3.4Å; E116-M122 HydrophobicContact CG-CE 3.82Å; E116-M122 HydrophobicContact CG-CG 4.01Å; E116-M122 HydrophobicContact CG-SD 3.97Å
117S95.7Very high96.4Very high53 Ų5334.7 Ų34.737%0.37119%0.193SC..G310 helixtrans-75.4-11.8173.872.50000113.9L114 F115L114-S117 WeakPolarHBondContact O-CB 3.03Å; L114-S117 PolarHBondContact O-N 3.44Å; L114-S117 PolarHBondContact O-OG 2.97Å; F115-S117 PolarHBondContact O-N 3.37Å
118L96.2Very high96.5Very high5 Ų530.8 Ų30.83%0.02617%0.173CC..SBendtrans-91.7152-177.9-58.4179.9000111.6I22 I25 K26 L46 R101 F115 E116 I120I22-L118 HydrophobicContact CG2-CD1 4.35Å; I22-L118 HydrophobicContact CG2-CD2 4.16Å; I22-L118 HydrophobicContact CG2-CG 4.18Å; I25-L118 HydrophobicContact CB-CD2 4.44Å; I25-L118 HydrophobicContact CG2-CD1 3.75Å; I25-L118 HydrophobicContact CG2-CD2 4.01Å; K26-L118 HydrophobicContact CB-CD2 3.56Å; K26-L118 HydrophobicContact CG-CD2 4.13Å; L46-L118 HydrophobicContact CD2-CD1 4.13Å; R101-L118 PolarHBondContact NH2-O 3.34Å; R101-L118 VanDerWaalsContact NH2-O 3.1Å; F115-L118 HydrophobicContact CD1-CD1 3.74Å; F115-L118 HydrophobicContact CE1-CD1 4.18Å; F115-L118 WeakPolarHBondContact O-CB 3.4Å; F115-L118 PolarHBondContact O-N 3.09Å; F115-L118 VanDerWaalsContact O-N 3.07Å; E116-L118 PolarHBondContact O-N 3.4Å; L118-I120 HydrophobicContact CB-CD1 4.19Å; L118-I120 HydrophobicContact CB-CG1 4.01Å; L118-I120 HydrophobicContact CB-CG2 4.16Å; L118-I120 HydrophobicContact CD1-CD1 4.26Å; L118-I120 PolarHBondContact O-N 3.14Å
119P94.5Very high96.5Very high89 Ų8930.9 Ų30.958%0.57817%0.174SC*.SBendtrans-77.858174.934.5-36.8000111.4
120I96.1Very high96.5Very high15 Ų1530.4 Ų30.48%0.07717%0.172CC..SBendtrans-125.9162.8-179.367.8177.2000111.1L46 R101 F115 L118 M122 T125 F126L46-I120 HydrophobicContact CB-CG2 4.2Å; L46-I120 HydrophobicContact CD2-CD1 4.27Å; L46-I120 HydrophobicContact CD2-CG2 4.42Å; R101-I120 PolarHBondContact NH2-O 3.03Å; F115-I120 HydrophobicContact CB-CD1 4.29Å; F115-I120 HydrophobicContact CD1-CD1 3.88Å; L118-I120 HydrophobicContact CB-CD1 4.19Å; L118-I120 HydrophobicContact CB-CG1 4.01Å; L118-I120 HydrophobicContact CB-CG2 4.16Å; L118-I120 HydrophobicContact CD1-CD1 4.26Å; L118-I120 PolarHBondContact O-N 3.14Å; I120-M122 HydrophobicContact CD1-SD 4.28Å; I120-M122 HydrophobicContact CG1-SD 4.25Å; I120-T125 HydrophobicContact CB-CG2 4.23Å; I120-T125 HydrophobicContact CD1-CG2 4.06Å; I120-T125 HydrophobicContact CG2-CG2 4.44Å; I120-F126 HydrophobicContact CD1-CE2 3.97Å; I120-F126 HydrophobicContact CD1-CZ 4.14Å
121D97.3Very high96.7Very high51 Ų5124.8 Ų24.827%0.27315%0.145SC..  trans-88.5114.9172.5178.2-30.2000109.3D97 T123 S124 T125D97-D121 HydrophobicContact CB-CB 4.46Å; D121-T123 PolarHBondContact O-N 2.81Å; D121-T123 VanDerWaalsContact OD1-CA 3.3Å; D121-T123 WeakPolarHBondContact OD1-CA 3.48Å; D121-T123 WeakPolarHBondContact OD1-CB 3.41Å; D121-T123 PolarHBondContact OD1-N 3.27Å; D121-T123 PolarHBondContact OD1-OG1 2.97Å; D121-S124 WeakPolarHBondContact CB-OG 3.47Å; D121-S124 PolarHBondContact OD1-N 3.15Å; D121-S124 PolarHBondContact OD2-OG 2.84Å; D121-T125 PolarHBondContact N-OG1 2.88Å; D121-T125 WeakPolarHBondContact O-CB 3.27Å; D121-T125 PolarHBondContact O-N 3.38Å; D121-T125 PolarHBondContact O-OG1 3.43Å
122M97.7Very high96.8Very high0 Ų026 Ų260%015%0.145CC..THydrogen-bonded Turntrans-65.8-6.7-177.3-68.6-58.2-61.400114R60 D97 F100 R101 F115 E116 I120 F126R60-M122 PolarHBondContact NE-O 3.45Å; R60-M122 PolarHBondContact NH2-O 3.07Å; D97-M122 WeakPolarHBondContact OD1-CB 2.97Å; D97-M122 PolarHBondContact OD1-N 3.49Å; F100-M122 HydrophobicContact CB-CB 4.31Å; F100-M122 HydrophobicContact CD1-CB 3.45Å; F100-M122 VanDerWaalsContact CD1-CB 3.45Å; F100-M122 HydrophobicContact CD1-CE 4.38Å; F100-M122 HydrophobicContact CD1-CG 3.91Å; F100-M122 HydrophobicContact CE1-CB 3.9Å; F100-M122 HydrophobicContact CE1-CE 3.71Å; F100-M122 HydrophobicContact CE1-CG 4.19Å; F100-M122 HydrophobicContact CG-CB 3.86Å; F100-M122 HydrophobicContact CZ-CE 4.23Å; R101-M122 HydrophobicContact CG-CG 4.37Å; F115-M122 HydrophobicContact CB-CE 3.92Å; F115-M122 HydrophobicContact CB-SD 3.94Å; E116-M122 HydrophobicContact CG-CE 3.82Å; E116-M122 HydrophobicContact CG-CG 4.01Å; E116-M122 HydrophobicContact CG-SD 3.97Å; I120-M122 HydrophobicContact CD1-SD 4.28Å; I120-M122 HydrophobicContact CG1-SD 4.25Å; M122-F126 HydrophobicContact CE-CE2 3.97Å; M122-F126 HydrophobicContact CE-CZ 4.2Å; M122-F126 WeakPolarHBondContact O-CD2 3.49Å; M122-F126 HydrophobicContact SD-CE2 3.9Å; M122-F126 HydrophobicContact SD-CZ 4.41Å
123T96.7Very high96.9Very high13 Ų1321.3 Ų21.38%0.0812%0.123CC..THydrogen-bonded Turntrans-103.3-64.8170.569.60000110.4R73 R95 D121 T125 F126R73-T123 VanDerWaalsContact NH1-C 3.26Å; R73-T123 PolarHBondContact NH1-O 3.38Å; R95-T123 HydrophobicContact CB-CG2 4.05Å; D121-T123 PolarHBondContact O-N 2.81Å; D121-T123 VanDerWaalsContact OD1-CA 3.3Å; D121-T123 WeakPolarHBondContact OD1-CA 3.48Å; D121-T123 WeakPolarHBondContact OD1-CB 3.41Å; D121-T123 PolarHBondContact OD1-N 3.27Å; D121-T123 PolarHBondContact OD1-OG1 2.97Å; T123-T125 PolarHBondContact O-N 2.7Å; T123-F126 PolarHBondContact O-N 2.9Å
124S96.9Very high97Very high40 Ų4021.1 Ų21.128%0.2812%0.122SC..THydrogen-bonded Turntrans-71.9-27.6-168.266.40000113.4D121 F126 H282D121-S124 WeakPolarHBondContact CB-OG 3.47Å; D121-S124 PolarHBondContact OD1-N 3.15Å; D121-S124 PolarHBondContact OD2-OG 2.84Å; S124-F126 PolarHBondContact O-N 3.21Å; S124-H282 PolarHBondContact O-CE1 2.87Å; S124-H282 PolarHBondContact O-NE2 2.82Å
125T97.9Very high97.1Very high10 Ų1018.3 Ų18.36%0.06111%0.107CC..THydrogen-bonded Turntrans-70.8-12.3175.5-58.30000113L46 A48 V49 I120 D121 T123 P127L46-T125 HydrophobicContact CG-CG2 4.34Å; A48-T125 CarbonylContact C-O 3.55Å; A48-T125 VanDerWaalsContact CA-O 3.28Å; A48-T125 WeakPolarHBondContact CA-O 3.44Å; V49-T125 HydrophobicContact CG2-CG2 4.34Å; V49-T125 PolarHBondContact N-O 3.42Å; I120-T125 HydrophobicContact CB-CG2 4.23Å; I120-T125 HydrophobicContact CD1-CG2 4.06Å; I120-T125 HydrophobicContact CG2-CG2 4.44Å; D121-T125 PolarHBondContact N-OG1 2.88Å; D121-T125 WeakPolarHBondContact O-CB 3.27Å; D121-T125 PolarHBondContact O-N 3.38Å; D121-T125 PolarHBondContact O-OG1 3.43Å; T123-T125 PolarHBondContact O-N 2.7Å; T125-P127 VanDerWaalsContact C-CD 3.49Å; T125-P127 WeakPolarHBondContact O-CD 3.34Å
126F98Very high97.1Very high0 Ų019.7 Ų19.70%012%0.115CC..SBendtrans-111.478180-63.5-91.9000110.5V49 V59 R60 R73 F115 I120 M122 T123 S124V49-F126 HydrophobicContact CB-CD1 3.65Å; V49-F126 HydrophobicContact CB-CE1 3.54Å; V49-F126 HydrophobicContact CB-CZ 4.34Å; V49-F126 HydrophobicContact CG1-CD1 3.99Å; V49-F126 HydrophobicContact CG1-CE1 3.72Å; V49-F126 HydrophobicContact CG2-CD1 4.35Å; V49-F126 HydrophobicContact CG2-CE1 3.82Å; V49-F126 HydrophobicContact CG2-CZ 4.15Å; V59-F126 HydrophobicContact CG1-CD1 4.36Å; V59-F126 HydrophobicContact CG1-CE1 3.57Å; V59-F126 HydrophobicContact CG1-CZ 4.41Å; R60-F126 HydrophobicContact CG-CD1 3.76Å; R60-F126 HydrophobicContact CG-CD2 4.32Å; R60-F126 HydrophobicContact CG-CE1 3.98Å; R60-F126 HydrophobicContact CG-CG 3.95Å; R60-F126 HydrophobicContact CG-CZ 4.35Å; R73-F126 PolarHBondContact NH2-O 2.99Å; F115-F126 HydrophobicContact CB-CZ 3.94Å; F115-F126 HydrophobicContact CD1-CE1 4.41Å; F115-F126 AromaticContact CD1-CZ 3.83Å; F115-F126 HydrophobicContact CD1-CZ 3.83Å; F115-F126 HydrophobicContact CG-CE1 4.45Å; F115-F126 AromaticContact CG-CZ 3.86Å; F115-F126 HydrophobicContact CG-CZ 3.86Å; I120-F126 HydrophobicContact CD1-CE2 3.97Å; I120-F126 HydrophobicContact CD1-CZ 4.14Å; M122-F126 HydrophobicContact CE-CE2 3.97Å; M122-F126 HydrophobicContact CE-CZ 4.2Å; M122-F126 WeakPolarHBondContact O-CD2 3.49Å; M122-F126 HydrophobicContact SD-CE2 3.9Å; M122-F126 HydrophobicContact SD-CZ 4.41Å; T123-F126 PolarHBondContact O-N 2.9Å; S124-F126 PolarHBondContact O-N 3.21Å
127P97.9Very high97.1Very high1 Ų119 Ų191%0.00612%0.116CC..  trans-65.2154-177.727.6-34.9000112.6A48 I50 R56 T125 D129 D278 Y288A48-P127 HydrophobicContact CB-CG 4.18Å; I50-P127 HydrophobicContact CG1-CG 4.18Å; R56-P127 PolarHBondContact NH1-O 2.83Å; T125-P127 VanDerWaalsContact C-CD 3.49Å; T125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-D129 PolarHBondContact O-N 3.43Å; P127-D278 HydrophobicContact CB-CB 4.31Å; P127-Y288 HydrophobicContact CB-CD2 3.56Å; P127-Y288 HydrophobicContact CB-CE2 3.97Å; P127-Y288 HydrophobicContact CB-CG 4.1Å; P127-Y288 HydrophobicContact CG-CD2 4.06Å; P127-Y288 HydrophobicContact CG-CG 4.32Å
128L97.8Very high97.2Very high0 Ų016.5 Ų16.50%010%0.098CC..BIsolated β-bridgetrans-79111.5172.3-60.2177.2000109.9D72 R73 P130 M133 H274 L275 D278 Y288D72-L128 HydrophobicContact CB-CD2 4.27Å; R73-L128 HydrophobicContact CG-CD1 4.11Å; L128-P130 VanDerWaalsContact O-CD 3.24Å; L128-P130 WeakPolarHBondContact O-CD 3.45Å; L128-P130 VanDerWaalsContact O-N 3.15Å; L128-M133 HydrophobicContact CB-CE 4.17Å; L128-M133 HydrophobicContact CB-SD 4.15Å; L128-M133 HydrophobicContact CD1-SD 4.17Å; L128-H274 HydrophobicContact CD1-CB 3.96Å; L128-L275 HydrophobicContact CB-CD2 4.36Å; L128-D278 WeakPolarHBondContact CB-OD2 3.2Å; L128-D278 WeakPolarHBondContact CG-OD2 3.37Å; L128-D278 PolarHBondContact N-OD2 3.43Å; L128-Y288 WeakPolarHBondContact O-CE2 3.35Å
129D97.3Very high97.3Very high3 Ų316.3 Ų16.32%0.01610%0.097CC..  trans-59.7116.3179.4168.547.4000111.9P127 M131 H132 M133 S289 E290P127-D129 PolarHBondContact O-N 3.43Å; D129-M131 VanDerWaalsContact C-N 3.25Å; D129-M131 PolarHBondContact O-N 3.49Å; D129-M131 WeakPolarHBondContact OD1-CB 3.39Å; D129-M131 PolarHBondContact OD1-N 3.25Å; D129-M131 WeakPolarHBondContact OD2-CB 3.35Å; D129-M131 PolarHBondContact OD2-N 3.02Å; D129-H132 WeakPolarHBondContact OD2-CB 3.35Å; D129-H132 IonicContact OD2-CG 2.77Å; D129-H132 PolarHBondContact OD2-N 3.18Å; D129-H132 IonicContact OD2-ND1 3.4Å; D129-H132 PolarHBondContact OD2-ND1 2.65Å; D129-M133 WeakPolarHBondContact O-CB 3.48Å; D129-M133 PolarHBondContact O-N 2.77Å; D129-S289 WeakPolarHBondContact OD1-CA 3.24Å; D129-E290 HydrophobicContact CB-CG 4.06Å; D129-E290 PolarHBondContact OD1-N 3.42Å
130P97.8Very high97.4Very high0 Ų014 Ų140%08%0.078CC..Hα-helixtrans-70.2-21.717927.7-33.6000112.7L128 V134 Y135 L285 Y288L128-P130 VanDerWaalsContact O-CD 3.24Å; L128-P130 WeakPolarHBondContact O-CD 3.45Å; L128-P130 VanDerWaalsContact O-N 3.15Å; P130-V134 HydrophobicContact CB-CG2 4.43Å; P130-V134 WeakPolarHBondContact O-CB 3.44Å; P130-V134 PolarHBondContact O-N 3.1Å; P130-Y135 HydrophobicContact CB-CE2 4.48Å; P130-Y135 PolarHBondContact O-N 3.26Å; P130-Y135 VanDerWaalsContact O-N 3.14Å; P130-L285 HydrophobicContact CB-CB 4.46Å; P130-L285 HydrophobicContact CB-CD2 4.22Å; P130-L285 HydrophobicContact CG-CB 4.15Å; P130-L285 HydrophobicContact CG-CD2 4.4Å; P130-L285 WeakPolarHBondContact CG-O 3.45Å; P130-Y288 HydrophobicContact CG-CE2 4.36Å
131M97.6Very high97.5Very high6 Ų615.9 Ų15.93%0.039%0.085CC..Iπ-helixtrans-65-54-178.9-176.2-171.673.600111.9D129 Y135 L136 A195 E290 F291 E294D129-M131 VanDerWaalsContact C-N 3.25Å; D129-M131 PolarHBondContact O-N 3.49Å; D129-M131 WeakPolarHBondContact OD1-CB 3.39Å; D129-M131 PolarHBondContact OD1-N 3.25Å; D129-M131 WeakPolarHBondContact OD2-CB 3.35Å; D129-M131 PolarHBondContact OD2-N 3.02Å; M131-Y135 HydrophobicContact CB-CD2 4.43Å; M131-Y135 WeakPolarHBondContact O-CB 3.46Å; M131-L136 PolarHBondContact O-N 3.25Å; M131-A195 HydrophobicContact CG-CB 3.49Å; M131-A195 VanDerWaalsContact CG-CB 3.49Å; M131-A195 HydrophobicContact SD-CB 4.01Å; M131-E290 HydrophobicContact CE-CB 3.58Å; M131-E290 HydrophobicContact SD-CB 4.38Å; M131-F291 HydrophobicContact CB-CD2 4.17Å; M131-F291 HydrophobicContact CB-CE2 4Å; M131-F291 HydrophobicContact CB-CZ 4.41Å; M131-F291 HydrophobicContact CG-CD1 4.18Å; M131-F291 HydrophobicContact CG-CD2 4.06Å; M131-F291 HydrophobicContact CG-CE1 3.9Å; M131-F291 HydrophobicContact CG-CE2 3.77Å; M131-F291 HydrophobicContact CG-CG 4.25Å; M131-F291 HydrophobicContact CG-CZ 3.69Å; M131-F291 HydrophobicContact SD-CB 4.35Å; M131-F291 HydrophobicContact SD-CD1 3.53Å; M131-F291 VanDerWaalsContact SD-CD1 3.53Å; M131-F291 HydrophobicContact SD-CD2 4.11Å; M131-F291 HydrophobicContact SD-CE1 3.76Å; M131-F291 HydrophobicContact SD-CE2 4.31Å; M131-F291 HydrophobicContact SD-CG 3.72Å; M131-F291 HydrophobicContact SD-CZ 4.16Å; M131-E294 HydrophobicContact CE-CB 4.39Å; M131-E294 HydrophobicContact CE-CG 3.65Å
132H97.3Very high97.5Very high50 Ų5013.5 Ų13.523%0.2317%0.072CC..Iπ-helixtrans-73-47178-74.3103.7000111.8D129 L136 G137 E290D129-H132 WeakPolarHBondContact OD2-CB 3.35Å; D129-H132 IonicContact OD2-CG 2.77Å; D129-H132 PolarHBondContact OD2-N 3.18Å; D129-H132 IonicContact OD2-ND1 3.4Å; D129-H132 PolarHBondContact OD2-ND1 2.65Å; H132-L136 WeakPolarHBondContact O-CB 3.33Å; H132-G137 PolarHBondContact O-N 3.16Å; H132-E290 IonicContact CE1-OE2 2.84Å; H132-E290 PolarHBondContact CE1-OE2 3.08Å; H132-E290 IonicContact ND1-OE2 2.78Å; H132-E290 PolarHBondContact ND1-OE2 3.16Å
133M97Very high97.6Very high6 Ų613.5 Ų13.53%0.037%0.072CC..Iπ-helixtrans-70.4-54.1-173.2-177.1-176.968.500112.5L128 D129 G137 V138 S271 P272 L275L128-M133 HydrophobicContact CB-CE 4.17Å; L128-M133 HydrophobicContact CB-SD 4.15Å; L128-M133 HydrophobicContact CD1-SD 4.17Å; D129-M133 WeakPolarHBondContact O-CB 3.48Å; D129-M133 PolarHBondContact O-N 2.77Å; M133-G137 CarbonylContact O-C 3.56Å; M133-G137 VanDerWaalsContact O-CA 3.24Å; M133-G137 WeakPolarHBondContact O-CA 3.4Å; M133-G137 PolarHBondContact O-N 3.02Å; M133-V138 WeakPolarHBondContact O-CG2 3.4Å; M133-V138 PolarHBondContact O-N 3.41Å; M133-S271 WeakPolarHBondContact SD-CB 3.44Å; M133-P272 HydrophobicContact CE-CG 4.22Å; M133-P272 HydrophobicContact SD-CG 4.45Å; M133-L275 HydrophobicContact CE-CD1 3.59Å; M133-L275 HydrophobicContact CE-CD2 3.6Å; M133-L275 HydrophobicContact CE-CG 3.6Å
134V98.4Very high97.6Very high0 Ų015.3 Ų15.30%08%0.084CC..Iπ-helixtrans-89.9-54.3-170.4-179.70000111.2P130 V138 T139 L202 M229 P272 L275P130-V134 HydrophobicContact CB-CG2 4.43Å; P130-V134 WeakPolarHBondContact O-CB 3.44Å; P130-V134 PolarHBondContact O-N 3.1Å; V134-V138 PolarHBondContact O-N 2.84Å; V134-T139 PolarHBondContact O-N 3.45Å; V134-T139 PolarHBondContact O-OG1 3.48Å; V134-L202 HydrophobicContact CG1-CD2 3.6Å; V134-M229 HydrophobicContact CB-SD 4.35Å; V134-M229 HydrophobicContact CG1-CG 3.7Å; V134-M229 HydrophobicContact CG1-SD 3.7Å; V134-M229 HydrophobicContact CG2-SD 3.86Å; V134-P272 HydrophobicContact CG2-CG 4.41Å; V134-L275 HydrophobicContact CG2-CD1 3.79Å
135Y97.5Very high97.6Very high0 Ų014.8 Ų14.80%08%0.076CC..Iπ-helixtrans-73.1-51.4-172.9-51.5-38.5000110.3P130 M131 T139 C198 R199 L202 L203 F291P130-Y135 HydrophobicContact CB-CE2 4.48Å; P130-Y135 PolarHBondContact O-N 3.26Å; P130-Y135 VanDerWaalsContact O-N 3.14Å; M131-Y135 HydrophobicContact CB-CD2 4.43Å; M131-Y135 WeakPolarHBondContact O-CB 3.46Å; Y135-T139 VanDerWaalsContact O-CB 3.22Å; Y135-T139 WeakPolarHBondContact O-CB 3.45Å; Y135-C198 WeakPolarHBondContact O-CB 3.27Å; Y135-C198 PolarHBondContact O-SG 3.28Å; Y135-R199 HydrophobicContact CD1-CB 4.07Å; Y135-R199 HydrophobicContact CD1-CG 4.29Å; Y135-R199 HydrophobicContact CD2-CB 3.92Å; Y135-R199 HydrophobicContact CD2-CG 4.16Å; Y135-R199 HydrophobicContact CE1-CB 4.3Å; Y135-R199 HydrophobicContact CE1-CG 3.99Å; Y135-R199 HydrophobicContact CE2-CB 4.23Å; Y135-R199 HydrophobicContact CE2-CG 3.92Å; Y135-R199 HydrophobicContact CG-CB 3.9Å; Y135-R199 HydrophobicContact CG-CG 4.39Å; Y135-L202 HydrophobicContact CD1-CD2 3.87Å; Y135-L202 HydrophobicContact CE1-CD2 4Å; Y135-L203 HydrophobicContact CE1-CD1 4.49Å; Y135-F291 AromaticContact CD2-CE2 3.65Å; Y135-F291 HydrophobicContact CD2-CE2 3.65Å; Y135-F291 AromaticContact CD2-CZ 3.86Å; Y135-F291 HydrophobicContact CD2-CZ 3.86Å; Y135-F291 AromaticContact CE2-CE2 3.72Å; Y135-F291 HydrophobicContact CE2-CE2 3.72Å; Y135-F291 HydrophobicContact CE2-CZ 4.34Å
136L97Very high97.6Very high45 Ų4514.3 Ų14.324%0.2367%0.073CC..Iπ-helixtrans-78.5-47.8176.9-72.8173.9000112.8M131 H132 K140 A195M131-L136 PolarHBondContact O-N 3.25Å; H132-L136 WeakPolarHBondContact O-CB 3.33Å; L136-K140 HydrophobicContact CD2-CD 4.26Å; L136-K140 WeakPolarHBondContact O-CB 3.44Å; L136-K140 WeakPolarHBondContact O-CD 3.05Å; L136-K140 VanDerWaalsContact O-CG 3.25Å; L136-K140 WeakPolarHBondContact O-CG 3.26Å; L136-A195 HydrophobicContact CD1-CB 4Å; L136-A195 HydrophobicContact CD2-CB 4.07Å; L136-A195 HydrophobicContact CG-CB 3.75Å
137G96.7Very high97.6Very high13 Ų1315.6 Ų15.613%0.1348%0.08CC..Iπ-helixtrans-69.7-75.4-174.600000112.2H132 M133 K141H132-G137 PolarHBondContact O-N 3.16Å; M133-G137 CarbonylContact O-C 3.56Å; M133-G137 VanDerWaalsContact O-CA 3.24Å; M133-G137 WeakPolarHBondContact O-CA 3.4Å; M133-G137 PolarHBondContact O-N 3.02Å; G137-K141 WeakPolarHBondContact O-CB 3.28Å; G137-K141 PolarHBondContact O-N 3.25Å; G137-K141 VanDerWaalsContact O-N 3.12Å
138V98.2Very high97.5Very high0 Ų019.4 Ų19.40%010%0.098CC..Iπ-helixtrans-65.4-47.1-172.9-175.50000112.6M133 V134 K141 L142 L225 F252 D268 P272M133-V138 WeakPolarHBondContact O-CG2 3.4Å; M133-V138 PolarHBondContact O-N 3.41Å; V134-V138 PolarHBondContact O-N 2.84Å; V138-K141 PolarHBondContact O-N 3.29Å; V138-L142 HydrophobicContact CG1-CD1 3.98Å; V138-L142 HydrophobicContact CG1-CG 4.24Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 3.22Å; V138-L225 HydrophobicContact CB-CD2 4.33Å; V138-L225 HydrophobicContact CG1-CD2 3.46Å; V138-L225 VanDerWaalsContact CG1-CD2 3.46Å; V138-F252 HydrophobicContact CG1-CZ 3.96Å; V138-D268 HydrophobicContact CG2-CB 4.37Å; V138-D268 WeakPolarHBondContact CG2-O 3.4Å; V138-P272 HydrophobicContact CG2-CG 4.11Å
139T98.3Very high97.5Very high0 Ų020.5 Ų20.50%010%0.103CC..Iπ-helixtrans-65.3-46.4-172.9-49.80000111.5V134 Y135 K141 L142 V143 C198 F201 L202V134-T139 PolarHBondContact O-N 3.45Å; V134-T139 PolarHBondContact O-OG1 3.48Å; Y135-T139 VanDerWaalsContact O-CB 3.22Å; Y135-T139 WeakPolarHBondContact O-CB 3.45Å; T139-K141 VanDerWaalsContact C-N 3.33Å; T139-K141 PolarHBondContact O-N 3.32Å; T139-L142 PolarHBondContact O-N 3.13Å; T139-V143 WeakPolarHBondContact O-CG2 3.43Å; T139-V143 PolarHBondContact O-N 3.4Å; T139-V143 VanDerWaalsContact O-N 3.15Å; T139-C198 HydrophobicContact CG2-CB 4.29Å; T139-F201 HydrophobicContact CG2-CD1 4.04Å; T139-L202 HydrophobicContact CG2-CB 4.19Å
140K97Very high97.5Very high42 Ų4220.5 Ų20.518%0.18311%0.105CC..Hα-helixtrans-62.7-42.3174.8-69.6-173.7163.9-169.60111.4L136 L142 V143 T144 V190 S191 W193L136-K140 HydrophobicContact CD2-CD 4.26Å; L136-K140 WeakPolarHBondContact O-CB 3.44Å; L136-K140 WeakPolarHBondContact O-CD 3.05Å; L136-K140 VanDerWaalsContact O-CG 3.25Å; L136-K140 WeakPolarHBondContact O-CG 3.26Å; K140-L142 VanDerWaalsContact C-N 3.34Å; K140-L142 PolarHBondContact O-N 2.98Å; K140-V143 PolarHBondContact O-N 3.04Å; K140-T144 WeakPolarHBondContact O-CB 3.49Å; K140-T144 PolarHBondContact O-N 3.02Å; K140-T144 PolarHBondContact O-OG1 3.34Å; K140-V190 HydrophobicContact CB-CG2 4.31Å; K140-V190 WeakPolarHBondContact CE-O 3.34Å; K140-V190 HydrophobicContact CG-CG2 4.31Å; K140-S191 PolarHBondContact NZ-O 2.75Å; K140-W193 WeakPolarHBondContact CE-O 3.4Å; K140-W193 PolarHBondContact NZ-O 3.4Å
141K97.2Very high97.4Very high53 Ų5327.7 Ų27.723%0.2314%0.138CC..Hα-helixtrans-59.1-45.4-179.4-166.6-177-17088.90111.6G137 V138 T139 T144 F145 Y256 V266 V269G137-K141 WeakPolarHBondContact O-CB 3.28Å; G137-K141 PolarHBondContact O-N 3.25Å; G137-K141 VanDerWaalsContact O-N 3.12Å; V138-K141 PolarHBondContact O-N 3.29Å; T139-K141 VanDerWaalsContact C-N 3.33Å; T139-K141 PolarHBondContact O-N 3.32Å; K141-T144 PolarHBondContact O-N 3.42Å; K141-F145 HydrophobicContact CD-CE2 4.18Å; K141-F145 HydrophobicContact CG-CD2 4.14Å; K141-F145 HydrophobicContact CG-CE2 3.71Å; K141-F145 VanDerWaalsContact O-CD2 3.25Å; K141-F145 WeakPolarHBondContact O-CD2 3.26Å; K141-F145 PolarHBondContact O-N 2.85Å; K141-Y256 WeakPolarHBondContact CD-OH 3.45Å; K141-Y256 WeakPolarHBondContact CE-OH 3.37Å; K141-V266 HydrophobicContact CD-CG2 4.29Å; K141-V269 HydrophobicContact CD-CG2 3.81Å
142L98.3Very high97.4Very high1 Ų134 Ų341%0.00517%0.165CC..Hα-helixtrans-59.4-48.3175.4-73175.4000111.8V138 T139 K140 T144 F145 W146 F222 L225 F252 Y256 Y260V138-L142 HydrophobicContact CG1-CD1 3.98Å; V138-L142 HydrophobicContact CG1-CG 4.24Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 3.22Å; T139-L142 PolarHBondContact O-N 3.13Å; K140-L142 VanDerWaalsContact C-N 3.34Å; K140-L142 PolarHBondContact O-N 2.98Å; L142-T144 PolarHBondContact O-N 3.08Å; L142-F145 WeakPolarHBondContact O-CB 3.31Å; L142-F145 PolarHBondContact O-N 3.26Å; L142-W146 HydrophobicContact CB-CZ2 3.9Å; L142-W146 PolarHBondContact O-N 2.97Å; L142-W146 PolarHBondContact O-NE1 3.13Å; L142-F222 HydrophobicContact CD1-CD2 4.13Å; L142-L225 HydrophobicContact CD1-CD2 3.82Å; L142-F252 HydrophobicContact CD1-CE2 4.49Å; L142-Y256 HydrophobicContact CD2-CD2 3.98Å; L142-Y256 HydrophobicContact CD2-CE2 3.62Å; L142-Y256 HydrophobicContact CG-CE2 4.45Å; L142-Y260 HydrophobicContact CD2-CD2 4.09Å; L142-Y260 HydrophobicContact CD2-CE1 4.33Å; L142-Y260 HydrophobicContact CD2-CE2 3.4Å
143V98.1Very high97.3Very high0 Ų041 Ų410%019%0.189CC..Hα-helixtrans-62.3-45.3179.3170.40000111.5T139 K140 F145 W146 I147 L187 V190 W193 F201T139-V143 WeakPolarHBondContact O-CG2 3.43Å; T139-V143 PolarHBondContact O-N 3.4Å; T139-V143 VanDerWaalsContact O-N 3.15Å; K140-V143 PolarHBondContact O-N 3.04Å; V143-F145 VanDerWaalsContact C-N 3.3Å; V143-F145 PolarHBondContact O-N 3.4Å; V143-W146 HydrophobicContact CB-CE3 4.5Å; V143-W146 HydrophobicContact CG2-CE3 4.12Å; V143-W146 HydrophobicContact CG2-CH2 4.48Å; V143-W146 HydrophobicContact CG2-CZ3 3.84Å; V143-W146 PolarHBondContact O-N 3.5Å; V143-W146 VanDerWaalsContact O-N 3.11Å; V143-I147 HydrophobicContact CG1-CD1 4.06Å; V143-I147 WeakPolarHBondContact O-CG1 3.32Å; V143-I147 PolarHBondContact O-N 3.29Å; V143-L187 HydrophobicContact CG1-CB 4.22Å; V143-L187 HydrophobicContact CG1-CD1 4.4Å; V143-L187 HydrophobicContact CG1-CD2 3.68Å; V143-L187 HydrophobicContact CG1-CG 4.3Å; V143-L187 HydrophobicContact CG2-CD2 4.43Å; V143-V190 HydrophobicContact CB-CG2 3.85Å; V143-V190 HydrophobicContact CG1-CB 3.83Å; V143-V190 HydrophobicContact CG1-CG1 4.31Å; V143-V190 HydrophobicContact CG1-CG2 3.5Å; V143-W193 HydrophobicContact CG2-CH2 4.3Å; V143-W193 HydrophobicContact CG2-CZ3 4.09Å; V143-F201 HydrophobicContact CG2-CD1 4.47Å; V143-F201 HydrophobicContact CG2-CE1 3.92Å; V143-F201 HydrophobicContact CG2-CZ 4.43Å
144T97.4Very high97.3Very high51 Ų5145 Ų4531%0.31321%0.21SC..Hα-helixtrans-57.9-43.5175.8-61.50000110.9K140 K141 L142 W146 I147 E148K140-T144 WeakPolarHBondContact O-CB 3.49Å; K140-T144 PolarHBondContact O-N 3.02Å; K140-T144 PolarHBondContact O-OG1 3.34Å; K141-T144 PolarHBondContact O-N 3.42Å; L142-T144 PolarHBondContact O-N 3.08Å; T144-W146 VanDerWaalsContact C-N 3.33Å; T144-W146 PolarHBondContact O-N 3.04Å; T144-I147 PolarHBondContact O-N 3.35Å; T144-E148 HydrophobicContact CG2-CG 4.48Å; T144-E148 WeakPolarHBondContact O-CG 3.32Å; T144-E148 PolarHBondContact O-N 3.07Å
145F97.1Very high97.1Very high29 Ų2950.7 Ų50.713%0.12724%0.235CC..Hα-helixtrans-59.4-42.9174.5-83.8-50.6000112.7K141 L142 V143 I147 E148 L149 Y256 Y260 N264K141-F145 HydrophobicContact CD-CE2 4.18Å; K141-F145 HydrophobicContact CG-CD2 4.14Å; K141-F145 HydrophobicContact CG-CE2 3.71Å; K141-F145 VanDerWaalsContact O-CD2 3.25Å; K141-F145 WeakPolarHBondContact O-CD2 3.26Å; K141-F145 PolarHBondContact O-N 2.85Å; L142-F145 WeakPolarHBondContact O-CB 3.31Å; L142-F145 PolarHBondContact O-N 3.26Å; V143-F145 VanDerWaalsContact C-N 3.3Å; V143-F145 PolarHBondContact O-N 3.4Å; F145-I147 VanDerWaalsContact C-N 3.31Å; F145-I147 PolarHBondContact O-N 2.88Å; F145-E148 PolarHBondContact O-N 3.29Å; F145-L149 WeakPolarHBondContact O-CB 3.43Å; F145-L149 WeakPolarHBondContact O-CG 3.41Å; F145-L149 PolarHBondContact O-N 3.27Å; F145-Y256 WeakPolarHBondContact CE2-OH 2.94Å; F145-Y260 HydrophobicContact CB-CD1 3.96Å; F145-Y260 HydrophobicContact CB-CE1 4.17Å; F145-Y260 AromaticContact CD2-CD1 3.97Å; F145-Y260 HydrophobicContact CD2-CD1 3.97Å; F145-Y260 HydrophobicContact CD2-CG 4.2Å; F145-Y260 AromaticContact CG-CD1 4Å; F145-Y260 HydrophobicContact CG-CD1 4Å; F145-N264 HydrophobicContact CE2-CB 4.07Å; F145-N264 HydrophobicContact CZ-CB 3.75Å; F145-N264 WeakPolarHBondContact CZ-OD1 3.35Å
146W98.2Very high97Very high0 Ų057.4 Ų57.40%027%0.271CS..Hα-helixtrans-64.2-40.2179.8-52.7-20.8000111.4L142 V143 T144 L149 G150 V157 I162 F201 L210 L214 F222 Y260L142-W146 HydrophobicContact CB-CZ2 3.9Å; L142-W146 PolarHBondContact O-N 2.97Å; L142-W146 PolarHBondContact O-NE1 3.13Å; V143-W146 HydrophobicContact CB-CE3 4.5Å; V143-W146 HydrophobicContact CG2-CE3 4.12Å; V143-W146 HydrophobicContact CG2-CH2 4.48Å; V143-W146 HydrophobicContact CG2-CZ3 3.84Å; V143-W146 PolarHBondContact O-N 3.5Å; V143-W146 VanDerWaalsContact O-N 3.11Å; T144-W146 VanDerWaalsContact C-N 3.33Å; T144-W146 PolarHBondContact O-N 3.04Å; W146-L149 PolarHBondContact O-N 3.09Å; W146-G150 PolarHBondContact O-N 3.34Å; W146-V157 WeakPolarHBondContact O-CG1 3.43Å; W146-I162 HydrophobicContact CB-CD1 4.37Å; W146-F201 HydrophobicContact CH2-CE1 4.33Å; W146-F201 HydrophobicContact CZ3-CE1 4.05Å; W146-F201 HydrophobicContact CZ3-CZ 4.05Å; W146-L210 HydrophobicContact CH2-CD1 3.58Å; W146-L210 HydrophobicContact CZ3-CD1 3.66Å; W146-L210 HydrophobicContact CZ3-CD2 4.24Å; W146-L214 HydrophobicContact CB-CD1 4.35Å; W146-L214 HydrophobicContact CD2-CD1 3.96Å; W146-L214 HydrophobicContact CD2-CD2 4Å; W146-L214 HydrophobicContact CE3-CD1 4.34Å; W146-L214 HydrophobicContact CE3-CD2 4.32Å; W146-L214 HydrophobicContact CG-CD1 3.94Å; W146-L214 HydrophobicContact CH2-CD2 4.06Å; W146-L214 HydrophobicContact CZ2-CD2 3.73Å; W146-L214 HydrophobicContact CZ3-CD2 4.34Å; W146-F222 HydrophobicContact CH2-CB 4.21Å; W146-F222 AromaticContact CH2-CD2 3.48Å; W146-F222 HydrophobicContact CH2-CD2 3.48Å; W146-F222 VanDerWaalsContact CH2-CD2 3.48Å; W146-F222 AromaticContact CH2-CE2 3.94Å; W146-F222 HydrophobicContact CH2-CE2 3.94Å; W146-F222 AromaticContact CH2-CG 3.82Å; W146-F222 HydrophobicContact CH2-CG 3.82Å; W146-F222 HydrophobicContact CZ2-CB 3.95Å; W146-F222 AromaticContact CZ2-CD2 3.83Å; W146-F222 HydrophobicContact CZ2-CD2 3.83Å; W146-F222 HydrophobicContact CZ2-CG 4.05Å; W146-Y260 AromaticContact NE1-CE1 3.87Å; W146-Y260 AromaticContact NE1-CZ 3.85Å; W146-Y260 PolarHBondContact NE1-OH 3.26Å; W146-Y260 VanDerWaalsContact NE1-OH 3.13Å
147I97.6Very high96.9Very high28 Ų2855.4 Ų55.414%0.14426%0.261CS..Hα-helixtrans-60-51.6174.5-64.8166.9000109.8V143 T144 F145 L149 G150 H151 L187 V190V143-I147 HydrophobicContact CG1-CD1 4.06Å; V143-I147 WeakPolarHBondContact O-CG1 3.32Å; V143-I147 PolarHBondContact O-N 3.29Å; T144-I147 PolarHBondContact O-N 3.35Å; F145-I147 VanDerWaalsContact C-N 3.31Å; F145-I147 PolarHBondContact O-N 2.88Å; I147-L149 PolarHBondContact O-N 3.29Å; I147-G150 CarbonylContact O-C 3.59Å; I147-G150 WeakPolarHBondContact O-CA 3.29Å; I147-G150 PolarHBondContact O-N 3.19Å; I147-H151 WeakPolarHBondContact CG2-NE2 3.46Å; I147-H151 PolarHBondContact O-CD2 3.21Å; I147-H151 PolarHBondContact O-N 3Å; I147-L187 HydrophobicContact CD1-CB 4.02Å; I147-L187 WeakPolarHBondContact CD1-O 3.46Å; I147-L187 HydrophobicContact CG1-CB 4.25Å; I147-V190 HydrophobicContact CD1-CB 4.36Å; I147-V190 HydrophobicContact CD1-CG1 3.6Å
