A0A077ZIR3_TRITR Loading...

Lipopolysaccharide export system permease protein LptF

AlphaFold DB , UniProt , Accession A0A077ZIR3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 308 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
1M56.2Low84Confident203 Ų20360.5 Ų60.5100%133%0.33SS*.  0-49.50-70.4-63.6-150.500113.9Q3 L4M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.33Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 2.92Å
2A70.9Confident84.8Confident46 Ų4659.8 Ų59.838%0.3833%0.326SS..Hα-helixtrans-59-30.3-173.200000115.5L4 I5 L6A2-L4 PolarHBondContact O-N 3.05Å; A2-I5 PolarHBondContact O-N 2.75Å; A2-L6 PolarHBondContact O-N 3.41Å
3Q77.1Confident85.5Confident47 Ų4757.7 Ų57.722%0.2233%0.326CS..Hα-helixtrans-55.2-35-178.3-69.7178.2-0.400114.2M1 P7 V59 L214M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.33Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; Q3-P7 WeakPolarHBondContact O-CD 3.42Å; Q3-V59 HydrophobicContact CG-CG2 4.22Å; Q3-L214 HydrophobicContact CB-CD1 3.92Å; Q3-L214 HydrophobicContact CG-CD1 4.31Å
4L79.7Confident86.1Confident81 Ų8154.6 Ų54.642%0.42431%0.309SS..Hα-helixtrans-84.7-26.1180-62.1175.6000112.4M1 A2 W210 Y248 F252M1-L4 PolarHBondContact O-N 2.92Å; A2-L4 PolarHBondContact O-N 3.05Å; L4-W210 HydrophobicContact CD2-CH2 4.35Å; L4-W210 HydrophobicContact CD2-CZ2 4.05Å; L4-Y248 PolarHBondContact O-OH 2.84Å; L4-F252 HydrophobicContact CD2-CD1 3.62Å; L4-F252 HydrophobicContact CD2-CE1 3.45Å; L4-F252 VanDerWaalsContact CD2-CE1 3.45Å
5I88.9Confident86.5Confident99 Ų9951.1 Ų51.151%0.50829%0.289SS..Hα-helixtrans-82.4-34.8-171.1-59.6173.5000111A2 L8 S9A2-I5 PolarHBondContact O-N 2.75Å; I5-L8 CarbonylContact O-C 3.55Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 PolarHBondContact O-N 3.02Å; I5-S9 WeakPolarHBondContact O-CB 3.12Å; I5-S9 PolarHBondContact O-N 3.09Å; I5-S9 PolarHBondContact O-OG 2.91Å
6L88.6Confident86.8Confident40 Ų4055.1 Ų55.121%0.20931%0.306CS..Hα-helixtrans-61.1-49.2-176.9-72.6172000113.9A2 L8 S9 L10 V54 A55 N58A2-L6 PolarHBondContact O-N 3.41Å; L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 PolarHBondContact O-N 2.82Å; L6-S9 PolarHBondContact O-N 3.09Å; L6-S9 PolarHBondContact O-OG 2.83Å; L6-L10 PolarHBondContact O-N 2.91Å; L6-V54 HydrophobicContact CD1-CG1 4.13Å; L6-V54 HydrophobicContact CD2-CG1 4.3Å; L6-A55 HydrophobicContact CD1-CB 4.1Å; L6-N58 HydrophobicContact CD1-CB 4.46Å
7P89.7Confident87.2Confident2 Ų256.6 Ų56.61%0.01332%0.317CS..Hα-helixtrans-66.1-34.7175.2-17.731.8000111.6Q3 F11 T217 V218 Y248 F252Q3-P7 WeakPolarHBondContact O-CD 3.42Å; P7-F11 WeakPolarHBondContact O-CB 3.48Å; P7-F11 PolarHBondContact O-N 3.25Å; P7-T217 HydrophobicContact CB-CG2 4.34Å; P7-V218 HydrophobicContact CB-CG2 4.19Å; P7-V218 HydrophobicContact CG-CG2 3.97Å; P7-Y248 HydrophobicContact CB-CE2 4.45Å; P7-F252 HydrophobicContact CB-CZ 4.47Å; P7-F252 HydrophobicContact CG-CZ 4.43Å
8L92.3Very high87.5Confident61 Ų6154.4 Ų54.432%0.31931%0.305SS..Hα-helixtrans-65.9-42.7178.9-176.761.2000111.7I5 L6 F11 L12 Y248I5-L8 CarbonylContact O-C 3.55Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 PolarHBondContact O-N 3.02Å; L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 PolarHBondContact O-N 2.82Å; L8-F11 PolarHBondContact O-N 2.77Å; L8-L12 HydrophobicContact CD1-CD1 3.8Å; L8-L12 HydrophobicContact CD1-CG 3.88Å; L8-L12 HydrophobicContact CG-CD1 3.89Å; L8-L12 HydrophobicContact CG-CG 4.29Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 2.82Å; L8-Y248 WeakPolarHBondContact CA-OH 3.24Å; L8-Y248 HydrophobicContact CB-CE1 4.23Å; L8-Y248 VanDerWaalsContact CB-OH 3.31Å; L8-Y248 WeakPolarHBondContact CB-OH 3.46Å; L8-Y248 HydrophobicContact CD1-CD1 3.98Å; L8-Y248 HydrophobicContact CD1-CE1 3.58Å; L8-Y248 HydrophobicContact CD1-CE2 4.45Å; L8-Y248 HydrophobicContact CG-CE1 4.4Å; L8-Y248 PolarHBondContact N-OH 3.44Å; L8-Y248 VanDerWaalsContact N-OH 3.09Å
9S93.6Very high87.6Confident64 Ų6451.6 Ų51.645%0.44829%0.288SS..Hα-helixtrans-66-42.2-179.260.50000111.4I5 L6 G13I5-S9 WeakPolarHBondContact O-CB 3.12Å; I5-S9 PolarHBondContact O-N 3.09Å; I5-S9 PolarHBondContact O-OG 2.91Å; L6-S9 PolarHBondContact O-N 3.09Å; L6-S9 PolarHBondContact O-OG 2.83Å; S9-G13 WeakPolarHBondContact O-CA 3.32Å; S9-G13 PolarHBondContact O-N 2.95Å
10L93.6Very high87.7Confident19 Ų1954 Ų5410%0.09930%0.296CS..Hα-helixtrans-64.1-46.5173.7177.969.2000110.8L6 G13 L14 L47 A48 T51 V218 A222L6-L10 PolarHBondContact O-N 2.91Å; L10-G13 PolarHBondContact O-N 3.5Å; L10-L14 HydrophobicContact CD1-CD1 3.95Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CG-CD1 3.95Å; L10-L14 HydrophobicContact CG-CG 4.44Å; L10-L14 WeakPolarHBondContact O-CB 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 2.7Å; L10-L47 HydrophobicContact CD1-CB 3.93Å; L10-A48 HydrophobicContact CD2-CB 4.12Å; L10-T51 HydrophobicContact CB-CG2 4.1Å; L10-T51 HydrophobicContact CD2-CG2 4.27Å; L10-V218 HydrophobicContact CD2-CG1 3.56Å; L10-A222 HydrophobicContact CD2-CB 4.12Å
11F93.8Very high87.9Confident3 Ų353.3 Ų53.31%0.01329%0.291CS..Hα-helixtrans-59.4-52.7-179.3177-101.9000112P7 L8 L15 M221 V225 A244 Y248P7-F11 WeakPolarHBondContact O-CB 3.48Å; P7-F11 PolarHBondContact O-N 3.25Å; L8-F11 PolarHBondContact O-N 2.77Å; F11-L15 HydrophobicContact CE1-CD2 4.25Å; F11-L15 VanDerWaalsContact O-CB 3.22Å; F11-L15 WeakPolarHBondContact O-CB 3.39Å; F11-L15 PolarHBondContact O-N 3.44Å; F11-M221 HydrophobicContact CD2-CB 4.02Å; F11-V225 HydrophobicContact CD2-CB 3.93Å; F11-V225 HydrophobicContact CD2-CG2 4Å; F11-V225 HydrophobicContact CE2-CB 3.89Å; F11-V225 HydrophobicContact CE2-CG2 3.88Å; F11-A244 HydrophobicContact CZ-CB 3.71Å; F11-A244 WeakPolarHBondContact CZ-O 3.3Å; F11-Y248 HydrophobicContact CB-CD2 4.26Å; F11-Y248 HydrophobicContact CB-CE2 4.22Å; F11-Y248 AromaticContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CG 4.19Å; F11-Y248 HydrophobicContact CD2-CD2 4.26Å; F11-Y248 HydrophobicContact CE1-CD2 4.3Å; F11-Y248 HydrophobicContact CE1-CG 4.26Å; F11-Y248 AromaticContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CE2 4.34Å
12L93Very high89.5Confident53 Ų5344.6 Ų44.628%0.27725%0.248SC..Hα-helixtrans-66.6-39.2177.8-69.5178.7000111.9L8 L15 M16 M245L8-L12 HydrophobicContact CD1-CD1 3.8Å; L8-L12 HydrophobicContact CD1-CG 3.88Å; L8-L12 HydrophobicContact CG-CD1 3.89Å; L8-L12 HydrophobicContact CG-CG 4.29Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 2.82Å; L12-L15 PolarHBondContact O-N 3.32Å; L12-M16 WeakPolarHBondContact O-CB 3.5Å; L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.47Å; L12-M16 PolarHBondContact O-N 3.42Å; L12-M245 HydrophobicContact CD2-CG 4.44Å; L12-M245 HydrophobicContact CD2-SD 4.49Å
13G94.1Very high90.3Very high32 Ų3244.7 Ų44.733%0.3324%0.243SC..Hα-helixtrans-60.9-46.917700000112.3S9 L10 T17S9-G13 WeakPolarHBondContact O-CA 3.32Å; S9-G13 PolarHBondContact O-N 2.95Å; L10-G13 PolarHBondContact O-N 3.5Å; G13-T17 VanDerWaalsContact O-CB 3.25Å; G13-T17 WeakPolarHBondContact O-CB 3.47Å; G13-T17 PolarHBondContact O-N 2.92Å; G13-T17 PolarHBondContact O-OG1 3Å
14L93.9Very high90.9Very high15 Ų1547.1 Ų47.18%0.07926%0.255CS..Hα-helixtrans-63.5-45173.8-75.9173.4000111.2L10 M16 T17 L18 A44 L47 A222 V225L10-L14 HydrophobicContact CD1-CD1 3.95Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CG-CD1 3.95Å; L10-L14 HydrophobicContact CG-CG 4.44Å; L10-L14 WeakPolarHBondContact O-CB 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 2.7Å; L14-M16 PolarHBondContact O-N 2.85Å; L14-T17 PolarHBondContact O-N 2.95Å; L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 2.96Å; L14-L18 PolarHBondContact O-N 2.77Å; L14-A44 HydrophobicContact CD1-CB 4.07Å; L14-A44 HydrophobicContact CD2-CB 4.22Å; L14-L47 HydrophobicContact CD2-CD1 3.94Å; L14-A222 HydrophobicContact CD1-CB 4.01Å; L14-V225 HydrophobicContact CB-CG1 3.66Å; L14-V225 HydrophobicContact CB-CG2 4.33Å; L14-V225 HydrophobicContact CD1-CG1 3.69Å; L14-V225 HydrophobicContact CG-CG1 4.31Å
15L92.5Very high91.4Very high2 Ų246.1 Ų46.11%0.0126%0.255CS..Hα-helixtrans-61.1-46.2-179.1-169.764.9000111.5F11 L12 G19 V225 M241 A244 M245F11-L15 HydrophobicContact CE1-CD2 4.25Å; F11-L15 VanDerWaalsContact O-CB 3.22Å; F11-L15 WeakPolarHBondContact O-CB 3.39Å; F11-L15 PolarHBondContact O-N 3.44Å; L12-L15 PolarHBondContact O-N 3.32Å; L15-G19 WeakPolarHBondContact O-CA 3.05Å; L15-G19 PolarHBondContact O-N 2.88Å; L15-V225 HydrophobicContact CB-CG2 3.69Å; L15-V225 HydrophobicContact CD1-CG2 3.71Å; L15-V225 HydrophobicContact CG-CG2 4.26Å; L15-M241 HydrophobicContact CD1-CG 4.09Å; L15-M241 HydrophobicContact CD2-CB 3.7Å; L15-M241 HydrophobicContact CD2-CG 3.72Å; L15-M241 HydrophobicContact CD2-SD 4.11Å; L15-M241 HydrophobicContact CG-CB 4.23Å; L15-M241 HydrophobicContact CG-CE 4.25Å; L15-M241 HydrophobicContact CG-CG 3.68Å; L15-M241 HydrophobicContact CG-SD 3.97Å; L15-M241 WeakPolarHBondContact O-CE 3.16Å; L15-A244 HydrophobicContact CD1-CB 4.12Å; L15-A244 HydrophobicContact CD2-CB 4.22Å; L15-M245 HydrophobicContact CD2-CG 4.39Å
16M91Very high91.6Very high115 Ų11546.2 Ų46.257%0.56725%0.253SS*.Hα-helixtrans-67.8-43.7178-71.4-172.7-178.500112.4L12 L14 K20L12-M16 WeakPolarHBondContact O-CB 3.5Å; L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.47Å; L12-M16 PolarHBondContact O-N 3.42Å; L14-M16 PolarHBondContact O-N 2.85Å; M16-K20 WeakPolarHBondContact O-CB 3.15Å; M16-K20 PolarHBondContact O-N 2.85Å
17T93.5Very high91.7Very high80 Ų8044.3 Ų44.349%0.49124%0.243SC..Hα-helixtrans-68-51.9-178.1-550000110.8G13 L14 G19 K20 L21G13-T17 VanDerWaalsContact O-CB 3.25Å; G13-T17 WeakPolarHBondContact O-CB 3.47Å; G13-T17 PolarHBondContact O-N 2.92Å; G13-T17 PolarHBondContact O-OG1 3Å; L14-T17 PolarHBondContact O-N 2.95Å; T17-G19 VanDerWaalsContact C-N 3.33Å; T17-G19 PolarHBondContact O-N 2.86Å; T17-K20 WeakPolarHBondContact O-CB 3.2Å; T17-K20 PolarHBondContact O-N 2.75Å; T17-L21 HydrophobicContact CG2-CD1 4.22Å; T17-L21 VanDerWaalsContact O-CG 3.28Å; T17-L21 WeakPolarHBondContact O-CG 3.47Å; T17-L21 PolarHBondContact O-N 2.86Å
18L92.3Very high91.7Very high18 Ų1848 Ų489%0.09427%0.266CS..Hα-helixtrans-62.8-42177.6-65.2-179.6000111.1L14 K20 L21 Y22 I27 L40 V226 S229L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 2.96Å; L14-L18 PolarHBondContact O-N 2.77Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.81Å; L18-L21 HydrophobicContact CD2-CD1 4.48Å; L18-L21 PolarHBondContact O-N 2.91Å; L18-Y22 WeakPolarHBondContact O-CD2 3.25Å; L18-Y22 PolarHBondContact O-N 3.05Å; L18-I27 HydrophobicContact CD2-CD1 4.33Å; L18-L40 HydrophobicContact CD2-CD2 4.03Å; L18-V226 HydrophobicContact CD1-CG2 4.32Å; L18-S229 WeakPolarHBondContact CB-OG 3.24Å; L18-S229 WeakPolarHBondContact CD1-OG 3.38Å
19G90Very high91.8Very high0 Ų049.3 Ų49.30%028%0.276CS..Hα-helixtrans-59.1-40175.400000112.7L15 T17 Y22 T23L15-G19 WeakPolarHBondContact O-CA 3.05Å; L15-G19 PolarHBondContact O-N 2.88Å; T17-G19 VanDerWaalsContact C-N 3.33Å; T17-G19 PolarHBondContact O-N 2.86Å; G19-Y22 PolarHBondContact O-N 3.43Å; G19-T23 WeakPolarHBondContact O-CG2 3.46Å; G19-T23 PolarHBondContact O-N 2.88Å; G19-T23 VanDerWaalsContact O-N 3.08Å; G19-T23 PolarHBondContact O-OG1 2.94Å
20K89.8Confident91.8Very high99 Ų9949 Ų4943%0.4327%0.268SS..Hα-helixtrans-63.3-49.9174.4-174.9-174.4172.5-169.30111.4M16 T17 L18 Y22 T23 E24M16-K20 WeakPolarHBondContact O-CB 3.15Å; M16-K20 PolarHBondContact O-N 2.85Å; T17-K20 WeakPolarHBondContact O-CB 3.2Å; T17-K20 PolarHBondContact O-N 2.75Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.81Å; K20-Y22 PolarHBondContact O-N 3.29Å; K20-T23 WeakPolarHBondContact CA-OG1 3.39Å; K20-T23 PolarHBondContact O-N 2.87Å; K20-T23 PolarHBondContact O-OG1 2.87Å; K20-E24 WeakPolarHBondContact CE-OE1 3.32Å; K20-E24 WeakPolarHBondContact CE-OE2 3.48Å; K20-E24 IonicContact NZ-OE1 3.95Å; K20-E24 PolarHBondContact O-N 2.8Å
21L91.7Very high91.7Very high40 Ų4051.2 Ų51.221%0.20928%0.278CS..Hα-helixtrans-63.1-28.4179.4-63.2172.8000113T17 L18 S25 E26 I27T17-L21 HydrophobicContact CG2-CD1 4.22Å; T17-L21 VanDerWaalsContact O-CG 3.28Å; T17-L21 WeakPolarHBondContact O-CG 3.47Å; T17-L21 PolarHBondContact O-N 2.86Å; L18-L21 HydrophobicContact CD2-CD1 4.48Å; L18-L21 PolarHBondContact O-N 2.91Å; L21-S25 PolarHBondContact O-N 2.79Å; L21-E26 HydrophobicContact CB-CB 4.48Å; L21-E26 HydrophobicContact CD2-CB 4.25Å; L21-E26 HydrophobicContact CD2-CG 4.36Å; L21-E26 WeakPolarHBondContact CD2-OE2 3.39Å; L21-E26 PolarHBondContact O-N 2.84Å; L21-I27 HydrophobicContact CB-CD1 3.59Å; L21-I27 HydrophobicContact CB-CG1 3.77Å; L21-I27 PolarHBondContact O-N 2.92Å
22Y89.4Confident91.7Very high21 Ų2155.3 Ų55.38%0.08231%0.312CS..Hα-helixtrans-70.2-44.7169.4-87.7-69.6000111.7L18 G19 K20 S25 I27 S229 V230L18-Y22 WeakPolarHBondContact O-CD2 3.25Å; L18-Y22 PolarHBondContact O-N 3.05Å; G19-Y22 PolarHBondContact O-N 3.43Å; K20-Y22 PolarHBondContact O-N 3.29Å; Y22-S25 PolarHBondContact O-N 2.77Å; Y22-I27 HydrophobicContact CD1-CB 4.03Å; Y22-I27 HydrophobicContact CD1-CD1 4.26Å; Y22-I27 HydrophobicContact CD1-CG2 4.02Å; Y22-I27 HydrophobicContact CD2-CD1 3.44Å; Y22-I27 VanDerWaalsContact CD2-CD1 3.44Å; Y22-I27 HydrophobicContact CE1-CB 3.97Å; Y22-I27 HydrophobicContact CE1-CD1 4.3Å; Y22-I27 HydrophobicContact CE1-CG2 3.43Å; Y22-I27 VanDerWaalsContact CE1-CG2 3.43Å; Y22-I27 HydrophobicContact CE2-CD1 3.47Å; Y22-I27 VanDerWaalsContact CE2-CD1 3.47Å; Y22-I27 HydrophobicContact CE2-CG2 4.3Å; Y22-I27 HydrophobicContact CG-CB 4.4Å; Y22-I27 HydrophobicContact CG-CD1 3.83Å; Y22-S229 WeakPolarHBondContact CD2-O 3.49Å; Y22-V230 HydrophobicContact CE1-CG1 4.3Å; Y22-V230 HydrophobicContact CE1-CG2 4.16Å; Y22-V230 HydrophobicContact CE2-CG2 4Å
23T87.3Confident91.8Very high47 Ų4757.7 Ų57.729%0.28833%0.332SS..Hα-helixtrans-68.6-33.6-179.853.80000113.5G19 K20 S25 V231G19-T23 WeakPolarHBondContact O-CG2 3.46Å; G19-T23 PolarHBondContact O-N 2.88Å; G19-T23 VanDerWaalsContact O-N 3.08Å; G19-T23 PolarHBondContact O-OG1 2.94Å; K20-T23 WeakPolarHBondContact CA-OG1 3.39Å; K20-T23 PolarHBondContact O-N 2.87Å; K20-T23 PolarHBondContact O-OG1 2.87Å; T23-S25 PolarHBondContact O-N 3.33Å; T23-V231 HydrophobicContact CG2-CB 4.3Å; T23-V231 HydrophobicContact CG2-CG1 4.07Å
24E90.3Very high91.6Very high98 Ų9859.2 Ų59.246%0.45835%0.348SS..THydrogen-bonded Turntrans-82.85.1175.4-68.9173.2172.800112.3K20 E26K20-E24 WeakPolarHBondContact CE-OE1 3.32Å; K20-E24 WeakPolarHBondContact CE-OE2 3.48Å; K20-E24 IonicContact NZ-OE1 3.95Å; K20-E24 PolarHBondContact O-N 2.8Å; E24-E26 HydrophobicContact CB-CG 4.45Å; E24-E26 PolarHBondContact O-N 2.83Å; E24-E26 VanDerWaalsContact O-N 3.13Å
25S89.6Confident91.5Very high60 Ų6062.3 Ų62.342%0.4236%0.364SS..THydrogen-bonded Turntrans62.111178.4-57.30000115.8L21 Y22 T23 I27 T28 V29L21-S25 PolarHBondContact O-N 2.79Å; Y22-S25 PolarHBondContact O-N 2.77Å; T23-S25 PolarHBondContact O-N 3.33Å; S25-I27 PolarHBondContact O-N 2.84Å; S25-T28 WeakPolarHBondContact O-CB 3.07Å; S25-T28 PolarHBondContact O-N 3Å; S25-V29 WeakPolarHBondContact O-CG2 3.41Å; S25-V29 PolarHBondContact O-N 2.85Å
26E93.3Very high91.3Very high101 Ų10165.5 Ų65.547%0.47239%0.386SS..Hα-helixtrans-62.5-44.6176.8-65.7-168.7-161.800111.8L21 E24 T28 V29 M30L21-E26 HydrophobicContact CB-CB 4.48Å; L21-E26 HydrophobicContact CD2-CB 4.25Å; L21-E26 HydrophobicContact CD2-CG 4.36Å; L21-E26 WeakPolarHBondContact CD2-OE2 3.39Å; L21-E26 PolarHBondContact O-N 2.84Å; E24-E26 HydrophobicContact CB-CG 4.45Å; E24-E26 PolarHBondContact O-N 2.83Å; E24-E26 VanDerWaalsContact O-N 3.13Å; E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 PolarHBondContact O-N 3.24Å; E26-V29 PolarHBondContact O-N 2.95Å; E26-M30 WeakPolarHBondContact O-CG 3.34Å; E26-M30 PolarHBondContact O-N 2.84Å
27I91.8Very high91.1Very high1 Ų162.7 Ų62.71%0.00537%0.371CS..Hα-helixtrans-65.9-35.6176.7-66.5165.9000111.2L18 L21 Y22 S25 V29 M30 H31 L40L18-I27 HydrophobicContact CD2-CD1 4.33Å; L21-I27 HydrophobicContact CB-CD1 3.59Å; L21-I27 HydrophobicContact CB-CG1 3.77Å; L21-I27 PolarHBondContact O-N 2.92Å; Y22-I27 HydrophobicContact CD1-CB 4.03Å; Y22-I27 HydrophobicContact CD1-CD1 4.26Å; Y22-I27 HydrophobicContact CD1-CG2 4.02Å; Y22-I27 HydrophobicContact CD2-CD1 3.44Å; Y22-I27 VanDerWaalsContact CD2-CD1 3.44Å; Y22-I27 HydrophobicContact CE1-CB 3.97Å; Y22-I27 HydrophobicContact CE1-CD1 4.3Å; Y22-I27 HydrophobicContact CE1-CG2 3.43Å; Y22-I27 VanDerWaalsContact CE1-CG2 3.43Å; Y22-I27 HydrophobicContact CE2-CD1 3.47Å; Y22-I27 VanDerWaalsContact CE2-CD1 3.47Å; Y22-I27 HydrophobicContact CE2-CG2 4.3Å; Y22-I27 HydrophobicContact CG-CB 4.4Å; Y22-I27 HydrophobicContact CG-CD1 3.83Å; S25-I27 PolarHBondContact O-N 2.84Å; I27-V29 VanDerWaalsContact C-N 3.35Å; I27-M30 HydrophobicContact CB-CE 4.07Å; I27-M30 HydrophobicContact CG1-CE 3.5Å; I27-M30 VanDerWaalsContact CG1-CE 3.5Å; I27-M30 PolarHBondContact O-N 3.15Å; I27-H31 VanDerWaalsContact CG2-CE1 3.47Å; I27-H31 WeakPolarHBondContact CG2-CE1 3.47Å; I27-H31 PolarHBondContact O-N 3.18Å; I27-L40 HydrophobicContact CD1-CD2 3.88Å; I27-L40 HydrophobicContact CG1-CD2 4.24Å; I27-L40 HydrophobicContact CG2-CD2 4.21Å
28T90.1Very high90.9Very high80 Ų8061.2 Ų61.249%0.49137%0.367SS..Hα-helixtrans-62.3-43.5176-52.80000111S25 E26 H31 A32S25-T28 WeakPolarHBondContact O-CB 3.07Å; S25-T28 PolarHBondContact O-N 3Å; E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 PolarHBondContact O-N 3.24Å; T28-H31 PolarHBondContact O-N 3.36Å; T28-A32 PolarHBondContact O-N 2.9Å
29V94Very high90.9Very high88 Ų8863.5 Ų63.553%0.53338%0.381SS..Hα-helixtrans-65.7-43.2175.1174.80000111.3S25 E26 I27 H31 A32 C33S25-V29 WeakPolarHBondContact O-CG2 3.41Å; S25-V29 PolarHBondContact O-N 2.85Å; E26-V29 PolarHBondContact O-N 2.95Å; I27-V29 VanDerWaalsContact C-N 3.35Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 2.74Å; V29-A32 WeakPolarHBondContact O-CB 3.26Å; V29-A32 PolarHBondContact O-N 2.88Å; V29-C33 PolarHBondContact O-N 2.68Å; V29-C33 PolarHBondContact O-SG 3.32Å
30M93.7Very high91Very high58 Ų5864.2 Ų64.229%0.28639%0.385SS..Hα-helixtrans-56.1-45.2175.6-75.3-167.3-73.600112E26 I27 A32 C33 G34 L35E26-M30 WeakPolarHBondContact O-CG 3.34Å; E26-M30 PolarHBondContact O-N 2.84Å; I27-M30 HydrophobicContact CB-CE 4.07Å; I27-M30 HydrophobicContact CG1-CE 3.5Å; I27-M30 VanDerWaalsContact CG1-CE 3.5Å; I27-M30 PolarHBondContact O-N 3.15Å; M30-A32 VanDerWaalsContact C-N 3.35Å; M30-C33 PolarHBondContact O-N 2.91Å; M30-G34 PolarHBondContact O-N 2.86Å; M30-L35 HydrophobicContact CB-CB 4.29Å; M30-L35 HydrophobicContact CB-CD1 3.84Å; M30-L35 HydrophobicContact CG-CD1 3.87Å; M30-L35 WeakPolarHBondContact O-CB 3.07Å; M30-L35 PolarHBondContact O-N 2.8Å; M30-L35 HydrophobicContact SD-CD1 4.2Å
31H90.8Very high91.2Very high65 Ų6560.9 Ų60.930%0.30137%0.373SS..Hα-helixtrans-65.2-36.4175.7-68.4161.4000112.5I27 T28 V29 C33 G34 L35I27-H31 VanDerWaalsContact CG2-CE1 3.47Å; I27-H31 WeakPolarHBondContact CG2-CE1 3.47Å; I27-H31 PolarHBondContact O-N 3.18Å; T28-H31 PolarHBondContact O-N 3.36Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 2.74Å; H31-C33 VanDerWaalsContact C-N 3.29Å; H31-C33 PolarHBondContact O-N 2.82Å; H31-G34 PolarHBondContact O-N 3.47Å; H31-G34 VanDerWaalsContact O-N 3.08Å; H31-L35 PolarHBondContact CD2-O 3.22Å; H31-L35 VanDerWaalsContact CD2-O 3.27Å
32A93Very high91.3Very high89 Ų8966 Ų6674%0.73639%0.393SS*.Hα-helixtrans-65.6-31.2175.300000112.7T28 V29 M30 G34T28-A32 PolarHBondContact O-N 2.9Å; V29-A32 WeakPolarHBondContact O-CB 3.26Å; V29-A32 PolarHBondContact O-N 2.88Å; M30-A32 VanDerWaalsContact C-N 3.35Å; A32-G34 PolarHBondContact O-N 2.9Å
33C95Very high91.5Very high103 Ų10367.4 Ų67.470%0.69641%0.41SS*.THydrogen-bonded Turntrans-80.14.5172.5-640000113.9V29 M30 H31V29-C33 PolarHBondContact O-N 2.68Å; V29-C33 PolarHBondContact O-SG 3.32Å; M30-C33 PolarHBondContact O-N 2.91Å; H31-C33 VanDerWaalsContact C-N 3.29Å; H31-C33 PolarHBondContact O-N 2.82Å
34G91.2Very high91.9Very high64 Ų6465.2 Ų65.266%0.6640%0.397SS*.THydrogen-bonded Turntrans86.97176.400000115.3M30 H31 A32 S36M30-G34 PolarHBondContact O-N 2.86Å; H31-G34 PolarHBondContact O-N 3.47Å; H31-G34 VanDerWaalsContact O-N 3.08Å; A32-G34 PolarHBondContact O-N 2.9Å; G34-S36 PolarHBondContact O-N 2.93Å
35L90.9Very high92.1Very high80 Ų8063.5 Ų63.542%0.41939%0.389SS..  trans-69.6131.9170.5-67.8162.2000109.2M30 H31 V39M30-L35 HydrophobicContact CB-CB 4.29Å; M30-L35 HydrophobicContact CB-CD1 3.84Å; M30-L35 HydrophobicContact CG-CD1 3.87Å; M30-L35 WeakPolarHBondContact O-CB 3.07Å; M30-L35 PolarHBondContact O-N 2.8Å; M30-L35 HydrophobicContact SD-CD1 4.2Å; H31-L35 PolarHBondContact CD2-O 3.22Å; H31-L35 VanDerWaalsContact CD2-O 3.27Å; L35-V39 HydrophobicContact CD2-CG2 4Å
