G4VLE3_SCHMA Loading...

Alpha-galactosidase

AlphaFold DB , UniProt , Accession G4VLE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 408 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
1M84.5Confident96.4Very high108 Ų10825.1 Ų25.153%0.53214%0.144SC..  0168.40-72.1-178-75.100108.8T3 P162 I163 V164 G228M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.47Å; M1-P162 HydrophobicContact CE-CB 4.24Å; M1-P162 HydrophobicContact CG-CB 4.24Å; M1-P162 VanDerWaalsContact SD-CA 3.51Å; M1-P162 HydrophobicContact SD-CB 3.3Å; M1-P162 WeakPolarHBondContact SD-CB 3.39Å; M1-I163 WeakPolarHBondContact CE-O 3.48Å; M1-I163 PolarHBondContact SD-N 2.84Å; M1-V164 HydrophobicContact CB-CG2 4.37Å; M1-G228 WeakPolarHBondContact O-CA 3.4Å
2A92.5Very high96.6Very high15 Ų1524.4 Ų24.412%0.12414%0.137CC..  trans49.945.7179.100000113.4V4 P6 V164 N192 G228 W230A2-V4 CarbonylContact C-O 3.49Å; A2-V4 PolarHBondContact O-N 3.44Å; A2-P6 HydrophobicContact CB-CG 4.32Å; A2-V164 HydrophobicContact CB-CG2 4.41Å; A2-N192 HydrophobicContact CB-CB 4.18Å; A2-G228 WeakPolarHBondContact O-CA 3.46Å; A2-G228 PolarHBondContact O-N 3.5Å; A2-W230 PolarHBondContact O-NE1 3.44Å
3T95.3Very high96.7Very high98 Ų9823.2 Ų23.260%0.60113%0.13SC*.SBendtrans-65.9-15.1-179.451.60000113.4M1M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.47Å
4V97.4Very high96.9Very high39 Ų3926.6 Ų26.624%0.23614%0.139CC..SBendtrans-129.8160.4165.2-69.10000107.6A2 W230A2-V4 CarbonylContact C-O 3.49Å; A2-V4 PolarHBondContact O-N 3.44Å; V4-W230 VanDerWaalsContact C-CZ2 3.44Å; V4-W230 VanDerWaalsContact CA-CZ2 3.42Å; V4-W230 PolarHBondContact O-NE1 3.19Å
5P98.4Very high97Very high1 Ų125.5 Ų25.51%0.00613%0.133CC..  trans-56.2135.7-179.5-24.333.9000111.8M7 W230 S259 A260 Q289P5-M7 PolarHBondContact O-N 2.98Å; P5-W230 HydrophobicContact CB-CD2 4.33Å; P5-W230 HydrophobicContact CG-CD2 3.88Å; P5-W230 HydrophobicContact CG-CE3 3.78Å; P5-W230 HydrophobicContact CG-CH2 4.07Å; P5-W230 HydrophobicContact CG-CZ2 4.16Å; P5-W230 HydrophobicContact CG-CZ3 3.89Å; P5-S259 WeakPolarHBondContact CG-O 3.46Å; P5-S259 WeakPolarHBondContact CG-OG 3.17Å; P5-A260 VanDerWaalsContact CB-O 3.24Å; P5-A260 WeakPolarHBondContact CB-O 3.03Å; P5-Q289 PolarHBondContact O-NE2 2.95Å
6P98.5Very high97.1Very high5 Ų528.7 Ų28.73%0.03214%0.143CC..  trans-61.2133.3177.5-23.633.9000112.1A2 Y53 V164 L193 P261 L262A2-P6 HydrophobicContact CB-CG 4.32Å; P6-Y53 HydrophobicContact CB-CD2 4Å; P6-Y53 HydrophobicContact CB-CE2 3.93Å; P6-V164 HydrophobicContact CG-CG1 4.46Å; P6-L193 HydrophobicContact CG-CD1 4.4Å; P6-P261 CarbonylContact O-C 3.51Å; P6-P261 VanDerWaalsContact O-CA 3.26Å; P6-P261 WeakPolarHBondContact O-CA 3.2Å; P6-L262 PolarHBondContact O-N 2.98Å
7M98.8Very high97.2Very high6 Ų628.8 Ų28.83%0.0315%0.147CC..EExtended strand (participates in β ladder)trans-111.8135.3171-58.8177.15900110.3P5 G50 Y51 R52 Y53 L262 L285 Q289P5-M7 PolarHBondContact O-N 2.98Å; M7-G50 WeakPolarHBondContact CB-O 3.14Å; M7-Y51 HydrophobicContact CB-CD1 4.02Å; M7-Y51 HydrophobicContact CB-CE1 4.39Å; M7-Y51 HydrophobicContact CB-CG 4.42Å; M7-Y51 HydrophobicContact CE-CD1 4.02Å; M7-Y51 HydrophobicContact CE-CD2 3.74Å; M7-Y51 HydrophobicContact CE-CE1 3.74Å; M7-Y51 HydrophobicContact CE-CE2 3.45Å; M7-Y51 VanDerWaalsContact CE-CE2 3.45Å; M7-Y51 HydrophobicContact CE-CG 4.02Å; M7-Y51 VanDerWaalsContact CE-CZ 3.45Å; M7-R52 PolarHBondContact O-N 3.25Å; M7-Y53 WeakPolarHBondContact O-CD2 3.41Å; M7-Y53 PolarHBondContact O-N 3.49Å; M7-L262 WeakPolarHBondContact CA-O 3.46Å; M7-L262 HydrophobicContact CB-CB 4.49Å; M7-L262 HydrophobicContact CE-CD1 4.24Å; M7-L262 HydrophobicContact CG-CB 4.08Å; M7-L262 HydrophobicContact CG-CD1 4.39Å; M7-L262 HydrophobicContact CG-CG 4.48Å; M7-L285 HydrophobicContact CE-CD1 4.28Å; M7-L285 HydrophobicContact CE-CD2 3.51Å; M7-L285 HydrophobicContact CE-CG 4.45Å; M7-Q289 HydrophobicContact SD-CG 3.66Å
8G98.8Very high97.2Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans179.9-156.2-177.300000114.3Y53 L262 L263 I264G8-Y53 CarbonylContact C-O 3.5Å; G8-Y53 WeakPolarHBondContact CA-O 3.41Å; G8-L262 PolarHBondContact N-O 2.03Å; G8-L263 WeakPolarHBondContact O-CA 3.21Å; G8-I264 PolarHBondContact O-N 3.33Å
9W98.9Very high97.3Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-134.2142.7178.8179.698.3000110.5T11 F15 L33 I34 T37 L41 Y53 V54 I55 I264 A266 M268W9-T11 HydrophobicContact CH2-CG2 3.52Å; W9-T11 HydrophobicContact CZ3-CG2 3.41Å; W9-T11 VanDerWaalsContact CZ3-CG2 3.41Å; W9-F15 HydrophobicContact CH2-CD2 4.28Å; W9-F15 HydrophobicContact CH2-CE2 4.19Å; W9-F15 AromaticContact CZ2-CD2 3.89Å; W9-F15 HydrophobicContact CZ2-CD2 3.89Å; W9-F15 AromaticContact CZ2-CE2 3.44Å; W9-F15 HydrophobicContact CZ2-CE2 3.44Å; W9-F15 VanDerWaalsContact CZ2-CE2 3.44Å; W9-F15 HydrophobicContact CZ2-CZ 4.3Å; W9-L33 HydrophobicContact CH2-CG 4.37Å; W9-I34 HydrophobicContact CH2-CD1 4.37Å; W9-I34 HydrophobicContact CZ3-CD1 4.03Å; W9-T37 HydrophobicContact CD2-CG2 3.63Å; W9-T37 HydrophobicContact CE3-CG2 3.91Å; W9-T37 HydrophobicContact CG-CG2 4.02Å; W9-T37 HydrophobicContact CH2-CG2 4.11Å; W9-T37 HydrophobicContact CZ2-CG2 3.85Å; W9-T37 HydrophobicContact CZ3-CG2 4.15Å; W9-L41 HydrophobicContact CB-CD1 4.26Å; W9-Y53 PolarHBondContact N-O 2.97Å; W9-V54 HydrophobicContact CE3-CG1 3.97Å; W9-V54 HydrophobicContact CZ3-CG1 4.24Å; W9-V54 WeakPolarHBondContact O-CA 3.45Å; W9-I55 PolarHBondContact O-N 3.1Å; W9-I264 CarbonylContact C-O 3.52Å; W9-I264 WeakPolarHBondContact CA-O 3.41Å; W9-I264 VanDerWaalsContact CD1-O 3.28Å; W9-A266 PolarHBondContact NE1-O 2.81Å; W9-M268 VanDerWaalsContact CD1-SD 3.58Å
10M98.8Very high97.3Very high4 Ų432.6 Ų32.62%0.0217%0.168CC..EExtended strand (participates in β ladder)trans-134.8140.6-179.7-176.2-178.1-79.400111.1W12 I55 D57 K134 M235 L263 I264 S265M10-W12 VanDerWaalsContact C-N 3.35Å; M10-W12 HydrophobicContact CG-CB 4.45Å; M10-W12 PolarHBondContact O-N 3.15Å; M10-W12 HydrophobicContact SD-CB 4.47Å; M10-I55 WeakPolarHBondContact CA-O 3.49Å; M10-I55 HydrophobicContact CB-CB 4.17Å; M10-I55 HydrophobicContact CE-CB 4.03Å; M10-I55 HydrophobicContact CE-CD1 3.68Å; M10-I55 HydrophobicContact CE-CG1 4.45Å; M10-I55 HydrophobicContact CE-CG2 3.62Å; M10-I55 HydrophobicContact CG-CB 4.1Å; M10-I55 HydrophobicContact CG-CG2 4.17Å; M10-D57 HydrophobicContact CG-CB 4.31Å; M10-D57 VanDerWaalsContact SD-OD2 3.41Å; M10-K134 HydrophobicContact CE-CD 4.22Å; M10-M235 HydrophobicContact CB-CG 4.31Å; M10-M235 HydrophobicContact CB-SD 3.96Å; M10-M235 HydrophobicContact CG-SD 3.9Å; M10-M235 HydrophobicContact SD-CE 4.34Å; M10-M235 HydrophobicContact SD-CG 3.97Å; M10-M235 HydrophobicContact SD-SD 3.58Å; M10-L263 HydrophobicContact CE-CD1 3.84Å; M10-I264 PolarHBondContact N-O 3.37Å; M10-S265 WeakPolarHBondContact O-CA 3.41Å; M10-S265 VanDerWaalsContact O-CB 3.22Å; M10-S265 WeakPolarHBondContact O-CB 3.17Å; M10-S265 PolarHBondContact O-OG 3.37Å
11T98.7Very high97.4Very high0 Ų033 Ų330%017%0.173CC..SBendtrans-67.4-29.6-175.454.20000114.3W9 F15 I29 I34 I55 D57W9-T11 HydrophobicContact CH2-CG2 3.52Å; W9-T11 HydrophobicContact CZ3-CG2 3.41Å; W9-T11 VanDerWaalsContact CZ3-CG2 3.41Å; T11-F15 WeakPolarHBondContact O-CB 3.37Å; T11-F15 PolarHBondContact O-N 2.97Å; T11-I29 HydrophobicContact CG2-CD1 4.17Å; T11-I34 HydrophobicContact CG2-CD1 3.68Å; T11-I55 PolarHBondContact N-O 3.09Å; T11-D57 VanDerWaalsContact OG1-CB 3.22Å; T11-D57 WeakPolarHBondContact OG1-CB 3.19Å; T11-D57 PolarHBondContact OG1-N 3.3Å
12W98.7Very high98Very high17 Ų1736 Ų366%0.06419%0.186CC..Hα-helixtrans-61.8-60.1-155.5-171.6-124.5000115.6M10 R14 R16 C17 D57 D58 E109 D199 M235M10-W12 VanDerWaalsContact C-N 3.35Å; M10-W12 HydrophobicContact CG-CB 4.45Å; M10-W12 PolarHBondContact O-N 3.15Å; M10-W12 HydrophobicContact SD-CB 4.47Å; W12-R14 VanDerWaalsContact C-N 3.34Å; W12-R14 PolarHBondContact O-N 3.4Å; W12-R16 WeakPolarHBondContact O-CA 3.13Å; W12-R16 WeakPolarHBondContact O-CD 3.43Å; W12-R16 PolarHBondContact O-N 2.86Å; W12-C17 HydrophobicContact CZ3-CB 4.44Å; W12-D57 HydrophobicContact CB-CB 3.74Å; W12-D57 HydrophobicContact CE3-CB 4.28Å; W12-D57 HydrophobicContact CG-CB 4.44Å; W12-D58 HydrophobicContact CE3-CB 4.29Å; W12-D58 HydrophobicContact CH2-CB 4.29Å; W12-D58 HydrophobicContact CZ3-CB 3.77Å; W12-E109 HydrophobicContact CH2-CG 3.7Å; W12-E109 HydrophobicContact CZ3-CG 4.28Å; W12-D199 PolarHBondContact NE1-OD2 3.44Å; W12-M235 HydrophobicContact CB-CE 3.79Å; W12-M235 HydrophobicContact CB-SD 3.95Å; W12-M235 HydrophobicContact CG-CE 4.16Å
13Q98.5Very high98.3Very high8 Ų840.4 Ų40.44%0.03721%0.208CC..Hα-helixtrans-58.5-48.3-171.1-162.9-81.815.600111.1R16 V200 D202 M235 L237 N240 S265Q13-R16 PolarHBondContact O-NE 3.27Å; Q13-V200 HydrophobicContact CG-CG1 4.33Å; Q13-D202 VanDerWaalsContact NE2-CB 3.26Å; Q13-M235 HydrophobicContact CB-CE 3.73Å; Q13-M235 HydrophobicContact CB-SD 3.87Å; Q13-L237 HydrophobicContact CG-CD2 3.64Å; Q13-N240 PolarHBondContact OE1-ND2 3.38Å; Q13-N240 VanDerWaalsContact OE1-ND2 3.15Å; Q13-S265 WeakPolarHBondContact CB-OG 3.18Å; Q13-S265 PolarHBondContact N-OG 3.24Å; Q13-S265 VanDerWaalsContact N-OG 3.1Å
14R98.4Very high98.4Very high71 Ų7141.9 Ų41.927%0.26820%0.203SC..Hα-helixtrans-79.3-41-173.317661.4-174.793.9-3.1113.7W12 N240 S265W12-R14 VanDerWaalsContact C-N 3.34Å; W12-R14 PolarHBondContact O-N 3.4Å; R14-N240 WeakPolarHBondContact CD-OD1 3.33Å; R14-S265 WeakPolarHBondContact CB-O 3.47Å; R14-S265 PolarHBondContact N-OG 3.42Å; R14-S265 VanDerWaalsContact N-OG 3.07Å
15F98.5Very high98.4Very high10 Ų1042.8 Ų42.84%0.04421%0.21CC..Hα-helixtrans-104.6-19.7-170.3-61.1-85.5000113.3W9 T11 Q18 G27 I29 L33 D267W9-F15 HydrophobicContact CH2-CD2 4.28Å; W9-F15 HydrophobicContact CH2-CE2 4.19Å; W9-F15 AromaticContact CZ2-CD2 3.89Å; W9-F15 HydrophobicContact CZ2-CD2 3.89Å; W9-F15 AromaticContact CZ2-CE2 3.44Å; W9-F15 HydrophobicContact CZ2-CE2 3.44Å; W9-F15 VanDerWaalsContact CZ2-CE2 3.44Å; W9-F15 HydrophobicContact CZ2-CZ 4.3Å; T11-F15 WeakPolarHBondContact O-CB 3.37Å; T11-F15 PolarHBondContact O-N 2.97Å; F15-Q18 VanDerWaalsContact O-CB 3.29Å; F15-Q18 WeakPolarHBondContact O-CB 3.28Å; F15-Q18 PolarHBondContact O-N 3.21Å; F15-G27 WeakPolarHBondContact CD1-O 3.27Å; F15-I29 HydrophobicContact CB-CD1 3.63Å; F15-L33 HydrophobicContact CB-CD2 4.28Å; F15-L33 HydrophobicContact CD1-CD1 4.08Å; F15-L33 HydrophobicContact CD1-CD2 3.85Å; F15-L33 HydrophobicContact CD2-CD2 4.32Å; F15-L33 HydrophobicContact CE1-CD1 3.6Å; F15-L33 HydrophobicContact CE1-CD2 4.24Å; F15-L33 HydrophobicContact CE2-CD1 4.3Å; F15-L33 HydrophobicContact CG-CD2 3.87Å; F15-L33 HydrophobicContact CZ-CD1 3.72Å; F15-D267 HydrophobicContact CZ-CB 3.99Å
16R98.4Very high98.3Very high77 Ų7746.6 Ų46.629%0.29123%0.23SC..THydrogen-bonded Turntrans50.8-146.7176-57-71.2177.2166.611.3111.1W12 Q13 Q18 I29W12-R16 WeakPolarHBondContact O-CA 3.13Å; W12-R16 WeakPolarHBondContact O-CD 3.43Å; W12-R16 PolarHBondContact O-N 2.86Å; Q13-R16 PolarHBondContact O-NE 3.27Å; R16-Q18 VanDerWaalsContact C-N 3.29Å; R16-Q18 PolarHBondContact O-N 3.01Å; R16-I29 WeakPolarHBondContact O-CD1 3.47Å; R16-I29 WeakPolarHBondContact O-CG1 3.38Å
17C98.6Very high98.2Very high31 Ų3147.4 Ų47.421%0.20924%0.24CC..THydrogen-bonded Turntrans-89.337.8173.7-160.20000113.2W12 T19 C59 E109W12-C17 HydrophobicContact CZ3-CB 4.44Å; C17-T19 PolarHBondContact O-N 3.37Å; C17-T19 VanDerWaalsContact O-N 3.11Å; C17-C59 VanDerWaalsContact CA-SG 3.52Å; C17-C59 HydrophobicContact CB-CB 4.06Å; C17-C59 WeakPolarHBondContact CB-SG 3.41Å; C17-C59 WeakPolarHBondContact SG-CB 3.43Å; C17-C59 CovalentContact SG-SG 2.02Å; C17-C59 PolarHBondContact SG-SG 3.46Å; C17-E109 HydrophobicContact CB-CG 3.95Å
18Q98.5Very high98.2Very high55 Ų5547.2 Ų47.226%0.25724%0.238SC..  trans-71.3106.7176.9178.750.8-86.600110.3F15 R16 D20 Y24 C28 I29F15-Q18 VanDerWaalsContact O-CB 3.29Å; F15-Q18 WeakPolarHBondContact O-CB 3.28Å; F15-Q18 PolarHBondContact O-N 3.21Å; R16-Q18 VanDerWaalsContact C-N 3.29Å; R16-Q18 PolarHBondContact O-N 3.01Å; Q18-D20 VanDerWaalsContact OE1-CB 3.3Å; Q18-Y24 HydrophobicContact CG-CD2 4.35Å; Q18-Y24 HydrophobicContact CG-CG 4.37Å; Q18-C28 HydrophobicContact CG-CB 4.32Å; Q18-C28 CarbonylContact O-C 3.5Å; Q18-C28 WeakPolarHBondContact O-CA 3.33Å; Q18-I29 PolarHBondContact O-N 3.01Å
19T98.5Very high98.2Very high52 Ų5247.2 Ų47.232%0.31924%0.238SC..  trans-111.5-3.8-178.755.90000114.1C17 C21 C59C17-T19 PolarHBondContact O-N 3.37Å; C17-T19 VanDerWaalsContact O-N 3.11Å; T19-C21 PolarHBondContact O-N 3.39Å; T19-C59 HydrophobicContact CG2-CB 4.05Å
20D98.4Very high98.2Very high55 Ų5547.5 Ų47.529%0.29424%0.24SC..  trans-80.684.5176.9-177.8-4.3000111.1Q18 Q22 N23 Y24Q18-D20 VanDerWaalsContact OE1-CB 3.3Å; D20-Q22 PolarHBondContact O-N 2.7Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.39Å; D20-Q22 PolarHBondContact OD1-N 3.24Å; D20-Q22 VanDerWaalsContact OD1-N 3.08Å; D20-N23 PolarHBondContact OD1-N 2.88Å; D20-N23 WeakPolarHBondContact OD2-CB 3.21Å; D20-N23 PolarHBondContact OD2-ND2 3.16Å; D20-Y24 HydrophobicContact CB-CD2 4.15Å; D20-Y24 WeakPolarHBondContact O-CB 3.27Å; D20-Y24 PolarHBondContact O-N 3.45Å
21C98.3Very high98.2Very high41 Ų4147.9 Ų47.928%0.27724%0.242SC..THydrogen-bonded Turntrans-73.8-8.1176.5-640000114.4T19 P25 C28T19-C21 PolarHBondContact O-N 3.39Å; C21-P25 WeakPolarHBondContact O-CA 3.41Å; C21-P25 WeakPolarHBondContact O-CB 3.35Å; C21-C28 WeakPolarHBondContact CA-SG 3.47Å; C21-C28 HydrophobicContact CB-CB 3.93Å; C21-C28 WeakPolarHBondContact CB-SG 3.08Å; C21-C28 WeakPolarHBondContact SG-CB 3.5Å; C21-C28 CovalentContact SG-SG 2.03Å; C21-C28 PolarHBondContact SG-SG 2.93Å
22Q97.7Very high98.2Very high170 Ų17053.1 Ų53.179%0.79427%0.265SS*.THydrogen-bonded Turntrans-78.5-48.9175.8-178.21764.200110D20D20-Q22 PolarHBondContact O-N 2.7Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.39Å; D20-Q22 PolarHBondContact OD1-N 3.24Å; D20-Q22 VanDerWaalsContact OD1-N 3.08Å
23N98Very high98.2Very high108 Ų10852.3 Ų52.358%0.57826%0.262SS*.THydrogen-bonded Turntrans-87.6-26.3-178.9-64.8-46.3000112.9D20 P25D20-N23 PolarHBondContact OD1-N 2.88Å; D20-N23 WeakPolarHBondContact OD2-CB 3.21Å; D20-N23 PolarHBondContact OD2-ND2 3.16Å; N23-P25 VanDerWaalsContact C-CD 3.4Å; N23-P25 WeakPolarHBondContact O-CD 3.46Å
24Y97.7Very high98.2Very high129 Ų12951.9 Ų51.951%0.50626%0.26SS..  trans-126.159.6-179.4-51.5-82000111.7Q18 D20 D26 G27 C28Q18-Y24 HydrophobicContact CG-CD2 4.35Å; Q18-Y24 HydrophobicContact CG-CG 4.37Å; D20-Y24 HydrophobicContact CB-CD2 4.15Å; D20-Y24 WeakPolarHBondContact O-CB 3.27Å; D20-Y24 PolarHBondContact O-N 3.45Å; Y24-D26 PolarHBondContact O-N 2.83Å; Y24-G27 CarbonylContact O-C 3.57Å; Y24-G27 PolarHBondContact O-N 2.92Å; Y24-C28 WeakPolarHBondContact O-CB 3.25Å; Y24-C28 PolarHBondContact O-N 2.85Å
25P96.8Very high98.2Very high59 Ų5951.1 Ų51.138%0.38326%0.259SS..THydrogen-bonded Turntrans-61.6-21.6-171.725.7-36.3000114.5C21 N23C21-P25 WeakPolarHBondContact O-CA 3.41Å; C21-P25 WeakPolarHBondContact O-CB 3.35Å; N23-P25 VanDerWaalsContact C-CD 3.4Å; N23-P25 WeakPolarHBondContact O-CD 3.46Å
26D96.2Very high98.2Very high81 Ų8152.4 Ų52.443%0.43326%0.263SS..THydrogen-bonded Turntrans-100.6-15.5175.7-59.1-38.9000112.7Y24 K32 R36Y24-D26 PolarHBondContact O-N 2.83Å; D26-K32 IonicContact OD1-NZ 3.07Å; D26-K32 PolarHBondContact OD1-NZ 2.86Å; D26-R36 VanDerWaalsContact O-CZ 3.29Å; D26-R36 PolarHBondContact O-NE 2.86Å; D26-R36 PolarHBondContact O-NH2 3.04Å
27G97.1Very high98.2Very high22 Ų2248.8 Ų48.823%0.22725%0.25CC..THydrogen-bonded Turntrans-106-11.8-176.900000114.7F15 Y24F15-G27 WeakPolarHBondContact CD1-O 3.27Å; Y24-G27 CarbonylContact O-C 3.57Å; Y24-G27 PolarHBondContact O-N 2.92Å
28C98.6Very high98.2Very high1 Ų147.3 Ų47.31%0.00724%0.24CC..SBendtrans-77.7146.2179.575.40000112.5Q18 C21 Y24 S30 L33Q18-C28 HydrophobicContact CG-CB 4.32Å; Q18-C28 CarbonylContact O-C 3.5Å; Q18-C28 WeakPolarHBondContact O-CA 3.33Å; C21-C28 WeakPolarHBondContact CA-SG 3.47Å; C21-C28 HydrophobicContact CB-CB 3.93Å; C21-C28 WeakPolarHBondContact CB-SG 3.08Å; C21-C28 WeakPolarHBondContact SG-CB 3.5Å; C21-C28 CovalentContact SG-SG 2.03Å; C21-C28 PolarHBondContact SG-SG 2.93Å; Y24-C28 WeakPolarHBondContact O-CB 3.25Å; Y24-C28 PolarHBondContact O-N 2.85Å; C28-S30 PolarHBondContact O-N 3.43Å; C28-S30 PolarHBondContact O-OG 2.98Å; C28-S30 VanDerWaalsContact O-OG 3.07Å; C28-L33 WeakPolarHBondContact O-CB 3.3Å; C28-L33 WeakPolarHBondContact O-CD2 3.19Å
29I98.8Very high98.2Very high0 Ų046.7 Ų46.70%024%0.238CC..SBendtrans-65100.3173.6-56.4-53.6000109T11 F15 R16 Q18 L33 R78 F79T11-I29 HydrophobicContact CG2-CD1 4.17Å; F15-I29 HydrophobicContact CB-CD1 3.63Å; R16-I29 WeakPolarHBondContact O-CD1 3.47Å; R16-I29 WeakPolarHBondContact O-CG1 3.38Å; Q18-I29 PolarHBondContact O-N 3.01Å; I29-L33 HydrophobicContact CD1-CD2 3.97Å; I29-R78 WeakPolarHBondContact O-CD 3.47Å; I29-R78 PolarHBondContact O-NH1 3.1Å; I29-F79 HydrophobicContact CG2-CE2 4.34Å; I29-F79 HydrophobicContact CG2-CZ 4.07Å
30S98.8Very high98.2Very high6 Ų648.1 Ų48.14%0.04224%0.238CC..SBendtrans-153.7162.6-17261.90000111.7C28 K32 L33 I34 R78C28-S30 PolarHBondContact O-N 3.43Å; C28-S30 PolarHBondContact O-OG 2.98Å; C28-S30 VanDerWaalsContact O-OG 3.07Å; S30-K32 PolarHBondContact O-N 2.97Å; S30-L33 WeakPolarHBondContact O-CB 3.39Å; S30-L33 PolarHBondContact O-N 3.43Å; S30-L33 VanDerWaalsContact O-N 3.12Å; S30-L33 PolarHBondContact OG-N 2.93Å; S30-I34 WeakPolarHBondContact O-CG1 3.36Å; S30-I34 PolarHBondContact O-N 2.99Å; S30-I34 VanDerWaalsContact O-N 3.16Å; S30-R78 CarbonylContact C-O 3.45Å; S30-R78 WeakPolarHBondContact CA-O 3.47Å; S30-R78 WeakPolarHBondContact CB-O 3.33Å