148E96.5Very high96.9Very high81 Ų8157.6 Ų57.638%0.37927%0.269SS..Hα-helixtrans-58.8-44.6178.4-72.7179.9-165.800112.9T144 F145 G150 H151 K152T144-E148 HydrophobicContact CG2-CG 4.48Å; T144-E148 WeakPolarHBondContact O-CG 3.32Å; T144-E148 PolarHBondContact O-N 3.07Å; F145-E148 PolarHBondContact O-N 3.29Å; E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 3.28Å; E148-H151 PolarHBondContact O-N 3.18Å; E148-K152 WeakPolarHBondContact O-CB 3.48Å; E148-K152 WeakPolarHBondContact O-CG 3.45Å; E148-K152 PolarHBondContact O-N 3.3Å
149L97Very high96.8Very high22 Ų2260.8 Ų60.812%0.11529%0.292CS..Hα-helixtrans-60.1-38.9173.9-71.5171.6000110.9F145 W146 I147 K152 R153 L154 K155 V157 L218F145-L149 WeakPolarHBondContact O-CB 3.43Å; F145-L149 WeakPolarHBondContact O-CG 3.41Å; F145-L149 PolarHBondContact O-N 3.27Å; W146-L149 PolarHBondContact O-N 3.09Å; I147-L149 PolarHBondContact O-N 3.29Å; L149-K152 CarbonylContact O-C 3.43Å; L149-K152 PolarHBondContact O-N 3.38Å; L149-R153 WeakPolarHBondContact O-CA 3.41Å; L149-R153 PolarHBondContact O-N 3.09Å; L149-L154 HydrophobicContact CD2-CB 3.71Å; L149-L154 HydrophobicContact CD2-CD1 4.48Å; L149-L154 PolarHBondContact O-N 3.4Å; L149-K155 HydrophobicContact CD1-CB 4.43Å; L149-K155 HydrophobicContact CD1-CG 4.49Å; L149-K155 HydrophobicContact CD2-CB 4.44Å; L149-K155 HydrophobicContact CD2-CG 4.04Å; L149-V157 HydrophobicContact CB-CB 3.93Å; L149-V157 HydrophobicContact CB-CG1 4.43Å; L149-V157 HydrophobicContact CB-CG2 4.04Å; L149-V157 HydrophobicContact CD1-CG2 4.35Å; L149-L218 HydrophobicContact CD1-CD1 4.01Å
150G97.2Very high96.7Very high4 Ų463.8 Ų63.84%0.04131%0.312CS..Hα-helixtrans-63.8-41.3175.400000113.5W146 I147 E148 R153W146-G150 PolarHBondContact O-N 3.34Å; I147-G150 CarbonylContact O-C 3.59Å; I147-G150 WeakPolarHBondContact O-CA 3.29Å; I147-G150 PolarHBondContact O-N 3.19Å; E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 3.28Å; G150-R153 PolarHBondContact O-N 3.41Å
151H96.4Very high96.7Very high150 Ų15062.8 Ų62.869%0.69431%0.309SS*.Hα-helixtrans-65.2-43.7173.4-72.3-75.9000111.8I147 E148 R153I147-H151 WeakPolarHBondContact CG2-NE2 3.46Å; I147-H151 PolarHBondContact O-CD2 3.21Å; I147-H151 PolarHBondContact O-N 3Å; E148-H151 PolarHBondContact O-N 3.18Å; H151-R153 VanDerWaalsContact C-N 3.29Å; H151-R153 PolarHBondContact O-N 3.34Å
152K96.5Very high96.8Very high140 Ų14061 Ų6161%0.60930%0.302SS*.Hα-helixtrans-79.3-8-179.8-65.6174.5-179.3171.20113.7E148 L149 L154E148-K152 WeakPolarHBondContact O-CB 3.48Å; E148-K152 WeakPolarHBondContact O-CG 3.45Å; E148-K152 PolarHBondContact O-N 3.3Å; L149-K152 CarbonylContact O-C 3.43Å; L149-K152 PolarHBondContact O-N 3.38Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 HydrophobicContact CB-CD1 3.82Å; K152-L154 HydrophobicContact CB-CG 3.86Å; K152-L154 HydrophobicContact CD-CD1 4.17Å; K152-L154 PolarHBondContact O-N 2.92Å
153R95.8Very high96.7Very high196 Ų19668.3 Ų68.374%0.7433%0.33SS*.THydrogen-bonded Turntrans5640.8-174.4-65.3176139.8170.9-5.5113.6L149 G150 H151 V157 N158L149-R153 WeakPolarHBondContact O-CA 3.41Å; L149-R153 PolarHBondContact O-N 3.09Å; G150-R153 PolarHBondContact O-N 3.41Å; H151-R153 VanDerWaalsContact C-N 3.29Å; H151-R153 PolarHBondContact O-N 3.34Å; R153-V157 CarbonylContact C-O 3.07Å; R153-V157 VanDerWaalsContact CA-O 3.3Å; R153-V157 WeakPolarHBondContact CA-O 3.4Å; R153-N158 HydrophobicContact CG-CB 4.42Å
154L95.9Very high96.7Very high89 Ų8970.5 Ų70.547%0.46635%0.345SS..  trans-104.8157.6-177.2-67.1176.5000112.2L149 K152 N156 V157L149-L154 HydrophobicContact CD2-CB 3.71Å; L149-L154 HydrophobicContact CD2-CD1 4.48Å; L149-L154 PolarHBondContact O-N 3.4Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 HydrophobicContact CB-CD1 3.82Å; K152-L154 HydrophobicContact CB-CG 3.86Å; K152-L154 HydrophobicContact CD-CD1 4.17Å; K152-L154 PolarHBondContact O-N 2.92Å; L154-N156 PolarHBondContact O-N 3.13Å; L154-N156 VanDerWaalsContact O-N 3.13Å; L154-V157 PolarHBondContact O-N 3.4Å
155K94Very high96.7Very high120 Ų12068 Ų6852%0.52233%0.33SS..THydrogen-bonded Turntrans52.435176.2-58.7-74.5-171.1173.40113L149 V157 P215L149-K155 HydrophobicContact CD1-CB 4.43Å; L149-K155 HydrophobicContact CD1-CG 4.49Å; L149-K155 HydrophobicContact CD2-CB 4.44Å; L149-K155 HydrophobicContact CD2-CG 4.04Å; K155-V157 PolarHBondContact O-N 2.96Å; K155-P215 WeakPolarHBondContact O-CG 3.43Å
156N95.5Very high96.7Very high142 Ų14267.4 Ų67.476%0.75933%0.328SS*.THydrogen-bonded Turntrans60.718.5-175.8-56.9-26.7000114.8L154 P215L154-N156 PolarHBondContact O-N 3.13Å; L154-N156 VanDerWaalsContact O-N 3.13Å; N156-P215 HydrophobicContact CB-CB 4.39Å; N156-P215 HydrophobicContact CB-CG 4.07Å; N156-P215 WeakPolarHBondContact O-CG 3.38Å
157V96.5Very high96.6Very high2 Ų273.5 Ų73.51%0.01235%0.354CS..  trans-94.4135.9169.8-1670000108.6W146 L149 R153 L154 K155 V161 I162 P215 L218W146-V157 WeakPolarHBondContact O-CG1 3.43Å; L149-V157 HydrophobicContact CB-CB 3.93Å; L149-V157 HydrophobicContact CB-CG1 4.43Å; L149-V157 HydrophobicContact CB-CG2 4.04Å; L149-V157 HydrophobicContact CD1-CG2 4.35Å; R153-V157 CarbonylContact C-O 3.07Å; R153-V157 VanDerWaalsContact CA-O 3.3Å; R153-V157 WeakPolarHBondContact CA-O 3.4Å; L154-V157 PolarHBondContact O-N 3.4Å; K155-V157 PolarHBondContact O-N 2.96Å; V157-V161 HydrophobicContact CG1-CB 4.35Å; V157-V161 HydrophobicContact CG1-CG1 4.27Å; V157-I162 HydrophobicContact CG1-CD1 4.05Å; V157-I162 HydrophobicContact CG1-CG1 4.45Å; V157-P215 HydrophobicContact CG2-CG 3.78Å; V157-L218 HydrophobicContact CG2-CD1 3.61Å
158N96.2Very high96.5Very high59 Ų5974 Ų7432%0.31636%0.357SS..  trans-144.2174.7174.262.550.2000110.1R153 C160 V161 I162R153-N158 HydrophobicContact CG-CB 4.42Å; N158-C160 PolarHBondContact O-N 2.91Å; N158-C160 VanDerWaalsContact O-N 3.14Å; N158-C160 WeakPolarHBondContact OD1-CA 3.31Å; N158-C160 WeakPolarHBondContact OD1-CB 3.25Å; N158-C160 PolarHBondContact OD1-N 3.45Å; N158-V161 WeakPolarHBondContact O-CB 3.31Å; N158-V161 PolarHBondContact O-N 3.24Å; N158-V161 PolarHBondContact OD1-N 3.12Å; N158-V161 VanDerWaalsContact OD1-N 3.12Å; N158-I162 PolarHBondContact O-N 3.1Å
159S95.5Very high96.5Very high68 Ų6870.2 Ų70.248%0.47634%0.339SS..Hα-helixtrans-59.9-24.2-179.761.20000114.4R163S159-R163 WeakPolarHBondContact O-CB 3.39Å; S159-R163 PolarHBondContact O-N 3.22Å
160C96.8Very high96.4Very high63 Ų6372.1 Ų72.143%0.42636%0.355SS..Hα-helixtrans-71.3-40.2174.1-167.40000111.5N158 R163 S164N158-C160 PolarHBondContact O-N 2.91Å; N158-C160 VanDerWaalsContact O-N 3.14Å; N158-C160 WeakPolarHBondContact OD1-CA 3.31Å; N158-C160 WeakPolarHBondContact OD1-CB 3.25Å; N158-C160 PolarHBondContact OD1-N 3.45Å; C160-R163 PolarHBondContact O-N 2.97Å; C160-S164 WeakPolarHBondContact O-CB 3.47Å; C160-S164 PolarHBondContact O-N 3.13Å; C160-S164 PolarHBondContact O-OG 3.48Å; C160-S164 VanDerWaalsContact O-OG 3.1Å
161V97.5Very high96.2Very high20 Ų2078.1 Ų78.112%0.12138%0.376CS..Hα-helixtrans-59-49.8173.8175.20000110.2V157 N158 R163 S164 I165 I213V157-V161 HydrophobicContact CG1-CB 4.35Å; V157-V161 HydrophobicContact CG1-CG1 4.27Å; N158-V161 WeakPolarHBondContact O-CB 3.31Å; N158-V161 PolarHBondContact O-N 3.24Å; N158-V161 PolarHBondContact OD1-N 3.12Å; N158-V161 VanDerWaalsContact OD1-N 3.12Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 3.03Å; V161-S164 WeakPolarHBondContact O-CB 3.43Å; V161-S164 PolarHBondContact O-N 2.9Å; V161-I165 HydrophobicContact CG1-CD1 4.08Å; V161-I165 WeakPolarHBondContact O-CG1 3.17Å; V161-I165 PolarHBondContact O-N 3.14Å; V161-I213 HydrophobicContact CG1-CG2 4.29Å; V161-I213 WeakPolarHBondContact CG1-O 3.31Å
162I97.9Very high96Very high15 Ų1571.4 Ų71.48%0.07735%0.346CS..Hα-helixtrans-60.4-44.2179-57.6-54.8000111.4W146 V157 N158 S164 I165 N166 L187W146-I162 HydrophobicContact CB-CD1 4.37Å; V157-I162 HydrophobicContact CG1-CD1 4.05Å; V157-I162 HydrophobicContact CG1-CG1 4.45Å; N158-I162 PolarHBondContact O-N 3.1Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 2.96Å; I162-I165 PolarHBondContact O-N 3.08Å; I162-N166 PolarHBondContact O-N 2.85Å; I162-L187 HydrophobicContact CD1-CD1 4.36Å; I162-L187 HydrophobicContact CG2-CD1 4.41Å
163R97.7Very high95.8Very high156 Ų15667.6 Ų67.659%0.58933%0.334SS*.Hα-helixtrans-61.4-40176.8-166-172-44.914010.3112.7S159 C160 V161 N166 K167S159-R163 WeakPolarHBondContact O-CB 3.39Å; S159-R163 PolarHBondContact O-N 3.22Å; C160-R163 PolarHBondContact O-N 2.97Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 3.03Å; R163-N166 PolarHBondContact O-N 3.37Å; R163-K167 PolarHBondContact O-N 3.13Å
164S97.2Very high95.5Very high45 Ų4566 Ų6632%0.31534%0.335SS..Hα-helixtrans-63.3-43.8175.6-68.70000111.4C160 V161 I162 K167 L168C160-S164 WeakPolarHBondContact O-CB 3.47Å; C160-S164 PolarHBondContact O-N 3.13Å; C160-S164 PolarHBondContact O-OG 3.48Å; C160-S164 VanDerWaalsContact O-OG 3.1Å; V161-S164 WeakPolarHBondContact O-CB 3.43Å; V161-S164 PolarHBondContact O-N 2.9Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 2.96Å; S164-K167 PolarHBondContact O-N 3.24Å; S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 2.79Å; S164-L168 VanDerWaalsContact O-N 3.09Å
165I97.2Very high95.2Very high0 Ų062.1 Ų62.10%032%0.315CS..Hα-helixtrans-61.9-46.9175.3-61166.5000110.4V161 I162 K167 L168 I169 L187 L210 I213 L214V161-I165 HydrophobicContact CG1-CD1 4.08Å; V161-I165 WeakPolarHBondContact O-CG1 3.17Å; V161-I165 PolarHBondContact O-N 3.14Å; I162-I165 PolarHBondContact O-N 3.08Å; I165-K167 VanDerWaalsContact C-N 3.32Å; I165-K167 PolarHBondContact O-N 3.16Å; I165-L168 PolarHBondContact O-N 3.15Å; I165-I169 HydrophobicContact CG2-CD1 3.9Å; I165-I169 HydrophobicContact CG2-CG1 4.27Å; I165-I169 WeakPolarHBondContact O-CG1 3.48Å; I165-I169 PolarHBondContact O-N 3.42Å; I165-L187 HydrophobicContact CB-CD1 4.01Å; I165-L187 HydrophobicContact CD1-CD1 4.15Å; I165-L187 HydrophobicContact CG2-CD1 3.64Å; I165-L187 HydrophobicContact CG2-CD2 4.21Å; I165-L187 HydrophobicContact CG2-CG 3.94Å; I165-L210 HydrophobicContact CB-CD2 4.49Å; I165-L210 HydrophobicContact CD1-CD2 3.74Å; I165-L210 HydrophobicContact CG1-CD2 3.86Å; I165-L210 HydrophobicContact CG2-CD2 3.77Å; I165-I213 HydrophobicContact CD1-CG2 4.39Å; I165-I213 HydrophobicContact CG1-CG2 3.61Å; I165-L214 HydrophobicContact CD1-CD1 4.39Å
166N97.5Very high95.3Very high15 Ų1556.6 Ų56.68%0.0829%0.292CS..Hα-helixtrans-57.5-43.7177.4-72.1-16.9000112.1I162 R163 L168 I169 S170 T186 L187 D188I162-N166 PolarHBondContact O-N 2.85Å; R163-N166 PolarHBondContact O-N 3.37Å; N166-L168 VanDerWaalsContact C-N 3.29Å; N166-L168 PolarHBondContact O-N 3.36Å; N166-I169 PolarHBondContact O-N 2.88Å; N166-S170 PolarHBondContact O-N 3.32Å; N166-S170 PolarHBondContact O-OG 3.01Å; N166-T186 HydrophobicContact CB-CG2 3.92Å; N166-T186 WeakPolarHBondContact OD1-CB 3.21Å; N166-L187 VanDerWaalsContact OD1-CB 3.24Å; N166-L187 WeakPolarHBondContact OD1-CB 3.39Å; N166-L187 WeakPolarHBondContact OD1-CG 3.47Å; N166-L187 PolarHBondContact OD1-N 3.19Å; N166-D188 PolarHBondContact ND2-OD1 2.88Å; N166-D188 PolarHBondContact ND2-OD2 2.98Å
167K96.4Very high95.3Very high129 Ų12949.8 Ų49.856%0.56126%0.256SS*.Hα-helixtrans-60.6-38.8176.1-172.2177.3-175.8178.40112R163 S164 I165 R171R163-K167 PolarHBondContact O-N 3.13Å; S164-K167 PolarHBondContact O-N 3.24Å; I165-K167 VanDerWaalsContact C-N 3.32Å; I165-K167 PolarHBondContact O-N 3.16Å; K167-R171 WeakPolarHBondContact O-CG 3.46Å; K167-R171 PolarHBondContact O-N 2.9Å
168L95.3Very high95.1Very high37 Ų3751.9 Ų51.919%0.19427%0.27CS..Hα-helixtrans-72.8-38178-67.8170.3000112.5S164 I165 N166 R171 C172 I209 I213S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 2.79Å; S164-L168 VanDerWaalsContact O-N 3.09Å; I165-L168 PolarHBondContact O-N 3.15Å; N166-L168 VanDerWaalsContact C-N 3.29Å; N166-L168 PolarHBondContact O-N 3.36Å; L168-R171 PolarHBondContact O-N 2.91Å; L168-C172 PolarHBondContact O-N 2.65Å; L168-C172 PolarHBondContact O-SG 3.22Å; L168-I209 HydrophobicContact CB-CB 3.94Å; L168-I209 HydrophobicContact CB-CD1 4.4Å; L168-I209 HydrophobicContact CB-CG2 4.23Å; L168-I209 HydrophobicContact CD1-CB 4.23Å; L168-I209 VanDerWaalsContact CD1-O 3.28Å; L168-I209 WeakPolarHBondContact CD1-O 3.48Å; L168-I213 HydrophobicContact CD1-CD1 4.37Å; L168-I213 HydrophobicContact CD1-CG1 3.87Å
169I95.8Very high95Very high2 Ų251 Ų511%0.0127%0.265CS..Hα-helixtrans-59.8-48.3172.7-67.9171.3000110I165 N166 R171 C172 V173 C184 L187 F201 I209I165-I169 HydrophobicContact CG2-CD1 3.9Å; I165-I169 HydrophobicContact CG2-CG1 4.27Å; I165-I169 WeakPolarHBondContact O-CG1 3.48Å; I165-I169 PolarHBondContact O-N 3.42Å; N166-I169 PolarHBondContact O-N 2.88Å; I169-R171 VanDerWaalsContact C-N 3.26Å; I169-R171 PolarHBondContact O-N 3.12Å; I169-C172 WeakPolarHBondContact O-CB 3.5Å; I169-C172 PolarHBondContact O-N 3.2Å; I169-V173 PolarHBondContact O-N 2.71Å; I169-C184 HydrophobicContact CG2-CB 4.19Å; I169-C184 WeakPolarHBondContact CG2-O 3.43Å; I169-L187 HydrophobicContact CD1-CD2 3.42Å; I169-L187 VanDerWaalsContact CD1-CD2 3.42Å; I169-L187 HydrophobicContact CD1-CG 3.9Å; I169-F201 HydrophobicContact CD1-CD2 4.47Å; I169-F201 HydrophobicContact CD1-CE2 4.02Å; I169-F201 HydrophobicContact CG1-CE2 4.34Å; I169-I209 HydrophobicContact CG1-CD1 3.51Å
170S95.4Very high94.9Very high63 Ų6348.8 Ų48.844%0.44125%0.247SC..Hα-helixtrans-58.4-38.3178.3-60.80000112.4N166 C172 V173N166-S170 PolarHBondContact O-N 3.32Å; N166-S170 PolarHBondContact O-OG 3.01Å; S170-C172 VanDerWaalsContact C-N 3.34Å; S170-C172 PolarHBondContact O-N 2.77Å; S170-V173 WeakPolarHBondContact O-CB 3.19Å; S170-V173 WeakPolarHBondContact O-CG2 3.26Å; S170-V173 PolarHBondContact O-N 2.65Å
171R92.6Very high94.4Very high129 Ų12954.6 Ų54.649%0.48727%0.268SS..Hα-helixtrans-66.8-32.6174-72.6169.9174-175.3-6.9113.2K167 L168 I169 V173K167-R171 WeakPolarHBondContact O-CG 3.46Å; K167-R171 PolarHBondContact O-N 2.9Å; L168-R171 PolarHBondContact O-N 2.91Å; I169-R171 VanDerWaalsContact C-N 3.26Å; I169-R171 PolarHBondContact O-N 3.12Å; R171-V173 PolarHBondContact O-N 2.93Å
172C93.1Very high93.9Very high10 Ų1059.1 Ų59.17%0.06828%0.283CS..Hα-helixtrans-69-19.7177.6-69.60000113L168 I169 S170 E174 S175 T176 I209L168-C172 PolarHBondContact O-N 2.65Å; L168-C172 PolarHBondContact O-SG 3.22Å; I169-C172 WeakPolarHBondContact O-CB 3.5Å; I169-C172 PolarHBondContact O-N 3.2Å; S170-C172 VanDerWaalsContact C-N 3.34Å; S170-C172 PolarHBondContact O-N 2.77Å; C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 2.7Å; C172-S175 CarbonylContact O-C 3.56Å; C172-S175 WeakPolarHBondContact O-CA 3.37Å; C172-S175 WeakPolarHBondContact O-CB 3.37Å; C172-S175 PolarHBondContact O-N 2.52Å; C172-T176 PolarHBondContact O-N 3.3Å; C172-T176 VanDerWaalsContact O-N 3.09Å; C172-T176 PolarHBondContact O-OG1 2.87Å; C172-I209 VanDerWaalsContact SG-CG2 3.5Å
173V92.5Very high93.7Very high60 Ų6061.8 Ų61.836%0.36429%0.294SS..Hα-helixtrans-56.9-46.8179175.90000111.1I169 S170 R171 S175 T176 K183I169-V173 PolarHBondContact O-N 2.71Å; S170-V173 WeakPolarHBondContact O-CB 3.19Å; S170-V173 WeakPolarHBondContact O-CG2 3.26Å; S170-V173 PolarHBondContact O-N 2.65Å; R171-V173 PolarHBondContact O-N 2.93Å; V173-S175 PolarHBondContact O-N 3.35Å; V173-T176 PolarHBondContact O-N 2.85Å; V173-K183 HydrophobicContact CG1-CB 4.08Å; V173-K183 HydrophobicContact CG1-CG 4.05Å; V173-K183 HydrophobicContact CG2-CB 4.34Å
174E89.7Confident93.4Very high161 Ų16154.9 Ų54.975%0.75227%0.27SS*.THydrogen-bonded Turntrans-66.7-22.6177.7-64.2174.8-172.500113C172C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 2.7Å
175S90Very high93.4Very high8 Ų856.7 Ų56.76%0.05627%0.269CS..THydrogen-bonded Turntrans-93.2-3.8-178.7-58.10000113.3C172 V173 P177 S431 N433C172-S175 CarbonylContact O-C 3.56Å; C172-S175 WeakPolarHBondContact O-CA 3.37Å; C172-S175 WeakPolarHBondContact O-CB 3.37Å; C172-S175 PolarHBondContact O-N 2.52Å; V173-S175 PolarHBondContact O-N 3.35Å; S175-P177 WeakPolarHBondContact O-CD 3.41Å; S175-S431 VanDerWaalsContact CB-O 3.23Å; S175-S431 WeakPolarHBondContact CB-O 3.28Å; S175-S431 PolarHBondContact OG-O 2.91Å; S175-N433 PolarHBondContact OG-ND2 2.93Å; S175-N433 VanDerWaalsContact OG-ND2 3.1Å
176T94.7Very high93.4Very high4 Ų457.7 Ų57.73%0.02528%0.276CS..SBendtrans-87.6119.6-172.9-58.10000110.2C172 V173 F180 K183 L200 P362C172-T176 PolarHBondContact O-N 3.3Å; C172-T176 VanDerWaalsContact O-N 3.09Å; C172-T176 PolarHBondContact O-OG1 2.87Å; V173-T176 PolarHBondContact O-N 2.85Å; T176-F180 HydrophobicContact CG2-CB 3.68Å; T176-F180 HydrophobicContact CG2-CD2 3.62Å; T176-F180 HydrophobicContact CG2-CG 3.93Å; T176-K183 HydrophobicContact CG2-CD 3.53Å; T176-K183 PolarHBondContact O-NZ 3.04Å; T176-L200 HydrophobicContact CG2-CD1 4.42Å; T176-L200 HydrophobicContact CG2-CD2 3.93Å; T176-P362 VanDerWaalsContact O-CG 3.31Å; T176-P362 WeakPolarHBondContact O-CG 3.44Å
177P95.2Very high93.4Very high0 Ų057 Ų570%027%0.272CS..  trans-53.9156.6176.6-29.438.1000114.3S175 D179 F180 K183 D363 M430 L443S175-P177 WeakPolarHBondContact O-CD 3.41Å; P177-D179 HydrophobicContact CB-CB 4.41Å; P177-D179 VanDerWaalsContact CB-OD2 3.29Å; P177-D179 WeakPolarHBondContact CB-OD2 3.37Å; P177-D179 PolarHBondContact O-N 3.06Å; P177-F180 HydrophobicContact CB-CD2 4.32Å; P177-F180 HydrophobicContact CB-CE2 4.5Å; P177-F180 HydrophobicContact CG-CE2 4.39Å; P177-F180 PolarHBondContact O-N 3.48Å; P177-K183 PolarHBondContact O-NZ 3.02Å; P177-D363 WeakPolarHBondContact CA-OD1 3.35Å; P177-D363 WeakPolarHBondContact CB-OD1 3.48Å; P177-M430 HydrophobicContact CG-CB 4.15Å; P177-M430 HydrophobicContact CG-CG 4.49Å; P177-L443 HydrophobicContact CB-CD1 4.07Å; P177-L443 HydrophobicContact CG-CD1 4.05Å; P177-L443 HydrophobicContact CG-CD2 4.32Å
178S94.1Very high93.3Very high46 Ų4655.8 Ų55.832%0.32227%0.272SS..THydrogen-bonded Turntrans-59-2317559.50000113.2F180 D363S178-F180 PolarHBondContact O-N 3.04Å; S178-F180 VanDerWaalsContact O-N 3.15Å; S178-D363 WeakPolarHBondContact CB-OD1 3.19Å; S178-D363 PolarHBondContact N-OD1 2.89Å; S178-D363 VanDerWaalsContact OG-CG 3.27Å; S178-D363 PolarHBondContact OG-OD1 3.49Å
179D93.6Very high93.4Very high40 Ų4060.3 Ų60.321%0.21429%0.287CS..THydrogen-bonded Turntrans-54-31.9173.2-56.2-104.7000113.2P177 Q181 S355 K428 L443 H445P177-D179 HydrophobicContact CB-CB 4.41Å; P177-D179 VanDerWaalsContact CB-OD2 3.29Å; P177-D179 WeakPolarHBondContact CB-OD2 3.37Å; P177-D179 PolarHBondContact O-N 3.06Å; D179-Q181 PolarHBondContact O-N 3.03Å; D179-S355 VanDerWaalsContact CG-OG 3.28Å; D179-S355 VanDerWaalsContact OD1-CB 3.22Å; D179-S355 WeakPolarHBondContact OD1-CB 3.42Å; D179-S355 PolarHBondContact OD1-OG 3.01Å; D179-S355 PolarHBondContact OD2-OG 2.88Å; D179-K428 WeakPolarHBondContact OD2-CE 3.45Å; D179-K428 IonicContact OD2-NZ 2.77Å; D179-K428 PolarHBondContact OD2-NZ 3Å; D179-L443 HydrophobicContact CB-CD1 4.31Å; D179-H445 IonicContact OD1-CD2 2.65Å; D179-H445 IonicContact OD1-CE1 3.7Å; D179-H445 IonicContact OD1-NE2 2.96Å; D179-H445 PolarHBondContact OD1-NE2 3.39Å
180F92.7Very high93.4Very high21 Ų2160.8 Ų60.89%0.09229%0.29CS..  trans-9298.9178.7-57.4-81.2000109.8T176 P177 S178 R182 K183 L200 Y204 L443T176-F180 HydrophobicContact CG2-CB 3.68Å; T176-F180 HydrophobicContact CG2-CD2 3.62Å; T176-F180 HydrophobicContact CG2-CG 3.93Å; P177-F180 HydrophobicContact CB-CD2 4.32Å; P177-F180 HydrophobicContact CB-CE2 4.5Å; P177-F180 HydrophobicContact CG-CE2 4.39Å; P177-F180 PolarHBondContact O-N 3.48Å; S178-F180 PolarHBondContact O-N 3.04Å; S178-F180 VanDerWaalsContact O-N 3.15Å; F180-R182 PolarHBondContact O-N 2.99Å; F180-R182 VanDerWaalsContact O-N 3.13Å; F180-K183 PolarHBondContact O-NZ 3.41Å; F180-L200 HydrophobicContact CB-CD2 4.45Å; F180-L200 HydrophobicContact CD1-CB 4.33Å; F180-L200 HydrophobicContact CD1-CD1 3.85Å; F180-L200 HydrophobicContact CD1-CG 4.45Å; F180-L200 HydrophobicContact CD2-CD1 4.09Å; F180-L200 HydrophobicContact CE1-CB 4.47Å; F180-L200 HydrophobicContact CE1-CD1 3.73Å; F180-L200 HydrophobicContact CE2-CD1 3.97Å; F180-L200 HydrophobicContact CG-CD1 4.02Å; F180-L200 HydrophobicContact CG-CD2 4.42Å; F180-L200 HydrophobicContact CZ-CD1 3.79Å; F180-Y204 HydrophobicContact CE1-CD2 4.19Å; F180-Y204 AromaticContact CE1-CE2 3.92Å; F180-Y204 HydrophobicContact CE1-CE2 3.92Å; F180-Y204 AromaticContact CZ-CD2 3.92Å; F180-Y204 HydrophobicContact CZ-CD2 3.92Å; F180-Y204 HydrophobicContact CZ-CE1 4.39Å; F180-Y204 AromaticContact CZ-CE2 3.72Å; F180-Y204 HydrophobicContact CZ-CE2 3.72Å; F180-Y204 HydrophobicContact CZ-CG 4.35Å; F180-Y204 AromaticContact CZ-CZ 3.98Å; F180-L443 HydrophobicContact CE2-CD2 3.6Å; F180-L443 HydrophobicContact CZ-CD2 3.8Å
181Q86.2Confident93.4Very high185 Ų18562.4 Ų62.486%0.86430%0.301SS*.SBendtrans-53.4-31.8175.2-66.5-177.95.100112.9D179D179-Q181 PolarHBondContact O-N 3.03Å
182R88Confident93.6Very high115 Ų11559.8 Ų59.843%0.43430%0.299SS..SBendtrans-113.6135174.9-64.9-171.7-177.4-81.1-3.9110.1F180 E197F180-R182 PolarHBondContact O-N 2.99Å; F180-R182 VanDerWaalsContact O-N 3.13Å; R182-E197 HydrophobicContact CB-CG 3.95Å
183K92.4Very high93.8Very high71 Ų7159.4 Ų59.431%0.30930%0.297SS..PPolyproline II helixtrans-88.4148.4167.6-48.7-57.2-176.2-169.90108.5V173 T176 P177 F180 R185V173-K183 HydrophobicContact CG1-CB 4.08Å; V173-K183 HydrophobicContact CG1-CG 4.05Å; V173-K183 HydrophobicContact CG2-CB 4.34Å; T176-K183 HydrophobicContact CG2-CD 3.53Å; T176-K183 PolarHBondContact O-NZ 3.04Å; P177-K183 PolarHBondContact O-NZ 3.02Å; F180-K183 PolarHBondContact O-NZ 3.41Å; K183-R185 PolarHBondContact O-N 2.73Å
184C92.6Very high93.9Very high11 Ų1162 Ų627%0.07430%0.303CS..PPolyproline II helixtrans-70.8122.2-179.6-168.70000109.9I169 L200I169-C184 HydrophobicContact CG2-CB 4.19Å; I169-C184 WeakPolarHBondContact CG2-O 3.43Å; C184-L200 HydrophobicContact CB-CD2 4.16Å
185R96.2Very high94.2Very high83 Ų8354.8 Ų54.831%0.31327%0.271SS..PPolyproline II helixtrans-72.4162.3170.2-73.2171-77.1176.2-1.9110.9K183 Y189 V192 W193 E197K183-R185 PolarHBondContact O-N 2.73Å; R185-Y189 HydrophobicContact CB-CD2 4.41Å; R185-V192 VanDerWaalsContact NH1-CG2 3.26Å; R185-V192 PolarHBondContact NH2-O 3.45Å; R185-W193 WeakPolarHBondContact O-CZ2 3.43Å; R185-W193 PolarHBondContact O-NE1 2.97Å; R185-E197 IonicContact CZ-OE1 3.92Å; R185-E197 IonicContact CZ-OE2 2.9Å; R185-E197 PolarHBondContact N-OE1 2.64Å; R185-E197 IonicContact NE-OE1 2.71Å; R185-E197 PolarHBondContact NE-OE1 3.12Å; R185-E197 IonicContact NE-OE2 3.79Å; R185-E197 IonicContact NH2-OE1 3.88Å; R185-E197 PolarHBondContact NH2-OE1 3.04Å; R185-E197 IonicContact NH2-OE2 2.92Å; R185-E197 PolarHBondContact NH2-OE2 3.5Å
186T97.3Very high94.5Very high22 Ų2256.6 Ų56.614%0.13528%0.284CS..PPolyproline II helixtrans-61.7163.7175.361.90000111.7N166 D188 Y189 W193N166-T186 HydrophobicContact CB-CG2 3.92Å; N166-T186 WeakPolarHBondContact OD1-CB 3.21Å; T186-D188 PolarHBondContact O-N 3.23Å; T186-D188 VanDerWaalsContact O-N 3.16Å; T186-D188 PolarHBondContact OG1-OD2 3.16Å; T186-Y189 PolarHBondContact O-N 2.87Å; T186-Y189 VanDerWaalsContact O-N 3.07Å; T186-Y189 WeakPolarHBondContact OG1-CD2 3.35Å; T186-W193 PolarHBondContact O-NE1 2.73Å
187L97.4Very high94.6Very high0 Ų056.5 Ų56.50%028%0.283CS..G310 helixtrans-59.7-26.2-179.8-55.6-168.3000111.9V143 I147 I162 I165 N166 I169 Y189 V190 W193 F201V143-L187 HydrophobicContact CG1-CB 4.22Å; V143-L187 HydrophobicContact CG1-CD1 4.4Å; V143-L187 HydrophobicContact CG1-CD2 3.68Å; V143-L187 HydrophobicContact CG1-CG 4.3Å; V143-L187 HydrophobicContact CG2-CD2 4.43Å; I147-L187 HydrophobicContact CD1-CB 4.02Å; I147-L187 WeakPolarHBondContact CD1-O 3.46Å; I147-L187 HydrophobicContact CG1-CB 4.25Å; I162-L187 HydrophobicContact CD1-CD1 4.36Å; I162-L187 HydrophobicContact CG2-CD1 4.41Å; I165-L187 HydrophobicContact CB-CD1 4.01Å; I165-L187 HydrophobicContact CD1-CD1 4.15Å; I165-L187 HydrophobicContact CG2-CD1 3.64Å; I165-L187 HydrophobicContact CG2-CD2 4.21Å; I165-L187 HydrophobicContact CG2-CG 3.94Å; N166-L187 VanDerWaalsContact OD1-CB 3.24Å; N166-L187 WeakPolarHBondContact OD1-CB 3.39Å; N166-L187 WeakPolarHBondContact OD1-CG 3.47Å; N166-L187 PolarHBondContact OD1-N 3.19Å; I169-L187 HydrophobicContact CD1-CD2 3.42Å; I169-L187 VanDerWaalsContact CD1-CD2 3.42Å; I169-L187 HydrophobicContact CD1-CG 3.9Å; L187-Y189 PolarHBondContact O-N 3.48Å; L187-V190 WeakPolarHBondContact O-CB 3.3Å; L187-V190 WeakPolarHBondContact O-CG1 3.41Å; L187-V190 PolarHBondContact O-N 2.96Å; L187-W193 HydrophobicContact CD2-CH2 3.7Å; L187-W193 HydrophobicContact CD2-CZ2 3.85Å; L187-F201 HydrophobicContact CD2-CE2 4.46Å; L187-F201 HydrophobicContact CD2-CZ 4.48Å
188D95.3Very high94.7Very high104 Ų10456.5 Ų56.556%0.55628%0.283SS*.G310 helixtrans-59-22.4177.4-43.7-52.1000112.7N166 T186N166-D188 PolarHBondContact ND2-OD1 2.88Å; N166-D188 PolarHBondContact ND2-OD2 2.98Å; T186-D188 PolarHBondContact O-N 3.23Å; T186-D188 VanDerWaalsContact O-N 3.16Å; T186-D188 PolarHBondContact OG1-OD2 3.16Å
189Y96.9Very high94.8Very high132 Ų13255.6 Ų55.652%0.51827%0.272SS..G310 helixtrans-107.217.5179.8-58.9-80.4000113.1R185 T186 L187 S191 V192 W193R185-Y189 HydrophobicContact CB-CD2 4.41Å; T186-Y189 PolarHBondContact O-N 2.87Å; T186-Y189 VanDerWaalsContact O-N 3.07Å; T186-Y189 WeakPolarHBondContact OG1-CD2 3.35Å; L187-Y189 PolarHBondContact O-N 3.48Å; Y189-S191 PolarHBondContact O-N 3.41Å; Y189-V192 WeakPolarHBondContact O-CG2 3.36Å; Y189-V192 PolarHBondContact O-N 2.81Å; Y189-V192 VanDerWaalsContact O-N 3.08Å; Y189-W193 PolarHBondContact O-N 2.89Å
190V96.5Very high95Very high12 Ų1253.7 Ų53.77%0.07326%0.262CS..G310 helixtrans-55.8-36.1-175.566.90000113.1K140 V143 I147 L187 V192 W193K140-V190 HydrophobicContact CB-CG2 4.31Å; K140-V190 WeakPolarHBondContact CE-O 3.34Å; K140-V190 HydrophobicContact CG-CG2 4.31Å; V143-V190 HydrophobicContact CB-CG2 3.85Å; V143-V190 HydrophobicContact CG1-CB 3.83Å; V143-V190 HydrophobicContact CG1-CG1 4.31Å; V143-V190 HydrophobicContact CG1-CG2 3.5Å; I147-V190 HydrophobicContact CD1-CB 4.36Å; I147-V190 HydrophobicContact CD1-CG1 3.6Å; L187-V190 WeakPolarHBondContact O-CB 3.3Å; L187-V190 WeakPolarHBondContact O-CG1 3.41Å; L187-V190 PolarHBondContact O-N 2.96Å; V190-V192 PolarHBondContact O-N 2.77Å; V190-V192 VanDerWaalsContact O-N 3.16Å; V190-W193 HydrophobicContact CB-CD2 4.48Å; V190-W193 HydrophobicContact CG2-CD2 4.23Å; V190-W193 HydrophobicContact CG2-CE3 4.16Å; V190-W193 WeakPolarHBondContact O-CB 3.13Å; V190-W193 PolarHBondContact O-N 3.34Å; V190-W193 VanDerWaalsContact O-N 3.1Å
191S95.2Very high95.2Very high96 Ų9652.7 Ų52.767%0.67126%0.258SS*.G310 helixtrans-55.3-38179.957.80000111.9K140 Y189K140-S191 PolarHBondContact NZ-O 2.75Å; Y189-S191 PolarHBondContact O-N 3.41Å