36S88.1Confident92.4Very high68 Ų6865.5 Ų65.548%0.47639%0.394SS..  trans-88.7161.4177.370.80000111.6G34 A38 V39G34-S36 PolarHBondContact O-N 2.93Å; S36-A38 PolarHBondContact O-N 3.08Å; S36-A38 WeakPolarHBondContact OG-CB 3.33Å; S36-A38 PolarHBondContact OG-N 2.92Å; S36-V39 PolarHBondContact O-N 3.24Å
37K87.4Confident92.5Very high57 Ų5764.9 Ų64.925%0.24839%0.393CS..Hα-helixtrans-54.1-20.6171.8-63.9-170.7178.4-161.70113.7V39 L40 V41 D291K37-V39 PolarHBondContact O-N 2.64Å; K37-L40 PolarHBondContact O-N 2.82Å; K37-L40 VanDerWaalsContact O-N 3.1Å; K37-V41 PolarHBondContact O-N 2.98Å; K37-D291 HydrophobicContact CD-CB 4.43Å; K37-D291 IonicContact NZ-OD2 2.85Å; K37-D291 PolarHBondContact NZ-OD2 3.26Å
38A89.2Confident92.6Very high48 Ų4864.8 Ų64.840%0.39739%0.393SS..Hα-helixtrans-60.1-27.8176.400000112.8S36 K42S36-A38 PolarHBondContact O-N 3.08Å; S36-A38 WeakPolarHBondContact OG-CB 3.33Å; S36-A38 PolarHBondContact OG-N 2.92Å; A38-K42 WeakPolarHBondContact O-CB 3.24Å; A38-K42 VanDerWaalsContact O-CG 3.25Å; A38-K42 WeakPolarHBondContact O-CG 3.16Å; A38-K42 PolarHBondContact O-N 2.75Å
39V92.7Very high92.9Very high66 Ų6664.2 Ų64.240%0.439%0.389SS..Hα-helixtrans-66.5-44.2175.41790000110.5L35 S36 K37 K42 A43L35-V39 HydrophobicContact CD2-CG2 4Å; S36-V39 PolarHBondContact O-N 3.24Å; K37-V39 PolarHBondContact O-N 2.64Å; V39-K42 PolarHBondContact O-N 3.24Å; V39-A43 PolarHBondContact O-N 3.14Å
40L92.7Very high92.9Very high15 Ų1566.5 Ų66.58%0.07939%0.392CS..Hα-helixtrans-64.2-43.3176.6-72.179.4000111.1L18 I27 K37 A43 A44 V226L18-L40 HydrophobicContact CD2-CD2 4.03Å; I27-L40 HydrophobicContact CD1-CD2 3.88Å; I27-L40 HydrophobicContact CG1-CD2 4.24Å; I27-L40 HydrophobicContact CG2-CD2 4.21Å; K37-L40 PolarHBondContact O-N 2.82Å; K37-L40 VanDerWaalsContact O-N 3.1Å; L40-A43 PolarHBondContact O-N 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 2.82Å; L40-V226 HydrophobicContact CB-CG1 3.98Å
41V92.9Very high92.9Very high30 Ų3065 Ų6518%0.18239%0.387CS..Hα-helixtrans-62.2-44.7175.9177.20000111.2K37 A43 A44 M45 L223 V226 N288K37-V41 PolarHBondContact O-N 2.98Å; V41-A43 PolarHBondContact O-N 2.73Å; V41-A44 PolarHBondContact O-N 3.49Å; V41-M45 HydrophobicContact CG1-CG 4.2Å; V41-M45 WeakPolarHBondContact O-CB 3.09Å; V41-M45 VanDerWaalsContact O-CG 3.24Å; V41-M45 WeakPolarHBondContact O-CG 3.31Å; V41-M45 PolarHBondContact O-N 2.89Å; V41-L223 HydrophobicContact CG1-CD1 3.73Å; V41-V226 HydrophobicContact CG2-CB 4.25Å; V41-V226 HydrophobicContact CG2-CG1 3.83Å; V41-V226 HydrophobicContact CG2-CG2 4.31Å; V41-N288 WeakPolarHBondContact CG2-OD1 3.39Å
42K94.2Very high93.1Very high146 Ų14662.2 Ų62.264%0.63537%0.374SS*.Hα-helixtrans-59.8-45.5176.8-77.8176.7-179.3-174.50111.7A38 V39 M45 I46A38-K42 WeakPolarHBondContact O-CB 3.24Å; A38-K42 VanDerWaalsContact O-CG 3.25Å; A38-K42 WeakPolarHBondContact O-CG 3.16Å; A38-K42 PolarHBondContact O-N 2.75Å; V39-K42 PolarHBondContact O-N 3.24Å; K42-M45 PolarHBondContact O-N 3.17Å; K42-I46 WeakPolarHBondContact O-CG1 3.21Å; K42-I46 PolarHBondContact O-N 3.26Å
43A94.3Very high93.1Very high51 Ų5162.7 Ų62.742%0.42136%0.363SS..Hα-helixtrans-62.1-45.3177.400000112V39 L40 V41 M45 I46 L47V39-A43 PolarHBondContact O-N 3.14Å; L40-A43 PolarHBondContact O-N 3.28Å; V41-A43 PolarHBondContact O-N 2.73Å; A43-M45 VanDerWaalsContact C-N 3.33Å; A43-M45 PolarHBondContact O-N 2.73Å; A43-I46 PolarHBondContact O-N 2.81Å; A43-L47 PolarHBondContact O-N 3.35Å; A43-L47 VanDerWaalsContact O-N 3.17Å
44A94.5Very high93Very high2 Ų261.7 Ų61.72%0.01735%0.354CS..Hα-helixtrans-60.8-41.117600000112L14 L40 V41 L47 A48 V226L14-A44 HydrophobicContact CD1-CB 4.07Å; L14-A44 HydrophobicContact CD2-CB 4.22Å; L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 2.82Å; V41-A44 PolarHBondContact O-N 3.49Å; A44-L47 PolarHBondContact O-N 2.82Å; A44-A48 WeakPolarHBondContact O-CB 3.14Å; A44-A48 PolarHBondContact O-N 2.8Å; A44-V226 HydrophobicContact CB-CG2 3.77Å
45M94.3Very high93.1Very high62 Ų6258.9 Ų58.931%0.30533%0.325SS..Hα-helixtrans-68.5-36.2178.6-71.8-58.5-63.900112.9V41 K42 A43 A48 V49 F219V41-M45 HydrophobicContact CG1-CG 4.2Å; V41-M45 WeakPolarHBondContact O-CB 3.09Å; V41-M45 VanDerWaalsContact O-CG 3.24Å; V41-M45 WeakPolarHBondContact O-CG 3.31Å; V41-M45 PolarHBondContact O-N 2.89Å; K42-M45 PolarHBondContact O-N 3.17Å; A43-M45 VanDerWaalsContact C-N 3.33Å; A43-M45 PolarHBondContact O-N 2.73Å; M45-A48 WeakPolarHBondContact O-CB 3.22Å; M45-A48 PolarHBondContact O-N 3.26Å; M45-V49 WeakPolarHBondContact O-CG2 3.33Å; M45-V49 PolarHBondContact O-N 2.87Å; M45-F219 HydrophobicContact CE-CB 4.43Å; M45-F219 HydrophobicContact CE-CD1 3.6Å; M45-F219 HydrophobicContact CE-CE1 4.35Å; M45-F219 HydrophobicContact CE-CG 4.45Å
46I95.7Very high93.1Very high102 Ų10256 Ų5652%0.52331%0.313SS..Hα-helixtrans-61.3-47.6173.6-69.5165000110K42 A43 A48 V49 F50K42-I46 WeakPolarHBondContact O-CG1 3.21Å; K42-I46 PolarHBondContact O-N 3.26Å; A43-I46 PolarHBondContact O-N 2.81Å; I46-A48 VanDerWaalsContact C-N 3.29Å; I46-A48 PolarHBondContact O-N 2.77Å; I46-V49 PolarHBondContact O-N 2.8Å; I46-F50 HydrophobicContact CG2-CD2 4.16Å; I46-F50 HydrophobicContact CG2-CE2 3.79Å; I46-F50 WeakPolarHBondContact O-CD2 3.44Å; I46-F50 PolarHBondContact O-N 3.06Å
47L95.1Very high93.2Very high87 Ų8755.9 Ų55.946%0.45531%0.309SS..Hα-helixtrans-63.4-35.5175.6-70.2168.8000112.3L10 L14 A43 A44 F50 T51L10-L47 HydrophobicContact CD1-CB 3.93Å; L14-L47 HydrophobicContact CD2-CD1 3.94Å; A43-L47 PolarHBondContact O-N 3.35Å; A43-L47 VanDerWaalsContact O-N 3.17Å; A44-L47 PolarHBondContact O-N 2.82Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-T51 PolarHBondContact O-N 3.19Å; L47-T51 PolarHBondContact O-OG1 2.84Å
48A95.1Very high93.4Very high0 Ų054.9 Ų54.90%031%0.306CS..Hα-helixtrans-63.6-40.5174.800000112L10 A44 M45 I46 T51 A52 V218 F219 A222L10-A48 HydrophobicContact CD2-CB 4.12Å; A44-A48 WeakPolarHBondContact O-CB 3.14Å; A44-A48 PolarHBondContact O-N 2.8Å; M45-A48 WeakPolarHBondContact O-CB 3.22Å; M45-A48 PolarHBondContact O-N 3.26Å; I46-A48 VanDerWaalsContact C-N 3.29Å; I46-A48 PolarHBondContact O-N 2.77Å; A48-T51 PolarHBondContact O-N 2.8Å; A48-A52 WeakPolarHBondContact O-CB 3.3Å; A48-A52 PolarHBondContact O-N 3.49Å; A48-V218 HydrophobicContact CB-CG1 4.26Å; A48-V218 WeakPolarHBondContact O-CG1 3.24Å; A48-F219 HydrophobicContact CB-CD1 3.88Å; A48-F219 HydrophobicContact CB-CE1 4.26Å; A48-A222 HydrophobicContact CB-CB 3.6Å
49V95.7Very high93.3Very high67 Ų6752.9 Ų52.941%0.40629%0.289SS..Hα-helixtrans-59.7-49.5175.4171.30000110.8M45 I46 T51 A52 I53 F219M45-V49 WeakPolarHBondContact O-CG2 3.33Å; M45-V49 PolarHBondContact O-N 2.87Å; I46-V49 PolarHBondContact O-N 2.8Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.92Å; V49-A52 PolarHBondContact O-N 3Å; V49-I53 HydrophobicContact CG1-CD1 3.93Å; V49-I53 VanDerWaalsContact O-CG1 3.31Å; V49-I53 WeakPolarHBondContact O-CG1 3.29Å; V49-I53 PolarHBondContact O-N 3.3Å; V49-F219 HydrophobicContact CB-CE1 4.47Å; V49-F219 HydrophobicContact CG2-CE1 3.77Å; V49-F219 HydrophobicContact CG2-CZ 4.36Å
50F95.1Very high92.9Very high137 Ų13753.5 Ų53.560%0.60129%0.288SS*.Hα-helixtrans-58.5-46.5178-75.8-70000111.9I46 L47 A52 I53 V54I46-F50 HydrophobicContact CG2-CD2 4.16Å; I46-F50 HydrophobicContact CG2-CE2 3.79Å; I46-F50 WeakPolarHBondContact O-CD2 3.44Å; I46-F50 PolarHBondContact O-N 3.06Å; L47-F50 PolarHBondContact O-N 2.94Å; F50-A52 PolarHBondContact O-N 3.13Å; F50-I53 PolarHBondContact O-N 3.21Å; F50-V54 WeakPolarHBondContact O-CG2 3.24Å; F50-V54 PolarHBondContact O-N 2.92Å
51T94.1Very high92.5Very high27 Ų2761.3 Ų61.317%0.16632%0.317CS..Hα-helixtrans-67.3-37.4179.9-50.70000111.7L10 L47 A48 V49 V54 A55 V218L10-T51 HydrophobicContact CB-CG2 4.1Å; L10-T51 HydrophobicContact CD2-CG2 4.27Å; L47-T51 PolarHBondContact O-N 3.19Å; L47-T51 PolarHBondContact O-OG1 2.84Å; A48-T51 PolarHBondContact O-N 2.8Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.92Å; T51-V54 PolarHBondContact O-N 3.06Å; T51-A55 WeakPolarHBondContact O-CB 3.34Å; T51-A55 PolarHBondContact O-N 2.84Å; T51-V218 HydrophobicContact CG2-CG1 3.92Å
52A93.7Very high92.2Very high5 Ų561.8 Ų61.84%0.04132%0.324CS..Hα-helixtrans-68.6-36.3179.700000111.9A48 V49 F50 A55 A56 V215 V218 F219A48-A52 WeakPolarHBondContact O-CB 3.3Å; A48-A52 PolarHBondContact O-N 3.49Å; V49-A52 PolarHBondContact O-N 3Å; F50-A52 PolarHBondContact O-N 3.13Å; A52-A55 PolarHBondContact O-N 3.16Å; A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 3.41Å; A52-V215 HydrophobicContact CB-CG1 4.27Å; A52-V218 HydrophobicContact CB-CB 4.24Å; A52-V218 HydrophobicContact CB-CG1 4.12Å; A52-F219 HydrophobicContact CB-CD2 4.23Å; A52-F219 HydrophobicContact CB-CE1 4.25Å; A52-F219 HydrophobicContact CB-CE2 3.41Å; A52-F219 VanDerWaalsContact CB-CE2 3.41Å; A52-F219 HydrophobicContact CB-CZ 3.43Å; A52-F219 VanDerWaalsContact CB-CZ 3.43Å
53I93.9Very high91.7Very high99 Ų9955.3 Ų55.351%0.50830%0.299SS..Hα-helixtrans-61.7-48.1173.1-68.3165.2000110V49 F50 A55 A56 V57V49-I53 HydrophobicContact CG1-CD1 3.93Å; V49-I53 VanDerWaalsContact O-CG1 3.31Å; V49-I53 WeakPolarHBondContact O-CG1 3.29Å; V49-I53 PolarHBondContact O-N 3.3Å; F50-I53 PolarHBondContact O-N 3.21Å; I53-A55 VanDerWaalsContact C-N 3.35Å; I53-A55 PolarHBondContact O-N 3.49Å; I53-A56 PolarHBondContact O-N 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 3.48Å
54V93.2Very high91.1Very high82 Ų8252.9 Ų52.950%0.49728%0.279SS..Hα-helixtrans-62.1-43.5177.7176.50000111.1L6 F50 T51 V57 N58L6-V54 HydrophobicContact CD1-CG1 4.13Å; L6-V54 HydrophobicContact CD2-CG1 4.3Å; F50-V54 WeakPolarHBondContact O-CG2 3.24Å; F50-V54 PolarHBondContact O-N 2.92Å; T51-V54 PolarHBondContact O-N 3.06Å; V54-V57 PolarHBondContact O-N 3.16Å; V54-N58 WeakPolarHBondContact O-CB 3.2Å; V54-N58 PolarHBondContact O-N 2.83Å
55A91.5Very high90.6Very high5 Ų561 Ų614%0.04131%0.309CS..Hα-helixtrans-63-42.2176.100000112L6 T51 A52 I53 N58 V59 V218L6-A55 HydrophobicContact CD1-CB 4.1Å; T51-A55 WeakPolarHBondContact O-CB 3.34Å; T51-A55 PolarHBondContact O-N 2.84Å; A52-A55 PolarHBondContact O-N 3.16Å; I53-A55 VanDerWaalsContact C-N 3.35Å; I53-A55 PolarHBondContact O-N 3.49Å; A55-N58 WeakPolarHBondContact O-CB 3.21Å; A55-N58 PolarHBondContact O-N 3.22Å; A55-V59 WeakPolarHBondContact O-CB 3.09Å; A55-V59 VanDerWaalsContact O-CG2 3.25Å; A55-V59 WeakPolarHBondContact O-CG2 2.94Å; A55-V59 PolarHBondContact O-N 2.85Å; A55-V218 HydrophobicContact CB-CG2 4.29Å
56A91.3Very high90.2Very high21 Ų2161 Ų6117%0.17432%0.315CS..Hα-helixtrans-64.3-44.4178.500000111.6A52 I53 N58 V59 M60 V215A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 3.41Å; I53-A56 PolarHBondContact O-N 3.31Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 2.78Å; A56-V59 PolarHBondContact O-N 3.49Å; A56-M60 HydrophobicContact CB-CE 4.07Å; A56-M60 WeakPolarHBondContact O-CB 3.26Å; A56-M60 WeakPolarHBondContact O-CE 3.13Å; A56-M60 VanDerWaalsContact O-CG 3.27Å; A56-M60 WeakPolarHBondContact O-CG 3.47Å; A56-M60 PolarHBondContact O-N 3.43Å; A56-V215 HydrophobicContact CB-CG1 4.21Å; A56-V215 HydrophobicContact CB-CG2 4.01Å
57V91.2Very high89.6Confident64 Ų6457.7 Ų57.739%0.38830%0.301SS..Hα-helixtrans-61.3-42.4174173.10000111I53 V54 V59 W61 A62I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 3.48Å; V54-V57 PolarHBondContact O-N 3.16Å; V57-V59 PolarHBondContact O-N 2.83Å; V57-W61 HydrophobicContact CG1-CE3 4.2Å; V57-W61 PolarHBondContact O-N 2.93Å; V57-A62 PolarHBondContact O-N 2.9Å
58N90.4Very high88.9Confident36 Ų3658.8 Ų58.819%0.19330%0.299CS..Iπ-helixtrans-61.9-45.1178-172.5-97.8000111.9L6 V54 A55 A56 A62 G63L6-N58 HydrophobicContact CD1-CB 4.46Å; V54-N58 WeakPolarHBondContact O-CB 3.2Å; V54-N58 PolarHBondContact O-N 2.83Å; A55-N58 WeakPolarHBondContact O-CB 3.21Å; A55-N58 PolarHBondContact O-N 3.22Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 2.78Å; N58-A62 CarbonylContact O-C 3.59Å; N58-A62 PolarHBondContact O-N 3.47Å; N58-G63 PolarHBondContact O-N 2.9Å
59V87.1Confident88.4Confident6 Ų663.2 Ų63.24%0.03632%0.32CS..Iπ-helixtrans-73-36.1-177.2169.80000112.3Q3 A55 A56 V57 R211 L214Q3-V59 HydrophobicContact CG-CG2 4.22Å; A55-V59 WeakPolarHBondContact O-CB 3.09Å; A55-V59 VanDerWaalsContact O-CG2 3.25Å; A55-V59 WeakPolarHBondContact O-CG2 2.94Å; A55-V59 PolarHBondContact O-N 2.85Å; A56-V59 PolarHBondContact O-N 3.49Å; V57-V59 PolarHBondContact O-N 2.83Å; V59-R211 HydrophobicContact CG1-CB 3.35Å; V59-R211 HydrophobicContact CG1-CG 3.45Å; V59-R211 VanDerWaalsContact CG1-CG 3.45Å; V59-L214 HydrophobicContact CG2-CD1 4.26Å
60M85Confident87.7Confident79 Ų7965.3 Ų65.339%0.38933%0.325SS..Iπ-helixtrans-80.7-37.1-177-70.4-172.7-65.800113.7A56A56-M60 HydrophobicContact CB-CE 4.07Å; A56-M60 WeakPolarHBondContact O-CB 3.26Å; A56-M60 WeakPolarHBondContact O-CE 3.13Å; A56-M60 VanDerWaalsContact O-CG 3.27Å; A56-M60 WeakPolarHBondContact O-CG 3.47Å; A56-M60 PolarHBondContact O-N 3.43Å
61W84.8Confident86.8Confident180 Ų18060.6 Ų60.668%0.68231%0.306SS*.Iπ-helixtrans-119.9-54.4-173.4-65.4-21.1000113.2V57 G63 W65V57-W61 HydrophobicContact CG1-CE3 4.2Å; V57-W61 PolarHBondContact O-N 2.93Å; W61-G63 PolarHBondContact O-N 3.44Å; W61-W65 WeakPolarHBondContact O-CB 3.29Å; W61-W65 PolarHBondContact O-N 3.45Å; W61-W65 VanDerWaalsContact O-N 3.13Å
62A85.6Confident86.1Confident39 Ų3964.9 Ų64.932%0.32232%0.324SS..Iπ-helixtrans-67.3-37-171.100000112.8V57 N58 S66V57-A62 PolarHBondContact O-N 2.9Å; N58-A62 CarbonylContact O-C 3.59Å; N58-A62 PolarHBondContact O-N 3.47Å; A62-S66 WeakPolarHBondContact O-CB 3.26Å; A62-S66 PolarHBondContact O-N 2.66Å
63G84.5Confident85.5Confident11 Ų1167.9 Ų67.911%0.11334%0.342CS..Hα-helixtrans-60.9-64.8177.500000111.8N58 W61 W65 S66 S67N58-G63 PolarHBondContact O-N 2.9Å; W61-G63 PolarHBondContact O-N 3.44Å; G63-W65 VanDerWaalsContact C-N 3.29Å; G63-W65 PolarHBondContact O-N 2.82Å; G63-S66 PolarHBondContact O-N 2.74Å; G63-S67 PolarHBondContact O-N 3.18Å; G63-S67 PolarHBondContact O-OG 2.91Å
64P82.3Confident84.7Confident0 Ų066.5 Ų66.50%034%0.335CS..Hα-helixtrans-58.1-38.1-179.4-2837000113.7R68P64-R68 WeakPolarHBondContact O-CB 3.44Å; P64-R68 VanDerWaalsContact O-CG 3.31Å; P64-R68 WeakPolarHBondContact O-CG 3.22Å; P64-R68 PolarHBondContact O-N 3.4Å; P64-R68 PolarHBondContact O-NE 2.92Å
65W83.4Confident83.6Confident172 Ų17263.8 Ų63.865%0.65232%0.321SS*.Hα-helixtrans-65.6-46.4177.3179.378.2000111.8W61 G63 H69W61-W65 WeakPolarHBondContact O-CB 3.29Å; W61-W65 PolarHBondContact O-N 3.45Å; W61-W65 VanDerWaalsContact O-N 3.13Å; G63-W65 VanDerWaalsContact C-N 3.29Å; G63-W65 PolarHBondContact O-N 2.82Å; W65-H69 PolarHBondContact O-N 3.09Å; W65-H69 VanDerWaalsContact O-N 3.09Å
66S85.4Confident82.6Confident62 Ų6269.4 Ų69.443%0.43435%0.347SS..Hα-helixtrans-64.5-40177.6-176.50000112.1A62 G63 Q70A62-S66 WeakPolarHBondContact O-CB 3.26Å; A62-S66 PolarHBondContact O-N 2.66Å; G63-S66 PolarHBondContact O-N 2.74Å; S66-Q70 VanDerWaalsContact O-CB 3.26Å; S66-Q70 WeakPolarHBondContact O-CB 3.47Å; S66-Q70 PolarHBondContact O-N 2.64Å
67S82.9Confident81.5Confident32 Ų3271 Ų7122%0.22436%0.36CS..Hα-helixtrans-66.5-47.3178.8-60.30000111.2G63 H69 Q70 D71G63-S67 PolarHBondContact O-N 3.18Å; G63-S67 PolarHBondContact O-OG 2.91Å; S67-H69 VanDerWaalsContact C-N 3.31Å; S67-H69 PolarHBondContact O-N 2.99Å; S67-Q70 PolarHBondContact O-N 3.15Å; S67-D71 PolarHBondContact O-N 3.02Å
68R81.3Confident80.2Confident110 Ų11074 Ų7442%0.41537%0.368SS..Hα-helixtrans-56.3-45176.4-78.1-173.2-76.5174.4-16.8112.4P64 D71 E72 Q190 D192P64-R68 WeakPolarHBondContact O-CB 3.44Å; P64-R68 VanDerWaalsContact O-CG 3.31Å; P64-R68 WeakPolarHBondContact O-CG 3.22Å; P64-R68 PolarHBondContact O-N 3.4Å; P64-R68 PolarHBondContact O-NE 2.92Å; R68-D71 PolarHBondContact O-N 2.96Å; R68-E72 WeakPolarHBondContact O-CB 3.3Å; R68-E72 PolarHBondContact O-N 3.18Å; R68-Q190 HydrophobicContact CG-CB 4Å; R68-Q190 HydrophobicContact CG-CG 4.41Å; R68-D192 IonicContact CZ-OD1 3.96Å; R68-D192 IonicContact NH2-OD1 2.81Å; R68-D192 PolarHBondContact NH2-OD1 3.33Å; R68-D192 IonicContact NH2-OD2 2.95Å
69H84.2Confident78.8Confident94 Ų9473.4 Ų73.444%0.43537%0.368SS..Hα-helixtrans-69.9-38.4179.1-169.559.4000112.4W65 S67 D71 E72 V73W65-H69 PolarHBondContact O-N 3.09Å; W65-H69 VanDerWaalsContact O-N 3.09Å; S67-H69 VanDerWaalsContact C-N 3.31Å; S67-H69 PolarHBondContact O-N 2.99Å; H69-D71 VanDerWaalsContact C-N 3.3Å; H69-D71 PolarHBondContact O-N 3.02Å; H69-E72 IonicContact ND1-OE2 2.97Å; H69-E72 PolarHBondContact O-N 3.19Å; H69-V73 WeakPolarHBondContact O-CB 3.14Å; H69-V73 VanDerWaalsContact O-CG2 3.26Å; H69-V73 WeakPolarHBondContact O-CG2 3.31Å; H69-V73 PolarHBondContact O-N 3.28Å
70Q81.8Confident77.5Confident111 Ų11177.3 Ų77.352%0.51939%0.388SS..Hα-helixtrans-60.2-43.2174.6177.8179.2-15.700111.1S66 S67 V73 L74S66-Q70 VanDerWaalsContact O-CB 3.26Å; S66-Q70 WeakPolarHBondContact O-CB 3.47Å; S66-Q70 PolarHBondContact O-N 2.64Å; S67-Q70 PolarHBondContact O-N 3.15Å; Q70-V73 PolarHBondContact O-N 3.13Å; Q70-L74 HydrophobicContact CG-CD1 3.83Å; Q70-L74 HydrophobicContact CG-CG 4.36Å; Q70-L74 VanDerWaalsContact O-CB 3.29Å; Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 VanDerWaalsContact O-CG 3.22Å; Q70-L74 WeakPolarHBondContact O-CG 3.4Å; Q70-L74 PolarHBondContact O-N 3.41Å
71D75.9Confident76.2Confident38 Ų3875.5 Ų75.520%0.20338%0.382CS..Hα-helixtrans-72.9-33.8-179.1-67.5-39.3000112.4S67 R68 H69 L74 A75 L183 Q190S67-D71 PolarHBondContact O-N 3.02Å; R68-D71 PolarHBondContact O-N 2.96Å; H69-D71 VanDerWaalsContact C-N 3.3Å; H69-D71 PolarHBondContact O-N 3.02Å; D71-L74 PolarHBondContact O-N 2.77Å; D71-A75 WeakPolarHBondContact O-CB 2.97Å; D71-A75 PolarHBondContact O-N 2.97Å; D71-L183 HydrophobicContact CB-CD2 3.82Å; D71-Q190 VanDerWaalsContact OD2-CD 3.28Å; D71-Q190 WeakPolarHBondContact OD2-CG 3.44Å; D71-Q190 PolarHBondContact OD2-NE2 2.92Å
72E79.2Confident74.6Confident117 Ų11769.3 Ų69.355%0.54738%0.375SS..Hα-helixtrans-60.9-49.5169.3-177.3177.5-156.700111.4R68 H69 L74 A75 E76R68-E72 WeakPolarHBondContact O-CB 3.3Å; R68-E72 PolarHBondContact O-N 3.18Å; H69-E72 IonicContact ND1-OE2 2.97Å; H69-E72 PolarHBondContact O-N 3.19Å; E72-L74 PolarHBondContact O-N 2.91Å; E72-A75 PolarHBondContact O-N 3.4Å; E72-E76 WeakPolarHBondContact O-CB 3.47Å; E72-E76 PolarHBondContact O-N 3.16Å
73V80.4Confident72.9Confident67 Ų6769.8 Ų69.841%0.40637%0.371SS..Hα-helixtrans-65.2-38.8178.2172.60000111.4H69 Q70 E76 A77H69-V73 WeakPolarHBondContact O-CB 3.14Å; H69-V73 VanDerWaalsContact O-CG2 3.26Å; H69-V73 WeakPolarHBondContact O-CG2 3.31Å; H69-V73 PolarHBondContact O-N 3.28Å; Q70-V73 PolarHBondContact O-N 3.13Å; V73-E76 PolarHBondContact O-N 3.1Å; V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.22Å; V73-A77 PolarHBondContact O-N 3.41Å
74L77Confident71.3Confident71 Ų7174 Ų7437%0.37240%0.404SS..Hα-helixtrans-69.3-35.8174.9-76172000111.9Q70 D71 E72 K78Q70-L74 HydrophobicContact CG-CD1 3.83Å; Q70-L74 HydrophobicContact CG-CG 4.36Å; Q70-L74 VanDerWaalsContact O-CB 3.29Å; Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 VanDerWaalsContact O-CG 3.22Å; Q70-L74 WeakPolarHBondContact O-CG 3.4Å; Q70-L74 PolarHBondContact O-N 3.41Å; D71-L74 PolarHBondContact O-N 2.77Å; E72-L74 PolarHBondContact O-N 2.91Å; L74-K78 WeakPolarHBondContact O-CB 3.39Å; L74-K78 WeakPolarHBondContact O-CG 3.13Å; L74-K78 PolarHBondContact O-N 3.24Å
75A70.7Confident70Confident24 Ų2476.6 Ų76.620%0.19843%0.426CS..Hα-helixtrans-67.3-42.3174.700000110.4D71 E72 K78 A79 V181D71-A75 WeakPolarHBondContact O-CB 2.97Å; D71-A75 PolarHBondContact O-N 2.97Å; E72-A75 PolarHBondContact O-N 3.4Å; A75-K78 CarbonylContact O-C 3.6Å; A75-K78 PolarHBondContact O-N 3.33Å; A75-A79 VanDerWaalsContact O-CB 3.22Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 3.41Å; A75-V181 HydrophobicContact CB-CB 4.42Å
76E70.5Confident68.9Low124 Ų12470.3 Ų70.358%0.57941%0.405SS*.Hα-helixtrans-63.7-44.5173.9-171.6175.3-169.900111.3E72 V73 K78 A79 N80E72-E76 WeakPolarHBondContact O-CB 3.47Å; E72-E76 PolarHBondContact O-N 3.16Å; V73-E76 PolarHBondContact O-N 3.1Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 2.89Å; E76-A79 PolarHBondContact O-N 2.84Å; E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 2.78Å