31E98.6Very high98.2Very high13 Ų1345.5 Ų45.56%0.06122%0.224CC..Hα-helixtrans-54.2-37.4171.8176.8177.3152.900111.6I34 K35 R78 F79 N81 V86E31-I34 PolarHBondContact O-N 2.84Å; E31-K35 HydrophobicContact CG-CD 3.94Å; E31-K35 HydrophobicContact CG-CG 4.32Å; E31-K35 WeakPolarHBondContact O-CB 3.45Å; E31-K35 VanDerWaalsContact O-CG 3.31Å; E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 3.18Å; E31-K35 WeakPolarHBondContact OE1-CE 3.4Å; E31-K35 IonicContact OE1-NZ 2.68Å; E31-K35 PolarHBondContact OE1-NZ 3.18Å; E31-R78 PolarHBondContact N-O 3.06Å; E31-F79 HydrophobicContact CB-CD1 3.88Å; E31-F79 HydrophobicContact CB-CE1 4.48Å; E31-N81 PolarHBondContact OE1-ND2 3.05Å; E31-N81 WeakPolarHBondContact OE2-CB 3.39Å; E31-N81 PolarHBondContact OE2-N 2.86Å; E31-N81 PolarHBondContact OE2-ND2 3.42Å; E31-V86 HydrophobicContact CB-CG2 4.35Å; E31-V86 HydrophobicContact CG-CG2 4.11Å
32K98.5Very high98.2Very high109 Ų10945.1 Ų45.147%0.47422%0.22SC..Hα-helixtrans-61.1-47.4176.7-173-169.6179.6-160.40111.7D26 S30 I34 K35 R36D26-K32 IonicContact OD1-NZ 3.07Å; D26-K32 PolarHBondContact OD1-NZ 2.86Å; S30-K32 PolarHBondContact O-N 2.97Å; K32-I34 VanDerWaalsContact C-N 3.35Å; K32-I34 PolarHBondContact O-N 2.86Å; K32-K35 PolarHBondContact O-N 3.04Å; K32-R36 WeakPolarHBondContact O-CG 3.41Å; K32-R36 PolarHBondContact O-N 2.88Å
33L98.7Very high98.3Very high0 Ų043.5 Ų43.50%022%0.216CC..Hα-helixtrans-58.4-47.3177.2172.462.7000111W9 F15 C28 I29 S30 R36 T37W9-L33 HydrophobicContact CH2-CG 4.37Å; F15-L33 HydrophobicContact CB-CD2 4.28Å; F15-L33 HydrophobicContact CD1-CD1 4.08Å; F15-L33 HydrophobicContact CD1-CD2 3.85Å; F15-L33 HydrophobicContact CD2-CD2 4.32Å; F15-L33 HydrophobicContact CE1-CD1 3.6Å; F15-L33 HydrophobicContact CE1-CD2 4.24Å; F15-L33 HydrophobicContact CE2-CD1 4.3Å; F15-L33 HydrophobicContact CG-CD2 3.87Å; F15-L33 HydrophobicContact CZ-CD1 3.72Å; C28-L33 WeakPolarHBondContact O-CB 3.3Å; C28-L33 WeakPolarHBondContact O-CD2 3.19Å; I29-L33 HydrophobicContact CD1-CD2 3.97Å; S30-L33 WeakPolarHBondContact O-CB 3.39Å; S30-L33 PolarHBondContact O-N 3.43Å; S30-L33 VanDerWaalsContact O-N 3.12Å; S30-L33 PolarHBondContact OG-N 2.93Å; L33-R36 VanDerWaalsContact CD1-NH2 3.28Å; L33-R36 WeakPolarHBondContact O-CG 3.19Å; L33-T37 WeakPolarHBondContact O-CB 3.46Å; L33-T37 PolarHBondContact O-N 3.16Å; L33-T37 VanDerWaalsContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 2.78Å; L33-T37 VanDerWaalsContact O-OG1 3.08Å
34I98.8Very high98.3Very high0 Ų040.5 Ų40.50%020%0.2CC..Hα-helixtrans-66.1-43.2-177.8-53.1-49.9000111.2W9 T11 S30 E31 K32 T37 A38 V54 V56 F79 V86 L90W9-I34 HydrophobicContact CH2-CD1 4.37Å; W9-I34 HydrophobicContact CZ3-CD1 4.03Å; T11-I34 HydrophobicContact CG2-CD1 3.68Å; S30-I34 WeakPolarHBondContact O-CG1 3.36Å; S30-I34 PolarHBondContact O-N 2.99Å; S30-I34 VanDerWaalsContact O-N 3.16Å; E31-I34 PolarHBondContact O-N 2.84Å; K32-I34 VanDerWaalsContact C-N 3.35Å; K32-I34 PolarHBondContact O-N 2.86Å; I34-T37 PolarHBondContact O-N 2.57Å; I34-A38 VanDerWaalsContact O-CB 3.31Å; I34-A38 WeakPolarHBondContact O-CB 3.49Å; I34-A38 PolarHBondContact O-N 3.14Å; I34-V54 HydrophobicContact CG2-CG1 3.82Å; I34-V56 HydrophobicContact CD1-CG2 3.77Å; I34-V56 HydrophobicContact CG1-CG2 3.86Å; I34-V56 HydrophobicContact CG2-CG2 4.47Å; I34-F79 HydrophobicContact CG1-CE1 4.44Å; I34-V86 HydrophobicContact CB-CG1 3.96Å; I34-V86 HydrophobicContact CG1-CG1 4.4Å; I34-V86 HydrophobicContact CG2-CG1 3.47Å; I34-V86 VanDerWaalsContact CG2-CG1 3.47Å; I34-L90 HydrophobicContact CG2-CD1 4.28Å; I34-L90 HydrophobicContact CG2-CD2 4.32Å
35K98.6Very high98.3Very high55 Ų5535.1 Ų35.124%0.23918%0.184CC..Hα-helixtrans-65.4-45.8179.5-72.1-174.7169.1173.80112.5E31 K32 T37 A38 D39 Y89E31-K35 HydrophobicContact CG-CD 3.94Å; E31-K35 HydrophobicContact CG-CG 4.32Å; E31-K35 WeakPolarHBondContact O-CB 3.45Å; E31-K35 VanDerWaalsContact O-CG 3.31Å; E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 3.18Å; E31-K35 WeakPolarHBondContact OE1-CE 3.4Å; E31-K35 IonicContact OE1-NZ 2.68Å; E31-K35 PolarHBondContact OE1-NZ 3.18Å; K32-K35 PolarHBondContact O-N 3.04Å; K35-T37 VanDerWaalsContact C-N 3.34Å; K35-T37 PolarHBondContact O-N 3.35Å; K35-A38 WeakPolarHBondContact O-CB 3.45Å; K35-A38 PolarHBondContact O-N 2.8Å; K35-D39 PolarHBondContact O-N 3.31Å; K35-Y89 HydrophobicContact CB-CD1 4.22Å; K35-Y89 HydrophobicContact CB-CE1 3.85Å; K35-Y89 HydrophobicContact CD-CD1 4.3Å; K35-Y89 HydrophobicContact CD-CD2 4.34Å; K35-Y89 HydrophobicContact CD-CE1 4.39Å; K35-Y89 HydrophobicContact CD-CE2 4.44Å; K35-Y89 HydrophobicContact CD-CG 4.25Å; K35-Y89 HydrophobicContact CG-CD1 3.63Å; K35-Y89 HydrophobicContact CG-CE1 3.75Å; K35-Y89 HydrophobicContact CG-CG 4.03Å
36R98.1Very high98.4Very high36 Ų3632.4 Ų32.414%0.13617%0.166CC..Hα-helixtrans-62.3-42.4178.175.6178.8-176.289.52.2111.6D26 K32 L33 D39 R40 D267 D269D26-R36 VanDerWaalsContact O-CZ 3.29Å; D26-R36 PolarHBondContact O-NE 2.86Å; D26-R36 PolarHBondContact O-NH2 3.04Å; K32-R36 WeakPolarHBondContact O-CG 3.41Å; K32-R36 PolarHBondContact O-N 2.88Å; L33-R36 VanDerWaalsContact CD1-NH2 3.28Å; L33-R36 WeakPolarHBondContact O-CG 3.19Å; R36-D39 PolarHBondContact O-N 3.1Å; R36-R40 PolarHBondContact O-N 3.42Å; R36-R40 VanDerWaalsContact O-N 3.07Å; R36-D267 IonicContact CZ-OD1 2.67Å; R36-D267 IonicContact NH1-OD1 3.09Å; R36-D267 PolarHBondContact NH1-OD1 2.89Å; R36-D267 IonicContact NH2-OD1 3.66Å; R36-D267 PolarHBondContact NH2-OD1 2.97Å; R36-D267 VanDerWaalsContact NH2-OD1 3.13Å; R36-D267 IonicContact NH2-OD2 3.53Å; R36-D269 IonicContact CZ-OD2 3.36Å; R36-D269 IonicContact NH1-OD2 2.73Å; R36-D269 PolarHBondContact NH1-OD2 2.78Å
37T98.7Very high98.5Very high1 Ų130.7 Ų30.71%0.00615%0.154CC..Hα-helixtrans-62.6-44.7175.7-66.90000111.3W9 L33 I34 K35 D39 R40 L41 M268W9-T37 HydrophobicContact CD2-CG2 3.63Å; W9-T37 HydrophobicContact CE3-CG2 3.91Å; W9-T37 HydrophobicContact CG-CG2 4.02Å; W9-T37 HydrophobicContact CH2-CG2 4.11Å; W9-T37 HydrophobicContact CZ2-CG2 3.85Å; W9-T37 HydrophobicContact CZ3-CG2 4.15Å; L33-T37 WeakPolarHBondContact O-CB 3.46Å; L33-T37 PolarHBondContact O-N 3.16Å; L33-T37 VanDerWaalsContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 2.78Å; L33-T37 VanDerWaalsContact O-OG1 3.08Å; I34-T37 PolarHBondContact O-N 2.57Å; K35-T37 VanDerWaalsContact C-N 3.34Å; K35-T37 PolarHBondContact O-N 3.35Å; T37-D39 VanDerWaalsContact C-N 3.29Å; T37-D39 PolarHBondContact O-N 3.39Å; T37-R40 PolarHBondContact O-N 2.9Å; T37-L41 HydrophobicContact CG2-CD1 4.14Å; T37-L41 HydrophobicContact CG2-CG 4.37Å; T37-L41 WeakPolarHBondContact O-CG 3.41Å; T37-L41 PolarHBondContact O-N 3.08Å; T37-M268 HydrophobicContact CG2-CG 3.86Å
38A98.8Very high98.5Very high0 Ų034.6 Ų34.60%017%0.169CC..Hα-helixtrans-58.6-41.2176.700000112.2I34 K35 L41 V42 Y89 L90 L95I34-A38 VanDerWaalsContact O-CB 3.31Å; I34-A38 WeakPolarHBondContact O-CB 3.49Å; I34-A38 PolarHBondContact O-N 3.14Å; K35-A38 WeakPolarHBondContact O-CB 3.45Å; K35-A38 PolarHBondContact O-N 2.8Å; A38-L41 PolarHBondContact O-N 2.98Å; A38-V42 PolarHBondContact O-N 3.28Å; A38-Y89 HydrophobicContact CB-CD1 4.42Å; A38-Y89 HydrophobicContact CB-CE1 4.17Å; A38-L90 HydrophobicContact CB-CD2 3.52Å; A38-L95 HydrophobicContact CB-CD1 3.74Å
39D98.7Very high98.5Very high43 Ų4337.4 Ų37.423%0.2318%0.184CC..Hα-helixtrans-64.2-42.3176.3-70.5-35000111.8K35 R36 T37 V42 L43 Y89 K93K35-D39 PolarHBondContact O-N 3.31Å; R36-D39 PolarHBondContact O-N 3.1Å; T37-D39 VanDerWaalsContact C-N 3.29Å; T37-D39 PolarHBondContact O-N 3.39Å; D39-V42 PolarHBondContact O-N 2.67Å; D39-L43 HydrophobicContact CB-CD1 4.46Å; D39-L43 VanDerWaalsContact O-CB 3.3Å; D39-L43 WeakPolarHBondContact O-CB 3.3Å; D39-L43 VanDerWaalsContact O-CG 3.25Å; D39-L43 WeakPolarHBondContact O-CG 3.23Å; D39-L43 PolarHBondContact O-N 3.1Å; D39-Y89 PolarHBondContact OD1-OH 2.92Å; D39-Y89 PolarHBondContact OD2-OH 3.02Å; D39-K93 WeakPolarHBondContact OD1-CE 3.35Å; D39-K93 IonicContact OD1-NZ 2.85Å; D39-K93 PolarHBondContact OD1-NZ 2.6Å
40R98.4Very high98.5Very high82 Ų8238.6 Ų38.631%0.30920%0.196SC..Hα-helixtrans-63.2-42.3173.4-64.7-53.8-61.7177.6-0.6112.9R36 T37 V42 L43 D44 M268 D269R36-R40 PolarHBondContact O-N 3.42Å; R36-R40 VanDerWaalsContact O-N 3.07Å; T37-R40 PolarHBondContact O-N 2.9Å; R40-V42 PolarHBondContact O-N 2.82Å; R40-L43 PolarHBondContact O-N 2.96Å; R40-D44 VanDerWaalsContact CZ-CG 3.45Å; R40-D44 IonicContact CZ-OD1 3.73Å; R40-D44 IonicContact CZ-OD2 3.51Å; R40-D44 IonicContact NE-OD1 3.68Å; R40-D44 IonicContact NE-OD2 3.53Å; R40-D44 PolarHBondContact NE-OD2 2.68Å; R40-D44 IonicContact NH1-OD1 3.17Å; R40-D44 IonicContact NH2-OD1 3.58Å; R40-D44 PolarHBondContact NH2-OD1 3.18Å; R40-D44 IonicContact NH2-OD2 3.92Å; R40-D44 PolarHBondContact NH2-OD2 3.44Å; R40-D44 VanDerWaalsContact O-CB 3.3Å; R40-D44 WeakPolarHBondContact O-CB 3.38Å; R40-D44 PolarHBondContact O-N 3.44Å; R40-M268 HydrophobicContact CB-CB 3.89Å; R40-M268 HydrophobicContact CG-CB 4.31Å; R40-D269 WeakPolarHBondContact CD-OD1 3.32Å; R40-D269 WeakPolarHBondContact CG-OD1 3.18Å; R40-D269 IonicContact NE-OD1 3.06Å
41L98.7Very high98.5Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-57.8-34.3177.3-72.1173000112.3W9 T37 A38 W46 R47 V54 L95 M268W9-L41 HydrophobicContact CB-CD1 4.26Å; T37-L41 HydrophobicContact CG2-CD1 4.14Å; T37-L41 HydrophobicContact CG2-CG 4.37Å; T37-L41 WeakPolarHBondContact O-CG 3.41Å; T37-L41 PolarHBondContact O-N 3.08Å; A38-L41 PolarHBondContact O-N 2.98Å; L41-W46 HydrophobicContact CB-CB 4.41Å; L41-W46 HydrophobicContact CD2-CB 3.64Å; L41-W46 HydrophobicContact CD2-CG 4.01Å; L41-W46 WeakPolarHBondContact O-CB 3.4Å; L41-W46 PolarHBondContact O-N 2.79Å; L41-R47 PolarHBondContact O-N 2.99Å; L41-V54 HydrophobicContact CD1-CG2 3.44Å; L41-V54 VanDerWaalsContact CD1-CG2 3.44Å; L41-L95 HydrophobicContact CB-CD1 4.33Å; L41-L95 HydrophobicContact CB-CD2 4.33Å; L41-L95 HydrophobicContact CD1-CD1 4.43Å; L41-L95 HydrophobicContact CD1-CD2 4.46Å; L41-M268 HydrophobicContact CD2-CE 3.92Å
42V98.6Very high98.5Very high33 Ų3342.2 Ų42.220%0.221%0.208CC..Hα-helixtrans-81.9-55.5175.1176.30000112.2A38 D39 R40 D44 G45 K93 L95A38-V42 PolarHBondContact O-N 3.28Å; D39-V42 PolarHBondContact O-N 2.67Å; R40-V42 PolarHBondContact O-N 2.82Å; V42-D44 VanDerWaalsContact C-N 3.26Å; V42-D44 PolarHBondContact O-N 3.28Å; V42-G45 PolarHBondContact O-N 3.21Å; V42-K93 HydrophobicContact CG2-CB 3.88Å; V42-K93 HydrophobicContact CG2-CD 4.38Å; V42-L95 HydrophobicContact CG2-CD1 4.26Å; V42-L95 HydrophobicContact CG2-CG 4.49Å
43L98.3Very high98.5Very high135 Ų13538.4 Ų38.471%0.70719%0.191SC*.Hα-helixtrans-62.3-34.4-171.6-71.7172.2000112.3D39 R40 G45D39-L43 HydrophobicContact CB-CD1 4.46Å; D39-L43 VanDerWaalsContact O-CB 3.3Å; D39-L43 WeakPolarHBondContact O-CB 3.3Å; D39-L43 VanDerWaalsContact O-CG 3.25Å; D39-L43 WeakPolarHBondContact O-CG 3.23Å; D39-L43 PolarHBondContact O-N 3.1Å; R40-L43 PolarHBondContact O-N 2.96Å; L43-G45 VanDerWaalsContact C-N 3.34Å
44D98.1Very high98.5Very high45 Ų4538.4 Ų38.424%0.24119%0.191CC..THydrogen-bonded Turntrans-89.3-2.1178.7-57.1-23.8000112.4R40 V42 R280R40-D44 VanDerWaalsContact CZ-CG 3.45Å; R40-D44 IonicContact CZ-OD1 3.73Å; R40-D44 IonicContact CZ-OD2 3.51Å; R40-D44 IonicContact NE-OD1 3.68Å; R40-D44 IonicContact NE-OD2 3.53Å; R40-D44 PolarHBondContact NE-OD2 2.68Å; R40-D44 IonicContact NH1-OD1 3.17Å; R40-D44 IonicContact NH2-OD1 3.58Å; R40-D44 PolarHBondContact NH2-OD1 3.18Å; R40-D44 IonicContact NH2-OD2 3.92Å; R40-D44 PolarHBondContact NH2-OD2 3.44Å; R40-D44 VanDerWaalsContact O-CB 3.3Å; R40-D44 WeakPolarHBondContact O-CB 3.38Å; R40-D44 PolarHBondContact O-N 3.44Å; V42-D44 VanDerWaalsContact C-N 3.26Å; V42-D44 PolarHBondContact O-N 3.28Å; D44-R280 PolarHBondContact O-NH1 2.86Å; D44-R280 PolarHBondContact O-NH2 3.42Å
45G98.2Very high98.5Very high16 Ų1638.4 Ų38.417%0.16519%0.191CC..THydrogen-bonded Turntrans79.215177.900000115.7V42 L43 R47 D48 L49V42-G45 PolarHBondContact O-N 3.21Å; L43-G45 VanDerWaalsContact C-N 3.34Å; G45-R47 VanDerWaalsContact C-N 3.34Å; G45-R47 PolarHBondContact O-N 2.93Å; G45-D48 PolarHBondContact O-N 2.93Å; G45-L49 PolarHBondContact O-N 3.33Å
46W98.6Very high98.5Very high2 Ų235.8 Ų35.81%0.00818%0.18CC..THydrogen-bonded Turntrans-62.1-40.8175-62106000112.4L41 D48 L49 G50 Y51 M268 L271 V276 L279 R280L41-W46 HydrophobicContact CB-CB 4.41Å; L41-W46 HydrophobicContact CD2-CB 3.64Å; L41-W46 HydrophobicContact CD2-CG 4.01Å; L41-W46 WeakPolarHBondContact O-CB 3.4Å; L41-W46 PolarHBondContact O-N 2.79Å; W46-D48 PolarHBondContact O-N 2.75Å; W46-L49 HydrophobicContact CE3-CD1 4.28Å; W46-L49 WeakPolarHBondContact O-CB 3.42Å; W46-L49 PolarHBondContact O-N 2.8Å; W46-L49 VanDerWaalsContact O-N 3.17Å; W46-G50 PolarHBondContact O-N 3.05Å; W46-Y51 HydrophobicContact CB-CD2 4.46Å; W46-Y51 AromaticContact CE3-CD2 3.97Å; W46-Y51 HydrophobicContact CE3-CD2 3.97Å; W46-Y51 HydrophobicContact CE3-CE2 4.05Å; W46-Y51 HydrophobicContact CZ3-CE2 4.4Å; W46-Y51 WeakPolarHBondContact O-CB 3.47Å; W46-Y51 PolarHBondContact O-N 3.17Å; W46-Y51 VanDerWaalsContact O-N 3.13Å; W46-M268 HydrophobicContact CD2-CE 4.03Å; W46-M268 HydrophobicContact CG-CE 4.07Å; W46-M268 HydrophobicContact CZ2-CE 4.26Å; W46-L271 HydrophobicContact CH2-CD1 4.12Å; W46-L271 HydrophobicContact CZ2-CD1 3.51Å; W46-V276 HydrophobicContact CH2-CB 4.34Å; W46-V276 HydrophobicContact CH2-CG1 4.03Å; W46-V276 HydrophobicContact CH2-CG2 4.21Å; W46-V276 HydrophobicContact CZ2-CG1 4.25Å; W46-V276 HydrophobicContact CZ2-CG2 4.08Å; W46-L279 HydrophobicContact CH2-CB 3.93Å; W46-L279 HydrophobicContact CH2-CD1 4.18Å; W46-L279 HydrophobicContact CZ3-CB 3.56Å; W46-L279 HydrophobicContact CZ3-CD1 4.34Å; W46-R280 HydrophobicContact CE3-CG 4.26Å; W46-R280 HydrophobicContact CH2-CG 3.78Å; W46-R280 HydrophobicContact CZ3-CG 3.49Å; W46-R280 VanDerWaalsContact CZ3-CG 3.49Å
47R98.4Very high98.5Very high46 Ų4634 Ų3417%0.17417%0.173CC..THydrogen-bonded Turntrans-54.4-41.5174.7-179.3-162.165.3-156.4-8.5111.8L41 G45 L49 G50 Y51 R52 K93 L95L41-R47 PolarHBondContact O-N 2.99Å; G45-R47 VanDerWaalsContact C-N 3.34Å; G45-R47 PolarHBondContact O-N 2.93Å; R47-L49 VanDerWaalsContact C-N 3.31Å; R47-G50 PolarHBondContact O-N 3.28Å; R47-G50 VanDerWaalsContact O-N 3.1Å; R47-Y51 WeakPolarHBondContact CA-O 3.38Å; R47-R52 HydrophobicContact CG-CG 4.21Å; R47-K93 WeakPolarHBondContact CD-O 3.09Å; R47-K93 PolarHBondContact NH1-O 3.38Å; R47-L95 HydrophobicContact CB-CD2 3.99Å; R47-L95 HydrophobicContact CG-CD2 3.84Å
48D98.1Very high98.5Very high104 Ų10434 Ų3456%0.55617%0.173SC*.THydrogen-bonded Turntrans-76.3-23.5-174.4-60.8-17.6000111.6G45 W46 G50G45-D48 PolarHBondContact O-N 2.93Å; W46-D48 PolarHBondContact O-N 2.75Å; D48-G50 VanDerWaalsContact C-N 3.28Å
49L98.1Very high98.5Very high59 Ų5934 Ų3431%0.30917%0.173SC..THydrogen-bonded Turntrans-76.4-10.6168-68.8168.8000113.9G45 W46 R47 Y51 R280 L285G45-L49 PolarHBondContact O-N 3.33Å; W46-L49 HydrophobicContact CE3-CD1 4.28Å; W46-L49 WeakPolarHBondContact O-CB 3.42Å; W46-L49 PolarHBondContact O-N 2.8Å; W46-L49 VanDerWaalsContact O-N 3.17Å; R47-L49 VanDerWaalsContact C-N 3.31Å; L49-Y51 HydrophobicContact CB-CD2 4.17Å; L49-Y51 HydrophobicContact CB-CE2 4.44Å; L49-R280 HydrophobicContact CD1-CB 3.99Å; L49-R280 HydrophobicContact CD1-CG 3.55Å; L49-L285 HydrophobicContact CB-CD1 4.34Å; L49-L285 HydrophobicContact CD2-CD1 4.36Å
50G98.1Very high98.5Very high25 Ų2532.1 Ų32.126%0.25816%0.163SC..THydrogen-bonded Turntrans115.5-12.1178.100000115.1M7 W46 R47 D48 R52M7-G50 WeakPolarHBondContact CB-O 3.14Å; W46-G50 PolarHBondContact O-N 3.05Å; R47-G50 PolarHBondContact O-N 3.28Å; R47-G50 VanDerWaalsContact O-N 3.1Å; D48-G50 VanDerWaalsContact C-N 3.28Å; G50-R52 VanDerWaalsContact C-N 3.32Å; G50-R52 WeakPolarHBondContact O-CG 3.28Å; G50-R52 PolarHBondContact O-N 3.28Å
51Y98.7Very high98.6Very high0 Ų028.4 Ų28.40%015%0.149CC..  trans-70.484176.9-63.9-84.1000111M7 W46 R47 L49 L262 I264 L279M7-Y51 HydrophobicContact CB-CD1 4.02Å; M7-Y51 HydrophobicContact CB-CE1 4.39Å; M7-Y51 HydrophobicContact CB-CG 4.42Å; M7-Y51 HydrophobicContact CE-CD1 4.02Å; M7-Y51 HydrophobicContact CE-CD2 3.74Å; M7-Y51 HydrophobicContact CE-CE1 3.74Å; M7-Y51 HydrophobicContact CE-CE2 3.45Å; M7-Y51 VanDerWaalsContact CE-CE2 3.45Å; M7-Y51 HydrophobicContact CE-CG 4.02Å; M7-Y51 VanDerWaalsContact CE-CZ 3.45Å; W46-Y51 HydrophobicContact CB-CD2 4.46Å; W46-Y51 AromaticContact CE3-CD2 3.97Å; W46-Y51 HydrophobicContact CE3-CD2 3.97Å; W46-Y51 HydrophobicContact CE3-CE2 4.05Å; W46-Y51 HydrophobicContact CZ3-CE2 4.4Å; W46-Y51 WeakPolarHBondContact O-CB 3.47Å; W46-Y51 PolarHBondContact O-N 3.17Å; W46-Y51 VanDerWaalsContact O-N 3.13Å; R47-Y51 WeakPolarHBondContact CA-O 3.38Å; L49-Y51 HydrophobicContact CB-CD2 4.17Å; L49-Y51 HydrophobicContact CB-CE2 4.44Å; Y51-L262 HydrophobicContact CE1-CB 4.13Å; Y51-I264 HydrophobicContact CD1-CD1 3.61Å; Y51-I264 HydrophobicContact CD1-CG1 4.13Å; Y51-I264 HydrophobicContact CE1-CD1 3.49Å; Y51-I264 VanDerWaalsContact CE1-CD1 3.49Å; Y51-I264 HydrophobicContact CE1-CG1 3.81Å; Y51-I264 HydrophobicContact CE2-CD1 4.5Å; Y51-I264 HydrophobicContact CG-CD1 4.19Å; Y51-L279 WeakPolarHBondContact CE2-O 3.41Å; Y51-L279 PolarHBondContact OH-O 3.35Å