192V96Very high95.8Very high74 Ų7443.9 Ų43.945%0.44822%0.217SC..G310 helixtrans-100.22.8-177.8-65.80000113.9R185 Y189 V190R185-V192 VanDerWaalsContact NH1-CG2 3.26Å; R185-V192 PolarHBondContact NH2-O 3.45Å; Y189-V192 WeakPolarHBondContact O-CG2 3.36Å; Y189-V192 PolarHBondContact O-N 2.81Å; Y189-V192 VanDerWaalsContact O-N 3.08Å; V190-V192 PolarHBondContact O-N 2.77Å; V190-V192 VanDerWaalsContact O-N 3.16Å
193W96.5Very high96.2Very high2 Ų238.7 Ų38.71%0.00820%0.198CC..  trans-54.1141.8173.6-79.810.9000111K140 V143 R185 T186 L187 Y189 V190 E197 F201K140-W193 WeakPolarHBondContact CE-O 3.4Å; K140-W193 PolarHBondContact NZ-O 3.4Å; V143-W193 HydrophobicContact CG2-CH2 4.3Å; V143-W193 HydrophobicContact CG2-CZ3 4.09Å; R185-W193 WeakPolarHBondContact O-CZ2 3.43Å; R185-W193 PolarHBondContact O-NE1 2.97Å; T186-W193 PolarHBondContact O-NE1 2.73Å; L187-W193 HydrophobicContact CD2-CH2 3.7Å; L187-W193 HydrophobicContact CD2-CZ2 3.85Å; Y189-W193 PolarHBondContact O-N 2.89Å; V190-W193 HydrophobicContact CB-CD2 4.48Å; V190-W193 HydrophobicContact CG2-CD2 4.23Å; V190-W193 HydrophobicContact CG2-CE3 4.16Å; V190-W193 WeakPolarHBondContact O-CB 3.13Å; V190-W193 PolarHBondContact O-N 3.34Å; V190-W193 VanDerWaalsContact O-N 3.1Å; W193-E197 HydrophobicContact CG-CB 4.49Å; W193-F201 HydrophobicContact CH2-CB 4.37Å; W193-F201 HydrophobicContact CH2-CD1 4.33Å; W193-F201 AromaticContact CH2-CD2 3.98Å; W193-F201 HydrophobicContact CH2-CD2 3.98Å; W193-F201 HydrophobicContact CH2-CE2 4.33Å; W193-F201 AromaticContact CH2-CG 3.97Å; W193-F201 HydrophobicContact CH2-CG 3.97Å; W193-F201 HydrophobicContact CZ3-CB 4.13Å; W193-F201 HydrophobicContact CZ3-CD1 4.15Å; W193-F201 HydrophobicContact CZ3-CD2 4.48Å; W193-F201 HydrophobicContact CZ3-CG 4Å
194K95.7Very high96.3Very high114 Ų11435.4 Ų35.450%0.49618%0.183SC..  trans-92.6163172.3-61.9-59.6-174.8178.60110.6S196 E197 C198K194-S196 PolarHBondContact O-N 3.09Å; K194-E197 PolarHBondContact N-OE2 3.4Å; K194-E197 PolarHBondContact O-N 2.75Å; K194-C198 PolarHBondContact O-N 3.32Å; K194-C198 VanDerWaalsContact O-N 3.07Å; K194-C198 PolarHBondContact O-SG 2.78Å
195A96Very high96.5Very high10 Ų1035 Ų358%0.08318%0.181CC..Hα-helixtrans-55.3-38.4179.900000112.2M131 L136 E197 C198 R199 F291M131-A195 HydrophobicContact CG-CB 3.49Å; M131-A195 VanDerWaalsContact CG-CB 3.49Å; M131-A195 HydrophobicContact SD-CB 4.01Å; L136-A195 HydrophobicContact CD1-CB 4Å; L136-A195 HydrophobicContact CD2-CB 4.07Å; L136-A195 HydrophobicContact CG-CB 3.75Å; A195-E197 PolarHBondContact O-N 3.49Å; A195-C198 PolarHBondContact O-N 3.25Å; A195-R199 WeakPolarHBondContact O-CB 3.23Å; A195-R199 PolarHBondContact O-N 3.35Å; A195-F291 HydrophobicContact CB-CE1 3.66Å; A195-F291 HydrophobicContact CB-CZ 3.83Å
196S95.4Very high96.5Very high46 Ų4631 Ų3132%0.32217%0.166SC..Hα-helixtrans-66.2-34.3177.753.80000113.8K194 L200K194-S196 PolarHBondContact O-N 3.09Å; S196-L200 WeakPolarHBondContact O-CB 3.39Å; S196-L200 PolarHBondContact O-N 2.89Å
197E96.9Very high96.4Very high2 Ų230.7 Ų30.71%0.00916%0.164CC..Hα-helixtrans-70.4-39.3173.1-70.5168.193.500111.3R182 R185 W193 K194 A195 L200 F201R182-E197 HydrophobicContact CB-CG 3.95Å; R185-E197 IonicContact CZ-OE1 3.92Å; R185-E197 IonicContact CZ-OE2 2.9Å; R185-E197 PolarHBondContact N-OE1 2.64Å; R185-E197 IonicContact NE-OE1 2.71Å; R185-E197 PolarHBondContact NE-OE1 3.12Å; R185-E197 IonicContact NE-OE2 3.79Å; R185-E197 IonicContact NH2-OE1 3.88Å; R185-E197 PolarHBondContact NH2-OE1 3.04Å; R185-E197 IonicContact NH2-OE2 2.92Å; R185-E197 PolarHBondContact NH2-OE2 3.5Å; W193-E197 HydrophobicContact CG-CB 4.49Å; K194-E197 PolarHBondContact N-OE2 3.4Å; K194-E197 PolarHBondContact O-N 2.75Å; A195-E197 PolarHBondContact O-N 3.49Å; E197-L200 PolarHBondContact O-N 2.73Å; E197-F201 WeakPolarHBondContact O-CB 3.37Å; E197-F201 PolarHBondContact O-N 2.81Å
198C97.5Very high96.3Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-65.6-41.7176.6-56.20000111.1Y135 T139 K194 A195 F201 L202Y135-C198 WeakPolarHBondContact O-CB 3.27Å; Y135-C198 PolarHBondContact O-SG 3.28Å; T139-C198 HydrophobicContact CG2-CB 4.29Å; K194-C198 PolarHBondContact O-N 3.32Å; K194-C198 VanDerWaalsContact O-N 3.07Å; K194-C198 PolarHBondContact O-SG 2.78Å; A195-C198 PolarHBondContact O-N 3.25Å; C198-F201 PolarHBondContact O-N 3.25Å; C198-L202 VanDerWaalsContact O-CB 3.29Å; C198-L202 WeakPolarHBondContact O-CB 3.49Å; C198-L202 PolarHBondContact O-N 3.5Å
199R97.3Very high96.3Very high27 Ų2726.6 Ų26.610%0.10214%0.142CC..Hα-helixtrans-62.2-45.9173.9-174.5175.9178.7-83.12.2111.5Y135 A195 F201 L202 L203 D286 F291Y135-R199 HydrophobicContact CD1-CB 4.07Å; Y135-R199 HydrophobicContact CD1-CG 4.29Å; Y135-R199 HydrophobicContact CD2-CB 3.92Å; Y135-R199 HydrophobicContact CD2-CG 4.16Å; Y135-R199 HydrophobicContact CE1-CB 4.3Å; Y135-R199 HydrophobicContact CE1-CG 3.99Å; Y135-R199 HydrophobicContact CE2-CB 4.23Å; Y135-R199 HydrophobicContact CE2-CG 3.92Å; Y135-R199 HydrophobicContact CG-CB 3.9Å; Y135-R199 HydrophobicContact CG-CG 4.39Å; A195-R199 WeakPolarHBondContact O-CB 3.23Å; A195-R199 PolarHBondContact O-N 3.35Å; R199-F201 VanDerWaalsContact C-N 3.32Å; R199-F201 PolarHBondContact O-N 3.19Å; R199-L202 PolarHBondContact O-N 3.05Å; R199-L203 HydrophobicContact CG-CD1 3.65Å; R199-L203 HydrophobicContact CG-CG 4.2Å; R199-L203 WeakPolarHBondContact O-CB 3.44Å; R199-L203 WeakPolarHBondContact O-CG 3.24Å; R199-L203 PolarHBondContact O-N 3.14Å; R199-D286 IonicContact CZ-OD1 3.53Å; R199-D286 IonicContact CZ-OD2 3.03Å; R199-D286 IonicContact NE-OD1 3.42Å; R199-D286 PolarHBondContact NE-OD1 2.73Å; R199-D286 VanDerWaalsContact NH2-CG 3.34Å; R199-D286 IonicContact NH2-OD1 2.65Å; R199-D286 PolarHBondContact NH2-OD1 3.41Å; R199-D286 IonicContact NH2-OD2 3.37Å; R199-D286 PolarHBondContact NH2-OD2 2.96Å; R199-F291 HydrophobicContact CB-CZ 4.38Å
200L96.7Very high96.3Very high1 Ų120.3 Ų20.31%0.00512%0.118CC..Hα-helixtrans-58.2-45.9175.1174.261000111.3T176 F180 C184 S196 E197 Y204 S205 M430T176-L200 HydrophobicContact CG2-CD1 4.42Å; T176-L200 HydrophobicContact CG2-CD2 3.93Å; F180-L200 HydrophobicContact CB-CD2 4.45Å; F180-L200 HydrophobicContact CD1-CB 4.33Å; F180-L200 HydrophobicContact CD1-CD1 3.85Å; F180-L200 HydrophobicContact CD1-CG 4.45Å; F180-L200 HydrophobicContact CD2-CD1 4.09Å; F180-L200 HydrophobicContact CE1-CB 4.47Å; F180-L200 HydrophobicContact CE1-CD1 3.73Å; F180-L200 HydrophobicContact CE2-CD1 3.97Å; F180-L200 HydrophobicContact CG-CD1 4.02Å; F180-L200 HydrophobicContact CG-CD2 4.42Å; F180-L200 HydrophobicContact CZ-CD1 3.79Å; C184-L200 HydrophobicContact CB-CD2 4.16Å; S196-L200 WeakPolarHBondContact O-CB 3.39Å; S196-L200 PolarHBondContact O-N 2.89Å; E197-L200 PolarHBondContact O-N 2.73Å; L200-Y204 HydrophobicContact CD1-CD2 4.09Å; L200-Y204 HydrophobicContact CD1-CG 4.36Å; L200-Y204 WeakPolarHBondContact O-CB 3.19Å; L200-Y204 PolarHBondContact O-N 2.98Å; L200-Y204 VanDerWaalsContact O-N 3.13Å; L200-S205 PolarHBondContact O-N 3.44Å; L200-M430 HydrophobicContact CD1-CE 4.44Å; L200-M430 HydrophobicContact CD1-SD 4Å
201F97.5Very high96.2Very high0 Ų024.1 Ų24.10%013%0.131CC..Iπ-helixtrans-64.4-48.5178.2-175.7-98.8000112.3T139 V143 W146 I169 L187 W193 E197 C198 R199 S205 G206 I209 L210 F222T139-F201 HydrophobicContact CG2-CD1 4.04Å; V143-F201 HydrophobicContact CG2-CD1 4.47Å; V143-F201 HydrophobicContact CG2-CE1 3.92Å; V143-F201 HydrophobicContact CG2-CZ 4.43Å; W146-F201 HydrophobicContact CH2-CE1 4.33Å; W146-F201 HydrophobicContact CZ3-CE1 4.05Å; W146-F201 HydrophobicContact CZ3-CZ 4.05Å; I169-F201 HydrophobicContact CD1-CD2 4.47Å; I169-F201 HydrophobicContact CD1-CE2 4.02Å; I169-F201 HydrophobicContact CG1-CE2 4.34Å; L187-F201 HydrophobicContact CD2-CE2 4.46Å; L187-F201 HydrophobicContact CD2-CZ 4.48Å; W193-F201 HydrophobicContact CH2-CB 4.37Å; W193-F201 HydrophobicContact CH2-CD1 4.33Å; W193-F201 AromaticContact CH2-CD2 3.98Å; W193-F201 HydrophobicContact CH2-CD2 3.98Å; W193-F201 HydrophobicContact CH2-CE2 4.33Å; W193-F201 AromaticContact CH2-CG 3.97Å; W193-F201 HydrophobicContact CH2-CG 3.97Å; W193-F201 HydrophobicContact CZ3-CB 4.13Å; W193-F201 HydrophobicContact CZ3-CD1 4.15Å; W193-F201 HydrophobicContact CZ3-CD2 4.48Å; W193-F201 HydrophobicContact CZ3-CG 4Å; E197-F201 WeakPolarHBondContact O-CB 3.37Å; E197-F201 PolarHBondContact O-N 2.81Å; C198-F201 PolarHBondContact O-N 3.25Å; R199-F201 VanDerWaalsContact C-N 3.32Å; R199-F201 PolarHBondContact O-N 3.19Å; F201-S205 WeakPolarHBondContact CA-OG 3.36Å; F201-G206 WeakPolarHBondContact O-CA 3.27Å; F201-G206 PolarHBondContact O-N 3.24Å; F201-I209 HydrophobicContact CE2-CD1 4.14Å; F201-L210 HydrophobicContact CE1-CD1 4.24Å; F201-L210 HydrophobicContact CZ-CD1 3.87Å; F201-L210 HydrophobicContact CZ-CD2 4.23Å; F201-L210 HydrophobicContact CZ-CG 4.26Å; F201-F222 HydrophobicContact CD1-CE2 4.29Å; F201-F222 HydrophobicContact CD1-CZ 4.14Å; F201-F222 AromaticContact CE1-CE2 3.91Å; F201-F222 HydrophobicContact CE1-CE2 3.91Å; F201-F222 AromaticContact CE1-CZ 3.83Å; F201-F222 HydrophobicContact CE1-CZ 3.83Å
202L97.9Very high96.1Very high0 Ų026.7 Ų26.70%014%0.137CC..Iπ-helixtrans-66.2-47.5-176.1-17765.4000112.1V134 Y135 T139 C198 R199 P207 F222 L225 A226 M229V134-L202 HydrophobicContact CG1-CD2 3.6Å; Y135-L202 HydrophobicContact CD1-CD2 3.87Å; Y135-L202 HydrophobicContact CE1-CD2 4Å; T139-L202 HydrophobicContact CG2-CB 4.19Å; C198-L202 VanDerWaalsContact O-CB 3.29Å; C198-L202 WeakPolarHBondContact O-CB 3.49Å; C198-L202 PolarHBondContact O-N 3.5Å; R199-L202 PolarHBondContact O-N 3.05Å; L202-P207 WeakPolarHBondContact O-CD 3.32Å; L202-P207 VanDerWaalsContact O-CG 3.31Å; L202-P207 WeakPolarHBondContact O-CG 3.32Å; L202-F222 HydrophobicContact CD1-CD2 4.37Å; L202-F222 HydrophobicContact CD1-CE2 3.61Å; L202-F222 HydrophobicContact CD1-CZ 3.92Å; L202-L225 HydrophobicContact CD1-CD2 4.07Å; L202-L225 HydrophobicContact CD1-CG 4.2Å; L202-A226 HydrophobicContact CD1-CB 3.95Å; L202-A226 HydrophobicContact CG-CB 4.49Å; L202-A226 VanDerWaalsContact O-CB 3.25Å; L202-A226 WeakPolarHBondContact O-CB 2.9Å; L202-M229 HydrophobicContact CD2-CB 4.15Å; L202-M229 HydrophobicContact CD2-CG 4Å
203L96.4Very high96.1Very high6 Ų625.9 Ų25.93%0.03113%0.129CC..Iπ-helixtrans-87.8-25.9-169.2-59-173.8000113.6Y135 R199 M229 Y230 L444Y135-L203 HydrophobicContact CE1-CD1 4.49Å; R199-L203 HydrophobicContact CG-CD1 3.65Å; R199-L203 HydrophobicContact CG-CG 4.2Å; R199-L203 WeakPolarHBondContact O-CB 3.44Å; R199-L203 WeakPolarHBondContact O-CG 3.24Å; R199-L203 PolarHBondContact O-N 3.14Å; L203-M229 HydrophobicContact CD2-CB 3.72Å; L203-Y230 HydrophobicContact CB-CD2 4.36Å; L203-Y230 WeakPolarHBondContact O-CD2 3.45Å; L203-L444 HydrophobicContact CD1-CD1 4.09Å
204Y96.1Very high96.1Very high1 Ų126 Ų260%0.00413%0.13CC..Iπ-helixtrans-123.3-66.3-170.1-56.5-87.9000113F180 L200 Y230 M430 I432 V441 P442 L443 L444F180-Y204 HydrophobicContact CE1-CD2 4.19Å; F180-Y204 AromaticContact CE1-CE2 3.92Å; F180-Y204 HydrophobicContact CE1-CE2 3.92Å; F180-Y204 AromaticContact CZ-CD2 3.92Å; F180-Y204 HydrophobicContact CZ-CD2 3.92Å; F180-Y204 HydrophobicContact CZ-CE1 4.39Å; F180-Y204 AromaticContact CZ-CE2 3.72Å; F180-Y204 HydrophobicContact CZ-CE2 3.72Å; F180-Y204 HydrophobicContact CZ-CG 4.35Å; F180-Y204 AromaticContact CZ-CZ 3.98Å; L200-Y204 HydrophobicContact CD1-CD2 4.09Å; L200-Y204 HydrophobicContact CD1-CG 4.36Å; L200-Y204 WeakPolarHBondContact O-CB 3.19Å; L200-Y204 PolarHBondContact O-N 2.98Å; L200-Y204 VanDerWaalsContact O-N 3.13Å; Y204-Y230 HydrophobicContact CE1-CE2 4.42Å; Y204-M430 HydrophobicContact CG-SD 4.47Å; Y204-I432 VanDerWaalsContact O-CD1 3.31Å; Y204-I432 WeakPolarHBondContact O-CD1 3.05Å; Y204-V441 HydrophobicContact CD1-CB 4.24Å; Y204-V441 HydrophobicContact CD1-CG1 3.62Å; Y204-V441 HydrophobicContact CE1-CG1 4.18Å; Y204-P442 WeakPolarHBondContact CE1-O 3.3Å; Y204-L443 HydrophobicContact CD1-CD2 4.33Å; Y204-L443 HydrophobicContact CE1-CD2 3.89Å; Y204-L444 PolarHBondContact OH-N 3.3Å; Y204-L444 VanDerWaalsContact OH-N 3.14Å
205S95.9Very high96.2Very high3 Ų321.6 Ų21.62%0.02111%0.113CC..Iπ-helixtrans-80.7-45.6-168.260.30000113.6L200 F201 V208 I209L200-S205 PolarHBondContact O-N 3.44Å; F201-S205 WeakPolarHBondContact CA-OG 3.36Å; S205-V208 PolarHBondContact O-N 2.88Å; S205-V208 VanDerWaalsContact O-N 3.13Å; S205-I209 WeakPolarHBondContact O-CG1 3.42Å; S205-I209 PolarHBondContact O-N 2.82Å
206G96.5Very high96.2Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-53.2-49.8-17700000114.2F201 V208 I209 L210F201-G206 WeakPolarHBondContact O-CA 3.27Å; F201-G206 PolarHBondContact O-N 3.24Å; G206-V208 PolarHBondContact O-N 3.46Å; G206-V208 VanDerWaalsContact O-N 3.09Å; G206-I209 PolarHBondContact O-N 2.85Å; G206-L210 VanDerWaalsContact O-CB 3.26Å; G206-L210 WeakPolarHBondContact O-CB 3.29Å; G206-L210 WeakPolarHBondContact O-CG 3.28Å; G206-L210 PolarHBondContact O-N 3.25Å; G206-L210 VanDerWaalsContact O-N 3.08Å
207P95.1Very high96.3Very high14 Ų1428.5 Ų28.59%0.09114%0.144CC..Hα-helixtrans-57.9-28.1-179.1-29.738.6000113.7L202 Y219 F222 A226L202-P207 WeakPolarHBondContact O-CD 3.32Å; L202-P207 VanDerWaalsContact O-CG 3.31Å; L202-P207 WeakPolarHBondContact O-CG 3.32Å; P207-Y219 PolarHBondContact O-OH 3.45Å; P207-F222 HydrophobicContact CG-CE1 4.18Å; P207-A226 HydrophobicContact CG-CB 3.58Å
208V95.3Very high96.4Very high8 Ų828.5 Ų28.55%0.04814%0.144CC..Hα-helixtrans-88.3-54.8-179.9-179.60000111.1S205 G206 L210 R211 Y395 I432 V439 V441S205-V208 PolarHBondContact O-N 2.88Å; S205-V208 VanDerWaalsContact O-N 3.13Å; G206-V208 PolarHBondContact O-N 3.46Å; G206-V208 VanDerWaalsContact O-N 3.09Å; V208-L210 PolarHBondContact O-N 3.39Å; V208-R211 WeakPolarHBondContact O-CB 3.28Å; V208-R211 PolarHBondContact O-N 3.32Å; V208-Y395 WeakPolarHBondContact CA-OH 3.08Å; V208-Y395 HydrophobicContact CB-CE1 4.48Å; V208-Y395 HydrophobicContact CG2-CE1 4.1Å; V208-Y395 PolarHBondContact O-OH 3.26Å; V208-Y395 VanDerWaalsContact O-OH 3.13Å; V208-I432 HydrophobicContact CB-CD1 3.98Å; V208-I432 HydrophobicContact CB-CG2 4.27Å; V208-I432 HydrophobicContact CG1-CB 4.18Å; V208-I432 HydrophobicContact CG1-CD1 4.41Å; V208-I432 HydrophobicContact CG1-CG2 3.69Å; V208-I432 HydrophobicContact CG2-CD1 3.74Å; V208-V439 HydrophobicContact CG1-CB 3.91Å; V208-V439 HydrophobicContact CG1-CG1 4.43Å; V208-V439 HydrophobicContact CG1-CG2 3.69Å; V208-V439 HydrophobicContact CG2-CB 4.03Å; V208-V439 HydrophobicContact CG2-CG1 3.68Å; V208-V439 HydrophobicContact CG2-CG2 4.44Å; V208-V441 HydrophobicContact CG2-CG2 4.49Å
209I95.1Very high96.4Very high11 Ų1129.5 Ų29.56%0.05615%0.148CC..Hα-helixtrans-76.6-22.1-16970.5-177.6000114.1L168 I169 C172 F201 S205 G206 R211 I432L168-I209 HydrophobicContact CB-CB 3.94Å; L168-I209 HydrophobicContact CB-CD1 4.4Å; L168-I209 HydrophobicContact CB-CG2 4.23Å; L168-I209 HydrophobicContact CD1-CB 4.23Å; L168-I209 VanDerWaalsContact CD1-O 3.28Å; L168-I209 WeakPolarHBondContact CD1-O 3.48Å; I169-I209 HydrophobicContact CG1-CD1 3.51Å; C172-I209 VanDerWaalsContact SG-CG2 3.5Å; F201-I209 HydrophobicContact CE2-CD1 4.14Å; S205-I209 WeakPolarHBondContact O-CG1 3.42Å; S205-I209 PolarHBondContact O-N 2.82Å; G206-I209 PolarHBondContact O-N 2.85Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-I432 HydrophobicContact CG2-CG2 4.15Å
210L96.8Very high96.3Very high0 Ų032.1 Ų32.10%016%0.163CC..THydrogen-bonded Turntrans-80.5-16.5178.9-62.4176.3000112.3W146 I165 F201 G206 V208 N212 I213 L214 Y219 F222W146-L210 HydrophobicContact CH2-CD1 3.58Å; W146-L210 HydrophobicContact CZ3-CD1 3.66Å; W146-L210 HydrophobicContact CZ3-CD2 4.24Å; I165-L210 HydrophobicContact CB-CD2 4.49Å; I165-L210 HydrophobicContact CD1-CD2 3.74Å; I165-L210 HydrophobicContact CG1-CD2 3.86Å; I165-L210 HydrophobicContact CG2-CD2 3.77Å; F201-L210 HydrophobicContact CE1-CD1 4.24Å; F201-L210 HydrophobicContact CZ-CD1 3.87Å; F201-L210 HydrophobicContact CZ-CD2 4.23Å; F201-L210 HydrophobicContact CZ-CG 4.26Å; G206-L210 VanDerWaalsContact O-CB 3.26Å; G206-L210 WeakPolarHBondContact O-CB 3.29Å; G206-L210 WeakPolarHBondContact O-CG 3.28Å; G206-L210 PolarHBondContact O-N 3.25Å; G206-L210 VanDerWaalsContact O-N 3.08Å; V208-L210 PolarHBondContact O-N 3.39Å; L210-N212 PolarHBondContact O-N 2.91Å; L210-I213 PolarHBondContact O-N 2.92Å; L210-I213 VanDerWaalsContact O-N 3.1Å; L210-L214 HydrophobicContact CB-CB 4.21Å; L210-L214 HydrophobicContact CD1-CD2 4.41Å; L210-L214 PolarHBondContact O-N 2.9Å; L210-Y219 HydrophobicContact CB-CD2 3.73Å; L210-Y219 HydrophobicContact CB-CE2 4Å; L210-F222 HydrophobicContact CD1-CD1 3.62Å; L210-F222 HydrophobicContact CD1-CE1 3.6Å; L210-F222 HydrophobicContact CD1-CE2 4.48Å; L210-F222 HydrophobicContact CD1-CG 4.1Å; L210-F222 HydrophobicContact CD1-CZ 4.04Å
211R94.4Very high96.4Very high92 Ų9232 Ų3235%0.34716%0.163SC..THydrogen-bonded Turntrans-62.2131.5-178.1-170.4176.4-179.11762.5110.5V208 I209 I213 Y219 Y395V208-R211 WeakPolarHBondContact O-CB 3.28Å; V208-R211 PolarHBondContact O-N 3.32Å; I209-R211 VanDerWaalsContact C-N 3.3Å; R211-I213 PolarHBondContact O-N 3.25Å; R211-I213 VanDerWaalsContact O-N 3.14Å; R211-Y219 HydrophobicContact CB-CE1 4.21Å; R211-Y219 HydrophobicContact CB-CE2 4.03Å; R211-Y219 HydrophobicContact CG-CE1 4Å; R211-Y395 VanDerWaalsContact CD-OH 3.31Å; R211-Y395 WeakPolarHBondContact CD-OH 3.22Å; R211-Y395 PolarHBondContact NH1-O 3Å
212N93Very high96.4Very high149 Ų14932 Ų3280%0.79716%0.163SC*.THydrogen-bonded Turntrans6112.2-177.3-51.5-25000114.5L210L210-N212 PolarHBondContact O-N 2.91Å
213I96.2Very high96.3Very high57 Ų5733.5 Ų33.529%0.29217%0.169SC..THydrogen-bonded Turntrans-117.7-52.1176.6-57.1-63.3000110.3V161 I165 L168 L210 R211V161-I213 HydrophobicContact CG1-CG2 4.29Å; V161-I213 WeakPolarHBondContact CG1-O 3.31Å; I165-I213 HydrophobicContact CD1-CG2 4.39Å; I165-I213 HydrophobicContact CG1-CG2 3.61Å; L168-I213 HydrophobicContact CD1-CD1 4.37Å; L168-I213 HydrophobicContact CD1-CG1 3.87Å; L210-I213 PolarHBondContact O-N 2.92Å; L210-I213 VanDerWaalsContact O-N 3.1Å; R211-I213 PolarHBondContact O-N 3.25Å; R211-I213 VanDerWaalsContact O-N 3.14Å
214L97.3Very high96.3Very high6 Ų637.5 Ų37.53%0.03118%0.184CC..SBendtrans-77.2136.9174.6-171.271.2000109W146 I165 L210 E216 L218W146-L214 HydrophobicContact CB-CD1 4.35Å; W146-L214 HydrophobicContact CD2-CD1 3.96Å; W146-L214 HydrophobicContact CD2-CD2 4Å; W146-L214 HydrophobicContact CE3-CD1 4.34Å; W146-L214 HydrophobicContact CE3-CD2 4.32Å; W146-L214 HydrophobicContact CG-CD1 3.94Å; W146-L214 HydrophobicContact CH2-CD2 4.06Å; W146-L214 HydrophobicContact CZ2-CD2 3.73Å; W146-L214 HydrophobicContact CZ3-CD2 4.34Å; I165-L214 HydrophobicContact CD1-CD1 4.39Å; L210-L214 HydrophobicContact CB-CB 4.21Å; L210-L214 HydrophobicContact CD1-CD2 4.41Å; L210-L214 PolarHBondContact O-N 2.9Å; L214-E216 PolarHBondContact O-N 3.48Å; L214-L218 HydrophobicContact CD1-CB 4.41Å; L214-L218 HydrophobicContact CD1-CD1 4.26Å; L214-L218 HydrophobicContact CD2-CB 3.78Å; L214-L218 HydrophobicContact CG-CB 3.88Å
215P97.3Very high96.4Very high20 Ų2037.5 Ų37.513%0.1318%0.184CC..  trans-50.9136.6177.6-3137.9000112.5K155 N156 V157 L218 Y219K155-P215 WeakPolarHBondContact O-CG 3.43Å; N156-P215 HydrophobicContact CB-CB 4.39Å; N156-P215 HydrophobicContact CB-CG 4.07Å; N156-P215 WeakPolarHBondContact O-CG 3.38Å; V157-P215 HydrophobicContact CG2-CG 3.78Å; P215-L218 HydrophobicContact CB-CD1 4.41Å; P215-L218 HydrophobicContact CB-CG 4.47Å; P215-L218 HydrophobicContact CG-CD1 4.47Å; P215-L218 WeakPolarHBondContact O-CA 3.22Å; P215-L218 WeakPolarHBondContact O-CB 3.28Å; P215-L218 PolarHBondContact O-N 3.02Å; P215-Y219 PolarHBondContact O-N 3.38Å
216E96.7Very high96.5Very high141 Ų14137.4 Ų37.466%0.65918%0.183SC*.Hα-helixtrans-51.9-45.7-165.7179.1177.9-142.200114.5L214 L218 Y219 L220L214-E216 PolarHBondContact O-N 3.48Å; E216-L218 VanDerWaalsContact C-N 3.26Å; E216-L218 PolarHBondContact O-N 2.83Å; E216-Y219 PolarHBondContact O-N 3.41Å; E216-L220 HydrophobicContact CG-CD1 3.77Å; E216-L220 HydrophobicContact CG-CG 4.02Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 WeakPolarHBondContact O-CG 3.43Å; E216-L220 PolarHBondContact O-N 2.83Å
217P97Very high96.4Very high60 Ų6037.9 Ų37.939%0.3919%0.186SC..Hα-helixtrans-59.4-35.6177.8-25.435.6000113.8N221P217-N221 WeakPolarHBondContact O-CB 3.34Å; P217-N221 PolarHBondContact O-N 3.11Å
218L98.1Very high96.4Very high3 Ų337.3 Ų37.32%0.01618%0.182CC..Hα-helixtrans-75.8-42.9178.8-51.4-176.6000110.2L149 V157 L214 P215 E216 N221 F222 C259 Y260L149-L218 HydrophobicContact CD1-CD1 4.01Å; V157-L218 HydrophobicContact CG2-CD1 3.61Å; L214-L218 HydrophobicContact CD1-CB 4.41Å; L214-L218 HydrophobicContact CD1-CD1 4.26Å; L214-L218 HydrophobicContact CD2-CB 3.78Å; L214-L218 HydrophobicContact CG-CB 3.88Å; P215-L218 HydrophobicContact CB-CD1 4.41Å; P215-L218 HydrophobicContact CB-CG 4.47Å; P215-L218 HydrophobicContact CG-CD1 4.47Å; P215-L218 WeakPolarHBondContact O-CA 3.22Å; P215-L218 WeakPolarHBondContact O-CB 3.28Å; P215-L218 PolarHBondContact O-N 3.02Å; E216-L218 VanDerWaalsContact C-N 3.26Å; E216-L218 PolarHBondContact O-N 2.83Å; L218-N221 PolarHBondContact O-N 2.67Å; L218-F222 WeakPolarHBondContact O-CB 3.12Å; L218-F222 PolarHBondContact O-N 3.34Å; L218-C259 HydrophobicContact CD2-CB 3.74Å; L218-Y260 HydrophobicContact CD2-CE1 3.8Å
219Y97.8Very high96.5Very high20 Ų2036.9 Ų36.98%0.07818%0.18CC..Hα-helixtrans-62.5-45.4176.5175.6-110.7000112.1P207 L210 R211 P215 E216 N221 F222 K223P207-Y219 PolarHBondContact O-OH 3.45Å; L210-Y219 HydrophobicContact CB-CD2 3.73Å; L210-Y219 HydrophobicContact CB-CE2 4Å; R211-Y219 HydrophobicContact CB-CE1 4.21Å; R211-Y219 HydrophobicContact CB-CE2 4.03Å; R211-Y219 HydrophobicContact CG-CE1 4Å; P215-Y219 PolarHBondContact O-N 3.38Å; E216-Y219 PolarHBondContact O-N 3.41Å; Y219-N221 VanDerWaalsContact C-N 3.31Å; Y219-N221 PolarHBondContact O-N 3.19Å; Y219-F222 PolarHBondContact O-N 3.42Å; Y219-K223 HydrophobicContact CE1-CB 4.49Å; Y219-K223 HydrophobicContact CE1-CD 4.17Å; Y219-K223 WeakPolarHBondContact O-CB 3.12Å; Y219-K223 PolarHBondContact O-N 3.04Å
220L96.1Very high96.6Very high82 Ų8236.5 Ų36.543%0.42918%0.178SC..Hα-helixtrans-64.7-36.8179.5-68.9179.6000112.1E216 R224E216-L220 HydrophobicContact CG-CD1 3.77Å; E216-L220 HydrophobicContact CG-CG 4.02Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 WeakPolarHBondContact O-CG 3.43Å; E216-L220 PolarHBondContact O-N 2.83Å; L220-R224 WeakPolarHBondContact O-CB 3.29Å; L220-R224 PolarHBondContact O-N 3.45Å; L220-R224 VanDerWaalsContact O-N 3.1Å
221N97.5Very high96.5Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-65-49173.8-173.6-110.1000111.4P217 L218 Y219 R224 L225 F252 K255 Y256 Y260P217-N221 WeakPolarHBondContact O-CB 3.34Å; P217-N221 PolarHBondContact O-N 3.11Å; L218-N221 PolarHBondContact O-N 2.67Å; Y219-N221 VanDerWaalsContact C-N 3.31Å; Y219-N221 PolarHBondContact O-N 3.19Å; N221-R224 PolarHBondContact O-N 2.87Å; N221-L225 PolarHBondContact O-N 3.17Å; N221-F252 VanDerWaalsContact ND2-CD2 3.29Å; N221-F252 WeakPolarHBondContact ND2-CD2 3.2Å; N221-F252 PolarHBondContact ND2-O 3.23Å; N221-F252 WeakPolarHBondContact O-CD2 3.29Å; N221-F252 WeakPolarHBondContact OD1-CE2 3.29Å; N221-K255 HydrophobicContact CB-CG 4.06Å; N221-Y256 PolarHBondContact ND2-N 2.99Å; N221-Y260 WeakPolarHBondContact OD1-CE2 3.36Å
222F98Very high96.6Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-60.8-46.6176174.6-94.4000112.5L142 W146 F201 L202 P207 L210 L218 Y219 R224 L225 A226L142-F222 HydrophobicContact CD1-CD2 4.13Å; W146-F222 HydrophobicContact CH2-CB 4.21Å; W146-F222 AromaticContact CH2-CD2 3.48Å; W146-F222 HydrophobicContact CH2-CD2 3.48Å; W146-F222 VanDerWaalsContact CH2-CD2 3.48Å; W146-F222 AromaticContact CH2-CE2 3.94Å; W146-F222 HydrophobicContact CH2-CE2 3.94Å; W146-F222 AromaticContact CH2-CG 3.82Å; W146-F222 HydrophobicContact CH2-CG 3.82Å; W146-F222 HydrophobicContact CZ2-CB 3.95Å; W146-F222 AromaticContact CZ2-CD2 3.83Å; W146-F222 HydrophobicContact CZ2-CD2 3.83Å; W146-F222 HydrophobicContact CZ2-CG 4.05Å; F201-F222 HydrophobicContact CD1-CE2 4.29Å; F201-F222 HydrophobicContact CD1-CZ 4.14Å; F201-F222 AromaticContact CE1-CE2 3.91Å; F201-F222 HydrophobicContact CE1-CE2 3.91Å; F201-F222 AromaticContact CE1-CZ 3.83Å; F201-F222 HydrophobicContact CE1-CZ 3.83Å; L202-F222 HydrophobicContact CD1-CD2 4.37Å; L202-F222 HydrophobicContact CD1-CE2 3.61Å; L202-F222 HydrophobicContact CD1-CZ 3.92Å; P207-F222 HydrophobicContact CG-CE1 4.18Å; L210-F222 HydrophobicContact CD1-CD1 3.62Å; L210-F222 HydrophobicContact CD1-CE1 3.6Å; L210-F222 HydrophobicContact CD1-CE2 4.48Å; L210-F222 HydrophobicContact CD1-CG 4.1Å; L210-F222 HydrophobicContact CD1-CZ 4.04Å; L218-F222 WeakPolarHBondContact O-CB 3.12Å; L218-F222 PolarHBondContact O-N 3.34Å; Y219-F222 PolarHBondContact O-N 3.42Å; F222-R224 PolarHBondContact O-N 3.43Å; F222-L225 PolarHBondContact O-N 3.45Å; F222-L225 VanDerWaalsContact O-N 3.16Å; F222-A226 HydrophobicContact CE1-CB 4.09Å; F222-A226 HydrophobicContact CZ-CB 4.36Å; F222-A226 WeakPolarHBondContact O-CB 3.29Å; F222-A226 PolarHBondContact O-N 2.81Å
223K96.1Very high96.8Very high30 Ų3025.7 Ų25.713%0.1313%0.127CC..Hα-helixtrans-55.3-41.6177.9179.5-172.3166.1-165.80110.3Y219 A226 L227 D398Y219-K223 HydrophobicContact CE1-CB 4.49Å; Y219-K223 HydrophobicContact CE1-CD 4.17Å; Y219-K223 WeakPolarHBondContact O-CB 3.12Å; Y219-K223 PolarHBondContact O-N 3.04Å; K223-A226 PolarHBondContact O-N 3.26Å; K223-L227 HydrophobicContact CD-CD1 4.39Å; K223-L227 HydrophobicContact CG-CD1 3.91Å; K223-L227 HydrophobicContact CG-CG 4.21Å; K223-L227 WeakPolarHBondContact O-CB 3.38Å; K223-L227 VanDerWaalsContact O-CG 3.29Å; K223-L227 WeakPolarHBondContact O-CG 3.31Å; K223-L227 PolarHBondContact O-N 2.99Å; K223-D398 PolarHBondContact NZ-O 3.29Å
224R96.2Very high96.7Very high91 Ų9123.2 Ų23.234%0.34311%0.114SC..Hα-helixtrans-63.2-46.6178.6-167.8174.2-61.1-101.75.6112L220 N221 F222 S228 D248 F252L220-R224 WeakPolarHBondContact O-CB 3.29Å; L220-R224 PolarHBondContact O-N 3.45Å; L220-R224 VanDerWaalsContact O-N 3.1Å; N221-R224 PolarHBondContact O-N 2.87Å; F222-R224 PolarHBondContact O-N 3.43Å; R224-S228 VanDerWaalsContact O-CB 3.28Å; R224-S228 WeakPolarHBondContact O-CB 3.43Å; R224-S228 PolarHBondContact O-N 3.49Å; R224-S228 PolarHBondContact O-OG 3.03Å; R224-D248 WeakPolarHBondContact CD-O 3.01Å; R224-D248 HydrophobicContact CG-CB 3.93Å; R224-D248 IonicContact CZ-OD1 3.8Å; R224-D248 IonicContact NH1-OD1 3.81Å; R224-D248 PolarHBondContact NH1-OD1 2.93Å; R224-F252 HydrophobicContact CG-CB 4.36Å
225L97.8Very high96.5Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-60.5-50.5174.3178.767.4000111V138 L142 L202 N221 F222 L227 S228 M229 L249 F252V138-L225 HydrophobicContact CB-CD2 4.33Å; V138-L225 HydrophobicContact CG1-CD2 3.46Å; V138-L225 VanDerWaalsContact CG1-CD2 3.46Å; L142-L225 HydrophobicContact CD1-CD2 3.82Å; L202-L225 HydrophobicContact CD1-CD2 4.07Å; L202-L225 HydrophobicContact CD1-CG 4.2Å; N221-L225 PolarHBondContact O-N 3.17Å; F222-L225 PolarHBondContact O-N 3.45Å; F222-L225 VanDerWaalsContact O-N 3.16Å; L225-L227 PolarHBondContact O-N 2.85Å; L225-S228 WeakPolarHBondContact O-CB 3.38Å; L225-S228 PolarHBondContact O-N 2.85Å; L225-M229 HydrophobicContact CD1-CE 4.35Å; L225-M229 HydrophobicContact CD1-CG 4.03Å; L225-M229 HydrophobicContact CG-CG 4.35Å; L225-M229 VanDerWaalsContact O-CG 3.28Å; L225-M229 WeakPolarHBondContact O-CG 3.4Å; L225-M229 PolarHBondContact O-N 3.48Å; L225-L249 HydrophobicContact CD1-CD2 4.2Å; L225-F252 HydrophobicContact CB-CD2 3.82Å; L225-F252 HydrophobicContact CB-CE2 3.77Å; L225-F252 HydrophobicContact CB-CG 4.45Å; L225-F252 HydrophobicContact CB-CZ 4.35Å; L225-F252 HydrophobicContact CD1-CE1 4.34Å; L225-F252 HydrophobicContact CD1-CZ 4.33Å; L225-F252 HydrophobicContact CD2-CE2 4.13Å; L225-F252 HydrophobicContact CD2-CZ 4.07Å; L225-F252 HydrophobicContact CG-CE2 4.37Å; L225-F252 HydrophobicContact CG-CZ 4.49Å