77A68.4Low67.7Low55 Ų5569.1 Ų69.146%0.45540%0.399SS..Hα-helixtrans-68.8-25.6176.300000113.5V73 N80 P81V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.22Å; V73-A77 PolarHBondContact O-N 3.41Å; A77-N80 CarbonylContact O-C 3.58Å; A77-P81 WeakPolarHBondContact O-CA 3.39Å
78K63.8Low67.3Low126 Ų12673.2 Ų73.255%0.54842%0.415SS..Hα-helixtrans-87.5-22.1173-76.9175.4178178.40113.1L74 A75 E76 P81 V181L74-K78 WeakPolarHBondContact O-CB 3.39Å; L74-K78 WeakPolarHBondContact O-CG 3.13Å; L74-K78 PolarHBondContact O-N 3.24Å; A75-K78 CarbonylContact O-C 3.6Å; A75-K78 PolarHBondContact O-N 3.33Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 2.89Å; K78-P81 WeakPolarHBondContact O-CD 3.1Å; K78-P81 WeakPolarHBondContact O-CG 3.07Å; K78-V181 HydrophobicContact CB-CG2 4.01Å; K78-V181 HydrophobicContact CD-CG2 3.53Å; K78-V181 HydrophobicContact CG-CG2 4.46Å
79A60.5Low67.1Low23 Ų2370.1 Ų70.119%0.1942%0.417CS..Hα-helixtrans-77.7-37.3170.100000110.4A75 E76 P81 Q139A75-A79 VanDerWaalsContact O-CB 3.22Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 3.41Å; E76-A79 PolarHBondContact O-N 2.84Å; A79-P81 WeakPolarHBondContact O-CD 3.47Å; A79-Q139 PolarHBondContact O-NE2 3.09Å
80N60.9Low66.8Low88 Ų8871.5 Ų71.547%0.47142%0.423SS..SBendtrans-104.457.5164.3-73.9-15.2000110.8E76 A77 G82 Q139E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 2.78Å; A77-N80 CarbonylContact O-C 3.58Å; N80-G82 VanDerWaalsContact C-N 3.26Å; N80-G82 PolarHBondContact O-N 3.42Å; N80-Q139 PolarHBondContact OD1-NE2 3.44Å; N80-Q139 PolarHBondContact OD1-OE1 3.42Å
81P55.9Low66.8Low41 Ų4172.7 Ų72.727%0.26643%0.427SS..  trans-65.3106.8166.628.7-18.5000103.2A77 K78 A79 M83 A85 Q145A77-P81 WeakPolarHBondContact O-CA 3.39Å; K78-P81 WeakPolarHBondContact O-CD 3.1Å; K78-P81 WeakPolarHBondContact O-CG 3.07Å; A79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-M83 PolarHBondContact O-N 3.13Å; P81-A85 HydrophobicContact CB-CB 3.84Å; P81-Q145 VanDerWaalsContact CG-NE2 3.33Å
82G51.4Low66.7Low51 Ų5174.1 Ų74.153%0.52643%0.432SS..  trans-45.6142.2173.100000107.4N80 A84 A85N80-G82 VanDerWaalsContact C-N 3.26Å; N80-G82 PolarHBondContact O-N 3.42Å; G82-A84 CarbonylContact O-C 3.48Å; G82-A84 WeakPolarHBondContact O-CA 3.39Å; G82-A84 PolarHBondContact O-N 3.07Å; G82-A85 PolarHBondContact O-N 3.09Å
83M50.3Low66.4Low48 Ų4875.5 Ų75.524%0.23644%0.439CS..G310 helixtrans-38.2-24.4179.3-68.8-82.4-175.300114.3P81 A85 L86 G108 S109 F111 L137P81-M83 PolarHBondContact O-N 3.13Å; M83-A85 PolarHBondContact O-N 3.49Å; M83-A85 VanDerWaalsContact O-N 3.15Å; M83-L86 PolarHBondContact O-N 2.77Å; M83-G108 WeakPolarHBondContact CB-O 3.32Å; M83-G108 WeakPolarHBondContact CG-O 3.38Å; M83-S109 VanDerWaalsContact CE-OG 3.24Å; M83-S109 WeakPolarHBondContact CE-OG 3.22Å; M83-F111 HydrophobicContact SD-CE1 4.09Å; M83-F111 HydrophobicContact SD-CZ 3.99Å; M83-L137 HydrophobicContact CE-CB 3.72Å; M83-L137 HydrophobicContact CE-CD2 4.1Å; M83-L137 HydrophobicContact CE-CG 4.29Å; M83-L137 WeakPolarHBondContact CE-O 3.5Å; M83-L137 HydrophobicContact SD-CB 3.94Å; M83-L137 HydrophobicContact SD-CD2 3.78Å; M83-L137 HydrophobicContact SD-CG 4.44Å
84A50.6Low65.8Low99 Ų9974.1 Ų74.182%0.81843%0.434SS*.G310 helixtrans-51.3-17.5166.400000117.5G82 L86G82-A84 CarbonylContact O-C 3.48Å; G82-A84 WeakPolarHBondContact O-CA 3.39Å; G82-A84 PolarHBondContact O-N 3.07Å; A84-L86 VanDerWaalsContact C-N 3.28Å; A84-L86 PolarHBondContact O-N 3.05Å
85A55.4Low64.9Low56 Ų5676.3 Ų76.346%0.46345%0.451SS..G310 helixtrans-74-19.817700000113P81 G82 M83 A87 Q92P81-A85 HydrophobicContact CB-CB 3.84Å; G82-A85 PolarHBondContact O-N 3.09Å; M83-A85 PolarHBondContact O-N 3.49Å; M83-A85 VanDerWaalsContact O-N 3.15Å; A85-A87 PolarHBondContact O-N 2.77Å; A85-Q92 PolarHBondContact O-NE2 3.26Å
86L60.8Low64.6Low40 Ų4079.5 Ų79.521%0.20947%0.465CS..SBendtrans-85.985.8170.9-64.4174.7000108.6M83 A84 Q88 L101 I103 F111M83-L86 PolarHBondContact O-N 2.77Å; A84-L86 VanDerWaalsContact C-N 3.28Å; A84-L86 PolarHBondContact O-N 3.05Å; L86-Q88 PolarHBondContact O-N 3.25Å; L86-L101 HydrophobicContact CD1-CD2 4.44Å; L86-L101 HydrophobicContact CD2-CD2 3.93Å; L86-I103 HydrophobicContact CB-CD1 4.15Å; L86-I103 HydrophobicContact CD1-CD1 3.66Å; L86-I103 HydrophobicContact CG-CD1 4.35Å; L86-F111 HydrophobicContact CD1-CE1 3.95Å; L86-F111 HydrophobicContact CD1-CE2 4.29Å; L86-F111 HydrophobicContact CD1-CZ 3.59Å
87A60.1Low64.5Low36 Ų3675.4 Ų75.430%0.29846%0.456SS..  trans-50.4106.6173.300000110.5A85 G89 Q90A85-A87 PolarHBondContact O-N 2.77Å; A87-G89 PolarHBondContact O-N 3.06Å; A87-Q90 HydrophobicContact CB-CB 4.13Å; A87-Q90 HydrophobicContact CB-CG 4.27Å; A87-Q90 PolarHBondContact O-N 3.19Å
88Q73.6Confident64.8Low119 Ų11973.9 Ų73.956%0.55644%0.442SS*.THydrogen-bonded Turntrans-50.8132.6174.8-174.6-177.6-1.400110.5L86 Q90 E104L86-Q88 PolarHBondContact O-N 3.25Å; Q88-Q90 VanDerWaalsContact C-N 3.27Å; Q88-Q90 PolarHBondContact O-N 3.2Å; Q88-E104 WeakPolarHBondContact CG-O 3.46Å; Q88-E104 PolarHBondContact NE2-O 3.46Å
89G77.1Confident65.4Low44 Ų4469.1 Ų69.145%0.45442%0.424SS..THydrogen-bonded Turntrans72.811.7176.100000115.3A87 I103A87-G89 PolarHBondContact O-N 3.06Å; G89-I103 PolarHBondContact N-O 3.38Å
90Q79Confident66.4Low123 Ų12369 Ų6958%0.57542%0.421SS*.  trans-117139.3175.7-63.7-173.7-5.700111.8A87 Q88 Q92A87-Q90 HydrophobicContact CB-CB 4.13Å; A87-Q90 HydrophobicContact CB-CG 4.27Å; A87-Q90 PolarHBondContact O-N 3.19Å; Q88-Q90 VanDerWaalsContact C-N 3.27Å; Q88-Q90 PolarHBondContact O-N 3.2Å; Q90-Q92 PolarHBondContact O-N 2.91Å
91F80.7Confident67.4Low137 Ų13766.2 Ų66.260%0.60141%0.406SS*.  trans-75.1109.3170.8-69.1-83.3000109.7V100 F102 F115F91-V100 HydrophobicContact CB-CG1 3.88Å; F91-V100 HydrophobicContact CD1-CG1 3.91Å; F91-V100 HydrophobicContact CG-CG1 4.37Å; F91-F102 HydrophobicContact CD1-CB 3.56Å; F91-F102 AromaticContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CG 4.06Å; F91-F102 AromaticContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CE1-CB 3.57Å; F91-F102 AromaticContact CE1-CD2 3.77Å; F91-F102 HydrophobicContact CE1-CD2 3.77Å; F91-F102 AromaticContact CE1-CG 3.76Å; F91-F102 HydrophobicContact CE1-CG 3.76Å; F91-F102 AromaticContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CE2 4.13Å; F91-F102 HydrophobicContact CG-CB 4.33Å; F91-F102 HydrophobicContact CG-CD2 4Å; F91-F102 HydrophobicContact CZ-CB 4.35Å; F91-F102 AromaticContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CE2 4.21Å; F91-F102 HydrophobicContact CZ-CG 4.05Å; F91-F115 HydrophobicContact CE1-CD1 4.22Å; F91-F115 HydrophobicContact CE1-CE1 4.45Å
92Q75Confident68.8Low67 Ų6766.2 Ų66.231%0.31340%0.402SS..EExtended strand (participates in β ladder)trans-97.7128.2176.1-65.5-15435.700111.2A85 Q90 V100 L101A85-Q92 PolarHBondContact O-NE2 3.26Å; Q90-Q92 PolarHBondContact O-N 2.91Å; Q92-V100 CarbonylContact O-C 3.54Å; Q92-V100 WeakPolarHBondContact O-CA 3.46Å; Q92-L101 PolarHBondContact N-O 2.88Å; Q92-L101 PolarHBondContact O-N 3.26Å
93Q73.3Confident70.4Confident147 Ų14764.1 Ų64.169%0.68738%0.379SS*.EExtended strand (participates in β ladder)trans-88.2133.1171.6-66.9-177.114.900109.4V100Q93-V100 HydrophobicContact CG-CG2 4.19Å
94A66.9Low72.1Confident37 Ų3767.1 Ų67.131%0.30639%0.392SS..PPolyproline II helixtrans-63.4153.3168.600000110.2N96 G97 S99A94-N96 WeakPolarHBondContact CB-OD1 3.25Å; A94-N96 PolarHBondContact O-N 2.87Å; A94-G97 PolarHBondContact O-N 3.44Å; A94-S99 WeakPolarHBondContact CB-OG 3.28Å; A94-S99 PolarHBondContact N-O 3.46Å
95T59.3Low73.5Confident118 Ų11864 Ų6472%0.72436%0.364SS*.THydrogen-bonded Turntrans-51.8-26.7-177.3-35.60000113.9G97 Q179T95-G97 VanDerWaalsContact C-N 3.34Å; T95-Q179 PolarHBondContact OG1-NE2 2.62Å; T95-Q179 VanDerWaalsContact OG1-NE2 3.16Å; T95-Q179 PolarHBondContact OG1-OE1 2.97Å
96N63.6Low74.7Confident91 Ų9163.1 Ų63.149%0.48735%0.353SS..THydrogen-bonded Turntrans-84.5-2.7179.360.316.9000114.2A94 S98A94-N96 WeakPolarHBondContact CB-OD1 3.25Å; A94-N96 PolarHBondContact O-N 2.87Å; N96-S98 PolarHBondContact ND2-OG 2.95Å; N96-S98 VanDerWaalsContact ND2-OG 3.16Å; N96-S98 PolarHBondContact O-N 2.96Å; N96-S98 PolarHBondContact OD1-N 3.29Å; N96-S98 VanDerWaalsContact OD1-N 3.13Å; N96-S98 PolarHBondContact OD1-OG 3.3Å
97G68.9Low75.5Confident38 Ų3867 Ų6739%0.39237%0.374SS..SBendtrans61.47.2-178.300000115A94 T95A94-G97 PolarHBondContact O-N 3.44Å; T95-G97 VanDerWaalsContact C-N 3.34Å
98S74.2Confident76.2Confident23 Ų2367.6 Ų67.616%0.16138%0.384CS..SBendtrans-90.8-19.8-176.2550000113.7N96 Q118 I119 R120N96-S98 PolarHBondContact ND2-OG 2.95Å; N96-S98 VanDerWaalsContact ND2-OG 3.16Å; N96-S98 PolarHBondContact O-N 2.96Å; N96-S98 PolarHBondContact OD1-N 3.29Å; N96-S98 VanDerWaalsContact OD1-N 3.13Å; N96-S98 PolarHBondContact OD1-OG 3.3Å; S98-Q118 CarbonylContact O-C 3.05Å; S98-Q118 VanDerWaalsContact O-CA 3.31Å; S98-Q118 WeakPolarHBondContact O-CA 3.38Å; S98-I119 PolarHBondContact O-N 3.13Å; S98-R120 VanDerWaalsContact CB-O 3.24Å; S98-R120 WeakPolarHBondContact CB-O 3.39Å; S98-R120 PolarHBondContact O-N 3.26Å
99S75.9Confident76.2Confident26 Ų2664.3 Ų64.318%0.18237%0.374CS..EExtended strand (participates in β ladder)trans-132.4141.1-178.954.40000111.7A94 A117A94-S99 WeakPolarHBondContact CB-OG 3.28Å; A94-S99 PolarHBondContact N-O 3.46Å; S99-A117 CarbonylContact C-O 3.58Å; S99-A117 VanDerWaalsContact CA-O 3.24Å; S99-A117 WeakPolarHBondContact CA-O 3.37Å
100V82.8Confident76.5Confident21 Ų2166.3 Ų66.313%0.12737%0.374CS..EExtended strand (participates in β ladder)trans-115.1130.6171.8-170.10000107.6F91 Q92 Q93 L116 A117 I119F91-V100 HydrophobicContact CB-CG1 3.88Å; F91-V100 HydrophobicContact CD1-CG1 3.91Å; F91-V100 HydrophobicContact CG-CG1 4.37Å; Q92-V100 CarbonylContact O-C 3.54Å; Q92-V100 WeakPolarHBondContact O-CA 3.46Å; Q93-V100 HydrophobicContact CG-CG2 4.19Å; V100-L116 CarbonylContact O-C 3.53Å; V100-L116 WeakPolarHBondContact O-CA 3.25Å; V100-A117 HydrophobicContact CB-CB 4.48Å; V100-A117 PolarHBondContact N-O 2.79Å; V100-A117 PolarHBondContact O-N 2.69Å; V100-I119 HydrophobicContact CG2-CD1 4.12Å
101L81.6Confident76.7Confident28 Ų2860.6 Ų60.615%0.14735%0.348CS..EExtended strand (participates in β ladder)trans-115.3134.7175.2179.364.6000109L86 Q92 I103 V114 F115 L116L86-L101 HydrophobicContact CD1-CD2 4.44Å; L86-L101 HydrophobicContact CD2-CD2 3.93Å; Q92-L101 PolarHBondContact N-O 2.88Å; Q92-L101 PolarHBondContact O-N 3.26Å; L101-I103 HydrophobicContact CD1-CG1 4.32Å; L101-I103 HydrophobicContact CD2-CD1 4.08Å; L101-I103 HydrophobicContact CG-CD1 4.26Å; L101-I103 HydrophobicContact CG-CG1 4.26Å; L101-V114 HydrophobicContact CD1-CG1 3.67Å; L101-F115 CarbonylContact C-O 3.55Å; L101-F115 WeakPolarHBondContact CA-O 3.25Å; L101-L116 HydrophobicContact CD1-CB 4.23Å; L101-L116 HydrophobicContact CD1-CD1 4.43Å
102F85.5Confident76.9Confident42 Ų4259.3 Ų59.318%0.18434%0.342CS..EExtended strand (participates in β ladder)trans-132137.1172.8172.8-86.7000108.8F91 E104 F115F91-F102 HydrophobicContact CD1-CB 3.56Å; F91-F102 AromaticContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CG 4.06Å; F91-F102 AromaticContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CE1-CB 3.57Å; F91-F102 AromaticContact CE1-CD2 3.77Å; F91-F102 HydrophobicContact CE1-CD2 3.77Å; F91-F102 AromaticContact CE1-CG 3.76Å; F91-F102 HydrophobicContact CE1-CG 3.76Å; F91-F102 AromaticContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CE2 4.13Å; F91-F102 HydrophobicContact CG-CB 4.33Å; F91-F102 HydrophobicContact CG-CD2 4Å; F91-F102 HydrophobicContact CZ-CB 4.35Å; F91-F102 AromaticContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CE2 4.21Å; F91-F102 HydrophobicContact CZ-CG 4.05Å; F102-E104 HydrophobicContact CE1-CB 4.13Å; F102-F115 HydrophobicContact CB-CB 4.19Å; F102-F115 HydrophobicContact CB-CD1 4.37Å; F102-F115 HydrophobicContact CD1-CB 4.29Å; F102-F115 PolarHBondContact N-O 3.1Å; F102-F115 PolarHBondContact O-N 3.41Å
103I84Confident77.6Confident6 Ų659.8 Ų59.83%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-135.6122179.7-60.8167.5000107.1L86 G89 L101 S105 V106 F111 V114L86-I103 HydrophobicContact CB-CD1 4.15Å; L86-I103 HydrophobicContact CD1-CD1 3.66Å; L86-I103 HydrophobicContact CG-CD1 4.35Å; G89-I103 PolarHBondContact N-O 3.38Å; L101-I103 HydrophobicContact CD1-CG1 4.32Å; L101-I103 HydrophobicContact CD2-CD1 4.08Å; L101-I103 HydrophobicContact CG-CD1 4.26Å; L101-I103 HydrophobicContact CG-CG1 4.26Å; I103-S105 VanDerWaalsContact CG2-O 3.31Å; I103-S105 WeakPolarHBondContact CG2-O 3.39Å; I103-V106 HydrophobicContact CG2-CG2 3.71Å; I103-F111 HydrophobicContact CD1-CD1 3.96Å; I103-F111 HydrophobicContact CD1-CD2 4.2Å; I103-F111 HydrophobicContact CD1-CE1 4.19Å; I103-F111 HydrophobicContact CD1-CE2 4.4Å; I103-F111 HydrophobicContact CD1-CG 3.97Å; I103-F111 HydrophobicContact CD1-CZ 4.4Å; I103-F111 HydrophobicContact CG2-CB 3.83Å; I103-F111 HydrophobicContact CG2-CD1 4.14Å; I103-F111 HydrophobicContact CG2-CG 4.21Å; I103-V114 HydrophobicContact CG1-CG1 4.32Å; I103-V114 HydrophobicContact CG1-CG2 4.4Å
104E85.5Confident78.2Confident111 Ų11152.9 Ų52.952%0.51931%0.314SS..EExtended strand (participates in β ladder)trans-74.4-42.8-177.7-174.4170.916600112.3Q88 F102 K112 D113Q88-E104 WeakPolarHBondContact CG-O 3.46Å; Q88-E104 PolarHBondContact NE2-O 3.46Å; F102-E104 HydrophobicContact CE1-CB 4.13Å; E104-K112 PolarHBondContact N-O 2.91Å; E104-D113 HydrophobicContact CB-CB 3.89Å; E104-D113 PolarHBondContact N-O 2.97Å
105S81.3Confident79.3Confident34 Ų3454.4 Ų54.424%0.23831%0.314CS..EExtended strand (participates in β ladder)trans-141.4142.5176.566.10000112.9I103 F111 K112I103-S105 VanDerWaalsContact CG2-O 3.31Å; I103-S105 WeakPolarHBondContact CG2-O 3.39Å; S105-F111 WeakPolarHBondContact O-CA 3.4Å; S105-K112 PolarHBondContact N-O 2.86Å; S105-K112 PolarHBondContact O-N 3.47Å; S105-K112 WeakPolarHBondContact OG-CB 3.27Å
106V79.9Confident80.6Confident38 Ų3849.7 Ų49.723%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-122.3120.1178.8-177.90000106.9I103 D110 F111I103-V106 HydrophobicContact CG2-CG2 3.71Å; V106-D110 WeakPolarHBondContact CA-O 3.36Å; V106-F111 HydrophobicContact CB-CD1 4.38Å; V106-F111 HydrophobicContact CG1-CD1 3.99Å; V106-F111 HydrophobicContact CG1-CE1 3.95Å; V106-F111 HydrophobicContact CG2-CD1 3.95Å; V106-F111 HydrophobicContact CG2-CE1 4.31Å
107D77.3Confident81.7Confident120 Ų12045.8 Ų45.864%0.64227%0.265SS*.EExtended strand (participates in β ladder)trans-118.290.5174.2-1645.3000108.7S109 D110D107-S109 PolarHBondContact O-N 3.35Å; D107-D110 PolarHBondContact N-O 2.94Å; D107-D110 PolarHBondContact O-N 3.49Å; D107-D110 VanDerWaalsContact O-N 3.09Å
108G74.1Confident82.4Confident50 Ų5047.1 Ų47.152%0.51526%0.261SS..THydrogen-bonded Turntrans62.4-108.3-173.500000111.7M83M83-G108 WeakPolarHBondContact CB-O 3.32Å; M83-G108 WeakPolarHBondContact CG-O 3.38Å
109S75.1Confident82.5Confident50 Ų5051.3 Ų51.335%0.3528%0.281SS..THydrogen-bonded Turntrans-94.4-6.8-178.6-57.20000115.1M83 D107 H136 L137M83-S109 VanDerWaalsContact CE-OG 3.24Å; M83-S109 WeakPolarHBondContact CE-OG 3.22Å; D107-S109 PolarHBondContact O-N 3.35Å; S109-H136 WeakPolarHBondContact CB-CE1 3.29Å; S109-H136 PolarHBondContact O-ND1 2.95Å; S109-L137 PolarHBondContact O-N 2.85Å
110D82.9Confident82.3Confident85 Ų8558.7 Ų58.746%0.45530%0.304SS..EExtended strand (participates in β ladder)trans-103.6139.4-175.5-61.5-48.8000110.3V106 D107 G135 H136V106-D110 WeakPolarHBondContact CA-O 3.36Å; D107-D110 PolarHBondContact N-O 2.94Å; D107-D110 PolarHBondContact O-N 3.49Å; D107-D110 VanDerWaalsContact O-N 3.09Å; D110-G135 CarbonylContact C-O 3.55Å; D110-G135 WeakPolarHBondContact CA-O 2.88Å; D110-H136 IonicContact OD1-CE1 3.62Å; D110-H136 IonicContact OD1-CG 3.66Å; D110-H136 IonicContact OD1-ND1 2.7Å; D110-H136 PolarHBondContact OD1-ND1 3.28Å
111F83.2Confident81.4Confident3 Ų359.6 Ų59.61%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-112.2145.7176.5-49.6-46000108.8M83 L86 I103 S105 V106 V114 S134 G135 L137M83-F111 HydrophobicContact SD-CE1 4.09Å; M83-F111 HydrophobicContact SD-CZ 3.99Å; L86-F111 HydrophobicContact CD1-CE1 3.95Å; L86-F111 HydrophobicContact CD1-CE2 4.29Å; L86-F111 HydrophobicContact CD1-CZ 3.59Å; I103-F111 HydrophobicContact CD1-CD1 3.96Å; I103-F111 HydrophobicContact CD1-CD2 4.2Å; I103-F111 HydrophobicContact CD1-CE1 4.19Å; I103-F111 HydrophobicContact CD1-CE2 4.4Å; I103-F111 HydrophobicContact CD1-CG 3.97Å; I103-F111 HydrophobicContact CD1-CZ 4.4Å; I103-F111 HydrophobicContact CG2-CB 3.83Å; I103-F111 HydrophobicContact CG2-CD1 4.14Å; I103-F111 HydrophobicContact CG2-CG 4.21Å; S105-F111 WeakPolarHBondContact O-CA 3.4Å; V106-F111 HydrophobicContact CB-CD1 4.38Å; V106-F111 HydrophobicContact CG1-CD1 3.99Å; V106-F111 HydrophobicContact CG1-CE1 3.95Å; V106-F111 HydrophobicContact CG2-CD1 3.95Å; V106-F111 HydrophobicContact CG2-CE1 4.31Å; F111-V114 HydrophobicContact CB-CG2 3.61Å; F111-S134 CarbonylContact O-C 3.56Å; F111-S134 VanDerWaalsContact O-CA 3.23Å; F111-S134 WeakPolarHBondContact O-CA 3.29Å; F111-G135 PolarHBondContact N-O 2.96Å; F111-G135 PolarHBondContact O-N 3.3Å; F111-L137 HydrophobicContact CE2-CB 3.62Å; F111-L137 HydrophobicContact CZ-CB 3.56Å; F111-L137 HydrophobicContact CZ-CD2 4.3Å; F111-L137 HydrophobicContact CZ-CG 4.45Å
112K85.9Confident80.6Confident110 Ų11066.7 Ų66.748%0.47834%0.34SS..EExtended strand (participates in β ladder)trans-121.6145.7167.5-53.6179.1179.4172.90109.9E104 S105 D133E104-K112 PolarHBondContact N-O 2.91Å; S105-K112 PolarHBondContact N-O 2.86Å; S105-K112 PolarHBondContact O-N 3.47Å; S105-K112 WeakPolarHBondContact OG-CB 3.27Å; K112-D133 WeakPolarHBondContact CA-O 3.39Å
113D88.4Confident79.7Confident77 Ų7768.4 Ų68.441%0.41237%0.37SS..EExtended strand (participates in β ladder)trans53.970.4178.8-55.3-62.7000111.5E104 D133E104-D113 HydrophobicContact CB-CB 3.89Å; E104-D113 PolarHBondContact N-O 2.97Å; D113-D133 PolarHBondContact N-O 2.87Å
114V86.8Confident78.9Confident2 Ų276.3 Ų76.31%0.01241%0.412CS..EExtended strand (participates in β ladder)trans-91.1126.2-178.6-173.40000109.8L101 I103 F111 V131 A132 L149L101-V114 HydrophobicContact CD1-CG1 3.67Å; I103-V114 HydrophobicContact CG1-CG1 4.32Å; I103-V114 HydrophobicContact CG1-CG2 4.4Å; F111-V114 HydrophobicContact CB-CG2 3.61Å; V114-V131 WeakPolarHBondContact O-CA 3.41Å; V114-A132 PolarHBondContact N-O 2.96Å; V114-A132 PolarHBondContact O-N 3.12Å; V114-L149 HydrophobicContact CB-CD2 3.89Å; V114-L149 HydrophobicContact CG1-CD2 3.75Å; V114-L149 HydrophobicContact CG2-CD2 3.99Å
115F88.8Confident78.1Confident70 Ų7073.8 Ų73.831%0.30741%0.41SS..EExtended strand (participates in β ladder)trans-119.5118.2173.9176.7-87.7000109.8F91 L101 F102 A117 V129 V131F91-F115 HydrophobicContact CE1-CD1 4.22Å; F91-F115 HydrophobicContact CE1-CE1 4.45Å; L101-F115 CarbonylContact C-O 3.55Å; L101-F115 WeakPolarHBondContact CA-O 3.25Å; F102-F115 HydrophobicContact CB-CB 4.19Å; F102-F115 HydrophobicContact CB-CD1 4.37Å; F102-F115 HydrophobicContact CD1-CB 4.29Å; F102-F115 PolarHBondContact N-O 3.1Å; F102-F115 PolarHBondContact O-N 3.41Å; F115-A117 HydrophobicContact CE1-CB 3.65Å; F115-A117 HydrophobicContact CZ-CB 4Å; F115-V129 HydrophobicContact CD2-CG1 4.07Å; F115-V129 HydrophobicContact CE2-CG1 3.3Å; F115-V129 HydrophobicContact CZ-CG1 3.64Å; F115-V131 HydrophobicContact CD2-CG2 3.89Å; F115-V131 HydrophobicContact CE2-CG2 4.34Å
116L86.6Confident77.9Confident19 Ų1976.6 Ų76.610%0.09942%0.416CS..EExtended strand (participates in β ladder)trans-121.6117.6178-177.1157.8000109.7V100 L101 Q118 V129 V130V100-L116 CarbonylContact O-C 3.53Å; V100-L116 WeakPolarHBondContact O-CA 3.25Å; L101-L116 HydrophobicContact CD1-CB 4.23Å; L101-L116 HydrophobicContact CD1-CD1 4.43Å; L116-Q118 HydrophobicContact CD2-CG 3.77Å; L116-V129 CarbonylContact O-C 3.41Å; L116-V129 WeakPolarHBondContact O-CA 3.46Å; L116-V130 HydrophobicContact CB-CB 4.26Å; L116-V130 HydrophobicContact CD2-CG2 4.36Å; L116-V130 PolarHBondContact N-O 3.14Å; L116-V130 PolarHBondContact O-N 2.95Å
117A87.1Confident78.1Confident9 Ų976.8 Ų76.87%0.07442%0.417CS..EExtended strand (participates in β ladder)trans-114.4117.4178.500000111.2S99 V100 F115 I119 V129S99-A117 CarbonylContact C-O 3.58Å; S99-A117 VanDerWaalsContact CA-O 3.24Å; S99-A117 WeakPolarHBondContact CA-O 3.37Å; V100-A117 HydrophobicContact CB-CB 4.48Å; V100-A117 PolarHBondContact N-O 2.79Å; V100-A117 PolarHBondContact O-N 2.69Å; F115-A117 HydrophobicContact CE1-CB 3.65Å; F115-A117 HydrophobicContact CZ-CB 4Å; A117-I119 HydrophobicContact CB-CG1 4.49Å; A117-V129 HydrophobicContact CB-CG2 4.32Å