52R98.5Very high98.5Very high96 Ų9630.5 Ų30.536%0.36216%0.159SC..  trans-108.9-25.6-168-71.3-178.1-178.5-149.97.6114.1M7 R47 G50 L95 R96M7-R52 PolarHBondContact O-N 3.25Å; R47-R52 HydrophobicContact CG-CG 4.21Å; G50-R52 VanDerWaalsContact C-N 3.32Å; G50-R52 WeakPolarHBondContact O-CG 3.28Å; G50-R52 PolarHBondContact O-N 3.28Å; R52-L95 CarbonylContact O-C 3.6Å; R52-R96 PolarHBondContact O-N 3.01Å
53Y98.8Very high98.5Very high28 Ų2836.3 Ų36.311%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-81.1136178.2-66.5-85.5000110.9P6 M7 G8 W9 R96 D131 Y132 V164P6-Y53 HydrophobicContact CB-CD2 4Å; P6-Y53 HydrophobicContact CB-CE2 3.93Å; M7-Y53 WeakPolarHBondContact O-CD2 3.41Å; M7-Y53 PolarHBondContact O-N 3.49Å; G8-Y53 CarbonylContact C-O 3.5Å; G8-Y53 WeakPolarHBondContact CA-O 3.41Å; W9-Y53 PolarHBondContact N-O 2.97Å; Y53-R96 CarbonylContact C-O 3.6Å; Y53-R96 WeakPolarHBondContact CA-O 3.07Å; Y53-R96 HydrophobicContact CD1-CB 3.6Å; Y53-R96 HydrophobicContact CD1-CG 4.5Å; Y53-R96 HydrophobicContact CE1-CB 3.82Å; Y53-R96 VanDerWaalsContact CE1-CD 3.49Å; Y53-R96 HydrophobicContact CE1-CG 4.31Å; Y53-R96 HydrophobicContact CG-CB 4.21Å; Y53-R96 VanDerWaalsContact CZ-CD 3.49Å; Y53-D131 HydrophobicContact CE1-CB 4.39Å; Y53-Y132 HydrophobicContact CD1-CD2 4.15Å; Y53-Y132 HydrophobicContact CD1-CG 4.35Å; Y53-Y132 HydrophobicContact CE1-CD2 4.3Å; Y53-V164 HydrophobicContact CE1-CG2 4.3Å; Y53-V164 WeakPolarHBondContact OH-CG2 3.39Å
54V98.9Very high98.5Very high0 Ų037.9 Ų37.90%018%0.178CC..EExtended strand (participates in β ladder)trans-121.2107.2168-178.60000107.3W9 I34 L41 L90 L95 R96 G98W9-V54 HydrophobicContact CE3-CG1 3.97Å; W9-V54 HydrophobicContact CZ3-CG1 4.24Å; W9-V54 WeakPolarHBondContact O-CA 3.45Å; I34-V54 HydrophobicContact CG2-CG1 3.82Å; L41-V54 HydrophobicContact CD1-CG2 3.44Å; L41-V54 VanDerWaalsContact CD1-CG2 3.44Å; V54-L90 HydrophobicContact CB-CD1 3.95Å; V54-L90 HydrophobicContact CB-CD2 3.8Å; V54-L90 HydrophobicContact CG1-CD1 4.26Å; V54-L90 HydrophobicContact CG1-CD2 4.03Å; V54-L90 HydrophobicContact CG2-CD2 3.77Å; V54-L95 HydrophobicContact CG2-CB 4.48Å; V54-L95 HydrophobicContact CG2-CD1 4.1Å; V54-R96 PolarHBondContact N-O 2.93Å; V54-G98 PolarHBondContact O-N 3.06Å
55I98.9Very high98.5Very high0 Ų037.2 Ų37.20%017%0.172CC..EExtended strand (participates in β ladder)trans-106.7115.4-169.1-54.6162.2000109.3W9 M10 T11 G98 Y132 L263W9-I55 PolarHBondContact O-N 3.1Å; M10-I55 WeakPolarHBondContact CA-O 3.49Å; M10-I55 HydrophobicContact CB-CB 4.17Å; M10-I55 HydrophobicContact CE-CB 4.03Å; M10-I55 HydrophobicContact CE-CD1 3.68Å; M10-I55 HydrophobicContact CE-CG1 4.45Å; M10-I55 HydrophobicContact CE-CG2 3.62Å; M10-I55 HydrophobicContact CG-CB 4.1Å; M10-I55 HydrophobicContact CG-CG2 4.17Å; T11-I55 PolarHBondContact N-O 3.09Å; I55-G98 WeakPolarHBondContact CA-O 3.33Å; I55-Y132 HydrophobicContact CD1-CD1 4.01Å; I55-Y132 HydrophobicContact CD1-CD2 4.28Å; I55-Y132 HydrophobicContact CD1-CE1 3.76Å; I55-Y132 HydrophobicContact CD1-CE2 4.03Å; I55-Y132 HydrophobicContact CD1-CG 4.28Å; I55-Y132 HydrophobicContact CG1-CD1 4.03Å; I55-Y132 HydrophobicContact CG1-CE1 4.22Å; I55-Y132 HydrophobicContact CG1-CG 4.34Å; I55-Y132 HydrophobicContact CG2-CD1 4.24Å; I55-Y132 HydrophobicContact CG2-CE1 4.18Å; I55-L263 HydrophobicContact CD1-CD1 3.98Å; I55-L263 HydrophobicContact CD1-CD2 3.82Å
56V98.8Very high98.5Very high0 Ų038.9 Ų38.90%018%0.177CC..EExtended strand (participates in β ladder)trans-84.9110.7172.4-172.40000107.9I34 W60 F79 F97 G98 I99 Y100I34-V56 HydrophobicContact CD1-CG2 3.77Å; I34-V56 HydrophobicContact CG1-CG2 3.86Å; I34-V56 HydrophobicContact CG2-CG2 4.47Å; V56-W60 HydrophobicContact CG1-CB 3.68Å; V56-W60 HydrophobicContact CG1-CG 4.27Å; V56-F79 HydrophobicContact CG1-CZ 4.46Å; V56-F97 HydrophobicContact CG2-CE2 4.04Å; V56-G98 PolarHBondContact N-O 3.19Å; V56-I99 HydrophobicContact CB-CD1 3.94Å; V56-I99 HydrophobicContact CG1-CD1 4.37Å; V56-I99 CarbonylContact O-C 3.58Å; V56-Y100 VanDerWaalsContact O-CB 3.31Å; V56-Y100 WeakPolarHBondContact O-CB 3.33Å; V56-Y100 PolarHBondContact O-N 3.14Å
57D98.8Very high98.4Very high0 Ų044.5 Ų44.50%022%0.217CC..  trans-80.6-159.9179.4-146.6-86.9000112.1M10 T11 W12 Y100 K134M10-D57 HydrophobicContact CG-CB 4.31Å; M10-D57 VanDerWaalsContact SD-OD2 3.41Å; T11-D57 VanDerWaalsContact OG1-CB 3.22Å; T11-D57 WeakPolarHBondContact OG1-CB 3.19Å; T11-D57 PolarHBondContact OG1-N 3.3Å; W12-D57 HydrophobicContact CB-CB 3.74Å; W12-D57 HydrophobicContact CE3-CB 4.28Å; W12-D57 HydrophobicContact CG-CB 4.44Å; D57-Y100 VanDerWaalsContact C-CB 3.49Å; D57-Y100 WeakPolarHBondContact OD1-CD2 3.28Å; D57-K134 VanDerWaalsContact CG-NZ 3.32Å; D57-K134 IonicContact OD1-NZ 2.63Å; D57-K134 PolarHBondContact OD1-NZ 3.45Å; D57-K134 VanDerWaalsContact OD1-NZ 3.09Å; D57-K134 VanDerWaalsContact OD2-CD 3.28Å; D57-K134 WeakPolarHBondContact OD2-CD 3.48Å; D57-K134 IonicContact OD2-NZ 3.79Å; D57-K134 PolarHBondContact OD2-NZ 2.83Å
58D98.6Very high98.4Very high1 Ų152.5 Ų52.51%0.00525%0.247CC..THydrogen-bonded Turntrans-54.5166-177.7-151.1-12.8000113.4W12 W60 Y100 T107 C108 E109W12-D58 HydrophobicContact CE3-CB 4.29Å; W12-D58 HydrophobicContact CH2-CB 4.29Å; W12-D58 HydrophobicContact CZ3-CB 3.77Å; D58-W60 VanDerWaalsContact C-N 3.31Å; D58-W60 PolarHBondContact O-N 3.47Å; D58-Y100 HydrophobicContact CB-CD1 3.95Å; D58-Y100 HydrophobicContact CB-CE1 3.56Å; D58-Y100 HydrophobicContact CB-CE2 4.37Å; D58-Y100 HydrophobicContact CB-CG 4.49Å; D58-Y100 WeakPolarHBondContact OD1-CE1 3.16Å; D58-Y100 PolarHBondContact OD2-OH 2.97Å; D58-Y100 VanDerWaalsContact OD2-OH 3.09Å; D58-T107 VanDerWaalsContact CG-OG1 3.32Å; D58-T107 WeakPolarHBondContact OD1-CB 3.21Å; D58-T107 PolarHBondContact OD1-OG1 2.99Å; D58-T107 WeakPolarHBondContact OD2-CB 3.46Å; D58-T107 PolarHBondContact OD2-OG1 3.14Å; D58-C108 PolarHBondContact OD2-N 3.17Å; D58-E109 PolarHBondContact OD2-N 3.48Å
59C98.7Very high98.4Very high0 Ų049.9 Ų49.90%024%0.235CC..THydrogen-bonded Turntrans71.811.7177.2-45.90000116.2C17 T19 P61 R78 E109 Y111C17-C59 VanDerWaalsContact CA-SG 3.52Å; C17-C59 HydrophobicContact CB-CB 4.06Å; C17-C59 WeakPolarHBondContact CB-SG 3.41Å; C17-C59 WeakPolarHBondContact SG-CB 3.43Å; C17-C59 CovalentContact SG-SG 2.02Å; C17-C59 PolarHBondContact SG-SG 3.46Å; T19-C59 HydrophobicContact CG2-CB 4.05Å; C59-P61 VanDerWaalsContact C-CD 3.46Å; C59-R78 PolarHBondContact O-NH1 3.47Å; C59-R78 PolarHBondContact O-NH2 3.34Å; C59-E109 VanDerWaalsContact SG-CB 3.5Å; C59-E109 VanDerWaalsContact SG-CG 3.55Å; C59-Y111 HydrophobicContact CB-CD2 4.42Å; C59-Y111 HydrophobicContact CB-CE2 3.7Å; C59-Y111 VanDerWaalsContact SG-CE2 3.52Å
60W98.8Very high98.4Very high3 Ų350.6 Ų50.61%0.01124%0.239CC..  trans-73.5-31.9170.675.3-93.1000116V56 D58 I72 A74 D75 F79 I83 I99 Y100 W128V56-W60 HydrophobicContact CG1-CB 3.68Å; V56-W60 HydrophobicContact CG1-CG 4.27Å; D58-W60 VanDerWaalsContact C-N 3.31Å; D58-W60 PolarHBondContact O-N 3.47Å; W60-I72 HydrophobicContact CH2-CB 4.23Å; W60-I72 HydrophobicContact CH2-CG2 3.54Å; W60-I72 HydrophobicContact CZ2-CB 4.42Å; W60-I72 HydrophobicContact CZ2-CG2 3.63Å; W60-I72 HydrophobicContact CZ3-CG2 4.38Å; W60-A74 HydrophobicContact CE3-CB 3.93Å; W60-A74 HydrophobicContact CZ3-CB 3.82Å; W60-D75 PolarHBondContact O-N 3.19Å; W60-F79 HydrophobicContact CB-CE2 4.05Å; W60-F79 HydrophobicContact CB-CZ 4.13Å; W60-F79 WeakPolarHBondContact O-CE2 3.47Å; W60-I83 HydrophobicContact CE3-CB 4.25Å; W60-I83 HydrophobicContact CE3-CD1 4.12Å; W60-I83 HydrophobicContact CE3-CG1 4.15Å; W60-I83 HydrophobicContact CH2-CG2 4.38Å; W60-I83 HydrophobicContact CZ3-CB 3.96Å; W60-I83 HydrophobicContact CZ3-CG1 4.18Å; W60-I83 HydrophobicContact CZ3-CG2 3.98Å; W60-I99 HydrophobicContact CD2-CD1 3.88Å; W60-I99 HydrophobicContact CG-CD1 3.97Å; W60-I99 HydrophobicContact CZ2-CD1 4.25Å; W60-I99 HydrophobicContact CZ2-CG1 4.18Å; W60-Y100 PolarHBondContact NE1-O 3.37Å; W60-W128 AromaticContact CH2-CH2 3.45Å; W60-W128 HydrophobicContact CH2-CH2 3.45Å; W60-W128 VanDerWaalsContact CH2-CH2 3.45Å; W60-W128 AromaticContact CH2-CZ2 3.88Å; W60-W128 HydrophobicContact CH2-CZ2 3.88Å; W60-W128 AromaticContact CH2-CZ3 3.88Å; W60-W128 HydrophobicContact CH2-CZ3 3.88Å; W60-W128 AromaticContact CZ2-CH2 3.77Å; W60-W128 HydrophobicContact CZ2-CH2 3.77Å; W60-W128 AromaticContact CZ2-CZ3 3.91Å; W60-W128 HydrophobicContact CZ2-CZ3 3.91Å
61P98.7Very high98.4Very high3 Ų351.3 Ų51.32%0.01924%0.236CC..BIsolated β-bridgetrans-88.9173-170.936-33.2000112.9C59 I72 V73 R78 Y111C59-P61 VanDerWaalsContact C-CD 3.46Å; P61-I72 HydrophobicContact CB-CG2 3.35Å; P61-I72 HydrophobicContact CG-CG2 4.07Å; P61-V73 CarbonylContact C-O 3.47Å; P61-V73 WeakPolarHBondContact CA-O 3.46Å; P61-V73 VanDerWaalsContact CB-O 3.28Å; P61-V73 WeakPolarHBondContact CB-O 3.19Å; P61-R78 PolarHBondContact O-NH2 3.29Å; P61-Y111 HydrophobicContact CG-CD1 3.77Å; P61-Y111 HydrophobicContact CG-CG 4.02Å; P61-Y111 WeakPolarHBondContact O-CD1 3.25Å; P61-Y111 WeakPolarHBondContact O-CE1 3.3Å
62E98.5Very high98.4Very high45 Ų4551.5 Ų51.521%0.2124%0.237CC..  trans-62.8157.6162-72-69.5172.500111.2K64 V73 D75 N76 P112E62-K64 PolarHBondContact O-N 2.8Å; E62-K64 VanDerWaalsContact O-N 3.12Å; E62-V73 HydrophobicContact CB-CG2 3.94Å; E62-V73 HydrophobicContact CG-CG2 3.77Å; E62-V73 PolarHBondContact N-O 2.89Å; E62-D75 WeakPolarHBondContact OE1-CA 3.39Å; E62-N76 VanDerWaalsContact OE1-CG 3.31Å; E62-N76 PolarHBondContact OE1-N 2.85Å; E62-N76 PolarHBondContact OE1-ND2 3.41Å; E62-P112 VanDerWaalsContact O-CD 3.29Å; E62-P112 WeakPolarHBondContact O-CD 3.3Å
63W97.9Very high98.3Very high154 Ų15449.2 Ų49.258%0.58323%0.234SC*.SBendtrans-62.5-18.8176.2-70.9100.9000114.3Y111W63-Y111 HydrophobicContact CD2-CD1 4.5Å; W63-Y111 HydrophobicContact CD2-CE1 4.09Å; W63-Y111 HydrophobicContact CE3-CD1 4.33Å; W63-Y111 HydrophobicContact CE3-CE1 4.22Å; W63-Y111 HydrophobicContact CH2-CE1 4.47Å; W63-Y111 HydrophobicContact CH2-CE2 4.13Å; W63-Y111 AromaticContact CH2-CZ 3.94Å; W63-Y111 HydrophobicContact CZ2-CE1 4.35Å; W63-Y111 AromaticContact CZ2-CZ 3.96Å; W63-Y111 HydrophobicContact CZ3-CE1 4.4Å; W63-Y111 HydrophobicContact CZ3-CE2 4.23Å
64K97.9Very high98.3Very high168 Ų16848.6 Ų48.673%0.7323%0.234SC*.SBendtrans-134.4146.2-178.9-63.5-178.9-177.3176.60109.6E62E62-K64 PolarHBondContact O-N 2.8Å; E62-K64 VanDerWaalsContact O-N 3.12Å
65R98.3Very high98.3Very high31 Ų3149.5 Ų49.512%0.11724%0.239CC..  trans-60.8156166.3-72.7166.7176.3-84-1.2110.1S67 N70 E71 I72 P112 G113 Y117 D121R65-S67 PolarHBondContact O-N 2.81Å; R65-N70 VanDerWaalsContact CD-O 3.26Å; R65-N70 WeakPolarHBondContact CD-O 3.47Å; R65-N70 WeakPolarHBondContact CG-O 3.3Å; R65-N70 PolarHBondContact NH1-O 2.59Å; R65-E71 CarbonylContact C-O 3.57Å; R65-E71 WeakPolarHBondContact CA-O 3.48Å; R65-E71 WeakPolarHBondContact CB-O 3.44Å; R65-I72 HydrophobicContact CG-CG1 4.23Å; R65-I72 VanDerWaalsContact CZ-CG1 3.42Å; R65-P112 HydrophobicContact CG-CB 3.82Å; R65-P112 HydrophobicContact CG-CG 4.23Å; R65-G113 PolarHBondContact NH2-O 3.13Å; R65-Y117 VanDerWaalsContact CZ-CD2 3.43Å; R65-D121 IonicContact CZ-OD1 2.64Å; R65-D121 IonicContact CZ-OD2 2.76Å; R65-D121 IonicContact NH1-OD1 3.52Å; R65-D121 PolarHBondContact NH1-OD1 3.34Å; R65-D121 IonicContact NH1-OD2 3.92Å; R65-D121 IonicContact NH2-OD1 3.82Å; R65-D121 PolarHBondContact NH2-OD1 3.36Å; R65-D121 IonicContact NH2-OD2 2.79Å; R65-D121 PolarHBondContact NH2-OD2 3.18Å
66D98.1Very high98.3Very high51 Ų5154.5 Ų54.527%0.27327%0.266SS..  trans-58.2127.6171.5174.3-88.2000110.2R68 T69 N70 E71 V73D66-R68 PolarHBondContact O-N 3.44Å; D66-R68 WeakPolarHBondContact OD1-CB 3.33Å; D66-R68 PolarHBondContact OD1-N 3.13Å; D66-T69 WeakPolarHBondContact CB-OG1 3.23Å; D66-T69 VanDerWaalsContact CG-OG1 3.29Å; D66-T69 WeakPolarHBondContact OD1-CB 3.32Å; D66-T69 PolarHBondContact OD1-N 2.86Å; D66-T69 PolarHBondContact OD1-OG1 3.08Å; D66-N70 VanDerWaalsContact O-CA 3.24Å; D66-N70 WeakPolarHBondContact O-CA 3.37Å; D66-N70 PolarHBondContact O-N 2.75Å; D66-E71 PolarHBondContact N-O 3.18Å; D66-V73 HydrophobicContact CB-CG1 3.85Å
67S97.2Very high98.2Very high120 Ų12063.3 Ų63.384%0.83930%0.304SS*.THydrogen-bonded Turntrans-70.4-14-170.559.40000114.4R65R65-S67 PolarHBondContact O-N 2.81Å
68R97.5Very high98.2Very high214 Ų21463.9 Ų63.981%0.80831%0.306SS*.THydrogen-bonded Turntrans-98.7-40.5-179.3-179.3178.862.2168-0.9111.7D66D66-R68 PolarHBondContact O-N 3.44Å; D66-R68 WeakPolarHBondContact OD1-CB 3.33Å; D66-R68 PolarHBondContact OD1-N 3.13Å
69T97.6Very high98.2Very high50 Ų5064 Ų6431%0.30731%0.307SS..THydrogen-bonded Turntrans-104-17.8-171.761.90000113.3D66 E71D66-T69 WeakPolarHBondContact CB-OG1 3.23Å; D66-T69 VanDerWaalsContact CG-OG1 3.29Å; D66-T69 WeakPolarHBondContact OD1-CB 3.32Å; D66-T69 PolarHBondContact OD1-N 2.86Å; D66-T69 PolarHBondContact OD1-OG1 3.08Å; T69-E71 PolarHBondContact O-N 2.94Å; T69-E71 PolarHBondContact OG1-N 3.22Å
70N98.2Very high98.2Very high73 Ų7368.1 Ų68.139%0.3933%0.333SS..  trans61.19.7-167.9-56.3-60.8000114.6R65 D66 Y117 L120R65-N70 VanDerWaalsContact CD-O 3.26Å; R65-N70 WeakPolarHBondContact CD-O 3.47Å; R65-N70 WeakPolarHBondContact CG-O 3.3Å; R65-N70 PolarHBondContact NH1-O 2.59Å; D66-N70 VanDerWaalsContact O-CA 3.24Å; D66-N70 WeakPolarHBondContact O-CA 3.37Å; D66-N70 PolarHBondContact O-N 2.75Å; N70-Y117 HydrophobicContact CB-CD1 4.17Å; N70-Y117 HydrophobicContact CB-CE1 3.72Å; N70-L120 HydrophobicContact CB-CD2 3.9Å; N70-L120 WeakPolarHBondContact O-CD2 3.37Å
71E98.3Very high98.1Very high40 Ų4073.1 Ų73.119%0.18736%0.36CS..  trans-66.1144.2175.1-68.8-176.2174.400110.1R65 D66 T69 V73 L120 K127R65-E71 CarbonylContact C-O 3.57Å; R65-E71 WeakPolarHBondContact CA-O 3.48Å; R65-E71 WeakPolarHBondContact CB-O 3.44Å; D66-E71 PolarHBondContact N-O 3.18Å; T69-E71 PolarHBondContact O-N 2.94Å; T69-E71 PolarHBondContact OG1-N 3.22Å; E71-V73 PolarHBondContact O-N 3.4Å; E71-L120 HydrophobicContact CG-CD1 4.05Å; E71-L120 HydrophobicContact CG-CG 4.46Å; E71-K127 IonicContact OE1-NZ 3.45Å; E71-K127 PolarHBondContact OE1-NZ 2.95Å; E71-K127 IonicContact OE2-NZ 2.66Å; E71-K127 PolarHBondContact OE2-NZ 3.43Å
72I98.5Very high98.1Very high5 Ų574.2 Ų74.23%0.02637%0.372CS..  trans-67.8129.2162.7-55.4179.2000107W60 P61 R65 L101 P112 W128W60-I72 HydrophobicContact CH2-CB 4.23Å; W60-I72 HydrophobicContact CH2-CG2 3.54Å; W60-I72 HydrophobicContact CZ2-CB 4.42Å; W60-I72 HydrophobicContact CZ2-CG2 3.63Å; W60-I72 HydrophobicContact CZ3-CG2 4.38Å; P61-I72 HydrophobicContact CB-CG2 3.35Å; P61-I72 HydrophobicContact CG-CG2 4.07Å; R65-I72 HydrophobicContact CG-CG1 4.23Å; R65-I72 VanDerWaalsContact CZ-CG1 3.42Å; I72-L101 HydrophobicContact CD1-CD2 3.68Å; I72-P112 HydrophobicContact CG1-CB 4.49Å; I72-W128 HydrophobicContact CB-CH2 4.33Å; I72-W128 WeakPolarHBondContact O-CZ2 3.49Å
73V98Very high98.1Very high48 Ų4872.3 Ų72.329%0.29136%0.364SS..  trans-116.7145.9179.5-68.10000110.2P61 E62 D66 E71P61-V73 CarbonylContact C-O 3.47Å; P61-V73 WeakPolarHBondContact CA-O 3.46Å; P61-V73 VanDerWaalsContact CB-O 3.28Å; P61-V73 WeakPolarHBondContact CB-O 3.19Å; E62-V73 HydrophobicContact CB-CG2 3.94Å; E62-V73 HydrophobicContact CG-CG2 3.77Å; E62-V73 PolarHBondContact N-O 2.89Å; D66-V73 HydrophobicContact CB-CG1 3.85Å; E71-V73 PolarHBondContact O-N 3.4Å
74A98.6Very high98.1Very high15 Ų1568.5 Ų68.512%0.12435%0.351CS..BIsolated β-bridgetrans-67.5145.817700000110.2W60 N76 F79 I83W60-A74 HydrophobicContact CE3-CB 3.93Å; W60-A74 HydrophobicContact CZ3-CB 3.82Å; A74-N76 PolarHBondContact O-N 2.93Å; A74-F79 HydrophobicContact CB-CB 3.69Å; A74-F79 HydrophobicContact CB-CD2 4.45Å; A74-F79 HydrophobicContact CB-CG 4.2Å; A74-I83 HydrophobicContact CB-CB 4.05Å
75D98.7Very high98.2Very high19 Ų1961.6 Ų61.610%0.10232%0.324CS..  trans-56.7121.8174.1178.1-59.3000110.8W60 E62 K77 R78 F79W60-D75 PolarHBondContact O-N 3.19Å; E62-D75 WeakPolarHBondContact OE1-CA 3.39Å; D75-K77 VanDerWaalsContact C-N 3.25Å; D75-K77 PolarHBondContact O-N 2.88Å; D75-K77 WeakPolarHBondContact OD1-CA 3.34Å; D75-K77 WeakPolarHBondContact OD1-CB 3.39Å; D75-K77 PolarHBondContact OD1-N 2.67Å; D75-R78 HydrophobicContact CB-CB 4.26Å; D75-R78 VanDerWaalsContact CB-CZ 3.5Å; D75-R78 PolarHBondContact O-N 2.68Å; D75-R78 PolarHBondContact OD1-N 2.99Å; D75-R78 IonicContact OD1-NE 3.56Å; D75-R78 IonicContact OD2-CZ 3.57Å; D75-R78 VanDerWaalsContact OD2-CZ 3.29Å; D75-R78 IonicContact OD2-NE 3.67Å; D75-R78 PolarHBondContact OD2-NE 3.07Å; D75-R78 IonicContact OD2-NH2 2.8Å; D75-R78 PolarHBondContact OD2-NH2 3.25Å; D75-F79 HydrophobicContact CB-CD2 4.42Å; D75-F79 CarbonylContact O-C 3.57Å; D75-F79 WeakPolarHBondContact O-CA 3.33Å; D75-F79 WeakPolarHBondContact O-CB 3.45Å; D75-F79 PolarHBondContact O-N 3.13Å
76N97.6Very high98.2Very high105 Ų10560.1 Ų60.156%0.56132%0.319SS*.THydrogen-bonded Turntrans-70.5-19.4-169.866.727.4000113.9E62 A74 P80E62-N76 VanDerWaalsContact OE1-CG 3.31Å; E62-N76 PolarHBondContact OE1-N 2.85Å; E62-N76 PolarHBondContact OE1-ND2 3.41Å; A74-N76 PolarHBondContact O-N 2.93Å; N76-P80 VanDerWaalsContact O-CA 3.32Å; N76-P80 WeakPolarHBondContact O-CA 3.41Å