226A97.2Very high96.2Very high1 Ų128.4 Ų28.41%0.00814%0.14CC..Hα-helixtrans-58.6-47.1-177.400000112.6L202 P207 F222 K223 M229 Y230L202-A226 HydrophobicContact CD1-CB 3.95Å; L202-A226 HydrophobicContact CG-CB 4.49Å; L202-A226 VanDerWaalsContact O-CB 3.25Å; L202-A226 WeakPolarHBondContact O-CB 2.9Å; P207-A226 HydrophobicContact CG-CB 3.58Å; F222-A226 HydrophobicContact CE1-CB 4.09Å; F222-A226 HydrophobicContact CZ-CB 4.36Å; F222-A226 WeakPolarHBondContact O-CB 3.29Å; F222-A226 PolarHBondContact O-N 2.81Å; K223-A226 PolarHBondContact O-N 3.26Å; A226-M229 PolarHBondContact O-N 3.37Å; A226-Y230 WeakPolarHBondContact O-CB 3.21Å; A226-Y230 PolarHBondContact O-N 3.23Å
227L95Very high95.8Very high11 Ų1123.8 Ų23.86%0.05812%0.118CC..Hα-helixtrans-66.9-39.2177.5-68.6-178.2000112K223 L225 Y230 L231 F396K223-L227 HydrophobicContact CD-CD1 4.39Å; K223-L227 HydrophobicContact CG-CD1 3.91Å; K223-L227 HydrophobicContact CG-CG 4.21Å; K223-L227 WeakPolarHBondContact O-CB 3.38Å; K223-L227 VanDerWaalsContact O-CG 3.29Å; K223-L227 WeakPolarHBondContact O-CG 3.31Å; K223-L227 PolarHBondContact O-N 2.99Å; L225-L227 PolarHBondContact O-N 2.85Å; L227-Y230 PolarHBondContact O-N 2.87Å; L227-L231 WeakPolarHBondContact O-CB 3.33Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.29Å; L227-L231 PolarHBondContact O-N 3.22Å; L227-F396 HydrophobicContact CD1-CE2 4.15Å; L227-F396 HydrophobicContact CD1-CZ 4.26Å; L227-F396 HydrophobicContact CD2-CE1 3.93Å; L227-F396 HydrophobicContact CD2-CE2 4.12Å; L227-F396 HydrophobicContact CD2-CZ 3.48Å; L227-F396 VanDerWaalsContact CD2-CZ 3.48Å
228S96.1Very high95.7Very high1 Ų123.6 Ų23.61%0.00711%0.11CC..Hα-helixtrans-59-49.1175.4-62.70000110.9R224 L225 L231 L232R224-S228 VanDerWaalsContact O-CB 3.28Å; R224-S228 WeakPolarHBondContact O-CB 3.43Å; R224-S228 PolarHBondContact O-N 3.49Å; R224-S228 PolarHBondContact O-OG 3.03Å; L225-S228 WeakPolarHBondContact O-CB 3.38Å; L225-S228 PolarHBondContact O-N 2.85Å; S228-L231 PolarHBondContact O-N 3.18Å; S228-L232 WeakPolarHBondContact O-CG 3.32Å; S228-L232 PolarHBondContact O-N 3.47Å
229M97.7Very high95.4Very high0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-68.4-39-179.8-62.4-60.6106.700112V134 L202 L203 L225 A226 L231 L232 A233 L249 L275 L285V134-M229 HydrophobicContact CB-SD 4.35Å; V134-M229 HydrophobicContact CG1-CG 3.7Å; V134-M229 HydrophobicContact CG1-SD 3.7Å; V134-M229 HydrophobicContact CG2-SD 3.86Å; L202-M229 HydrophobicContact CD2-CB 4.15Å; L202-M229 HydrophobicContact CD2-CG 4Å; L203-M229 HydrophobicContact CD2-CB 3.72Å; L225-M229 HydrophobicContact CD1-CE 4.35Å; L225-M229 HydrophobicContact CD1-CG 4.03Å; L225-M229 HydrophobicContact CG-CG 4.35Å; L225-M229 VanDerWaalsContact O-CG 3.28Å; L225-M229 WeakPolarHBondContact O-CG 3.4Å; L225-M229 PolarHBondContact O-N 3.48Å; A226-M229 PolarHBondContact O-N 3.37Å; M229-L231 VanDerWaalsContact C-N 3.32Å; M229-L231 PolarHBondContact O-N 3.41Å; M229-L232 HydrophobicContact CE-CD1 3.9Å; M229-L232 PolarHBondContact O-N 3.14Å; M229-A233 VanDerWaalsContact O-CB 3.28Å; M229-A233 WeakPolarHBondContact O-CB 3.32Å; M229-A233 PolarHBondContact O-N 2.99Å; M229-L249 HydrophobicContact CE-CD1 3.81Å; M229-L249 HydrophobicContact CE-CD2 3.72Å; M229-L249 HydrophobicContact CE-CG 4.4Å; M229-L275 HydrophobicContact CE-CD1 3.72Å; M229-L275 HydrophobicContact SD-CD1 3.68Å; M229-L285 HydrophobicContact CB-CD1 4.28Å; M229-L285 WeakPolarHBondContact O-CD1 3.11Å; M229-L285 HydrophobicContact SD-CD1 3.88Å
230Y96.1Very high95.2Very high3 Ų336.4 Ų36.41%0.01217%0.165CC..Hα-helixtrans-59-45.4174.9-173-88000111.3L203 Y204 A226 L227 A233 H234 I407 V441 P442 L444L203-Y230 HydrophobicContact CB-CD2 4.36Å; L203-Y230 WeakPolarHBondContact O-CD2 3.45Å; Y204-Y230 HydrophobicContact CE1-CE2 4.42Å; A226-Y230 WeakPolarHBondContact O-CB 3.21Å; A226-Y230 PolarHBondContact O-N 3.23Å; L227-Y230 PolarHBondContact O-N 2.87Å; Y230-A233 PolarHBondContact O-N 2.82Å; Y230-H234 AromaticContact CE1-CD2 3.99Å; Y230-H234 WeakPolarHBondContact O-CB 3.46Å; Y230-H234 PolarHBondContact O-N 3.37Å; Y230-H234 VanDerWaalsContact O-N 3.09Å; Y230-I407 HydrophobicContact CE1-CD1 4.27Å; Y230-V441 HydrophobicContact CE2-CG1 3.96Å; Y230-P442 WeakPolarHBondContact OH-CD 3.45Å; Y230-P442 PolarHBondContact OH-O 3.46Å; Y230-L444 HydrophobicContact CD1-CD2 4.41Å; Y230-L444 HydrophobicContact CD2-CD1 4.14Å; Y230-L444 HydrophobicContact CD2-CD2 4.24Å; Y230-L444 HydrophobicContact CD2-CG 4.35Å; Y230-L444 HydrophobicContact CE1-CD2 3.9Å; Y230-L444 HydrophobicContact CE2-CD1 4.2Å; Y230-L444 HydrophobicContact CE2-CD2 3.7Å; Y230-L444 HydrophobicContact CE2-CG 3.9Å; Y230-L444 VanDerWaalsContact CZ-CD2 3.49Å
231L94.9Very high95Very high9 Ų933.5 Ų33.55%0.04715%0.15CC..Hα-helixtrans-67.2-42.6179.4-75.2175.5000112.8L227 S228 M229 A233 H234 Y238 V241 V245 K405L227-L231 WeakPolarHBondContact O-CB 3.33Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.29Å; L227-L231 PolarHBondContact O-N 3.22Å; S228-L231 PolarHBondContact O-N 3.18Å; M229-L231 VanDerWaalsContact C-N 3.32Å; M229-L231 PolarHBondContact O-N 3.41Å; L231-A233 VanDerWaalsContact C-N 3.29Å; L231-A233 PolarHBondContact O-N 3.13Å; L231-H234 WeakPolarHBondContact O-CB 3.24Å; L231-H234 PolarHBondContact O-N 3.45Å; L231-H234 VanDerWaalsContact O-N 3.16Å; L231-Y238 WeakPolarHBondContact O-CA 3.37Å; L231-V241 HydrophobicContact CB-CG2 3.89Å; L231-V245 HydrophobicContact CB-CG2 4.11Å; L231-V245 HydrophobicContact CD1-CG2 4.08Å; L231-K405 HydrophobicContact CD2-CD 4.02Å; L231-K405 HydrophobicContact CD2-CG 4.24Å
232L96.9Very high94.9Very high0 Ų033.9 Ų33.90%015%0.152CC..Hα-helixtrans-69.6-25.8176.8-68.7-179.2000113.1S228 M229 H234 Y238 V245 L249 L275 V279 P284 L285S228-L232 WeakPolarHBondContact O-CG 3.32Å; S228-L232 PolarHBondContact O-N 3.47Å; M229-L232 HydrophobicContact CE-CD1 3.9Å; M229-L232 PolarHBondContact O-N 3.14Å; L232-H234 VanDerWaalsContact C-N 3.35Å; L232-Y238 WeakPolarHBondContact O-CB 3.39Å; L232-V245 HydrophobicContact CD1-CG1 3.7Å; L232-V245 HydrophobicContact CD2-CB 4.17Å; L232-V245 HydrophobicContact CD2-CG1 3.97Å; L232-V245 HydrophobicContact CD2-CG2 4.38Å; L232-V245 HydrophobicContact CG-CB 4.42Å; L232-V245 HydrophobicContact CG-CG1 3.75Å; L232-L249 HydrophobicContact CD1-CD1 4.31Å; L232-L275 HydrophobicContact CD1-CB 3.98Å; L232-V279 HydrophobicContact CB-CG2 4.08Å; L232-V279 HydrophobicContact CD1-CG2 4.33Å; L232-V279 HydrophobicContact CD2-CB 4.24Å; L232-V279 HydrophobicContact CD2-CG1 3.97Å; L232-V279 HydrophobicContact CD2-CG2 4.09Å; L232-V279 HydrophobicContact CG-CG2 4.37Å; L232-P284 VanDerWaalsContact O-CA 3.27Å; L232-P284 WeakPolarHBondContact O-CA 3.28Å; L232-L285 HydrophobicContact CB-CD1 3.84Å; L232-L285 HydrophobicContact CB-CD2 4.11Å; L232-L285 HydrophobicContact CB-CG 3.73Å; L232-L285 PolarHBondContact O-N 3.4Å; L232-L285 VanDerWaalsContact O-N 3.12Å
233A96.7Very high94.8Very high4 Ų438.6 Ų38.63%0.03317%0.174CC..THydrogen-bonded Turntrans-84.7-8.9172.400000113.1M229 Y230 L231 L285 L444M229-A233 VanDerWaalsContact O-CB 3.28Å; M229-A233 WeakPolarHBondContact O-CB 3.32Å; M229-A233 PolarHBondContact O-N 2.99Å; Y230-A233 PolarHBondContact O-N 2.82Å; L231-A233 VanDerWaalsContact C-N 3.29Å; L231-A233 PolarHBondContact O-N 3.13Å; A233-L285 HydrophobicContact CB-CB 4.12Å; A233-L285 HydrophobicContact CB-CD1 4.14Å; A233-L285 HydrophobicContact CB-CG 4.37Å; A233-L444 HydrophobicContact CB-CD1 3.56Å
234H94.8Very high94.7Very high6 Ų640.1 Ų40.13%0.02819%0.189CC..  trans-79.1122.1-173.4-167.8-73.5000111.8Y230 L231 L232 Q236 F237 Y238 L444Y230-H234 AromaticContact CE1-CD2 3.99Å; Y230-H234 WeakPolarHBondContact O-CB 3.46Å; Y230-H234 PolarHBondContact O-N 3.37Å; Y230-H234 VanDerWaalsContact O-N 3.09Å; L231-H234 WeakPolarHBondContact O-CB 3.24Å; L231-H234 PolarHBondContact O-N 3.45Å; L231-H234 VanDerWaalsContact O-N 3.16Å; L232-H234 VanDerWaalsContact C-N 3.35Å; H234-Q236 VanDerWaalsContact C-N 3.27Å; H234-Q236 PolarHBondContact ND1-N 2.93Å; H234-Q236 PolarHBondContact O-N 3.15Å; H234-Q236 VanDerWaalsContact O-N 3.13Å; H234-F237 HydrophobicContact CB-CB 4.09Å; H234-F237 HydrophobicContact CB-CD2 4.35Å; H234-F237 AromaticContact CD2-CD2 3.74Å; H234-F237 AromaticContact CE1-CD2 3.39Å; H234-F237 WeakPolarHBondContact CE1-CD2 3.24Å; H234-F237 AromaticContact CE1-CE2 3.54Å; H234-F237 AromaticContact CE1-CG 3.92Å; H234-F237 AromaticContact CG-CD2 3.57Å; H234-F237 AromaticContact ND1-CD2 3.34Å; H234-F237 VanDerWaalsContact ND1-CD2 3.34Å; H234-F237 WeakPolarHBondContact ND1-CD2 3.43Å; H234-F237 AromaticContact ND1-CE2 3.99Å; H234-F237 AromaticContact ND1-CG 3.58Å; H234-F237 PolarHBondContact ND1-N 2.99Å; H234-F237 AromaticContact NE2-CD2 3.63Å; H234-F237 AromaticContact NE2-CE2 3.64Å; H234-F237 PolarHBondContact O-N 3.07Å; H234-Y238 WeakPolarHBondContact O-CB 3.32Å; H234-Y238 WeakPolarHBondContact O-CD1 3.39Å; H234-Y238 PolarHBondContact O-N 2.93Å; H234-Y238 VanDerWaalsContact O-N 3.11Å; H234-L444 HydrophobicContact CB-CD2 4.12Å
235P92.9Very high94.7Very high43 Ų4335.8 Ų35.828%0.27917%0.173SC..THydrogen-bonded Turntrans-60.9-32.1-17021.9-32.6000113.8Y238 V447P235-Y238 WeakPolarHBondContact O-CD1 3.32Å; P235-Y238 WeakPolarHBondContact O-CE1 3.46Å; P235-V447 HydrophobicContact CG-CB 3.81Å; P235-V447 HydrophobicContact CG-CG1 3.94Å; P235-V447 WeakPolarHBondContact CG-O 3.45Å
236Q90Very high94.7Very high92 Ų9237.3 Ų37.343%0.4318%0.178SC..THydrogen-bonded Turntrans-94.9-21.6179.3-59.2-171.4-28.500115.6H234 V447 M448H234-Q236 VanDerWaalsContact C-N 3.27Å; H234-Q236 PolarHBondContact ND1-N 2.93Å; H234-Q236 PolarHBondContact O-N 3.15Å; H234-Q236 VanDerWaalsContact O-N 3.13Å; Q236-V447 HydrophobicContact CG-CG1 4.37Å; Q236-M448 WeakPolarHBondContact CG-O 3.18Å; Q236-M448 PolarHBondContact NE2-O 2.86Å
237F90.1Very high94.6Very high44 Ų4441.2 Ų41.219%0.19320%0.197CC..THydrogen-bonded Turntrans-107.3-23.7-167.2-65.9-34000113.3H234 N239 R240 V241 N404H234-F237 HydrophobicContact CB-CB 4.09Å; H234-F237 HydrophobicContact CB-CD2 4.35Å; H234-F237 AromaticContact CD2-CD2 3.74Å; H234-F237 AromaticContact CE1-CD2 3.39Å; H234-F237 WeakPolarHBondContact CE1-CD2 3.24Å; H234-F237 AromaticContact CE1-CE2 3.54Å; H234-F237 AromaticContact CE1-CG 3.92Å; H234-F237 AromaticContact CG-CD2 3.57Å; H234-F237 AromaticContact ND1-CD2 3.34Å; H234-F237 VanDerWaalsContact ND1-CD2 3.34Å; H234-F237 WeakPolarHBondContact ND1-CD2 3.43Å; H234-F237 AromaticContact ND1-CE2 3.99Å; H234-F237 AromaticContact ND1-CG 3.58Å; H234-F237 PolarHBondContact ND1-N 2.99Å; H234-F237 AromaticContact NE2-CD2 3.63Å; H234-F237 AromaticContact NE2-CE2 3.64Å; H234-F237 PolarHBondContact O-N 3.07Å; F237-N239 PolarHBondContact O-N 3.11Å; F237-R240 PolarHBondContact O-N 3.23Å; F237-V241 VanDerWaalsContact O-CG2 3.23Å; F237-V241 WeakPolarHBondContact O-CG2 3.34Å; F237-V241 PolarHBondContact O-N 2.93Å; F237-N404 WeakPolarHBondContact CZ-O 3.42Å
238Y93.7Very high94.7Very high56 Ų5641.5 Ų41.522%0.2220%0.199CC..Hα-helixtrans-49.4-43.4-171.676.7-90.8000112.5L231 L232 H234 P235 I242 V279 P284L231-Y238 WeakPolarHBondContact O-CA 3.37Å; L232-Y238 WeakPolarHBondContact O-CB 3.39Å; H234-Y238 WeakPolarHBondContact O-CB 3.32Å; H234-Y238 WeakPolarHBondContact O-CD1 3.39Å; H234-Y238 PolarHBondContact O-N 2.93Å; H234-Y238 VanDerWaalsContact O-N 3.11Å; P235-Y238 WeakPolarHBondContact O-CD1 3.32Å; P235-Y238 WeakPolarHBondContact O-CE1 3.46Å; Y238-I242 WeakPolarHBondContact O-CG1 3.34Å; Y238-V279 HydrophobicContact CD2-CG1 3.38Å; Y238-V279 HydrophobicContact CE2-CG1 4.29Å; Y238-V279 HydrophobicContact CG-CG1 4.06Å; Y238-P284 HydrophobicContact CD1-CB 4.05Å; Y238-P284 HydrophobicContact CD1-CG 4.31Å; Y238-P284 HydrophobicContact CE1-CG 4.4Å; Y238-P284 HydrophobicContact CG-CB 4.2Å
239N92.9Very high94.7Very high89 Ų8941.4 Ų41.448%0.47620%0.198SC..Hα-helixtrans-73.1-28.6-176.164.2-11.4000114F237F237-N239 PolarHBondContact O-N 3.11Å
240R93Very high94.7Very high202 Ų20245.5 Ų45.576%0.76221%0.214SC*.Hα-helixtrans-83.5-20-178.4-67.2174-170-178.33.3112.9F237F237-R240 PolarHBondContact O-N 3.23Å
241V92.2Very high94.7Very high21 Ų2148.1 Ų48.113%0.12723%0.228CC..Hα-helixtrans-110.41.4-170.3-58.40000113.8L231 F237 E243 S244 V245L231-V241 HydrophobicContact CB-CG2 3.89Å; F237-V241 VanDerWaalsContact O-CG2 3.23Å; F237-V241 WeakPolarHBondContact O-CG2 3.34Å; F237-V241 PolarHBondContact O-N 2.93Å; V241-E243 VanDerWaalsContact C-N 3.34Å; V241-E243 PolarHBondContact O-N 3.38Å; V241-S244 PolarHBondContact O-N 2.93Å; V241-V245 HydrophobicContact CB-CG2 4.17Å; V241-V245 HydrophobicContact CG2-CG2 3.93Å; V241-V245 WeakPolarHBondContact O-CB 3.48Å; V241-V245 WeakPolarHBondContact O-CG2 3.24Å; V241-V245 PolarHBondContact O-N 3.07Å
242I95.6Very high94.8Very high9 Ų947.7 Ų47.75%0.04623%0.226CC..Hα-helixtrans-50.2-50.9-173.5-60.1-170.1000112.3Y238 V245 R246 P276 V279 R280Y238-I242 WeakPolarHBondContact O-CG1 3.34Å; I242-V245 PolarHBondContact O-N 3.04Å; I242-R246 PolarHBondContact O-N 3.13Å; I242-P276 HydrophobicContact CG2-CB 3.57Å; I242-P276 VanDerWaalsContact CG2-O 3.27Å; I242-P276 WeakPolarHBondContact CG2-O 3.25Å; I242-V279 HydrophobicContact CD1-CG1 4.41Å; I242-R280 HydrophobicContact CD1-CB 3.74Å; I242-R280 HydrophobicContact CD1-CG 4.27Å; I242-R280 VanDerWaalsContact CG2-NH2 3.28Å
243E95.5Very high94.9Very high98 Ų9847.8 Ų47.846%0.45823%0.226SC..Hα-helixtrans-67.3-43.5-177-64.3-55.4126.700112.6V241 V245 R246 M247 R280V241-E243 VanDerWaalsContact C-N 3.34Å; V241-E243 PolarHBondContact O-N 3.38Å; E243-V245 VanDerWaalsContact C-N 3.34Å; E243-V245 PolarHBondContact O-N 3.39Å; E243-R246 WeakPolarHBondContact O-CB 3.42Å; E243-R246 PolarHBondContact O-N 2.82Å; E243-R246 IonicContact OE1-CZ 3.84Å; E243-R246 IonicContact OE1-NH1 3.47Å; E243-R246 PolarHBondContact OE1-NH1 2.71Å; E243-R246 IonicContact OE1-NH2 3.83Å; E243-R246 PolarHBondContact OE1-NH2 3.19Å; E243-R246 IonicContact OE2-CZ 3.78Å; E243-R246 IonicContact OE2-NH1 3.7Å; E243-R246 PolarHBondContact OE2-NH1 2.81Å; E243-M247 PolarHBondContact O-N 3.47Å; E243-R280 IonicContact OE1-CZ 2.63Å; E243-R280 IonicContact OE1-NH2 2.73Å; E243-R280 PolarHBondContact OE1-NH2 3.03Å
244S94.5Very high94.9Very high63 Ų6354.1 Ų54.144%0.44125%0.249SC..Hα-helixtrans-61.1-45.6175.5-177.80000110.9V241 R246 M247 D248V241-S244 PolarHBondContact O-N 2.93Å; S244-R246 VanDerWaalsContact C-N 3.32Å; S244-R246 PolarHBondContact O-N 2.83Å; S244-M247 PolarHBondContact O-N 3.25Å; S244-D248 PolarHBondContact O-N 3.46Å
245V96Very high95.1Very high0 Ų057.9 Ų57.90%027%0.266CS..Hα-helixtrans-66.5-35.2179.7173.60000111.1L231 L232 V241 I242 E243 M247 D248 L249L231-V245 HydrophobicContact CB-CG2 4.11Å; L231-V245 HydrophobicContact CD1-CG2 4.08Å; L232-V245 HydrophobicContact CD1-CG1 3.7Å; L232-V245 HydrophobicContact CD2-CB 4.17Å; L232-V245 HydrophobicContact CD2-CG1 3.97Å; L232-V245 HydrophobicContact CD2-CG2 4.38Å; L232-V245 HydrophobicContact CG-CB 4.42Å; L232-V245 HydrophobicContact CG-CG1 3.75Å; V241-V245 HydrophobicContact CB-CG2 4.17Å; V241-V245 HydrophobicContact CG2-CG2 3.93Å; V241-V245 WeakPolarHBondContact O-CB 3.48Å; V241-V245 WeakPolarHBondContact O-CG2 3.24Å; V241-V245 PolarHBondContact O-N 3.07Å; I242-V245 PolarHBondContact O-N 3.04Å; E243-V245 VanDerWaalsContact C-N 3.34Å; E243-V245 PolarHBondContact O-N 3.39Å; V245-M247 VanDerWaalsContact C-N 3.29Å; V245-M247 PolarHBondContact O-N 3.26Å; V245-D248 PolarHBondContact O-N 3.46Å; V245-D248 VanDerWaalsContact O-N 3.17Å; V245-L249 HydrophobicContact CG1-CD1 3.72Å; V245-L249 HydrophobicContact CG1-CG 4.02Å; V245-L249 WeakPolarHBondContact O-CG 3.44Å; V245-L249 PolarHBondContact O-N 3.37Å
246R96.7Very high95.3Very high32 Ų3255.9 Ų55.912%0.12125%0.252CS..Hα-helixtrans-57.8-44.5173.2-169-178.1-66.6125.2-3.8111.4I242 E243 S244 L249 R250 P276 D277 R280I242-R246 PolarHBondContact O-N 3.13Å; E243-R246 WeakPolarHBondContact O-CB 3.42Å; E243-R246 PolarHBondContact O-N 2.82Å; E243-R246 IonicContact OE1-CZ 3.84Å; E243-R246 IonicContact OE1-NH1 3.47Å; E243-R246 PolarHBondContact OE1-NH1 2.71Å; E243-R246 IonicContact OE1-NH2 3.83Å; E243-R246 PolarHBondContact OE1-NH2 3.19Å; E243-R246 IonicContact OE2-CZ 3.78Å; E243-R246 IonicContact OE2-NH1 3.7Å; E243-R246 PolarHBondContact OE2-NH1 2.81Å; S244-R246 VanDerWaalsContact C-N 3.32Å; S244-R246 PolarHBondContact O-N 2.83Å; R246-L249 PolarHBondContact O-N 3.25Å; R246-R250 WeakPolarHBondContact O-CG 3.45Å; R246-R250 PolarHBondContact O-N 3.12Å; R246-P276 HydrophobicContact CB-CB 4.13Å; R246-P276 HydrophobicContact CB-CG 3.83Å; R246-P276 HydrophobicContact CG-CG 4.23Å; R246-D277 IonicContact CZ-OD1 2.67Å; R246-D277 IonicContact NH2-OD1 2.67Å; R246-D277 PolarHBondContact NH2-OD1 2.93Å; R246-R280 VanDerWaalsContact NH2-NH1 3.11Å
247M95.9Very high95.6Very high83 Ų8354.5 Ų54.541%0.40925%0.246SC..Hα-helixtrans-65.7-40.2176.5-65.1-54.4102.100111.8E243 S244 V245 L249 R250 N251E243-M247 PolarHBondContact O-N 3.47Å; S244-M247 PolarHBondContact O-N 3.25Å; V245-M247 VanDerWaalsContact C-N 3.29Å; V245-M247 PolarHBondContact O-N 3.26Å; M247-L249 PolarHBondContact O-N 3.47Å; M247-R250 PolarHBondContact O-N 3.23Å; M247-N251 WeakPolarHBondContact O-CB 3.44Å; M247-N251 PolarHBondContact O-N 3.12Å; M247-N251 PolarHBondContact O-ND2 3.15Å
248D96.1Very high95.9Very high16 Ų1656.5 Ų56.59%0.08626%0.264CS..Hα-helixtrans-61.5-42.1174.8-79.5-37.3000112.3R224 S244 V245 N251 F252R224-D248 WeakPolarHBondContact CD-O 3.01Å; R224-D248 HydrophobicContact CG-CB 3.93Å; R224-D248 IonicContact CZ-OD1 3.8Å; R224-D248 IonicContact NH1-OD1 3.81Å; R224-D248 PolarHBondContact NH1-OD1 2.93Å; S244-D248 PolarHBondContact O-N 3.46Å; V245-D248 PolarHBondContact O-N 3.46Å; V245-D248 VanDerWaalsContact O-N 3.17Å; D248-N251 CarbonylContact O-C 3.55Å; D248-N251 PolarHBondContact O-N 3.4Å; D248-F252 WeakPolarHBondContact O-CB 3.41Å; D248-F252 PolarHBondContact O-N 3.04Å
249L97.5Very high96Very high0 Ų054.3 Ų54.30%026%0.257CS..Hα-helixtrans-69.2-38.5179.7-67.4172.8000111.8L225 M229 L232 V245 R246 M247 N251 F252 L253 P272 Q273 P276L225-L249 HydrophobicContact CD1-CD2 4.2Å; M229-L249 HydrophobicContact CE-CD1 3.81Å; M229-L249 HydrophobicContact CE-CD2 3.72Å; M229-L249 HydrophobicContact CE-CG 4.4Å; L232-L249 HydrophobicContact CD1-CD1 4.31Å; V245-L249 HydrophobicContact CG1-CD1 3.72Å; V245-L249 HydrophobicContact CG1-CG 4.02Å; V245-L249 WeakPolarHBondContact O-CG 3.44Å; V245-L249 PolarHBondContact O-N 3.37Å; R246-L249 PolarHBondContact O-N 3.25Å; M247-L249 PolarHBondContact O-N 3.47Å; L249-N251 VanDerWaalsContact C-N 3.34Å; L249-N251 PolarHBondContact O-N 3.02Å; L249-F252 WeakPolarHBondContact O-CB 3.24Å; L249-F252 PolarHBondContact O-N 3.11Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.42Å; L249-P272 WeakPolarHBondContact CD1-O 3.44Å; L249-P272 HydrophobicContact CD2-CB 4.45Å; L249-Q273 HydrophobicContact CB-CB 4.46Å; L249-P276 HydrophobicContact CD1-CG 4.21Å
250R96.8Very high96.2Very high86 Ų8650.8 Ų50.833%0.32524%0.237SC..Hα-helixtrans-60.7-42.9171-71.4178.6177.9179.9-0.6112.1R246 M247 F252 L253 R254R246-R250 WeakPolarHBondContact O-CG 3.45Å; R246-R250 PolarHBondContact O-N 3.12Å; M247-R250 PolarHBondContact O-N 3.23Å; R250-F252 VanDerWaalsContact C-N 3.32Å; R250-F252 PolarHBondContact O-N 3.48Å; R250-L253 PolarHBondContact O-N 2.96Å; R250-R254 WeakPolarHBondContact O-CG 3.31Å; R250-R254 PolarHBondContact O-N 3.42Å; R250-R254 VanDerWaalsContact O-N 3.1Å
251N96.4Very high96.4Very high57 Ų5742 Ų4231%0.30521%0.21SC..Hα-helixtrans-68.4-31.7175.9-72.9-32.9000112.6M247 D248 L249 R254 K255M247-N251 WeakPolarHBondContact O-CB 3.44Å; M247-N251 PolarHBondContact O-N 3.12Å; M247-N251 PolarHBondContact O-ND2 3.15Å; D248-N251 CarbonylContact O-C 3.55Å; D248-N251 PolarHBondContact O-N 3.4Å; L249-N251 VanDerWaalsContact C-N 3.34Å; L249-N251 PolarHBondContact O-N 3.02Å; N251-R254 PolarHBondContact OD1-NH1 3.16Å; N251-K255 WeakPolarHBondContact O-CB 3.47Å; N251-K255 PolarHBondContact O-N 2.84Å
252F97.8Very high96.6Very high0 Ų042.8 Ų42.80%022%0.216CC..Hα-helixtrans-60-47.1170.6161.4-97.9000110.4V138 L142 N221 R224 L225 D248 L249 R250 K255 Y256 V269V138-F252 HydrophobicContact CG1-CZ 3.96Å; L142-F252 HydrophobicContact CD1-CE2 4.49Å; N221-F252 VanDerWaalsContact ND2-CD2 3.29Å; N221-F252 WeakPolarHBondContact ND2-CD2 3.2Å; N221-F252 PolarHBondContact ND2-O 3.23Å; N221-F252 WeakPolarHBondContact O-CD2 3.29Å; N221-F252 WeakPolarHBondContact OD1-CE2 3.29Å; R224-F252 HydrophobicContact CG-CB 4.36Å; L225-F252 HydrophobicContact CB-CD2 3.82Å; L225-F252 HydrophobicContact CB-CE2 3.77Å; L225-F252 HydrophobicContact CB-CG 4.45Å; L225-F252 HydrophobicContact CB-CZ 4.35Å; L225-F252 HydrophobicContact CD1-CE1 4.34Å; L225-F252 HydrophobicContact CD1-CZ 4.33Å; L225-F252 HydrophobicContact CD2-CE2 4.13Å; L225-F252 HydrophobicContact CD2-CZ 4.07Å; L225-F252 HydrophobicContact CG-CE2 4.37Å; L225-F252 HydrophobicContact CG-CZ 4.49Å; D248-F252 WeakPolarHBondContact O-CB 3.41Å; D248-F252 PolarHBondContact O-N 3.04Å; L249-F252 WeakPolarHBondContact O-CB 3.24Å; L249-F252 PolarHBondContact O-N 3.11Å; R250-F252 VanDerWaalsContact C-N 3.32Å; R250-F252 PolarHBondContact O-N 3.48Å; F252-K255 PolarHBondContact O-N 2.93Å; F252-Y256 HydrophobicContact CE1-CD2 4.38Å; F252-Y256 HydrophobicContact CE2-CD2 4.13Å; F252-Y256 AromaticContact CZ-CD2 3.71Å; F252-Y256 HydrophobicContact CZ-CD2 3.71Å; F252-Y256 HydrophobicContact CZ-CE2 4.42Å; F252-Y256 WeakPolarHBondContact O-CB 3.42Å; F252-Y256 PolarHBondContact O-N 3.04Å; F252-V269 HydrophobicContact CE1-CG1 4.33Å
253L98Very high96.6Very high3 Ų345.3 Ų45.32%0.01623%0.227CC..Hα-helixtrans-64.8-43.4179.4-57179.2000113.1N89 L249 R250 K255 Y256 E257 V269 Q273N89-L253 PolarHBondContact ND2-O 3.19Å; N89-L253 VanDerWaalsContact ND2-O 3.12Å; N89-L253 WeakPolarHBondContact OD1-CB 3.34Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.42Å; R250-L253 PolarHBondContact O-N 2.96Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.06Å; L253-Y256 WeakPolarHBondContact O-CB 3.44Å; L253-Y256 PolarHBondContact O-N 2.93Å; L253-E257 PolarHBondContact O-N 3.22Å; L253-V269 HydrophobicContact CD2-CG1 4.03Å; L253-V269 WeakPolarHBondContact CD2-O 3.43Å; L253-Q273 HydrophobicContact CD1-CB 4.02Å; L253-Q273 HydrophobicContact CD1-CG 4.32Å; L253-Q273 VanDerWaalsContact CD1-NE2 3.28Å
254R97.4Very high96.7Very high136 Ų13641.1 Ų41.151%0.51321%0.208SC..Hα-helixtrans-57.6-46.5175-70.2174.6-178.5161.8-4.4111.2N89 R250 N251 C258N89-R254 WeakPolarHBondContact ND2-CA 3.49Å; R250-R254 WeakPolarHBondContact O-CG 3.31Å; R250-R254 PolarHBondContact O-N 3.42Å; R250-R254 VanDerWaalsContact O-N 3.1Å; N251-R254 PolarHBondContact OD1-NH1 3.16Å; R254-C258 PolarHBondContact O-N 2.82Å; R254-C258 PolarHBondContact O-SG 3.07Å; R254-C258 VanDerWaalsContact O-SG 3.4Å
255K97.3Very high96.8Very high86 Ų8638.2 Ų38.237%0.37419%0.188SC..Hα-helixtrans-74.3-31.1179.9-171.961.3176-176.90112.4N221 N251 F252 L253 E257 C258 C259N221-K255 HydrophobicContact CB-CG 4.06Å; N251-K255 WeakPolarHBondContact O-CB 3.47Å; N251-K255 PolarHBondContact O-N 2.84Å; F252-K255 PolarHBondContact O-N 2.93Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.06Å; K255-E257 VanDerWaalsContact C-N 3.31Å; K255-E257 PolarHBondContact O-N 3.39Å; K255-C258 HydrophobicContact CD-CB 4.42Å; K255-C258 PolarHBondContact O-N 2.75Å; K255-C259 WeakPolarHBondContact O-CB 3.24Å; K255-C259 PolarHBondContact O-N 2.86Å; K255-C259 PolarHBondContact O-SG 3.03Å
256Y98Very high96.9Very high0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-59.1-46.3174.9-177.6-75.5000109.8K141 L142 F145 N221 F252 L253 C258 C259 Y260 N264 L265 V269K141-Y256 WeakPolarHBondContact CD-OH 3.45Å; K141-Y256 WeakPolarHBondContact CE-OH 3.37Å; L142-Y256 HydrophobicContact CD2-CD2 3.98Å; L142-Y256 HydrophobicContact CD2-CE2 3.62Å; L142-Y256 HydrophobicContact CG-CE2 4.45Å; F145-Y256 WeakPolarHBondContact CE2-OH 2.94Å; N221-Y256 PolarHBondContact ND2-N 2.99Å; F252-Y256 HydrophobicContact CE1-CD2 4.38Å; F252-Y256 HydrophobicContact CE2-CD2 4.13Å; F252-Y256 AromaticContact CZ-CD2 3.71Å; F252-Y256 HydrophobicContact CZ-CD2 3.71Å; F252-Y256 HydrophobicContact CZ-CE2 4.42Å; F252-Y256 WeakPolarHBondContact O-CB 3.42Å; F252-Y256 PolarHBondContact O-N 3.04Å; L253-Y256 WeakPolarHBondContact O-CB 3.44Å; L253-Y256 PolarHBondContact O-N 2.93Å; Y256-C258 PolarHBondContact O-N 2.9Å; Y256-C259 PolarHBondContact O-N 3.21Å; Y256-C259 VanDerWaalsContact O-N 3.09Å; Y256-Y260 AromaticContact CD1-CD2 3.94Å; Y256-Y260 HydrophobicContact CD1-CD2 3.94Å; Y256-Y260 AromaticContact CD2-CD2 3.4Å; Y256-Y260 HydrophobicContact CD2-CD2 3.4Å; Y256-Y260 VanDerWaalsContact CD2-CD2 3.4Å; Y256-Y260 AromaticContact CD2-CE2 3.76Å; Y256-Y260 HydrophobicContact CD2-CE2 3.76Å; Y256-Y260 HydrophobicContact CD2-CG 4.48Å; Y256-Y260 HydrophobicContact CE1-CD2 4.05Å; Y256-Y260 HydrophobicContact CE1-CG 4.38Å; Y256-Y260 AromaticContact CE2-CD2 3.55Å; Y256-Y260 HydrophobicContact CE2-CD2 3.55Å; Y256-Y260 HydrophobicContact CE2-CE2 4.05Å; Y256-Y260 HydrophobicContact CE2-CG 4.29Å; Y256-Y260 AromaticContact CG-CD2 3.61Å; Y256-Y260 HydrophobicContact CG-CD2 3.61Å; Y256-Y260 HydrophobicContact CG-CE2 4.26Å; Y256-Y260 AromaticContact CZ-CD2 3.88Å; Y256-Y260 VanDerWaalsContact O-CD2 3.32Å; Y256-Y260 WeakPolarHBondContact O-CD2 2.98Å; Y256-Y260 PolarHBondContact O-N 3.39Å; Y256-N264 HydrophobicContact CE1-CB 4.04Å; Y256-N264 WeakPolarHBondContact CE1-O 3.49Å; Y256-N264 PolarHBondContact OH-O 2.77Å; Y256-L265 HydrophobicContact CD1-CD2 3.64Å; Y256-L265 HydrophobicContact CD1-CG 4.45Å; Y256-L265 HydrophobicContact CE1-CD2 4.28Å; Y256-L265 HydrophobicContact CG-CD2 4.41Å; Y256-V269 HydrophobicContact CD1-CG1 3.78Å; Y256-V269 HydrophobicContact CD2-CG1 3.81Å; Y256-V269 HydrophobicContact CE1-CG1 3.74Å; Y256-V269 HydrophobicContact CE1-CG2 4.27Å; Y256-V269 HydrophobicContact CE2-CG1 3.76Å; Y256-V269 HydrophobicContact CE2-CG2 4.03Å; Y256-V269 HydrophobicContact CG-CG1 3.82Å; Y256-V269 WeakPolarHBondContact OH-CG2 3.43Å
257E97Very high96.9Very high64 Ų6438 Ų3830%0.29919%0.189SC..Hα-helixtrans-56.2-46.9176-174.4171.2-168.200112.2N89 L253 K255 C259 G261 C262 L265N89-E257 PolarHBondContact ND2-OE2 2.61Å; L253-E257 PolarHBondContact O-N 3.22Å; K255-E257 VanDerWaalsContact C-N 3.31Å; K255-E257 PolarHBondContact O-N 3.39Å; E257-C259 VanDerWaalsContact C-N 3.28Å; E257-C259 PolarHBondContact O-N 3.47Å; E257-G261 VanDerWaalsContact O-CA 3.29Å; E257-G261 WeakPolarHBondContact O-CA 3.22Å; E257-G261 PolarHBondContact O-N 2.79Å; E257-C262 HydrophobicContact CG-CB 3.85Å; E257-C262 VanDerWaalsContact OE1-CB 3.24Å; E257-C262 WeakPolarHBondContact OE1-CB 3.49Å; E257-L265 HydrophobicContact CB-CD1 4.11Å; E257-L265 HydrophobicContact CG-CD1 4.15Å