118Q83.6Confident78.6Confident66 Ų6671.1 Ų71.131%0.30839%0.388SS..EExtended strand (participates in β ladder)trans-96.697.8170.1-67.1-177.7-16.500109.6S98 L116 P127 S128S98-Q118 CarbonylContact O-C 3.05Å; S98-Q118 VanDerWaalsContact O-CA 3.31Å; S98-Q118 WeakPolarHBondContact O-CA 3.38Å; L116-Q118 HydrophobicContact CD2-CG 3.77Å; Q118-P127 WeakPolarHBondContact O-CA 3.34Å; Q118-S128 PolarHBondContact N-O 2.7Å; Q118-S128 PolarHBondContact O-N 3.42Å; Q118-S128 PolarHBondContact OE1-OG 2.88Å
119I77.3Confident79.4Confident111 Ų11171.1 Ų71.157%0.56938%0.377SS*.  trans-85.3-32.6-174.9-55.5174.7000111S98 V100 A117 P121S98-I119 PolarHBondContact O-N 3.13Å; V100-I119 HydrophobicContact CG2-CD1 4.12Å; A117-I119 HydrophobicContact CB-CG1 4.49Å; I119-P121 VanDerWaalsContact O-CD 3.29Å; I119-P121 WeakPolarHBondContact O-CD 3.35Å
120R69.9Low80.1Confident181 Ų18168.7 Ų68.768%0.68336%0.361SS*.SBendtrans-121.378.5-174.1-151.5177.9-55.4-85.8-3.2110.4S98S98-R120 VanDerWaalsContact CB-O 3.24Å; S98-R120 WeakPolarHBondContact CB-O 3.39Å; S98-R120 PolarHBondContact O-N 3.26Å
121P65.7Low80.6Confident39 Ų3967.4 Ų67.425%0.25336%0.356SS..  trans-61.9144.2178.625.6-34.2000110.9I119 A125 P127I119-P121 VanDerWaalsContact O-CD 3.29Å; I119-P121 WeakPolarHBondContact O-CD 3.35Å; P121-A125 HydrophobicContact CB-CB 3.62Å; P121-A125 WeakPolarHBondContact CB-O 3.16Å; P121-A125 WeakPolarHBondContact CG-O 3.31Å; P121-P127 HydrophobicContact CG-CG 4.39Å
122K63.4Low81Confident177 Ų17767.3 Ų67.377%0.7736%0.355SS*.SBendtrans-86.7133.3168.2-76-173.6177.3-178.40109.4
123G67.5Low81.2Confident79 Ų7966.6 Ų66.681%0.81436%0.357SS*.THydrogen-bonded Turntrans77.1-137.317700000113.1A125G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.48Å
124N66.2Low81.2Confident172 Ų17264.8 Ų64.892%0.9235%0.35SS*.THydrogen-bonded Turntrans-9011.2-175.5-157.535.3000113.6
125A68.6Low81.2Confident57 Ų5764.8 Ų64.847%0.47135%0.351SS..PPolyproline II helixtrans-74.7147177.100000110.2P121 G123P121-A125 HydrophobicContact CB-CB 3.62Å; P121-A125 WeakPolarHBondContact CB-O 3.16Å; P121-A125 WeakPolarHBondContact CG-O 3.31Å; G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.48Å
126R77.6Confident81.1Confident94 Ų9464.5 Ų64.536%0.35535%0.35SS..PPolyproline II helixtrans-90156.1173.5-69-176.2174-171.2-7.9109.9S128 D163R126-S128 PolarHBondContact O-N 3.44Å; R126-D163 IonicContact CZ-OD1 2.87Å; R126-D163 IonicContact CZ-OD2 3.44Å; R126-D163 PolarHBondContact NH1-O 3.19Å; R126-D163 IonicContact NH1-OD1 3.6Å; R126-D163 PolarHBondContact NH1-OD1 2.92Å; R126-D163 VanDerWaalsContact NH1-OD1 3.14Å; R126-D163 IonicContact NH1-OD2 3.51Å; R126-D163 PolarHBondContact NH1-OD2 3.27Å; R126-D163 IonicContact NH2-OD2 2.62Å; R126-D163 PolarHBondContact NH2-OD2 3.5Å
127P85.3Confident80.7Confident41 Ų4164.4 Ų64.427%0.26635%0.35SS..PPolyproline II helixtrans-53.1136.4169-22.734000109.2Q118 P121 G157 T158Q118-P127 WeakPolarHBondContact O-CA 3.34Å; P121-P127 HydrophobicContact CG-CG 4.39Å; P127-G157 PolarHBondContact O-N 3.48Å; P127-T158 HydrophobicContact CG-CG2 4.03Å
128S87.2Confident80.1Confident2 Ų266.9 Ų66.91%0.01436%0.364CS..EExtended strand (participates in β ladder)trans-134.4142.5-178.871.30000111.2Q118 R126 R154 F155Q118-S128 PolarHBondContact N-O 2.7Å; Q118-S128 PolarHBondContact O-N 3.42Å; Q118-S128 PolarHBondContact OE1-OG 2.88Å; R126-S128 PolarHBondContact O-N 3.44Å; S128-R154 PolarHBondContact OG-NH2 3.24Å; S128-F155 CarbonylContact C-O 3.42Å; S128-F155 VanDerWaalsContact CA-O 3.25Å; S128-F155 WeakPolarHBondContact CA-O 3.42Å
129V90.3Very high79.6Confident49 Ų4967.7 Ų67.730%0.29737%0.367SS..EExtended strand (participates in β ladder)trans-121.3124.2175.1-179.80000107F115 L116 A117 V131 R154 F155F115-V129 HydrophobicContact CD2-CG1 4.07Å; F115-V129 HydrophobicContact CE2-CG1 3.3Å; F115-V129 HydrophobicContact CZ-CG1 3.64Å; L116-V129 CarbonylContact O-C 3.41Å; L116-V129 WeakPolarHBondContact O-CA 3.46Å; A117-V129 HydrophobicContact CB-CG2 4.32Å; V129-V131 HydrophobicContact CG1-CG2 4.24Å; V129-R154 CarbonylContact O-C 3.51Å; V129-R154 WeakPolarHBondContact O-CA 3.01Å; V129-F155 PolarHBondContact N-O 3.43Å; V129-F155 PolarHBondContact O-N 3.39Å
130V89.9Confident79.3Confident0 Ų065.9 Ų65.90%036%0.359CS..EExtended strand (participates in β ladder)trans-112.3124.3178.4-177.40000107L116 L149 R154 F169 Y172L116-V130 HydrophobicContact CB-CB 4.26Å; L116-V130 HydrophobicContact CD2-CG2 4.36Å; L116-V130 PolarHBondContact N-O 3.14Å; L116-V130 PolarHBondContact O-N 2.95Å; V130-L149 HydrophobicContact CG1-CD1 3.72Å; V130-R154 HydrophobicContact CG2-CB 4.13Å; V130-R154 HydrophobicContact CG2-CG 3.76Å; V130-F169 HydrophobicContact CG1-CE1 3.73Å; V130-F169 HydrophobicContact CG1-CZ 3.56Å; V130-Y172 HydrophobicContact CG1-CD1 4.44Å; V130-Y172 HydrophobicContact CG1-CE1 4.5Å; V130-Y172 HydrophobicContact CG2-CE1 4.49Å
131V92.9Very high79.3Confident58 Ų5869.9 Ų69.935%0.35237%0.374SS..EExtended strand (participates in β ladder)trans-118.4132.4173.1-173.50000107.3V114 F115 V129 G152 T153 F155V114-V131 WeakPolarHBondContact O-CA 3.41Å; F115-V131 HydrophobicContact CD2-CG2 3.89Å; F115-V131 HydrophobicContact CE2-CG2 4.34Å; V129-V131 HydrophobicContact CG1-CG2 4.24Å; V131-G152 CarbonylContact O-C 3.54Å; V131-G152 WeakPolarHBondContact O-CA 3.36Å; V131-T153 PolarHBondContact N-O 2.71Å; V131-T153 PolarHBondContact O-N 3.4Å; V131-F155 HydrophobicContact CG2-CE2 4.47Å
132A91.9Very high79.4Confident1 Ų173.2 Ų73.21%0.00839%0.39CS..EExtended strand (participates in β ladder)trans-141.7144178.200000111.1V114 L149 F169V114-A132 PolarHBondContact N-O 2.96Å; V114-A132 PolarHBondContact O-N 3.12Å; A132-L149 HydrophobicContact CB-CB 3.73Å; A132-L149 HydrophobicContact CB-CD1 4.26Å; A132-L149 HydrophobicContact CB-CD2 4.3Å; A132-L149 HydrophobicContact CB-CG 4.31Å; A132-F169 HydrophobicContact CB-CE2 4.28Å; A132-F169 HydrophobicContact CB-CZ 4.2Å
133D90.4Very high79.5Confident95 Ų9565.4 Ų65.451%0.50836%0.359SS..EExtended strand (participates in β ladder)trans-72-36.7-176.8-65.3-15.2000111.3K112 D113 Q151K112-D133 WeakPolarHBondContact CA-O 3.39Å; D113-D133 PolarHBondContact N-O 2.87Å; D133-Q151 PolarHBondContact N-O 3.39Å
134S88.8Confident79.5Confident39 Ų3962.1 Ų62.127%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-140.7158.4176.859.50000112.2F111 N150F111-S134 CarbonylContact O-C 3.56Å; F111-S134 VanDerWaalsContact O-CA 3.23Å; F111-S134 WeakPolarHBondContact O-CA 3.29Å; S134-N150 PolarHBondContact N-O 2.9Å; S134-N150 PolarHBondContact O-N 3.48Å
135G87.1Confident79.6Confident2 Ų256 Ų562%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-150.4157.9173.200000111.6D110 F111 T148D110-G135 CarbonylContact C-O 3.55Å; D110-G135 WeakPolarHBondContact CA-O 2.88Å; F111-G135 PolarHBondContact N-O 2.96Å; F111-G135 PolarHBondContact O-N 3.3Å; G135-T148 CarbonylContact C-O 3.53Å; G135-T148 WeakPolarHBondContact CA-O 3.46Å
136H85Confident80Confident63 Ų6353.8 Ų53.829%0.29227%0.27SS..EExtended strand (participates in β ladder)trans-131.8133.7176.2-170.380.5000109.2S109 D110 T138 T148S109-H136 WeakPolarHBondContact CB-CE1 3.29Å; S109-H136 PolarHBondContact O-ND1 2.95Å; D110-H136 IonicContact OD1-CE1 3.62Å; D110-H136 IonicContact OD1-CG 3.66Å; D110-H136 IonicContact OD1-ND1 2.7Å; D110-H136 PolarHBondContact OD1-ND1 3.28Å; H136-T138 PolarHBondContact CD2-OG1 3.32Å; H136-T148 PolarHBondContact N-O 2.87Å; H136-T148 PolarHBondContact O-N 2.83Å
137L79Confident80.2Confident18 Ų1849.7 Ų49.79%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-96.9112.6174.3-175.576000109.7M83 S109 F111 Q145 V147M83-L137 HydrophobicContact CE-CB 3.72Å; M83-L137 HydrophobicContact CE-CD2 4.1Å; M83-L137 HydrophobicContact CE-CG 4.29Å; M83-L137 WeakPolarHBondContact CE-O 3.5Å; M83-L137 HydrophobicContact SD-CB 3.94Å; M83-L137 HydrophobicContact SD-CD2 3.78Å; M83-L137 HydrophobicContact SD-CG 4.44Å; S109-L137 PolarHBondContact O-N 2.85Å; F111-L137 HydrophobicContact CE2-CB 3.62Å; F111-L137 HydrophobicContact CZ-CB 3.56Å; F111-L137 HydrophobicContact CZ-CD2 4.3Å; F111-L137 HydrophobicContact CZ-CG 4.45Å; L137-Q145 HydrophobicContact CD1-CB 4.08Å; L137-V147 HydrophobicContact CD1-CG2 3.43Å; L137-V147 VanDerWaalsContact CD1-CG2 3.43Å
138T75.6Confident80.2Confident60 Ų6048.8 Ų48.837%0.36825%0.249SC..EExtended strand (participates in β ladder)trans-105.4132.2171.8-510000109.4H136 V146H136-T138 PolarHBondContact CD2-OG1 3.32Å; T138-V146 PolarHBondContact N-O 2.81Å; T138-V146 PolarHBondContact O-N 3.47Å
139Q72Confident80.3Confident83 Ų8348.8 Ų48.839%0.38825%0.249SC..EExtended strand (participates in β ladder)trans-93.3125.9169.7-167.7-175.46.900109.5A79 N80A79-Q139 PolarHBondContact O-NE2 3.09Å; N80-Q139 PolarHBondContact OD1-NE2 3.44Å; N80-Q139 PolarHBondContact OD1-OE1 3.42Å
140L70.8Confident80.3Confident74 Ų7449 Ų4939%0.38725%0.248SC..  trans-77.6161.2173.2-90.259.2000110.3D142 G143 S144 V146L140-D142 WeakPolarHBondContact CB-OD1 3.35Å; L140-D142 PolarHBondContact O-N 3.39Å; L140-D142 VanDerWaalsContact O-N 3.08Å; L140-G143 PolarHBondContact O-N 3Å; L140-S144 PolarHBondContact N-O 2.88Å; L140-V146 HydrophobicContact CD1-CB 4.05Å; L140-V146 HydrophobicContact CD1-CG2 3.46Å; L140-V146 VanDerWaalsContact CD1-CG2 3.46Å; L140-V146 HydrophobicContact CD2-CG2 4.26Å; L140-V146 HydrophobicContact CG-CG2 4.46Å
141R69.5Low80.3Confident265 Ų26555.1 Ų55.1100%128%0.277SS*.THydrogen-bonded Turntrans-60.2-18.4179.2-70.2-177.3172.1-177.1-2.4114.1G143R141-G143 VanDerWaalsContact C-N 3.31Å
142D68.7Low80.2Confident109 Ų10952.9 Ų52.958%0.58327%0.266SS*.THydrogen-bonded Turntrans-86.71.5175.964.6-3.9000113.2L140 S144L140-D142 WeakPolarHBondContact CB-OD1 3.35Å; L140-D142 PolarHBondContact O-N 3.39Å; L140-D142 VanDerWaalsContact O-N 3.08Å; D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 VanDerWaalsContact CG-OG 3.3Å; D142-S144 PolarHBondContact O-N 3.35Å; D142-S144 VanDerWaalsContact OD1-CB 3.26Å; D142-S144 WeakPolarHBondContact OD1-CB 3.44Å; D142-S144 PolarHBondContact OD1-N 2.88Å; D142-S144 PolarHBondContact OD1-OG 3.32Å; D142-S144 PolarHBondContact OD2-OG 3.48Å
143G64.5Low80.3Confident12 Ų1254.5 Ų54.512%0.12428%0.275CS..SBendtrans81.2-0.6-176.400000114.1L140 R141 H178L140-G143 PolarHBondContact O-N 3Å; R141-G143 VanDerWaalsContact C-N 3.31Å; G143-H178 PolarHBondContact O-ND1 3.34Å
144S67.9Low80.3Confident11 Ų1152.3 Ų52.38%0.07726%0.26CS..  trans-71.1141.5173.470.40000111.2L140 D142L140-S144 PolarHBondContact N-O 2.88Å; D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 VanDerWaalsContact CG-OG 3.3Å; D142-S144 PolarHBondContact O-N 3.35Å; D142-S144 VanDerWaalsContact OD1-CB 3.26Å; D142-S144 WeakPolarHBondContact OD1-CB 3.44Å; D142-S144 PolarHBondContact OD1-N 2.88Å; D142-S144 PolarHBondContact OD1-OG 3.32Å; D142-S144 PolarHBondContact OD2-OG 3.48Å
145Q68.9Low80.4Confident43 Ų4354.2 Ų54.220%0.20126%0.264CS..EExtended strand (participates in β ladder)trans-100.8121.8-179.5-75.1-176.3-600109P81 L137 I176P81-Q145 VanDerWaalsContact CG-NE2 3.33Å; L137-Q145 HydrophobicContact CD1-CB 4.08Å; Q145-I176 PolarHBondContact O-N 3.36Å; Q145-I176 VanDerWaalsContact O-O 3.13Å
146V77.2Confident80.5Confident10 Ų1055.8 Ų55.86%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-110116.9176.6178.70000107.9T138 L140 Q173 I175T138-V146 PolarHBondContact N-O 2.81Å; T138-V146 PolarHBondContact O-N 3.47Å; L140-V146 HydrophobicContact CD1-CB 4.05Å; L140-V146 HydrophobicContact CD1-CG2 3.46Å; L140-V146 VanDerWaalsContact CD1-CG2 3.46Å; L140-V146 HydrophobicContact CD2-CG2 4.26Å; L140-V146 HydrophobicContact CG-CG2 4.46Å; V146-Q173 HydrophobicContact CG1-CB 4.3Å; V146-I175 HydrophobicContact CG2-CG1 4.19Å; V146-I175 HydrophobicContact CG2-CG2 4.48Å
147V80.3Confident80.5Confident8 Ų853.2 Ų53.25%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-91.1117.4170.8178.20000107.3L137 L149 Q173 A174 I176L137-V147 HydrophobicContact CD1-CG2 3.43Å; L137-V147 VanDerWaalsContact CD1-CG2 3.43Å; V147-L149 HydrophobicContact CG1-CD2 3.61Å; V147-L149 HydrophobicContact CG1-CG 3.98Å; V147-Q173 WeakPolarHBondContact O-CA 3.47Å; V147-A174 PolarHBondContact N-O 3.25Å; V147-A174 PolarHBondContact O-N 3.25Å; V147-I176 HydrophobicContact CB-CD1 4.41Å; V147-I176 HydrophobicContact CG2-CD1 3.41Å; V147-I176 VanDerWaalsContact CG2-CD1 3.41Å; V147-I176 HydrophobicContact CG2-CG1 3.96Å
148T87.1Confident80.4Confident22 Ų2254.3 Ų54.314%0.13527%0.269CS..EExtended strand (participates in β ladder)trans-100.9114.2171.8-52.40000107.6G135 H136 Q173G135-T148 CarbonylContact C-O 3.53Å; G135-T148 WeakPolarHBondContact CA-O 3.46Å; H136-T148 PolarHBondContact N-O 2.87Å; H136-T148 PolarHBondContact O-N 2.83Å; T148-Q173 HydrophobicContact CG2-CG 3.87Å
149L88.4Confident80.4Confident2 Ų256.3 Ų56.31%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-97.4129.4175.4-58.5177.7000108.6V114 V130 A132 V147 F169 Y172V114-L149 HydrophobicContact CB-CD2 3.89Å; V114-L149 HydrophobicContact CG1-CD2 3.75Å; V114-L149 HydrophobicContact CG2-CD2 3.99Å; V130-L149 HydrophobicContact CG1-CD1 3.72Å; A132-L149 HydrophobicContact CB-CB 3.73Å; A132-L149 HydrophobicContact CB-CD1 4.26Å; A132-L149 HydrophobicContact CB-CD2 4.3Å; A132-L149 HydrophobicContact CB-CG 4.31Å; V147-L149 HydrophobicContact CG1-CD2 3.61Å; V147-L149 HydrophobicContact CG1-CG 3.98Å; L149-F169 HydrophobicContact CB-CE2 3.99Å; L149-F169 HydrophobicContact CB-CZ 4.45Å; L149-Y172 HydrophobicContact CD1-CD1 3.99Å; L149-Y172 HydrophobicContact CG-CD1 4.48Å; L149-Y172 PolarHBondContact N-O 3.5Å; L149-Y172 PolarHBondContact O-N 3.35Å
150N90.1Very high80.6Confident53 Ų5360.2 Ų60.228%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-108.4133.8-179.6-58.6-25000109.4S134 Q170 D171S134-N150 PolarHBondContact N-O 2.9Å; S134-N150 PolarHBondContact O-N 3.48Å; N150-Q170 CarbonylContact C-O 3.54Å; N150-Q170 VanDerWaalsContact CA-O 3.31Å; N150-Q170 WeakPolarHBondContact CA-O 3.46Å; N150-D171 PolarHBondContact OD1-OD1 3.26Å
151Q89.5Confident80.9Confident129 Ų12961.1 Ų61.160%0.60332%0.319SS*.EExtended strand (participates in β ladder)trans52.591.1178.6-64.2-178.2-36.100112.6D133 Q170D133-Q151 PolarHBondContact N-O 3.39Å; Q151-Q170 PolarHBondContact N-O 2.99Å
152G91.9Very high81.5Confident11 Ų1160.6 Ų60.611%0.11332%0.317CS..EExtended strand (participates in β ladder)trans-156.7175.5179.700000113.8V131 F169V131-G152 CarbonylContact O-C 3.54Å; V131-G152 WeakPolarHBondContact O-CA 3.36Å; G152-F169 VanDerWaalsContact C-CZ 3.5Å; G152-F169 VanDerWaalsContact CA-CZ 3.44Å; G152-F169 PolarHBondContact N-O 2.77Å; G152-F169 VanDerWaalsContact N-O 3.09Å; G152-F169 VanDerWaalsContact O-CD1 3.3Å; G152-F169 WeakPolarHBondContact O-CD1 3.28Å; G152-F169 WeakPolarHBondContact O-CE1 3.36Å; G152-F169 PolarHBondContact O-N 3.49Å
153T93.1Very high82.2Confident35 Ų3558.4 Ų58.422%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-126.1129.4-179.9-55.20000109.4V131 F155 I166 T167 D168V131-T153 PolarHBondContact N-O 2.71Å; V131-T153 PolarHBondContact O-N 3.4Å; T153-F155 HydrophobicContact CG2-CD1 4.27Å; T153-F155 HydrophobicContact CG2-CD2 4.33Å; T153-F155 HydrophobicContact CG2-CE1 3.69Å; T153-F155 HydrophobicContact CG2-CE2 3.77Å; T153-F155 HydrophobicContact CG2-CZ 3.41Å; T153-F155 VanDerWaalsContact CG2-CZ 3.41Å; T153-I166 HydrophobicContact CG2-CG2 3.44Å; T153-I166 VanDerWaalsContact CG2-CG2 3.44Å; T153-T167 WeakPolarHBondContact CA-O 3.46Å; T153-D168 WeakPolarHBondContact CB-OD1 3.46Å; T153-D168 VanDerWaalsContact CG2-OD1 3.24Å; T153-D168 WeakPolarHBondContact CG2-OD1 3.38Å; T153-D168 PolarHBondContact OG1-OD1 3.03Å
154R91.5Very high83.3Confident50 Ų5062.9 Ų62.919%0.18932%0.321CS..EExtended strand (participates in β ladder)trans-104116174.3178.8169-168.6-135.6-5.7109.7S128 V129 V130 E156 T167 F169S128-R154 PolarHBondContact OG-NH2 3.24Å; V129-R154 CarbonylContact O-C 3.51Å; V129-R154 WeakPolarHBondContact O-CA 3.01Å; V130-R154 HydrophobicContact CG2-CB 4.13Å; V130-R154 HydrophobicContact CG2-CG 3.76Å; R154-E156 HydrophobicContact CG-CG 4.12Å; R154-E156 IonicContact CZ-OE1 2.97Å; R154-E156 IonicContact NE-OE1 3.63Å; R154-E156 IonicContact NH1-OE1 3.82Å; R154-E156 PolarHBondContact NH1-OE1 3.19Å; R154-E156 IonicContact NH2-OE1 3.58Å; R154-E156 PolarHBondContact NH2-OE1 3.45Å; R154-T167 PolarHBondContact N-O 2.87Å; R154-T167 PolarHBondContact O-N 3.15Å; R154-F169 HydrophobicContact CB-CD1 4.23Å; R154-F169 HydrophobicContact CB-CE1 4.02Å
155F91Very high84.2Confident79 Ų7970 Ų7035%0.34635%0.346SS..EExtended strand (participates in β ladder)trans-96.9107.9173.9-54.9-81.8000109.2S128 V129 V131 T153 I166S128-F155 CarbonylContact C-O 3.42Å; S128-F155 VanDerWaalsContact CA-O 3.25Å; S128-F155 WeakPolarHBondContact CA-O 3.42Å; V129-F155 PolarHBondContact N-O 3.43Å; V129-F155 PolarHBondContact O-N 3.39Å; V131-F155 HydrophobicContact CG2-CE2 4.47Å; T153-F155 HydrophobicContact CG2-CD1 4.27Å; T153-F155 HydrophobicContact CG2-CD2 4.33Å; T153-F155 HydrophobicContact CG2-CE1 3.69Å; T153-F155 HydrophobicContact CG2-CE2 3.77Å; T153-F155 HydrophobicContact CG2-CZ 3.41Å; T153-F155 VanDerWaalsContact CG2-CZ 3.41Å; F155-I166 HydrophobicContact CD1-CD1 4.36Å; F155-I166 HydrophobicContact CD1-CG1 4.04Å; F155-I166 HydrophobicContact CD1-CG2 4.14Å; F155-I166 HydrophobicContact CE1-CD1 4.31Å; F155-I166 HydrophobicContact CE1-CG1 4.36Å; F155-I166 HydrophobicContact CE1-CG2 3.92Å
156E88.8Confident85.3Confident34 Ų3472.9 Ų72.916%0.15936%0.362CS..EExtended strand (participates in β ladder)trans-101.8126.9170-52.6-175.8157.500109.7R154 F164 R165R154-E156 HydrophobicContact CG-CG 4.12Å; R154-E156 IonicContact CZ-OE1 2.97Å; R154-E156 IonicContact NE-OE1 3.63Å; R154-E156 IonicContact NH1-OE1 3.82Å; R154-E156 PolarHBondContact NH1-OE1 3.19Å; R154-E156 IonicContact NH2-OE1 3.58Å; R154-E156 PolarHBondContact NH2-OE1 3.45Å; E156-F164 WeakPolarHBondContact O-CA 3.36Å; E156-R165 HydrophobicContact CB-CB 4.24Å; E156-R165 PolarHBondContact N-O 3.43Å; E156-R165 PolarHBondContact O-N 2.93Å; E156-R165 IonicContact OE2-NE 3.89Å
157G84.4Confident86Confident9 Ų975.4 Ų75.49%0.09338%0.377CS..  trans166.8171.9-179.500000113.2P127P127-G157 PolarHBondContact O-N 3.48Å
158T78.2Confident86.6Confident42 Ų4280.8 Ų80.826%0.25841%0.406SS..  trans-118.2135.2172.855.80000108P127 L160 L161P127-T158 HydrophobicContact CG-CG2 4.03Å; T158-L160 PolarHBondContact O-N 3.27Å; T158-L161 PolarHBondContact O-N 2.96Å
159A74.7Confident86.7Confident101 Ų10180.9 Ų80.984%0.83540%0.404SS*.THydrogen-bonded Turntrans-55.4-21.8-176.600000114.7
160L76.2Confident86.8Confident166 Ų16688.4 Ų88.487%0.86944%0.439SS*.THydrogen-bonded Turntrans-77.2-30.3177.1-79.8111.6000114.5T158T158-L160 PolarHBondContact O-N 3.27Å
161L77.5Confident86.8Confident93 Ų9391.2 Ų91.249%0.48746%0.455SS..SBendtrans-108131.2-175.4-62.9169.6000108.8T158 D163T158-L161 PolarHBondContact O-N 2.96Å; L161-D163 WeakPolarHBondContact CB-OD1 3.11Å; L161-D163 PolarHBondContact O-N 3.37Å
162R80.8Confident86.6Confident254 Ų25487.7 Ų87.796%0.95844%0.436SS*.SBendtrans-7924.9-179.5-66.3-177.3177.9167.5-1113.2
163D84.8Confident86.3Confident63 Ų6393.7 Ų93.734%0.33746%0.461SS..  trans-107.949.7-173.465.8-13000111.6R126 L161R126-D163 IonicContact CZ-OD1 2.87Å; R126-D163 IonicContact CZ-OD2 3.44Å; R126-D163 PolarHBondContact NH1-O 3.19Å; R126-D163 IonicContact NH1-OD1 3.6Å; R126-D163 PolarHBondContact NH1-OD1 2.92Å; R126-D163 VanDerWaalsContact NH1-OD1 3.14Å; R126-D163 IonicContact NH1-OD2 3.51Å; R126-D163 PolarHBondContact NH1-OD2 3.27Å; R126-D163 IonicContact NH2-OD2 2.62Å; R126-D163 PolarHBondContact NH2-OD2 3.5Å; L161-D163 WeakPolarHBondContact CB-OD1 3.11Å; L161-D163 PolarHBondContact O-N 3.37Å
164F86Confident85.4Confident106 Ų10693.1 Ų93.147%0.46546%0.46SS..  trans-67136.3177.1-76-90.8000111.3E156E156-F164 WeakPolarHBondContact O-CA 3.36Å
165R88.3Confident84.4Confident160 Ų16096.4 Ų96.460%0.60448%0.48SS*.EExtended strand (participates in β ladder)trans-102.3118.4165.7-61.7175.863.4159.6-1107.8E156E156-R165 HydrophobicContact CB-CB 4.24Å; E156-R165 PolarHBondContact N-O 3.43Å; E156-R165 PolarHBondContact O-N 2.93Å; E156-R165 IonicContact OE2-NE 3.89Å
166I91.1Very high83.1Confident104 Ų10496.2 Ų96.253%0.53348%0.482SS..EExtended strand (participates in β ladder)trans-105.7118.6177.5-52.2-179000106.4T153 F155T153-I166 HydrophobicContact CG2-CG2 3.44Å; T153-I166 VanDerWaalsContact CG2-CG2 3.44Å; F155-I166 HydrophobicContact CD1-CD1 4.36Å; F155-I166 HydrophobicContact CD1-CG1 4.04Å; F155-I166 HydrophobicContact CD1-CG2 4.14Å; F155-I166 HydrophobicContact CE1-CD1 4.31Å; F155-I166 HydrophobicContact CE1-CG1 4.36Å; F155-I166 HydrophobicContact CE1-CG2 3.92Å