77K98Very high98.2Very high184 Ų18457.7 Ų57.780%0.831%0.306SS*.THydrogen-bonded Turntrans-85.9-39.1176.9-62.8-174.9-177.9174.20110.6D75D75-K77 VanDerWaalsContact C-N 3.25Å; D75-K77 PolarHBondContact O-N 2.88Å; D75-K77 WeakPolarHBondContact OD1-CA 3.34Å; D75-K77 WeakPolarHBondContact OD1-CB 3.39Å; D75-K77 PolarHBondContact OD1-N 2.67Å
78R98.6Very high98.3Very high13 Ų1356.6 Ų56.65%0.04929%0.287CS..THydrogen-bonded Turntrans-89.5-27.4-174.5-61.2-178.2-68.4116.3-6.4112.9I29 S30 E31 C59 P61 D75 P80I29-R78 WeakPolarHBondContact O-CD 3.47Å; I29-R78 PolarHBondContact O-NH1 3.1Å; S30-R78 CarbonylContact C-O 3.45Å; S30-R78 WeakPolarHBondContact CA-O 3.47Å; S30-R78 WeakPolarHBondContact CB-O 3.33Å; E31-R78 PolarHBondContact N-O 3.06Å; C59-R78 PolarHBondContact O-NH1 3.47Å; C59-R78 PolarHBondContact O-NH2 3.34Å; P61-R78 PolarHBondContact O-NH2 3.29Å; D75-R78 HydrophobicContact CB-CB 4.26Å; D75-R78 VanDerWaalsContact CB-CZ 3.5Å; D75-R78 PolarHBondContact O-N 2.68Å; D75-R78 PolarHBondContact OD1-N 2.99Å; D75-R78 IonicContact OD1-NE 3.56Å; D75-R78 IonicContact OD2-CZ 3.57Å; D75-R78 VanDerWaalsContact OD2-CZ 3.29Å; D75-R78 IonicContact OD2-NE 3.67Å; D75-R78 PolarHBondContact OD2-NE 3.07Å; D75-R78 IonicContact OD2-NH2 2.8Å; D75-R78 PolarHBondContact OD2-NH2 3.25Å; R78-P80 VanDerWaalsContact C-CD 3.48Å
79F98.7Very high98.3Very high2 Ų249.1 Ų49.11%0.00926%0.259CS..SBendtrans-129.563.3177.7-60.2-89.6000110.3I29 E31 I34 V56 W60 A74 D75 N81 G82 I83 V86I29-F79 HydrophobicContact CG2-CE2 4.34Å; I29-F79 HydrophobicContact CG2-CZ 4.07Å; E31-F79 HydrophobicContact CB-CD1 3.88Å; E31-F79 HydrophobicContact CB-CE1 4.48Å; I34-F79 HydrophobicContact CG1-CE1 4.44Å; V56-F79 HydrophobicContact CG1-CZ 4.46Å; W60-F79 HydrophobicContact CB-CE2 4.05Å; W60-F79 HydrophobicContact CB-CZ 4.13Å; W60-F79 WeakPolarHBondContact O-CE2 3.47Å; A74-F79 HydrophobicContact CB-CB 3.69Å; A74-F79 HydrophobicContact CB-CD2 4.45Å; A74-F79 HydrophobicContact CB-CG 4.2Å; D75-F79 HydrophobicContact CB-CD2 4.42Å; D75-F79 CarbonylContact O-C 3.57Å; D75-F79 WeakPolarHBondContact O-CA 3.33Å; D75-F79 WeakPolarHBondContact O-CB 3.45Å; D75-F79 PolarHBondContact O-N 3.13Å; F79-N81 PolarHBondContact O-N 3.02Å; F79-N81 VanDerWaalsContact O-N 3.11Å; F79-G82 WeakPolarHBondContact O-CA 3.46Å; F79-G82 PolarHBondContact O-N 3.37Å; F79-I83 HydrophobicContact CD1-CD1 4.22Å; F79-I83 HydrophobicContact CE1-CD1 4.19Å; F79-V86 HydrophobicContact CD1-CG2 3.92Å; F79-V86 HydrophobicContact CE1-CG2 4.35Å
80P98.1Very high98.4Very high87 Ų8746.7 Ų46.757%0.56525%0.245SC*.THydrogen-bonded Turntrans-61.1-25.1-171.826-36.1000113.9N76 R78N76-P80 VanDerWaalsContact O-CA 3.32Å; N76-P80 WeakPolarHBondContact O-CA 3.41Å; R78-P80 VanDerWaalsContact C-CD 3.48Å
81N98.2Very high98.4Very high108 Ų10845.9 Ų45.958%0.57824%0.238SC*.THydrogen-bonded Turntrans-93.64.3177-58.9-58.3000113E31 F79 S85E31-N81 PolarHBondContact OE1-ND2 3.05Å; E31-N81 WeakPolarHBondContact OE2-CB 3.39Å; E31-N81 PolarHBondContact OE2-N 2.86Å; E31-N81 PolarHBondContact OE2-ND2 3.42Å; F79-N81 PolarHBondContact O-N 3.02Å; F79-N81 VanDerWaalsContact O-N 3.11Å; N81-S85 WeakPolarHBondContact CB-OG 3.37Å; N81-S85 VanDerWaalsContact O-CB 3.31Å; N81-S85 WeakPolarHBondContact O-CB 3.41Å; N81-S85 PolarHBondContact O-OG 2.97Å
82G98Very high98.4Very high26 Ų2648.2 Ų48.227%0.26826%0.259SS..Hα-helixtrans74.9159.1-177.400000113.9F79 K84 S85F79-G82 WeakPolarHBondContact O-CA 3.46Å; F79-G82 PolarHBondContact O-N 3.37Å; G82-K84 VanDerWaalsContact C-N 3.28Å; G82-K84 PolarHBondContact O-N 2.92Å; G82-S85 WeakPolarHBondContact O-CB 3.35Å; G82-S85 PolarHBondContact O-N 3.29Å; G82-S85 VanDerWaalsContact O-N 3.11Å; G82-S85 PolarHBondContact O-OG 3.44Å
83I98.4Very high98.4Very high6 Ų650.7 Ų50.73%0.03127%0.27CS..Hα-helixtrans-64.9-30.3-173-161.966.6000113.4W60 A74 F79 S85 V86 G87 F97 I99 W128W60-I83 HydrophobicContact CE3-CB 4.25Å; W60-I83 HydrophobicContact CE3-CD1 4.12Å; W60-I83 HydrophobicContact CE3-CG1 4.15Å; W60-I83 HydrophobicContact CH2-CG2 4.38Å; W60-I83 HydrophobicContact CZ3-CB 3.96Å; W60-I83 HydrophobicContact CZ3-CG1 4.18Å; W60-I83 HydrophobicContact CZ3-CG2 3.98Å; A74-I83 HydrophobicContact CB-CB 4.05Å; F79-I83 HydrophobicContact CD1-CD1 4.22Å; F79-I83 HydrophobicContact CE1-CD1 4.19Å; I83-S85 VanDerWaalsContact C-N 3.28Å; I83-S85 PolarHBondContact O-N 2.71Å; I83-V86 HydrophobicContact CD1-CB 4.43Å; I83-V86 HydrophobicContact CD1-CG2 4.31Å; I83-V86 VanDerWaalsContact O-CB 3.31Å; I83-V86 WeakPolarHBondContact O-CB 3.45Å; I83-V86 PolarHBondContact O-N 2.81Å; I83-V86 VanDerWaalsContact O-N 3.12Å; I83-G87 PolarHBondContact O-N 3.18Å; I83-F97 HydrophobicContact CD1-CE2 4.42Å; I83-F97 HydrophobicContact CD1-CZ 4.08Å; I83-F97 HydrophobicContact CG1-CE1 4.34Å; I83-F97 HydrophobicContact CG1-CE2 4.4Å; I83-F97 HydrophobicContact CG1-CZ 3.6Å; I83-I99 HydrophobicContact CD1-CD1 4.03Å; I83-I99 HydrophobicContact CG1-CD1 3.97Å; I83-W128 HydrophobicContact CG2-CB 4.29Å; I83-W128 HydrophobicContact CG2-CD2 3.59Å; I83-W128 HydrophobicContact CG2-CE3 4.18Å; I83-W128 HydrophobicContact CG2-CG 3.61Å; I83-W128 HydrophobicContact CG2-CZ2 4.42Å
84K98.4Very high98.5Very high73 Ų7353.1 Ų53.132%0.31728%0.281SS..Hα-helixtrans-60.2-38.7175.1-178.1172.2-179.3146.40111.9G82 V86 G87 Q88 K127 E129G82-K84 VanDerWaalsContact C-N 3.28Å; G82-K84 PolarHBondContact O-N 2.92Å; K84-V86 PolarHBondContact O-N 3.22Å; K84-G87 PolarHBondContact O-N 2.91Å; K84-G87 VanDerWaalsContact O-N 3.16Å; K84-Q88 HydrophobicContact CG-CG 4.42Å; K84-Q88 WeakPolarHBondContact O-CG 3.48Å; K84-Q88 PolarHBondContact O-N 3Å; K84-K127 WeakPolarHBondContact CD-O 3.26Å; K84-K127 PolarHBondContact NZ-O 3.38Å; K84-E129 WeakPolarHBondContact CE-OE1 3.36Å; K84-E129 IonicContact NZ-OE1 3.62Å; K84-E129 PolarHBondContact NZ-OE1 2.64Å
85S98.5Very high98.5Very high23 Ų2352.6 Ų52.616%0.16128%0.276CS..Hα-helixtrans-64.7-31.2178.477.90000112.2N81 G82 I83 Y89N81-S85 WeakPolarHBondContact CB-OG 3.37Å; N81-S85 VanDerWaalsContact O-CB 3.31Å; N81-S85 WeakPolarHBondContact O-CB 3.41Å; N81-S85 PolarHBondContact O-OG 2.97Å; G82-S85 WeakPolarHBondContact O-CB 3.35Å; G82-S85 PolarHBondContact O-N 3.29Å; G82-S85 VanDerWaalsContact O-N 3.11Å; G82-S85 PolarHBondContact O-OG 3.44Å; I83-S85 VanDerWaalsContact C-N 3.28Å; I83-S85 PolarHBondContact O-N 2.71Å; S85-Y89 WeakPolarHBondContact O-CB 3.35Å; S85-Y89 PolarHBondContact O-N 3.22Å
86V98.6Very high98.5Very high1 Ų156.8 Ų56.81%0.00629%0.29CS..Hα-helixtrans-64.9-47.7173.2-177.60000109.6E31 I34 F79 I83 K84 Q88 Y89 L90E31-V86 HydrophobicContact CB-CG2 4.35Å; E31-V86 HydrophobicContact CG-CG2 4.11Å; I34-V86 HydrophobicContact CB-CG1 3.96Å; I34-V86 HydrophobicContact CG1-CG1 4.4Å; I34-V86 HydrophobicContact CG2-CG1 3.47Å; I34-V86 VanDerWaalsContact CG2-CG1 3.47Å; F79-V86 HydrophobicContact CD1-CG2 3.92Å; F79-V86 HydrophobicContact CE1-CG2 4.35Å; I83-V86 HydrophobicContact CD1-CB 4.43Å; I83-V86 HydrophobicContact CD1-CG2 4.31Å; I83-V86 VanDerWaalsContact O-CB 3.31Å; I83-V86 WeakPolarHBondContact O-CB 3.45Å; I83-V86 PolarHBondContact O-N 2.81Å; I83-V86 VanDerWaalsContact O-N 3.12Å; K84-V86 PolarHBondContact O-N 3.22Å; V86-Q88 PolarHBondContact O-N 3.29Å; V86-Y89 WeakPolarHBondContact O-CB 3.25Å; V86-Y89 PolarHBondContact O-N 2.97Å; V86-L90 HydrophobicContact CG1-CD1 4.23Å; V86-L90 WeakPolarHBondContact O-CG 3.36Å; V86-L90 PolarHBondContact O-N 3.41Å
87G98.6Very high98.5Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-56.2-48.9174.900000112.6I83 K84 Y89 L90 H91I83-G87 PolarHBondContact O-N 3.18Å; K84-G87 PolarHBondContact O-N 2.91Å; K84-G87 VanDerWaalsContact O-N 3.16Å; G87-Y89 VanDerWaalsContact C-N 3.33Å; G87-Y89 PolarHBondContact O-N 2.86Å; G87-L90 WeakPolarHBondContact O-CB 3.45Å; G87-L90 PolarHBondContact O-N 3.13Å; G87-L90 VanDerWaalsContact O-N 3.14Å; G87-H91 VanDerWaalsContact O-CG 3.31Å; G87-H91 PolarHBondContact O-N 3.34Å; G87-H91 PolarHBondContact O-ND1 3.08Å
88Q98.7Very high98.6Very high96 Ų9643 Ų4345%0.44923%0.225SC..Hα-helixtrans-61.3-39.2177.5-70176-3200112.8K84 V86 H91 S92K84-Q88 HydrophobicContact CG-CG 4.42Å; K84-Q88 WeakPolarHBondContact O-CG 3.48Å; K84-Q88 PolarHBondContact O-N 3Å; V86-Q88 PolarHBondContact O-N 3.29Å; Q88-H91 PolarHBondContact O-N 3Å; Q88-S92 PolarHBondContact O-N 3.01Å
89Y98.8Very high98.6Very high57 Ų5742.4 Ų42.422%0.22422%0.223CC..Hα-helixtrans-62-46.7174-172.9-98.1000111.2K35 A38 D39 S85 V86 G87 H91 S92 K93K35-Y89 HydrophobicContact CB-CD1 4.22Å; K35-Y89 HydrophobicContact CB-CE1 3.85Å; K35-Y89 HydrophobicContact CD-CD1 4.3Å; K35-Y89 HydrophobicContact CD-CD2 4.34Å; K35-Y89 HydrophobicContact CD-CE1 4.39Å; K35-Y89 HydrophobicContact CD-CE2 4.44Å; K35-Y89 HydrophobicContact CD-CG 4.25Å; K35-Y89 HydrophobicContact CG-CD1 3.63Å; K35-Y89 HydrophobicContact CG-CE1 3.75Å; K35-Y89 HydrophobicContact CG-CG 4.03Å; A38-Y89 HydrophobicContact CB-CD1 4.42Å; A38-Y89 HydrophobicContact CB-CE1 4.17Å; D39-Y89 PolarHBondContact OD1-OH 2.92Å; D39-Y89 PolarHBondContact OD2-OH 3.02Å; S85-Y89 WeakPolarHBondContact O-CB 3.35Å; S85-Y89 PolarHBondContact O-N 3.22Å; V86-Y89 WeakPolarHBondContact O-CB 3.25Å; V86-Y89 PolarHBondContact O-N 2.97Å; G87-Y89 VanDerWaalsContact C-N 3.33Å; G87-Y89 PolarHBondContact O-N 2.86Å; Y89-H91 PolarHBondContact O-N 3.49Å; Y89-S92 WeakPolarHBondContact O-CB 3.42Å; Y89-S92 PolarHBondContact O-N 2.87Å; Y89-S92 PolarHBondContact O-OG 2.92Å; Y89-K93 HydrophobicContact CE1-CG 4.27Å; Y89-K93 WeakPolarHBondContact O-CG 3.42Å; Y89-K93 PolarHBondContact O-N 3.37Å; Y89-K93 WeakPolarHBondContact OH-CE 3.44Å; Y89-K93 PolarHBondContact OH-NZ 3.25Å
90L98.9Very high98.6Very high0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-60.2-44.1177.2-67.4170.7000111.7I34 A38 V54 V86 G87 S92 K93 N94 L95 F97I34-L90 HydrophobicContact CG2-CD1 4.28Å; I34-L90 HydrophobicContact CG2-CD2 4.32Å; A38-L90 HydrophobicContact CB-CD2 3.52Å; V54-L90 HydrophobicContact CB-CD1 3.95Å; V54-L90 HydrophobicContact CB-CD2 3.8Å; V54-L90 HydrophobicContact CG1-CD1 4.26Å; V54-L90 HydrophobicContact CG1-CD2 4.03Å; V54-L90 HydrophobicContact CG2-CD2 3.77Å; V86-L90 HydrophobicContact CG1-CD1 4.23Å; V86-L90 WeakPolarHBondContact O-CG 3.36Å; V86-L90 PolarHBondContact O-N 3.41Å; G87-L90 WeakPolarHBondContact O-CB 3.45Å; G87-L90 PolarHBondContact O-N 3.13Å; G87-L90 VanDerWaalsContact O-N 3.14Å; L90-S92 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 2.7Å; L90-K93 CarbonylContact O-C 3.6Å; L90-K93 WeakPolarHBondContact O-CA 3.36Å; L90-K93 WeakPolarHBondContact O-CB 3.47Å; L90-K93 PolarHBondContact O-N 2.91Å; L90-N94 PolarHBondContact O-N 3.35Å; L90-L95 HydrophobicContact CB-CB 4.21Å; L90-L95 HydrophobicContact CD2-CB 4.29Å; L90-L95 HydrophobicContact CD2-CD1 4.01Å; L90-L95 WeakPolarHBondContact O-CB 3.14Å; L90-L95 PolarHBondContact O-N 3.1Å; L90-F97 HydrophobicContact CD1-CB 3.84Å; L90-F97 HydrophobicContact CD1-CD2 3.65Å; L90-F97 HydrophobicContact CD1-CG 4.09Å
91H98.8Very high98.6Very high56 Ų5638.4 Ų38.426%0.25920%0.197SC..Hα-helixtrans-63-38.7176.2-62.5151.1000112.5G87 Q88 Y89 K93 N94 L95 E129 D131G87-H91 VanDerWaalsContact O-CG 3.31Å; G87-H91 PolarHBondContact O-N 3.34Å; G87-H91 PolarHBondContact O-ND1 3.08Å; Q88-H91 PolarHBondContact O-N 3Å; Y89-H91 PolarHBondContact O-N 3.49Å; H91-K93 PolarHBondContact O-N 2.88Å; H91-K93 VanDerWaalsContact O-N 3.1Å; H91-N94 PolarHBondContact O-N 2.87Å; H91-L95 PolarHBondContact CD2-O 2.89Å; H91-E129 PolarHBondContact CE1-O 3.35Å; H91-E129 PolarHBondContact NE2-O 3.08Å; H91-D131 IonicContact CD2-OD2 2.87Å; H91-D131 IonicContact CE1-OD2 2.7Å; H91-D131 IonicContact NE2-OD1 2.71Å; H91-D131 IonicContact NE2-OD2 2.99Å; H91-D131 PolarHBondContact NE2-OD2 2.91Å
92S98.7Very high98.7Very high88 Ų8833.3 Ų33.362%0.61517%0.169SC*.Hα-helixtrans-60.4-21.217582.10000113.2Q88 Y89 L90Q88-S92 PolarHBondContact O-N 3.01Å; Y89-S92 WeakPolarHBondContact O-CB 3.42Å; Y89-S92 PolarHBondContact O-N 2.87Å; Y89-S92 PolarHBondContact O-OG 2.92Å; L90-S92 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 2.7Å
93K98.6Very high98.7Very high58 Ų5832.9 Ų32.925%0.25216%0.16SC..THydrogen-bonded Turntrans-96.33.5177.5-62.3-69.2172.61520113.1D39 V42 R47 Y89 L90 H91 L95D39-K93 WeakPolarHBondContact OD1-CE 3.35Å; D39-K93 IonicContact OD1-NZ 2.85Å; D39-K93 PolarHBondContact OD1-NZ 2.6Å; V42-K93 HydrophobicContact CG2-CB 3.88Å; V42-K93 HydrophobicContact CG2-CD 4.38Å; R47-K93 WeakPolarHBondContact CD-O 3.09Å; R47-K93 PolarHBondContact NH1-O 3.38Å; Y89-K93 HydrophobicContact CE1-CG 4.27Å; Y89-K93 WeakPolarHBondContact O-CG 3.42Å; Y89-K93 PolarHBondContact O-N 3.37Å; Y89-K93 WeakPolarHBondContact OH-CE 3.44Å; Y89-K93 PolarHBondContact OH-NZ 3.25Å; L90-K93 CarbonylContact O-C 3.6Å; L90-K93 WeakPolarHBondContact O-CA 3.36Å; L90-K93 WeakPolarHBondContact O-CB 3.47Å; L90-K93 PolarHBondContact O-N 2.91Å; H91-K93 PolarHBondContact O-N 2.88Å; H91-K93 VanDerWaalsContact O-N 3.1Å; K93-L95 HydrophobicContact CB-CD1 4.04Å; K93-L95 HydrophobicContact CB-CG 4.23Å; K93-L95 PolarHBondContact O-N 3.05Å
94N98.5Very high98.7Very high98 Ų9832.6 Ų32.652%0.52416%0.159SC..THydrogen-bonded Turntrans58.332.3-171.4-163.731.5000112.9L90 H91L90-N94 PolarHBondContact O-N 3.35Å; H91-N94 PolarHBondContact O-N 2.87Å
95L98.8Very high98.7Very high4 Ų433 Ų332%0.02117%0.167CC..  trans-98.6169.5168.5-65.1167.4000109.6A38 L41 V42 R47 R52 V54 L90 H91 K93A38-L95 HydrophobicContact CB-CD1 3.74Å; L41-L95 HydrophobicContact CB-CD1 4.33Å; L41-L95 HydrophobicContact CB-CD2 4.33Å; L41-L95 HydrophobicContact CD1-CD1 4.43Å; L41-L95 HydrophobicContact CD1-CD2 4.46Å; V42-L95 HydrophobicContact CG2-CD1 4.26Å; V42-L95 HydrophobicContact CG2-CG 4.49Å; R47-L95 HydrophobicContact CB-CD2 3.99Å; R47-L95 HydrophobicContact CG-CD2 3.84Å; R52-L95 CarbonylContact O-C 3.6Å; V54-L95 HydrophobicContact CG2-CB 4.48Å; V54-L95 HydrophobicContact CG2-CD1 4.1Å; L90-L95 HydrophobicContact CB-CB 4.21Å; L90-L95 HydrophobicContact CD2-CB 4.29Å; L90-L95 HydrophobicContact CD2-CD1 4.01Å; L90-L95 WeakPolarHBondContact O-CB 3.14Å; L90-L95 PolarHBondContact O-N 3.1Å; H91-L95 PolarHBondContact CD2-O 2.89Å; K93-L95 HydrophobicContact CB-CD1 4.04Å; K93-L95 HydrophobicContact CB-CG 4.23Å; K93-L95 PolarHBondContact O-N 3.05Å
96R98.8Very high98.7Very high108 Ų10839.1 Ų39.141%0.40819%0.187SC..EExtended strand (participates in β ladder)trans-114.6134.4179.9-67.6-177.7179.6-86.5-0.7109.9R52 Y53 V54 D131R52-R96 PolarHBondContact O-N 3.01Å; Y53-R96 CarbonylContact C-O 3.6Å; Y53-R96 WeakPolarHBondContact CA-O 3.07Å; Y53-R96 HydrophobicContact CD1-CB 3.6Å; Y53-R96 HydrophobicContact CD1-CG 4.5Å; Y53-R96 HydrophobicContact CE1-CB 3.82Å; Y53-R96 VanDerWaalsContact CE1-CD 3.49Å; Y53-R96 HydrophobicContact CE1-CG 4.31Å; Y53-R96 HydrophobicContact CG-CB 4.21Å; Y53-R96 VanDerWaalsContact CZ-CD 3.49Å; V54-R96 PolarHBondContact N-O 2.93Å; R96-D131 VanDerWaalsContact CA-OD2 3.28Å; R96-D131 WeakPolarHBondContact CA-OD2 3.14Å; R96-D131 HydrophobicContact CB-CB 3.91Å; R96-D131 HydrophobicContact CG-CB 4.37Å
97F98.9Very high98.7Very high0 Ų039.3 Ų39.30%019%0.188CC..EExtended strand (participates in β ladder)trans-89.6123.9-176.5174.2-137.1000111.3V56 I83 L90 I99 W128 A130 D131 Y132V56-F97 HydrophobicContact CG2-CE2 4.04Å; I83-F97 HydrophobicContact CD1-CE2 4.42Å; I83-F97 HydrophobicContact CD1-CZ 4.08Å; I83-F97 HydrophobicContact CG1-CE1 4.34Å; I83-F97 HydrophobicContact CG1-CE2 4.4Å; I83-F97 HydrophobicContact CG1-CZ 3.6Å; L90-F97 HydrophobicContact CD1-CB 3.84Å; L90-F97 HydrophobicContact CD1-CD2 3.65Å; L90-F97 HydrophobicContact CD1-CG 4.09Å; F97-I99 HydrophobicContact CE1-CB 4.43Å; F97-I99 HydrophobicContact CE2-CB 4.3Å; F97-I99 HydrophobicContact CE2-CD1 4.27Å; F97-I99 HydrophobicContact CZ-CB 3.84Å; F97-I99 HydrophobicContact CZ-CD1 3.9Å; F97-I99 HydrophobicContact CZ-CG1 4.1Å; F97-W128 HydrophobicContact CE1-CB 4.21Å; F97-A130 HydrophobicContact CD1-CB 3.86Å; F97-A130 HydrophobicContact CE1-CB 3.99Å; F97-D131 PolarHBondContact N-OD2 2.96Å; F97-D131 WeakPolarHBondContact O-CA 3.21Å; F97-D131 PolarHBondContact O-N 3.36Å; F97-Y132 PolarHBondContact O-N 3.01Å; F97-Y132 VanDerWaalsContact O-N 3.14Å
98G98.9Very high98.7Very high0 Ų041.6 Ų41.60%020%0.203CC..EExtended strand (participates in β ladder)trans-112.8143171.100000112.2V54 I55 V56 Y132V54-G98 PolarHBondContact O-N 3.06Å; I55-G98 WeakPolarHBondContact CA-O 3.33Å; V56-G98 PolarHBondContact N-O 3.19Å; G98-Y132 VanDerWaalsContact CA-O 3.29Å; G98-Y132 WeakPolarHBondContact CA-O 3.5Å
99I98.9Very high98.7Very high0 Ų041.1 Ų41.10%020%0.201CC..EExtended strand (participates in β ladder)trans-132.1155.3179.7-162.454.7000111.5V56 W60 I83 F97 V125 W128 A130 Y132 V133 K134V56-I99 HydrophobicContact CB-CD1 3.94Å; V56-I99 HydrophobicContact CG1-CD1 4.37Å; V56-I99 CarbonylContact O-C 3.58Å; W60-I99 HydrophobicContact CD2-CD1 3.88Å; W60-I99 HydrophobicContact CG-CD1 3.97Å; W60-I99 HydrophobicContact CZ2-CD1 4.25Å; W60-I99 HydrophobicContact CZ2-CG1 4.18Å; I83-I99 HydrophobicContact CD1-CD1 4.03Å; I83-I99 HydrophobicContact CG1-CD1 3.97Å; F97-I99 HydrophobicContact CE1-CB 4.43Å; F97-I99 HydrophobicContact CE2-CB 4.3Å; F97-I99 HydrophobicContact CE2-CD1 4.27Å; F97-I99 HydrophobicContact CZ-CB 3.84Å; F97-I99 HydrophobicContact CZ-CD1 3.9Å; F97-I99 HydrophobicContact CZ-CG1 4.1Å; I99-V125 HydrophobicContact CG2-CG1 4.37Å; I99-V125 HydrophobicContact CG2-CG2 4.17Å; I99-W128 HydrophobicContact CG1-CE3 4.35Å; I99-W128 HydrophobicContact CG1-CZ3 4.23Å; I99-W128 HydrophobicContact CG2-CE3 4.46Å; I99-A130 HydrophobicContact CG2-CB 4Å; I99-Y132 PolarHBondContact N-O 2.99Å; I99-V133 HydrophobicContact CG2-CB 4.45Å; I99-V133 HydrophobicContact CG2-CG2 4.21Å; I99-V133 CarbonylContact O-C 2.95Å; I99-V133 VanDerWaalsContact O-CA 3.25Å; I99-V133 WeakPolarHBondContact O-CA 3.18Å; I99-K134 PolarHBondContact O-N 3.05Å