258C96Very high96.9Very high85 Ų8536.4 Ų36.457%0.57418%0.182SC*.Hα-helixtrans-64.2-32.2177.2-55.60000113.5R254 K255 Y256R254-C258 PolarHBondContact O-N 2.82Å; R254-C258 PolarHBondContact O-SG 3.07Å; R254-C258 VanDerWaalsContact O-SG 3.4Å; K255-C258 HydrophobicContact CD-CB 4.42Å; K255-C258 PolarHBondContact O-N 2.75Å; Y256-C258 PolarHBondContact O-N 2.9Å
259C96.6Very high97Very high11 Ų1135.6 Ų35.67%0.07418%0.178CC..Hα-helixtrans-84.2-41.3-175.3-73.80000112.4L218 K255 Y256 E257L218-C259 HydrophobicContact CD2-CB 3.74Å; K255-C259 WeakPolarHBondContact O-CB 3.24Å; K255-C259 PolarHBondContact O-N 2.86Å; K255-C259 PolarHBondContact O-SG 3.03Å; Y256-C259 PolarHBondContact O-N 3.21Å; Y256-C259 VanDerWaalsContact O-N 3.09Å; E257-C259 VanDerWaalsContact C-N 3.28Å; E257-C259 PolarHBondContact O-N 3.47Å
260Y96.8Very high97Very high14 Ų1435.7 Ų35.76%0.05518%0.179CC..Hα-helixtrans-124.1-2.7-165.7-49.7-67.4000113.8L142 F145 W146 L218 N221 Y256 N264L142-Y260 HydrophobicContact CD2-CD2 4.09Å; L142-Y260 HydrophobicContact CD2-CE1 4.33Å; L142-Y260 HydrophobicContact CD2-CE2 3.4Å; F145-Y260 HydrophobicContact CB-CD1 3.96Å; F145-Y260 HydrophobicContact CB-CE1 4.17Å; F145-Y260 AromaticContact CD2-CD1 3.97Å; F145-Y260 HydrophobicContact CD2-CD1 3.97Å; F145-Y260 HydrophobicContact CD2-CG 4.2Å; F145-Y260 AromaticContact CG-CD1 4Å; F145-Y260 HydrophobicContact CG-CD1 4Å; W146-Y260 AromaticContact NE1-CE1 3.87Å; W146-Y260 AromaticContact NE1-CZ 3.85Å; W146-Y260 PolarHBondContact NE1-OH 3.26Å; W146-Y260 VanDerWaalsContact NE1-OH 3.13Å; L218-Y260 HydrophobicContact CD2-CE1 3.8Å; N221-Y260 WeakPolarHBondContact OD1-CE2 3.36Å; Y256-Y260 AromaticContact CD1-CD2 3.94Å; Y256-Y260 HydrophobicContact CD1-CD2 3.94Å; Y256-Y260 AromaticContact CD2-CD2 3.4Å; Y256-Y260 HydrophobicContact CD2-CD2 3.4Å; Y256-Y260 VanDerWaalsContact CD2-CD2 3.4Å; Y256-Y260 AromaticContact CD2-CE2 3.76Å; Y256-Y260 HydrophobicContact CD2-CE2 3.76Å; Y256-Y260 HydrophobicContact CD2-CG 4.48Å; Y256-Y260 HydrophobicContact CE1-CD2 4.05Å; Y256-Y260 HydrophobicContact CE1-CG 4.38Å; Y256-Y260 AromaticContact CE2-CD2 3.55Å; Y256-Y260 HydrophobicContact CE2-CD2 3.55Å; Y256-Y260 HydrophobicContact CE2-CE2 4.05Å; Y256-Y260 HydrophobicContact CE2-CG 4.29Å; Y256-Y260 AromaticContact CG-CD2 3.61Å; Y256-Y260 HydrophobicContact CG-CD2 3.61Å; Y256-Y260 HydrophobicContact CG-CE2 4.26Å; Y256-Y260 AromaticContact CZ-CD2 3.88Å; Y256-Y260 VanDerWaalsContact O-CD2 3.32Å; Y256-Y260 WeakPolarHBondContact O-CD2 2.98Å; Y256-Y260 PolarHBondContact O-N 3.39Å; Y260-N264 PolarHBondContact O-ND2 3.02Å
261G95.7Very high97Very high19 Ų1931.6 Ų31.620%0.19616%0.164CC..  trans90147.3179.300000113.6E257 E263 N264E257-G261 VanDerWaalsContact O-CA 3.29Å; E257-G261 WeakPolarHBondContact O-CA 3.22Å; E257-G261 PolarHBondContact O-N 2.79Å; G261-E263 VanDerWaalsContact C-N 3.26Å; G261-E263 VanDerWaalsContact C-OE2 3.26Å; G261-E263 VanDerWaalsContact CA-OE2 3.32Å; G261-E263 WeakPolarHBondContact CA-OE2 2.99Å; G261-E263 PolarHBondContact O-N 3.41Å; G261-N264 PolarHBondContact O-N 3.22Å
262C96.4Very high97.1Very high36 Ų3628.9 Ų28.924%0.24315%0.149CC..G310 helixtrans-67.1-27.6-179.167.80000112.8E257 N264 L265E257-C262 HydrophobicContact CG-CB 3.85Å; E257-C262 VanDerWaalsContact OE1-CB 3.24Å; E257-C262 WeakPolarHBondContact OE1-CB 3.49Å; C262-N264 PolarHBondContact O-N 3.42Å; C262-N264 VanDerWaalsContact O-N 3.12Å; C262-L265 WeakPolarHBondContact O-CB 3.46Å; C262-L265 PolarHBondContact O-N 3.09Å
263E96.7Very high97.1Very high62 Ų6229.9 Ų29.929%0.2915%0.153SC..G310 helixtrans-64-13.9174.973.4-73.5176.500113.1L81 D82 T86 G261L81-E263 HydrophobicContact CB-CB 3.84Å; D82-E263 HydrophobicContact CB-CB 4.1Å; D82-E263 HydrophobicContact CB-CG 4.27Å; T86-E263 WeakPolarHBondContact CG2-O 3.47Å; G261-E263 VanDerWaalsContact C-N 3.26Å; G261-E263 VanDerWaalsContact C-OE2 3.26Å; G261-E263 VanDerWaalsContact CA-OE2 3.32Å; G261-E263 WeakPolarHBondContact CA-OE2 2.99Å; G261-E263 PolarHBondContact O-N 3.41Å
264N97Very high97.1Very high10 Ų1030 Ų305%0.05315%0.154CC..G310 helixtrans-106.33.7-178.9-64.3-58000113.8K84 F145 Y256 Y260 G261 C262 V266K84-N264 PolarHBondContact NZ-OD1 2.84Å; F145-N264 HydrophobicContact CE2-CB 4.07Å; F145-N264 HydrophobicContact CZ-CB 3.75Å; F145-N264 WeakPolarHBondContact CZ-OD1 3.35Å; Y256-N264 HydrophobicContact CE1-CB 4.04Å; Y256-N264 WeakPolarHBondContact CE1-O 3.49Å; Y256-N264 PolarHBondContact OH-O 2.77Å; Y260-N264 PolarHBondContact O-ND2 3.02Å; G261-N264 PolarHBondContact O-N 3.22Å; C262-N264 PolarHBondContact O-N 3.42Å; C262-N264 VanDerWaalsContact O-N 3.12Å; N264-V266 PolarHBondContact O-N 2.96Å
265L97.3Very high97.1Very high2 Ų223.6 Ų23.61%0.0113%0.13CC..  trans-75.262.3167.4-66.8173.4000110.4T86 F87 Y256 E257 C262 V269T86-L265 CarbonylContact C-O 3.58Å; T86-L265 WeakPolarHBondContact CA-O 3.41Å; F87-L265 PolarHBondContact N-O 3.19Å; Y256-L265 HydrophobicContact CD1-CD2 3.64Å; Y256-L265 HydrophobicContact CD1-CG 4.45Å; Y256-L265 HydrophobicContact CE1-CD2 4.28Å; Y256-L265 HydrophobicContact CG-CD2 4.41Å; E257-L265 HydrophobicContact CB-CD1 4.11Å; E257-L265 HydrophobicContact CG-CD1 4.15Å; C262-L265 WeakPolarHBondContact O-CB 3.46Å; C262-L265 PolarHBondContact O-N 3.09Å; L265-V269 HydrophobicContact CD2-CG1 4.1Å
266V97Very high97.1Very high22 Ų2219.5 Ų19.513%0.13311%0.112CC..  trans-80.4171.4176.8-59.90000111K84 K141 N264 D268 V269 H270K84-V266 HydrophobicContact CB-CG1 4.37Å; K141-V266 HydrophobicContact CD-CG2 4.29Å; N264-V266 PolarHBondContact O-N 2.96Å; V266-D268 PolarHBondContact O-N 2.77Å; V266-V269 HydrophobicContact CG2-CG2 4.02Å; V266-V269 WeakPolarHBondContact O-CA 3.44Å; V266-V269 WeakPolarHBondContact O-CB 3.33Å; V266-V269 PolarHBondContact O-N 2.72Å; V266-H270 PolarHBondContact O-N 2.81Å
267Y97.2Very high97.1Very high6 Ų621.8 Ų21.82%0.02412%0.124CC..Hα-helixtrans-44.4-55-178.2177.7-86.7000113.4A53 R56 H65 G70 D72 F87 V269 H270 S271A53-Y267 HydrophobicContact CB-CE1 3.97Å; R56-Y267 PolarHBondContact NH2-OH 3.25Å; H65-Y267 HydrophobicContact CB-CD1 3.89Å; H65-Y267 HydrophobicContact CB-CD2 3.71Å; H65-Y267 HydrophobicContact CB-CE1 4.08Å; H65-Y267 HydrophobicContact CB-CE2 3.86Å; H65-Y267 HydrophobicContact CB-CG 3.71Å; H65-Y267 WeakPolarHBondContact O-CB 3.48Å; G70-Y267 WeakPolarHBondContact O-CE2 3.44Å; D72-Y267 PolarHBondContact OD2-OH 3.18Å; F87-Y267 HydrophobicContact CE1-CD2 4.44Å; F87-Y267 HydrophobicContact CZ-CD2 4.18Å; Y267-V269 PolarHBondContact O-N 2.71Å; Y267-V269 VanDerWaalsContact O-N 3.11Å; Y267-H270 PolarHBondContact O-N 2.65Å; Y267-S271 VanDerWaalsContact O-CB 3.29Å; Y267-S271 WeakPolarHBondContact O-CB 3.33Å; Y267-S271 PolarHBondContact O-N 3.45Å; Y267-S271 PolarHBondContact O-OG 3.03Å
268D96.7Very high97.1Very high49 Ų4918.9 Ų18.926%0.26211%0.111SC..Hα-helixtrans-59.4-30.5-177.6-67.1-19.9000113.2V138 V266 P272V138-D268 HydrophobicContact CG2-CB 4.37Å; V138-D268 WeakPolarHBondContact CG2-O 3.4Å; V266-D268 PolarHBondContact O-N 2.77Å; D268-P272 WeakPolarHBondContact O-CD 3.25Å; D268-P272 WeakPolarHBondContact O-CG 3.44Å
269V97.7Very high97.2Very high0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-78.8-40.7178.8178.80000110.4K141 F252 L253 Y256 L265 V266 Y267 P272K141-V269 HydrophobicContact CD-CG2 3.81Å; F252-V269 HydrophobicContact CE1-CG1 4.33Å; L253-V269 HydrophobicContact CD2-CG1 4.03Å; L253-V269 WeakPolarHBondContact CD2-O 3.43Å; Y256-V269 HydrophobicContact CD1-CG1 3.78Å; Y256-V269 HydrophobicContact CD2-CG1 3.81Å; Y256-V269 HydrophobicContact CE1-CG1 3.74Å; Y256-V269 HydrophobicContact CE1-CG2 4.27Å; Y256-V269 HydrophobicContact CE2-CG1 3.76Å; Y256-V269 HydrophobicContact CE2-CG2 4.03Å; Y256-V269 HydrophobicContact CG-CG1 3.82Å; Y256-V269 WeakPolarHBondContact OH-CG2 3.43Å; L265-V269 HydrophobicContact CD2-CG1 4.1Å; V266-V269 HydrophobicContact CG2-CG2 4.02Å; V266-V269 WeakPolarHBondContact O-CA 3.44Å; V266-V269 WeakPolarHBondContact O-CB 3.33Å; V266-V269 PolarHBondContact O-N 2.72Å; Y267-V269 PolarHBondContact O-N 2.71Å; Y267-V269 VanDerWaalsContact O-N 3.11Å; V269-P272 VanDerWaalsContact O-CD 3.31Å; V269-P272 WeakPolarHBondContact O-CD 3.44Å
270H97.4Very high97.3Very high1 Ų120 Ų201%0.00510%0.102CC..Hα-helixtrans-70.5-43.4-179.3167.494.3000113C71 C74 F87 V266 Y267 P272 Q273 H274C71-H270 PolarHBondContact SG-NE2 2.9Å; C74-H270 PolarHBondContact SG-NE2 3.42Å; C74-H270 VanDerWaalsContact SG-NE2 3.41Å; F87-H270 HydrophobicContact CB-CB 3.59Å; F87-H270 VanDerWaalsContact CB-CG 3.49Å; F87-H270 WeakPolarHBondContact CB-ND1 3.2Å; F87-H270 HydrophobicContact CG-CB 4.14Å; V266-H270 PolarHBondContact O-N 2.81Å; Y267-H270 PolarHBondContact O-N 2.65Å; H270-P272 VanDerWaalsContact C-CD 3.43Å; H270-Q273 PolarHBondContact CE1-NE2 3.04Å; H270-Q273 PolarHBondContact ND1-NE2 3.43Å; H270-Q273 PolarHBondContact NE2-NE2 2.91Å; H270-Q273 VanDerWaalsContact O-CG 3.31Å; H270-Q273 WeakPolarHBondContact O-CG 3.42Å; H270-Q273 PolarHBondContact O-N 3.46Å; H270-Q273 PolarHBondContact O-NE2 3.35Å; H270-H274 AromaticContact CD2-NE2 3.73Å; H270-H274 AromaticContact NE2-NE2 3.13Å; H270-H274 PolarHBondContact NE2-NE2 3.13Å; H270-H274 VanDerWaalsContact NE2-NE2 3.13Å
271S97.3Very high97.2Very high1 Ų122 Ų221%0.00712%0.121CC..G310 helixtrans-62.7-30.4-169.6-67.10000116.5M133 Y267 Q273 H274M133-S271 WeakPolarHBondContact SD-CB 3.44Å; Y267-S271 VanDerWaalsContact O-CB 3.29Å; Y267-S271 WeakPolarHBondContact O-CB 3.33Å; Y267-S271 PolarHBondContact O-N 3.45Å; Y267-S271 PolarHBondContact O-OG 3.03Å; S271-Q273 PolarHBondContact O-N 3.34Å; S271-H274 WeakPolarHBondContact O-CB 3.42Å; S271-H274 PolarHBondContact O-CD2 3.36Å; S271-H274 PolarHBondContact O-N 3.02Å
272P97.9Very high97.3Very high0 Ų022.5 Ų22.50%012%0.118CC..G310 helixtrans-50.2-31.9174.9-32.634.4000114.9M133 V134 V138 L249 D268 V269 H270 H274 L275M133-P272 HydrophobicContact CE-CG 4.22Å; M133-P272 HydrophobicContact SD-CG 4.45Å; V134-P272 HydrophobicContact CG2-CG 4.41Å; V138-P272 HydrophobicContact CG2-CG 4.11Å; L249-P272 WeakPolarHBondContact CD1-O 3.44Å; L249-P272 HydrophobicContact CD2-CB 4.45Å; D268-P272 WeakPolarHBondContact O-CD 3.25Å; D268-P272 WeakPolarHBondContact O-CG 3.44Å; V269-P272 VanDerWaalsContact O-CD 3.31Å; V269-P272 WeakPolarHBondContact O-CD 3.44Å; H270-P272 VanDerWaalsContact C-CD 3.43Å; P272-H274 PolarHBondContact O-N 2.9Å; P272-L275 HydrophobicContact CB-CD1 4.28Å; P272-L275 WeakPolarHBondContact O-CB 3.34Å; P272-L275 PolarHBondContact O-N 2.62Å
273Q97.5Very high97.3Very high20 Ų2021.2 Ų21.29%0.09311%0.11CC..G310 helixtrans-60.2-18.4179.178.7-174.1-67.700114.2L249 L253 H270 S271 P276L249-Q273 HydrophobicContact CB-CB 4.46Å; L253-Q273 HydrophobicContact CD1-CB 4.02Å; L253-Q273 HydrophobicContact CD1-CG 4.32Å; L253-Q273 VanDerWaalsContact CD1-NE2 3.28Å; H270-Q273 PolarHBondContact CE1-NE2 3.04Å; H270-Q273 PolarHBondContact ND1-NE2 3.43Å; H270-Q273 PolarHBondContact NE2-NE2 2.91Å; H270-Q273 VanDerWaalsContact O-CG 3.31Å; H270-Q273 WeakPolarHBondContact O-CG 3.42Å; H270-Q273 PolarHBondContact O-N 3.46Å; H270-Q273 PolarHBondContact O-NE2 3.35Å; S271-Q273 PolarHBondContact O-N 3.34Å; Q273-P276 WeakPolarHBondContact O-CD 3.12Å
274H97.6Very high97.3Very high7 Ų719.3 Ų19.33%0.03210%0.103CC..G310 helixtrans-94.5-11.5179.7-52.1-57000113R73 L128 H270 S271 P272 P276 D277R73-H274 HydrophobicContact CB-CB 4.01Å; R73-H274 VanDerWaalsContact CB-CD2 3.44Å; R73-H274 WeakPolarHBondContact CB-CD2 3.4Å; R73-H274 VanDerWaalsContact CB-CG 3.45Å; R73-H274 HydrophobicContact CG-CB 3.62Å; L128-H274 HydrophobicContact CD1-CB 3.96Å; H270-H274 AromaticContact CD2-NE2 3.73Å; H270-H274 AromaticContact NE2-NE2 3.13Å; H270-H274 PolarHBondContact NE2-NE2 3.13Å; H270-H274 VanDerWaalsContact NE2-NE2 3.13Å; S271-H274 WeakPolarHBondContact O-CB 3.42Å; S271-H274 PolarHBondContact O-CD2 3.36Å; S271-H274 PolarHBondContact O-N 3.02Å; P272-H274 PolarHBondContact O-N 2.9Å; H274-P276 VanDerWaalsContact C-N 3.31Å; H274-D277 PolarHBondContact O-N 3.39Å; H274-D277 VanDerWaalsContact O-N 3.08Å
275L98.1Very high97.3Very high0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-55.5-35175.7-72.8172.4000114.6L128 M133 V134 M229 L232 P272 D277 D278 V279 L285 Y288L128-L275 HydrophobicContact CB-CD2 4.36Å; M133-L275 HydrophobicContact CE-CD1 3.59Å; M133-L275 HydrophobicContact CE-CD2 3.6Å; M133-L275 HydrophobicContact CE-CG 3.6Å; V134-L275 HydrophobicContact CG2-CD1 3.79Å; M229-L275 HydrophobicContact CE-CD1 3.72Å; M229-L275 HydrophobicContact SD-CD1 3.68Å; L232-L275 HydrophobicContact CD1-CB 3.98Å; P272-L275 HydrophobicContact CB-CD1 4.28Å; P272-L275 WeakPolarHBondContact O-CB 3.34Å; P272-L275 PolarHBondContact O-N 2.62Å; L275-D277 PolarHBondContact O-N 3.2Å; L275-D277 VanDerWaalsContact O-N 3.16Å; L275-D278 PolarHBondContact O-N 2.91Å; L275-V279 WeakPolarHBondContact O-CB 3.41Å; L275-V279 VanDerWaalsContact O-CG2 3.29Å; L275-V279 WeakPolarHBondContact O-CG2 3.48Å; L275-V279 PolarHBondContact O-N 3.36Å; L275-L285 HydrophobicContact CD1-CD2 4.23Å; L275-L285 HydrophobicContact CD2-CD2 4.05Å; L275-Y288 HydrophobicContact CD2-CE2 4.47Å
276P97.8Very high97.2Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-51.8-34.6173.8-31.138.7000113.9I242 R246 L249 Q273 H274 R280I242-P276 HydrophobicContact CG2-CB 3.57Å; I242-P276 VanDerWaalsContact CG2-O 3.27Å; I242-P276 WeakPolarHBondContact CG2-O 3.25Å; R246-P276 HydrophobicContact CB-CB 4.13Å; R246-P276 HydrophobicContact CB-CG 3.83Å; R246-P276 HydrophobicContact CG-CG 4.23Å; L249-P276 HydrophobicContact CD1-CG 4.21Å; Q273-P276 WeakPolarHBondContact O-CD 3.12Å; H274-P276 VanDerWaalsContact C-N 3.31Å; P276-R280 PolarHBondContact O-N 3.27Å; P276-R280 VanDerWaalsContact O-N 3.15Å
277D97.4Very high97.1Very high49 Ų4923.8 Ų23.826%0.26213%0.133SC..Hα-helixtrans-77.8-40.2179.8-61.3-37.9000111.8R246 H274 L275 V279 R280 A281R246-D277 IonicContact CZ-OD1 2.67Å; R246-D277 IonicContact NH2-OD1 2.67Å; R246-D277 PolarHBondContact NH2-OD1 2.93Å; H274-D277 PolarHBondContact O-N 3.39Å; H274-D277 VanDerWaalsContact O-N 3.08Å; L275-D277 PolarHBondContact O-N 3.2Å; L275-D277 VanDerWaalsContact O-N 3.16Å; D277-V279 VanDerWaalsContact C-N 3.33Å; D277-V279 PolarHBondContact O-N 2.95Å; D277-R280 WeakPolarHBondContact O-CB 3.3Å; D277-R280 PolarHBondContact O-N 2.53Å; D277-R280 IonicContact OD1-NH1 3.43Å; D277-R280 PolarHBondContact OD1-NH1 2.73Å; D277-A281 PolarHBondContact O-N 2.78Å; D277-A281 VanDerWaalsContact O-N 3.13Å
278D97.8Very high97.1Very high2 Ų223.6 Ų23.61%0.01113%0.132CC..Hα-helixtrans-63.9-40.3173.9-70.2-19.6000111.6R73 P127 L128 L275 R280 A281 H282 Y288R73-D278 IonicContact CZ-OD1 3.89Å; R73-D278 IonicContact CZ-OD2 3.69Å; R73-D278 IonicContact NE-OD1 3.8Å; R73-D278 IonicContact NE-OD2 3.62Å; R73-D278 IonicContact NH1-OD1 3.67Å; R73-D278 IonicContact NH2-OD1 2.86Å; R73-D278 PolarHBondContact NH2-OD1 3.18Å; R73-D278 IonicContact NH2-OD2 2.88Å; R73-D278 PolarHBondContact NH2-OD2 2.8Å; P127-D278 HydrophobicContact CB-CB 4.31Å; L128-D278 WeakPolarHBondContact CB-OD2 3.2Å; L128-D278 WeakPolarHBondContact CG-OD2 3.37Å; L128-D278 PolarHBondContact N-OD2 3.43Å; L275-D278 PolarHBondContact O-N 2.91Å; D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 2.88Å; D278-A281 PolarHBondContact O-N 2.96Å; D278-A281 VanDerWaalsContact O-N 3.13Å; D278-H282 WeakPolarHBondContact O-CB 3.2Å; D278-H282 PolarHBondContact O-CD2 3.26Å; D278-H282 PolarHBondContact O-N 3.21Å; D278-Y288 HydrophobicContact CB-CE2 4.11Å; D278-Y288 WeakPolarHBondContact CB-OH 3.42Å
279V98Very high97.1Very high0 Ų021.8 Ų21.80%012%0.123CC..Hα-helixtrans-65.3-34.81771670000111.8L232 Y238 I242 L275 D277 A281 G283 L285 Y288L232-V279 HydrophobicContact CB-CG2 4.08Å; L232-V279 HydrophobicContact CD1-CG2 4.33Å; L232-V279 HydrophobicContact CD2-CB 4.24Å; L232-V279 HydrophobicContact CD2-CG1 3.97Å; L232-V279 HydrophobicContact CD2-CG2 4.09Å; L232-V279 HydrophobicContact CG-CG2 4.37Å; Y238-V279 HydrophobicContact CD2-CG1 3.38Å; Y238-V279 HydrophobicContact CE2-CG1 4.29Å; Y238-V279 HydrophobicContact CG-CG1 4.06Å; I242-V279 HydrophobicContact CD1-CG1 4.41Å; L275-V279 WeakPolarHBondContact O-CB 3.41Å; L275-V279 VanDerWaalsContact O-CG2 3.29Å; L275-V279 WeakPolarHBondContact O-CG2 3.48Å; L275-V279 PolarHBondContact O-N 3.36Å; D277-V279 VanDerWaalsContact C-N 3.33Å; D277-V279 PolarHBondContact O-N 2.95Å; V279-A281 VanDerWaalsContact C-N 3.32Å; V279-G283 VanDerWaalsContact CA-O 3.23Å; V279-G283 WeakPolarHBondContact CA-O 3.33Å; V279-G283 CarbonylContact O-C 3.57Å; V279-G283 WeakPolarHBondContact O-CA 3.17Å; V279-G283 PolarHBondContact O-N 2.73Å; V279-G283 VanDerWaalsContact O-N 3.11Å; V279-L285 HydrophobicContact CG2-CD2 3.75Å; V279-L285 HydrophobicContact CG2-CG 4.39Å; V279-Y288 HydrophobicContact CG2-CE1 4.25Å; V279-Y288 VanDerWaalsContact CG2-OH 3.28Å; V279-Y288 WeakPolarHBondContact CG2-OH 3.38Å
280R97.1Very high97Very high121 Ų12122.3 Ų22.346%0.45713%0.126SC..Hα-helixtrans-64.2-39173.1-175.3178.6-73106.5-2.6111.6I242 E243 R246 P276 D277 D278I242-R280 HydrophobicContact CD1-CB 3.74Å; I242-R280 HydrophobicContact CD1-CG 4.27Å; I242-R280 VanDerWaalsContact CG2-NH2 3.28Å; E243-R280 IonicContact OE1-CZ 2.63Å; E243-R280 IonicContact OE1-NH2 2.73Å; E243-R280 PolarHBondContact OE1-NH2 3.03Å; R246-R280 VanDerWaalsContact NH2-NH1 3.11Å; P276-R280 PolarHBondContact O-N 3.27Å; P276-R280 VanDerWaalsContact O-N 3.15Å; D277-R280 WeakPolarHBondContact O-CB 3.3Å; D277-R280 PolarHBondContact O-N 2.53Å; D277-R280 IonicContact OD1-NH1 3.43Å; D277-R280 PolarHBondContact OD1-NH1 2.73Å; D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 2.88Å
281A96.4Very high96.9Very high56 Ų5624.8 Ų24.846%0.46314%0.137SC..Hα-helixtrans-82.6-38-175.200000113.5D277 D278 V279D277-A281 PolarHBondContact O-N 2.78Å; D277-A281 VanDerWaalsContact O-N 3.13Å; D278-A281 PolarHBondContact O-N 2.96Å; D278-A281 VanDerWaalsContact O-N 3.13Å; V279-A281 VanDerWaalsContact C-N 3.32Å
282H97.1Very high96.7Very high29 Ų2929 Ų2913%0.13416%0.163CC..Hα-helixtrans-117.8-2.8-166.6-59.3-67.5000114.6T47 S124 D278 S287 Y288T47-H282 PolarHBondContact O-CE1 3.13Å; T47-H282 VanDerWaalsContact O-CE1 3.26Å; S124-H282 PolarHBondContact O-CE1 2.87Å; S124-H282 PolarHBondContact O-NE2 2.82Å; D278-H282 WeakPolarHBondContact O-CB 3.2Å; D278-H282 PolarHBondContact O-CD2 3.26Å; D278-H282 PolarHBondContact O-N 3.21Å; H282-S287 WeakPolarHBondContact O-CB 3.34Å; H282-Y288 HydrophobicContact CB-CD1 3.55Å; H282-Y288 HydrophobicContact CB-CE1 4.15Å; H282-Y288 HydrophobicContact CB-CG 4.1Å
283G96.7Very high96.3Very high8 Ų834.7 Ų34.78%0.08219%0.189CC..  trans90.1-161.8-176.100000113V279V279-G283 VanDerWaalsContact CA-O 3.23Å; V279-G283 WeakPolarHBondContact CA-O 3.33Å; V279-G283 CarbonylContact O-C 3.57Å; V279-G283 WeakPolarHBondContact O-CA 3.17Å; V279-G283 PolarHBondContact O-N 2.73Å; V279-G283 VanDerWaalsContact O-N 3.11Å
284P96.8Very high96Very high22 Ų2237.7 Ų37.714%0.14320%0.203CC..SBendtrans-63.9159.7-175.627.9-34.6000112.3L232 Y238 D286 S287L232-P284 VanDerWaalsContact O-CA 3.27Å; L232-P284 WeakPolarHBondContact O-CA 3.28Å; Y238-P284 HydrophobicContact CD1-CB 4.05Å; Y238-P284 HydrophobicContact CD1-CG 4.31Å; Y238-P284 HydrophobicContact CE1-CG 4.4Å; Y238-P284 HydrophobicContact CG-CB 4.2Å; P284-D286 PolarHBondContact O-N 3.18Å; P284-S287 WeakPolarHBondContact CD-OG 3.44Å; P284-S287 WeakPolarHBondContact CG-OG 3.31Å; P284-S287 VanDerWaalsContact O-CB 3.24Å; P284-S287 WeakPolarHBondContact O-CB 3.47Å; P284-S287 PolarHBondContact O-N 2.91Å; P284-S287 PolarHBondContact O-OG 2.66Å
285L97.5Very high95.7Very high0 Ų040.8 Ų40.80%023%0.225CC..G310 helixtrans-49.4-35.8-173.9-66.8179.6000114.8P130 M229 L232 A233 L275 V279 S287 Y288 S289P130-L285 HydrophobicContact CB-CB 4.46Å; P130-L285 HydrophobicContact CB-CD2 4.22Å; P130-L285 HydrophobicContact CG-CB 4.15Å; P130-L285 HydrophobicContact CG-CD2 4.4Å; P130-L285 WeakPolarHBondContact CG-O 3.45Å; M229-L285 HydrophobicContact CB-CD1 4.28Å; M229-L285 WeakPolarHBondContact O-CD1 3.11Å; M229-L285 HydrophobicContact SD-CD1 3.88Å; L232-L285 HydrophobicContact CB-CD1 3.84Å; L232-L285 HydrophobicContact CB-CD2 4.11Å; L232-L285 HydrophobicContact CB-CG 3.73Å; L232-L285 PolarHBondContact O-N 3.4Å; L232-L285 VanDerWaalsContact O-N 3.12Å; A233-L285 HydrophobicContact CB-CB 4.12Å; A233-L285 HydrophobicContact CB-CD1 4.14Å; A233-L285 HydrophobicContact CB-CG 4.37Å; L275-L285 HydrophobicContact CD1-CD2 4.23Å; L275-L285 HydrophobicContact CD2-CD2 4.05Å; V279-L285 HydrophobicContact CG2-CD2 3.75Å; V279-L285 HydrophobicContact CG2-CG 4.39Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 2.91Å; L285-Y288 VanDerWaalsContact CD2-OH 3.32Å; L285-Y288 WeakPolarHBondContact CD2-OH 3.15Å; L285-S289 PolarHBondContact O-N 2.77Å
286D94.1Very high95.3Very high53 Ų5344.1 Ų44.128%0.28324%0.238SC..G310 helixtrans-71.6-23.1-178-68.9-17.8000112.5R199 P284 Y288 S289R199-D286 IonicContact CZ-OD1 3.53Å; R199-D286 IonicContact CZ-OD2 3.03Å; R199-D286 IonicContact NE-OD1 3.42Å; R199-D286 PolarHBondContact NE-OD1 2.73Å; R199-D286 VanDerWaalsContact NH2-CG 3.34Å; R199-D286 IonicContact NH2-OD1 2.65Å; R199-D286 PolarHBondContact NH2-OD1 3.41Å; R199-D286 IonicContact NH2-OD2 3.37Å; R199-D286 PolarHBondContact NH2-OD2 2.96Å; P284-D286 PolarHBondContact O-N 3.18Å; D286-Y288 PolarHBondContact O-N 3.18Å; D286-S289 PolarHBondContact O-N 3.26Å; D286-S289 PolarHBondContact O-OG 3.1Å
287S95.4Very high94.8Very high76 Ų7646.2 Ų46.253%0.53125%0.248SC..G310 helixtrans-66.6-20.3-178.6-64.50000114.2H282 P284 L285H282-S287 WeakPolarHBondContact O-CB 3.34Å; P284-S287 WeakPolarHBondContact CD-OG 3.44Å; P284-S287 WeakPolarHBondContact CG-OG 3.31Å; P284-S287 VanDerWaalsContact O-CB 3.24Å; P284-S287 WeakPolarHBondContact O-CB 3.47Å; P284-S287 PolarHBondContact O-N 2.91Å; P284-S287 PolarHBondContact O-OG 2.66Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 2.91Å
288Y96.6Very high94.3Very high2 Ų251 Ų511%0.00826%0.263CS..G310 helixtrans-132.923.2179.261.6-89.7000112.8I50 P127 L128 P130 L275 D278 V279 H282 L285 D286I50-Y288 WeakPolarHBondContact CG2-O 3.35Å; P127-Y288 HydrophobicContact CB-CD2 3.56Å; P127-Y288 HydrophobicContact CB-CE2 3.97Å; P127-Y288 HydrophobicContact CB-CG 4.1Å; P127-Y288 HydrophobicContact CG-CD2 4.06Å; P127-Y288 HydrophobicContact CG-CG 4.32Å; L128-Y288 WeakPolarHBondContact O-CE2 3.35Å; P130-Y288 HydrophobicContact CG-CE2 4.36Å; L275-Y288 HydrophobicContact CD2-CE2 4.47Å; D278-Y288 HydrophobicContact CB-CE2 4.11Å; D278-Y288 WeakPolarHBondContact CB-OH 3.42Å; V279-Y288 HydrophobicContact CG2-CE1 4.25Å; V279-Y288 VanDerWaalsContact CG2-OH 3.28Å; V279-Y288 WeakPolarHBondContact CG2-OH 3.38Å; H282-Y288 HydrophobicContact CB-CD1 3.55Å; H282-Y288 HydrophobicContact CB-CE1 4.15Å; H282-Y288 HydrophobicContact CB-CG 4.1Å; L285-Y288 VanDerWaalsContact CD2-OH 3.32Å; L285-Y288 WeakPolarHBondContact CD2-OH 3.15Å; D286-Y288 PolarHBondContact O-N 3.18Å
289S96.7Very high93.9Very high11 Ų1155.4 Ų55.48%0.07728%0.283CS..  trans-82.1152.4175.872.60000112.5D129 L285 D286 F291 P292D129-S289 WeakPolarHBondContact OD1-CA 3.24Å; L285-S289 PolarHBondContact O-N 2.77Å; D286-S289 PolarHBondContact O-N 3.26Å; D286-S289 PolarHBondContact O-OG 3.1Å; S289-F291 VanDerWaalsContact C-N 3.28Å; S289-F291 PolarHBondContact O-N 3.17Å; S289-P292 VanDerWaalsContact O-CD 3.24Å; S289-P292 WeakPolarHBondContact O-CD 3.34Å
290E95.8Very high93.4Very high11 Ų1156.3 Ų56.35%0.05129%0.288CS..SBendtrans-80.41.1178.1-76.5-166.7159.100115.4I50 C51 D52 D129 M131 H132 F293 E294I50-E290 HydrophobicContact CG2-CG 3.51Å; C51-E290 WeakPolarHBondContact CA-OE1 3.48Å; C51-E290 PolarHBondContact N-OE1 3.25Å; D52-E290 PolarHBondContact N-OE1 2.57Å; D129-E290 HydrophobicContact CB-CG 4.06Å; D129-E290 PolarHBondContact OD1-N 3.42Å; M131-E290 HydrophobicContact CE-CB 3.58Å; M131-E290 HydrophobicContact SD-CB 4.38Å; H132-E290 IonicContact CE1-OE2 2.84Å; H132-E290 PolarHBondContact CE1-OE2 3.08Å; H132-E290 IonicContact ND1-OE2 2.78Å; H132-E290 PolarHBondContact ND1-OE2 3.16Å; E290-F293 PolarHBondContact O-N 3.02Å; E290-E294 PolarHBondContact O-N 2.8Å
291F94.6Very high92.9Very high53 Ų5356.9 Ų56.923%0.23229%0.294CS..Hα-helixtrans-52.6-45.9178.9-79.1-72.3000113.7M131 Y135 A195 R199 S289 F293 S295M131-F291 HydrophobicContact CB-CD2 4.17Å; M131-F291 HydrophobicContact CB-CE2 4Å; M131-F291 HydrophobicContact CB-CZ 4.41Å; M131-F291 HydrophobicContact CG-CD1 4.18Å; M131-F291 HydrophobicContact CG-CD2 4.06Å; M131-F291 HydrophobicContact CG-CE1 3.9Å; M131-F291 HydrophobicContact CG-CE2 3.77Å; M131-F291 HydrophobicContact CG-CG 4.25Å; M131-F291 HydrophobicContact CG-CZ 3.69Å; M131-F291 HydrophobicContact SD-CB 4.35Å; M131-F291 HydrophobicContact SD-CD1 3.53Å; M131-F291 VanDerWaalsContact SD-CD1 3.53Å; M131-F291 HydrophobicContact SD-CD2 4.11Å; M131-F291 HydrophobicContact SD-CE1 3.76Å; M131-F291 HydrophobicContact SD-CE2 4.31Å; M131-F291 HydrophobicContact SD-CG 3.72Å; M131-F291 HydrophobicContact SD-CZ 4.16Å; Y135-F291 AromaticContact CD2-CE2 3.65Å; Y135-F291 HydrophobicContact CD2-CE2 3.65Å; Y135-F291 AromaticContact CD2-CZ 3.86Å; Y135-F291 HydrophobicContact CD2-CZ 3.86Å; Y135-F291 AromaticContact CE2-CE2 3.72Å; Y135-F291 HydrophobicContact CE2-CE2 3.72Å; Y135-F291 HydrophobicContact CE2-CZ 4.34Å; A195-F291 HydrophobicContact CB-CE1 3.66Å; A195-F291 HydrophobicContact CB-CZ 3.83Å; R199-F291 HydrophobicContact CB-CZ 4.38Å; S289-F291 VanDerWaalsContact C-N 3.28Å; S289-F291 PolarHBondContact O-N 3.17Å; F291-F293 VanDerWaalsContact C-N 3.34Å; F291-S295 WeakPolarHBondContact O-CB 3.21Å; F291-S295 PolarHBondContact O-N 3.38Å
292P92.6Very high92.4Very high88 Ų8861 Ų6157%0.57130%0.301SS*.Hα-helixtrans-63.9-40.5177.1-21.335000112S289 S295 Y296S289-P292 VanDerWaalsContact O-CD 3.24Å; S289-P292 WeakPolarHBondContact O-CD 3.34Å; P292-S295 PolarHBondContact O-N 3.29Å; P292-Y296 WeakPolarHBondContact O-CB 3.46Å; P292-Y296 PolarHBondContact O-N 2.84Å
293F91.4Very high91.9Very high120 Ų12060.5 Ų60.553%0.52630%0.301SS..Hα-helixtrans-65.1-48179.8-178.2-98.2000111.8E290 F291 S295 Y296 M297E290-F293 PolarHBondContact O-N 3.02Å; F291-F293 VanDerWaalsContact C-N 3.34Å; F293-S295 VanDerWaalsContact C-N 3.32Å; F293-S295 PolarHBondContact O-N 2.82Å; F293-Y296 CarbonylContact O-C 3.5Å; F293-Y296 PolarHBondContact O-N 3.44Å; F293-M297 HydrophobicContact CD1-CG 4.35Å; F293-M297 HydrophobicContact CE1-CG 3.74Å; F293-M297 HydrophobicContact CE2-CG 4.5Å; F293-M297 HydrophobicContact CZ-CG 3.83Å; F293-M297 WeakPolarHBondContact O-CB 3.03Å; F293-M297 PolarHBondContact O-N 2.9Å
294E90.8Very high91.3Very high84 Ų8461.8 Ų61.839%0.39331%0.307SS..Hα-helixtrans-61.1-40.6176.1-92.5-67.9168.200112.2M131 E290 Y296 M297 R298M131-E294 HydrophobicContact CE-CB 4.39Å; M131-E294 HydrophobicContact CE-CG 3.65Å; E290-E294 PolarHBondContact O-N 2.8Å; E294-Y296 VanDerWaalsContact C-N 3.35Å; E294-Y296 PolarHBondContact O-N 2.79Å; E294-M297 PolarHBondContact O-N 2.91Å; E294-R298 PolarHBondContact O-N 3.48Å