167T91.4Very high81.4Confident63 Ų6396.9 Ų96.939%0.38750%0.498SS..EExtended strand (participates in β ladder)trans-117.9109.6178.4-49.80000108.7T153 R154T153-T167 WeakPolarHBondContact CA-O 3.46Å; R154-T167 PolarHBondContact N-O 2.87Å; R154-T167 PolarHBondContact O-N 3.15Å
168D92.8Very high79.7Confident121 Ų121100.5 Ų100.565%0.64751%0.512SS*.EExtended strand (participates in β ladder)trans-81.4128.6168.4-59.7-48.1000108.8T153T153-D168 WeakPolarHBondContact CB-OD1 3.46Å; T153-D168 VanDerWaalsContact CG2-OD1 3.24Å; T153-D168 WeakPolarHBondContact CG2-OD1 3.38Å; T153-D168 PolarHBondContact OG1-OD1 3.03Å
169F91.2Very high78.3Confident23 Ų23104.3 Ų104.310%0.10153%0.527CS..EExtended strand (participates in β ladder)trans-125.5143.1-17958.6-97.8000110.5V130 A132 L149 G152 R154 Y172V130-F169 HydrophobicContact CG1-CE1 3.73Å; V130-F169 HydrophobicContact CG1-CZ 3.56Å; A132-F169 HydrophobicContact CB-CE2 4.28Å; A132-F169 HydrophobicContact CB-CZ 4.2Å; L149-F169 HydrophobicContact CB-CE2 3.99Å; L149-F169 HydrophobicContact CB-CZ 4.45Å; G152-F169 VanDerWaalsContact C-CZ 3.5Å; G152-F169 VanDerWaalsContact CA-CZ 3.44Å; G152-F169 PolarHBondContact N-O 2.77Å; G152-F169 VanDerWaalsContact N-O 3.09Å; G152-F169 VanDerWaalsContact O-CD1 3.3Å; G152-F169 WeakPolarHBondContact O-CD1 3.28Å; G152-F169 WeakPolarHBondContact O-CE1 3.36Å; G152-F169 PolarHBondContact O-N 3.49Å; R154-F169 HydrophobicContact CB-CD1 4.23Å; R154-F169 HydrophobicContact CB-CE1 4.02Å; F169-Y172 HydrophobicContact CD2-CG 4.34Å; F169-Y172 HydrophobicContact CE1-CG 4.49Å; F169-Y172 HydrophobicContact CE2-CG 4.3Å; F169-Y172 HydrophobicContact CG-CG 4.43Å; F169-Y172 HydrophobicContact CZ-CG 4.37Å
170Q90.5Very high76.9Confident160 Ų160101.6 Ų101.675%0.74851%0.505SS*.EExtended strand (participates in β ladder)trans-84.6-50170.4-68-173.9-0.100110.2N150 Q151N150-Q170 CarbonylContact C-O 3.54Å; N150-Q170 VanDerWaalsContact CA-O 3.31Å; N150-Q170 WeakPolarHBondContact CA-O 3.46Å; Q151-Q170 PolarHBondContact N-O 2.99Å
171D88.3Confident75.6Confident113 Ų11396.8 Ų96.860%0.60448%0.483SS*.EExtended strand (participates in β ladder)trans-125.7122175.7-61.3-43.9000109.5N150N150-D171 PolarHBondContact OD1-OD1 3.26Å
172Y86.5Confident74.2Confident55 Ų5597.1 Ų97.122%0.21649%0.488CS..EExtended strand (participates in β ladder)trans-121.8107.6175.5-178.6-99.1000110.3V130 L149 F169 A174V130-Y172 HydrophobicContact CG1-CD1 4.44Å; V130-Y172 HydrophobicContact CG1-CE1 4.5Å; V130-Y172 HydrophobicContact CG2-CE1 4.49Å; L149-Y172 HydrophobicContact CD1-CD1 3.99Å; L149-Y172 HydrophobicContact CG-CD1 4.48Å; L149-Y172 PolarHBondContact N-O 3.5Å; L149-Y172 PolarHBondContact O-N 3.35Å; F169-Y172 HydrophobicContact CD2-CG 4.34Å; F169-Y172 HydrophobicContact CE1-CG 4.49Å; F169-Y172 HydrophobicContact CE2-CG 4.3Å; F169-Y172 HydrophobicContact CG-CG 4.43Å; F169-Y172 HydrophobicContact CZ-CG 4.37Å; Y172-A174 HydrophobicContact CD1-CB 4.45Å; Y172-A174 HydrophobicContact CE1-CB 3.92Å
173Q84.8Confident72.8Confident137 Ų13789 Ų8964%0.6446%0.463SS*.EExtended strand (participates in β ladder)trans-94.2118.2175.8-67.4-177.310.500109.9V146 V147 T148V146-Q173 HydrophobicContact CG1-CB 4.3Å; V147-Q173 WeakPolarHBondContact O-CA 3.47Å; T148-Q173 HydrophobicContact CG2-CG 3.87Å
174A74.8Confident71.2Confident22 Ų2290 Ų9018%0.18247%0.469CS..EExtended strand (participates in β ladder)trans-110.5121.3168.900000109V147 Y172 I176V147-A174 PolarHBondContact N-O 3.25Å; V147-A174 PolarHBondContact O-N 3.25Å; Y172-A174 HydrophobicContact CD1-CB 4.45Å; Y172-A174 HydrophobicContact CE1-CB 3.92Å; A174-I176 PolarHBondContact O-N 3.41Å
175I69.5Low69.6Low120 Ų12089.5 Ų89.562%0.61548%0.476SS*.EExtended strand (participates in β ladder)trans-77.5106.8169-51.2-179.3000106.5V146 G177V146-I175 HydrophobicContact CG2-CG1 4.19Å; V146-I175 HydrophobicContact CG2-CG2 4.48Å; I175-G177 PolarHBondContact O-N 3.27Å
176I64.2Low68.2Low74 Ų7486.1 Ų86.138%0.37947%0.47SS..EExtended strand (participates in β ladder)trans-75.889.7163.7-58.6-174.4000104.2Q145 V147 A174 H178Q145-I176 PolarHBondContact O-N 3.36Å; Q145-I176 VanDerWaalsContact O-O 3.13Å; V147-I176 HydrophobicContact CB-CD1 4.41Å; V147-I176 HydrophobicContact CG2-CD1 3.41Å; V147-I176 VanDerWaalsContact CG2-CD1 3.41Å; V147-I176 HydrophobicContact CG2-CG1 3.96Å; A174-I176 PolarHBondContact O-N 3.41Å; I176-H178 PolarHBondContact O-N 3.44Å
177G53.2Low66.9Low49 Ų4983.6 Ų83.651%0.50546%0.457SS..  trans-44.9127.7-175.400000109.8I175 Q179I175-G177 PolarHBondContact O-N 3.27Å; G177-Q179 PolarHBondContact O-N 3.25Å
178H48.4Very low65.8Low84 Ų8481.3 Ų81.339%0.38944%0.443SS..  trans-49.9104.7172.9-169.968.5000107G143 I176 A180G143-H178 PolarHBondContact O-ND1 3.34Å; I176-H178 PolarHBondContact O-N 3.44Å; H178-A180 WeakPolarHBondContact CD2-CA 3.36Å; H178-A180 PolarHBondContact CD2-N 3.07Å; H178-A180 VanDerWaalsContact NE2-CA 3.34Å; H178-A180 WeakPolarHBondContact NE2-CA 3.49Å; H178-A180 PolarHBondContact O-N 2.92Å
179Q49.7Very low64.7Low122 Ų12278.6 Ų78.657%0.5743%0.429SS*.  trans-69.390.1149.3-86.3174.363.800102.3T95 G177 V181T95-Q179 PolarHBondContact OG1-NE2 2.62Å; T95-Q179 VanDerWaalsContact OG1-NE2 3.16Å; T95-Q179 PolarHBondContact OG1-OE1 2.97Å; G177-Q179 PolarHBondContact O-N 3.25Å; Q179-V181 VanDerWaalsContact C-N 3.32Å; Q179-V181 PolarHBondContact O-N 3.1Å
180A45.2Very low63.7Low45 Ų4578.7 Ų78.737%0.37243%0.43SS..  trans-43.4117.615300000103.2H178 V182H178-A180 WeakPolarHBondContact CD2-CA 3.36Å; H178-A180 PolarHBondContact CD2-N 3.07Å; H178-A180 VanDerWaalsContact NE2-CA 3.34Å; H178-A180 WeakPolarHBondContact NE2-CA 3.49Å; H178-A180 PolarHBondContact O-N 2.92Å; A180-V182 HydrophobicContact CB-CG2 3.94Å; A180-V182 PolarHBondContact O-N 3.45Å
181V49.4Very low62.9Low65 Ų6572.7 Ų72.739%0.39440%0.402SS..  trans-63.282.3154.5-178.40000101.4A75 K78 Q179 L183A75-V181 HydrophobicContact CB-CB 4.42Å; K78-V181 HydrophobicContact CB-CG2 4.01Å; K78-V181 HydrophobicContact CD-CG2 3.53Å; K78-V181 HydrophobicContact CG-CG2 4.46Å; Q179-V181 VanDerWaalsContact C-N 3.32Å; Q179-V181 PolarHBondContact O-N 3.1Å; V181-L183 PolarHBondContact O-N 2.9Å
182V46.4Very low62.5Low99 Ų9970.1 Ų70.160%0.639%0.388SS*.  trans-56.3106.8167-174000099.6A180 D184 P185A180-V182 HydrophobicContact CB-CG2 3.94Å; A180-V182 PolarHBondContact O-N 3.45Å; V182-D184 WeakPolarHBondContact O-CA 3.31Å; V182-D184 PolarHBondContact O-N 2.79Å; V182-P185 HydrophobicContact CG1-CG 4.22Å
183L51.4Low61.9Low85 Ų8569.8 Ų69.845%0.44539%0.389SS..  trans-37104.2158.9-78.7148.9000103.2D71 V181 P185D71-L183 HydrophobicContact CB-CD2 3.82Å; V181-L183 PolarHBondContact O-N 2.9Å; L183-P185 WeakPolarHBondContact O-CD 3.46Å; L183-P185 WeakPolarHBondContact O-CG 3.36Å
184D53Low61.6Low84 Ų8473.2 Ų73.245%0.44940%0.396SS..  trans-57112.2-171-179.2-9.2000103.1V182 N186 D187V182-D184 WeakPolarHBondContact O-CA 3.31Å; V182-D184 PolarHBondContact O-N 2.79Å; D184-N186 PolarHBondContact O-N 2.99Å; D184-N186 VanDerWaalsContact OD1-CB 3.3Å; D184-N186 WeakPolarHBondContact OD1-CB 3.21Å; D184-N186 PolarHBondContact OD1-N 2.98Å; D184-N186 PolarHBondContact OD1-ND2 3.47Å; D184-N186 VanDerWaalsContact OD1-ND2 3.15Å; D184-D187 HydrophobicContact CB-CB 4.26Å; D184-D187 WeakPolarHBondContact O-CB 3.26Å; D184-D187 PolarHBondContact O-N 2.98Å
185P52Low61.8Low94 Ų9475.3 Ų75.361%0.6141%0.407SS*.THydrogen-bonded Turntrans-63.4-12.6-173.9-19.432.6000110.1V182 L183 M191V182-P185 HydrophobicContact CG1-CG 4.22Å; L183-P185 WeakPolarHBondContact O-CD 3.46Å; L183-P185 WeakPolarHBondContact O-CG 3.36Å; P185-M191 WeakPolarHBondContact O-CE 3.41Å
186N57.6Low62.2Low89 Ų8969.8 Ų69.848%0.47638%0.378SS..THydrogen-bonded Turntrans-100.211.3175-45.6-63.6000113.5D184 T188D184-N186 PolarHBondContact O-N 2.99Å; D184-N186 VanDerWaalsContact OD1-CB 3.3Å; D184-N186 WeakPolarHBondContact OD1-CB 3.21Å; D184-N186 PolarHBondContact OD1-N 2.98Å; D184-N186 PolarHBondContact OD1-ND2 3.47Å; D184-N186 VanDerWaalsContact OD1-ND2 3.15Å; N186-T188 PolarHBondContact O-N 3.46Å
187D65.5Low62.9Low51 Ų5174.8 Ų74.827%0.27339%0.393SS..  trans-7090.5167.6-163-16.5000108.5D184 D189 Q190D184-D187 HydrophobicContact CB-CB 4.26Å; D184-D187 WeakPolarHBondContact O-CB 3.26Å; D184-D187 PolarHBondContact O-N 2.98Å; D187-D189 PolarHBondContact O-N 3.4Å; D187-D189 VanDerWaalsContact O-N 3.13Å; D187-D189 WeakPolarHBondContact OD1-CB 3.45Å; D187-D189 PolarHBondContact OD1-N 2.72Å; D187-D189 VanDerWaalsContact OD1-N 3.1Å; D187-Q190 HydrophobicContact CB-CG 4.25Å; D187-Q190 PolarHBondContact O-N 2.9Å; D187-Q190 VanDerWaalsContact O-N 3.09Å
188T67.9Low64.3Low15 Ų1578.6 Ų78.69%0.09240%0.401CS..THydrogen-bonded Turntrans-62.3-19.5-177.650.50000112.3N186 Q190 M191 R203 A204N186-T188 PolarHBondContact O-N 3.46Å; T188-Q190 VanDerWaalsContact C-N 3.27Å; T188-Q190 PolarHBondContact O-N 3.08Å; T188-M191 HydrophobicContact CG2-CE 4.48Å; T188-M191 HydrophobicContact CG2-SD 4.29Å; T188-M191 PolarHBondContact O-N 2.77Å; T188-R203 HydrophobicContact CG2-CB 3.58Å; T188-A204 HydrophobicContact CG2-CB 4.11Å
189D68.9Low65.8Low64 Ų6476.7 Ų76.734%0.34240%0.396SS..THydrogen-bonded Turntrans-70.8-23.9178.2-67.5-14000111.5D187 R211 K259D187-D189 PolarHBondContact O-N 3.4Å; D187-D189 VanDerWaalsContact O-N 3.13Å; D187-D189 WeakPolarHBondContact OD1-CB 3.45Å; D187-D189 PolarHBondContact OD1-N 2.72Å; D187-D189 VanDerWaalsContact OD1-N 3.1Å; D189-R211 PolarHBondContact O-NH2 3.43Å; D189-K259 IonicContact OD1-NZ 3.14Å; D189-K259 PolarHBondContact OD1-NZ 2.99Å; D189-K259 IonicContact OD2-NZ 3.82Å
190Q70Confident67.1Low26 Ų2676.8 Ų76.812%0.12140%0.4CS..THydrogen-bonded Turntrans-85.8-17.8177.5-62.2178.124.600114.2R68 D71 D187 T188R68-Q190 HydrophobicContact CG-CB 4Å; R68-Q190 HydrophobicContact CG-CG 4.41Å; D71-Q190 VanDerWaalsContact OD2-CD 3.28Å; D71-Q190 WeakPolarHBondContact OD2-CG 3.44Å; D71-Q190 PolarHBondContact OD2-NE2 2.92Å; D187-Q190 HydrophobicContact CB-CG 4.25Å; D187-Q190 PolarHBondContact O-N 2.9Å; D187-Q190 VanDerWaalsContact O-N 3.09Å; T188-Q190 VanDerWaalsContact C-N 3.27Å; T188-Q190 PolarHBondContact O-N 3.08Å
191M74.2Confident68.8Low34 Ų3477.8 Ų77.817%0.16740%0.402CS..SBendtrans-69.5140-171.1-68.3-175.1179.600111.6P185 T188 L196 R211P185-M191 WeakPolarHBondContact O-CE 3.41Å; T188-M191 HydrophobicContact CG2-CE 4.48Å; T188-M191 HydrophobicContact CG2-SD 4.29Å; T188-M191 PolarHBondContact O-N 2.77Å; M191-L196 HydrophobicContact CB-CD1 4.45Å; M191-L196 HydrophobicContact CB-CD2 3.72Å; M191-L196 HydrophobicContact CB-CG 3.69Å; M191-L196 HydrophobicContact CG-CD2 4.41Å; M191-L196 HydrophobicContact SD-CD2 3.98Å; M191-R211 PolarHBondContact O-NH1 3.33Å; M191-R211 PolarHBondContact O-NH2 3.46Å
192D79.1Confident70.4Confident58 Ų5878 Ų7831%0.3140%0.4SS..  trans-66.9155.8171.2-77.1-16.8000110.2R68 R194 T195 L196R68-D192 IonicContact CZ-OD1 3.96Å; R68-D192 IonicContact NH2-OD1 2.81Å; R68-D192 PolarHBondContact NH2-OD1 3.33Å; R68-D192 IonicContact NH2-OD2 2.95Å; D192-R194 PolarHBondContact O-N 3.31Å; D192-R194 VanDerWaalsContact O-N 3.14Å; D192-T195 PolarHBondContact N-OG1 2.91Å; D192-T195 PolarHBondContact O-N 3.2Å; D192-T195 VanDerWaalsContact O-N 3.1Å; D192-T195 PolarHBondContact O-OG1 3.12Å; D192-L196 PolarHBondContact O-N 3.04Å
193M75.4Confident72.1Confident48 Ų4879.4 Ų79.424%0.23640%0.395CS..Hα-helixtrans-57.8-34.3-177.8-167.666.2-178.800112.8W197 L208 I212M193-W197 PolarHBondContact O-N 3.14Å; M193-W197 VanDerWaalsContact O-N 3.12Å; M193-L208 HydrophobicContact CE-CD1 3.39Å; M193-L208 HydrophobicContact CE-CG 3.92Å; M193-L208 HydrophobicContact SD-CD1 3.71Å; M193-I212 HydrophobicContact CE-CD1 4.08Å; M193-I212 HydrophobicContact CE-CG1 3.94Å
194R78.2Confident73.7Confident210 Ų21075.3 Ų75.379%0.79237%0.374SS*.Hα-helixtrans-69.8-39.6178.4-73.1-177.6-94.2-172.1-5.8112.4D192 W197 N198D192-R194 PolarHBondContact O-N 3.31Å; D192-R194 VanDerWaalsContact O-N 3.14Å; R194-W197 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-N 3.33Å
195T77.9Confident75.2Confident66 Ų6676 Ų7641%0.40537%0.37SS..Hα-helixtrans-71.5-37.3176.946.50000111D192 W197 N198 T199D192-T195 PolarHBondContact N-OG1 2.91Å; D192-T195 PolarHBondContact O-N 3.2Å; D192-T195 VanDerWaalsContact O-N 3.1Å; D192-T195 PolarHBondContact O-OG1 3.12Å; T195-W197 VanDerWaalsContact C-N 3.31Å; T195-W197 PolarHBondContact O-N 3.34Å; T195-N198 PolarHBondContact O-N 3.26Å; T195-T199 WeakPolarHBondContact O-CB 3.23Å; T195-T199 PolarHBondContact O-N 3.49Å; T195-T199 VanDerWaalsContact O-N 3.13Å; T195-T199 PolarHBondContact O-OG1 3.24Å
196L78.8Confident76.9Confident3 Ų371.5 Ų71.52%0.01634%0.341CS..Hα-helixtrans-61.6-37.8174-74.3173.4000112.6M191 D192 N198 T199 A204 E207 L208M191-L196 HydrophobicContact CB-CD1 4.45Å; M191-L196 HydrophobicContact CB-CD2 3.72Å; M191-L196 HydrophobicContact CB-CG 3.69Å; M191-L196 HydrophobicContact CG-CD2 4.41Å; M191-L196 HydrophobicContact SD-CD2 3.98Å; D192-L196 PolarHBondContact O-N 3.04Å; L196-N198 VanDerWaalsContact C-N 3.32Å; L196-N198 PolarHBondContact O-N 3.36Å; L196-T199 PolarHBondContact O-N 3.48Å; L196-A204 HydrophobicContact CD2-CB 3.89Å; L196-E207 HydrophobicContact CD1-CG 4.13Å; L196-E207 HydrophobicContact CD2-CB 4.41Å; L196-E207 HydrophobicContact CD2-CG 4.47Å; L196-L208 HydrophobicContact CB-CD1 3.74Å
197W79.5Confident78.2Confident180 Ų18067.5 Ų67.568%0.68232%0.319SS*.Hα-helixtrans-65.8-34.1178.3-168.8-85.1000113.1M193 R194 T195 L208M193-W197 PolarHBondContact O-N 3.14Å; M193-W197 VanDerWaalsContact O-N 3.12Å; R194-W197 PolarHBondContact O-N 2.83Å; T195-W197 VanDerWaalsContact C-N 3.31Å; T195-W197 PolarHBondContact O-N 3.34Å; W197-L208 HydrophobicContact CE3-CD1 4.16Å; W197-L208 HydrophobicContact CE3-CD2 3.9Å; W197-L208 HydrophobicContact CZ3-CD2 4.11Å
198N81.9Confident79.3Confident128 Ų12866 Ų6668%0.68431%0.311SS*.Hα-helixtrans-90.5-9.6-177.7-67.9-20.7000113.6R194 T195 L196R194-N198 PolarHBondContact O-N 3.33Å; T195-N198 PolarHBondContact O-N 3.26Å; L196-N198 VanDerWaalsContact C-N 3.32Å; L196-N198 PolarHBondContact O-N 3.36Å
199T79.8Confident80.4Confident44 Ų4465.7 Ų65.727%0.2731%0.309SS..  trans-97.8108.4-174.9-56.40000110.3T195 L196 T201 A204T195-T199 WeakPolarHBondContact O-CB 3.23Å; T195-T199 PolarHBondContact O-N 3.49Å; T195-T199 VanDerWaalsContact O-N 3.13Å; T195-T199 PolarHBondContact O-OG1 3.24Å; L196-T199 PolarHBondContact O-N 3.48Å; T199-T201 PolarHBondContact O-N 2.89Å; T199-A204 HydrophobicContact CG2-CB 3.95Å; T199-A204 WeakPolarHBondContact O-CB 3.47Å
200D77.6Confident81.4Confident125 Ų12563.4 Ų63.467%0.66830%0.296SS*.  trans-80.538.1-178.3-85.2-41.2000114.3R205D200-R205 IonicContact OD1-CZ 2.73Å; D200-R205 IonicContact OD1-NE 3.15Å; D200-R205 IonicContact OD1-NH2 2.6Å; D200-R205 PolarHBondContact OD1-NH2 3.01Å
201T81.3Confident82.3Confident65 Ų6562.3 Ų62.340%0.39929%0.291SS..  trans-97.2142.4174.9-54.90000110.3T199 R203 A204 R205T199-T201 PolarHBondContact O-N 2.89Å; T201-R203 HydrophobicContact CG2-CB 4.35Å; T201-R203 PolarHBondContact O-N 2.92Å; T201-A204 WeakPolarHBondContact O-CB 3.34Å; T201-A204 PolarHBondContact O-N 3.44Å; T201-R205 PolarHBondContact O-N 2.93Å
202D82Confident83.1Confident69 Ų6963.2 Ų63.237%0.36930%0.296SS..Hα-helixtrans-54.5-39.1179.9-66.4-26.9000112.9R205 A206 G265D202-R205 PolarHBondContact O-N 3Å; D202-A206 WeakPolarHBondContact O-CB 3.47Å; D202-A206 PolarHBondContact O-N 3.28Å; D202-G265 WeakPolarHBondContact OD2-CA 3.42Å
203R82.8Confident83.8Confident129 Ų12960.5 Ų60.549%0.48728%0.281SS..Hα-helixtrans-61.6-43.8174-68.6-174.3179.6122.80112.4T188 T201 A206 E207 G263T188-R203 HydrophobicContact CG2-CB 3.58Å; T201-R203 HydrophobicContact CG2-CB 4.35Å; T201-R203 PolarHBondContact O-N 2.92Å; R203-A206 PolarHBondContact O-N 3.38Å; R203-E207 PolarHBondContact O-N 3.2Å; R203-G263 WeakPolarHBondContact CG-O 3.43Å; R203-G263 PolarHBondContact NE-O 3.49Å
204A84.3Confident84.4Confident0 Ų058.4 Ų58.40%027%0.271CS..Hα-helixtrans-68.1-41.5-178.400000110.8T188 L196 T199 T201 E207 L208T188-A204 HydrophobicContact CG2-CB 4.11Å; L196-A204 HydrophobicContact CD2-CB 3.89Å; T199-A204 HydrophobicContact CG2-CB 3.95Å; T199-A204 WeakPolarHBondContact O-CB 3.47Å; T201-A204 WeakPolarHBondContact O-CB 3.34Å; T201-A204 PolarHBondContact O-N 3.44Å; A204-E207 PolarHBondContact O-N 2.84Å; A204-L208 WeakPolarHBondContact O-CB 3.22Å; A204-L208 PolarHBondContact O-N 3Å
205R84.8Confident85.1Confident97 Ų9750 Ų5037%0.36624%0.243SC..Hα-helixtrans-62.8-41173.3-67.2178.6178.7178.10.4111.9D200 T201 D202 N209 P269D200-R205 IonicContact OD1-CZ 2.73Å; D200-R205 IonicContact OD1-NE 3.15Å; D200-R205 IonicContact OD1-NH2 2.6Å; D200-R205 PolarHBondContact OD1-NH2 3.01Å; T201-R205 PolarHBondContact O-N 2.93Å; D202-R205 PolarHBondContact O-N 3Å; R205-N209 WeakPolarHBondContact O-CB 3.38Å; R205-N209 PolarHBondContact O-N 3.3Å; R205-N209 VanDerWaalsContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.47Å; R205-P269 HydrophobicContact CB-CG 4.03Å
206A87.1Confident85.8Confident1 Ų149.4 Ų49.41%0.00823%0.234CC..Hα-helixtrans-63.2-44.2176.800000111.9D202 R203 W210 P269D202-A206 WeakPolarHBondContact O-CB 3.47Å; D202-A206 PolarHBondContact O-N 3.28Å; R203-A206 PolarHBondContact O-N 3.38Å; A206-W210 VanDerWaalsContact O-CB 3.28Å; A206-W210 WeakPolarHBondContact O-CB 3.47Å; A206-W210 PolarHBondContact O-N 3.33Å; A206-P269 HydrophobicContact CB-CB 3.86Å; A206-P269 HydrophobicContact CB-CG 4Å
207E86.4Confident86.5Confident4 Ų449.3 Ų49.32%0.01923%0.234CC..Hα-helixtrans-69-41.5179.4-177.756.6-164.300112.2L196 R203 A204 N209 W210 R211 K259L196-E207 HydrophobicContact CD1-CG 4.13Å; L196-E207 HydrophobicContact CD2-CB 4.41Å; L196-E207 HydrophobicContact CD2-CG 4.47Å; R203-E207 PolarHBondContact O-N 3.2Å; A204-E207 PolarHBondContact O-N 2.84Å; E207-N209 PolarHBondContact O-N 3.27Å; E207-W210 WeakPolarHBondContact O-CB 3.46Å; E207-W210 PolarHBondContact O-N 3.01Å; E207-R211 WeakPolarHBondContact O-CB 3.41Å; E207-R211 VanDerWaalsContact O-CG 3.28Å; E207-R211 WeakPolarHBondContact O-CG 3.23Å; E207-R211 PolarHBondContact O-N 3.28Å; E207-R211 IonicContact OE1-CZ 2.72Å; E207-R211 IonicContact OE1-NE 3.54Å; E207-R211 PolarHBondContact OE1-NE 2.92Å; E207-R211 IonicContact OE1-NH2 3.51Å; E207-R211 PolarHBondContact OE1-NH2 3.38Å; E207-K259 WeakPolarHBondContact OE2-CE 3.43Å; E207-K259 IonicContact OE2-NZ 2.74Å; E207-K259 PolarHBondContact OE2-NZ 3.46Å
208L88.2Confident87.2Confident20 Ų2040.8 Ų40.811%0.10520%0.202CC..Hα-helixtrans-57-50.1174.5-171.296.4000111.6M193 L196 W197 A204 W210 R211 I212M193-L208 HydrophobicContact CE-CD1 3.39Å; M193-L208 HydrophobicContact CE-CG 3.92Å; M193-L208 HydrophobicContact SD-CD1 3.71Å; L196-L208 HydrophobicContact CB-CD1 3.74Å; W197-L208 HydrophobicContact CE3-CD1 4.16Å; W197-L208 HydrophobicContact CE3-CD2 3.9Å; W197-L208 HydrophobicContact CZ3-CD2 4.11Å; A204-L208 WeakPolarHBondContact O-CB 3.22Å; A204-L208 PolarHBondContact O-N 3Å; L208-W210 VanDerWaalsContact C-N 3.33Å; L208-W210 PolarHBondContact O-N 3.23Å; L208-R211 PolarHBondContact O-N 2.97Å; L208-I212 HydrophobicContact CD2-CD1 4.34Å; L208-I212 HydrophobicContact CG-CD1 4.22Å; L208-I212 WeakPolarHBondContact O-CG1 3.33Å; L208-I212 PolarHBondContact O-N 3.42Å; L208-I212 VanDerWaalsContact O-N 3.07Å
209N90.7Very high87.7Confident8 Ų837.6 Ų37.64%0.04318%0.182CC..Hα-helixtrans-66.7-35.4179.7-77.7-70.3000112.1R205 E207 T213 T270 M273 W274R205-N209 WeakPolarHBondContact O-CB 3.38Å; R205-N209 PolarHBondContact O-N 3.3Å; R205-N209 VanDerWaalsContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.47Å; E207-N209 PolarHBondContact O-N 3.27Å; N209-T213 WeakPolarHBondContact O-CB 3.46Å; N209-T213 PolarHBondContact O-N 3.21Å; N209-T213 PolarHBondContact O-OG1 2.92Å; N209-T270 PolarHBondContact ND2-OG1 3.12Å; N209-M273 HydrophobicContact CB-SD 3.47Å; N209-M273 WeakPolarHBondContact CB-SD 3.41Å; N209-W274 PolarHBondContact OD1-NE1 3.42Å