100Y98.9Very high98.6Very high2 Ų239.6 Ų39.61%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-105.1141.1177.9169.2-84.6000112.3V56 D57 D58 W60 D102 T107 K134 D136V56-Y100 VanDerWaalsContact O-CB 3.31Å; V56-Y100 WeakPolarHBondContact O-CB 3.33Å; V56-Y100 PolarHBondContact O-N 3.14Å; D57-Y100 VanDerWaalsContact C-CB 3.49Å; D57-Y100 WeakPolarHBondContact OD1-CD2 3.28Å; D58-Y100 HydrophobicContact CB-CD1 3.95Å; D58-Y100 HydrophobicContact CB-CE1 3.56Å; D58-Y100 HydrophobicContact CB-CE2 4.37Å; D58-Y100 HydrophobicContact CB-CG 4.49Å; D58-Y100 WeakPolarHBondContact OD1-CE1 3.16Å; D58-Y100 PolarHBondContact OD2-OH 2.97Å; D58-Y100 VanDerWaalsContact OD2-OH 3.09Å; W60-Y100 PolarHBondContact NE1-O 3.37Å; Y100-D102 HydrophobicContact CE1-CB 4.48Å; Y100-T107 HydrophobicContact CE1-CG2 3.73Å; Y100-K134 WeakPolarHBondContact CA-O 3.13Å; Y100-K134 HydrophobicContact CD2-CB 4.41Å; Y100-K134 HydrophobicContact CD2-CD 3.88Å; Y100-K134 HydrophobicContact CD2-CG 4.05Å; Y100-K134 HydrophobicContact CE2-CD 4.37Å; Y100-D136 HydrophobicContact CE2-CB 3.56Å; Y100-D136 WeakPolarHBondContact CE2-OD2 3.36Å; Y100-D136 WeakPolarHBondContact OH-CB 3.35Å; Y100-D136 PolarHBondContact OH-OD2 3.41Å
101L98.8Very high98.6Very high3 Ų339.7 Ų39.72%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-137.6171.7169.5-64.2-178.6000109.1I72 D121 V125 V133 K134 M135 D136 F152I72-L101 HydrophobicContact CD1-CD2 3.68Å; L101-D121 HydrophobicContact CD1-CB 4.14Å; L101-V125 HydrophobicContact CD1-CG2 3.67Å; L101-V125 HydrophobicContact CG-CG2 4.5Å; L101-V133 HydrophobicContact CB-CG2 4.44Å; L101-V133 HydrophobicContact CD1-CG2 4.04Å; L101-V133 HydrophobicContact CG-CG2 4.12Å; L101-K134 PolarHBondContact N-O 3.21Å; L101-M135 HydrophobicContact CB-CE 3.88Å; L101-M135 HydrophobicContact CB-SD 3.72Å; L101-M135 HydrophobicContact CD1-CE 4.03Å; L101-M135 CarbonylContact O-C 3.46Å; L101-M135 WeakPolarHBondContact O-CA 3.36Å; L101-D136 PolarHBondContact O-N 3.03Å; L101-F152 HydrophobicContact CD1-CE1 4.49Å; L101-F152 HydrophobicContact CD1-CE2 4.35Å; L101-F152 HydrophobicContact CD1-CZ 3.72Å
102D98.8Very high98.6Very high0 Ų037.9 Ų37.90%020%0.196CC..EExtended strand (participates in β ladder)trans-133.9131.3177.2176.8-76.1000110.9Y100 G104 R106 T107 S114 D136 C138Y100-D102 HydrophobicContact CE1-CB 4.48Å; D102-G104 PolarHBondContact O-N 3.2Å; D102-G104 WeakPolarHBondContact OD1-CA 3.42Å; D102-G104 PolarHBondContact OD1-N 3.45Å; D102-R106 VanDerWaalsContact OD1-O 3.11Å; D102-T107 HydrophobicContact CB-CG2 3.91Å; D102-S114 WeakPolarHBondContact O-CA 3.43Å; D102-S114 VanDerWaalsContact O-CB 3.24Å; D102-S114 WeakPolarHBondContact O-CB 3.25Å; D102-S114 PolarHBondContact O-N 2.75Å; D102-S114 PolarHBondContact O-OG 3.28Å; D102-D136 HydrophobicContact CB-CB 4.29Å; D102-C138 VanDerWaalsContact OD1-O 3.07Å; D102-C138 WeakPolarHBondContact OD2-CA 3.19Å; D102-C138 WeakPolarHBondContact OD2-CB 3.4Å; D102-C138 PolarHBondContact OD2-N 3.11Å
103Y98.7Very high98.6Very high18 Ų1833.9 Ų33.97%0.07117%0.168CC..SBendtrans-81.867.6173.3-176.8-104.6000110.4M115 L118 M135 D136 S140 I144 M145 G148 Y149Y103-M115 HydrophobicContact CE2-CB 4.36Å; Y103-M115 HydrophobicContact CE2-CG 4.02Å; Y103-L118 HydrophobicContact CD2-CD2 3.78Å; Y103-L118 HydrophobicContact CE2-CD1 4Å; Y103-L118 HydrophobicContact CE2-CD2 4.01Å; Y103-L118 HydrophobicContact CE2-CG 4.47Å; Y103-M135 PolarHBondContact N-SD 2.74Å; Y103-D136 WeakPolarHBondContact CB-O 3.45Å; Y103-D136 PolarHBondContact N-O 3.33Å; Y103-S140 WeakPolarHBondContact O-CB 3.49Å; Y103-S140 PolarHBondContact O-OG 2.99Å; Y103-I144 HydrophobicContact CE1-CD1 4.32Å; Y103-I144 HydrophobicContact CE1-CG1 4.16Å; Y103-M145 HydrophobicContact CD1-CB 4.27Å; Y103-M145 HydrophobicContact CD1-CG 4.11Å; Y103-M145 HydrophobicContact CE1-CB 4.44Å; Y103-M145 HydrophobicContact CE1-CG 4.37Å; Y103-G148 VanDerWaalsContact CE2-CA 3.46Å; Y103-G148 WeakPolarHBondContact OH-CA 3.23Å; Y103-Y149 VanDerWaalsContact CB-CE2 3.44Å; Y103-Y149 AromaticContact CD1-CD2 3.94Å; Y103-Y149 HydrophobicContact CD1-CD2 3.94Å; Y103-Y149 AromaticContact CD1-CE2 3.79Å; Y103-Y149 HydrophobicContact CD1-CE2 3.79Å; Y103-Y149 AromaticContact CG-CD2 3.93Å; Y103-Y149 HydrophobicContact CG-CD2 3.93Å; Y103-Y149 AromaticContact CG-CE2 3.78Å; Y103-Y149 HydrophobicContact CG-CE2 3.78Å
104G98.4Very high98.6Very high0 Ų031.1 Ų31.10%016%0.156CC..SBendtrans-161.5-174.9-179.600000112.1D102 R106 G113 S114 M115 C138D102-G104 PolarHBondContact O-N 3.2Å; D102-G104 WeakPolarHBondContact OD1-CA 3.42Å; D102-G104 PolarHBondContact OD1-N 3.45Å; G104-R106 VanDerWaalsContact C-N 3.31Å; G104-G113 CarbonylContact O-C 3.26Å; G104-G113 VanDerWaalsContact O-C 3.26Å; G104-G113 WeakPolarHBondContact O-CA 3.45Å; G104-S114 PolarHBondContact O-N 3.1Å; G104-M115 VanDerWaalsContact O-CB 3.27Å; G104-M115 WeakPolarHBondContact O-CB 3.1Å; G104-M115 PolarHBondContact O-N 2.87Å; G104-M115 VanDerWaalsContact O-N 3.09Å; G104-C138 WeakPolarHBondContact CA-O 3.43Å
105T97.8Very high98.5Very high81 Ų8128.3 Ų28.350%0.49714%0.141SC..SBendtrans-73.3-28175.254.50000112.2G113 M115 N139T105-G113 PolarHBondContact O-N 3.46Å; T105-M115 HydrophobicContact CG2-CE 3.48Å; T105-M115 VanDerWaalsContact CG2-CE 3.48Å; T105-N139 PolarHBondContact N-O 3.12Å; T105-N139 VanDerWaalsContact N-O 3.11Å; T105-N139 WeakPolarHBondContact OG1-CB 3.04Å; T105-N139 PolarHBondContact OG1-O 3.41Å
106R98.4Very high98.4Very high152 Ų15234.1 Ų34.157%0.57417%0.172SC*.BIsolated β-bridgetrans-147.1152.2176.9-70.4-174.8173.6157-0.8109.9D102 G104 Y111 N139D102-R106 VanDerWaalsContact OD1-O 3.11Å; G104-R106 VanDerWaalsContact C-N 3.31Å; R106-Y111 CarbonylContact C-O 3.49Å; R106-Y111 WeakPolarHBondContact CA-O 3.41Å; R106-Y111 WeakPolarHBondContact CB-O 3.36Å; R106-N139 HydrophobicContact CB-CB 4.5Å; R106-N139 PolarHBondContact O-ND2 2.63Å
107T98.7Very high98.4Very high4 Ų433 Ų333%0.02517%0.168CC..  trans-61.3166.7166.7780000110.9D58 Y100 D102 E109 G110 Y111 N139D58-T107 VanDerWaalsContact CG-OG1 3.32Å; D58-T107 WeakPolarHBondContact OD1-CB 3.21Å; D58-T107 PolarHBondContact OD1-OG1 2.99Å; D58-T107 WeakPolarHBondContact OD2-CB 3.46Å; D58-T107 PolarHBondContact OD2-OG1 3.14Å; Y100-T107 HydrophobicContact CE1-CG2 3.73Å; D102-T107 HydrophobicContact CB-CG2 3.91Å; T107-E109 PolarHBondContact O-N 2.58Å; T107-E109 PolarHBondContact OG1-N 2.96Å; T107-G110 PolarHBondContact O-N 2.84Å; T107-G110 PolarHBondContact OG1-N 3.13Å; T107-Y111 PolarHBondContact N-O 3.42Å; T107-Y111 WeakPolarHBondContact OG1-CB 3.42Å; T107-Y111 PolarHBondContact OG1-N 3.28Å; T107-N139 PolarHBondContact O-ND2 2.89Å; T107-N139 VanDerWaalsContact O-ND2 3.1Å
108C98.4Very high98.4Very high49 Ų4933.3 Ų33.333%0.33117%0.17SC..THydrogen-bonded Turntrans-55.2-35.2177.1-57.50000112.5D58 G110 C138 Y172D58-C108 PolarHBondContact OD2-N 3.17Å; C108-G110 VanDerWaalsContact C-N 3.33Å; C108-C138 WeakPolarHBondContact CA-SG 3.41Å; C108-C138 HydrophobicContact CB-CB 3.89Å; C108-C138 WeakPolarHBondContact CB-SG 3.47Å; C108-C138 WeakPolarHBondContact SG-CB 3.38Å; C108-C138 CovalentContact SG-SG 2.04Å; C108-C138 PolarHBondContact SG-SG 3.12Å; C108-Y172 PolarHBondContact SG-OH 3.45Å
109E98.5Very high98.4Very high86 Ų8638.4 Ų38.440%0.40219%0.194SC..THydrogen-bonded Turntrans-90.49.1177.9-62.5-66.1156.100113.9W12 C17 D58 C59 T107 Y111W12-E109 HydrophobicContact CH2-CG 3.7Å; W12-E109 HydrophobicContact CZ3-CG 4.28Å; C17-E109 HydrophobicContact CB-CG 3.95Å; D58-E109 PolarHBondContact OD2-N 3.48Å; C59-E109 VanDerWaalsContact SG-CB 3.5Å; C59-E109 VanDerWaalsContact SG-CG 3.55Å; T107-E109 PolarHBondContact O-N 2.58Å; T107-E109 PolarHBondContact OG1-N 2.96Å; E109-Y111 HydrophobicContact CB-CD2 3.96Å; E109-Y111 HydrophobicContact CB-CE2 4.01Å
110G98.3Very high98.4Very high24 Ų2440.6 Ų40.625%0.24721%0.205CC..SBendtrans88.58.4171.600000115.9T107 C108T107-G110 PolarHBondContact O-N 2.84Å; T107-G110 PolarHBondContact OG1-N 3.13Å; C108-G110 VanDerWaalsContact C-N 3.33Å
111Y98.7Very high98.4Very high3 Ų340.5 Ų40.51%0.01221%0.205CC..SBendtrans-76.1168.7174.3-67.8-92.3000111.5C59 P61 W63 R106 T107 E109 G113C59-Y111 HydrophobicContact CB-CD2 4.42Å; C59-Y111 HydrophobicContact CB-CE2 3.7Å; C59-Y111 VanDerWaalsContact SG-CE2 3.52Å; P61-Y111 HydrophobicContact CG-CD1 3.77Å; P61-Y111 HydrophobicContact CG-CG 4.02Å; P61-Y111 WeakPolarHBondContact O-CD1 3.25Å; P61-Y111 WeakPolarHBondContact O-CE1 3.3Å; W63-Y111 HydrophobicContact CD2-CD1 4.5Å; W63-Y111 HydrophobicContact CD2-CE1 4.09Å; W63-Y111 HydrophobicContact CE3-CD1 4.33Å; W63-Y111 HydrophobicContact CE3-CE1 4.22Å; W63-Y111 HydrophobicContact CH2-CE1 4.47Å; W63-Y111 HydrophobicContact CH2-CE2 4.13Å; W63-Y111 AromaticContact CH2-CZ 3.94Å; W63-Y111 HydrophobicContact CZ2-CE1 4.35Å; W63-Y111 AromaticContact CZ2-CZ 3.96Å; W63-Y111 HydrophobicContact CZ3-CE1 4.4Å; W63-Y111 HydrophobicContact CZ3-CE2 4.23Å; R106-Y111 CarbonylContact C-O 3.49Å; R106-Y111 WeakPolarHBondContact CA-O 3.41Å; R106-Y111 WeakPolarHBondContact CB-O 3.36Å; T107-Y111 PolarHBondContact N-O 3.42Å; T107-Y111 WeakPolarHBondContact OG1-CB 3.42Å; T107-Y111 PolarHBondContact OG1-N 3.28Å; E109-Y111 HydrophobicContact CB-CD2 3.96Å; E109-Y111 HydrophobicContact CB-CE2 4.01Å; Y111-G113 PolarHBondContact O-N 3.31Å
112P98.7Very high98.4Very high17 Ų1740.4 Ų40.411%0.1120%0.204CC..BIsolated β-bridgetrans-58.3123.7-177.7-26.235.6000113.8E62 R65 I72E62-P112 VanDerWaalsContact O-CD 3.29Å; E62-P112 WeakPolarHBondContact O-CD 3.3Å; R65-P112 HydrophobicContact CG-CB 3.82Å; R65-P112 HydrophobicContact CG-CG 4.23Å; I72-P112 HydrophobicContact CG1-CB 4.49Å
113G98.6Very high98.4Very high4 Ų445.9 Ų45.94%0.04123%0.228CC..PPolyproline II helixtrans-89.9166.9175.200000113.2R65 G104 T105 Y111R65-G113 PolarHBondContact NH2-O 3.13Å; G104-G113 CarbonylContact O-C 3.26Å; G104-G113 VanDerWaalsContact O-C 3.26Å; G104-G113 WeakPolarHBondContact O-CA 3.45Å; T105-G113 PolarHBondContact O-N 3.46Å; Y111-G113 PolarHBondContact O-N 3.31Å
114S98.7Very high98.4Very high0 Ų045 Ų450%023%0.225CC..SBendtrans-103.4-6-166.9-52.60000114.9D102 G104 N116 Y117 L118 D121D102-S114 WeakPolarHBondContact O-CA 3.43Å; D102-S114 VanDerWaalsContact O-CB 3.24Å; D102-S114 WeakPolarHBondContact O-CB 3.25Å; D102-S114 PolarHBondContact O-N 2.75Å; D102-S114 PolarHBondContact O-OG 3.28Å; G104-S114 PolarHBondContact O-N 3.1Å; S114-N116 PolarHBondContact O-N 3.07Å; S114-Y117 CarbonylContact O-C 3.47Å; S114-Y117 PolarHBondContact O-N 3.39Å; S114-L118 VanDerWaalsContact O-CD2 3.25Å; S114-L118 WeakPolarHBondContact O-CD2 3.36Å; S114-L118 PolarHBondContact O-N 3.19Å; S114-D121 VanDerWaalsContact CA-OD2 3.3Å; S114-D121 WeakPolarHBondContact CA-OD2 3.37Å; S114-D121 WeakPolarHBondContact CB-OD2 3.34Å; S114-D121 PolarHBondContact OG-OD2 3.32Å; S114-D121 VanDerWaalsContact OG-OD2 3.06Å
115M96.6Very high98.4Very high40 Ų4045 Ų4520%0.19723%0.225CC..THydrogen-bonded Turntrans-53.7-37.6-170.3-176.2175.96800113.9Y103 G104 T105 I144Y103-M115 HydrophobicContact CE2-CB 4.36Å; Y103-M115 HydrophobicContact CE2-CG 4.02Å; G104-M115 VanDerWaalsContact O-CB 3.27Å; G104-M115 WeakPolarHBondContact O-CB 3.1Å; G104-M115 PolarHBondContact O-N 2.87Å; G104-M115 VanDerWaalsContact O-N 3.09Å; T105-M115 HydrophobicContact CG2-CE 3.48Å; T105-M115 VanDerWaalsContact CG2-CE 3.48Å; M115-I144 HydrophobicContact SD-CD1 3.94Å
116N96.8Very high98.4Very high126 Ų12642.2 Ų42.267%0.67421%0.21SC*.THydrogen-bonded Turntrans-95.6-0.2179.3-64.6-30.4000114S114S114-N116 PolarHBondContact O-N 3.07Å
117Y98.5Very high98.4Very high83 Ų8339.9 Ų39.933%0.32520%0.204SC..THydrogen-bonded Turntrans-130.215.5-170.7-61.7-81.1000113R65 N70 S114 E119 L120 D121R65-Y117 VanDerWaalsContact CZ-CD2 3.43Å; N70-Y117 HydrophobicContact CB-CD1 4.17Å; N70-Y117 HydrophobicContact CB-CE1 3.72Å; S114-Y117 CarbonylContact O-C 3.47Å; S114-Y117 PolarHBondContact O-N 3.39Å; Y117-E119 VanDerWaalsContact C-N 3.3Å; Y117-E119 PolarHBondContact O-N 3.17Å; Y117-E119 VanDerWaalsContact O-N 3.09Å; Y117-L120 HydrophobicContact CD1-CD2 4.18Å; Y117-L120 WeakPolarHBondContact O-CA 3.31Å; Y117-L120 WeakPolarHBondContact O-CB 3.37Å; Y117-L120 PolarHBondContact O-N 3Å; Y117-D121 WeakPolarHBondContact CB-OD2 3.27Å; Y117-D121 PolarHBondContact O-N 3.22Å
118L98.6Very high98.4Very high8 Ų840.4 Ų40.44%0.04221%0.205CC..Hα-helixtrans-48.6-44.2-172.1-60.5177.5000114.9Y103 S114 A122 K151 F152 L155Y103-L118 HydrophobicContact CD2-CD2 3.78Å; Y103-L118 HydrophobicContact CE2-CD1 4Å; Y103-L118 HydrophobicContact CE2-CD2 4.01Å; Y103-L118 HydrophobicContact CE2-CG 4.47Å; S114-L118 VanDerWaalsContact O-CD2 3.25Å; S114-L118 WeakPolarHBondContact O-CD2 3.36Å; S114-L118 PolarHBondContact O-N 3.19Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.36Å; L118-A122 PolarHBondContact O-N 2.94Å; L118-K151 HydrophobicContact CD1-CB 4.4Å; L118-K151 HydrophobicContact CD1-CD 3.89Å; L118-K151 HydrophobicContact CD1-CG 4.14Å; L118-F152 HydrophobicContact CB-CD2 4.15Å; L118-F152 HydrophobicContact CD2-CB 4.43Å; L118-F152 HydrophobicContact CD2-CD2 3.97Å; L118-L155 HydrophobicContact CB-CD1 3.69Å
119E98.7Very high98.4Very high106 Ų10640.6 Ų40.650%0.49520%0.201SC..Hα-helixtrans-69-41.7-179.8179.2176.9174.300111.7Y117 K123 L155Y117-E119 VanDerWaalsContact C-N 3.3Å; Y117-E119 PolarHBondContact O-N 3.17Å; Y117-E119 VanDerWaalsContact O-N 3.09Å; E119-K123 HydrophobicContact CG-CD 4.45Å; E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 2.91Å; E119-K123 VanDerWaalsContact O-N 3.15Å; E119-K123 WeakPolarHBondContact OE1-CE 3.48Å; E119-K123 IonicContact OE1-NZ 3.8Å; E119-K123 PolarHBondContact OE1-NZ 2.9Å; E119-L155 HydrophobicContact CB-CD1 4.2Å; E119-L155 HydrophobicContact CB-CD2 3.95Å; E119-L155 HydrophobicContact CG-CD2 3.98Å
120L98.7Very high98.5Very high46 Ų4636.5 Ų36.524%0.24118%0.182CC..Hα-helixtrans-64.3-44.7176.4177.862.2000110.8N70 E71 Y117 K123 S124N70-L120 HydrophobicContact CB-CD2 3.9Å; N70-L120 WeakPolarHBondContact O-CD2 3.37Å; E71-L120 HydrophobicContact CG-CD1 4.05Å; E71-L120 HydrophobicContact CG-CG 4.46Å; Y117-L120 HydrophobicContact CD1-CD2 4.18Å; Y117-L120 WeakPolarHBondContact O-CA 3.31Å; Y117-L120 WeakPolarHBondContact O-CB 3.37Å; Y117-L120 PolarHBondContact O-N 3Å; L120-K123 PolarHBondContact O-N 3.4Å; L120-S124 WeakPolarHBondContact O-CB 3.4Å; L120-S124 PolarHBondContact O-N 2.99Å; L120-S124 PolarHBondContact O-OG 2.89Å
121D98.8Very high98.5Very high0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-72.4-35.6-176.8-63.8-20.1000111.1R65 L101 S114 Y117 K123 S124 V125 F152R65-D121 IonicContact CZ-OD1 2.64Å; R65-D121 IonicContact CZ-OD2 2.76Å; R65-D121 IonicContact NH1-OD1 3.52Å; R65-D121 PolarHBondContact NH1-OD1 3.34Å; R65-D121 IonicContact NH1-OD2 3.92Å; R65-D121 IonicContact NH2-OD1 3.82Å; R65-D121 PolarHBondContact NH2-OD1 3.36Å; R65-D121 IonicContact NH2-OD2 2.79Å; R65-D121 PolarHBondContact NH2-OD2 3.18Å; L101-D121 HydrophobicContact CD1-CB 4.14Å; S114-D121 VanDerWaalsContact CA-OD2 3.3Å; S114-D121 WeakPolarHBondContact CA-OD2 3.37Å; S114-D121 WeakPolarHBondContact CB-OD2 3.34Å; S114-D121 PolarHBondContact OG-OD2 3.32Å; S114-D121 VanDerWaalsContact OG-OD2 3.06Å; Y117-D121 WeakPolarHBondContact CB-OD2 3.27Å; Y117-D121 PolarHBondContact O-N 3.22Å; D121-K123 PolarHBondContact O-N 2.95Å; D121-S124 WeakPolarHBondContact O-CB 3.41Å; D121-S124 PolarHBondContact O-N 3.34Å; D121-S124 VanDerWaalsContact O-N 3.14Å; D121-V125 VanDerWaalsContact O-CG2 3.3Å; D121-V125 WeakPolarHBondContact O-CG2 3.48Å; D121-V125 PolarHBondContact O-N 2.8Å; D121-F152 HydrophobicContact CB-CE2 4.49Å
122A98.8Very high98.5Very high1 Ų135.9 Ų35.91%0.00817%0.173CC..Hα-helixtrans-60.6-45.5171.500000111.5L118 S124 V125 A126 F152 L155 L156L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.36Å; L118-A122 PolarHBondContact O-N 2.94Å; A122-S124 VanDerWaalsContact C-N 3.29Å; A122-S124 PolarHBondContact O-N 3.04Å; A122-V125 PolarHBondContact O-N 2.96Å; A122-A126 PolarHBondContact O-N 3.38Å; A122-F152 HydrophobicContact CB-CD2 4.27Å; A122-F152 HydrophobicContact CB-CE2 3.77Å; A122-F152 HydrophobicContact CB-CZ 4.36Å; A122-L155 HydrophobicContact CB-CB 3.67Å; A122-L156 HydrophobicContact CB-CD2 4.3Å
123K98.7Very high98.5Very high115 Ų11535 Ų3550%0.517%0.168SC..Hα-helixtrans-62.3-37.3173.6-70.6172.8-172.1170.30111.6E119 L120 D121 A126 K127E119-K123 HydrophobicContact CG-CD 4.45Å; E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 2.91Å; E119-K123 VanDerWaalsContact O-N 3.15Å; E119-K123 WeakPolarHBondContact OE1-CE 3.48Å; E119-K123 IonicContact OE1-NZ 3.8Å; E119-K123 PolarHBondContact OE1-NZ 2.9Å; L120-K123 PolarHBondContact O-N 3.4Å; D121-K123 PolarHBondContact O-N 2.95Å; K123-A126 PolarHBondContact O-N 3.24Å; K123-K127 VanDerWaalsContact O-CB 3.27Å; K123-K127 WeakPolarHBondContact O-CB 3.42Å; K123-K127 PolarHBondContact O-N 2.91Å