295S90.3Very high90.7Very high71 Ų7167.6 Ų67.650%0.49733%0.332SS..Hα-helixtrans-60.1-46.1174.4-172.90000111.3F291 P292 F293 R298 Q299F291-S295 WeakPolarHBondContact O-CB 3.21Å; F291-S295 PolarHBondContact O-N 3.38Å; P292-S295 PolarHBondContact O-N 3.29Å; F293-S295 VanDerWaalsContact C-N 3.32Å; F293-S295 PolarHBondContact O-N 2.82Å; S295-R298 WeakPolarHBondContact O-CB 3.33Å; S295-R298 PolarHBondContact O-N 3.34Å; S295-Q299 PolarHBondContact O-N 3.16Å
296Y90.2Very high90Very high71 Ų7169.4 Ų69.428%0.27835%0.35SS..Hα-helixtrans-67.4-39.8177.7-173.1-115.6000112.4P292 F293 E294 R298 Q299 I300 Y318P292-Y296 WeakPolarHBondContact O-CB 3.46Å; P292-Y296 PolarHBondContact O-N 2.84Å; F293-Y296 CarbonylContact O-C 3.5Å; F293-Y296 PolarHBondContact O-N 3.44Å; E294-Y296 VanDerWaalsContact C-N 3.35Å; E294-Y296 PolarHBondContact O-N 2.79Å; Y296-R298 PolarHBondContact O-N 3.1Å; Y296-Q299 WeakPolarHBondContact O-CA 3.43Å; Y296-Q299 VanDerWaalsContact O-CB 3.27Å; Y296-Q299 WeakPolarHBondContact O-CB 3.35Å; Y296-Q299 PolarHBondContact O-N 2.85Å; Y296-I300 HydrophobicContact CD1-CD1 3.77Å; Y296-I300 HydrophobicContact CD1-CG1 4.37Å; Y296-I300 HydrophobicContact CE1-CD1 3.53Å; Y296-I300 HydrophobicContact CE1-CG1 4.08Å; Y296-I300 PolarHBondContact O-N 3.31Å; Y296-Y318 WeakPolarHBondContact OH-CD2 3.46Å; Y296-Y318 WeakPolarHBondContact OH-CE2 3.46Å
297M88Confident89.3Confident44 Ų4469.9 Ų69.922%0.21737%0.368CS..Hα-helixtrans-60.8-35.2175.5-101.1-49-56.100112.3F293 E294 Q299 I300 K301F293-M297 HydrophobicContact CD1-CG 4.35Å; F293-M297 HydrophobicContact CE1-CG 3.74Å; F293-M297 HydrophobicContact CE2-CG 4.5Å; F293-M297 HydrophobicContact CZ-CG 3.83Å; F293-M297 WeakPolarHBondContact O-CB 3.03Å; F293-M297 PolarHBondContact O-N 2.9Å; E294-M297 PolarHBondContact O-N 2.91Å; M297-Q299 VanDerWaalsContact C-N 3.26Å; M297-Q299 PolarHBondContact O-N 3.42Å; M297-I300 HydrophobicContact CE-CB 4.43Å; M297-I300 HydrophobicContact CE-CG2 4.45Å; M297-I300 PolarHBondContact O-N 2.91Å; M297-I300 HydrophobicContact SD-CB 4.2Å; M297-I300 HydrophobicContact SD-CD1 3.74Å; M297-I300 HydrophobicContact SD-CG2 4.41Å; M297-K301 HydrophobicContact CE-CD 4.17Å; M297-K301 HydrophobicContact CE-CG 3.85Å; M297-K301 WeakPolarHBondContact O-CB 3.33Å; M297-K301 WeakPolarHBondContact O-CG 3.31Å; M297-K301 PolarHBondContact O-N 2.92Å
298R87.2Confident88.7Confident149 Ų14975.4 Ų75.456%0.56238%0.378SS*.Hα-helixtrans-62.4-35.1171.9-173.1-178.6179-159.5-1.2112.1E294 S295 Y296 K302E294-R298 PolarHBondContact O-N 3.48Å; S295-R298 WeakPolarHBondContact O-CB 3.33Å; S295-R298 PolarHBondContact O-N 3.34Å; Y296-R298 PolarHBondContact O-N 3.1Å; R298-K302 WeakPolarHBondContact O-CG 3.46Å; R298-K302 PolarHBondContact O-N 2.6Å
299Q88.2Confident88.1Confident94 Ų9477.6 Ų77.644%0.43939%0.394SS..Hα-helixtrans-68-47175.5-57.7179.745.800110.6S295 Y296 M297 K301 K302 S303S295-Q299 PolarHBondContact O-N 3.16Å; Y296-Q299 WeakPolarHBondContact O-CA 3.43Å; Y296-Q299 VanDerWaalsContact O-CB 3.27Å; Y296-Q299 WeakPolarHBondContact O-CB 3.35Å; Y296-Q299 PolarHBondContact O-N 2.85Å; M297-Q299 VanDerWaalsContact C-N 3.26Å; M297-Q299 PolarHBondContact O-N 3.42Å; Q299-K301 VanDerWaalsContact C-N 3.3Å; Q299-K301 PolarHBondContact O-N 3.31Å; Q299-K302 WeakPolarHBondContact O-CB 3.42Å; Q299-K302 PolarHBondContact O-N 2.92Å; Q299-K302 VanDerWaalsContact O-N 3.09Å; Q299-S303 PolarHBondContact O-N 2.78Å; Q299-S303 PolarHBondContact O-OG 2.96Å
300I87.3Confident87.6Confident20 Ų2079 Ų7910%0.10340%0.402CS..Hα-helixtrans-55.3-47174.5-65.9168.8000110.7M1 I4 Y296 M297 K302 S303 A314M1-I300 HydrophobicContact SD-CD1 4.28Å; I4-I300 HydrophobicContact CD1-CG2 3.98Å; Y296-I300 HydrophobicContact CD1-CD1 3.77Å; Y296-I300 HydrophobicContact CD1-CG1 4.37Å; Y296-I300 HydrophobicContact CE1-CD1 3.53Å; Y296-I300 HydrophobicContact CE1-CG1 4.08Å; Y296-I300 PolarHBondContact O-N 3.31Å; M297-I300 HydrophobicContact CE-CB 4.43Å; M297-I300 HydrophobicContact CE-CG2 4.45Å; M297-I300 PolarHBondContact O-N 2.91Å; M297-I300 HydrophobicContact SD-CB 4.2Å; M297-I300 HydrophobicContact SD-CD1 3.74Å; M297-I300 HydrophobicContact SD-CG2 4.41Å; I300-K302 VanDerWaalsContact C-N 3.28Å; I300-K302 PolarHBondContact O-N 3.15Å; I300-S303 WeakPolarHBondContact O-CB 3.5Å; I300-S303 PolarHBondContact O-N 3.41Å; I300-A314 HydrophobicContact CG2-CB 3.95Å
301K86.5Confident87.1Confident132 Ų13279.7 Ų79.757%0.57441%0.41SS*.Hα-helixtrans-59.9-35.4178.9-76.7172.3-179.71710112.9M297 Q299 S303 V304M297-K301 HydrophobicContact CE-CD 4.17Å; M297-K301 HydrophobicContact CE-CG 3.85Å; M297-K301 WeakPolarHBondContact O-CB 3.33Å; M297-K301 WeakPolarHBondContact O-CG 3.31Å; M297-K301 PolarHBondContact O-N 2.92Å; Q299-K301 VanDerWaalsContact C-N 3.3Å; Q299-K301 PolarHBondContact O-N 3.31Å; K301-S303 VanDerWaalsContact C-N 3.28Å; K301-S303 PolarHBondContact O-N 2.81Å; K301-V304 PolarHBondContact O-N 3.25Å
302K87.2Confident86.8Confident143 Ų14383.4 Ų83.462%0.62243%0.426SS*.Hα-helixtrans-70.3-25175.7-74.1176.6176.5-174.60113R298 Q299 I300 V304R298-K302 WeakPolarHBondContact O-CG 3.46Å; R298-K302 PolarHBondContact O-N 2.6Å; Q299-K302 WeakPolarHBondContact O-CB 3.42Å; Q299-K302 PolarHBondContact O-N 2.92Å; Q299-K302 VanDerWaalsContact O-N 3.09Å; I300-K302 VanDerWaalsContact C-N 3.28Å; I300-K302 PolarHBondContact O-N 3.15Å; K302-V304 PolarHBondContact O-N 3.05Å
303S84.8Confident86.7Confident19 Ų1981.4 Ų81.413%0.13341%0.409CS..Hα-helixtrans-73.9-16.5177.5-64.80000113Q299 I300 K301 H305 R317Q299-S303 PolarHBondContact O-N 2.78Å; Q299-S303 PolarHBondContact O-OG 2.96Å; I300-S303 WeakPolarHBondContact O-CB 3.5Å; I300-S303 PolarHBondContact O-N 3.41Å; K301-S303 VanDerWaalsContact C-N 3.28Å; K301-S303 PolarHBondContact O-N 2.81Å; S303-H305 PolarHBondContact O-ND1 3.29Å; S303-H305 VanDerWaalsContact O-ND1 3.14Å; S303-R317 WeakPolarHBondContact OG-CG 3.25Å
304V86Confident86.6Confident34 Ų3475.9 Ų75.921%0.20639%0.386CS..  trans-95.9121.3-179.3179.80000109.6K301 K302 G306 V310 A314K301-V304 PolarHBondContact O-N 3.25Å; K302-V304 PolarHBondContact O-N 3.05Å; V304-G306 VanDerWaalsContact CG1-O 3.27Å; V304-G306 WeakPolarHBondContact CG1-O 3.18Å; V304-V310 HydrophobicContact CG1-CB 4.37Å; V304-V310 HydrophobicContact CG1-CG1 4.01Å; V304-V310 HydrophobicContact CG1-CG2 4.12Å; V304-V310 HydrophobicContact CG2-CG1 3.98Å; V304-A314 HydrophobicContact CG2-CB 4.17Å
305H83.4Confident86.5Confident145 Ų14573.8 Ų73.867%0.67138%0.383SS*.  trans-99.8-10.8-173.7-6769.2000113.5S303S303-H305 PolarHBondContact O-ND1 3.29Å; S303-H305 VanDerWaalsContact O-ND1 3.14Å
306G81.9Confident86.5Confident37 Ų3775.3 Ų75.338%0.38138%0.382SS..SBendtrans-166.8169.417800000112.3V304 Y308 Q313V304-G306 VanDerWaalsContact CG1-O 3.27Å; V304-G306 WeakPolarHBondContact CG1-O 3.18Å; G306-Y308 VanDerWaalsContact C-N 3.27Å; G306-Y308 PolarHBondContact O-N 3.21Å; G306-Q313 PolarHBondContact O-NE2 3.39Å
307G80.8Confident86.4Confident63 Ų6376.4 Ų76.465%0.64939%0.386SS*.SBendtrans-74.7-5.8-174.700000116
308Y81.6Confident86.4Confident192 Ų19277.3 Ų77.375%0.75339%0.387SS*.THydrogen-bonded Turntrans-85.5126-179.4-179.9-101.2000111.7G306 V310 Q313G306-Y308 VanDerWaalsContact C-N 3.27Å; G306-Y308 PolarHBondContact O-N 3.21Å; Y308-V310 VanDerWaalsContact C-N 3.34Å; Y308-V310 PolarHBondContact O-N 3Å; Y308-Q313 PolarHBondContact O-NE2 3.03Å
309S84.5Confident86.4Confident49 Ų4973 Ų7334%0.34338%0.383SS..THydrogen-bonded Turntrans53.546.5175.8-57.90000113.8A311 K312 Q313S309-A311 VanDerWaalsContact C-N 3.32Å; S309-A311 PolarHBondContact O-N 2.76Å; S309-K312 WeakPolarHBondContact O-CB 3.47Å; S309-K312 PolarHBondContact O-N 3.15Å; S309-Q313 PolarHBondContact O-N 2.88Å
310V86.7Confident86.4Confident39 Ų3973 Ų7324%0.23638%0.383CS..Hα-helixtrans-51.2-48.3-175.3173.10000112.3V304 Y308 K312 Q313 A314V304-V310 HydrophobicContact CG1-CB 4.37Å; V304-V310 HydrophobicContact CG1-CG1 4.01Å; V304-V310 HydrophobicContact CG1-CG2 4.12Å; V304-V310 HydrophobicContact CG2-CG1 3.98Å; Y308-V310 VanDerWaalsContact C-N 3.34Å; Y308-V310 PolarHBondContact O-N 3Å; V310-K312 PolarHBondContact O-N 3.49Å; V310-Q313 PolarHBondContact O-N 3.13Å; V310-A314 PolarHBondContact O-N 3.47Å
311A86Confident86.4Confident27 Ų2776.2 Ų76.222%0.22340%0.398CS..Hα-helixtrans-58.4-45.6178.600000112.2I4 S309 A314 A315I4-A311 HydrophobicContact CG2-CB 3.84Å; S309-A311 VanDerWaalsContact C-N 3.32Å; S309-A311 PolarHBondContact O-N 2.76Å; A311-A314 PolarHBondContact O-N 2.96Å; A311-A315 WeakPolarHBondContact O-CB 3.46Å; A311-A315 PolarHBondContact O-N 2.78Å
312K87.9Confident86.2Confident131 Ų13172.4 Ų72.457%0.5738%0.383SS*.Hα-helixtrans-64.4-44179.7-173177.5179.4177.40111.6S309 V310 A314 A315 Q316S309-K312 WeakPolarHBondContact O-CB 3.47Å; S309-K312 PolarHBondContact O-N 3.15Å; V310-K312 PolarHBondContact O-N 3.49Å; K312-A314 PolarHBondContact O-N 3.02Å; K312-A315 PolarHBondContact O-N 3.43Å; K312-Q316 HydrophobicContact CG-CG 4.37Å; K312-Q316 WeakPolarHBondContact O-CB 3.25Å; K312-Q316 VanDerWaalsContact O-CG 3.3Å; K312-Q316 WeakPolarHBondContact O-CG 3.04Å; K312-Q316 PolarHBondContact O-N 3.06Å
313Q89.9Confident86.1Confident45 Ų4568 Ų6821%0.2137%0.37CS..Hα-helixtrans-59.1-47.5176.8-72.8-177.260.900111.5G306 Y308 S309 V310 R317G306-Q313 PolarHBondContact O-NE2 3.39Å; Y308-Q313 PolarHBondContact O-NE2 3.03Å; S309-Q313 PolarHBondContact O-N 2.88Å; V310-Q313 PolarHBondContact O-N 3.13Å; Q313-R317 WeakPolarHBondContact O-CB 3.42Å; Q313-R317 PolarHBondContact O-N 2.93Å
314A89.7Confident86.1Confident5 Ų572.7 Ų72.74%0.04139%0.388CS..Hα-helixtrans-63.1-45.3178.400000112I4 I300 V304 V310 A311 K312 R317 Y318I4-A314 HydrophobicContact CD1-CB 3.57Å; I300-A314 HydrophobicContact CG2-CB 3.95Å; V304-A314 HydrophobicContact CG2-CB 4.17Å; V310-A314 PolarHBondContact O-N 3.47Å; A311-A314 PolarHBondContact O-N 2.96Å; K312-A314 PolarHBondContact O-N 3.02Å; A314-R317 PolarHBondContact O-N 2.71Å; A314-Y318 WeakPolarHBondContact O-CB 3.15Å; A314-Y318 PolarHBondContact O-N 3.07Å
315A88.2Confident85.7Confident40 Ų4072.3 Ų72.333%0.33139%0.386SS..Hα-helixtrans-62.6-44.8178.800000112.5M1 A311 K312 Y318 A319M1-A315 HydrophobicContact CE-CB 4.31Å; A311-A315 WeakPolarHBondContact O-CB 3.46Å; A311-A315 PolarHBondContact O-N 2.78Å; K312-A315 PolarHBondContact O-N 3.43Å; A315-Y318 PolarHBondContact O-N 2.88Å; A315-A319 PolarHBondContact O-N 3.41Å
316Q89.7Confident85.4Confident102 Ų10271.7 Ų71.748%0.47739%0.388SS..Hα-helixtrans-62.6-45.4176.9-74.2178.1-3400111.4K312 Y318 A319 E320K312-Q316 HydrophobicContact CG-CG 4.37Å; K312-Q316 WeakPolarHBondContact O-CB 3.25Å; K312-Q316 VanDerWaalsContact O-CG 3.3Å; K312-Q316 WeakPolarHBondContact O-CG 3.04Å; K312-Q316 PolarHBondContact O-N 3.06Å; Q316-Y318 VanDerWaalsContact C-N 3.31Å; Q316-Y318 PolarHBondContact O-N 3.49Å; Q316-A319 PolarHBondContact O-N 2.77Å; Q316-E320 WeakPolarHBondContact O-CG 3.25Å; Q316-E320 PolarHBondContact O-N 2.82Å
317R88.5Confident85.2Confident94 Ų9478 Ų7836%0.35540%0.4SS..Hα-helixtrans-64.1-37.9177.8-169.566.169.2-175.49.4112.2S303 Q313 A314 E320 Q321S303-R317 WeakPolarHBondContact OG-CG 3.25Å; Q313-R317 WeakPolarHBondContact O-CB 3.42Å; Q313-R317 PolarHBondContact O-N 2.93Å; A314-R317 PolarHBondContact O-N 2.71Å; R317-E320 WeakPolarHBondContact CD-OE2 3.18Å; R317-E320 IonicContact CZ-OE2 3.48Å; R317-E320 IonicContact NE-OE2 3.7Å; R317-E320 IonicContact NH1-OE2 2.69Å; R317-E320 PolarHBondContact NH1-OE2 2.84Å; R317-E320 PolarHBondContact O-N 3.31Å; R317-Q321 WeakPolarHBondContact O-CG 3.3Å; R317-Q321 PolarHBondContact O-N 2.78Å
318Y87.4Confident85Confident63 Ų6379.6 Ų79.625%0.24739%0.394CS..Hα-helixtrans-62.3-45.9174.2-179.8-95000111.3M1 Y296 A314 A315 Q316 E320 Q321 M322M1-Y318 HydrophobicContact CB-CD2 4.11Å; M1-Y318 HydrophobicContact CB-CE1 4.42Å; M1-Y318 HydrophobicContact CB-CE2 3.96Å; M1-Y318 HydrophobicContact CB-CG 4.39Å; M1-Y318 HydrophobicContact CE-CD1 4.41Å; M1-Y318 HydrophobicContact CE-CG 4.14Å; M1-Y318 VanDerWaalsContact N-CZ 3.33Å; M1-Y318 PolarHBondContact N-OH 3.05Å; Y296-Y318 WeakPolarHBondContact OH-CD2 3.46Å; Y296-Y318 WeakPolarHBondContact OH-CE2 3.46Å; A314-Y318 WeakPolarHBondContact O-CB 3.15Å; A314-Y318 PolarHBondContact O-N 3.07Å; A315-Y318 PolarHBondContact O-N 2.88Å; Q316-Y318 VanDerWaalsContact C-N 3.31Å; Q316-Y318 PolarHBondContact O-N 3.49Å; Y318-E320 VanDerWaalsContact C-N 3.34Å; Y318-E320 PolarHBondContact O-N 3.18Å; Y318-Q321 PolarHBondContact O-N 3.41Å; Y318-M322 HydrophobicContact CD1-CG 4.04Å; Y318-M322 HydrophobicContact CD2-CE 4.07Å; Y318-M322 HydrophobicContact CE1-CE 4.38Å; Y318-M322 HydrophobicContact CE1-CG 3.6Å; Y318-M322 HydrophobicContact CE1-SD 4.15Å; Y318-M322 HydrophobicContact CE2-CE 3.54Å; Y318-M322 HydrophobicContact CE2-CG 4.43Å; Y318-M322 HydrophobicContact CE2-SD 4.22Å; Y318-M322 WeakPolarHBondContact O-CG 3.38Å; Y318-M322 PolarHBondContact O-N 3.36Å
319A88Confident84.4Confident58 Ų5879.3 Ų79.348%0.47940%0.399SS..Hα-helixtrans-61.6-40.3176.800000112.4A315 Q316 Q321 M322 S323A315-A319 PolarHBondContact O-N 3.41Å; Q316-A319 PolarHBondContact O-N 2.77Å; A319-Q321 PolarHBondContact O-N 3.42Å; A319-M322 PolarHBondContact O-N 3.15Å; A319-S323 VanDerWaalsContact O-CB 3.28Å; A319-S323 WeakPolarHBondContact O-CB 3.46Å; A319-S323 PolarHBondContact O-N 2.82Å
320E88.9Confident83.2Confident96 Ų9681.1 Ų81.145%0.44941%0.408SS..Hα-helixtrans-60.1-43.9173.4-72.6170.2-166.400112.1Q316 R317 Y318 S323 F324Q316-E320 WeakPolarHBondContact O-CG 3.25Å; Q316-E320 PolarHBondContact O-N 2.82Å; R317-E320 WeakPolarHBondContact CD-OE2 3.18Å; R317-E320 IonicContact CZ-OE2 3.48Å; R317-E320 IonicContact NE-OE2 3.7Å; R317-E320 IonicContact NH1-OE2 2.69Å; R317-E320 PolarHBondContact NH1-OE2 2.84Å; R317-E320 PolarHBondContact O-N 3.31Å; Y318-E320 VanDerWaalsContact C-N 3.34Å; Y318-E320 PolarHBondContact O-N 3.18Å; E320-S323 PolarHBondContact O-N 2.98Å; E320-F324 WeakPolarHBondContact O-CB 3.45Å; E320-F324 PolarHBondContact O-N 3.3Å
321Q86.1Confident81.4Confident86 Ų8686.4 Ų86.440%0.40244%0.435SS..Hα-helixtrans-64.6-46.2177.9-75.1176-18.500112R317 Y318 A319 F324 C325R317-Q321 WeakPolarHBondContact O-CG 3.3Å; R317-Q321 PolarHBondContact O-N 2.78Å; Y318-Q321 PolarHBondContact O-N 3.41Å; A319-Q321 PolarHBondContact O-N 3.42Å; Q321-F324 PolarHBondContact O-N 3.31Å; Q321-C325 PolarHBondContact O-N 3.16Å
322M84.1Confident79.6Confident53 Ų5389.1 Ų89.126%0.26145%0.445SS..Hα-helixtrans-60.4-47.5176.1-64.4-57.4107.800110.9Y318 A319 F324 C325 D326 I332Y318-M322 HydrophobicContact CD1-CG 4.04Å; Y318-M322 HydrophobicContact CD2-CE 4.07Å; Y318-M322 HydrophobicContact CE1-CE 4.38Å; Y318-M322 HydrophobicContact CE1-CG 3.6Å; Y318-M322 HydrophobicContact CE1-SD 4.15Å; Y318-M322 HydrophobicContact CE2-CE 3.54Å; Y318-M322 HydrophobicContact CE2-CG 4.43Å; Y318-M322 HydrophobicContact CE2-SD 4.22Å; Y318-M322 WeakPolarHBondContact O-CG 3.38Å; Y318-M322 PolarHBondContact O-N 3.36Å; A319-M322 PolarHBondContact O-N 3.15Å; M322-F324 PolarHBondContact O-N 3.29Å; M322-C325 PolarHBondContact O-N 2.95Å; M322-C325 VanDerWaalsContact O-N 3.11Å; M322-D326 PolarHBondContact O-N 2.89Å; M322-I332 HydrophobicContact CE-CD1 3.11Å; M322-I332 HydrophobicContact SD-CD1 3.7Å
323S85.1Confident77.3Confident49 Ų4987.2 Ų87.234%0.34345%0.448SS..Hα-helixtrans-59.7-35.3177.7-178.10000112.5A319 E320 R327A319-S323 VanDerWaalsContact O-CB 3.28Å; A319-S323 WeakPolarHBondContact O-CB 3.46Å; A319-S323 PolarHBondContact O-N 2.82Å; E320-S323 PolarHBondContact O-N 2.98Å; S323-R327 WeakPolarHBondContact O-CG 3.42Å; S323-R327 PolarHBondContact O-N 3.38Å; S323-R327 PolarHBondContact O-NE 3.09Å; S323-R327 PolarHBondContact OG-NH1 3.18Å
324F84Confident74.9Confident118 Ų11890.5 Ų90.552%0.51847%0.471SS..Hα-helixtrans-69.6-42175.4-175.5-98.7000112.4E320 Q321 M322 R327 L328E320-F324 WeakPolarHBondContact O-CB 3.45Å; E320-F324 PolarHBondContact O-N 3.3Å; Q321-F324 PolarHBondContact O-N 3.31Å; M322-F324 PolarHBondContact O-N 3.29Å; F324-R327 PolarHBondContact O-N 3.02Å; F324-L328 HydrophobicContact CD1-CD1 3.79Å; F324-L328 HydrophobicContact CE1-CD1 3.21Å; F324-L328 HydrophobicContact CE1-CG 4.46Å; F324-L328 HydrophobicContact CE2-CD1 4.19Å; F324-L328 HydrophobicContact CG-CD1 4.49Å; F324-L328 HydrophobicContact CZ-CD1 3.45Å; F324-L328 VanDerWaalsContact CZ-CD1 3.45Å; F324-L328 PolarHBondContact O-N 3.37Å
325C78.3Confident72.2Confident26 Ų2696.2 Ų96.218%0.17650%0.501CS..Hα-helixtrans-68.4-41.1177.9-73.30000112.9Q321 M322 R327 L328 Q329 V330 I332Q321-C325 PolarHBondContact O-N 3.16Å; M322-C325 PolarHBondContact O-N 2.95Å; M322-C325 VanDerWaalsContact O-N 3.11Å; C325-R327 VanDerWaalsContact C-N 3.28Å; C325-R327 PolarHBondContact O-N 2.82Å; C325-L328 CarbonylContact O-C 3.52Å; C325-L328 PolarHBondContact O-N 2.67Å; C325-Q329 PolarHBondContact O-N 3.41Å; C325-V330 PolarHBondContact O-N 3.42Å; C325-I332 HydrophobicContact CB-CD1 3.66Å; C325-I332 HydrophobicContact CB-CG1 3.71Å; C325-I332 WeakPolarHBondContact SG-CD1 3.43Å; C325-I332 WeakPolarHBondContact SG-CG1 3.48Å
326D76.4Confident69.7Low132 Ų132100.3 Ų100.371%0.70652%0.518SS*.Hα-helixtrans-57.8-42.4174-77.7-14.7000111.3M322 L328 Q329M322-D326 PolarHBondContact O-N 2.89Å; D326-L328 PolarHBondContact O-N 2.96Å; D326-Q329 PolarHBondContact O-N 2.9Å
327R76.4Confident66.9Low169 Ų169101.6 Ų101.664%0.63853%0.528SS*.Hα-helixtrans-63.6-28.5176.4-78.4-171.2-67.2-97.6-4.4113.5S323 F324 C325S323-R327 WeakPolarHBondContact O-CG 3.42Å; S323-R327 PolarHBondContact O-N 3.38Å; S323-R327 PolarHBondContact O-NE 3.09Å; S323-R327 PolarHBondContact OG-NH1 3.18Å; F324-R327 PolarHBondContact O-N 3.02Å; C325-R327 VanDerWaalsContact C-N 3.28Å; C325-R327 PolarHBondContact O-N 2.82Å
328L77.7Confident64.2Low98 Ų98100.9 Ų100.951%0.51354%0.535SS..Hα-helixtrans-97.2-5.2-177.8-71.4173.2000113.7F324 C325 D326 V330F324-L328 HydrophobicContact CD1-CD1 3.79Å; F324-L328 HydrophobicContact CE1-CD1 3.21Å; F324-L328 HydrophobicContact CE1-CG 4.46Å; F324-L328 HydrophobicContact CE2-CD1 4.19Å; F324-L328 HydrophobicContact CG-CD1 4.49Å; F324-L328 HydrophobicContact CZ-CD1 3.45Å; F324-L328 VanDerWaalsContact CZ-CD1 3.45Å; F324-L328 PolarHBondContact O-N 3.37Å; C325-L328 CarbonylContact O-C 3.52Å; C325-L328 PolarHBondContact O-N 2.67Å; D326-L328 PolarHBondContact O-N 2.96Å; L328-V330 HydrophobicContact CB-CB 4.36Å; L328-V330 HydrophobicContact CB-CG2 3.79Å; L328-V330 PolarHBondContact O-N 2.92Å
329Q68.7Low61.7Low186 Ų186102 Ų10287%0.86955%0.548SS*.THydrogen-bonded Turntrans51.633.6-169.3-59.3-176.1-10.500112.8C325 D326C325-Q329 PolarHBondContact O-N 3.41Å; D326-Q329 PolarHBondContact O-N 2.9Å
330V58.8Low58.9Low86 Ų86106.4 Ų106.452%0.52156%0.562SS.*  trans-99.5112.7177.6177.40000108.1C325 L328 I332C325-V330 PolarHBondContact O-N 3.42Å; L328-V330 HydrophobicContact CB-CB 4.36Å; L328-V330 HydrophobicContact CB-CG2 3.79Å; L328-V330 PolarHBondContact O-N 2.92Å; V330-I332 PolarHBondContact O-N 3Å
331D49.7Very low56.2Low151 Ų151104 Ų10481%0.80756%0.563SS**  trans-62.3123.9172.4-86.9-32.5000109.9S333D331-S333 PolarHBondContact O-N 3.36Å
332I47Very low53.7Low84 Ų84109.8 Ų109.843%0.43159%0.587SS.*  trans-7962.5168.7-48.4170000107.5M322 C325 V330 T334M322-I332 HydrophobicContact CE-CD1 3.11Å; M322-I332 HydrophobicContact SD-CD1 3.7Å; C325-I332 HydrophobicContact CB-CD1 3.66Å; C325-I332 HydrophobicContact CB-CG1 3.71Å; C325-I332 WeakPolarHBondContact SG-CD1 3.43Å; C325-I332 WeakPolarHBondContact SG-CG1 3.48Å; V330-I332 PolarHBondContact O-N 3Å; I332-T334 PolarHBondContact O-N 3.07Å
333S40.4Very low51.4Low91 Ų91111.8 Ų111.864%0.63661%0.611SS**  trans-65.1120.7149.164.20000104.6D331 N335D331-S333 PolarHBondContact O-N 3.36Å; S333-N335 PolarHBondContact O-N 3.4Å
334T39.3Very low49.4Very low113 Ų113112.7 Ų112.769%0.69361%0.613SS**  trans-21.5108.3176.541.10000110.8I332 D336I332-T334 PolarHBondContact O-N 3.07Å; T334-D336 PolarHBondContact O-N 2.66Å
335N33.5Very low47.6Very low126 Ų126113 Ų11367%0.67463%0.63SS**  trans-60.781.7168.4-95.3-28.8000106.8S333 N337S333-N335 PolarHBondContact O-N 3.4Å; N335-N337 PolarHBondContact O-N 3.31Å
336D35.3Very low46.4Very low126 Ų126121.9 Ų121.967%0.67466%0.659SS**  trans-5490.7134.9-75.4-28.5000103.3T334 P338T334-D336 PolarHBondContact O-N 2.66Å; D336-P338 WeakPolarHBondContact O-CD 3.5Å
337N31Very low45.6Very low129 Ų129120.4 Ų120.469%0.6965%0.647SS**  trans-46115.5167.8-80.7-37.3000104.5N335 V339N335-N337 PolarHBondContact O-N 3.31Å; N337-V339 PolarHBondContact O-N 3.28Å; N337-V339 VanDerWaalsContact O-N 3.13Å
338P31.6Very low45.7Very low78 Ų78115.7 Ų115.751%0.50663%0.632SS.*  trans-52.5134.5164.821.6-27.2000103.7D336 I340D336-P338 WeakPolarHBondContact O-CD 3.5Å; P338-I340 HydrophobicContact CG-CD1 4.42Å; P338-I340 HydrophobicContact CG-CG1 4.12Å; P338-I340 PolarHBondContact O-N 3.47Å
339V35.2Very low46.1Very low86 Ų86114.1 Ų114.152%0.52163%0.626SS.*  trans-60.888.7171.8176.90000105.2N337 G341 Q356N337-V339 PolarHBondContact O-N 3.28Å; N337-V339 VanDerWaalsContact O-N 3.13Å; V339-G341 PolarHBondContact O-N 3.23Å; V339-Q356 PolarHBondContact O-NE2 3.49Å
340I30.3Very low47.2Very low152 Ų152106.7 Ų106.778%0.77959%0.592SS**  trans-76.766.6165.3-53.7175.8000103.7P338P338-I340 HydrophobicContact CG-CD1 4.42Å; P338-I340 HydrophobicContact CG-CG1 4.12Å; P338-I340 PolarHBondContact O-N 3.47Å
341G32.3Very low48.7Very low45 Ų45107.6 Ų107.646%0.46459%0.592SS.*  trans-60.8133.5151.800000105.6V339 A343V339-G341 PolarHBondContact O-N 3.23Å; G341-A343 PolarHBondContact O-N 2.88Å
342K32.2Very low50.7Low208 Ų208100.7 Ų100.790%0.90456%0.555SS**  trans-47.8108167.1-76.9-179.6173.6-178.70107D344K342-D344 PolarHBondContact O-N 2.98Å
343A36.2Very low52.5Low94 Ų9499.8 Ų99.878%0.77755%0.546SS*.  trans-62106174.700000106.1G341 S345G341-A343 PolarHBondContact O-N 2.88Å; A343-S345 PolarHBondContact O-N 3.2Å
344D42.5Very low54.6Low69 Ų69102.8 Ų102.837%0.36956%0.555SS.*  trans-62.5117.8166.9-169.4-8.3000105.3K342 R346 K347K342-D344 PolarHBondContact O-N 2.98Å; D344-R346 PolarHBondContact O-N 2.98Å; D344-K347 HydrophobicContact CB-CB 4.27Å; D344-K347 HydrophobicContact CB-CD 3.82Å; D344-K347 HydrophobicContact CB-CG 4.03Å; D344-K347 PolarHBondContact O-N 3.23Å
345S47.6Very low57.2Low125 Ų12597.7 Ų97.787%0.87452%0.523SS*.THydrogen-bonded Turntrans-60.5-7.2-172.649.90000114.1A343A343-S345 PolarHBondContact O-N 3.2Å
346R51.6Low60Low212 Ų21293.9 Ų93.980%0.850%0.502SS*.THydrogen-bonded Turntrans-95.2-10.6173.6-71.7-177.6-79.2-173.3-7.9114.6D344D344-R346 PolarHBondContact O-N 2.98Å
347K60.3Low62.8Low100 Ų10087.9 Ų87.944%0.43547%0.47SS..SBendtrans-98.6103.5-176.5-74.2-179.4175.4-173.80108.2D344 V349 F360D344-K347 HydrophobicContact CB-CB 4.27Å; D344-K347 HydrophobicContact CB-CD 3.82Å; D344-K347 HydrophobicContact CB-CG 4.03Å; D344-K347 PolarHBondContact O-N 3.23Å; K347-V349 HydrophobicContact CB-CG2 4.49Å; K347-V349 PolarHBondContact O-N 3.19Å; K347-F360 HydrophobicContact CB-CE1 3.48Å; K347-F360 VanDerWaalsContact CB-CE1 3.48Å; K347-F360 HydrophobicContact CB-CZ 3.79Å; K347-F360 HydrophobicContact CD-CE1 3.76Å; K347-F360 HydrophobicContact CD-CE2 3.94Å; K347-F360 HydrophobicContact CD-CZ 3.36Å; K347-F360 HydrophobicContact CG-CD1 4.23Å; K347-F360 HydrophobicContact CG-CE1 3.44Å; K347-F360 VanDerWaalsContact CG-CE1 3.44Å; K347-F360 HydrophobicContact CG-CZ 3.64Å
348Q78.7Confident65.8Low71 Ų7182.2 Ų82.233%0.33244%0.439SS..  trans-67.8123.1173.4-53.1155.4-2400108.4N358 S359 D377 I378Q348-N358 WeakPolarHBondContact O-CA 3.41Å; Q348-S359 PolarHBondContact OE1-OG 2.93Å; Q348-D377 VanDerWaalsContact CD-OD1 3.32Å; Q348-D377 PolarHBondContact NE2-OD1 3.41Å; Q348-D377 PolarHBondContact OE1-OD1 3.41Å; Q348-I378 HydrophobicContact CB-CB 3.74Å; Q348-I378 HydrophobicContact CB-CD1 4.37Å; Q348-I378 HydrophobicContact CB-CG1 4.33Å; Q348-I378 HydrophobicContact CB-CG2 4.44Å; Q348-I378 PolarHBondContact NE2-O 2.85Å; Q348-I378 VanDerWaalsContact NE2-O 3.14Å; Q348-I378 PolarHBondContact OE1-O 2.83Å
349V86.9Confident68.7Low64 Ų6479.8 Ų79.839%0.38842%0.424SS..EExtended strand (participates in β ladder)trans-133.3138.1-177.9-179.20000108.1K347 Q356 I357 N358K347-V349 HydrophobicContact CB-CG2 4.49Å; K347-V349 PolarHBondContact O-N 3.19Å; V349-Q356 HydrophobicContact CG1-CB 3.89Å; V349-Q356 HydrophobicContact CG1-CG 4.06Å; V349-I357 WeakPolarHBondContact CA-O 3.38Å; V349-N358 HydrophobicContact CG2-CB 4.11Å
350I90.7Very high71.4Confident31 Ų3178.6 Ų78.616%0.15941%0.412CS..EExtended strand (participates in β ladder)trans-123146.9170.4-163.5167.9000109.9Q356 I357 I378 L384 N422I350-Q356 WeakPolarHBondContact O-CA 3.35Å; I350-I357 HydrophobicContact CG2-CB 3.89Å; I350-I357 HydrophobicContact CG2-CG2 4.48Å; I350-I357 PolarHBondContact N-O 3.11Å; I350-I357 PolarHBondContact O-N 3.39Å; I350-I378 HydrophobicContact CG2-CD1 4.27Å; I350-L384 HydrophobicContact CD1-CD2 4.33Å; I350-L384 HydrophobicContact CG2-CD2 3.87Å; I350-N422 HydrophobicContact CD1-CB 4.23Å
351M91.4Very high74.3Confident105 Ų10577.7 Ų77.752%0.51740%0.403SS..EExtended strand (participates in β ladder)trans-77.6135.3172-65.6-57.5-58.800110.4S355 Q356 N422M351-S355 WeakPolarHBondContact CE-O 2.93Å; M351-Q356 HydrophobicContact CE-CG 4.27Å; M351-Q356 HydrophobicContact SD-CG 3.65Å; M351-N422 PolarHBondContact O-ND2 3.5Å
352F90.3Very high77.3Confident5 Ų577 Ų772%0.02239%0.39CS..EExtended strand (participates in β ladder)trans-143.7109.5177.1175.6-103.5000109.8N354 S355 I357 N422 V425 K428F352-N354 PolarHBondContact O-N 2.64Å; F352-S355 PolarHBondContact N-O 3.14Å; F352-S355 CarbonylContact O-C 3.59Å; F352-S355 VanDerWaalsContact O-CA 3.24Å; F352-S355 WeakPolarHBondContact O-CA 3.41Å; F352-S355 WeakPolarHBondContact O-CB 3.27Å; F352-S355 PolarHBondContact O-N 3.48Å; F352-I357 HydrophobicContact CB-CD1 3.57Å; F352-I357 HydrophobicContact CB-CG1 3.95Å; F352-I357 HydrophobicContact CD1-CD1 3.78Å; F352-I357 HydrophobicContact CD1-CG1 4.38Å; F352-I357 HydrophobicContact CD2-CD1 4.12Å; F352-I357 HydrophobicContact CE1-CD1 4.49Å; F352-I357 HydrophobicContact CG-CD1 3.55Å; F352-I357 HydrophobicContact CG-CG1 4.32Å; F352-N422 VanDerWaalsContact CD2-OD1 3.27Å; F352-N422 WeakPolarHBondContact CD2-OD1 3.44Å; F352-V425 HydrophobicContact CD2-CB 4.32Å; F352-V425 HydrophobicContact CD2-CG1 4.38Å; F352-V425 HydrophobicContact CE1-CG1 4.08Å; F352-V425 HydrophobicContact CE2-CB 3.65Å; F352-V425 HydrophobicContact CE2-CG1 3.74Å; F352-V425 HydrophobicContact CZ-CB 3.95Å; F352-V425 HydrophobicContact CZ-CG1 3.56Å; F352-V425 WeakPolarHBondContact CZ-O 3.37Å; F352-K428 HydrophobicContact CD1-CB 4.5Å
353R85Confident80.3Confident66 Ų6667.5 Ų67.525%0.24935%0.349CS..THydrogen-bonded Turntrans44.162.1173.8-58.2-176.8-171.8153.810.7114S355 V425 D426 T446 M448R353-S355 PolarHBondContact O-N 2.8Å; R353-V425 PolarHBondContact NH2-O 3.39Å; R353-D426 PolarHBondContact NH1-O 3.34Å; R353-T446 WeakPolarHBondContact CD-O 3.26Å; R353-T446 PolarHBondContact NH1-O 2.93Å; R353-M448 PolarHBondContact NE-SD 2.94Å; R353-M448 PolarHBondContact NH2-SD 3.29Å
354N85.1Confident83.1Confident154 Ų15463.5 Ų63.582%0.82432%0.315SS*.THydrogen-bonded Turntrans599.6-176.1-57.2-18.8000115.4F352F352-N354 PolarHBondContact O-N 2.64Å