210W89.5Confident88.3Confident16 Ų1635.5 Ų35.56%0.06117%0.169CC..Hα-helixtrans-61.2-48.5173.5172-104.6000111.5L4 A206 E207 L208 I212 T213 L214 F252 Q255 K259 M273L4-W210 HydrophobicContact CD2-CH2 4.35Å; L4-W210 HydrophobicContact CD2-CZ2 4.05Å; A206-W210 VanDerWaalsContact O-CB 3.28Å; A206-W210 WeakPolarHBondContact O-CB 3.47Å; A206-W210 PolarHBondContact O-N 3.33Å; E207-W210 WeakPolarHBondContact O-CB 3.46Å; E207-W210 PolarHBondContact O-N 3.01Å; L208-W210 VanDerWaalsContact C-N 3.33Å; L208-W210 PolarHBondContact O-N 3.23Å; W210-I212 PolarHBondContact O-N 3.48Å; W210-T213 WeakPolarHBondContact O-CB 3.49Å; W210-T213 PolarHBondContact O-N 2.92Å; W210-L214 HydrophobicContact CZ2-CD1 4.39Å; W210-L214 HydrophobicContact CZ2-CD2 4.03Å; W210-L214 HydrophobicContact CZ2-CG 4.38Å; W210-L214 WeakPolarHBondContact O-CG 3.46Å; W210-L214 PolarHBondContact O-N 2.92Å; W210-F252 HydrophobicContact CH2-CD1 4.37Å; W210-Q255 HydrophobicContact CE3-CB 4.23Å; W210-Q255 HydrophobicContact CZ3-CB 3.62Å; W210-K259 HydrophobicContact CB-CD 4.16Å; W210-K259 HydrophobicContact CB-CG 4.48Å; W210-K259 HydrophobicContact CD2-CD 3.95Å; W210-K259 HydrophobicContact CE3-CB 4.19Å; W210-K259 HydrophobicContact CE3-CD 4.43Å; W210-K259 HydrophobicContact CG-CD 3.8Å; W210-M273 HydrophobicContact CB-CE 4.3Å
211R89.8Confident89.1Confident4 Ų429.7 Ų29.72%0.01514%0.138CC..Hα-helixtrans-58.8-45.3177.6-74.3-172.9-174-173.97.1112.6V59 D189 M191 E207 L208 L214V59-R211 HydrophobicContact CG1-CB 3.35Å; V59-R211 HydrophobicContact CG1-CG 3.45Å; V59-R211 VanDerWaalsContact CG1-CG 3.45Å; D189-R211 PolarHBondContact O-NH2 3.43Å; M191-R211 PolarHBondContact O-NH1 3.33Å; M191-R211 PolarHBondContact O-NH2 3.46Å; E207-R211 WeakPolarHBondContact O-CB 3.41Å; E207-R211 VanDerWaalsContact O-CG 3.28Å; E207-R211 WeakPolarHBondContact O-CG 3.23Å; E207-R211 PolarHBondContact O-N 3.28Å; E207-R211 IonicContact OE1-CZ 2.72Å; E207-R211 IonicContact OE1-NE 3.54Å; E207-R211 PolarHBondContact OE1-NE 2.92Å; E207-R211 IonicContact OE1-NH2 3.51Å; E207-R211 PolarHBondContact OE1-NH2 3.38Å; L208-R211 PolarHBondContact O-N 2.97Å; R211-L214 PolarHBondContact O-N 2.86Å
212I91Very high89.6Confident53 Ų5326.7 Ų26.727%0.27212%0.12SC..Hα-helixtrans-65.3-43176.2-65.6167.4000110.6M193 L208 W210 L214 V215 F216 W274M193-I212 HydrophobicContact CE-CD1 4.08Å; M193-I212 HydrophobicContact CE-CG1 3.94Å; L208-I212 HydrophobicContact CD2-CD1 4.34Å; L208-I212 HydrophobicContact CG-CD1 4.22Å; L208-I212 WeakPolarHBondContact O-CG1 3.33Å; L208-I212 PolarHBondContact O-N 3.42Å; L208-I212 VanDerWaalsContact O-N 3.07Å; W210-I212 PolarHBondContact O-N 3.48Å; I212-L214 VanDerWaalsContact C-N 3.31Å; I212-L214 PolarHBondContact O-N 3.1Å; I212-V215 PolarHBondContact O-N 3.4Å; I212-F216 WeakPolarHBondContact O-CB 3.13Å; I212-F216 PolarHBondContact O-N 3.26Å; I212-W274 HydrophobicContact CG2-CH2 4.32Å; I212-W274 HydrophobicContact CG2-CZ2 3.88Å
213T92.5Very high90.1Very high1 Ų124.8 Ų24.81%0.00611%0.109CC..Hα-helixtrans-60.3-40.3178.5-65.70000111.6N209 W210 V215 F216 T217 F251 Q255 N277N209-T213 WeakPolarHBondContact O-CB 3.46Å; N209-T213 PolarHBondContact O-N 3.21Å; N209-T213 PolarHBondContact O-OG1 2.92Å; W210-T213 WeakPolarHBondContact O-CB 3.49Å; W210-T213 PolarHBondContact O-N 2.92Å; T213-V215 VanDerWaalsContact C-N 3.33Å; T213-V215 PolarHBondContact O-N 2.86Å; T213-F216 PolarHBondContact O-N 3.4Å; T213-T217 VanDerWaalsContact O-CB 3.32Å; T213-T217 WeakPolarHBondContact O-CB 3.28Å; T213-T217 PolarHBondContact O-N 3.32Å; T213-T217 PolarHBondContact O-OG1 2.76Å; T213-F251 HydrophobicContact CG2-CE1 4.47Å; T213-F251 HydrophobicContact CG2-CZ 3.93Å; T213-Q255 HydrophobicContact CG2-CG 4.19Å; T213-N277 WeakPolarHBondContact CG2-ND2 3.4Å; T213-N277 WeakPolarHBondContact CG2-OD1 3.26Å; T213-N277 PolarHBondContact OG1-ND2 2.93Å
214L89.8Confident90.6Very high4 Ų418.8 Ų18.82%0.0219%0.087CC..Hα-helixtrans-58.9-42.6177.7-75172.6000112.7Q3 V59 W210 R211 I212 F252Q3-L214 HydrophobicContact CB-CD1 3.92Å; Q3-L214 HydrophobicContact CG-CD1 4.31Å; V59-L214 HydrophobicContact CG2-CD1 4.26Å; W210-L214 HydrophobicContact CZ2-CD1 4.39Å; W210-L214 HydrophobicContact CZ2-CD2 4.03Å; W210-L214 HydrophobicContact CZ2-CG 4.38Å; W210-L214 WeakPolarHBondContact O-CG 3.46Å; W210-L214 PolarHBondContact O-N 2.92Å; R211-L214 PolarHBondContact O-N 2.86Å; I212-L214 VanDerWaalsContact C-N 3.31Å; I212-L214 PolarHBondContact O-N 3.1Å; L214-F252 HydrophobicContact CD2-CE1 3.91Å; L214-F252 HydrophobicContact CD2-CZ 4.39Å
215V92.4Very high90.9Very high33 Ų3318.8 Ų18.820%0.29%0.087CC..Hα-helixtrans-68.7-43.3176.4-177.60000110.6A52 A56 I212 T213 T217 V218A52-V215 HydrophobicContact CB-CG1 4.27Å; A56-V215 HydrophobicContact CB-CG1 4.21Å; A56-V215 HydrophobicContact CB-CG2 4.01Å; I212-V215 PolarHBondContact O-N 3.4Å; T213-V215 VanDerWaalsContact C-N 3.33Å; T213-V215 PolarHBondContact O-N 2.86Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.84Å; V215-V218 WeakPolarHBondContact O-CB 3.26Å; V215-V218 PolarHBondContact O-N 3.39Å
216F93Very high91.2Very high53 Ų5314.2 Ų14.223%0.2327%0.07CC..Hα-helixtrans-63.4-35.4178.1-172.3-105.7000112.9I212 T213 V218 F219 M220 N277 L281I212-F216 WeakPolarHBondContact O-CB 3.13Å; I212-F216 PolarHBondContact O-N 3.26Å; T213-F216 PolarHBondContact O-N 3.4Å; F216-V218 PolarHBondContact O-N 3.21Å; F216-F219 PolarHBondContact O-N 3.39Å; F216-F219 VanDerWaalsContact O-N 3.15Å; F216-M220 HydrophobicContact CD1-CE 3.75Å; F216-M220 HydrophobicContact CE1-CE 3.56Å; F216-M220 PolarHBondContact O-N 3.3Å; F216-M220 VanDerWaalsContact O-N 3.12Å; F216-N277 HydrophobicContact CD1-CB 4.05Å; F216-N277 HydrophobicContact CE1-CB 3.96Å; F216-L281 HydrophobicContact CZ-CD1 4.31Å; F216-L281 HydrophobicContact CZ-CD2 4.22Å
217T92.7Very high91.2Very high1 Ų115.2 Ų15.21%0.0068%0.076CC..Hα-helixtrans-59.5-34.3179.9-60.40000111.5P7 T213 V215 F219 M220 M221 F251 F252P7-T217 HydrophobicContact CB-CG2 4.34Å; T213-T217 VanDerWaalsContact O-CB 3.32Å; T213-T217 WeakPolarHBondContact O-CB 3.28Å; T213-T217 PolarHBondContact O-N 3.32Å; T213-T217 PolarHBondContact O-OG1 2.76Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.84Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.36Å; T217-M220 PolarHBondContact O-N 3.4Å; T217-M221 HydrophobicContact CG2-CE 4.13Å; T217-M221 HydrophobicContact CG2-CG 3.64Å; T217-M221 VanDerWaalsContact O-CB 3.27Å; T217-M221 WeakPolarHBondContact O-CB 3.25Å; T217-M221 VanDerWaalsContact O-CG 3.25Å; T217-M221 WeakPolarHBondContact O-CG 3.27Å; T217-M221 PolarHBondContact O-N 2.61Å; T217-F251 HydrophobicContact CG2-CD1 4.03Å; T217-F251 HydrophobicContact CG2-CE1 3.46Å; T217-F251 VanDerWaalsContact CG2-CE1 3.46Å; T217-F251 HydrophobicContact CG2-CZ 4.14Å; T217-F251 WeakPolarHBondContact OG1-CE1 3.37Å; T217-F251 VanDerWaalsContact OG1-CZ 3.29Å; T217-F251 WeakPolarHBondContact OG1-CZ 3.42Å; T217-F252 HydrophobicContact CG2-CE2 3.93Å; T217-F252 HydrophobicContact CG2-CZ 4.06Å
218V93.2Very high91.3Very high1 Ų116.8 Ų16.81%0.0068%0.084CC..Hα-helixtrans-57.5-46.8177.4-179.50000110.9P7 L10 A48 T51 A52 A55 V215 F216 A222P7-V218 HydrophobicContact CB-CG2 4.19Å; P7-V218 HydrophobicContact CG-CG2 3.97Å; L10-V218 HydrophobicContact CD2-CG1 3.56Å; A48-V218 HydrophobicContact CB-CG1 4.26Å; A48-V218 WeakPolarHBondContact O-CG1 3.24Å; T51-V218 HydrophobicContact CG2-CG1 3.92Å; A52-V218 HydrophobicContact CB-CB 4.24Å; A52-V218 HydrophobicContact CB-CG1 4.12Å; A55-V218 HydrophobicContact CB-CG2 4.29Å; V215-V218 WeakPolarHBondContact O-CB 3.26Å; V215-V218 PolarHBondContact O-N 3.39Å; F216-V218 PolarHBondContact O-N 3.21Å; V218-A222 VanDerWaalsContact O-CB 3.24Å; V218-A222 WeakPolarHBondContact O-CB 3.29Å; V218-A222 PolarHBondContact O-N 2.76Å; V218-A222 VanDerWaalsContact O-N 3.1Å
219F94Very high91.3Very high61 Ų6115.9 Ų15.927%0.2688%0.08SC..Hα-helixtrans-68.8-46.4178.5-65.8-71.8000112.3M45 A48 V49 A52 F216 T217 M221 A222 L223M45-F219 HydrophobicContact CE-CB 4.43Å; M45-F219 HydrophobicContact CE-CD1 3.6Å; M45-F219 HydrophobicContact CE-CE1 4.35Å; M45-F219 HydrophobicContact CE-CG 4.45Å; A48-F219 HydrophobicContact CB-CD1 3.88Å; A48-F219 HydrophobicContact CB-CE1 4.26Å; V49-F219 HydrophobicContact CB-CE1 4.47Å; V49-F219 HydrophobicContact CG2-CE1 3.77Å; V49-F219 HydrophobicContact CG2-CZ 4.36Å; A52-F219 HydrophobicContact CB-CD2 4.23Å; A52-F219 HydrophobicContact CB-CE1 4.25Å; A52-F219 HydrophobicContact CB-CE2 3.41Å; A52-F219 VanDerWaalsContact CB-CE2 3.41Å; A52-F219 HydrophobicContact CB-CZ 3.43Å; A52-F219 VanDerWaalsContact CB-CZ 3.43Å; F216-F219 PolarHBondContact O-N 3.39Å; F216-F219 VanDerWaalsContact O-N 3.15Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.36Å; F219-M221 PolarHBondContact O-N 2.99Å; F219-A222 PolarHBondContact O-N 3Å; F219-L223 WeakPolarHBondContact O-CB 3.34Å; F219-L223 PolarHBondContact O-N 3.47Å
220M92.5Very high90.9Very high1 Ų118.2 Ų18.21%0.0059%0.094CC..Hα-helixtrans-60.4-47.4-179.5178.4-154.7-71.900111.7F216 T217 L223 M224 F251 N277 Y280F216-M220 HydrophobicContact CD1-CE 3.75Å; F216-M220 HydrophobicContact CE1-CE 3.56Å; F216-M220 PolarHBondContact O-N 3.3Å; F216-M220 VanDerWaalsContact O-N 3.12Å; T217-M220 PolarHBondContact O-N 3.4Å; M220-L223 PolarHBondContact O-N 3.31Å; M220-M224 VanDerWaalsContact O-CB 3.32Å; M220-M224 WeakPolarHBondContact O-CB 3.39Å; M220-M224 PolarHBondContact O-N 3.41Å; M220-F251 HydrophobicContact CE-CE2 3.85Å; M220-F251 HydrophobicContact CE-CZ 4.19Å; M220-F251 HydrophobicContact SD-CD2 4.18Å; M220-F251 HydrophobicContact SD-CE2 3.73Å; M220-F251 HydrophobicContact SD-CZ 4.14Å; M220-N277 HydrophobicContact CE-CB 3.92Å; M220-N277 VanDerWaalsContact CE-O 3.3Å; M220-N277 WeakPolarHBondContact CE-O 3.26Å; M220-Y280 WeakPolarHBondContact SD-CB 3.5Å; M220-Y280 HydrophobicContact SD-CD1 4.24Å; M220-Y280 HydrophobicContact SD-CG 4.07Å
221M92.6Very high90.4Very high3 Ų317.9 Ų17.92%0.0159%0.094CC..Hα-helixtrans-69.4-37.2-179.3-67.9-62.2173.100111.8F11 T217 F219 L223 M224 V225 Y248 F251 Y280F11-M221 HydrophobicContact CD2-CB 4.02Å; T217-M221 HydrophobicContact CG2-CE 4.13Å; T217-M221 HydrophobicContact CG2-CG 3.64Å; T217-M221 VanDerWaalsContact O-CB 3.27Å; T217-M221 WeakPolarHBondContact O-CB 3.25Å; T217-M221 VanDerWaalsContact O-CG 3.25Å; T217-M221 WeakPolarHBondContact O-CG 3.27Å; T217-M221 PolarHBondContact O-N 2.61Å; F219-M221 PolarHBondContact O-N 2.99Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.92Å; M221-M224 PolarHBondContact O-N 3.25Å; M221-M224 HydrophobicContact SD-SD 4.49Å; M221-V225 WeakPolarHBondContact O-CB 3.48Å; M221-V225 PolarHBondContact O-N 2.85Å; M221-Y248 HydrophobicContact CE-CD2 4.06Å; M221-Y248 HydrophobicContact CG-CD2 3.95Å; M221-Y248 HydrophobicContact CG-CE2 4.11Å; M221-Y248 HydrophobicContact SD-CD2 3.74Å; M221-Y248 HydrophobicContact SD-CE2 4.47Å; M221-F251 HydrophobicContact CE-CB 3.57Å; M221-F251 HydrophobicContact CE-CD1 3.51Å; M221-F251 HydrophobicContact CE-CD2 4.12Å; M221-F251 HydrophobicContact CE-CE1 4.23Å; M221-F251 HydrophobicContact CE-CG 3.44Å; M221-F251 VanDerWaalsContact CE-CG 3.44Å; M221-Y280 HydrophobicContact CE-CD1 4.49Å
222A92.8Very high89.7Confident1 Ų121.8 Ų21.81%0.00812%0.115CC..Hα-helixtrans-64-34.717300000112.6L10 L14 A48 V218 F219 V225L10-A222 HydrophobicContact CD2-CB 4.12Å; L14-A222 HydrophobicContact CD1-CB 4.01Å; A48-A222 HydrophobicContact CB-CB 3.6Å; V218-A222 VanDerWaalsContact O-CB 3.24Å; V218-A222 WeakPolarHBondContact O-CB 3.29Å; V218-A222 PolarHBondContact O-N 2.76Å; V218-A222 VanDerWaalsContact O-N 3.1Å; F219-A222 PolarHBondContact O-N 3Å; A222-V225 WeakPolarHBondContact O-CG1 3.34Å
223L93.2Very high88.7Confident30 Ų3024.5 Ų24.516%0.15714%0.136CC..Hα-helixtrans-71.5-39.8173.9-175.163.8000111.7V41 F219 M220 M221 P227 L281 A284 I285 N288V41-L223 HydrophobicContact CG1-CD1 3.73Å; F219-L223 WeakPolarHBondContact O-CB 3.34Å; F219-L223 PolarHBondContact O-N 3.47Å; M220-L223 PolarHBondContact O-N 3.31Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.92Å; L223-P227 WeakPolarHBondContact O-CD 3.49Å; L223-L281 HydrophobicContact CD2-CD1 4.45Å; L223-A284 HydrophobicContact CB-CB 4.42Å; L223-A284 HydrophobicContact CD2-CB 4Å; L223-A284 HydrophobicContact CG-CB 4.12Å; L223-I285 HydrophobicContact CD2-CG1 4.24Å; L223-N288 PolarHBondContact O-ND2 3.05Å
224M91.6Very high87.6Confident2 Ų236.3 Ų36.31%0.0118%0.181CC..Hα-helixtrans-73.1-33.5-175.9-168.4169.7179.700113.3M220 M221 V226 P227 L228 L247 Y280 L283 A284M220-M224 VanDerWaalsContact O-CB 3.32Å; M220-M224 WeakPolarHBondContact O-CB 3.39Å; M220-M224 PolarHBondContact O-N 3.41Å; M221-M224 PolarHBondContact O-N 3.25Å; M221-M224 HydrophobicContact SD-SD 4.49Å; M224-V226 VanDerWaalsContact C-N 3.34Å; M224-V226 PolarHBondContact O-N 3.25Å; M224-P227 VanDerWaalsContact O-CD 3.3Å; M224-P227 WeakPolarHBondContact O-CD 3.34Å; M224-P227 WeakPolarHBondContact O-CG 3.13Å; M224-L228 HydrophobicContact CE-CD1 4.1Å; M224-L228 HydrophobicContact CG-CD1 3.86Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; M224-L247 HydrophobicContact CE-CB 3.68Å; M224-L247 HydrophobicContact CE-CD1 3.37Å; M224-L247 HydrophobicContact CE-CD2 4.06Å; M224-L247 HydrophobicContact CE-CG 3.87Å; M224-Y280 HydrophobicContact CE-CD1 4.36Å; M224-Y280 HydrophobicContact CE-CE1 4.41Å; M224-Y280 HydrophobicContact SD-CD1 3.99Å; M224-Y280 HydrophobicContact SD-CE1 4.44Å; M224-L283 HydrophobicContact CE-CD2 3.7Å; M224-L283 HydrophobicContact CE-CG 4.34Å; M224-A284 HydrophobicContact CB-CB 3.97Å; M224-A284 HydrophobicContact CG-CB 4.37Å
225V91.8Very high86.7Confident0 Ų040.8 Ų40.80%020%0.201CC..Hα-helixtrans-69-29.7-177.3760000113F11 L14 L15 M221 A222 L228 S229F11-V225 HydrophobicContact CD2-CB 3.93Å; F11-V225 HydrophobicContact CD2-CG2 4Å; F11-V225 HydrophobicContact CE2-CB 3.89Å; F11-V225 HydrophobicContact CE2-CG2 3.88Å; L14-V225 HydrophobicContact CB-CG1 3.66Å; L14-V225 HydrophobicContact CB-CG2 4.33Å; L14-V225 HydrophobicContact CD1-CG1 3.69Å; L14-V225 HydrophobicContact CG-CG1 4.31Å; L15-V225 HydrophobicContact CB-CG2 3.69Å; L15-V225 HydrophobicContact CD1-CG2 3.71Å; L15-V225 HydrophobicContact CG-CG2 4.26Å; M221-V225 WeakPolarHBondContact O-CB 3.48Å; M221-V225 PolarHBondContact O-N 2.85Å; A222-V225 WeakPolarHBondContact O-CG1 3.34Å; V225-L228 PolarHBondContact O-N 3.38Å; V225-S229 VanDerWaalsContact O-CB 3.28Å; V225-S229 WeakPolarHBondContact O-CB 3.32Å; V225-S229 PolarHBondContact O-N 3.22Å; V225-S229 PolarHBondContact O-OG 3.33Å
226V90.4Very high85.7Confident2 Ų241.6 Ų41.61%0.01222%0.217CC..Hα-helixtrans-57.5-55.1-176.9177.30000112.5L18 L40 V41 A44 M224 L228 S229L18-V226 HydrophobicContact CD1-CG2 4.32Å; L40-V226 HydrophobicContact CB-CG1 3.98Å; V41-V226 HydrophobicContact CG2-CB 4.25Å; V41-V226 HydrophobicContact CG2-CG1 3.83Å; V41-V226 HydrophobicContact CG2-CG2 4.31Å; A44-V226 HydrophobicContact CB-CG2 3.77Å; M224-V226 VanDerWaalsContact C-N 3.34Å; M224-V226 PolarHBondContact O-N 3.25Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 3.17Å; V226-S229 PolarHBondContact O-OG 2.99Å
227P88Confident84.9Confident22 Ų2245.2 Ų45.214%0.14323%0.229CC..Hα-helixtrans-70.4-28.2177.227.5-35.7000113.3L223 M224 S229 V230 L287L223-P227 WeakPolarHBondContact O-CD 3.49Å; M224-P227 VanDerWaalsContact O-CD 3.3Å; M224-P227 WeakPolarHBondContact O-CD 3.34Å; M224-P227 WeakPolarHBondContact O-CG 3.13Å; P227-S229 VanDerWaalsContact C-N 3.35Å; P227-V230 WeakPolarHBondContact O-CG2 3.22Å; P227-L287 HydrophobicContact CB-CB 4.25Å; P227-L287 HydrophobicContact CG-CB 3.8Å
228L88.6Confident84.3Confident36 Ų3650.1 Ų50.119%0.18826%0.259CS..Hα-helixtrans-81.3-13.1-178.5-66.6175.9000113.8M224 V225 V226 V230 A244 L247 L287M224-L228 HydrophobicContact CE-CD1 4.1Å; M224-L228 HydrophobicContact CG-CD1 3.86Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; V225-L228 PolarHBondContact O-N 3.38Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 3.17Å; L228-V230 PolarHBondContact O-N 3.28Å; L228-A244 HydrophobicContact CB-CB 3.96Å; L228-A244 HydrophobicContact CD1-CB 3.97Å; L228-L247 HydrophobicContact CD1-CD1 4.01Å; L228-L287 HydrophobicContact CD2-CD1 4.35Å; L228-L287 HydrophobicContact CG-CD1 4.45Å
229S86.5Confident83.9Confident1 Ų155.4 Ų55.41%0.00729%0.286CS..THydrogen-bonded Turntrans-78.8-1.8179.966.90000114.7L18 Y22 V225 V226 P227 V231L18-S229 WeakPolarHBondContact CB-OG 3.24Å; L18-S229 WeakPolarHBondContact CD1-OG 3.38Å; Y22-S229 WeakPolarHBondContact CD2-O 3.49Å; V225-S229 VanDerWaalsContact O-CB 3.28Å; V225-S229 WeakPolarHBondContact O-CB 3.32Å; V225-S229 PolarHBondContact O-N 3.22Å; V225-S229 PolarHBondContact O-OG 3.33Å; V226-S229 PolarHBondContact O-OG 2.99Å; P227-S229 VanDerWaalsContact C-N 3.35Å; S229-V231 PolarHBondContact O-N 3.43Å; S229-V231 VanDerWaalsContact O-N 3.13Å
230V83Confident83.1Confident58 Ų5853.3 Ų53.335%0.35228%0.279SS..  trans-70.2109.4179.3-175.90000109.3Y22 P227 L228Y22-V230 HydrophobicContact CE1-CG1 4.3Å; Y22-V230 HydrophobicContact CE1-CG2 4.16Å; Y22-V230 HydrophobicContact CE2-CG2 4Å; P227-V230 WeakPolarHBondContact O-CG2 3.22Å; L228-V230 PolarHBondContact O-N 3.28Å
231V79.9Confident82.9Confident8 Ų853.9 Ų53.95%0.04828%0.282CS..  trans-98.5126.1177.1-1780000109.1T23 S229T23-V231 HydrophobicContact CG2-CB 4.3Å; T23-V231 HydrophobicContact CG2-CG1 4.07Å; S229-V231 PolarHBondContact O-N 3.43Å; S229-V231 VanDerWaalsContact O-N 3.13Å
232N74.7Confident82.7Confident86 Ų8657.2 Ų57.246%0.4630%0.3SS..  trans-74.6126.5167.5-73.7-43.6000108.2R234 Q235N232-R234 PolarHBondContact O-N 2.92Å; N232-Q235 HydrophobicContact CB-CB 4.28Å; N232-Q235 HydrophobicContact CB-CG 4.25Å; N232-Q235 PolarHBondContact ND2-OE1 2.99Å; N232-Q235 PolarHBondContact O-N 3.15Å
233P68.7Low82.6Confident111 Ų11160.3 Ų60.372%0.72132%0.32SS*.THydrogen-bonded Turntrans-54.7-20.4-178.7-2834.6000114.8
234R71.1Confident82.5Confident249 Ų24959 Ų5994%0.9431%0.313SS*.THydrogen-bonded Turntrans-90.1-14-179.9-54.1178.6101.7169.75.4113.7N232N232-R234 PolarHBondContact O-N 2.92Å
235Q69.1Low82.5Confident97 Ų9762.1 Ų62.145%0.45333%0.329SS..SBendtrans-103.8128.8176-67.9174.6-500107.8N232 R237N232-Q235 HydrophobicContact CB-CB 4.28Å; N232-Q235 HydrophobicContact CB-CG 4.25Å; N232-Q235 PolarHBondContact ND2-OE1 2.99Å; N232-Q235 PolarHBondContact O-N 3.15Å; Q235-R237 PolarHBondContact O-N 3.05Å
236G72.1Confident82.6Confident51 Ų5166.9 Ų66.953%0.52635%0.353SS..  trans-53.2138.5-178.700000111.6V238 L239 S240G236-V238 PolarHBondContact O-N 3.24Å; G236-V238 VanDerWaalsContact O-N 3.08Å; G236-L239 WeakPolarHBondContact O-CB 3.47Å; G236-L239 PolarHBondContact O-N 3.4Å; G236-S240 PolarHBondContact O-N 2.88Å
237R76.4Confident82.8Confident128 Ų12868.9 Ų68.948%0.48336%0.364SS..Hα-helixtrans-45.8-45.7-174.9-175.7-176-66167.1-0.5113Q235 M241Q235-R237 PolarHBondContact O-N 3.05Å; R237-M241 HydrophobicContact CG-CE 3.48Å; R237-M241 VanDerWaalsContact CG-CE 3.48Å; R237-M241 HydrophobicContact CG-SD 4.17Å; R237-M241 VanDerWaalsContact O-CG 3.26Å; R237-M241 WeakPolarHBondContact O-CG 3.19Å; R237-M241 PolarHBondContact O-N 2.96Å
238V80.7Confident83Confident105 Ų10568.8 Ų68.864%0.63636%0.361SS*.Hα-helixtrans-67.6-37.1-178.4-179.60000112.2G236 M241 L242G236-V238 PolarHBondContact O-N 3.24Å; G236-V238 VanDerWaalsContact O-N 3.08Å; V238-M241 PolarHBondContact O-N 2.87Å; V238-L242 PolarHBondContact O-N 2.87Å; V238-L242 VanDerWaalsContact O-N 3.14Å
239L83.5Confident83.2Confident111 Ų11171.5 Ų71.558%0.58138%0.375SS*.Hα-helixtrans-68.9-38.3-178.8-174.461.7000111.3G236 M241 L242G236-L239 WeakPolarHBondContact O-CB 3.47Å; G236-L239 PolarHBondContact O-N 3.4Å; L239-M241 PolarHBondContact O-N 3.31Å; L239-L242 HydrophobicContact CD1-CD1 4.32Å; L239-L242 WeakPolarHBondContact O-CB 3.22Å; L239-L242 PolarHBondContact O-N 3.38Å
240S78.8Confident83.7Confident17 Ų1775.6 Ų75.612%0.11940%0.396CS..Hα-helixtrans-67.4-25.6174.3-59.40000112.9G236G236-S240 PolarHBondContact O-N 2.88Å
241M86.3Confident84.2Confident13 Ų1372.9 Ų72.96%0.06438%0.38CS..Hα-helixtrans-82.8-18.9177.4-69.8177.7-178.200113.4L15 R237 V238 L239 A244 M245L15-M241 HydrophobicContact CD1-CG 4.09Å; L15-M241 HydrophobicContact CD2-CB 3.7Å; L15-M241 HydrophobicContact CD2-CG 3.72Å; L15-M241 HydrophobicContact CD2-SD 4.11Å; L15-M241 HydrophobicContact CG-CB 4.23Å; L15-M241 HydrophobicContact CG-CE 4.25Å; L15-M241 HydrophobicContact CG-CG 3.68Å; L15-M241 HydrophobicContact CG-SD 3.97Å; L15-M241 WeakPolarHBondContact O-CE 3.16Å; R237-M241 HydrophobicContact CG-CE 3.48Å; R237-M241 VanDerWaalsContact CG-CE 3.48Å; R237-M241 HydrophobicContact CG-SD 4.17Å; R237-M241 VanDerWaalsContact O-CG 3.26Å; R237-M241 WeakPolarHBondContact O-CG 3.19Å; R237-M241 PolarHBondContact O-N 2.96Å; V238-M241 PolarHBondContact O-N 2.87Å; L239-M241 PolarHBondContact O-N 3.31Å; M241-A244 WeakPolarHBondContact O-CB 3.2Å; M241-A244 PolarHBondContact O-N 3.03Å; M241-A244 VanDerWaalsContact O-N 3.12Å; M241-M245 HydrophobicContact CB-CE 4.13Å; M241-M245 PolarHBondContact O-N 3.17Å