124S98.7Very high98.5Very high1 Ų135 Ų351%0.00717%0.167CC..Hα-helixtrans-66.2-45178.2-59.30000112L120 D121 A122 A126 K127 W128L120-S124 WeakPolarHBondContact O-CB 3.4Å; L120-S124 PolarHBondContact O-N 2.99Å; L120-S124 PolarHBondContact O-OG 2.89Å; D121-S124 WeakPolarHBondContact O-CB 3.41Å; D121-S124 PolarHBondContact O-N 3.34Å; D121-S124 VanDerWaalsContact O-N 3.14Å; A122-S124 VanDerWaalsContact C-N 3.29Å; A122-S124 PolarHBondContact O-N 3.04Å; S124-A126 VanDerWaalsContact C-N 3.3Å; S124-A126 PolarHBondContact O-N 3.35Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 3.3Å; S124-K127 VanDerWaalsContact O-N 3.1Å; S124-W128 PolarHBondContact O-N 2.88Å
125V98.8Very high98.5Very high0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-56.5-44.4175172.20000111I99 L101 D121 A122 W128 E129 A130 V133 L156 I163I99-V125 HydrophobicContact CG2-CG1 4.37Å; I99-V125 HydrophobicContact CG2-CG2 4.17Å; L101-V125 HydrophobicContact CD1-CG2 3.67Å; L101-V125 HydrophobicContact CG-CG2 4.5Å; D121-V125 VanDerWaalsContact O-CG2 3.3Å; D121-V125 WeakPolarHBondContact O-CG2 3.48Å; D121-V125 PolarHBondContact O-N 2.8Å; A122-V125 PolarHBondContact O-N 2.96Å; V125-W128 HydrophobicContact CG2-CE3 4.43Å; V125-W128 HydrophobicContact CG2-CZ3 4.22Å; V125-E129 PolarHBondContact O-N 2.8Å; V125-A130 HydrophobicContact CG1-CB 3.72Å; V125-A130 PolarHBondContact O-N 3.32Å; V125-A130 VanDerWaalsContact O-N 3.12Å; V125-V133 HydrophobicContact CG1-CB 4.32Å; V125-V133 HydrophobicContact CG2-CG2 4.34Å; V125-L156 HydrophobicContact CB-CD2 4.46Å; V125-L156 HydrophobicContact CG1-CD2 4.24Å; V125-I163 HydrophobicContact CG1-CD1 3.81Å; V125-I163 HydrophobicContact CG1-CG2 4.34Å
126A98.7Very high98.6Very high21 Ų2133.7 Ų33.717%0.17416%0.16CC..Hα-helixtrans-68-40175.100000113A122 K123 S124 W128 E129 T159 R161A122-A126 PolarHBondContact O-N 3.38Å; K123-A126 PolarHBondContact O-N 3.24Å; S124-A126 VanDerWaalsContact C-N 3.3Å; S124-A126 PolarHBondContact O-N 3.35Å; A126-W128 VanDerWaalsContact C-N 3.31Å; A126-W128 PolarHBondContact O-N 2.9Å; A126-E129 WeakPolarHBondContact O-CA 3.09Å; A126-E129 PolarHBondContact O-N 2.94Å; A126-T159 HydrophobicContact CB-CG2 3.77Å; A126-R161 HydrophobicContact CB-CB 4.29Å
127K98.4Very high98.7Very high103 Ų10327.7 Ų27.745%0.44813%0.129SC..Hα-helixtrans-61.2-37.2176.3177.3-172.4178.6-173.10112.3E71 K84 K123 S124 E129E71-K127 IonicContact OE1-NZ 3.45Å; E71-K127 PolarHBondContact OE1-NZ 2.95Å; E71-K127 IonicContact OE2-NZ 2.66Å; E71-K127 PolarHBondContact OE2-NZ 3.43Å; K84-K127 WeakPolarHBondContact CD-O 3.26Å; K84-K127 PolarHBondContact NZ-O 3.38Å; K123-K127 VanDerWaalsContact O-CB 3.27Å; K123-K127 WeakPolarHBondContact O-CB 3.42Å; K123-K127 PolarHBondContact O-N 2.91Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 3.3Å; S124-K127 VanDerWaalsContact O-N 3.1Å; K127-E129 PolarHBondContact O-N 3.44Å
128W98.6Very high98.7Very high16 Ų1625 Ų256%0.06112%0.122CC..THydrogen-bonded Turntrans-76.6-3.6173.8-54.5-30000113.5W60 I72 I83 F97 I99 S124 V125 A126 A130W60-W128 AromaticContact CH2-CH2 3.45Å; W60-W128 HydrophobicContact CH2-CH2 3.45Å; W60-W128 VanDerWaalsContact CH2-CH2 3.45Å; W60-W128 AromaticContact CH2-CZ2 3.88Å; W60-W128 HydrophobicContact CH2-CZ2 3.88Å; W60-W128 AromaticContact CH2-CZ3 3.88Å; W60-W128 HydrophobicContact CH2-CZ3 3.88Å; W60-W128 AromaticContact CZ2-CH2 3.77Å; W60-W128 HydrophobicContact CZ2-CH2 3.77Å; W60-W128 AromaticContact CZ2-CZ3 3.91Å; W60-W128 HydrophobicContact CZ2-CZ3 3.91Å; I72-W128 HydrophobicContact CB-CH2 4.33Å; I72-W128 WeakPolarHBondContact O-CZ2 3.49Å; I83-W128 HydrophobicContact CG2-CB 4.29Å; I83-W128 HydrophobicContact CG2-CD2 3.59Å; I83-W128 HydrophobicContact CG2-CE3 4.18Å; I83-W128 HydrophobicContact CG2-CG 3.61Å; I83-W128 HydrophobicContact CG2-CZ2 4.42Å; F97-W128 HydrophobicContact CE1-CB 4.21Å; I99-W128 HydrophobicContact CG1-CE3 4.35Å; I99-W128 HydrophobicContact CG1-CZ3 4.23Å; I99-W128 HydrophobicContact CG2-CE3 4.46Å; S124-W128 PolarHBondContact O-N 2.88Å; V125-W128 HydrophobicContact CG2-CE3 4.43Å; V125-W128 HydrophobicContact CG2-CZ3 4.22Å; A126-W128 VanDerWaalsContact C-N 3.31Å; A126-W128 PolarHBondContact O-N 2.9Å; W128-A130 VanDerWaalsContact C-N 3.28Å; W128-A130 PolarHBondContact O-N 2.92Å
129E98.5Very high98.6Very high52 Ų5228.9 Ų28.924%0.24314%0.142CC..THydrogen-bonded Turntrans62.732-179.6-58.1166.1-165.800112.8K84 H91 V125 A126 K127 R161K84-E129 WeakPolarHBondContact CE-OE1 3.36Å; K84-E129 IonicContact NZ-OE1 3.62Å; K84-E129 PolarHBondContact NZ-OE1 2.64Å; H91-E129 PolarHBondContact CE1-O 3.35Å; H91-E129 PolarHBondContact NE2-O 3.08Å; V125-E129 PolarHBondContact O-N 2.8Å; A126-E129 WeakPolarHBondContact O-CA 3.09Å; A126-E129 PolarHBondContact O-N 2.94Å; K127-E129 PolarHBondContact O-N 3.44Å; E129-R161 PolarHBondContact O-NE 2.94Å; E129-R161 PolarHBondContact O-NH2 3.23Å
130A98.8Very high98.6Very high0 Ų024.8 Ų24.80%013%0.125CC..  trans-65.3145.9174.700000111.7F97 I99 V125 W128 R161 I163F97-A130 HydrophobicContact CD1-CB 3.86Å; F97-A130 HydrophobicContact CE1-CB 3.99Å; I99-A130 HydrophobicContact CG2-CB 4Å; V125-A130 HydrophobicContact CG1-CB 3.72Å; V125-A130 PolarHBondContact O-N 3.32Å; V125-A130 VanDerWaalsContact O-N 3.12Å; W128-A130 VanDerWaalsContact C-N 3.28Å; W128-A130 PolarHBondContact O-N 2.92Å; A130-R161 WeakPolarHBondContact O-CD 3.45Å; A130-R161 PolarHBondContact O-NE 2.91Å; A130-I163 WeakPolarHBondContact O-CG1 3.4Å
131D98.8Very high98.5Very high14 Ų1425.7 Ų25.78%0.07513%0.134CC..SBendtrans-106.1-12.2176.9-55.2-65.1000112.2Y53 H91 R96 F97 R161 V164Y53-D131 HydrophobicContact CE1-CB 4.39Å; H91-D131 IonicContact CD2-OD2 2.87Å; H91-D131 IonicContact CE1-OD2 2.7Å; H91-D131 IonicContact NE2-OD1 2.71Å; H91-D131 IonicContact NE2-OD2 2.99Å; H91-D131 PolarHBondContact NE2-OD2 2.91Å; R96-D131 VanDerWaalsContact CA-OD2 3.28Å; R96-D131 WeakPolarHBondContact CA-OD2 3.14Å; R96-D131 HydrophobicContact CB-CB 3.91Å; R96-D131 HydrophobicContact CG-CB 4.37Å; F97-D131 PolarHBondContact N-OD2 2.96Å; F97-D131 WeakPolarHBondContact O-CA 3.21Å; F97-D131 PolarHBondContact O-N 3.36Å; D131-R161 IonicContact OD1-CZ 3.91Å; D131-R161 IonicContact OD1-NH2 3.69Å; D131-R161 PolarHBondContact OD1-NH2 2.96Å; D131-V164 PolarHBondContact O-N 3.1Å
132Y98.8Very high98.3Very high0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-146.7141.8-178.6-179.4-70.1000109.4Y53 I55 F97 G98 I99 K134 V164 S166 L193Y53-Y132 HydrophobicContact CD1-CD2 4.15Å; Y53-Y132 HydrophobicContact CD1-CG 4.35Å; Y53-Y132 HydrophobicContact CE1-CD2 4.3Å; I55-Y132 HydrophobicContact CD1-CD1 4.01Å; I55-Y132 HydrophobicContact CD1-CD2 4.28Å; I55-Y132 HydrophobicContact CD1-CE1 3.76Å; I55-Y132 HydrophobicContact CD1-CE2 4.03Å; I55-Y132 HydrophobicContact CD1-CG 4.28Å; I55-Y132 HydrophobicContact CG1-CD1 4.03Å; I55-Y132 HydrophobicContact CG1-CE1 4.22Å; I55-Y132 HydrophobicContact CG1-CG 4.34Å; I55-Y132 HydrophobicContact CG2-CD1 4.24Å; I55-Y132 HydrophobicContact CG2-CE1 4.18Å; F97-Y132 PolarHBondContact O-N 3.01Å; F97-Y132 VanDerWaalsContact O-N 3.14Å; G98-Y132 VanDerWaalsContact CA-O 3.29Å; G98-Y132 WeakPolarHBondContact CA-O 3.5Å; I99-Y132 PolarHBondContact N-O 2.99Å; Y132-K134 HydrophobicContact CE1-CB 4.02Å; Y132-V164 CarbonylContact C-O 3.55Å; Y132-V164 VanDerWaalsContact CA-O 3.3Å; Y132-V164 WeakPolarHBondContact CA-O 3.41Å; Y132-V164 HydrophobicContact CD2-CB 3.69Å; Y132-V164 HydrophobicContact CD2-CG1 3.45Å; Y132-V164 VanDerWaalsContact CD2-CG1 3.45Å; Y132-V164 HydrophobicContact CE2-CB 4.45Å; Y132-V164 HydrophobicContact CE2-CG1 3.73Å; Y132-V164 HydrophobicContact CG-CB 4.24Å; Y132-V164 HydrophobicContact CG-CG1 4.36Å; Y132-S166 VanDerWaalsContact CZ-CB 3.47Å; Y132-S166 WeakPolarHBondContact OH-CB 3.39Å; Y132-S166 PolarHBondContact OH-OG 2.81Å; Y132-L193 HydrophobicContact CE2-CD1 4.29Å; Y132-L193 HydrophobicContact CE2-CD2 4.02Å
133V98.8Very high98.1Very high0 Ų036.8 Ų36.80%019%0.19CC..EExtended strand (participates in β ladder)trans-133.6125.9168.864.40000110.9I99 L101 V125 F152 L156 I163 V164 F165 S166I99-V133 HydrophobicContact CG2-CB 4.45Å; I99-V133 HydrophobicContact CG2-CG2 4.21Å; I99-V133 CarbonylContact O-C 2.95Å; I99-V133 VanDerWaalsContact O-CA 3.25Å; I99-V133 WeakPolarHBondContact O-CA 3.18Å; L101-V133 HydrophobicContact CB-CG2 4.44Å; L101-V133 HydrophobicContact CD1-CG2 4.04Å; L101-V133 HydrophobicContact CG-CG2 4.12Å; V125-V133 HydrophobicContact CG1-CB 4.32Å; V125-V133 HydrophobicContact CG2-CG2 4.34Å; V133-F152 HydrophobicContact CG1-CE1 4.04Å; V133-F152 HydrophobicContact CG2-CE1 4.38Å; V133-L156 HydrophobicContact CG1-CD1 3.69Å; V133-L156 HydrophobicContact CG1-CD2 4.29Å; V133-I163 HydrophobicContact CB-CG2 4.21Å; V133-I163 HydrophobicContact CG1-CG2 3.75Å; V133-V164 PolarHBondContact N-O 3.42Å; V133-F165 HydrophobicContact CG1-CD2 3.75Å; V133-F165 HydrophobicContact CG1-CE2 4.41Å; V133-S166 PolarHBondContact O-N 3.45Å
134K98.9Very high98Very high4 Ų434 Ų342%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-89.7125.9164.1174.3-179.8159.8-159.30107.6M10 D57 I99 Y100 L101 Y132 D136M10-K134 HydrophobicContact CE-CD 4.22Å; D57-K134 VanDerWaalsContact CG-NZ 3.32Å; D57-K134 IonicContact OD1-NZ 2.63Å; D57-K134 PolarHBondContact OD1-NZ 3.45Å; D57-K134 VanDerWaalsContact OD1-NZ 3.09Å; D57-K134 VanDerWaalsContact OD2-CD 3.28Å; D57-K134 WeakPolarHBondContact OD2-CD 3.48Å; D57-K134 IonicContact OD2-NZ 3.79Å; D57-K134 PolarHBondContact OD2-NZ 2.83Å; I99-K134 PolarHBondContact O-N 3.05Å; Y100-K134 WeakPolarHBondContact CA-O 3.13Å; Y100-K134 HydrophobicContact CD2-CB 4.41Å; Y100-K134 HydrophobicContact CD2-CD 3.88Å; Y100-K134 HydrophobicContact CD2-CG 4.05Å; Y100-K134 HydrophobicContact CE2-CD 4.37Å; L101-K134 PolarHBondContact N-O 3.21Å; Y132-K134 HydrophobicContact CE1-CB 4.02Å; K134-D136 IonicContact NZ-OD2 3.53Å
135M98.8Very high98Very high0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-111.5116.3171.1-176.574.968.700109L101 Y103 Y149 F152 F165 S166 S168L101-M135 HydrophobicContact CB-CE 3.88Å; L101-M135 HydrophobicContact CB-SD 3.72Å; L101-M135 HydrophobicContact CD1-CE 4.03Å; L101-M135 CarbonylContact O-C 3.46Å; L101-M135 WeakPolarHBondContact O-CA 3.36Å; Y103-M135 PolarHBondContact N-SD 2.74Å; M135-Y149 HydrophobicContact CB-CD1 4.35Å; M135-Y149 HydrophobicContact CB-CE1 3.79Å; M135-Y149 HydrophobicContact CG-CD1 4.25Å; M135-Y149 HydrophobicContact CG-CE1 3.73Å; M135-Y149 HydrophobicContact CG-CE2 4.4Å; M135-Y149 VanDerWaalsContact O-CE1 3.3Å; M135-Y149 WeakPolarHBondContact O-CE1 3.47Å; M135-Y149 PolarHBondContact O-OH 2.96Å; M135-F152 HydrophobicContact CE-CB 4.5Å; M135-F152 HydrophobicContact CE-CD1 3.3Å; M135-F152 HydrophobicContact CE-CD2 3.79Å; M135-F152 HydrophobicContact CE-CE1 3.17Å; M135-F152 HydrophobicContact CE-CE2 3.7Å; M135-F152 HydrophobicContact CE-CG 3.6Å; M135-F152 HydrophobicContact CE-CZ 3.4Å; M135-F152 VanDerWaalsContact CE-CZ 3.4Å; M135-F165 HydrophobicContact CB-CE2 3.54Å; M135-F165 HydrophobicContact CB-CZ 4.12Å; M135-F165 HydrophobicContact CG-CE2 4.45Å; M135-S166 PolarHBondContact N-O 2.96Å; M135-S168 WeakPolarHBondContact O-CB 3.33Å; M135-S168 PolarHBondContact O-N 2.82Å; M135-S168 PolarHBondContact O-OG 3.15Å
136D98.7Very high97.9Very high11 Ų1135.3 Ų35.36%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-84.5179174.8-125.6-14.7000113.3Y100 L101 D102 Y103 K134 Y149 S168 Y172Y100-D136 HydrophobicContact CE2-CB 3.56Å; Y100-D136 WeakPolarHBondContact CE2-OD2 3.36Å; Y100-D136 WeakPolarHBondContact OH-CB 3.35Å; Y100-D136 PolarHBondContact OH-OD2 3.41Å; L101-D136 PolarHBondContact O-N 3.03Å; D102-D136 HydrophobicContact CB-CB 4.29Å; Y103-D136 WeakPolarHBondContact CB-O 3.45Å; Y103-D136 PolarHBondContact N-O 3.33Å; K134-D136 IonicContact NZ-OD2 3.53Å; D136-Y149 PolarHBondContact O-OH 2.94Å; D136-S168 WeakPolarHBondContact OD1-CB 3.26Å; D136-S168 PolarHBondContact OD1-OG 2.99Å; D136-Y172 VanDerWaalsContact CG-OH 3.24Å; D136-Y172 WeakPolarHBondContact OD1-CE2 3.24Å; D136-Y172 PolarHBondContact OD1-OH 3.24Å
137G98.2Very high97.8Very high1 Ų139.5 Ų39.51%0.0121%0.208CC..  trans-130.916.6-173.100000114.8M145 Y172G137-M145 WeakPolarHBondContact O-CE 3.43Å; G137-Y172 VanDerWaalsContact CA-CE2 3.42Å; G137-Y172 VanDerWaalsContact CA-CZ 3.46Å; G137-Y172 VanDerWaalsContact N-CZ 3.33Å; G137-Y172 PolarHBondContact N-OH 2.85Å; G137-Y172 WeakPolarHBondContact O-CE1 3.22Å
138C98.1Very high97.8Very high26 Ų2634.7 Ų34.718%0.17619%0.188CC..THydrogen-bonded Turntrans-66.4156.8179.4-78.60000111.2D102 G104 C108 S140 Y172D102-C138 VanDerWaalsContact OD1-O 3.07Å; D102-C138 WeakPolarHBondContact OD2-CA 3.19Å; D102-C138 WeakPolarHBondContact OD2-CB 3.4Å; D102-C138 PolarHBondContact OD2-N 3.11Å; G104-C138 WeakPolarHBondContact CA-O 3.43Å; C108-C138 WeakPolarHBondContact CA-SG 3.41Å; C108-C138 HydrophobicContact CB-CB 3.89Å; C108-C138 WeakPolarHBondContact CB-SG 3.47Å; C108-C138 WeakPolarHBondContact SG-CB 3.38Å; C108-C138 CovalentContact SG-SG 2.04Å; C108-C138 PolarHBondContact SG-SG 3.12Å; C138-S140 VanDerWaalsContact C-N 3.25Å; C138-S140 PolarHBondContact O-N 3.22Å; C138-S140 VanDerWaalsContact O-N 3.12Å; C138-Y172 PolarHBondContact N-OH 2.83Å; C138-Y172 PolarHBondContact SG-OH 3.02Å
139N98.1Very high97.8Very high89 Ų8934 Ų3448%0.47619%0.185SC..THydrogen-bonded Turntrans52.839.3174-53.4-76.5000114.7T105 R106 T107T105-N139 PolarHBondContact N-O 3.12Å; T105-N139 VanDerWaalsContact N-O 3.11Å; T105-N139 WeakPolarHBondContact OG1-CB 3.04Å; T105-N139 PolarHBondContact OG1-O 3.41Å; R106-N139 HydrophobicContact CB-CB 4.5Å; R106-N139 PolarHBondContact O-ND2 2.63Å; T107-N139 PolarHBondContact O-ND2 2.89Å; T107-N139 VanDerWaalsContact O-ND2 3.1Å
140S97.8Very high97.8Very high20 Ų2031.9 Ų31.914%0.1418%0.177CC..SBendtrans-144.8140.8-176.4-1700000111.6Y103 C138 E142 M145Y103-S140 WeakPolarHBondContact O-CB 3.49Å; Y103-S140 PolarHBondContact O-OG 2.99Å; C138-S140 VanDerWaalsContact C-N 3.25Å; C138-S140 PolarHBondContact O-N 3.22Å; C138-S140 VanDerWaalsContact O-N 3.12Å; S140-E142 PolarHBondContact O-N 3.13Å; S140-M145 WeakPolarHBondContact O-CE 3.48Å
141P96.5Very high97.8Very high66 Ų6637.8 Ų37.843%0.42920%0.203SC..  trans-66.1127174.9-17.429.9000112.1N143 I144P141-N143 VanDerWaalsContact CB-OD1 3.26Å; P141-N143 WeakPolarHBondContact CB-OD1 3.38Å; P141-N143 PolarHBondContact O-N 2.85Å; P141-N143 VanDerWaalsContact O-N 3.14Å; P141-I144 HydrophobicContact CB-CG1 4.12Å; P141-I144 HydrophobicContact CG-CD1 4.19Å; P141-I144 HydrophobicContact CG-CG1 4.3Å; P141-I144 WeakPolarHBondContact O-CG1 3.24Å; P141-I144 PolarHBondContact O-N 2.84Å; P141-I144 VanDerWaalsContact O-N 3.15Å
142E95.4Very high97.8Very high104 Ų10437.1 Ų37.149%0.48620%0.199SC..G310 helixtrans-52.1-39.4-178.7-69.3175-148.500113.2S140 I144 M145 I173S140-E142 PolarHBondContact O-N 3.13Å; E142-I144 PolarHBondContact O-N 2.82Å; E142-M145 HydrophobicContact CG-CE 4.38Å; E142-M145 PolarHBondContact O-N 2.91Å; E142-I173 HydrophobicContact CB-CG1 4.37Å
143N94.6Very high97.8Very high129 Ų12938.3 Ų38.369%0.6921%0.207SC*.G310 helixtrans-68.2-18.8-174.468.7-53000114.2P141P141-N143 VanDerWaalsContact CB-OD1 3.26Å; P141-N143 WeakPolarHBondContact CB-OD1 3.38Å; P141-N143 PolarHBondContact O-N 2.85Å; P141-N143 VanDerWaalsContact O-N 3.14Å
144I96.3Very high97.8Very high58 Ų5845.5 Ų45.530%0.29724%0.239SC..G310 helixtrans-101.6-12.617967.1163.8000113.2Y103 M115 P141 E142 D147 G148Y103-I144 HydrophobicContact CE1-CD1 4.32Å; Y103-I144 HydrophobicContact CE1-CG1 4.16Å; M115-I144 HydrophobicContact SD-CD1 3.94Å; P141-I144 HydrophobicContact CB-CG1 4.12Å; P141-I144 HydrophobicContact CG-CD1 4.19Å; P141-I144 HydrophobicContact CG-CG1 4.3Å; P141-I144 WeakPolarHBondContact O-CG1 3.24Å; P141-I144 PolarHBondContact O-N 2.84Å; P141-I144 VanDerWaalsContact O-N 3.15Å; E142-I144 PolarHBondContact O-N 2.82Å; I144-D147 PolarHBondContact O-N 3.43Å; I144-G148 PolarHBondContact O-N 3.43Å
145M97.5Very high97.8Very high2 Ų247 Ų471%0.0125%0.246CC..Hα-helixtrans-56.7-47.5-177.1-58.3-177.6-17900113Y103 G137 S140 E142 D147 G148 Y149 Y169 Y172Y103-M145 HydrophobicContact CD1-CB 4.27Å; Y103-M145 HydrophobicContact CD1-CG 4.11Å; Y103-M145 HydrophobicContact CE1-CB 4.44Å; Y103-M145 HydrophobicContact CE1-CG 4.37Å; G137-M145 WeakPolarHBondContact O-CE 3.43Å; S140-M145 WeakPolarHBondContact O-CE 3.48Å; E142-M145 HydrophobicContact CG-CE 4.38Å; E142-M145 PolarHBondContact O-N 2.91Å; M145-D147 VanDerWaalsContact C-N 3.27Å; M145-D147 PolarHBondContact O-N 2.96Å; M145-G148 PolarHBondContact O-N 2.95Å; M145-G148 VanDerWaalsContact O-N 3.09Å; M145-Y149 HydrophobicContact CB-CD2 4.16Å; M145-Y149 HydrophobicContact CB-CE2 4.09Å; M145-Y149 WeakPolarHBondContact O-CD2 3.36Å; M145-Y149 PolarHBondContact O-N 3.47Å; M145-Y169 HydrophobicContact CB-CG 4.32Å; M145-Y172 HydrophobicContact CE-CD1 4.16Å; M145-Y172 HydrophobicContact CE-CG 3.96Å; M145-Y172 HydrophobicContact SD-CD2 4.47Å; M145-Y172 HydrophobicContact SD-CG 4.17Å
146P97.1Very high97.8Very high26 Ų2647.3 Ų47.317%0.16925%0.248CC..Hα-helixtrans-58.8-36.7-177.2-25.635.6000113.8G150 Y169 I173 K186P146-G150 PolarHBondContact O-N 3.42Å; P146-Y169 HydrophobicContact CB-CE2 4.3Å; P146-Y169 HydrophobicContact CG-CD2 4.14Å; P146-Y169 HydrophobicContact CG-CE2 3.9Å; P146-I173 HydrophobicContact CG-CD1 4.3Å; P146-K186 WeakPolarHBondContact O-CE 3.12Å
147D97.5Very high97.8Very high108 Ų10853.1 Ų53.158%0.57828%0.279SS*.Hα-helixtrans-74.8-40.2175.6-76.9-34.7000112.3I144 M145 G150 K151 K186I144-D147 PolarHBondContact O-N 3.43Å; M145-D147 VanDerWaalsContact C-N 3.27Å; M145-D147 PolarHBondContact O-N 2.96Å; D147-G150 PolarHBondContact O-N 3.47Å; D147-K151 WeakPolarHBondContact O-CB 3.45Å; D147-K151 PolarHBondContact O-N 2.9Å; D147-K186 IonicContact OD1-NZ 3.13Å; D147-K186 PolarHBondContact OD1-NZ 2.75Å