355S92.7Very high85.7Confident5 Ų560.3 Ų60.34%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-115.1179.4170.7-169.70000110.2D179 M351 F352 R353 K428D179-S355 VanDerWaalsContact CG-OG 3.28Å; D179-S355 VanDerWaalsContact OD1-CB 3.22Å; D179-S355 WeakPolarHBondContact OD1-CB 3.42Å; D179-S355 PolarHBondContact OD1-OG 3.01Å; D179-S355 PolarHBondContact OD2-OG 2.88Å; M351-S355 WeakPolarHBondContact CE-O 2.93Å; F352-S355 PolarHBondContact N-O 3.14Å; F352-S355 CarbonylContact O-C 3.59Å; F352-S355 VanDerWaalsContact O-CA 3.24Å; F352-S355 WeakPolarHBondContact O-CA 3.41Å; F352-S355 WeakPolarHBondContact O-CB 3.27Å; F352-S355 PolarHBondContact O-N 3.48Å; R353-S355 PolarHBondContact O-N 2.8Å; S355-K428 WeakPolarHBondContact OG-CD 3.44Å; S355-K428 PolarHBondContact OG-NZ 3.24Å
356Q92.7Very high88.1Confident47 Ų4754.4 Ų54.422%0.2226%0.256CS..EExtended strand (participates in β ladder)trans-124.5133.2176.2-71175.75.200109.1V339 V349 I350 M351 K428V339-Q356 PolarHBondContact O-NE2 3.49Å; V349-Q356 HydrophobicContact CG1-CB 3.89Å; V349-Q356 HydrophobicContact CG1-CG 4.06Å; I350-Q356 WeakPolarHBondContact O-CA 3.35Å; M351-Q356 HydrophobicContact CE-CG 4.27Å; M351-Q356 HydrophobicContact SD-CG 3.65Å; Q356-K428 VanDerWaalsContact O-CE 3.27Å; Q356-K428 WeakPolarHBondContact O-CE 3.45Å; Q356-K428 PolarHBondContact O-NZ 3.32Å
357I94.6Very high90.3Very high0 Ų044.6 Ų44.60%022%0.22CC..EExtended strand (participates in β ladder)trans-107.3139.6167.4-65.3167.1000107.5V349 I350 F352 V366 I375 V425 K428V349-I357 WeakPolarHBondContact CA-O 3.38Å; I350-I357 HydrophobicContact CG2-CB 3.89Å; I350-I357 HydrophobicContact CG2-CG2 4.48Å; I350-I357 PolarHBondContact N-O 3.11Å; I350-I357 PolarHBondContact O-N 3.39Å; F352-I357 HydrophobicContact CB-CD1 3.57Å; F352-I357 HydrophobicContact CB-CG1 3.95Å; F352-I357 HydrophobicContact CD1-CD1 3.78Å; F352-I357 HydrophobicContact CD1-CG1 4.38Å; F352-I357 HydrophobicContact CD2-CD1 4.12Å; F352-I357 HydrophobicContact CE1-CD1 4.49Å; F352-I357 HydrophobicContact CG-CD1 3.55Å; F352-I357 HydrophobicContact CG-CG1 4.32Å; I357-V366 HydrophobicContact CD1-CG1 3.83Å; I357-V366 HydrophobicContact CG1-CG1 4.2Å; I357-V366 HydrophobicContact CG2-CG1 4.31Å; I357-I375 HydrophobicContact CG2-CB 4.26Å; I357-I375 HydrophobicContact CG2-CG1 3.83Å; I357-I375 HydrophobicContact CG2-CG2 4.46Å; I357-V425 HydrophobicContact CD1-CG1 4.12Å; I357-K428 HydrophobicContact CG1-CD 4.33Å
358N93.7Very high91.9Very high9 Ų940 Ų405%0.04820%0.201CC..EExtended strand (participates in β ladder)trans-132.3175.2176.15917.8000110.6Q348 V349 F360 D363 N364Q348-N358 WeakPolarHBondContact O-CA 3.41Å; V349-N358 HydrophobicContact CG2-CB 4.11Å; N358-F360 VanDerWaalsContact C-N 3.34Å; N358-F360 HydrophobicContact CB-CD1 4.05Å; N358-F360 HydrophobicContact CB-CE1 3.53Å; N358-F360 HydrophobicContact CB-CE2 4.39Å; N358-F360 HydrophobicContact CB-CZ 3.69Å; N358-F360 WeakPolarHBondContact ND2-CE2 3.45Å; N358-F360 WeakPolarHBondContact ND2-CZ 3.47Å; N358-F360 PolarHBondContact OD1-O 3.36Å; N358-D363 WeakPolarHBondContact ND2-CB 3.2Å; N358-D363 PolarHBondContact ND2-OD2 2.86Å; N358-D363 WeakPolarHBondContact OD1-CA 3.47Å; N358-D363 VanDerWaalsContact OD1-CB 3.26Å; N358-D363 WeakPolarHBondContact OD1-CB 3.33Å; N358-N364 VanDerWaalsContact O-CA 3.26Å; N358-N364 WeakPolarHBondContact O-CA 3.48Å; N358-N364 WeakPolarHBondContact O-CB 3.31Å; N358-N364 PolarHBondContact OD1-N 3.07Å
359S92.6Very high92.6Very high28 Ų2841.8 Ų41.820%0.19621%0.212CC..SBendtrans-87.94.7179.651.60000114.4Q348Q348-S359 PolarHBondContact OE1-OG 2.93Å
360F92.4Very high92.9Very high60 Ų6049 Ų4926%0.26323%0.233SC..SBendtrans-135.2155-174.853.5-86.1000112.9K347 N358 D363 N364K347-F360 HydrophobicContact CB-CE1 3.48Å; K347-F360 VanDerWaalsContact CB-CE1 3.48Å; K347-F360 HydrophobicContact CB-CZ 3.79Å; K347-F360 HydrophobicContact CD-CE1 3.76Å; K347-F360 HydrophobicContact CD-CE2 3.94Å; K347-F360 HydrophobicContact CD-CZ 3.36Å; K347-F360 HydrophobicContact CG-CD1 4.23Å; K347-F360 HydrophobicContact CG-CE1 3.44Å; K347-F360 VanDerWaalsContact CG-CE1 3.44Å; K347-F360 HydrophobicContact CG-CZ 3.64Å; N358-F360 VanDerWaalsContact C-N 3.34Å; N358-F360 HydrophobicContact CB-CD1 4.05Å; N358-F360 HydrophobicContact CB-CE1 3.53Å; N358-F360 HydrophobicContact CB-CE2 4.39Å; N358-F360 HydrophobicContact CB-CZ 3.69Å; N358-F360 WeakPolarHBondContact ND2-CE2 3.45Å; N358-F360 WeakPolarHBondContact ND2-CZ 3.47Å; N358-F360 PolarHBondContact OD1-O 3.36Å; F360-D363 PolarHBondContact O-N 2.9Å; F360-N364 VanDerWaalsContact C-CG 3.44Å; F360-N364 WeakPolarHBondContact O-CB 3.42Å; F360-N364 PolarHBondContact O-N 3.24Å
361K92Very high93.1Very high133 Ų13353.7 Ų53.758%0.57825%0.252SS*.THydrogen-bonded Turntrans-60.1148.3177.6-67.7-177179.6-178.20111.5N364K361-N364 WeakPolarHBondContact CA-OD1 3.41Å; K361-N364 PolarHBondContact N-OD1 3.1Å
362P94.1Very high93.4Very high30 Ų3048.7 Ų48.720%0.19523%0.227CC..THydrogen-bonded Turncis-93.5-2.9234.6-33.2000115.1T176T176-P362 VanDerWaalsContact O-CG 3.31Å; T176-P362 WeakPolarHBondContact O-CG 3.44Å
363D95.6Very high93.7Very high10 Ų1048.5 Ų48.55%0.05323%0.226CC..THydrogen-bonded Turntrans-93.19.1-170.2-52.6-87.8000114.4P177 S178 N358 F360 K428P177-D363 WeakPolarHBondContact CA-OD1 3.35Å; P177-D363 WeakPolarHBondContact CB-OD1 3.48Å; S178-D363 WeakPolarHBondContact CB-OD1 3.19Å; S178-D363 PolarHBondContact N-OD1 2.89Å; S178-D363 VanDerWaalsContact OG-CG 3.27Å; S178-D363 PolarHBondContact OG-OD1 3.49Å; N358-D363 WeakPolarHBondContact ND2-CB 3.2Å; N358-D363 PolarHBondContact ND2-OD2 2.86Å; N358-D363 WeakPolarHBondContact OD1-CA 3.47Å; N358-D363 VanDerWaalsContact OD1-CB 3.26Å; N358-D363 WeakPolarHBondContact OD1-CB 3.33Å; F360-D363 PolarHBondContact O-N 2.9Å; D363-K428 WeakPolarHBondContact OD1-CE 3.37Å; D363-K428 IonicContact OD1-NZ 3.2Å; D363-K428 PolarHBondContact OD1-NZ 3.36Å
364N95.9Very high94.3Very high9 Ų946.5 Ų46.55%0.04822%0.22CC..THydrogen-bonded Turntrans-95.510.8-177.176.1-36.4000114.8N358 F360 K361 L374 I375N358-N364 VanDerWaalsContact O-CA 3.26Å; N358-N364 WeakPolarHBondContact O-CA 3.48Å; N358-N364 WeakPolarHBondContact O-CB 3.31Å; N358-N364 PolarHBondContact OD1-N 3.07Å; F360-N364 VanDerWaalsContact C-CG 3.44Å; F360-N364 WeakPolarHBondContact O-CB 3.42Å; F360-N364 PolarHBondContact O-N 3.24Å; K361-N364 WeakPolarHBondContact CA-OD1 3.41Å; K361-N364 PolarHBondContact N-OD1 3.1Å; N364-L374 CarbonylContact O-C 3.54Å; N364-L374 WeakPolarHBondContact O-CA 3.23Å; N364-I375 WeakPolarHBondContact CB-O 2.91Å; N364-I375 PolarHBondContact ND2-O 3.12Å; N364-I375 VanDerWaalsContact ND2-O 3.12Å; N364-I375 PolarHBondContact O-N 3.35Å
365V97.1Very high94.8Very high3 Ų339.1 Ų39.12%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-103.1124.1-176.4-171.10000109.1L374 C429 I440V365-L374 HydrophobicContact CB-CD2 4.42Å; V365-L374 HydrophobicContact CG1-CD2 4.46Å; V365-L374 HydrophobicContact CG2-CD2 3.74Å; V365-C429 HydrophobicContact CB-CB 4.32Å; V365-C429 HydrophobicContact CG1-CB 3.89Å; V365-C429 PolarHBondContact O-N 3.41Å; V365-I440 HydrophobicContact CG1-CD1 3.99Å; V365-I440 HydrophobicContact CG1-CG2 3.91Å
366V97.2Very high94.9Very high0 Ų040.9 Ų40.90%019%0.191CC..EExtended strand (participates in β ladder)trans-139.8164.2-174.7-62.10000111.3I357 V368 P372 G373 I375 F386 V425 C427I357-V366 HydrophobicContact CD1-CG1 3.83Å; I357-V366 HydrophobicContact CG1-CG1 4.2Å; I357-V366 HydrophobicContact CG2-CG1 4.31Å; V366-V368 HydrophobicContact CG2-CG2 3.9Å; V366-P372 CarbonylContact O-C 3.57Å; V366-P372 WeakPolarHBondContact O-CA 3.45Å; V366-G373 PolarHBondContact N-O 2.8Å; V366-G373 PolarHBondContact O-N 2.9Å; V366-I375 HydrophobicContact CG1-CG1 4.17Å; V366-I375 HydrophobicContact CG2-CD1 3.67Å; V366-I375 HydrophobicContact CG2-CG1 3.84Å; V366-F386 HydrophobicContact CG2-CD2 3.95Å; V366-F386 HydrophobicContact CG2-CE2 3.97Å; V366-V425 HydrophobicContact CB-CG1 4.03Å; V366-V425 HydrophobicContact CG1-CG1 4.12Å; V366-C427 WeakPolarHBondContact CA-O 3.32Å
367V96.8Very high95Very high7 Ų741.1 Ų41.14%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-108.3130.2162.91800000107.9K371 P372 F408 D426 C427V367-K371 WeakPolarHBondContact CA-O 3.3Å; V367-P372 HydrophobicContact CG2-CB 4.39Å; V367-F408 HydrophobicContact CG2-CD2 4.48Å; V367-F408 HydrophobicContact CG2-CE2 3.83Å; V367-D426 HydrophobicContact CB-CB 4.23Å; V367-D426 HydrophobicContact CG1-CB 4.12Å; V367-D426 WeakPolarHBondContact CG1-OD2 3.17Å; V367-D426 PolarHBondContact O-N 3.37Å; V367-C427 PolarHBondContact N-O 3.41Å
368V95.7Very high95Very high4 Ų441.5 Ų41.52%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-127123.1177.1174.60000107.6V366 R370 K371 F386 V420 D424 V425V366-V368 HydrophobicContact CG2-CG2 3.9Å; V368-R370 VanDerWaalsContact C-N 3.26Å; V368-R370 PolarHBondContact O-N 3.38Å; V368-K371 PolarHBondContact N-O 3.39Å; V368-K371 WeakPolarHBondContact O-CB 3.41Å; V368-K371 PolarHBondContact O-N 3Å; V368-F386 HydrophobicContact CB-CD1 4.31Å; V368-F386 HydrophobicContact CB-CD2 4.23Å; V368-F386 HydrophobicContact CB-CE1 4.04Å; V368-F386 HydrophobicContact CB-CE2 3.94Å; V368-F386 HydrophobicContact CB-CG 4.4Å; V368-F386 HydrophobicContact CB-CZ 3.86Å; V368-F386 HydrophobicContact CG2-CD2 3.7Å; V368-F386 HydrophobicContact CG2-CE2 3.73Å; V368-F386 HydrophobicContact CG2-CG 4.11Å; V368-F386 HydrophobicContact CG2-CZ 4.18Å; V368-V420 HydrophobicContact CG1-CB 4.42Å; V368-V420 HydrophobicContact CG1-CG1 4.12Å; V368-V420 HydrophobicContact CG1-CG2 4.44Å; V368-V420 HydrophobicContact CG2-CG2 4.33Å; V368-D424 HydrophobicContact CG1-CB 4.17Å; V368-V425 HydrophobicContact CG2-CG2 4.19Å
369N93.1Very high94.9Very high107 Ų10744.8 Ų44.857%0.57221%0.211SC*.THydrogen-bonded Turntrans47.249-178.9-64.8-50.4000112.7K371 D426N369-K371 PolarHBondContact O-N 2.77Å; N369-D426 PolarHBondContact N-OD2 3.37Å; N369-D426 VanDerWaalsContact N-OD2 3.09Å
370R92.1Very high94.5Very high217 Ų21751.9 Ų51.982%0.81925%0.247SC*.THydrogen-bonded Turntrans63.510.1-176.9-53.7-176.7178.4179.50.4116.1V368 D426V368-R370 VanDerWaalsContact C-N 3.26Å; V368-R370 PolarHBondContact O-N 3.38Å; R370-D426 PolarHBondContact N-OD2 3.38Å
371K94.8Very high94.3Very high129 Ų12953 Ų5356%0.56126%0.263SS*.EExtended strand (participates in β ladder)trans-107.8123176.3-65.6-178.2-179.7179.20110.1V367 V368 N369 F386V367-K371 WeakPolarHBondContact CA-O 3.3Å; V368-K371 PolarHBondContact N-O 3.39Å; V368-K371 WeakPolarHBondContact O-CB 3.41Å; V368-K371 PolarHBondContact O-N 3Å; N369-K371 PolarHBondContact O-N 2.77Å; K371-F386 WeakPolarHBondContact O-CZ 3.44Å
372P97.2Very high94.1Very high0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-70.5147.7173.331.3-35.6000110.2V366 V367 F389 P392 F408 I440V366-P372 CarbonylContact O-C 3.57Å; V366-P372 WeakPolarHBondContact O-CA 3.45Å; V367-P372 HydrophobicContact CG2-CB 4.39Å; P372-F389 HydrophobicContact CB-CD2 4.03Å; P372-F389 HydrophobicContact CG-CB 4.47Å; P372-F389 HydrophobicContact CG-CD2 4.32Å; P372-F389 WeakPolarHBondContact O-CD2 3.32Å; P372-F389 PolarHBondContact O-N 3.28Å; P372-P392 HydrophobicContact CG-CB 3.71Å; P372-P392 HydrophobicContact CG-CG 4.32Å; P372-F408 HydrophobicContact CB-CB 4.48Å; P372-F408 HydrophobicContact CB-CD2 3.88Å; P372-F408 HydrophobicContact CB-CE2 4.34Å; P372-F408 HydrophobicContact CB-CG 4.2Å; P372-F408 HydrophobicContact CG-CB 3.97Å; P372-F408 HydrophobicContact CG-CD1 4.06Å; P372-F408 HydrophobicContact CG-CD2 3.87Å; P372-F408 HydrophobicContact CG-CE2 4.36Å; P372-F408 HydrophobicContact CG-CG 3.7Å; P372-I440 HydrophobicContact CB-CG1 4.42Å; P372-I440 HydrophobicContact CB-CG2 4.27Å
373G97.2Very high94.1Very high0 Ų049.4 Ų49.40%025%0.253CS..EExtended strand (participates in β ladder)trans-172.2-171.8176.200000113.9V366 R387V366-G373 PolarHBondContact N-O 2.8Å; V366-G373 PolarHBondContact O-N 2.9Å; G373-R387 CarbonylContact C-O 3.58Å; G373-R387 WeakPolarHBondContact CA-O 3.4Å
374L97.1Very high94.1Very high24 Ų2448.9 Ų48.913%0.12625%0.25CC..EExtended strand (participates in β ladder)trans-114.1136.1-177.8-57.3-179.2000110.8N364 V365 T376 F386 R387 F389 V413N364-L374 CarbonylContact O-C 3.54Å; N364-L374 WeakPolarHBondContact O-CA 3.23Å; V365-L374 HydrophobicContact CB-CD2 4.42Å; V365-L374 HydrophobicContact CG1-CD2 4.46Å; V365-L374 HydrophobicContact CG2-CD2 3.74Å; L374-T376 HydrophobicContact CB-CG2 4.2Å; L374-F386 WeakPolarHBondContact O-CA 3.18Å; L374-R387 PolarHBondContact N-O 3.33Å; L374-R387 PolarHBondContact O-N 2.86Å; L374-F389 HydrophobicContact CD2-CE2 4.18Å; L374-F389 HydrophobicContact CD2-CZ 3.91Å; L374-F389 HydrophobicContact CG-CE2 4.34Å; L374-F389 HydrophobicContact CG-CZ 4.05Å; L374-V413 HydrophobicContact CD1-CG1 4.25Å; L374-V413 HydrophobicContact CD1-CG2 3.71Å; L374-V413 HydrophobicContact CG-CG2 4.38Å
375I96.6Very high94.1Very high0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-81.2127.5159.6-55.9-47.3000107.9I357 N364 V366 I378 L384 K385 F386I357-I375 HydrophobicContact CG2-CB 4.26Å; I357-I375 HydrophobicContact CG2-CG1 3.83Å; I357-I375 HydrophobicContact CG2-CG2 4.46Å; N364-I375 WeakPolarHBondContact CB-O 2.91Å; N364-I375 PolarHBondContact ND2-O 3.12Å; N364-I375 VanDerWaalsContact ND2-O 3.12Å; N364-I375 PolarHBondContact O-N 3.35Å; V366-I375 HydrophobicContact CG1-CG1 4.17Å; V366-I375 HydrophobicContact CG2-CD1 3.67Å; V366-I375 HydrophobicContact CG2-CG1 3.84Å; I375-I378 HydrophobicContact CG2-CD1 4.25Å; I375-I378 HydrophobicContact CG2-CG1 3.8Å; I375-L384 HydrophobicContact CD1-CB 3.86Å; I375-L384 HydrophobicContact CD1-CD1 4.37Å; I375-L384 HydrophobicContact CG1-CB 4.49Å; I375-L384 HydrophobicContact CG2-CB 4.24Å; I375-K385 WeakPolarHBondContact CA-O 3.33Å; I375-F386 HydrophobicContact CD1-CB 4.11Å; I375-F386 HydrophobicContact CD1-CD2 4.05Å
376T95.3Very high94.1Very high42 Ų4251.1 Ų51.126%0.25826%0.259SS..EExtended strand (participates in β ladder)trans-119.7-12.4-174.754.50000113.7L374 K385 R387L374-T376 HydrophobicContact CB-CG2 4.2Å; T376-K385 PolarHBondContact N-O 2.9Å; T376-K385 PolarHBondContact OG1-O 3.18Å; T376-R387 HydrophobicContact CG2-CG 4.3Å
377D94.6Very high94.1Very high52 Ų5255.1 Ų55.128%0.27827%0.274SS..EExtended strand (participates in β ladder)trans-162.3151.4178.7-161.28000108.4Q348 K385 W419Q348-D377 VanDerWaalsContact CD-OD1 3.32Å; Q348-D377 PolarHBondContact NE2-OD1 3.41Å; Q348-D377 PolarHBondContact OE1-OD1 3.41Å; D377-K385 HydrophobicContact CB-CB 3.66Å; D377-K385 HydrophobicContact CB-CD 3.77Å; D377-K385 HydrophobicContact CB-CG 4.39Å; D377-K385 WeakPolarHBondContact O-CB 3.41Å; D377-K385 PolarHBondContact O-N 2.67Å; D377-W419 HydrophobicContact CB-CH2 4.18Å
378I94Very high94.2Very high8 Ų856 Ų564%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-136.4120.6178.7-57.2179.8000107.6Q348 I350 I375 L383 L384Q348-I378 HydrophobicContact CB-CB 3.74Å; Q348-I378 HydrophobicContact CB-CD1 4.37Å; Q348-I378 HydrophobicContact CB-CG1 4.33Å; Q348-I378 HydrophobicContact CB-CG2 4.44Å; Q348-I378 PolarHBondContact NE2-O 2.85Å; Q348-I378 VanDerWaalsContact NE2-O 3.14Å; Q348-I378 PolarHBondContact OE1-O 2.83Å; I350-I378 HydrophobicContact CG2-CD1 4.27Å; I375-I378 HydrophobicContact CG2-CD1 4.25Å; I375-I378 HydrophobicContact CG2-CG1 3.8Å; I378-L383 WeakPolarHBondContact CA-O 3.45Å; I378-L384 HydrophobicContact CB-CD2 4.26Å; I378-L384 HydrophobicContact CD1-CD2 4.01Å; I378-L384 HydrophobicContact CG1-CD2 3.73Å; I378-L384 HydrophobicContact CG2-CD2 3.87Å
379Q91Very high94.2Very high78 Ų7856.3 Ų56.336%0.36428%0.281SS..  trans-77.4158.7176.8-75.6178.57.200111.9S381 G382 L383 W419Q379-S381 WeakPolarHBondContact CB-OG 3.27Å; Q379-S381 PolarHBondContact O-N 3.04Å; Q379-S381 VanDerWaalsContact O-N 3.14Å; Q379-S381 PolarHBondContact OE1-OG 2.9Å; Q379-G382 PolarHBondContact O-N 3.2Å; Q379-L383 HydrophobicContact CB-CB 4.45Å; Q379-L383 PolarHBondContact N-O 3.42Å; Q379-W419 HydrophobicContact CB-CZ3 4.38Å; Q379-W419 HydrophobicContact CG-CE3 4.32Å; Q379-W419 HydrophobicContact CG-CH2 3.55Å; Q379-W419 HydrophobicContact CG-CZ2 4.31Å; Q379-W419 HydrophobicContact CG-CZ3 3.56Å; Q379-W419 VanDerWaalsContact NE2-CZ2 3.28Å
380D85.4Confident94.2Very high176 Ų17654 Ų5494%0.94127%0.271SS*.THydrogen-bonded Turntrans-58.5-24.9171.6-60.5-29.3000112.7G382D380-G382 PolarHBondContact O-N 3.37Å
381S87.6Confident94.1Very high85 Ų8549.2 Ų49.259%0.59426%0.262SS*.THydrogen-bonded Turntrans-70.6-12.6173.263.10000114.1Q379 L383Q379-S381 WeakPolarHBondContact CB-OG 3.27Å; Q379-S381 PolarHBondContact O-N 3.04Å; Q379-S381 VanDerWaalsContact O-N 3.14Å; Q379-S381 PolarHBondContact OE1-OG 2.9Å; S381-L383 PolarHBondContact OG-N 2.99Å
382G87.8Confident94.1Very high22 Ų2245.3 Ų45.323%0.22725%0.249CC..SBendtrans87.81.2-173.200000114.9Q379 D380Q379-G382 PolarHBondContact O-N 3.2Å; D380-G382 PolarHBondContact O-N 3.37Å
383L93.3Very high93.9Very high64 Ų6448.9 Ų48.934%0.33527%0.266SS..  trans-69.8139.2172.9-70.6175.2000111.4I378 Q379 S381 W419I378-L383 WeakPolarHBondContact CA-O 3.45Å; Q379-L383 HydrophobicContact CB-CB 4.45Å; Q379-L383 PolarHBondContact N-O 3.42Å; S381-L383 PolarHBondContact OG-N 2.99Å; L383-W419 HydrophobicContact CB-CE3 3.89Å; L383-W419 HydrophobicContact CB-CZ3 4.49Å; L383-W419 WeakPolarHBondContact O-CZ3 3.37Å
384L95.8Very high93.8Very high0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-109.3128.5-175-48.3176.7000110.5I350 I375 I378 F386 W419 V420 V425I350-L384 HydrophobicContact CD1-CD2 4.33Å; I350-L384 HydrophobicContact CG2-CD2 3.87Å; I375-L384 HydrophobicContact CD1-CB 3.86Å; I375-L384 HydrophobicContact CD1-CD1 4.37Å; I375-L384 HydrophobicContact CG1-CB 4.49Å; I375-L384 HydrophobicContact CG2-CB 4.24Å; I378-L384 HydrophobicContact CB-CD2 4.26Å; I378-L384 HydrophobicContact CD1-CD2 4.01Å; I378-L384 HydrophobicContact CG1-CD2 3.73Å; I378-L384 HydrophobicContact CG2-CD2 3.87Å; L384-F386 PolarHBondContact O-N 3.32Å; L384-W419 WeakPolarHBondContact O-CA 3.42Å; L384-V420 HydrophobicContact CB-CG2 4.06Å; L384-V420 PolarHBondContact N-O 2.93Å; L384-V420 PolarHBondContact O-N 3.49Å; L384-V425 HydrophobicContact CD1-CG2 3.86Å
385K96.6Very high93.6Very high49 Ų4950.6 Ų50.621%0.21327%0.274CS..EExtended strand (participates in β ladder)trans-82.597.7175.1-167.4176.2-171.8170.10110.2I375 T376 D377 C417 W419I375-K385 WeakPolarHBondContact CA-O 3.33Å; T376-K385 PolarHBondContact N-O 2.9Å; T376-K385 PolarHBondContact OG1-O 3.18Å; D377-K385 HydrophobicContact CB-CB 3.66Å; D377-K385 HydrophobicContact CB-CD 3.77Å; D377-K385 HydrophobicContact CB-CG 4.39Å; D377-K385 WeakPolarHBondContact O-CB 3.41Å; D377-K385 PolarHBondContact O-N 2.67Å; K385-C417 WeakPolarHBondContact CE-SG 3.35Å; K385-C417 HydrophobicContact CG-CB 4.17Å; K385-W419 HydrophobicContact CB-CD2 4.36Å; K385-W419 HydrophobicContact CB-CE3 3.97Å; K385-W419 HydrophobicContact CB-CH2 3.75Å; K385-W419 HydrophobicContact CB-CZ2 4.16Å; K385-W419 HydrophobicContact CB-CZ3 3.64Å; K385-W419 HydrophobicContact CD-CH2 4.25Å; K385-W419 HydrophobicContact CD-CZ2 4.08Å; K385-W419 HydrophobicContact CG-CH2 4.34Å; K385-W419 HydrophobicContact CG-CZ2 4.26Å
386F97.5Very high93.2Very high9 Ų951.2 Ų51.24%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-91.2129.3-177.2176.8-109.3000111.9V366 V368 K371 L374 I375 L384 P388 C417 S418 V420V366-F386 HydrophobicContact CG2-CD2 3.95Å; V366-F386 HydrophobicContact CG2-CE2 3.97Å; V368-F386 HydrophobicContact CB-CD1 4.31Å; V368-F386 HydrophobicContact CB-CD2 4.23Å; V368-F386 HydrophobicContact CB-CE1 4.04Å; V368-F386 HydrophobicContact CB-CE2 3.94Å; V368-F386 HydrophobicContact CB-CG 4.4Å; V368-F386 HydrophobicContact CB-CZ 3.86Å; V368-F386 HydrophobicContact CG2-CD2 3.7Å; V368-F386 HydrophobicContact CG2-CE2 3.73Å; V368-F386 HydrophobicContact CG2-CG 4.11Å; V368-F386 HydrophobicContact CG2-CZ 4.18Å; K371-F386 WeakPolarHBondContact O-CZ 3.44Å; L374-F386 WeakPolarHBondContact O-CA 3.18Å; I375-F386 HydrophobicContact CD1-CB 4.11Å; I375-F386 HydrophobicContact CD1-CD2 4.05Å; L384-F386 PolarHBondContact O-N 3.32Å; F386-P388 HydrophobicContact CE1-CB 3.72Å; F386-P388 HydrophobicContact CE1-CG 4.25Å; F386-P388 HydrophobicContact CZ-CB 3.98Å; F386-C417 VanDerWaalsContact O-CA 3.26Å; F386-C417 WeakPolarHBondContact O-CA 3.19Å; F386-S418 PolarHBondContact N-O 3.5Å; F386-S418 PolarHBondContact O-N 2.85Å; F386-V420 HydrophobicContact CB-CG1 4.18Å; F386-V420 HydrophobicContact CB-CG2 3.82Å
387R97.4Very high92.8Very high84 Ų8454.3 Ų54.332%0.31729%0.288SS..EExtended strand (participates in β ladder)trans-116.6108.7170.4-76-168.3176.4133.7-3.4109.9G373 L374 T376 V413 C417G373-R387 CarbonylContact C-O 3.58Å; G373-R387 WeakPolarHBondContact CA-O 3.4Å; L374-R387 PolarHBondContact N-O 3.33Å; L374-R387 PolarHBondContact O-N 2.86Å; T376-R387 HydrophobicContact CG2-CG 4.3Å; R387-V413 HydrophobicContact CB-CG1 3.82Å; R387-C417 HydrophobicContact CG-CB 3.7Å
388P97.5Very high92Very high27 Ų2757.4 Ų57.418%0.17531%0.305CS..EExtended strand (participates in β ladder)trans-69.1153.4179.927.7-32.8000111.7F386 S414F386-P388 HydrophobicContact CE1-CB 3.72Å; F386-P388 HydrophobicContact CE1-CG 4.25Å; F386-P388 HydrophobicContact CZ-CB 3.98Å; P388-S414 VanDerWaalsContact O-CB 3.28Å; P388-S414 WeakPolarHBondContact O-CB 3.38Å; P388-S414 PolarHBondContact O-N 3.35Å
389F96.4Very high90.8Very high9 Ų960 Ų604%0.03932%0.323CS..EExtended strand (participates in β ladder)trans-73.5139.4160.8-69.6-79.5000109.9P372 L374 C410 V412 V413 L438 I440P372-F389 HydrophobicContact CB-CD2 4.03Å; P372-F389 HydrophobicContact CG-CB 4.47Å; P372-F389 HydrophobicContact CG-CD2 4.32Å; P372-F389 WeakPolarHBondContact O-CD2 3.32Å; P372-F389 PolarHBondContact O-N 3.28Å; L374-F389 HydrophobicContact CD2-CE2 4.18Å; L374-F389 HydrophobicContact CD2-CZ 3.91Å; L374-F389 HydrophobicContact CG-CE2 4.34Å; L374-F389 HydrophobicContact CG-CZ 4.05Å; F389-C410 HydrophobicContact CB-CB 3.81Å; F389-C410 HydrophobicContact CD1-CB 3.59Å; F389-C410 HydrophobicContact CD2-CB 3.98Å; F389-C410 HydrophobicContact CE1-CB 4.11Å; F389-C410 HydrophobicContact CE2-CB 4.48Å; F389-C410 HydrophobicContact CG-CB 3.52Å; F389-V412 CarbonylContact C-O 3.37Å; F389-V412 WeakPolarHBondContact CA-O 3.29Å; F389-V412 WeakPolarHBondContact CD1-O 3.25Å; F389-V413 HydrophobicContact CD1-CG2 3.71Å; F389-V413 HydrophobicContact CE1-CG2 3.36Å; F389-V413 HydrophobicContact CZ-CG2 4.13Å; F389-L438 HydrophobicContact CE1-CD1 3.71Å; F389-L438 HydrophobicContact CZ-CD1 3.71Å; F389-I440 HydrophobicContact CE2-CD1 4.02Å; F389-I440 HydrophobicContact CE2-CG1 4.27Å; F389-I440 HydrophobicContact CZ-CD1 4.24Å
390T93.1Very high90.2Very high60 Ų6060.4 Ų60.437%0.36833%0.327SS..EExtended strand (participates in β ladder)trans-79.4138.617255.90000109.9V412T390-V412 PolarHBondContact N-O 3.25Å; T390-V412 WeakPolarHBondContact OG1-CB 3.3Å; T390-V412 PolarHBondContact OG1-O 2.98Å; T390-V412 VanDerWaalsContact OG1-O 3.08Å
391D90.2Very high90.3Very high116 Ų11653.8 Ų53.862%0.6229%0.293SS*.SBendtrans48.762.4176.6-169.142000114.6Q393D391-Q393 PolarHBondContact O-N 3.47Å; D391-Q393 PolarHBondContact OD2-NE2 3.42Å
392P93.7Very high90.4Very high46 Ų4649.7 Ų49.730%0.29927%0.265SS..  trans-66.3121.8174.628.6-33.9000110.8P372 F408P372-P392 HydrophobicContact CG-CB 3.71Å; P372-P392 HydrophobicContact CG-CG 4.32Å; P392-F408 HydrophobicContact CB-CB 4.35Å; P392-F408 HydrophobicContact CB-CD1 3.88Å; P392-F408 HydrophobicContact CB-CG 4.42Å
393Q94.8Very high90.5Very high76 Ų7650.6 Ų50.636%0.35527%0.266SS..EExtended strand (participates in β ladder)trans-106.9165.4-175.2-66.6175.16.100112.3D391 Y395 K409D391-Q393 PolarHBondContact O-N 3.47Å; D391-Q393 PolarHBondContact OD2-NE2 3.42Å; Q393-Y395 PolarHBondContact O-N 3.36Å; Q393-K409 HydrophobicContact CB-CB 4.3Å; Q393-K409 HydrophobicContact CB-CD 4.49Å; Q393-K409 PolarHBondContact N-O 2.93Å; Q393-K409 PolarHBondContact O-N 3.29Å; Q393-K409 VanDerWaalsContact OE1-NZ 3.11Å
394N93.5Very high90.1Very high43 Ų4352.3 Ų52.323%0.2328%0.275CS..EExtended strand (participates in β ladder)trans-62.8128.3164.8-67.7-42.7000110.3E397 P401 S402 T403N394-E397 WeakPolarHBondContact CB-OE1 3.36Å; N394-E397 VanDerWaalsContact ND2-CD 3.32Å; N394-E397 PolarHBondContact ND2-OE1 2.89Å; N394-E397 PolarHBondContact ND2-OE2 3.24Å; N394-E397 VanDerWaalsContact ND2-OE2 3.07Å; N394-P401 WeakPolarHBondContact OD1-CB 3.27Å; N394-S402 WeakPolarHBondContact CA-OG 3.29Å; N394-S402 PolarHBondContact OD1-N 3.03Å; N394-T403 WeakPolarHBondContact OD1-CB 3.18Å; N394-T403 VanDerWaalsContact OD1-CG2 3.26Å; N394-T403 WeakPolarHBondContact OD1-CG2 3.16Å; N394-T403 PolarHBondContact OD1-N 3.11Å; N394-T403 VanDerWaalsContact OD1-N 3.16Å; N394-T403 PolarHBondContact OD1-OG1 3.44Å
395Y93.2Very high89.6Confident16 Ų1652.6 Ų52.66%0.06328%0.277CS..SBendtrans-74.8-39.5165.9-176.5-116.9000110.8V208 R211 Q393 S402 K409 H437 V439V208-Y395 WeakPolarHBondContact CA-OH 3.08Å; V208-Y395 HydrophobicContact CB-CE1 4.48Å; V208-Y395 HydrophobicContact CG2-CE1 4.1Å; V208-Y395 PolarHBondContact O-OH 3.26Å; V208-Y395 VanDerWaalsContact O-OH 3.13Å; R211-Y395 VanDerWaalsContact CD-OH 3.31Å; R211-Y395 WeakPolarHBondContact CD-OH 3.22Å; R211-Y395 PolarHBondContact NH1-O 3Å; Q393-Y395 PolarHBondContact O-N 3.36Å; Y395-S402 PolarHBondContact N-OG 3.38Å; Y395-K409 HydrophobicContact CD2-CB 4.4Å; Y395-H437 AromaticContact CE2-NE2 3.75Å; Y395-V439 HydrophobicContact CD1-CG1 4.04Å; Y395-V439 HydrophobicContact CD1-CG2 4.49Å; Y395-V439 HydrophobicContact CD2-CB 4.49Å; Y395-V439 HydrophobicContact CD2-CG1 4.21Å; Y395-V439 HydrophobicContact CD2-CG2 3.44Å; Y395-V439 VanDerWaalsContact CD2-CG2 3.44Å; Y395-V439 HydrophobicContact CE1-CG1 4.46Å; Y395-V439 HydrophobicContact CE1-CG2 4.48Å; Y395-V439 HydrophobicContact CE2-CG2 3.38Å; Y395-V439 HydrophobicContact CG-CG1 3.93Å; Y395-V439 HydrophobicContact CG-CG2 4.03Å
396F88.4Confident89.2Confident13 Ų1351.1 Ų51.16%0.05728%0.275CS..  trans-139.2150.1171.252-104.2000110.6L227 S402 K405 I407L227-F396 HydrophobicContact CD1-CE2 4.15Å; L227-F396 HydrophobicContact CD1-CZ 4.26Å; L227-F396 HydrophobicContact CD2-CE1 3.93Å; L227-F396 HydrophobicContact CD2-CE2 4.12Å; L227-F396 HydrophobicContact CD2-CZ 3.48Å; L227-F396 VanDerWaalsContact CD2-CZ 3.48Å; F396-S402 VanDerWaalsContact CE2-CB 3.41Å; F396-S402 VanDerWaalsContact CZ-CB 3.49Å; F396-S402 WeakPolarHBondContact O-CB 3.39Å; F396-S402 PolarHBondContact O-N 3.33Å; F396-K405 HydrophobicContact CE2-CD 4.32Å; F396-I407 HydrophobicContact CE1-CD1 4.29Å; F396-I407 HydrophobicContact CE1-CG2 4.37Å; F396-I407 HydrophobicContact CZ-CD1 4.01Å
397E86.8Confident89Confident107 Ų10751.1 Ų51.150%0.528%0.276SS..  trans-94.1-36.6177-62.8-61.8163.100112.1N394 P399 L400 P401N394-E397 WeakPolarHBondContact CB-OE1 3.36Å; N394-E397 VanDerWaalsContact ND2-CD 3.32Å; N394-E397 PolarHBondContact ND2-OE1 2.89Å; N394-E397 PolarHBondContact ND2-OE2 3.24Å; N394-E397 VanDerWaalsContact ND2-OE2 3.07Å; E397-P399 CarbonylContact O-C 3.59Å; E397-L400 CarbonylContact O-C 2.86Å; E397-L400 VanDerWaalsContact O-CA 3.26Å; E397-L400 WeakPolarHBondContact O-CA 3.46Å; E397-L400 PolarHBondContact O-N 2.95Å; E397-L400 VanDerWaalsContact O-N 3.13Å; E397-P401 VanDerWaalsContact O-N 3.16Å
398D78.4Confident88.9Confident117 Ų11747.8 Ų47.863%0.62626%0.263SS*.SBendtrans-97.5141.8-176.1-69.4-52.3000114.4K223K223-D398 PolarHBondContact NZ-O 3.29Å