242L89.8Confident84.8Confident73 Ų7373.4 Ų73.438%0.38238%0.381SS..Hα-helixtrans-57.4-44.4-173.5-165.3155.3000113.6V238 L239 A244 M245 L246V238-L242 PolarHBondContact O-N 2.87Å; V238-L242 VanDerWaalsContact O-N 3.14Å; L239-L242 HydrophobicContact CD1-CD1 4.32Å; L239-L242 WeakPolarHBondContact O-CB 3.22Å; L239-L242 PolarHBondContact O-N 3.38Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.43Å; L242-M245 HydrophobicContact CB-CE 4.37Å; L242-M245 PolarHBondContact O-N 3.13Å; L242-L246 HydrophobicContact CD2-CD1 3.42Å; L242-L246 VanDerWaalsContact CD2-CD1 3.42Å; L242-L246 HydrophobicContact CD2-CG 3.8Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 3.08Å
243P89.5Confident85.8Confident67 Ų6774.3 Ų74.344%0.43539%0.385SS..Hα-helixtrans-60.5-38.2176.8-23.134.4000112.7L246 L247P243-L246 PolarHBondContact O-N 3.24Å; P243-L247 WeakPolarHBondContact O-CD1 3.38Å; P243-L247 VanDerWaalsContact O-CG 3.3Å; P243-L247 WeakPolarHBondContact O-CG 3.42Å; P243-L247 PolarHBondContact O-N 3.46Å
244A91.4Very high87Confident1 Ų171.8 Ų71.81%0.00837%0.366CS..Hα-helixtrans-66.7-45.7178.200000110.8F11 L15 L228 M241 L242 L246 L247 Y248F11-A244 HydrophobicContact CZ-CB 3.71Å; F11-A244 WeakPolarHBondContact CZ-O 3.3Å; L15-A244 HydrophobicContact CD1-CB 4.12Å; L15-A244 HydrophobicContact CD2-CB 4.22Å; L228-A244 HydrophobicContact CB-CB 3.96Å; L228-A244 HydrophobicContact CD1-CB 3.97Å; M241-A244 WeakPolarHBondContact O-CB 3.2Å; M241-A244 PolarHBondContact O-N 3.03Å; M241-A244 VanDerWaalsContact O-N 3.12Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.43Å; A244-L246 PolarHBondContact O-N 3.02Å; A244-L247 PolarHBondContact O-N 2.91Å; A244-Y248 PolarHBondContact O-N 3.44Å
245M92.3Very high88.1Confident69 Ų6960 Ų6034%0.3432%0.321SS..Hα-helixtrans-62.4-40.8176.9-67.1-173.1-68.800112.3L12 L15 M241 L242 Y248 L249L12-M245 HydrophobicContact CD2-CG 4.44Å; L12-M245 HydrophobicContact CD2-SD 4.49Å; L15-M245 HydrophobicContact CD2-CG 4.39Å; M241-M245 HydrophobicContact CB-CE 4.13Å; M241-M245 PolarHBondContact O-N 3.17Å; L242-M245 HydrophobicContact CB-CE 4.37Å; L242-M245 PolarHBondContact O-N 3.13Å; M245-Y248 PolarHBondContact O-N 2.79Å; M245-L249 WeakPolarHBondContact O-CB 3.2Å; M245-L249 PolarHBondContact O-N 2.92Å
246L94Very high89.1Confident100 Ų10058.8 Ų58.852%0.52432%0.32SS..Hα-helixtrans-64.3-41175.7-75.1-177.6000112.3L242 P243 A244 Y248 L249 L250L242-L246 HydrophobicContact CD2-CD1 3.42Å; L242-L246 VanDerWaalsContact CD2-CD1 3.42Å; L242-L246 HydrophobicContact CD2-CG 3.8Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 3.08Å; P243-L246 PolarHBondContact O-N 3.24Å; A244-L246 PolarHBondContact O-N 3.02Å; L246-Y248 VanDerWaalsContact C-N 3.34Å; L246-L249 PolarHBondContact O-N 3.13Å; L246-L250 VanDerWaalsContact O-CB 3.23Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 2.88Å
247L93.5Very high90.1Very high43 Ų4359.2 Ų59.223%0.22532%0.315CS..Hα-helixtrans-64.9-39.9176.7-74.4163.3000111.6M224 L228 P243 A244 F251 Y280 L283M224-L247 HydrophobicContact CE-CB 3.68Å; M224-L247 HydrophobicContact CE-CD1 3.37Å; M224-L247 HydrophobicContact CE-CD2 4.06Å; M224-L247 HydrophobicContact CE-CG 3.87Å; L228-L247 HydrophobicContact CD1-CD1 4.01Å; P243-L247 WeakPolarHBondContact O-CD1 3.38Å; P243-L247 VanDerWaalsContact O-CG 3.3Å; P243-L247 WeakPolarHBondContact O-CG 3.42Å; P243-L247 PolarHBondContact O-N 3.46Å; A244-L247 PolarHBondContact O-N 2.91Å; L247-F251 WeakPolarHBondContact O-CB 3.5Å; L247-F251 PolarHBondContact O-N 3.33Å; L247-Y280 PolarHBondContact O-OH 3.38Å; L247-L283 HydrophobicContact CD2-CD2 4.37Å
248Y93Very high90.9Very high20 Ų2054 Ų548%0.07830%0.297CS..Hα-helixtrans-61.9-48.9173.2-176-83.1000111.6L4 P7 L8 F11 M221 A244 M245 L246 L250 F251 F252L4-Y248 PolarHBondContact O-OH 2.84Å; P7-Y248 HydrophobicContact CB-CE2 4.45Å; L8-Y248 WeakPolarHBondContact CA-OH 3.24Å; L8-Y248 HydrophobicContact CB-CE1 4.23Å; L8-Y248 VanDerWaalsContact CB-OH 3.31Å; L8-Y248 WeakPolarHBondContact CB-OH 3.46Å; L8-Y248 HydrophobicContact CD1-CD1 3.98Å; L8-Y248 HydrophobicContact CD1-CE1 3.58Å; L8-Y248 HydrophobicContact CD1-CE2 4.45Å; L8-Y248 HydrophobicContact CG-CE1 4.4Å; L8-Y248 PolarHBondContact N-OH 3.44Å; L8-Y248 VanDerWaalsContact N-OH 3.09Å; F11-Y248 HydrophobicContact CB-CD2 4.26Å; F11-Y248 HydrophobicContact CB-CE2 4.22Å; F11-Y248 AromaticContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CG 4.19Å; F11-Y248 HydrophobicContact CD2-CD2 4.26Å; F11-Y248 HydrophobicContact CE1-CD2 4.3Å; F11-Y248 HydrophobicContact CE1-CG 4.26Å; F11-Y248 AromaticContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CE2 4.34Å; M221-Y248 HydrophobicContact CE-CD2 4.06Å; M221-Y248 HydrophobicContact CG-CD2 3.95Å; M221-Y248 HydrophobicContact CG-CE2 4.11Å; M221-Y248 HydrophobicContact SD-CD2 3.74Å; M221-Y248 HydrophobicContact SD-CE2 4.47Å; A244-Y248 PolarHBondContact O-N 3.44Å; M245-Y248 PolarHBondContact O-N 2.79Å; L246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 3.46Å; Y248-F251 WeakPolarHBondContact O-CB 3.46Å; Y248-F251 PolarHBondContact O-N 3.45Å; Y248-F252 AromaticContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CE2 4.28Å; Y248-F252 HydrophobicContact CD2-CD2 4.46Å; Y248-F252 HydrophobicContact CD2-CE2 4.24Å; Y248-F252 AromaticContact CE1-CD2 3.37Å; Y248-F252 HydrophobicContact CE1-CD2 3.37Å; Y248-F252 AromaticContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CG 4.29Å; Y248-F252 HydrophobicContact CE1-CZ 4.48Å; Y248-F252 HydrophobicContact CE2-CD2 4.06Å; Y248-F252 AromaticContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CE2 3.49Å; Y248-F252 VanDerWaalsContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CZ 4.47Å; Y248-F252 HydrophobicContact CG-CD2 4.37Å; Y248-F252 AromaticContact CZ-CD2 3.48Å; Y248-F252 VanDerWaalsContact CZ-CD2 3.48Å; Y248-F252 AromaticContact CZ-CE2 3.06Å; Y248-F252 AromaticContact CZ-CZ 3.9Å; Y248-F252 WeakPolarHBondContact O-CD2 3.43Å; Y248-F252 PolarHBondContact O-N 3.37Å; Y248-F252 VanDerWaalsContact O-N 3.12Å; Y248-F252 WeakPolarHBondContact OH-CE2 3.3Å; Y248-F252 WeakPolarHBondContact OH-CZ 3.37Å
249L93.8Very high91.3Very high93 Ų9351.3 Ų51.349%0.48728%0.277SS..Hα-helixtrans-60.9-46.1178.9178.962.8000111.4M245 L246 F251 F252 L253M245-L249 WeakPolarHBondContact O-CB 3.2Å; M245-L249 PolarHBondContact O-N 2.92Å; L246-L249 PolarHBondContact O-N 3.13Å; L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 2.98Å; L249-F252 PolarHBondContact O-N 2.94Å; L249-L253 HydrophobicContact CD1-CD1 4.13Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.28Å
250L95.6Very high91.4Very high87 Ų8748.7 Ų48.746%0.45527%0.268SS..Hα-helixtrans-60.5-42.7179.2-176.564.6000111.3L246 Y248 L253 I254L246-L250 VanDerWaalsContact O-CB 3.23Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 2.88Å; Y248-L250 PolarHBondContact O-N 3.46Å; L250-L253 PolarHBondContact O-N 3.49Å; L250-I254 HydrophobicContact CD1-CD1 3.98Å; L250-I254 HydrophobicContact CD1-CG1 4.31Å; L250-I254 HydrophobicContact CG-CD1 3.82Å; L250-I254 WeakPolarHBondContact O-CB 3.32Å; L250-I254 VanDerWaalsContact O-CG1 3.23Å; L250-I254 WeakPolarHBondContact O-CG1 3.46Å; L250-I254 PolarHBondContact O-N 2.88Å
251F94.4Very high91.9Very high1 Ų150.1 Ų50.10%0.00427%0.274CS..Hα-helixtrans-57.2-51.8175.2177.8-95.7000111.6T213 T217 M220 M221 L247 Y248 L249 L253 I254 Q255 V276 N277 Y280T213-F251 HydrophobicContact CG2-CE1 4.47Å; T213-F251 HydrophobicContact CG2-CZ 3.93Å; T217-F251 HydrophobicContact CG2-CD1 4.03Å; T217-F251 HydrophobicContact CG2-CE1 3.46Å; T217-F251 VanDerWaalsContact CG2-CE1 3.46Å; T217-F251 HydrophobicContact CG2-CZ 4.14Å; T217-F251 WeakPolarHBondContact OG1-CE1 3.37Å; T217-F251 VanDerWaalsContact OG1-CZ 3.29Å; T217-F251 WeakPolarHBondContact OG1-CZ 3.42Å; M220-F251 HydrophobicContact CE-CE2 3.85Å; M220-F251 HydrophobicContact CE-CZ 4.19Å; M220-F251 HydrophobicContact SD-CD2 4.18Å; M220-F251 HydrophobicContact SD-CE2 3.73Å; M220-F251 HydrophobicContact SD-CZ 4.14Å; M221-F251 HydrophobicContact CE-CB 3.57Å; M221-F251 HydrophobicContact CE-CD1 3.51Å; M221-F251 HydrophobicContact CE-CD2 4.12Å; M221-F251 HydrophobicContact CE-CE1 4.23Å; M221-F251 HydrophobicContact CE-CG 3.44Å; M221-F251 VanDerWaalsContact CE-CG 3.44Å; L247-F251 WeakPolarHBondContact O-CB 3.5Å; L247-F251 PolarHBondContact O-N 3.33Å; Y248-F251 WeakPolarHBondContact O-CB 3.46Å; Y248-F251 PolarHBondContact O-N 3.45Å; L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 2.98Å; F251-L253 PolarHBondContact O-N 3.12Å; F251-I254 PolarHBondContact O-N 3.2Å; F251-Q255 HydrophobicContact CD1-CG 4.26Å; F251-Q255 HydrophobicContact CD2-CG 4.33Å; F251-Q255 HydrophobicContact CE1-CG 3.84Å; F251-Q255 HydrophobicContact CE2-CG 3.94Å; F251-Q255 HydrophobicContact CG-CG 4.49Å; F251-Q255 HydrophobicContact CZ-CG 3.69Å; F251-Q255 WeakPolarHBondContact O-CB 3.31Å; F251-Q255 WeakPolarHBondContact O-CG 3.41Å; F251-Q255 PolarHBondContact O-N 3.01Å; F251-V276 HydrophobicContact CD2-CG1 4.17Å; F251-V276 HydrophobicContact CE2-CG1 4.17Å; F251-N277 WeakPolarHBondContact CE2-OD1 3.47Å; F251-N277 WeakPolarHBondContact CZ-OD1 3.39Å; F251-Y280 HydrophobicContact CB-CD1 4.29Å; F251-Y280 HydrophobicContact CB-CE1 3.67Å; F251-Y280 HydrophobicContact CB-CE2 4.32Å; F251-Y280 AromaticContact CD2-CD1 3.87Å; F251-Y280 HydrophobicContact CD2-CD1 3.87Å; F251-Y280 AromaticContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CE1 4.02Å; F251-Y280 AromaticContact CD2-CE2 3.91Å; F251-Y280 HydrophobicContact CD2-CE2 3.91Å; F251-Y280 AromaticContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CE2-CD2 4.44Å; F251-Y280 HydrophobicContact CE2-CG 4.33Å; F251-Y280 HydrophobicContact CG-CD1 4.42Å; F251-Y280 HydrophobicContact CG-CE1 4.26Å; F251-Y280 PolarHBondContact N-OH 2.94Å
252F93Very high92Very high20 Ų2049.5 Ų49.59%0.08827%0.271CS..Hα-helixtrans-65.7-37.7-178.8-90.1-84.9000112.9L4 P7 W210 L214 T217 Y248 L249 T256L4-F252 HydrophobicContact CD2-CD1 3.62Å; L4-F252 HydrophobicContact CD2-CE1 3.45Å; L4-F252 VanDerWaalsContact CD2-CE1 3.45Å; P7-F252 HydrophobicContact CB-CZ 4.47Å; P7-F252 HydrophobicContact CG-CZ 4.43Å; W210-F252 HydrophobicContact CH2-CD1 4.37Å; L214-F252 HydrophobicContact CD2-CE1 3.91Å; L214-F252 HydrophobicContact CD2-CZ 4.39Å; T217-F252 HydrophobicContact CG2-CE2 3.93Å; T217-F252 HydrophobicContact CG2-CZ 4.06Å; Y248-F252 AromaticContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CE2 4.28Å; Y248-F252 HydrophobicContact CD2-CD2 4.46Å; Y248-F252 HydrophobicContact CD2-CE2 4.24Å; Y248-F252 AromaticContact CE1-CD2 3.37Å; Y248-F252 HydrophobicContact CE1-CD2 3.37Å; Y248-F252 AromaticContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CG 4.29Å; Y248-F252 HydrophobicContact CE1-CZ 4.48Å; Y248-F252 HydrophobicContact CE2-CD2 4.06Å; Y248-F252 AromaticContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CE2 3.49Å; Y248-F252 VanDerWaalsContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CZ 4.47Å; Y248-F252 HydrophobicContact CG-CD2 4.37Å; Y248-F252 AromaticContact CZ-CD2 3.48Å; Y248-F252 VanDerWaalsContact CZ-CD2 3.48Å; Y248-F252 AromaticContact CZ-CE2 3.06Å; Y248-F252 AromaticContact CZ-CZ 3.9Å; Y248-F252 WeakPolarHBondContact O-CD2 3.43Å; Y248-F252 PolarHBondContact O-N 3.37Å; Y248-F252 VanDerWaalsContact O-N 3.12Å; Y248-F252 WeakPolarHBondContact OH-CE2 3.3Å; Y248-F252 WeakPolarHBondContact OH-CZ 3.37Å; L249-F252 PolarHBondContact O-N 2.94Å; F252-T256 VanDerWaalsContact O-CB 3.25Å; F252-T256 WeakPolarHBondContact O-CB 3.41Å; F252-T256 PolarHBondContact O-N 2.97Å; F252-T256 PolarHBondContact O-OG1 3.27Å
253L94.2Very high91.6Very high104 Ų10446.7 Ų46.755%0.54526%0.26SS..Hα-helixtrans-64.1-44.5175.7-72175.8000111.7L249 L250 F251 S257L249-L253 HydrophobicContact CD1-CD1 4.13Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.28Å; L250-L253 PolarHBondContact O-N 3.49Å; F251-L253 PolarHBondContact O-N 3.12Å; L253-S257 VanDerWaalsContact O-CB 3.26Å; L253-S257 WeakPolarHBondContact O-CB 3.3Å; L253-S257 PolarHBondContact O-N 2.81Å
254I94.8Very high91.3Very high59 Ų5950.1 Ų50.130%0.30327%0.268SS..Hα-helixtrans-63.6-49.1177-68168.5000110.1L250 F251 T256 S257 L258 V276L250-I254 HydrophobicContact CD1-CD1 3.98Å; L250-I254 HydrophobicContact CD1-CG1 4.31Å; L250-I254 HydrophobicContact CG-CD1 3.82Å; L250-I254 WeakPolarHBondContact O-CB 3.32Å; L250-I254 VanDerWaalsContact O-CG1 3.23Å; L250-I254 WeakPolarHBondContact O-CG1 3.46Å; L250-I254 PolarHBondContact O-N 2.88Å; F251-I254 PolarHBondContact O-N 3.2Å; I254-T256 VanDerWaalsContact C-N 3.35Å; I254-T256 PolarHBondContact O-N 3.04Å; I254-S257 WeakPolarHBondContact O-CB 3.48Å; I254-S257 PolarHBondContact O-N 3.32Å; I254-L258 HydrophobicContact CG2-CD1 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.25Å; I254-L258 WeakPolarHBondContact O-CG 3.3Å; I254-L258 PolarHBondContact O-N 3.43Å; I254-V276 HydrophobicContact CG2-CB 4.48Å; I254-V276 HydrophobicContact CG2-CG1 4.02Å; I254-V276 HydrophobicContact CG2-CG2 3.69Å
255Q93.4Very high90.9Very high1 Ų152.1 Ų52.11%0.00529%0.288CS..Hα-helixtrans-64.2-39.1-178.7-68.6-68.17.500112.2W210 T213 F251 L258 K259 M273 V276 N277W210-Q255 HydrophobicContact CE3-CB 4.23Å; W210-Q255 HydrophobicContact CZ3-CB 3.62Å; T213-Q255 HydrophobicContact CG2-CG 4.19Å; F251-Q255 HydrophobicContact CD1-CG 4.26Å; F251-Q255 HydrophobicContact CD2-CG 4.33Å; F251-Q255 HydrophobicContact CE1-CG 3.84Å; F251-Q255 HydrophobicContact CE2-CG 3.94Å; F251-Q255 HydrophobicContact CG-CG 4.49Å; F251-Q255 HydrophobicContact CZ-CG 3.69Å; F251-Q255 WeakPolarHBondContact O-CB 3.31Å; F251-Q255 WeakPolarHBondContact O-CG 3.41Å; F251-Q255 PolarHBondContact O-N 3.01Å; Q255-L258 PolarHBondContact O-N 3.49Å; Q255-K259 PolarHBondContact O-N 3.33Å; Q255-M273 PolarHBondContact NE2-O 3.43Å; Q255-V276 HydrophobicContact CG-CG1 4.5Å; Q255-N277 PolarHBondContact NE2-OD1 3.39Å
256T91.5Very high90.5Very high71 Ų7156.2 Ų56.244%0.43630%0.304SS..Hα-helixtrans-65.8-41.4176.1-56.10000111.1F252 I254 K259 S260F252-T256 VanDerWaalsContact O-CB 3.25Å; F252-T256 WeakPolarHBondContact O-CB 3.41Å; F252-T256 PolarHBondContact O-N 2.97Å; F252-T256 PolarHBondContact O-OG1 3.27Å; I254-T256 VanDerWaalsContact C-N 3.35Å; I254-T256 PolarHBondContact O-N 3.04Å; T256-K259 PolarHBondContact O-N 2.67Å; T256-S260 PolarHBondContact O-N 3.34Å
257S92.2Very high90.1Very high60 Ų6054.5 Ų54.542%0.4230%0.296SS..Hα-helixtrans-62.3-42.5174.5-176.30000111.7L253 I254 S260 N261L253-S257 VanDerWaalsContact O-CB 3.26Å; L253-S257 WeakPolarHBondContact O-CB 3.3Å; L253-S257 PolarHBondContact O-N 2.81Å; I254-S257 WeakPolarHBondContact O-CB 3.48Å; I254-S257 PolarHBondContact O-N 3.32Å; S257-S260 PolarHBondContact O-N 3.31Å; S257-N261 WeakPolarHBondContact O-CB 3.3Å; S257-N261 PolarHBondContact O-N 2.98Å; S257-N261 PolarHBondContact O-ND2 2.98Å; S257-N261 PolarHBondContact OG-ND2 3.5Å
258L92.6Very high89.8Confident18 Ų1857.4 Ų57.49%0.09431%0.311CS..Hα-helixtrans-65.1-40.4175.3-71.9177.2000112.4I254 Q255 G262 L267 W272 M273 V276I254-L258 HydrophobicContact CG2-CD1 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.25Å; I254-L258 WeakPolarHBondContact O-CG 3.3Å; I254-L258 PolarHBondContact O-N 3.43Å; Q255-L258 PolarHBondContact O-N 3.49Å; L258-G262 WeakPolarHBondContact O-CA 3.38Å; L258-G262 PolarHBondContact O-N 3.22Å; L258-L267 HydrophobicContact CD2-CD1 4.21Å; L258-W272 HydrophobicContact CD1-CB 4.03Å; L258-W272 HydrophobicContact CD2-CB 3.64Å; L258-W272 HydrophobicContact CD2-CG 4.26Å; L258-W272 HydrophobicContact CG-CB 4.44Å; L258-M273 HydrophobicContact CB-CE 4.22Å; L258-M273 HydrophobicContact CB-CG 4.04Å; L258-M273 HydrophobicContact CD1-CG 4.28Å; L258-V276 HydrophobicContact CD1-CB 4.5Å; L258-V276 HydrophobicContact CD1-CG2 3.72Å
259K88.7Confident89.4Confident50 Ų5056.6 Ų56.622%0.21731%0.309CS..Hα-helixtrans-58.7-50.9173.1179.1-177.1165.8171.50110.4D189 E207 W210 Q255 T256 N261 G262 G263 M273D189-K259 IonicContact OD1-NZ 3.14Å; D189-K259 PolarHBondContact OD1-NZ 2.99Å; D189-K259 IonicContact OD2-NZ 3.82Å; E207-K259 WeakPolarHBondContact OE2-CE 3.43Å; E207-K259 IonicContact OE2-NZ 2.74Å; E207-K259 PolarHBondContact OE2-NZ 3.46Å; W210-K259 HydrophobicContact CB-CD 4.16Å; W210-K259 HydrophobicContact CB-CG 4.48Å; W210-K259 HydrophobicContact CD2-CD 3.95Å; W210-K259 HydrophobicContact CE3-CB 4.19Å; W210-K259 HydrophobicContact CE3-CD 4.43Å; W210-K259 HydrophobicContact CG-CD 3.8Å; Q255-K259 PolarHBondContact O-N 3.33Å; T256-K259 PolarHBondContact O-N 2.67Å; K259-N261 PolarHBondContact O-N 3.32Å; K259-G262 PolarHBondContact O-N 3.5Å; K259-G263 PolarHBondContact O-N 3.3Å; K259-M273 HydrophobicContact CB-CE 3.62Å; K259-M273 HydrophobicContact CG-CE 4.49Å; K259-M273 VanDerWaalsContact N-CE 3.29Å
260S87.6Confident89.1Confident56 Ų5655.4 Ų55.439%0.39231%0.305SS..Hα-helixtrans-63.3-42.3-178.7162.70000112.8T256 S257 K264T256-S260 PolarHBondContact O-N 3.34Å; S257-S260 PolarHBondContact O-N 3.31Å; S260-K264 WeakPolarHBondContact O-CG 3.3Å; S260-K264 PolarHBondContact O-N 2.87Å
261N89.3Confident88.9Confident46 Ų4656.4 Ų56.425%0.24631%0.31CS..Hα-helixtrans-76.1-36179.5-72.4-35.6000112.6S257 K259 K264 K266 L267S257-N261 WeakPolarHBondContact O-CB 3.3Å; S257-N261 PolarHBondContact O-N 2.98Å; S257-N261 PolarHBondContact O-ND2 2.98Å; S257-N261 PolarHBondContact OG-ND2 3.5Å; K259-N261 PolarHBondContact O-N 3.32Å; N261-K264 PolarHBondContact O-N 2.89Å; N261-K266 PolarHBondContact O-N 3.47Å; N261-L267 HydrophobicContact CB-CD1 4.04Å
262G86.8Confident88.8Confident1 Ų162 Ų621%0.0133%0.332CS..Hα-helixtrans-65.3-42.2174.300000112.1L258 K259 K264 G265L258-G262 WeakPolarHBondContact O-CA 3.38Å; L258-G262 PolarHBondContact O-N 3.22Å; K259-G262 PolarHBondContact O-N 3.5Å; G262-K264 PolarHBondContact O-N 3.23Å; G262-K264 VanDerWaalsContact O-N 3.15Å; G262-G265 PolarHBondContact O-N 3.33Å
263G82Confident88.7Confident14 Ų1461.1 Ų61.114%0.14433%0.328CS..THydrogen-bonded Turntrans-66.8-12.7174.500000114.7R203 K259R203-G263 WeakPolarHBondContact CG-O 3.43Å; R203-G263 PolarHBondContact NE-O 3.49Å; K259-G263 PolarHBondContact O-N 3.3Å
264K83.5Confident88.6Confident138 Ų13860.5 Ų60.560%0.632%0.318SS*.THydrogen-bonded Turntrans-95.52.8172.7-68.9173.4-174.2176.50113S260 N261 G262 K266S260-K264 WeakPolarHBondContact O-CG 3.3Å; S260-K264 PolarHBondContact O-N 2.87Å; N261-K264 PolarHBondContact O-N 2.89Å; G262-K264 PolarHBondContact O-N 3.23Å; G262-K264 VanDerWaalsContact O-N 3.15Å; K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 HydrophobicContact CB-CG 4.42Å; K264-K266 PolarHBondContact O-N 2.92Å
265G82.8Confident88.6Confident43 Ų4360.1 Ų60.144%0.44332%0.319SS..THydrogen-bonded Turntrans71.417-179.300000114.6D202 G262D202-G265 WeakPolarHBondContact OD2-CA 3.42Å; G262-G265 PolarHBondContact O-N 3.33Å
266K83.2Confident88.7Confident155 Ų15560.9 Ų60.967%0.67432%0.323SS*.SBendtrans-82.1-25.2-179.4-68.4-169.5174.7-172.20113.6N261 K264N261-K266 PolarHBondContact O-N 3.47Å; K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 HydrophobicContact CB-CG 4.42Å; K264-K266 PolarHBondContact O-N 2.92Å
267L85.5Confident88.8Confident65 Ų6557.5 Ų57.534%0.3430%0.303SS..SBendtrans-147.9144-171.4-62.8169.9000108.4L258 N261 P269L258-L267 HydrophobicContact CD2-CD1 4.21Å; N261-L267 HydrophobicContact CB-CD1 4.04Å; L267-P269 WeakPolarHBondContact O-CD 3.32Å
268D88.5Confident88.9Confident103 Ų10359.4 Ų59.455%0.55131%0.308SS*.  trans-67.9110.1170.5-69.2-43.6000109.9T270 L271 W272D268-T270 VanDerWaalsContact C-N 3.27Å; D268-T270 PolarHBondContact O-N 2.99Å; D268-L271 HydrophobicContact CB-CB 4.28Å; D268-L271 PolarHBondContact O-N 2.86Å; D268-W272 PolarHBondContact O-N 3.26Å
269P84.1Confident89.1Confident4 Ų463.5 Ų63.53%0.02633%0.328CS..Hα-helixtrans-64-35.1-174.424-32.2000111.9R205 A206 L267 L271 M273R205-P269 HydrophobicContact CB-CG 4.03Å; A206-P269 HydrophobicContact CB-CB 3.86Å; A206-P269 HydrophobicContact CB-CG 4Å; L267-P269 WeakPolarHBondContact O-CD 3.32Å; P269-L271 PolarHBondContact O-N 3.27Å; P269-M273 HydrophobicContact CB-SD 4.36Å; P269-M273 WeakPolarHBondContact O-CB 3.37Å; P269-M273 WeakPolarHBondContact O-CG 3.4Å; P269-M273 PolarHBondContact O-N 3.42Å
270T88.2Confident89.3Confident68 Ų6861.8 Ų61.842%0.41732%0.321SS..Hα-helixtrans-61.3-45.1179.2-48.10000111.5N209 D268 W274N209-T270 PolarHBondContact ND2-OG1 3.12Å; D268-T270 VanDerWaalsContact C-N 3.27Å; D268-T270 PolarHBondContact O-N 2.99Å; T270-W274 WeakPolarHBondContact O-CB 3.49Å; T270-W274 PolarHBondContact O-N 3.36Å