148G98.2Very high97.8Very high3 Ų357.1 Ų57.13%0.03131%0.312CS..Hα-helixtrans-58.1-49.9175.300000113.5Y103 I144 M145 K151 F152Y103-G148 VanDerWaalsContact CE2-CA 3.46Å; Y103-G148 WeakPolarHBondContact OH-CA 3.23Å; I144-G148 PolarHBondContact O-N 3.43Å; M145-G148 PolarHBondContact O-N 2.95Å; M145-G148 VanDerWaalsContact O-N 3.09Å; G148-K151 PolarHBondContact O-N 2.76Å; G148-F152 PolarHBondContact O-N 3.44Å
149Y98.6Very high97.8Very high2 Ų257.9 Ų57.91%0.00832%0.316CS..Hα-helixtrans-64.8-41.8176.7-80.5-111.1000111.4Y103 M135 D136 M145 K151 F152 S153 F165 C167 Y169Y103-Y149 VanDerWaalsContact CB-CE2 3.44Å; Y103-Y149 AromaticContact CD1-CD2 3.94Å; Y103-Y149 HydrophobicContact CD1-CD2 3.94Å; Y103-Y149 AromaticContact CD1-CE2 3.79Å; Y103-Y149 HydrophobicContact CD1-CE2 3.79Å; Y103-Y149 AromaticContact CG-CD2 3.93Å; Y103-Y149 HydrophobicContact CG-CD2 3.93Å; Y103-Y149 AromaticContact CG-CE2 3.78Å; Y103-Y149 HydrophobicContact CG-CE2 3.78Å; M135-Y149 HydrophobicContact CB-CD1 4.35Å; M135-Y149 HydrophobicContact CB-CE1 3.79Å; M135-Y149 HydrophobicContact CG-CD1 4.25Å; M135-Y149 HydrophobicContact CG-CE1 3.73Å; M135-Y149 HydrophobicContact CG-CE2 4.4Å; M135-Y149 VanDerWaalsContact O-CE1 3.3Å; M135-Y149 WeakPolarHBondContact O-CE1 3.47Å; M135-Y149 PolarHBondContact O-OH 2.96Å; D136-Y149 PolarHBondContact O-OH 2.94Å; M145-Y149 HydrophobicContact CB-CD2 4.16Å; M145-Y149 HydrophobicContact CB-CE2 4.09Å; M145-Y149 WeakPolarHBondContact O-CD2 3.36Å; M145-Y149 PolarHBondContact O-N 3.47Å; Y149-K151 VanDerWaalsContact C-N 3.33Å; Y149-K151 PolarHBondContact O-N 3.21Å; Y149-F152 PolarHBondContact O-N 3.37Å; Y149-S153 PolarHBondContact O-N 2.82Å; Y149-F165 HydrophobicContact CD1-CE1 4.42Å; Y149-F165 HydrophobicContact CD1-CE2 4.42Å; Y149-F165 AromaticContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CE1-CZ 4.48Å; Y149-F165 HydrophobicContact CG-CZ 4.41Å; Y149-F165 WeakPolarHBondContact O-CE1 3.45Å; Y149-C167 HydrophobicContact CD1-CB 3.7Å; Y149-C167 HydrophobicContact CE1-CB 3.84Å; Y149-Y169 AromaticContact CD1-CD1 3.93Å; Y149-Y169 HydrophobicContact CD1-CD1 3.93Å; Y149-Y169 HydrophobicContact CD2-CD1 4.15Å; Y149-Y169 HydrophobicContact CD2-CG 4.44Å; Y149-Y169 HydrophobicContact CE1-CD1 4.29Å; Y149-Y169 HydrophobicContact CE2-CD1 4.5Å; Y149-Y169 HydrophobicContact CE2-CG 4.5Å; Y149-Y169 AromaticContact CG-CD1 3.8Å; Y149-Y169 HydrophobicContact CG-CD1 3.8Å; Y149-Y169 PolarHBondContact OH-N 3.48Å
150G98.5Very high97.8Very high6 Ų656.8 Ų56.86%0.06233%0.326CS..Hα-helixtrans-61.4-38.9174.200000113.1P146 D147 K154P146-G150 PolarHBondContact O-N 3.42Å; D147-G150 PolarHBondContact O-N 3.47Å; G150-K154 PolarHBondContact O-N 3.18Å
151K98.6Very high97.8Very high125 Ų12559.2 Ų59.254%0.54333%0.332SS..Hα-helixtrans-64.5-46173.1179.5174.8174.4-176.50111.2L118 D147 G148 Y149 S153 K154 L155L118-K151 HydrophobicContact CD1-CB 4.4Å; L118-K151 HydrophobicContact CD1-CD 3.89Å; L118-K151 HydrophobicContact CD1-CG 4.14Å; D147-K151 WeakPolarHBondContact O-CB 3.45Å; D147-K151 PolarHBondContact O-N 2.9Å; G148-K151 PolarHBondContact O-N 2.76Å; Y149-K151 VanDerWaalsContact C-N 3.33Å; Y149-K151 PolarHBondContact O-N 3.21Å; K151-S153 VanDerWaalsContact C-N 3.35Å; K151-S153 PolarHBondContact O-N 3.22Å; K151-K154 PolarHBondContact O-N 3.18Å; K151-L155 HydrophobicContact CG-CD1 3.93Å; K151-L155 VanDerWaalsContact O-CG 3.31Å; K151-L155 WeakPolarHBondContact O-CG 3.14Å; K151-L155 PolarHBondContact O-N 3.46Å
152F98.8Very high97.9Very high0 Ų060.4 Ų60.40%034%0.34CS..Hα-helixtrans-62.2-41.3178.2-167.7-109.5000112.2L101 L118 D121 A122 V133 M135 G148 Y149 K154 L155 L156 F165L101-F152 HydrophobicContact CD1-CE1 4.49Å; L101-F152 HydrophobicContact CD1-CE2 4.35Å; L101-F152 HydrophobicContact CD1-CZ 3.72Å; L118-F152 HydrophobicContact CB-CD2 4.15Å; L118-F152 HydrophobicContact CD2-CB 4.43Å; L118-F152 HydrophobicContact CD2-CD2 3.97Å; D121-F152 HydrophobicContact CB-CE2 4.49Å; A122-F152 HydrophobicContact CB-CD2 4.27Å; A122-F152 HydrophobicContact CB-CE2 3.77Å; A122-F152 HydrophobicContact CB-CZ 4.36Å; V133-F152 HydrophobicContact CG1-CE1 4.04Å; V133-F152 HydrophobicContact CG2-CE1 4.38Å; M135-F152 HydrophobicContact CE-CB 4.5Å; M135-F152 HydrophobicContact CE-CD1 3.3Å; M135-F152 HydrophobicContact CE-CD2 3.79Å; M135-F152 HydrophobicContact CE-CE1 3.17Å; M135-F152 HydrophobicContact CE-CE2 3.7Å; M135-F152 HydrophobicContact CE-CG 3.6Å; M135-F152 HydrophobicContact CE-CZ 3.4Å; M135-F152 VanDerWaalsContact CE-CZ 3.4Å; G148-F152 PolarHBondContact O-N 3.44Å; Y149-F152 PolarHBondContact O-N 3.37Å; F152-K154 PolarHBondContact O-N 3.36Å; F152-L155 CarbonylContact O-C 3.33Å; F152-L155 WeakPolarHBondContact O-CB 3.1Å; F152-L155 PolarHBondContact O-N 2.82Å; F152-L155 VanDerWaalsContact O-N 3.1Å; F152-L156 HydrophobicContact CD1-CD1 3.72Å; F152-L156 HydrophobicContact CD1-CD2 4.5Å; F152-L156 HydrophobicContact CD1-CG 3.91Å; F152-L156 HydrophobicContact CE1-CD1 3.56Å; F152-L156 HydrophobicContact CE1-CD2 3.77Å; F152-L156 HydrophobicContact CE1-CG 3.67Å; F152-L156 HydrophobicContact CZ-CD1 4.44Å; F152-L156 HydrophobicContact CZ-CD2 3.82Å; F152-L156 HydrophobicContact CZ-CG 4.1Å; F152-L156 WeakPolarHBondContact O-CG 3.21Å; F152-L156 PolarHBondContact O-N 3.42Å; F152-F165 HydrophobicContact CB-CZ 4.42Å; F152-F165 HydrophobicContact CD1-CD2 4.46Å; F152-F165 HydrophobicContact CD1-CE1 4.29Å; F152-F165 AromaticContact CD1-CE2 3.77Å; F152-F165 HydrophobicContact CD1-CE2 3.77Å; F152-F165 AromaticContact CD1-CZ 3.67Å; F152-F165 HydrophobicContact CD1-CZ 3.67Å; F152-F165 HydrophobicContact CE1-CE2 4.19Å
153S98.7Very high98.1Very high24 Ų2455.8 Ų55.817%0.16832%0.318CS..Hα-helixtrans-55.2-47.1174.3-176.90000112.4Y149 K151 L155 L156 N157 N190Y149-S153 PolarHBondContact O-N 2.82Å; K151-S153 VanDerWaalsContact C-N 3.35Å; K151-S153 PolarHBondContact O-N 3.22Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 3.49Å; S153-L156 PolarHBondContact O-N 2.81Å; S153-N157 PolarHBondContact O-N 2.49Å; S153-N190 VanDerWaalsContact CB-O 3.29Å; S153-N190 WeakPolarHBondContact CB-O 3.37Å; S153-N190 PolarHBondContact OG-O 2.95Å
154K98.7Very high98.3Very high152 Ų15249.7 Ų49.766%0.66129%0.286SS*.Hα-helixtrans-62.5-40.6175.4-68.5176.4-176.4178.80112.4G150 K151 F152 N157 A158G150-K154 PolarHBondContact O-N 3.18Å; K151-K154 PolarHBondContact O-N 3.18Å; F152-K154 PolarHBondContact O-N 3.36Å; K154-N157 PolarHBondContact O-N 3.05Å; K154-A158 WeakPolarHBondContact O-CB 3.3Å; K154-A158 PolarHBondContact O-N 2.95Å
155L98.8Very high98.4Very high35 Ų3547.1 Ų47.118%0.18327%0.273CS..Hα-helixtrans-66.6-40.9178.3-69.5165.6000111.8L118 E119 A122 K151 F152 S153 A158 T159L118-L155 HydrophobicContact CB-CD1 3.69Å; E119-L155 HydrophobicContact CB-CD1 4.2Å; E119-L155 HydrophobicContact CB-CD2 3.95Å; E119-L155 HydrophobicContact CG-CD2 3.98Å; A122-L155 HydrophobicContact CB-CB 3.67Å; K151-L155 HydrophobicContact CG-CD1 3.93Å; K151-L155 VanDerWaalsContact O-CG 3.31Å; K151-L155 WeakPolarHBondContact O-CG 3.14Å; K151-L155 PolarHBondContact O-N 3.46Å; F152-L155 CarbonylContact O-C 3.33Å; F152-L155 WeakPolarHBondContact O-CB 3.1Å; F152-L155 PolarHBondContact O-N 2.82Å; F152-L155 VanDerWaalsContact O-N 3.1Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 3.49Å; L155-A158 PolarHBondContact O-N 3.25Å; L155-T159 WeakPolarHBondContact O-CG2 3.39Å; L155-T159 PolarHBondContact O-N 2.94Å
156L98.7Very high98.4Very high7 Ų747.1 Ų47.14%0.03727%0.272CS..Hα-helixtrans-58.6-48.8171.9-72175000110.8A122 V125 V133 F152 S153 A158 T159 I163 F165A122-L156 HydrophobicContact CB-CD2 4.3Å; V125-L156 HydrophobicContact CB-CD2 4.46Å; V125-L156 HydrophobicContact CG1-CD2 4.24Å; V133-L156 HydrophobicContact CG1-CD1 3.69Å; V133-L156 HydrophobicContact CG1-CD2 4.29Å; F152-L156 HydrophobicContact CD1-CD1 3.72Å; F152-L156 HydrophobicContact CD1-CD2 4.5Å; F152-L156 HydrophobicContact CD1-CG 3.91Å; F152-L156 HydrophobicContact CE1-CD1 3.56Å; F152-L156 HydrophobicContact CE1-CD2 3.77Å; F152-L156 HydrophobicContact CE1-CG 3.67Å; F152-L156 HydrophobicContact CZ-CD1 4.44Å; F152-L156 HydrophobicContact CZ-CD2 3.82Å; F152-L156 HydrophobicContact CZ-CG 4.1Å; F152-L156 WeakPolarHBondContact O-CG 3.21Å; F152-L156 PolarHBondContact O-N 3.42Å; S153-L156 PolarHBondContact O-N 2.81Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.41Å; L156-T159 WeakPolarHBondContact O-CB 3.33Å; L156-T159 WeakPolarHBondContact O-CG2 3.48Å; L156-T159 PolarHBondContact O-N 3.42Å; L156-T159 VanDerWaalsContact O-N 3.08Å; L156-T159 PolarHBondContact O-OG1 2.69Å; L156-I163 HydrophobicContact CD2-CD1 3.86Å; L156-F165 HydrophobicContact CD1-CB 4.1Å; L156-F165 HydrophobicContact CD1-CD1 4.21Å; L156-F165 HydrophobicContact CD1-CD2 4.08Å; L156-F165 HydrophobicContact CD1-CG 3.88Å
157N98.4Very high98.5Very high132 Ų13245.9 Ų45.971%0.70626%0.264SS*.Hα-helixtrans-60.4-38.9178-17044.9000112.2S153 K154 T159 G160S153-N157 PolarHBondContact O-N 2.49Å; K154-N157 PolarHBondContact O-N 3.05Å; N157-T159 PolarHBondContact O-N 3.48Å; N157-G160 PolarHBondContact O-N 2.76Å
158A98.6Very high98.6Very high85 Ų8540.8 Ų40.870%0.70224%0.237SC*.Hα-helixtrans-65.3-16.3177.600000114K154 L155 L156 G160K154-A158 WeakPolarHBondContact O-CB 3.3Å; K154-A158 PolarHBondContact O-N 2.95Å; L155-A158 PolarHBondContact O-N 3.25Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.41Å; A158-G160 PolarHBondContact O-N 2.88Å
159T98.6Very high98.6Very high42 Ų4240.8 Ų40.826%0.25824%0.236SC..THydrogen-bonded Turntrans-71.8-17.3172.673.70000113.2A126 L155 L156 N157 R161A126-T159 HydrophobicContact CB-CG2 3.77Å; L155-T159 WeakPolarHBondContact O-CG2 3.39Å; L155-T159 PolarHBondContact O-N 2.94Å; L156-T159 WeakPolarHBondContact O-CB 3.33Å; L156-T159 WeakPolarHBondContact O-CG2 3.48Å; L156-T159 PolarHBondContact O-N 3.42Å; L156-T159 VanDerWaalsContact O-N 3.08Å; L156-T159 PolarHBondContact O-OG1 2.69Å; N157-T159 PolarHBondContact O-N 3.48Å; T159-R161 PolarHBondContact O-N 2.66Å; T159-R161 PolarHBondContact OG1-N 3.13Å
160G98.2Very high98.5Very high67 Ų6740.7 Ų40.769%0.69124%0.236SC*.  trans74.9-5.9-17500000114.7N157 A158N157-G160 PolarHBondContact O-N 2.76Å; A158-G160 PolarHBondContact O-N 2.88Å
161R98.1Very high98.5Very high71 Ų7142 Ų4227%0.26825%0.246SC..SBendtrans-88.4127174.7-171.5176.9-179.987.45.8110.3A126 E129 A130 D131 T159 I163A126-R161 HydrophobicContact CB-CB 4.29Å; E129-R161 PolarHBondContact O-NE 2.94Å; E129-R161 PolarHBondContact O-NH2 3.23Å; A130-R161 WeakPolarHBondContact O-CD 3.45Å; A130-R161 PolarHBondContact O-NE 2.91Å; D131-R161 IonicContact OD1-CZ 3.91Å; D131-R161 IonicContact OD1-NH2 3.69Å; D131-R161 PolarHBondContact OD1-NH2 2.96Å; T159-R161 PolarHBondContact O-N 2.66Å; T159-R161 PolarHBondContact OG1-N 3.13Å; R161-I163 HydrophobicContact CB-CD1 4.23Å; R161-I163 HydrophobicContact CB-CG1 4.33Å; R161-I163 HydrophobicContact CG-CD1 4.44Å; R161-I163 HydrophobicContact CG-CG1 4.12Å; R161-I163 PolarHBondContact O-N 3.11Å
162P98.1Very high98.4Very high90 Ų9039.1 Ų39.158%0.58423%0.232SC*.  trans-66.9113.3171.4-1831.4000110.8M1M1-P162 HydrophobicContact CE-CB 4.24Å; M1-P162 HydrophobicContact CG-CB 4.24Å; M1-P162 VanDerWaalsContact SD-CA 3.51Å; M1-P162 HydrophobicContact SD-CB 3.3Å; M1-P162 WeakPolarHBondContact SD-CB 3.39Å
163I98.7Very high98.3Very high7 Ų740 Ų404%0.03624%0.237CC..  trans-126.3124.7-179.5-61.9159.2000109.1M1 V125 A130 V133 L156 R161 F165M1-I163 WeakPolarHBondContact CE-O 3.48Å; M1-I163 PolarHBondContact SD-N 2.84Å; V125-I163 HydrophobicContact CG1-CD1 3.81Å; V125-I163 HydrophobicContact CG1-CG2 4.34Å; A130-I163 WeakPolarHBondContact O-CG1 3.4Å; V133-I163 HydrophobicContact CB-CG2 4.21Å; V133-I163 HydrophobicContact CG1-CG2 3.75Å; L156-I163 HydrophobicContact CD2-CD1 3.86Å; R161-I163 HydrophobicContact CB-CD1 4.23Å; R161-I163 HydrophobicContact CB-CG1 4.33Å; R161-I163 HydrophobicContact CG-CD1 4.44Å; R161-I163 HydrophobicContact CG-CG1 4.12Å; R161-I163 PolarHBondContact O-N 3.11Å; I163-F165 PolarHBondContact O-N 3.48Å
164V98.7Very high98.1Very high2 Ų241.9 Ų41.91%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-67.7123171.7174.30000109.1M1 A2 P6 Y53 D131 Y132 V133 N192 L193M1-V164 HydrophobicContact CB-CG2 4.37Å; A2-V164 HydrophobicContact CB-CG2 4.41Å; P6-V164 HydrophobicContact CG-CG1 4.46Å; Y53-V164 HydrophobicContact CE1-CG2 4.3Å; Y53-V164 WeakPolarHBondContact OH-CG2 3.39Å; D131-V164 PolarHBondContact O-N 3.1Å; Y132-V164 CarbonylContact C-O 3.55Å; Y132-V164 VanDerWaalsContact CA-O 3.3Å; Y132-V164 WeakPolarHBondContact CA-O 3.41Å; Y132-V164 HydrophobicContact CD2-CB 3.69Å; Y132-V164 HydrophobicContact CD2-CG1 3.45Å; Y132-V164 VanDerWaalsContact CD2-CG1 3.45Å; Y132-V164 HydrophobicContact CE2-CB 4.45Å; Y132-V164 HydrophobicContact CE2-CG1 3.73Å; Y132-V164 HydrophobicContact CG-CB 4.24Å; Y132-V164 HydrophobicContact CG-CG1 4.36Å; V133-V164 PolarHBondContact N-O 3.42Å; V164-N192 WeakPolarHBondContact CA-OD1 3.3Å; V164-N192 HydrophobicContact CG1-CB 3.9Å; V164-L193 HydrophobicContact CG1-CD2 3.54Å
165F98.8Very high98Very high4 Ų434.9 Ų34.92%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-105.1112.1-178-173.6-154.7000112V133 M135 Y149 F152 L156 I163 C167 N190 N192 L193V133-F165 HydrophobicContact CG1-CD2 3.75Å; V133-F165 HydrophobicContact CG1-CE2 4.41Å; M135-F165 HydrophobicContact CB-CE2 3.54Å; M135-F165 HydrophobicContact CB-CZ 4.12Å; M135-F165 HydrophobicContact CG-CE2 4.45Å; Y149-F165 HydrophobicContact CD1-CE1 4.42Å; Y149-F165 HydrophobicContact CD1-CE2 4.42Å; Y149-F165 AromaticContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CE1-CZ 4.48Å; Y149-F165 HydrophobicContact CG-CZ 4.41Å; Y149-F165 WeakPolarHBondContact O-CE1 3.45Å; F152-F165 HydrophobicContact CB-CZ 4.42Å; F152-F165 HydrophobicContact CD1-CD2 4.46Å; F152-F165 HydrophobicContact CD1-CE1 4.29Å; F152-F165 AromaticContact CD1-CE2 3.77Å; F152-F165 HydrophobicContact CD1-CE2 3.77Å; F152-F165 AromaticContact CD1-CZ 3.67Å; F152-F165 HydrophobicContact CD1-CZ 3.67Å; F152-F165 HydrophobicContact CE1-CE2 4.19Å; L156-F165 HydrophobicContact CD1-CB 4.1Å; L156-F165 HydrophobicContact CD1-CD1 4.21Å; L156-F165 HydrophobicContact CD1-CD2 4.08Å; L156-F165 HydrophobicContact CD1-CG 3.88Å; I163-F165 PolarHBondContact O-N 3.48Å; F165-C167 WeakPolarHBondContact CE1-SG 3.35Å; F165-C167 VanDerWaalsContact CZ-SG 3.57Å; F165-N190 VanDerWaalsContact CD1-O 3.3Å; F165-N190 WeakPolarHBondContact CD1-O 3.43Å; F165-N192 PolarHBondContact N-OD1 3.08Å; F165-N192 PolarHBondContact O-N 3.1Å; F165-L193 PolarHBondContact O-N 3.49Å
166S98.8Very high97.8Very high1 Ų137.5 Ų37.51%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-98.4124.3174.4178.70000111Y132 V133 M135 L193Y132-S166 VanDerWaalsContact CZ-CB 3.47Å; Y132-S166 WeakPolarHBondContact OH-CB 3.39Å; Y132-S166 PolarHBondContact OH-OG 2.81Å; V133-S166 PolarHBondContact O-N 3.45Å; M135-S166 PolarHBondContact N-O 2.96Å; S166-L193 WeakPolarHBondContact CA-O 3.32Å
167C98.8Very high97.5Very high0 Ų046.3 Ų46.30%027%0.27CS..EExtended strand (participates in β ladder)trans-112.1118.9-170.4-63.40000112Y149 F165 Y169 L187 C191 L193 W194 R195Y149-C167 HydrophobicContact CD1-CB 3.7Å; Y149-C167 HydrophobicContact CE1-CB 3.84Å; F165-C167 WeakPolarHBondContact CE1-SG 3.35Å; F165-C167 VanDerWaalsContact CZ-SG 3.57Å; C167-Y169 HydrophobicContact CB-CD1 4.37Å; C167-L187 HydrophobicContact CB-CD1 4.5Å; C167-C191 HydrophobicContact CB-CB 3.8Å; C167-C191 WeakPolarHBondContact CB-SG 3.48Å; C167-C191 WeakPolarHBondContact SG-CB 3.32Å; C167-C191 CovalentContact SG-SG 2.02Å; C167-C191 PolarHBondContact SG-SG 3.31Å; C167-L193 PolarHBondContact N-O 3Å; C167-W194 HydrophobicContact CB-CB 4.23Å; C167-W194 CarbonylContact O-C 3.53Å; C167-W194 WeakPolarHBondContact O-CA 3.49Å; C167-W194 WeakPolarHBondContact O-CB 3.17Å; C167-R195 PolarHBondContact O-N 2.77Å
168S98.7Very high97.3Very high1 Ų143.5 Ų43.51%0.00726%0.255CS..  trans-85.9-14.5178.2-57.30000115M135 D136 P170 A171 Y172M135-S168 WeakPolarHBondContact O-CB 3.33Å; M135-S168 PolarHBondContact O-N 2.82Å; M135-S168 PolarHBondContact O-OG 3.15Å; D136-S168 WeakPolarHBondContact OD1-CB 3.26Å; D136-S168 PolarHBondContact OD1-OG 2.99Å; S168-P170 VanDerWaalsContact C-N 3.28Å; S168-P170 WeakPolarHBondContact O-CD 3.31Å; S168-A171 VanDerWaalsContact O-CB 3.31Å; S168-A171 WeakPolarHBondContact O-CB 3.41Å; S168-A171 PolarHBondContact O-N 3.32Å; S168-Y172 WeakPolarHBondContact O-CD2 3.14Å
169Y97.8Very high97.2Very high4 Ų442 Ų422%0.01624%0.237CC..Hα-helixtrans-53.1-33.2-168.586.4-101.2000116M145 P146 Y149 C167 A171 Y172 I173 I182 L187M145-Y169 HydrophobicContact CB-CG 4.32Å; P146-Y169 HydrophobicContact CB-CE2 4.3Å; P146-Y169 HydrophobicContact CG-CD2 4.14Å; P146-Y169 HydrophobicContact CG-CE2 3.9Å; Y149-Y169 AromaticContact CD1-CD1 3.93Å; Y149-Y169 HydrophobicContact CD1-CD1 3.93Å; Y149-Y169 HydrophobicContact CD2-CD1 4.15Å; Y149-Y169 HydrophobicContact CD2-CG 4.44Å; Y149-Y169 HydrophobicContact CE1-CD1 4.29Å; Y149-Y169 HydrophobicContact CE2-CD1 4.5Å; Y149-Y169 HydrophobicContact CE2-CG 4.5Å; Y149-Y169 AromaticContact CG-CD1 3.8Å; Y149-Y169 HydrophobicContact CG-CD1 3.8Å; Y149-Y169 PolarHBondContact OH-N 3.48Å; C167-Y169 HydrophobicContact CB-CD1 4.37Å; Y169-A171 PolarHBondContact O-N 2.64Å; Y169-Y172 PolarHBondContact O-N 2.94Å; Y169-Y172 VanDerWaalsContact O-N 3.08Å; Y169-I173 HydrophobicContact CD2-CD1 3.73Å; Y169-I173 HydrophobicContact CE2-CD1 4.14Å; Y169-I173 PolarHBondContact O-N 2.83Å; Y169-I182 HydrophobicContact CD2-CD1 4.34Å; Y169-I182 HydrophobicContact CE2-CD1 3.82Å; Y169-I182 HydrophobicContact CE2-CG2 4.44Å; Y169-L187 HydrophobicContact CD1-CD1 4.38Å; Y169-L187 HydrophobicContact CE1-CD1 3.44Å; Y169-L187 VanDerWaalsContact CE1-CD1 3.44Å; Y169-L187 WeakPolarHBondContact OH-CB 3.49Å; Y169-L187 WeakPolarHBondContact OH-CD1 3.45Å