399P68.5Low88.9Confident63 Ų6349.3 Ų49.341%0.40927%0.267SS..SBendcis-81.7-9.8-2.232.3-35.8000114.3E397E397-P399 CarbonylContact O-C 3.59Å
400L78Confident88.9Confident87 Ų8748.9 Ų48.946%0.45527%0.265SS..SBendtrans-145.8146.6174.5-74164.9000107.8E397 S402 K405E397-L400 CarbonylContact O-C 2.86Å; E397-L400 VanDerWaalsContact O-CA 3.26Å; E397-L400 WeakPolarHBondContact O-CA 3.46Å; E397-L400 PolarHBondContact O-N 2.95Å; E397-L400 VanDerWaalsContact O-N 3.13Å; L400-S402 PolarHBondContact O-N 2.86Å; L400-K405 PolarHBondContact O-NZ 3.3Å
401P87.4Confident88.8Confident36 Ų3649.4 Ų49.423%0.23427%0.272CS..  trans-44.9130.3178.1-32.236.3000111.9N394 E397 T403 N404N394-P401 WeakPolarHBondContact OD1-CB 3.27Å; E397-P401 VanDerWaalsContact O-N 3.16Å; P401-T403 PolarHBondContact O-N 2.95Å; P401-N404 WeakPolarHBondContact O-CB 3.41Å; P401-N404 PolarHBondContact O-N 3.19Å; P401-N404 VanDerWaalsContact O-N 3.09Å
402S90.2Very high88.9Confident0 Ų048 Ų480%027%0.267CS..G310 helixtrans-63.5-30.1-17575.80000112.2N394 Y395 F396 L400 N404 K405 G406 I407N394-S402 WeakPolarHBondContact CA-OG 3.29Å; N394-S402 PolarHBondContact OD1-N 3.03Å; Y395-S402 PolarHBondContact N-OG 3.38Å; F396-S402 VanDerWaalsContact CE2-CB 3.41Å; F396-S402 VanDerWaalsContact CZ-CB 3.49Å; F396-S402 WeakPolarHBondContact O-CB 3.39Å; F396-S402 PolarHBondContact O-N 3.33Å; L400-S402 PolarHBondContact O-N 2.86Å; S402-N404 VanDerWaalsContact C-N 3.26Å; S402-N404 PolarHBondContact O-N 3.18Å; S402-K405 CarbonylContact O-C 3.54Å; S402-K405 WeakPolarHBondContact O-CA 3.36Å; S402-K405 WeakPolarHBondContact O-CB 3.48Å; S402-K405 PolarHBondContact O-N 2.91Å; S402-G406 PolarHBondContact O-N 3Å; S402-I407 CarbonylContact C-O 3.55Å; S402-I407 WeakPolarHBondContact CB-O 3.42Å; S402-I407 PolarHBondContact O-N 3.24Å; S402-I407 PolarHBondContact OG-O 3.02Å
403T89.6Confident88.8Confident41 Ų4148.4 Ų48.425%0.25227%0.269SS..G310 helixtrans-64-30.4176.5550000112.5N394 P401 K405 G406 I407 F408N394-T403 WeakPolarHBondContact OD1-CB 3.18Å; N394-T403 VanDerWaalsContact OD1-CG2 3.26Å; N394-T403 WeakPolarHBondContact OD1-CG2 3.16Å; N394-T403 PolarHBondContact OD1-N 3.11Å; N394-T403 VanDerWaalsContact OD1-N 3.16Å; N394-T403 PolarHBondContact OD1-OG1 3.44Å; P401-T403 PolarHBondContact O-N 2.95Å; T403-K405 PolarHBondContact O-N 3.43Å; T403-K405 VanDerWaalsContact O-N 3.16Å; T403-G406 PolarHBondContact O-N 3.35Å; T403-I407 PolarHBondContact N-O 3.46Å; T403-F408 HydrophobicContact CG2-CD1 3.59Å; T403-F408 HydrophobicContact CG2-CE1 3.92Å
404N85.4Confident88.8Confident99 Ų9945.7 Ų45.753%0.52926%0.258SS..G310 helixtrans-63.5-20.7172.6-65.9-0.2000112.4F237 P401 S402F237-N404 WeakPolarHBondContact CZ-O 3.42Å; P401-N404 WeakPolarHBondContact O-CB 3.41Å; P401-N404 PolarHBondContact O-N 3.19Å; P401-N404 VanDerWaalsContact O-N 3.09Å; S402-N404 VanDerWaalsContact C-N 3.26Å; S402-N404 PolarHBondContact O-N 3.18Å
405K84.9Confident88.7Confident6 Ų649 Ų493%0.02628%0.284CS..G310 helixtrans-100.87.9176.6-55.5173.7-176.1122.60112.3L231 F396 L400 S402 T403 I407L231-K405 HydrophobicContact CD2-CD 4.02Å; L231-K405 HydrophobicContact CD2-CG 4.24Å; F396-K405 HydrophobicContact CE2-CD 4.32Å; L400-K405 PolarHBondContact O-NZ 3.3Å; S402-K405 CarbonylContact O-C 3.54Å; S402-K405 WeakPolarHBondContact O-CA 3.36Å; S402-K405 WeakPolarHBondContact O-CB 3.48Å; S402-K405 PolarHBondContact O-N 2.91Å; T403-K405 PolarHBondContact O-N 3.43Å; T403-K405 VanDerWaalsContact O-N 3.16Å; K405-I407 VanDerWaalsContact C-N 3.26Å; K405-I407 PolarHBondContact O-N 2.71Å
406G87.9Confident88.7Confident18 Ų1855.1 Ų55.119%0.18631%0.313CS..THydrogen-bonded Turntrans72.212.5-174.400000114.7S402 T403 F408 P442S402-G406 PolarHBondContact O-N 3Å; T403-G406 PolarHBondContact O-N 3.35Å; G406-F408 WeakPolarHBondContact O-CD2 3.42Å; G406-F408 WeakPolarHBondContact O-CE2 3.4Å; G406-P442 WeakPolarHBondContact O-CD 3.42Å; G406-P442 WeakPolarHBondContact O-CG 3.4Å
407I93.5Very high89Confident10 Ų1057.3 Ų57.35%0.05133%0.33CS..  trans-96.4121177.3-62.7169.9000109.2Y230 F396 S402 T403 K405 V439 I440 V441Y230-I407 HydrophobicContact CE1-CD1 4.27Å; F396-I407 HydrophobicContact CE1-CD1 4.29Å; F396-I407 HydrophobicContact CE1-CG2 4.37Å; F396-I407 HydrophobicContact CZ-CD1 4.01Å; S402-I407 CarbonylContact C-O 3.55Å; S402-I407 WeakPolarHBondContact CB-O 3.42Å; S402-I407 PolarHBondContact O-N 3.24Å; S402-I407 PolarHBondContact OG-O 3.02Å; T403-I407 PolarHBondContact N-O 3.46Å; K405-I407 VanDerWaalsContact C-N 3.26Å; K405-I407 PolarHBondContact O-N 2.71Å; I407-V439 HydrophobicContact CG2-CG1 4.06Å; I407-I440 WeakPolarHBondContact CA-O 3.33Å; I407-V441 HydrophobicContact CD1-CG1 4.45Å; I407-V441 HydrophobicContact CG1-CG1 4.27Å; I407-V441 HydrophobicContact CG2-CG2 4.41Å
408F96.1Very high89.5Confident13 Ų1354.8 Ų54.86%0.05732%0.324CS..EExtended strand (participates in β ladder)trans-120.3142.1-171.7-53.2-86.4000111.9V367 P372 P392 T403 G406 V439 I440V367-F408 HydrophobicContact CG2-CD2 4.48Å; V367-F408 HydrophobicContact CG2-CE2 3.83Å; P372-F408 HydrophobicContact CB-CB 4.48Å; P372-F408 HydrophobicContact CB-CD2 3.88Å; P372-F408 HydrophobicContact CB-CE2 4.34Å; P372-F408 HydrophobicContact CB-CG 4.2Å; P372-F408 HydrophobicContact CG-CB 3.97Å; P372-F408 HydrophobicContact CG-CD1 4.06Å; P372-F408 HydrophobicContact CG-CD2 3.87Å; P372-F408 HydrophobicContact CG-CE2 4.36Å; P372-F408 HydrophobicContact CG-CG 3.7Å; P392-F408 HydrophobicContact CB-CB 4.35Å; P392-F408 HydrophobicContact CB-CD1 3.88Å; P392-F408 HydrophobicContact CB-CG 4.42Å; T403-F408 HydrophobicContact CG2-CD1 3.59Å; T403-F408 HydrophobicContact CG2-CE1 3.92Å; G406-F408 WeakPolarHBondContact O-CD2 3.42Å; G406-F408 WeakPolarHBondContact O-CE2 3.4Å; F408-V439 CarbonylContact O-C 3.58Å; F408-V439 WeakPolarHBondContact O-CA 3.39Å; F408-I440 HydrophobicContact CB-CB 4.28Å; F408-I440 PolarHBondContact N-O 3.43Å; F408-I440 PolarHBondContact O-N 3.22Å
409K96.4Very high90.4Very high59 Ų5954 Ų5426%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-95118.2161.5174.8-173.6168.3-148.10107.9Q393 Y395 H437 L438Q393-K409 HydrophobicContact CB-CB 4.3Å; Q393-K409 HydrophobicContact CB-CD 4.49Å; Q393-K409 PolarHBondContact N-O 2.93Å; Q393-K409 PolarHBondContact O-N 3.29Å; Q393-K409 VanDerWaalsContact OE1-NZ 3.11Å; Y395-K409 HydrophobicContact CD2-CB 4.4Å; K409-H437 HydrophobicContact CG-CB 4.18Å; K409-L438 WeakPolarHBondContact CA-O 3.42Å
410C96.1Very high91.7Very high0 Ų051.6 Ų51.60%030%0.296CS..EExtended strand (participates in β ladder)trans-126.8140.3-176.2-60.10000110.7F389 H437 L438 I440F389-C410 HydrophobicContact CB-CB 3.81Å; F389-C410 HydrophobicContact CD1-CB 3.59Å; F389-C410 HydrophobicContact CD2-CB 3.98Å; F389-C410 HydrophobicContact CE1-CB 4.11Å; F389-C410 HydrophobicContact CE2-CB 4.48Å; F389-C410 HydrophobicContact CG-CB 3.52Å; C410-H437 CarbonylContact O-C 3.57Å; C410-H437 WeakPolarHBondContact O-CA 3.39Å; C410-H437 WeakPolarHBondContact O-CB 3.46Å; C410-L438 PolarHBondContact N-O 3.48Å; C410-L438 PolarHBondContact O-N 3.09Å; C410-I440 HydrophobicContact CB-CG1 4.27Å
411S92.2Very high92.5Very high71 Ų7149.5 Ų49.550%0.49729%0.289SS..  trans-120.2-38.2-177.7-56.10000113.5
412V91.6Very high92.7Very high86 Ų8649.5 Ų49.552%0.52129%0.287SS..EExtended strand (participates in β ladder)trans-129.2133.4-171.2177.30000109.4F389 T390F389-V412 CarbonylContact C-O 3.37Å; F389-V412 WeakPolarHBondContact CA-O 3.29Å; F389-V412 WeakPolarHBondContact CD1-O 3.25Å; T390-V412 PolarHBondContact N-O 3.25Å; T390-V412 WeakPolarHBondContact OG1-CB 3.3Å; T390-V412 PolarHBondContact OG1-O 2.98Å; T390-V412 VanDerWaalsContact OG1-O 3.08Å
413V93.1Very high92.7Very high56 Ų5656.1 Ų56.134%0.33932%0.322SS..EExtended strand (participates in β ladder)trans-87.6133.1172.9-177.90000107.9L374 R387 F389L374-V413 HydrophobicContact CD1-CG1 4.25Å; L374-V413 HydrophobicContact CD1-CG2 3.71Å; L374-V413 HydrophobicContact CG-CG2 4.38Å; R387-V413 HydrophobicContact CB-CG1 3.82Å; F389-V413 HydrophobicContact CD1-CG2 3.71Å; F389-V413 HydrophobicContact CE1-CG2 3.36Å; F389-V413 HydrophobicContact CZ-CG2 4.13Å
414S93.8Very high93Very high18 Ų1857.1 Ų57.113%0.12633%0.326CS..  trans-63.5146.5176.9-170.60000111.6P388 E416P388-S414 VanDerWaalsContact O-CB 3.28Å; P388-S414 WeakPolarHBondContact O-CB 3.38Å; P388-S414 PolarHBondContact O-N 3.35Å; S414-E416 VanDerWaalsContact C-N 3.27Å; S414-E416 WeakPolarHBondContact OG-CB 3.49Å; S414-E416 PolarHBondContact OG-N 3.38Å; S414-E416 VanDerWaalsContact OG-N 3.12Å
415S92.2Very high93.5Very high112 Ų11252.5 Ų52.578%0.78330%0.301SS*.SBendtrans-70.1-29166.651.90000111.6
416E93Very high94Very high145 Ų14555.1 Ų55.168%0.67832%0.316SS*.  trans-65.9138.8176.2-61.3-178.317000110.7S414S414-E416 VanDerWaalsContact C-N 3.27Å; S414-E416 WeakPolarHBondContact OG-CB 3.49Å; S414-E416 PolarHBondContact OG-N 3.38Å; S414-E416 VanDerWaalsContact OG-N 3.12Å
417C94.8Very high94.4Very high59 Ų5954.7 Ų54.740%0.39931%0.31SS..  trans-132.7151.4173.465.20000110.7K385 F386 R387K385-C417 WeakPolarHBondContact CE-SG 3.35Å; K385-C417 HydrophobicContact CG-CB 4.17Å; F386-C417 VanDerWaalsContact O-CA 3.26Å; F386-C417 WeakPolarHBondContact O-CA 3.19Å; R387-C417 HydrophobicContact CG-CB 3.7Å
418S96.4Very high94.5Very high54 Ų5454.2 Ų54.238%0.37831%0.308SS..EExtended strand (participates in β ladder)trans-128.7155.7172.453.40000109.6F386F386-S418 PolarHBondContact N-O 3.5Å; F386-S418 PolarHBondContact O-N 2.85Å
419W96.5Very high94.6Very high102 Ų10253.6 Ų53.639%0.38631%0.305SS..EExtended strand (participates in β ladder)trans-92.2129.7167.3-69.9101.2000108.4D377 Q379 L383 L384 K385D377-W419 HydrophobicContact CB-CH2 4.18Å; Q379-W419 HydrophobicContact CB-CZ3 4.38Å; Q379-W419 HydrophobicContact CG-CE3 4.32Å; Q379-W419 HydrophobicContact CG-CH2 3.55Å; Q379-W419 HydrophobicContact CG-CZ2 4.31Å; Q379-W419 HydrophobicContact CG-CZ3 3.56Å; Q379-W419 VanDerWaalsContact NE2-CZ2 3.28Å; L383-W419 HydrophobicContact CB-CE3 3.89Å; L383-W419 HydrophobicContact CB-CZ3 4.49Å; L383-W419 WeakPolarHBondContact O-CZ3 3.37Å; L384-W419 WeakPolarHBondContact O-CA 3.42Å; K385-W419 HydrophobicContact CB-CD2 4.36Å; K385-W419 HydrophobicContact CB-CE3 3.97Å; K385-W419 HydrophobicContact CB-CH2 3.75Å; K385-W419 HydrophobicContact CB-CZ2 4.16Å; K385-W419 HydrophobicContact CB-CZ3 3.64Å; K385-W419 HydrophobicContact CD-CH2 4.25Å; K385-W419 HydrophobicContact CD-CZ2 4.08Å; K385-W419 HydrophobicContact CG-CH2 4.34Å; K385-W419 HydrophobicContact CG-CZ2 4.26Å
420V96.6Very high94.6Very high12 Ų1250.9 Ų50.97%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-129.3153.1-178.7-57.90000110.2V368 L384 F386 D424V368-V420 HydrophobicContact CG1-CB 4.42Å; V368-V420 HydrophobicContact CG1-CG1 4.12Å; V368-V420 HydrophobicContact CG1-CG2 4.44Å; V368-V420 HydrophobicContact CG2-CG2 4.33Å; L384-V420 HydrophobicContact CB-CG2 4.06Å; L384-V420 PolarHBondContact N-O 2.93Å; L384-V420 PolarHBondContact O-N 3.49Å; F386-V420 HydrophobicContact CB-CG1 4.18Å; F386-V420 HydrophobicContact CB-CG2 3.82Å; V420-D424 HydrophobicContact CB-CB 4.27Å
421S93.9Very high94.5Very high42 Ų4251.4 Ų51.429%0.29430%0.296SS..  trans-78.7155.7173.1178.80000110.4N423 D424S421-N423 PolarHBondContact O-N 3.12Å; S421-N423 VanDerWaalsContact O-N 3.15Å; S421-N423 PolarHBondContact OG-N 3.44Å; S421-D424 WeakPolarHBondContact CB-OD2 3.39Å; S421-D424 PolarHBondContact N-OD2 3.21Å; S421-D424 WeakPolarHBondContact O-CB 3.17Å; S421-D424 PolarHBondContact O-N 2.93Å
422N91.5Very high94.7Very high37 Ų3748 Ų4820%0.19827%0.273CS..G310 helixtrans-56.5-26.6169.4-160.234.4000112.2I350 M351 F352 D424 V425I350-N422 HydrophobicContact CD1-CB 4.23Å; M351-N422 PolarHBondContact O-ND2 3.5Å; F352-N422 VanDerWaalsContact CD2-OD1 3.27Å; F352-N422 WeakPolarHBondContact CD2-OD1 3.44Å; N422-D424 VanDerWaalsContact C-N 3.33Å; N422-V425 WeakPolarHBondContact O-CB 3.4Å; N422-V425 PolarHBondContact O-N 2.94Å
423N91.9Very high94.7Very high139 Ų13947.5 Ų47.574%0.74327%0.267SS*.G310 helixtrans-73.8-21.9177.5-68.4-18.8000113.7S421 V425S421-N423 PolarHBondContact O-N 3.12Å; S421-N423 VanDerWaalsContact O-N 3.15Å; S421-N423 PolarHBondContact OG-N 3.44Å; N423-V425 PolarHBondContact O-N 3.04Å
424D95Very high94.5Very high62 Ų6246.8 Ų46.833%0.33226%0.264SS..G310 helixtrans-80.8-9.2177.9-55.1-44.3000112V368 V420 S421 N422 D426V368-D424 HydrophobicContact CG1-CB 4.17Å; V420-D424 HydrophobicContact CB-CB 4.27Å; S421-D424 WeakPolarHBondContact CB-OD2 3.39Å; S421-D424 PolarHBondContact N-OD2 3.21Å; S421-D424 WeakPolarHBondContact O-CB 3.17Å; S421-D424 PolarHBondContact O-N 2.93Å; N422-D424 VanDerWaalsContact C-N 3.33Å; D424-D426 PolarHBondContact O-N 3.5Å
425V95.9Very high94Very high1 Ų152.3 Ų52.31%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-79.3115.5-179.5-177.10000109.6F352 R353 I357 V366 V368 L384 N422 N423F352-V425 HydrophobicContact CD2-CB 4.32Å; F352-V425 HydrophobicContact CD2-CG1 4.38Å; F352-V425 HydrophobicContact CE1-CG1 4.08Å; F352-V425 HydrophobicContact CE2-CB 3.65Å; F352-V425 HydrophobicContact CE2-CG1 3.74Å; F352-V425 HydrophobicContact CZ-CB 3.95Å; F352-V425 HydrophobicContact CZ-CG1 3.56Å; F352-V425 WeakPolarHBondContact CZ-O 3.37Å; R353-V425 PolarHBondContact NH2-O 3.39Å; I357-V425 HydrophobicContact CD1-CG1 4.12Å; V366-V425 HydrophobicContact CB-CG1 4.03Å; V366-V425 HydrophobicContact CG1-CG1 4.12Å; V368-V425 HydrophobicContact CG2-CG2 4.19Å; L384-V425 HydrophobicContact CD1-CG2 3.86Å; N422-V425 WeakPolarHBondContact O-CB 3.4Å; N422-V425 PolarHBondContact O-N 2.94Å; N423-V425 PolarHBondContact O-N 3.04Å
426D95.1Very high93.8Very high62 Ų6253.5 Ų53.533%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-71.4-46178.6-65.1-38000110.8R353 V367 N369 R370 D424R353-D426 PolarHBondContact NH1-O 3.34Å; V367-D426 HydrophobicContact CB-CB 4.23Å; V367-D426 HydrophobicContact CG1-CB 4.12Å; V367-D426 WeakPolarHBondContact CG1-OD2 3.17Å; V367-D426 PolarHBondContact O-N 3.37Å; N369-D426 PolarHBondContact N-OD2 3.37Å; N369-D426 VanDerWaalsContact N-OD2 3.09Å; R370-D426 PolarHBondContact N-OD2 3.38Å; D424-D426 PolarHBondContact O-N 3.5Å
427C96Very high93.8Very high9 Ų948.8 Ų48.86%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-166.4162177.958.80000112.3V366 V367 V447V366-C427 WeakPolarHBondContact CA-O 3.32Å; V367-C427 PolarHBondContact N-O 3.41Å; C427-V447 HydrophobicContact CB-CB 4.49Å; C427-V447 HydrophobicContact CB-CG2 3.74Å
428K96.7Very high93.8Very high0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-88.2151.3167.1-173.3-179.3173.8-170.30109.7D179 F352 S355 Q356 I357 D363 L443 T446D179-K428 WeakPolarHBondContact OD2-CE 3.45Å; D179-K428 IonicContact OD2-NZ 2.77Å; D179-K428 PolarHBondContact OD2-NZ 3Å; F352-K428 HydrophobicContact CD1-CB 4.5Å; S355-K428 WeakPolarHBondContact OG-CD 3.44Å; S355-K428 PolarHBondContact OG-NZ 3.24Å; Q356-K428 VanDerWaalsContact O-CE 3.27Å; Q356-K428 WeakPolarHBondContact O-CE 3.45Å; Q356-K428 PolarHBondContact O-NZ 3.32Å; I357-K428 HydrophobicContact CG1-CD 4.33Å; D363-K428 WeakPolarHBondContact OD1-CE 3.37Å; D363-K428 IonicContact OD1-NZ 3.2Å; D363-K428 PolarHBondContact OD1-NZ 3.36Å; K428-L443 HydrophobicContact CB-CD1 4.23Å; K428-L443 HydrophobicContact CD-CD1 3.96Å; K428-L443 HydrophobicContact CG-CD1 3.96Å; K428-L443 WeakPolarHBondContact O-CB 3.5Å; K428-L443 WeakPolarHBondContact O-CG 3.47Å; K428-L443 PolarHBondContact O-N 3.38Å; K428-T446 HydrophobicContact CB-CG2 4.03Å; K428-T446 PolarHBondContact N-OG1 3.01Å; K428-T446 PolarHBondContact O-OG1 3.06Å
429C97.1Very high93.8Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-128.8154.9-174.7-65.40000113.5V365 I440 V441V365-C429 HydrophobicContact CB-CB 4.32Å; V365-C429 HydrophobicContact CG1-CB 3.89Å; V365-C429 PolarHBondContact O-N 3.41Å; C429-I440 HydrophobicContact CB-CG2 3.45Å; C429-I440 VanDerWaalsContact CB-CG2 3.45Å; C429-V441 CarbonylContact C-O 3.52Å; C429-V441 VanDerWaalsContact CA-O 3.31Å; C429-V441 WeakPolarHBondContact CA-O 3.27Å
430M96.2Very high93.8Very high1 Ų139.9 Ų39.91%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-89.5131.8159.7-178169.2-176.200109P177 L200 Y204 I432 I440 V441 L443P177-M430 HydrophobicContact CG-CB 4.15Å; P177-M430 HydrophobicContact CG-CG 4.49Å; L200-M430 HydrophobicContact CD1-CE 4.44Å; L200-M430 HydrophobicContact CD1-SD 4Å; Y204-M430 HydrophobicContact CG-SD 4.47Å; M430-I432 HydrophobicContact CE-CG1 4.06Å; M430-I432 HydrophobicContact CG-CG1 4.12Å; M430-I432 HydrophobicContact SD-CG1 4.43Å; M430-I440 WeakPolarHBondContact O-CA 3.28Å; M430-V441 PolarHBondContact N-O 3.43Å; M430-V441 PolarHBondContact O-N 3.34Å; M430-L443 HydrophobicContact CB-CD2 3.98Å
431S95.8Very high93.8Very high11 Ų1139.4 Ų39.48%0.07722%0.221CC..EExtended strand (participates in β ladder)trans-109.6105177.11670000110.9S175S175-S431 VanDerWaalsContact CB-O 3.23Å; S175-S431 WeakPolarHBondContact CB-O 3.28Å; S175-S431 PolarHBondContact OG-O 2.91Å
432I95.3Very high93.9Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-91119.3-178.2-61.1161.7000109.8Y204 V208 I209 M430 C434 L438 V439 V441Y204-I432 VanDerWaalsContact O-CD1 3.31Å; Y204-I432 WeakPolarHBondContact O-CD1 3.05Å; V208-I432 HydrophobicContact CB-CD1 3.98Å; V208-I432 HydrophobicContact CB-CG2 4.27Å; V208-I432 HydrophobicContact CG1-CB 4.18Å; V208-I432 HydrophobicContact CG1-CD1 4.41Å; V208-I432 HydrophobicContact CG1-CG2 3.69Å; V208-I432 HydrophobicContact CG2-CD1 3.74Å; I209-I432 HydrophobicContact CG2-CG2 4.15Å; M430-I432 HydrophobicContact CE-CG1 4.06Å; M430-I432 HydrophobicContact CG-CG1 4.12Å; M430-I432 HydrophobicContact SD-CG1 4.43Å; I432-C434 PolarHBondContact O-N 3.4Å; I432-L438 WeakPolarHBondContact O-CA 3.33Å; I432-V439 PolarHBondContact N-O 3.05Å; I432-V439 PolarHBondContact O-N 2.69Å; I432-V441 HydrophobicContact CD1-CG2 4.28Å
433N91.6Very high94.1Very high76 Ų7635.8 Ų35.841%0.40620%0.199SC..EExtended strand (participates in β ladder)trans-72.6116.2177.2-66.6-71.6000111.2S175 L438S175-N433 PolarHBondContact OG-ND2 2.93Å; S175-N433 VanDerWaalsContact OG-ND2 3.1Å; N433-L438 HydrophobicContact CB-CD2 4.29Å; N433-L438 WeakPolarHBondContact OD1-CD2 3.48Å
434C89.1Confident94.2Very high41 Ų4129.4 Ų29.428%0.27716%0.164SC..PPolyproline II helixtrans-100.8172.1163.8-60.20000109.5I432 N436 H437I432-C434 PolarHBondContact O-N 3.4Å; C434-N436 VanDerWaalsContact C-N 3.31Å; C434-N436 PolarHBondContact O-N 3.4Å; C434-H437 CarbonylContact C-O 3.49Å; C434-H437 VanDerWaalsContact CA-O 3.29Å; C434-H437 WeakPolarHBondContact CA-O 3.38Å; C434-H437 VanDerWaalsContact CB-O 3.23Å; C434-H437 WeakPolarHBondContact CB-O 3.4Å; C434-H437 PolarHBondContact N-O 3.04Å
435V84.2Confident94.1Very high133 Ų13330.2 Ų30.281%0.80617%0.166SC*.SBendtrans-56.9-41.9-172.3-177.10000112.8
436N86.9Confident94.1Very high138 Ų13830.1 Ų30.174%0.73817%0.166SC*.SBendtrans-124.44.7-173.7-64.3-22.8000113.9C434C434-N436 VanDerWaalsContact C-N 3.31Å; C434-N436 PolarHBondContact O-N 3.4Å
437H93.1Very high94Very high45 Ų4528.3 Ų28.321%0.20816%0.157CC..  trans-160.4166.9-176.960.3-86.2000110.3Y395 K409 C410 C434Y395-H437 AromaticContact CE2-NE2 3.75Å; K409-H437 HydrophobicContact CG-CB 4.18Å; C410-H437 CarbonylContact O-C 3.57Å; C410-H437 WeakPolarHBondContact O-CA 3.39Å; C410-H437 WeakPolarHBondContact O-CB 3.46Å; C434-H437 CarbonylContact C-O 3.49Å; C434-H437 VanDerWaalsContact CA-O 3.29Å; C434-H437 WeakPolarHBondContact CA-O 3.38Å; C434-H437 VanDerWaalsContact CB-O 3.23Å; C434-H437 WeakPolarHBondContact CB-O 3.4Å; C434-H437 PolarHBondContact N-O 3.04Å
438L94.7Very high93.2Very high28 Ų2835.1 Ų35.115%0.14719%0.19CC..EExtended strand (participates in β ladder)trans-101.8145.6168.6-55.3179.4000109.2F389 K409 C410 I432 N433 I440F389-L438 HydrophobicContact CE1-CD1 3.71Å; F389-L438 HydrophobicContact CZ-CD1 3.71Å; K409-L438 WeakPolarHBondContact CA-O 3.42Å; C410-L438 PolarHBondContact N-O 3.48Å; C410-L438 PolarHBondContact O-N 3.09Å; I432-L438 WeakPolarHBondContact O-CA 3.33Å; N433-L438 HydrophobicContact CB-CD2 4.29Å; N433-L438 WeakPolarHBondContact OD1-CD2 3.48Å; L438-I440 HydrophobicContact CB-CD1 3.93Å
439V96.1Very high93Very high0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-109.5117.8164.8-174.20000108.2V208 Y395 I407 F408 I432 V441V208-V439 HydrophobicContact CG1-CB 3.91Å; V208-V439 HydrophobicContact CG1-CG1 4.43Å; V208-V439 HydrophobicContact CG1-CG2 3.69Å; V208-V439 HydrophobicContact CG2-CB 4.03Å; V208-V439 HydrophobicContact CG2-CG1 3.68Å; V208-V439 HydrophobicContact CG2-CG2 4.44Å; Y395-V439 HydrophobicContact CD1-CG1 4.04Å; Y395-V439 HydrophobicContact CD1-CG2 4.49Å; Y395-V439 HydrophobicContact CD2-CB 4.49Å; Y395-V439 HydrophobicContact CD2-CG1 4.21Å; Y395-V439 HydrophobicContact CD2-CG2 3.44Å; Y395-V439 VanDerWaalsContact CD2-CG2 3.44Å; Y395-V439 HydrophobicContact CE1-CG1 4.46Å; Y395-V439 HydrophobicContact CE1-CG2 4.48Å; Y395-V439 HydrophobicContact CE2-CG2 3.38Å; Y395-V439 HydrophobicContact CG-CG1 3.93Å; Y395-V439 HydrophobicContact CG-CG2 4.03Å; I407-V439 HydrophobicContact CG2-CG1 4.06Å; F408-V439 CarbonylContact O-C 3.58Å; F408-V439 WeakPolarHBondContact O-CA 3.39Å; I432-V439 PolarHBondContact N-O 3.05Å; I432-V439 PolarHBondContact O-N 2.69Å; V439-V441 HydrophobicContact CG1-CG2 4.12Å
440I96.9Very high92.8Very high0 Ų038.8 Ų38.80%021%0.21CC..EExtended strand (participates in β ladder)trans-96.9121.2-178.7-48.7-54.2000107.7V365 P372 F389 I407 F408 C410 C429 M430 L438V365-I440 HydrophobicContact CG1-CD1 3.99Å; V365-I440 HydrophobicContact CG1-CG2 3.91Å; P372-I440 HydrophobicContact CB-CG1 4.42Å; P372-I440 HydrophobicContact CB-CG2 4.27Å; F389-I440 HydrophobicContact CE2-CD1 4.02Å; F389-I440 HydrophobicContact CE2-CG1 4.27Å; F389-I440 HydrophobicContact CZ-CD1 4.24Å; I407-I440 WeakPolarHBondContact CA-O 3.33Å; F408-I440 HydrophobicContact CB-CB 4.28Å; F408-I440 PolarHBondContact N-O 3.43Å; F408-I440 PolarHBondContact O-N 3.22Å; C410-I440 HydrophobicContact CB-CG1 4.27Å; C429-I440 HydrophobicContact CB-CG2 3.45Å; C429-I440 VanDerWaalsContact CB-CG2 3.45Å; M430-I440 WeakPolarHBondContact O-CA 3.28Å; L438-I440 HydrophobicContact CB-CD1 3.93Å
441V96.2Very high92.6Very high3 Ų340.9 Ų40.92%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-122.2119.6-178.3-172.90000109.4Y204 V208 Y230 I407 C429 M430 I432 V439 L443Y204-V441 HydrophobicContact CD1-CB 4.24Å; Y204-V441 HydrophobicContact CD1-CG1 3.62Å; Y204-V441 HydrophobicContact CE1-CG1 4.18Å; V208-V441 HydrophobicContact CG2-CG2 4.49Å; Y230-V441 HydrophobicContact CE2-CG1 3.96Å; I407-V441 HydrophobicContact CD1-CG1 4.45Å; I407-V441 HydrophobicContact CG1-CG1 4.27Å; I407-V441 HydrophobicContact CG2-CG2 4.41Å; C429-V441 CarbonylContact C-O 3.52Å; C429-V441 VanDerWaalsContact CA-O 3.31Å; C429-V441 WeakPolarHBondContact CA-O 3.27Å; M430-V441 PolarHBondContact N-O 3.43Å; M430-V441 PolarHBondContact O-N 3.34Å; I432-V441 HydrophobicContact CD1-CG2 4.28Å; V439-V441 HydrophobicContact CG1-CG2 4.12Å; V441-L443 PolarHBondContact O-N 3.14Å
442P96.1Very high92.4Very high3 Ų342.7 Ų42.72%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-60.6133.7177.6-26.335.6000112.1Y204 Y230 G406 L444 V447Y204-P442 WeakPolarHBondContact CE1-O 3.3Å; Y230-P442 WeakPolarHBondContact OH-CD 3.45Å; Y230-P442 PolarHBondContact OH-O 3.46Å; G406-P442 WeakPolarHBondContact O-CD 3.42Å; G406-P442 WeakPolarHBondContact O-CG 3.4Å; P442-L444 PolarHBondContact O-N 3.11Å; P442-V447 HydrophobicContact CB-CG2 4.09Å
443L96.1Very high92.2Very high0 Ų045.4 Ų45.40%024%0.244CC..  trans-74.7112171-58.3-173.4000108.6P177 D179 F180 Y204 K428 M430 V441 H445 T446 V447P177-L443 HydrophobicContact CB-CD1 4.07Å; P177-L443 HydrophobicContact CG-CD1 4.05Å; P177-L443 HydrophobicContact CG-CD2 4.32Å; D179-L443 HydrophobicContact CB-CD1 4.31Å; F180-L443 HydrophobicContact CE2-CD2 3.6Å; F180-L443 HydrophobicContact CZ-CD2 3.8Å; Y204-L443 HydrophobicContact CD1-CD2 4.33Å; Y204-L443 HydrophobicContact CE1-CD2 3.89Å; K428-L443 HydrophobicContact CB-CD1 4.23Å; K428-L443 HydrophobicContact CD-CD1 3.96Å; K428-L443 HydrophobicContact CG-CD1 3.96Å; K428-L443 WeakPolarHBondContact O-CB 3.5Å; K428-L443 WeakPolarHBondContact O-CG 3.47Å; K428-L443 PolarHBondContact O-N 3.38Å; M430-L443 HydrophobicContact CB-CD2 3.98Å; V441-L443 PolarHBondContact O-N 3.14Å; L443-H445 PolarHBondContact O-N 3.28Å; L443-H445 VanDerWaalsContact O-N 3.15Å; L443-T446 HydrophobicContact CB-CG2 3.95Å; L443-T446 HydrophobicContact CD1-CG2 4.43Å; L443-T446 PolarHBondContact O-N 3.28Å; L443-T446 PolarHBondContact O-OG1 3.34Å; L443-V447 PolarHBondContact O-N 2.68Å
444L95Very high92.2Very high4 Ų443.3 Ų43.32%0.02123%0.233CC..G310 helixtrans-54.8-37.9-171.3-67177.1000113.3L203 Y204 Y230 A233 H234 P442 T446 V447L203-L444 HydrophobicContact CD1-CD1 4.09Å; Y204-L444 PolarHBondContact OH-N 3.3Å; Y204-L444 VanDerWaalsContact OH-N 3.14Å; Y230-L444 HydrophobicContact CD1-CD2 4.41Å; Y230-L444 HydrophobicContact CD2-CD1 4.14Å; Y230-L444 HydrophobicContact CD2-CD2 4.24Å; Y230-L444 HydrophobicContact CD2-CG 4.35Å; Y230-L444 HydrophobicContact CE1-CD2 3.9Å; Y230-L444 HydrophobicContact CE2-CD1 4.2Å; Y230-L444 HydrophobicContact CE2-CD2 3.7Å; Y230-L444 HydrophobicContact CE2-CG 3.9Å; Y230-L444 VanDerWaalsContact CZ-CD2 3.49Å; A233-L444 HydrophobicContact CB-CD1 3.56Å; H234-L444 HydrophobicContact CB-CD2 4.12Å; P442-L444 PolarHBondContact O-N 3.11Å; L444-T446 PolarHBondContact O-N 2.9Å; L444-V447 PolarHBondContact O-N 3.48Å
445H93Very high92.5Very high79 Ų7943.5 Ų43.537%0.36623%0.23SC..G310 helixtrans-73.8-3.5179.463.5-85.1000114.2D179 L443D179-H445 IonicContact OD1-CD2 2.65Å; D179-H445 IonicContact OD1-CE1 3.7Å; D179-H445 IonicContact OD1-NE2 2.96Å; D179-H445 PolarHBondContact OD1-NE2 3.39Å; L443-H445 PolarHBondContact O-N 3.28Å; L443-H445 VanDerWaalsContact O-N 3.15Å
446T94.8Very high93.1Very high0 Ų036.6 Ų36.60%019%0.185CC..G310 helixtrans-110.1-5.5176.374.10000112.9R353 K428 L443 L444R353-T446 WeakPolarHBondContact CD-O 3.26Å; R353-T446 PolarHBondContact NH1-O 2.93Å; K428-T446 HydrophobicContact CB-CG2 4.03Å; K428-T446 PolarHBondContact N-OG1 3.01Å; K428-T446 PolarHBondContact O-OG1 3.06Å; L443-T446 HydrophobicContact CB-CG2 3.95Å; L443-T446 HydrophobicContact CD1-CG2 4.43Å; L443-T446 PolarHBondContact O-N 3.28Å; L443-T446 PolarHBondContact O-OG1 3.34Å; L444-T446 PolarHBondContact O-N 2.9Å
447V92.4Very high93.6Very high23 Ų2328.2 Ų28.214%0.13914%0.139CC..  trans-80.4129.5175.4-178.40000108.3P235 Q236 C427 P442 L443 L444P235-V447 HydrophobicContact CG-CB 3.81Å; P235-V447 HydrophobicContact CG-CG1 3.94Å; P235-V447 WeakPolarHBondContact CG-O 3.45Å; Q236-V447 HydrophobicContact CG-CG1 4.37Å; C427-V447 HydrophobicContact CB-CB 4.49Å; C427-V447 HydrophobicContact CB-CG2 3.74Å; P442-V447 HydrophobicContact CB-CG2 4.09Å; L443-V447 PolarHBondContact O-N 2.68Å; L444-V447 PolarHBondContact O-N 3.48Å
448M79Confident93.7Very high153 Ų15326.6 Ų26.675%0.75413%0.133SC*.  trans-86.10169.1-94.8179.3-3.300110.4Q236 R353Q236-M448 WeakPolarHBondContact CG-O 3.18Å; Q236-M448 PolarHBondContact NE2-O 2.86Å; R353-M448 PolarHBondContact NE-SD 2.94Å; R353-M448 PolarHBondContact NH2-SD 3.29Å

Retrieved 448 of 448 residues in 798.8 ms (Link to these results)

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