271L90.3Very high89.7Confident108 Ų10861.5 Ų61.557%0.56531%0.314SS*.Hα-helixtrans-68.9-49.5-177-174.467.7000111.2D268 P269 T275D268-L271 HydrophobicContact CB-CB 4.28Å; D268-L271 PolarHBondContact O-N 2.86Å; P269-L271 PolarHBondContact O-N 3.27Å; L271-T275 VanDerWaalsContact O-CB 3.3Å; L271-T275 WeakPolarHBondContact O-CB 3.24Å; L271-T275 PolarHBondContact O-N 3.36Å; L271-T275 PolarHBondContact O-OG1 3.48Å
272W92Very high89.9Confident119 Ų11961.7 Ų61.745%0.45132%0.322SS..Hα-helixtrans-74.6-41.1-172.4-73.6101.2000113.4L258 D268 W274 T275 V276L258-W272 HydrophobicContact CD1-CB 4.03Å; L258-W272 HydrophobicContact CD2-CB 3.64Å; L258-W272 HydrophobicContact CD2-CG 4.26Å; L258-W272 HydrophobicContact CG-CB 4.44Å; D268-W272 PolarHBondContact O-N 3.26Å; W272-W274 PolarHBondContact O-N 3.47Å; W272-T275 PolarHBondContact O-N 2.88Å; W272-V276 WeakPolarHBondContact O-CG2 3.47Å; W272-V276 PolarHBondContact O-N 3.47Å
273M92Very high90.2Very high0 Ų064.6 Ų64.60%034%0.337CS..Hα-helixtrans-64.4-43.1179.1-69.5-178160.700111.5N209 W210 Q255 L258 K259 P269 V276 N277N209-M273 HydrophobicContact CB-SD 3.47Å; N209-M273 WeakPolarHBondContact CB-SD 3.41Å; W210-M273 HydrophobicContact CB-CE 4.3Å; Q255-M273 PolarHBondContact NE2-O 3.43Å; L258-M273 HydrophobicContact CB-CE 4.22Å; L258-M273 HydrophobicContact CB-CG 4.04Å; L258-M273 HydrophobicContact CD1-CG 4.28Å; K259-M273 HydrophobicContact CB-CE 3.62Å; K259-M273 HydrophobicContact CG-CE 4.49Å; K259-M273 VanDerWaalsContact N-CE 3.29Å; P269-M273 HydrophobicContact CB-SD 4.36Å; P269-M273 WeakPolarHBondContact O-CB 3.37Å; P269-M273 WeakPolarHBondContact O-CG 3.4Å; P269-M273 PolarHBondContact O-N 3.42Å; M273-V276 PolarHBondContact O-N 3.48Å; M273-N277 VanDerWaalsContact O-CG 3.3Å; M273-N277 PolarHBondContact O-N 2.97Å; M273-N277 PolarHBondContact O-ND2 2.84Å
274W92.7Very high90.7Very high92 Ų9263.9 Ų63.935%0.34833%0.33SS..Hα-helixtrans-69.8-35.5176.5-78.190.1000112.4N209 I212 T270 W272 V276 N277 L278N209-W274 PolarHBondContact OD1-NE1 3.42Å; I212-W274 HydrophobicContact CG2-CH2 4.32Å; I212-W274 HydrophobicContact CG2-CZ2 3.88Å; T270-W274 WeakPolarHBondContact O-CB 3.49Å; T270-W274 PolarHBondContact O-N 3.36Å; W272-W274 PolarHBondContact O-N 3.47Å; W274-V276 VanDerWaalsContact C-N 3.32Å; W274-V276 PolarHBondContact O-N 3.36Å; W274-N277 PolarHBondContact O-N 3.03Å; W274-L278 WeakPolarHBondContact O-CB 3.43Å; W274-L278 VanDerWaalsContact O-CG 3.3Å; W274-L278 WeakPolarHBondContact O-CG 3.41Å; W274-L278 PolarHBondContact O-N 2.92Å
275T94.3Very high91.1Very high51 Ų5160.9 Ų60.931%0.31332%0.32SS..Hα-helixtrans-58.3-45.9173-62.50000111L271 W272 N277 L278 I279L271-T275 VanDerWaalsContact O-CB 3.3Å; L271-T275 WeakPolarHBondContact O-CB 3.24Å; L271-T275 PolarHBondContact O-N 3.36Å; L271-T275 PolarHBondContact O-OG1 3.48Å; W272-T275 PolarHBondContact O-N 2.88Å; T275-N277 PolarHBondContact O-N 2.82Å; T275-L278 PolarHBondContact O-N 3.41Å; T275-I279 HydrophobicContact CG2-CD1 3.87Å; T275-I279 WeakPolarHBondContact O-CB 3.4Å; T275-I279 VanDerWaalsContact O-CG1 3.26Å; T275-I279 WeakPolarHBondContact O-CG1 3.26Å; T275-I279 PolarHBondContact O-N 2.92Å
276V94.5Very high91.4Very high17 Ų1762.3 Ų62.310%0.10332%0.32CS..Hα-helixtrans-63.4-42.8176.1174.60000111.3F251 I254 Q255 L258 W272 M273 W274 L278 I279 Y280F251-V276 HydrophobicContact CD2-CG1 4.17Å; F251-V276 HydrophobicContact CE2-CG1 4.17Å; I254-V276 HydrophobicContact CG2-CB 4.48Å; I254-V276 HydrophobicContact CG2-CG1 4.02Å; I254-V276 HydrophobicContact CG2-CG2 3.69Å; Q255-V276 HydrophobicContact CG-CG1 4.5Å; L258-V276 HydrophobicContact CD1-CB 4.5Å; L258-V276 HydrophobicContact CD1-CG2 3.72Å; W272-V276 WeakPolarHBondContact O-CG2 3.47Å; W272-V276 PolarHBondContact O-N 3.47Å; M273-V276 PolarHBondContact O-N 3.48Å; W274-V276 VanDerWaalsContact C-N 3.32Å; W274-V276 PolarHBondContact O-N 3.36Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 3.1Å; V276-I279 PolarHBondContact O-N 3.22Å; V276-Y280 HydrophobicContact CG1-CD2 4.02Å; V276-Y280 HydrophobicContact CG1-CE2 4.18Å; V276-Y280 WeakPolarHBondContact O-CD2 3.43Å; V276-Y280 PolarHBondContact O-N 3.06Å
277N94.2Very high91.7Very high0 Ų057.2 Ų57.20%030%0.3CS..Hα-helixtrans-61.3-42.3176.4-71.7-26.2000112.3T213 F216 M220 F251 Q255 M273 W274 T275 Y280 L281T213-N277 WeakPolarHBondContact CG2-ND2 3.4Å; T213-N277 WeakPolarHBondContact CG2-OD1 3.26Å; T213-N277 PolarHBondContact OG1-ND2 2.93Å; F216-N277 HydrophobicContact CD1-CB 4.05Å; F216-N277 HydrophobicContact CE1-CB 3.96Å; M220-N277 HydrophobicContact CE-CB 3.92Å; M220-N277 VanDerWaalsContact CE-O 3.3Å; M220-N277 WeakPolarHBondContact CE-O 3.26Å; F251-N277 WeakPolarHBondContact CE2-OD1 3.47Å; F251-N277 WeakPolarHBondContact CZ-OD1 3.39Å; Q255-N277 PolarHBondContact NE2-OD1 3.39Å; M273-N277 VanDerWaalsContact O-CG 3.3Å; M273-N277 PolarHBondContact O-N 2.97Å; M273-N277 PolarHBondContact O-ND2 2.84Å; W274-N277 PolarHBondContact O-N 3.03Å; T275-N277 PolarHBondContact O-N 2.82Å; N277-Y280 PolarHBondContact O-N 3.05Å; N277-L281 VanDerWaalsContact O-CB 3.25Å; N277-L281 WeakPolarHBondContact O-CB 3.42Å; N277-L281 PolarHBondContact O-N 2.86Å
278L94.7Very high91.9Very high100 Ų10055.5 Ų55.552%0.52429%0.291SS..Hα-helixtrans-68.5-38.6177.9-70.9175.6000112W274 T275 V276 L281 A282W274-L278 WeakPolarHBondContact O-CB 3.43Å; W274-L278 VanDerWaalsContact O-CG 3.3Å; W274-L278 WeakPolarHBondContact O-CG 3.41Å; W274-L278 PolarHBondContact O-N 2.92Å; T275-L278 PolarHBondContact O-N 3.41Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 3.1Å; L278-L281 PolarHBondContact O-N 3.47Å; L278-A282 VanDerWaalsContact O-CB 3.28Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 2.96Å
279I95.5Very high91.9Very high103 Ų10354.5 Ų54.553%0.52829%0.285SS..Hα-helixtrans-61.7-47.9174.9-72.1167.5000110.6T275 V276 A282 L283T275-I279 HydrophobicContact CG2-CD1 3.87Å; T275-I279 WeakPolarHBondContact O-CB 3.4Å; T275-I279 VanDerWaalsContact O-CG1 3.26Å; T275-I279 WeakPolarHBondContact O-CG1 3.26Å; T275-I279 PolarHBondContact O-N 2.92Å; V276-I279 PolarHBondContact O-N 3.22Å; I279-A282 PolarHBondContact O-N 3.32Å; I279-L283 WeakPolarHBondContact O-CB 3.29Å; I279-L283 PolarHBondContact O-N 3.44Å
280Y94.6Very high91.8Very high15 Ų1560.5 Ų60.56%0.05931%0.308CS..Hα-helixtrans-68.4-36.3178.6-90.3-104.9000112.5M220 M221 M224 L247 F251 V276 N277 L283 A284M220-Y280 WeakPolarHBondContact SD-CB 3.5Å; M220-Y280 HydrophobicContact SD-CD1 4.24Å; M220-Y280 HydrophobicContact SD-CG 4.07Å; M221-Y280 HydrophobicContact CE-CD1 4.49Å; M224-Y280 HydrophobicContact CE-CD1 4.36Å; M224-Y280 HydrophobicContact CE-CE1 4.41Å; M224-Y280 HydrophobicContact SD-CD1 3.99Å; M224-Y280 HydrophobicContact SD-CE1 4.44Å; L247-Y280 PolarHBondContact O-OH 3.38Å; F251-Y280 HydrophobicContact CB-CD1 4.29Å; F251-Y280 HydrophobicContact CB-CE1 3.67Å; F251-Y280 HydrophobicContact CB-CE2 4.32Å; F251-Y280 AromaticContact CD2-CD1 3.87Å; F251-Y280 HydrophobicContact CD2-CD1 3.87Å; F251-Y280 AromaticContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CE1 4.02Å; F251-Y280 AromaticContact CD2-CE2 3.91Å; F251-Y280 HydrophobicContact CD2-CE2 3.91Å; F251-Y280 AromaticContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CE2-CD2 4.44Å; F251-Y280 HydrophobicContact CE2-CG 4.33Å; F251-Y280 HydrophobicContact CG-CD1 4.42Å; F251-Y280 HydrophobicContact CG-CE1 4.26Å; F251-Y280 PolarHBondContact N-OH 2.94Å; V276-Y280 HydrophobicContact CG1-CD2 4.02Å; V276-Y280 HydrophobicContact CG1-CE2 4.18Å; V276-Y280 WeakPolarHBondContact O-CD2 3.43Å; V276-Y280 PolarHBondContact O-N 3.06Å; N277-Y280 PolarHBondContact O-N 3.05Å; Y280-L283 PolarHBondContact O-N 3.04Å; Y280-A284 WeakPolarHBondContact O-CB 3.34Å; Y280-A284 PolarHBondContact O-N 3.06Å
281L94.1Very high91.2Very high49 Ų4960 Ų6026%0.25730%0.302SS..Hα-helixtrans-62.1-46.2172.9-177.470.4000111F216 L223 N277 L278 L283 A284 I285F216-L281 HydrophobicContact CZ-CD1 4.31Å; F216-L281 HydrophobicContact CZ-CD2 4.22Å; L223-L281 HydrophobicContact CD2-CD1 4.45Å; N277-L281 VanDerWaalsContact O-CB 3.25Å; N277-L281 WeakPolarHBondContact O-CB 3.42Å; N277-L281 PolarHBondContact O-N 2.86Å; L278-L281 PolarHBondContact O-N 3.47Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 3.27Å; L281-A284 PolarHBondContact O-N 3.43Å; L281-I285 HydrophobicContact CD1-CD1 4.42Å; L281-I285 HydrophobicContact CG-CD1 3.99Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.49Å; L281-I285 PolarHBondContact O-N 3.34Å
282A94Very high90.6Very high50 Ų5057 Ų5741%0.41329%0.289SS..Hα-helixtrans-60.5-44175.800000111.1L278 I279 A284 I285 V286L278-A282 VanDerWaalsContact O-CB 3.28Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 2.96Å; I279-A282 PolarHBondContact O-N 3.32Å; A282-A284 PolarHBondContact O-N 2.9Å; A282-I285 PolarHBondContact O-N 3.35Å; A282-V286 WeakPolarHBondContact O-CB 3.42Å; A282-V286 VanDerWaalsContact O-CG2 3.24Å; A282-V286 WeakPolarHBondContact O-CG2 3.24Å; A282-V286 PolarHBondContact O-N 2.86Å
283L93.8Very high89.8Confident62 Ų6255.7 Ų55.733%0.32529%0.293SS..Hα-helixtrans-59.9-45.5175.3-178.364.4000111.6M224 L247 I279 Y280 L281 I285 V286 L287M224-L283 HydrophobicContact CE-CD2 3.7Å; M224-L283 HydrophobicContact CE-CG 4.34Å; L247-L283 HydrophobicContact CD2-CD2 4.37Å; I279-L283 WeakPolarHBondContact O-CB 3.29Å; I279-L283 PolarHBondContact O-N 3.44Å; Y280-L283 PolarHBondContact O-N 3.04Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 3.27Å; L283-I285 PolarHBondContact O-N 2.6Å; L283-V286 PolarHBondContact O-N 3.47Å; L283-L287 HydrophobicContact CD1-CD1 4.26Å; L283-L287 HydrophobicContact CD1-CG 4.33Å; L283-L287 HydrophobicContact CG-CD1 4.06Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.29Å; L283-L287 PolarHBondContact O-N 3.22Å
284A92Very high89Confident0 Ų059.9 Ų59.90%032%0.32CS..Hα-helixtrans-61.8-42.1177.400000112L223 M224 Y280 L281 A282 N288L223-A284 HydrophobicContact CB-CB 4.42Å; L223-A284 HydrophobicContact CD2-CB 4Å; L223-A284 HydrophobicContact CG-CB 4.12Å; M224-A284 HydrophobicContact CB-CB 3.97Å; M224-A284 HydrophobicContact CG-CB 4.37Å; Y280-A284 WeakPolarHBondContact O-CB 3.34Å; Y280-A284 PolarHBondContact O-N 3.06Å; L281-A284 PolarHBondContact O-N 3.43Å; A282-A284 PolarHBondContact O-N 2.9Å; A284-N288 WeakPolarHBondContact O-CB 3.28Å; A284-N288 PolarHBondContact O-N 3.08Å; A284-N288 PolarHBondContact O-ND2 3.47Å
285I91.4Very high88.4Confident74 Ų7457.7 Ų57.738%0.37932%0.317SS..Hα-helixtrans-65.2-47.5176.6-68.3165.9000110.6L223 L281 A282 L283 L287 N288 L289L223-I285 HydrophobicContact CD2-CG1 4.24Å; L281-I285 HydrophobicContact CD1-CD1 4.42Å; L281-I285 HydrophobicContact CG-CD1 3.99Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.49Å; L281-I285 PolarHBondContact O-N 3.34Å; A282-I285 PolarHBondContact O-N 3.35Å; L283-I285 PolarHBondContact O-N 2.6Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.42Å; I285-N288 PolarHBondContact O-N 3.28Å; I285-L289 HydrophobicContact CG2-CD1 3.52Å; I285-L289 HydrophobicContact CG2-CG 4.13Å; I285-L289 WeakPolarHBondContact O-CB 3.25Å; I285-L289 VanDerWaalsContact O-CG 3.29Å; I285-L289 WeakPolarHBondContact O-CG 3.49Å; I285-L289 PolarHBondContact O-N 3.44Å
286V90.9Very high87.6Confident73 Ų7362.2 Ų62.244%0.44233%0.328SS..Hα-helixtrans-59.1-45.5178.8169.10000110.8A282 L283 N288 L289 W290A282-V286 WeakPolarHBondContact O-CB 3.42Å; A282-V286 VanDerWaalsContact O-CG2 3.24Å; A282-V286 WeakPolarHBondContact O-CG2 3.24Å; A282-V286 PolarHBondContact O-N 2.86Å; L283-V286 PolarHBondContact O-N 3.47Å; V286-N288 PolarHBondContact O-N 3.45Å; V286-L289 PolarHBondContact O-N 3.3Å; V286-W290 HydrophobicContact CG1-CE3 3.89Å; V286-W290 HydrophobicContact CG1-CZ3 4.17Å; V286-W290 WeakPolarHBondContact O-CB 3.41Å; V286-W290 PolarHBondContact O-N 3.39Å
287L89.2Confident86.7Confident48 Ų4870.3 Ų70.325%0.25136%0.357SS..Hα-helixtrans-63.2-39177.7-72171.9000112.6P227 L228 L283 I285P227-L287 HydrophobicContact CB-CB 4.25Å; P227-L287 HydrophobicContact CG-CB 3.8Å; L228-L287 HydrophobicContact CD2-CD1 4.35Å; L228-L287 HydrophobicContact CG-CD1 4.45Å; L283-L287 HydrophobicContact CD1-CD1 4.26Å; L283-L287 HydrophobicContact CD1-CG 4.33Å; L283-L287 HydrophobicContact CG-CD1 4.06Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.29Å; L283-L287 PolarHBondContact O-N 3.22Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.42Å
288N88.5Confident85.9Confident29 Ų2975.3 Ų75.316%0.15538%0.383CS..Hα-helixtrans-71.2-38.1176.6-84.7-82.9000112.6V41 L223 A284 I285 V286V41-N288 WeakPolarHBondContact CG2-OD1 3.39Å; L223-N288 PolarHBondContact O-ND2 3.05Å; A284-N288 WeakPolarHBondContact O-CB 3.28Å; A284-N288 PolarHBondContact O-N 3.08Å; A284-N288 PolarHBondContact O-ND2 3.47Å; I285-N288 PolarHBondContact O-N 3.28Å; V286-N288 PolarHBondContact O-N 3.45Å
289L88Confident84.9Confident83 Ų8378.4 Ų78.444%0.43539%0.388SS..Hα-helixtrans-77-21.3179.2-67.8175.7000112.9I285 V286 D291 T292 V295I285-L289 HydrophobicContact CG2-CD1 3.52Å; I285-L289 HydrophobicContact CG2-CG 4.13Å; I285-L289 WeakPolarHBondContact O-CB 3.25Å; I285-L289 VanDerWaalsContact O-CG 3.29Å; I285-L289 WeakPolarHBondContact O-CG 3.49Å; I285-L289 PolarHBondContact O-N 3.44Å; V286-L289 PolarHBondContact O-N 3.3Å; L289-D291 PolarHBondContact O-N 2.85Å; L289-D291 VanDerWaalsContact O-N 3.1Å; L289-T292 HydrophobicContact CD2-CG2 4.21Å; L289-T292 WeakPolarHBondContact O-CB 3.36Å; L289-T292 PolarHBondContact O-N 3.03Å; L289-T292 PolarHBondContact O-OG1 2.86Å; L289-V295 HydrophobicContact CB-CG2 4.13Å; L289-V295 WeakPolarHBondContact O-CB 3.48Å; L289-V295 VanDerWaalsContact O-CG2 3.26Å; L289-V295 WeakPolarHBondContact O-CG2 3.46Å
290W82.9Confident83.9Confident130 Ų13075.9 Ų75.949%0.49238%0.383SS..THydrogen-bonded Turntrans-54.9-33.6-176-159.3-87.1000113.6V286V286-W290 HydrophobicContact CG1-CE3 3.89Å; V286-W290 HydrophobicContact CG1-CZ3 4.17Å; V286-W290 WeakPolarHBondContact O-CB 3.41Å; V286-W290 PolarHBondContact O-N 3.39Å
291D75.2Confident82.9Confident58 Ų5878 Ų7831%0.3140%0.4SS..THydrogen-bonded Turntrans-89-3.7178.9-80.7-45.8000114.9K37 L289 R296K37-D291 HydrophobicContact CD-CB 4.43Å; K37-D291 IonicContact NZ-OD2 2.85Å; K37-D291 PolarHBondContact NZ-OD2 3.26Å; L289-D291 PolarHBondContact O-N 2.85Å; L289-D291 VanDerWaalsContact O-N 3.1Å; D291-R296 PolarHBondContact O-NE 3.33Å; D291-R296 IonicContact OD1-CZ 3.75Å; D291-R296 IonicContact OD1-NE 3.81Å; D291-R296 IonicContact OD1-NH2 2.73Å; D291-R296 PolarHBondContact OD1-NH2 3.42Å
292T79.1Confident81.9Confident45 Ų4583 Ų8328%0.27642%0.419SS..SBendtrans-77.3152179.868.80000111.2L289 P294 V295 R296L289-T292 HydrophobicContact CD2-CG2 4.21Å; L289-T292 WeakPolarHBondContact O-CB 3.36Å; L289-T292 PolarHBondContact O-N 3.03Å; L289-T292 PolarHBondContact O-OG1 2.86Å; T292-P294 VanDerWaalsContact C-CD 3.43Å; T292-P294 WeakPolarHBondContact OG1-CD 3.37Å; T292-P294 WeakPolarHBondContact OG1-CG 3.43Å; T292-V295 PolarHBondContact O-N 3.28Å; T292-R296 WeakPolarHBondContact O-CG 3.26Å; T292-R296 PolarHBondContact O-N 2.9Å
293V75.3Confident80.6Confident91 Ų9184.7 Ų84.755%0.55243%0.428SS*.Hα-helixtrans-50-44.8178.7-176.90000114R296 R297V293-R296 PolarHBondContact O-N 2.64Å; V293-R297 HydrophobicContact CG1-CG 4.3Å; V293-R297 WeakPolarHBondContact O-CB 3.4Å; V293-R297 WeakPolarHBondContact O-CG 3.49Å; V293-R297 PolarHBondContact O-N 3.43Å
294P75.1Confident79Confident87 Ų8791.7 Ų91.757%0.56545%0.451SS*.Hα-helixtrans-63.5-44.4-178.523.3-34.2000112.6T292 R297 L298T292-P294 VanDerWaalsContact C-CD 3.43Å; T292-P294 WeakPolarHBondContact OG1-CD 3.37Å; T292-P294 WeakPolarHBondContact OG1-CG 3.43Å; P294-R297 PolarHBondContact O-N 2.87Å; P294-L298 WeakPolarHBondContact O-CB 3.35Å; P294-L298 PolarHBondContact O-N 3.26Å
295V79.3Confident77.4Confident46 Ų46100.5 Ų100.528%0.27949%0.489SS..Hα-helixtrans-69.2-38.4-179.9-178.30000111L289 T292 L298 R299L289-V295 HydrophobicContact CB-CG2 4.13Å; L289-V295 WeakPolarHBondContact O-CB 3.48Å; L289-V295 VanDerWaalsContact O-CG2 3.26Å; L289-V295 WeakPolarHBondContact O-CG2 3.46Å; T292-V295 PolarHBondContact O-N 3.28Å; V295-L298 PolarHBondContact O-N 3.1Å; V295-R299 PolarHBondContact O-N 3.47Å
296R76.9Confident75.7Confident146 Ų146100.3 Ų100.355%0.55151%0.505SS*.Hα-helixtrans-62.1-42.4173.3-73.8-176.9174.7-167.51.6112.5D291 T292 V293 L298 R299 A300D291-R296 PolarHBondContact O-NE 3.33Å; D291-R296 IonicContact OD1-CZ 3.75Å; D291-R296 IonicContact OD1-NE 3.81Å; D291-R296 IonicContact OD1-NH2 2.73Å; D291-R296 PolarHBondContact OD1-NH2 3.42Å; T292-R296 WeakPolarHBondContact O-CG 3.26Å; T292-R296 PolarHBondContact O-N 2.9Å; V293-R296 PolarHBondContact O-N 2.64Å; R296-L298 VanDerWaalsContact C-N 3.33Å; R296-R299 PolarHBondContact O-N 2.91Å; R296-A300 WeakPolarHBondContact O-CB 3.49Å; R296-A300 PolarHBondContact O-N 2.93Å
297R75.2Confident73.7Confident187 Ų187100.8 Ų100.871%0.70652%0.517SS*.Hα-helixtrans-63.1-40.4174.5-77.6-177.5-179.2-170.51.3111.8V293 P294 A300 S301V293-R297 HydrophobicContact CG1-CG 4.3Å; V293-R297 WeakPolarHBondContact O-CB 3.4Å; V293-R297 WeakPolarHBondContact O-CG 3.49Å; V293-R297 PolarHBondContact O-N 3.43Å; P294-R297 PolarHBondContact O-N 2.87Å; R297-A300 PolarHBondContact O-N 3.37Å; R297-S301 PolarHBondContact O-N 3.49Å
298L78Confident71.4Confident105 Ų105108.3 Ų108.355%0.5556%0.564SS.*Hα-helixtrans-65.7-43.4177.8-155.8145.6000111P294 V295 R296 A300 S301 F302P294-L298 WeakPolarHBondContact O-CB 3.35Å; P294-L298 PolarHBondContact O-N 3.26Å; V295-L298 PolarHBondContact O-N 3.1Å; R296-L298 VanDerWaalsContact C-N 3.33Å; L298-A300 PolarHBondContact O-N 3.35Å; L298-S301 PolarHBondContact O-N 3.31Å; L298-S301 PolarHBondContact O-OG 2.97Å; L298-F302 HydrophobicContact CD2-CD2 3.9Å; L298-F302 HydrophobicContact CD2-CE2 3.73Å; L298-F302 WeakPolarHBondContact O-CD2 3.37Å; L298-F302 PolarHBondContact O-N 3.47Å
299R75Confident70.6Confident165 Ų165112.3 Ų112.362%0.62358%0.584SS**Hα-helixtrans-63.7-40.1173.1-171.6178.2178.8-171.90.9112.6V295 R296 S301 F302 S303V295-R299 PolarHBondContact O-N 3.47Å; R296-R299 PolarHBondContact O-N 2.91Å; R299-S301 VanDerWaalsContact C-N 3.33Å; R299-S301 PolarHBondContact O-N 2.94Å; R299-F302 PolarHBondContact O-N 3.34Å; R299-S303 WeakPolarHBondContact O-CB 3.45Å; R299-S303 PolarHBondContact O-N 2.88Å
300A73.3Confident69.6Low51 Ų51113.8 Ų113.842%0.42159%0.592SS.*Hα-helixtrans-66-34.1177.500000112.3R296 R297 L298 S303 R304R296-A300 WeakPolarHBondContact O-CB 3.49Å; R296-A300 PolarHBondContact O-N 2.93Å; R297-A300 PolarHBondContact O-N 3.37Å; L298-A300 PolarHBondContact O-N 3.35Å; A300-S303 PolarHBondContact O-N 2.95Å; A300-R304 WeakPolarHBondContact O-CB 3.36Å; A300-R304 PolarHBondContact O-N 3.17Å
301S74.4Confident68.9Low59 Ų59112.9 Ų112.941%0.41360%0.598SS.*Hα-helixtrans-70-36.7175.477.70000112.2R297 L298 R299 K305R297-S301 PolarHBondContact O-N 3.49Å; L298-S301 PolarHBondContact O-N 3.31Å; L298-S301 PolarHBondContact O-OG 2.97Å; R299-S301 VanDerWaalsContact C-N 3.33Å; R299-S301 PolarHBondContact O-N 2.94Å; S301-K305 PolarHBondContact O-N 3.48Å
302F73.6Confident68.5Low153 Ų153116.1 Ų116.167%0.67162%0.615SS**Hα-helixtrans-68-39.7172.1-87.2-79.6000112.5L298 R299 K305L298-F302 HydrophobicContact CD2-CD2 3.9Å; L298-F302 HydrophobicContact CD2-CE2 3.73Å; L298-F302 WeakPolarHBondContact O-CD2 3.37Å; L298-F302 PolarHBondContact O-N 3.47Å; R299-F302 PolarHBondContact O-N 3.34Å; F302-K305 PolarHBondContact O-N 2.91Å
303S66Low67.9Low86 Ų86120.6 Ų120.660%0.60164%0.636SS**Hα-helixtrans-67-36.7176.1165.80000112.9R299 A300 K305 G306R299-S303 WeakPolarHBondContact O-CB 3.45Å; R299-S303 PolarHBondContact O-N 2.88Å; A300-S303 PolarHBondContact O-N 2.95Å; S303-K305 VanDerWaalsContact C-N 3.31Å; S303-K305 PolarHBondContact O-N 3.44Å; S303-G306 PolarHBondContact O-N 3.29Å
304R60Low67.4Low210 Ų210122.5 Ų122.579%0.79264%0.642SS**Hα-helixtrans-71.6-22.9176.7-80.5-174.9177.2-175.4-1.3113.7A300 G306A300-R304 WeakPolarHBondContact O-CB 3.36Å; A300-R304 PolarHBondContact O-N 3.17Å; R304-G306 VanDerWaalsContact C-N 3.33Å
305K58.7Low66.8Low185 Ų185125.1 Ų125.180%0.80465%0.647SS**THydrogen-bonded Turntrans-81.7-7.6177.1-79.1-174.1175.3-173.30114.2S301 F302 S303S301-K305 PolarHBondContact O-N 3.48Å; F302-K305 PolarHBondContact O-N 2.91Å; S303-K305 VanDerWaalsContact C-N 3.31Å; S303-K305 PolarHBondContact O-N 3.44Å
306G54.5Low65.9Low69 Ų69131.2 Ų131.271%0.71168%0.675SS**THydrogen-bonded Turntrans-10814178.200000115.1S303 R304S303-G306 PolarHBondContact O-N 3.29Å; R304-G306 VanDerWaalsContact C-N 3.33Å
307A49.6Very low65Low84 Ų84129.9 Ų129.969%0.69469%0.686SS**  trans-122.228.9-175.300000113.7
308V41.3Very low64Low205 Ų205124.7 Ų124.7100%1.24268%0.684SS**  trans-122.30170.1-173.20000108.7

Retrieved 308 of 308 residues in 416.8 ms (Link to these results)