170P97.8Very high97Very high0 Ų044.3 Ų44.30%026%0.255CS..Hα-helixtrans-60.1-34175.4-23.936.3000112.5S168 Y172 I173 W175 I182 L187 W194 M196S168-P170 VanDerWaalsContact C-N 3.28Å; S168-P170 WeakPolarHBondContact O-CD 3.31Å; P170-Y172 PolarHBondContact O-N 2.85Å; P170-I173 PolarHBondContact O-N 2.94Å; P170-I173 VanDerWaalsContact O-O 3.12Å; P170-W175 PolarHBondContact O-NE1 3.23Å; P170-I182 HydrophobicContact CB-CD1 4.39Å; P170-L187 HydrophobicContact CG-CD1 4Å; P170-L187 HydrophobicContact CG-CD2 3.83Å; P170-W194 HydrophobicContact CG-CB 4.09Å; P170-W194 HydrophobicContact CG-CG 4.44Å; P170-M196 HydrophobicContact CB-SD 4.29Å
171A97.8Very high96.9Very high33 Ų3344.9 Ų44.927%0.27324%0.242SC..Hα-helixtrans-64.9-22.5176.600000113.9S168 Y169 R195 L197S168-A171 VanDerWaalsContact O-CB 3.31Å; S168-A171 WeakPolarHBondContact O-CB 3.41Å; S168-A171 PolarHBondContact O-N 3.32Å; Y169-A171 PolarHBondContact O-N 2.64Å; A171-R195 HydrophobicContact CB-CB 4.19Å; A171-R195 PolarHBondContact N-O 3.02Å; A171-L197 WeakPolarHBondContact CB-O 3.37Å
172Y97.4Very high96.8Very high64 Ų6441.8 Ų41.825%0.25123%0.23SC..Hα-helixtrans-88.7-16178.4-68.7-92.9000113.3C108 D136 G137 C138 M145 S168 Y169 P170C108-Y172 PolarHBondContact SG-OH 3.45Å; D136-Y172 VanDerWaalsContact CG-OH 3.24Å; D136-Y172 WeakPolarHBondContact OD1-CE2 3.24Å; D136-Y172 PolarHBondContact OD1-OH 3.24Å; G137-Y172 VanDerWaalsContact CA-CE2 3.42Å; G137-Y172 VanDerWaalsContact CA-CZ 3.46Å; G137-Y172 VanDerWaalsContact N-CZ 3.33Å; G137-Y172 PolarHBondContact N-OH 2.85Å; G137-Y172 WeakPolarHBondContact O-CE1 3.22Å; C138-Y172 PolarHBondContact N-OH 2.83Å; C138-Y172 PolarHBondContact SG-OH 3.02Å; M145-Y172 HydrophobicContact CE-CD1 4.16Å; M145-Y172 HydrophobicContact CE-CG 3.96Å; M145-Y172 HydrophobicContact SD-CD2 4.47Å; M145-Y172 HydrophobicContact SD-CG 4.17Å; S168-Y172 WeakPolarHBondContact O-CD2 3.14Å; Y169-Y172 PolarHBondContact O-N 2.94Å; Y169-Y172 VanDerWaalsContact O-N 3.08Å; P170-Y172 PolarHBondContact O-N 2.85Å
173I96.4Very high96.8Very high18 Ų1841.8 Ų41.89%0.09223%0.225CC..SBendtrans-100.2138.7-178.7-63.2177000108.7E142 P146 Y169 P170 W175 L181 I182E142-I173 HydrophobicContact CB-CG1 4.37Å; P146-I173 HydrophobicContact CG-CD1 4.3Å; Y169-I173 HydrophobicContact CD2-CD1 3.73Å; Y169-I173 HydrophobicContact CE2-CD1 4.14Å; Y169-I173 PolarHBondContact O-N 2.83Å; P170-I173 PolarHBondContact O-N 2.94Å; P170-I173 VanDerWaalsContact O-O 3.12Å; I173-W175 HydrophobicContact CG2-CB 4.41Å; I173-W175 PolarHBondContact O-N 3.38Å; I173-L181 HydrophobicContact CG2-CB 3.8Å; I173-L181 HydrophobicContact CG2-CD1 4.28Å; I173-I182 HydrophobicContact CB-CD1 3.89Å; I173-I182 HydrophobicContact CD1-CD1 3.63Å; I173-I182 HydrophobicContact CG1-CD1 4.31Å; I173-I182 HydrophobicContact CG2-CD1 3.85Å
174S95Very high96.7Very high65 Ų6543.3 Ų43.346%0.45523%0.231SC..  trans-74.439.8179.761.90000114.8M176 K177S174-M176 PolarHBondContact O-N 2.97Å; S174-M176 VanDerWaalsContact O-N 3.13Å; S174-K177 WeakPolarHBondContact O-CB 3.45Å; S174-K177 PolarHBondContact O-N 3.14Å
175W95.3Very high96.6Very high4 Ų449.1 Ų49.12%0.01526%0.256CS..THydrogen-bonded Turntrans-58.8-26.9-173.472-92.2000114.2P170 I173 K177 N178 T179 I182 W184 M196 L197 Q217 L221P170-W175 PolarHBondContact O-NE1 3.23Å; I173-W175 HydrophobicContact CG2-CB 4.41Å; I173-W175 PolarHBondContact O-N 3.38Å; W175-K177 PolarHBondContact O-N 3.46Å; W175-N178 CarbonylContact O-C 3.59Å; W175-N178 PolarHBondContact O-N 2.82Å; W175-N178 VanDerWaalsContact O-N 3.1Å; W175-N178 VanDerWaalsContact O-O 3.08Å; W175-T179 HydrophobicContact CE3-CG2 4.34Å; W175-T179 WeakPolarHBondContact O-CA 3.35Å; W175-T179 PolarHBondContact O-N 2.95Å; W175-T179 VanDerWaalsContact O-N 3.12Å; W175-I182 HydrophobicContact CB-CD1 4.16Å; W175-I182 HydrophobicContact CB-CG1 3.44Å; W175-I182 VanDerWaalsContact CB-CG1 3.44Å; W175-I182 HydrophobicContact CG-CG1 4.08Å; W175-W184 AromaticContact CD2-CH2 3.81Å; W175-W184 HydrophobicContact CD2-CH2 3.81Å; W175-W184 HydrophobicContact CD2-CZ2 4.33Å; W175-W184 AromaticContact CE3-CH2 3.6Å; W175-W184 HydrophobicContact CE3-CH2 3.6Å; W175-W184 AromaticContact CE3-CZ2 3.81Å; W175-W184 HydrophobicContact CE3-CZ2 3.81Å; W175-W184 HydrophobicContact CG-CH2 4.19Å; W175-W184 HydrophobicContact CZ3-CH2 4.13Å; W175-W184 HydrophobicContact CZ3-CZ2 4.44Å; W175-M196 HydrophobicContact CD2-CE 3.99Å; W175-M196 VanDerWaalsContact CE2-CE 3.43Å; W175-M196 HydrophobicContact CE3-CE 4.18Å; W175-M196 HydrophobicContact CH2-CE 3.35Å; W175-M196 HydrophobicContact CZ2-CB 4.12Å; W175-M196 HydrophobicContact CZ2-CE 3.13Å; W175-M196 WeakPolarHBondContact CZ2-O 3.18Å; W175-M196 HydrophobicContact CZ3-CE 3.88Å; W175-M196 PolarHBondContact NE1-O 2.89Å; W175-L197 HydrophobicContact CZ2-CD2 4.21Å; W175-Q217 HydrophobicContact CH2-CB 3.88Å; W175-Q217 HydrophobicContact CH2-CG 3.54Å; W175-Q217 HydrophobicContact CZ3-CB 3.97Å; W175-Q217 HydrophobicContact CZ3-CG 3.61Å; W175-L221 HydrophobicContact CH2-CD2 3.87Å; W175-L221 HydrophobicContact CZ3-CD2 4.32Å
176M94.5Very high96.5Very high91 Ų9151.4 Ų51.445%0.44827%0.266SS..THydrogen-bonded Turntrans-62.2-27.5176.4-73.6-165.9-72.900112.7S174 L197 A213 Q217S174-M176 PolarHBondContact O-N 2.97Å; S174-M176 VanDerWaalsContact O-N 3.13Å; M176-L197 HydrophobicContact CE-CD2 3.69Å; M176-L197 HydrophobicContact CG-CD2 4.36Å; M176-L197 HydrophobicContact SD-CD2 3.43Å; M176-L197 WeakPolarHBondContact SD-CD2 3.45Å; M176-A213 HydrophobicContact SD-CB 4.05Å; M176-Q217 HydrophobicContact CG-CG 4.32Å; M176-Q217 PolarHBondContact O-NE2 3.12Å
177K93.4Very high96.5Very high192 Ų19251.3 Ų51.384%0.83527%0.265SS*.THydrogen-bonded Turntrans-80.9-30.4175.3-64.8-178.9179.3176.50112.1S174 W175S174-K177 WeakPolarHBondContact O-CB 3.45Å; S174-K177 PolarHBondContact O-N 3.14Å; W175-K177 PolarHBondContact O-N 3.46Å
178N94.7Very high96.4Very high73 Ų7353.1 Ų53.139%0.3927%0.274SS..  trans-152.4103.9178.6178.617.4000109.9W175 S180 L181W175-N178 CarbonylContact O-C 3.59Å; W175-N178 PolarHBondContact O-N 2.82Å; W175-N178 VanDerWaalsContact O-N 3.1Å; W175-N178 VanDerWaalsContact O-O 3.08Å; N178-S180 VanDerWaalsContact CG-OG 3.29Å; N178-S180 PolarHBondContact ND2-OG 2.78Å; N178-S180 PolarHBondContact O-N 2.83Å; N178-S180 VanDerWaalsContact O-N 3.14Å; N178-S180 PolarHBondContact OD1-N 3.35Å; N178-S180 PolarHBondContact OD1-OG 2.77Å; N178-L181 HydrophobicContact CB-CD1 4.07Å; N178-L181 HydrophobicContact CB-CG 4.04Å; N178-L181 WeakPolarHBondContact O-CB 3.5Å; N178-L181 VanDerWaalsContact O-CG 3.31Å; N178-L181 WeakPolarHBondContact O-CG 3.41Å; N178-L181 PolarHBondContact O-N 2.85Å; N178-L181 VanDerWaalsContact O-N 3.12Å
179T94.9Very high96.4Very high53 Ų5358.1 Ų58.133%0.32530%0.3SS..G310 helixtrans-68.8-13.1-173.858.30000113W175 L181 W184 V220W175-T179 HydrophobicContact CE3-CG2 4.34Å; W175-T179 WeakPolarHBondContact O-CA 3.35Å; W175-T179 PolarHBondContact O-N 2.95Å; W175-T179 VanDerWaalsContact O-N 3.12Å; T179-L181 PolarHBondContact O-N 3.28Å; T179-W184 PolarHBondContact O-NE1 3.36Å; T179-V220 HydrophobicContact CG2-CG2 4Å
180S94.7Very high96.4Very high90 Ų9059.4 Ų59.463%0.62931%0.307SS*.G310 helixtrans-76.9-8.3174.471.50000113.9N178 I182N178-S180 VanDerWaalsContact CG-OG 3.29Å; N178-S180 PolarHBondContact ND2-OG 2.78Å; N178-S180 PolarHBondContact O-N 2.83Å; N178-S180 VanDerWaalsContact O-N 3.14Å; N178-S180 PolarHBondContact OD1-N 3.35Å; N178-S180 PolarHBondContact OD1-OG 2.77Å; S180-I182 PolarHBondContact O-N 2.88Å
181L95.8Very high96.4Very high80 Ų8059.5 Ų59.542%0.41931%0.308SS..G310 helixtrans-68.7-16174.2-65.8175.4000113.1I173 N178 T179I173-L181 HydrophobicContact CG2-CB 3.8Å; I173-L181 HydrophobicContact CG2-CD1 4.28Å; N178-L181 HydrophobicContact CB-CD1 4.07Å; N178-L181 HydrophobicContact CB-CG 4.04Å; N178-L181 WeakPolarHBondContact O-CB 3.5Å; N178-L181 VanDerWaalsContact O-CG 3.31Å; N178-L181 WeakPolarHBondContact O-CG 3.41Å; N178-L181 PolarHBondContact O-N 2.85Å; N178-L181 VanDerWaalsContact O-N 3.12Å; T179-L181 PolarHBondContact O-N 3.28Å
182I96.9Very high96.5Very high5 Ų559.2 Ų59.23%0.02630%0.302CS..SBendtrans-112.8126176.7-54.6-68000109Y169 P170 I173 W175 S180 W184 L187Y169-I182 HydrophobicContact CD2-CD1 4.34Å; Y169-I182 HydrophobicContact CE2-CD1 3.82Å; Y169-I182 HydrophobicContact CE2-CG2 4.44Å; P170-I182 HydrophobicContact CB-CD1 4.39Å; I173-I182 HydrophobicContact CB-CD1 3.89Å; I173-I182 HydrophobicContact CD1-CD1 3.63Å; I173-I182 HydrophobicContact CG1-CD1 4.31Å; I173-I182 HydrophobicContact CG2-CD1 3.85Å; W175-I182 HydrophobicContact CB-CD1 4.16Å; W175-I182 HydrophobicContact CB-CG1 3.44Å; W175-I182 VanDerWaalsContact CB-CG1 3.44Å; W175-I182 HydrophobicContact CG-CG1 4.08Å; S180-I182 PolarHBondContact O-N 2.88Å; I182-W184 HydrophobicContact CB-CD2 3.94Å; I182-W184 HydrophobicContact CB-CE3 4.04Å; I182-W184 HydrophobicContact CB-CH2 3.84Å; I182-W184 HydrophobicContact CB-CZ2 3.71Å; I182-W184 HydrophobicContact CB-CZ3 4Å; I182-W184 HydrophobicContact CG1-CH2 3.84Å; I182-W184 HydrophobicContact CG1-CZ2 4Å; I182-W184 HydrophobicContact CG1-CZ3 4.24Å; I182-W184 HydrophobicContact CG2-CD2 3.71Å; I182-W184 HydrophobicContact CG2-CE3 3.45Å; I182-W184 VanDerWaalsContact CG2-CE3 3.45Å; I182-W184 HydrophobicContact CG2-CG 4.38Å; I182-W184 HydrophobicContact CG2-CH2 4.03Å; I182-W184 HydrophobicContact CG2-CZ2 4.23Å; I182-W184 HydrophobicContact CG2-CZ3 3.63Å; I182-W184 PolarHBondContact O-N 3.09Å; I182-W184 VanDerWaalsContact O-N 3.11Å; I182-W184 PolarHBondContact O-NE1 2.94Å; I182-L187 HydrophobicContact CG2-CD2 4.28Å
183D97Very high96.5Very high90 Ų9056.1 Ų56.148%0.48129%0.29SS..  trans-76.292.7160.8-177.6-16.6000108.9K185 K186 L187D183-K185 VanDerWaalsContact C-N 3.26Å; D183-K185 PolarHBondContact O-N 3.45Å; D183-K185 PolarHBondContact OD1-N 2.82Å; D183-K185 VanDerWaalsContact OD1-N 3.13Å; D183-K186 HydrophobicContact CB-CB 3.85Å; D183-K186 HydrophobicContact CB-CD 4.46Å; D183-K186 PolarHBondContact O-N 2.79Å; D183-K186 WeakPolarHBondContact OD1-CB 3.44Å; D183-K186 PolarHBondContact OD1-N 2.97Å; D183-K186 WeakPolarHBondContact OD2-CB 3.44Å; D183-L187 PolarHBondContact O-N 3.44Å
184W97.2Very high96.6Very high39 Ų3955.3 Ų55.315%0.14829%0.286CS..Hα-helixtrans-62.4-32-177.7-58.2108.7000113.3W175 T179 I182 L187 Q188 M196 V220 L224W175-W184 AromaticContact CD2-CH2 3.81Å; W175-W184 HydrophobicContact CD2-CH2 3.81Å; W175-W184 HydrophobicContact CD2-CZ2 4.33Å; W175-W184 AromaticContact CE3-CH2 3.6Å; W175-W184 HydrophobicContact CE3-CH2 3.6Å; W175-W184 AromaticContact CE3-CZ2 3.81Å; W175-W184 HydrophobicContact CE3-CZ2 3.81Å; W175-W184 HydrophobicContact CG-CH2 4.19Å; W175-W184 HydrophobicContact CZ3-CH2 4.13Å; W175-W184 HydrophobicContact CZ3-CZ2 4.44Å; T179-W184 PolarHBondContact O-NE1 3.36Å; I182-W184 HydrophobicContact CB-CD2 3.94Å; I182-W184 HydrophobicContact CB-CE3 4.04Å; I182-W184 HydrophobicContact CB-CH2 3.84Å; I182-W184 HydrophobicContact CB-CZ2 3.71Å; I182-W184 HydrophobicContact CB-CZ3 4Å; I182-W184 HydrophobicContact CG1-CH2 3.84Å; I182-W184 HydrophobicContact CG1-CZ2 4Å; I182-W184 HydrophobicContact CG1-CZ3 4.24Å; I182-W184 HydrophobicContact CG2-CD2 3.71Å; I182-W184 HydrophobicContact CG2-CE3 3.45Å; I182-W184 VanDerWaalsContact CG2-CE3 3.45Å; I182-W184 HydrophobicContact CG2-CG 4.38Å; I182-W184 HydrophobicContact CG2-CH2 4.03Å; I182-W184 HydrophobicContact CG2-CZ2 4.23Å; I182-W184 HydrophobicContact CG2-CZ3 3.63Å; I182-W184 PolarHBondContact O-N 3.09Å; I182-W184 VanDerWaalsContact O-N 3.11Å; I182-W184 PolarHBondContact O-NE1 2.94Å; W184-L187 HydrophobicContact CE3-CD2 3.91Å; W184-L187 HydrophobicContact CZ3-CD2 4.07Å; W184-L187 WeakPolarHBondContact O-CB 3.33Å; W184-L187 PolarHBondContact O-N 2.86Å; W184-Q188 PolarHBondContact O-N 2.77Å; W184-M196 HydrophobicContact CH2-CE 3.62Å; W184-M196 HydrophobicContact CZ3-CE 3.63Å; W184-M196 HydrophobicContact CZ3-SD 4.32Å; W184-V220 HydrophobicContact CZ2-CG1 4.12Å; W184-L224 HydrophobicContact CB-CD2 3.65Å; W184-L224 HydrophobicContact CD2-CD1 3.65Å; W184-L224 HydrophobicContact CD2-CD2 4.28Å; W184-L224 HydrophobicContact CE3-CD1 3.24Å; W184-L224 HydrophobicContact CE3-CD2 4.41Å; W184-L224 HydrophobicContact CE3-CG 4.44Å; W184-L224 HydrophobicContact CG-CD1 4.24Å; W184-L224 HydrophobicContact CG-CD2 3.98Å; W184-L224 HydrophobicContact CH2-CD1 4.36Å; W184-L224 HydrophobicContact CZ3-CD1 3.64Å
185K97.1Very high96.8Very high125 Ų12552.6 Ų52.654%0.54327%0.266SS..Hα-helixtrans-71.5-41.6179.5-175.860.2-179.6173.90110.3D183 L187 Q188 N189D183-K185 VanDerWaalsContact C-N 3.26Å; D183-K185 PolarHBondContact O-N 3.45Å; D183-K185 PolarHBondContact OD1-N 2.82Å; D183-K185 VanDerWaalsContact OD1-N 3.13Å; K185-L187 VanDerWaalsContact C-N 3.32Å; K185-Q188 PolarHBondContact O-N 2.9Å; K185-N189 WeakPolarHBondContact O-CB 3.48Å; K185-N189 PolarHBondContact O-N 3.24Å; K185-N189 PolarHBondContact O-ND2 3.17Å
186K97.3Very high96.9Very high51 Ų5152.4 Ų52.422%0.22227%0.265CS..Hα-helixtrans-62.4-39.8173-177178.1-177.61790111.8P146 D147 D183 N189 N190P146-K186 WeakPolarHBondContact O-CE 3.12Å; D147-K186 IonicContact OD1-NZ 3.13Å; D147-K186 PolarHBondContact OD1-NZ 2.75Å; D183-K186 HydrophobicContact CB-CB 3.85Å; D183-K186 HydrophobicContact CB-CD 4.46Å; D183-K186 PolarHBondContact O-N 2.79Å; D183-K186 WeakPolarHBondContact OD1-CB 3.44Å; D183-K186 PolarHBondContact OD1-N 2.97Å; D183-K186 WeakPolarHBondContact OD2-CB 3.44Å; K186-N189 PolarHBondContact O-N 2.96Å; K186-N190 VanDerWaalsContact CG-ND2 3.29Å; K186-N190 WeakPolarHBondContact CG-ND2 3.41Å; K186-N190 WeakPolarHBondContact O-CB 3.38Å; K186-N190 VanDerWaalsContact O-CG 3.31Å; K186-N190 PolarHBondContact O-N 3.39Å; K186-N190 VanDerWaalsContact O-N 3.17Å; K186-N190 PolarHBondContact O-ND2 3.34Å
187L98.1Very high97Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-58.6-54.1174.4-17859.9000111.3C167 Y169 P170 I182 D183 W184 K185 N189 N190 C191 W194C167-L187 HydrophobicContact CB-CD1 4.5Å; Y169-L187 HydrophobicContact CD1-CD1 4.38Å; Y169-L187 HydrophobicContact CE1-CD1 3.44Å; Y169-L187 VanDerWaalsContact CE1-CD1 3.44Å; Y169-L187 WeakPolarHBondContact OH-CB 3.49Å; Y169-L187 WeakPolarHBondContact OH-CD1 3.45Å; P170-L187 HydrophobicContact CG-CD1 4Å; P170-L187 HydrophobicContact CG-CD2 3.83Å; I182-L187 HydrophobicContact CG2-CD2 4.28Å; D183-L187 PolarHBondContact O-N 3.44Å; W184-L187 HydrophobicContact CE3-CD2 3.91Å; W184-L187 HydrophobicContact CZ3-CD2 4.07Å; W184-L187 WeakPolarHBondContact O-CB 3.33Å; W184-L187 PolarHBondContact O-N 2.86Å; K185-L187 VanDerWaalsContact C-N 3.32Å; L187-N189 VanDerWaalsContact C-N 3.29Å; L187-N189 PolarHBondContact O-N 2.78Å; L187-N190 PolarHBondContact O-N 2.98Å; L187-N190 VanDerWaalsContact O-N 3.14Å; L187-C191 HydrophobicContact CD1-CB 4.09Å; L187-C191 WeakPolarHBondContact O-CB 3.41Å; L187-C191 PolarHBondContact O-N 3.1Å; L187-W194 HydrophobicContact CD1-CB 3.97Å; L187-W194 HydrophobicContact CD1-CD2 3.92Å; L187-W194 HydrophobicContact CD1-CE3 3.79Å; L187-W194 HydrophobicContact CD1-CG 4Å; L187-W194 HydrophobicContact CD2-CB 4.38Å; L187-W194 HydrophobicContact CD2-CD2 3.5Å; L187-W194 VanDerWaalsContact CD2-CD2 3.5Å; L187-W194 HydrophobicContact CD2-CE3 3.98Å; L187-W194 HydrophobicContact CD2-CG 3.66Å; L187-W194 HydrophobicContact CD2-CZ2 4.26Å; L187-W194 HydrophobicContact CD2-CZ3 4.5Å; L187-W194 HydrophobicContact CG-CD2 3.59Å; L187-W194 HydrophobicContact CG-CE3 3.51Å; L187-W194 HydrophobicContact CG-CG 4.05Å; L187-W194 HydrophobicContact CG-CH2 4.39Å; L187-W194 HydrophobicContact CG-CZ3 3.91Å
188Q97.6Very high97Very high38 Ų3842.3 Ų42.318%0.17823%0.234CC..Hα-helixtrans-57-38.4177.6-80.1179-36.100113.6W184 K185 N190 W194 L224 H229W184-Q188 PolarHBondContact O-N 2.77Å; K185-Q188 PolarHBondContact O-N 2.9Å; Q188-N190 VanDerWaalsContact C-N 3.33Å; Q188-W194 HydrophobicContact CB-CH2 4.5Å; Q188-W194 HydrophobicContact CG-CH2 3.66Å; Q188-W194 HydrophobicContact CG-CZ3 4.32Å; Q188-L224 PolarHBondContact NE2-O 2.73Å; Q188-H229 HydrophobicContact CG-CB 4.36Å; Q188-H229 PolarHBondContact NE2-CE1 2.9Å
189N97.2Very high97.1Very high105 Ų10541.5 Ų41.556%0.56123%0.23SC*.Hα-helixtrans-74.5-23.8-178.9-70.5-15.1000113.1K185 K186 L187K185-N189 WeakPolarHBondContact O-CB 3.48Å; K185-N189 PolarHBondContact O-N 3.24Å; K185-N189 PolarHBondContact O-ND2 3.17Å; K186-N189 PolarHBondContact O-N 2.96Å; L187-N189 VanDerWaalsContact C-N 3.29Å; L187-N189 PolarHBondContact O-N 2.78Å
190N98.1Very high97.3Very high31 Ų3139 Ų3917%0.16622%0.215CC..Hα-helixtrans-107-24.8-172.4-68.6-42.8000113.7S153 F165 K186 L187 Q188S153-N190 VanDerWaalsContact CB-O 3.29Å; S153-N190 WeakPolarHBondContact CB-O 3.37Å; S153-N190 PolarHBondContact OG-O 2.95Å; F165-N190 VanDerWaalsContact CD1-O 3.3Å; F165-N190 WeakPolarHBondContact CD1-O 3.43Å; K186-N190 VanDerWaalsContact CG-ND2 3.29Å; K186-N190 WeakPolarHBondContact CG-ND2 3.41Å; K186-N190 WeakPolarHBondContact O-CB 3.38Å; K186-N190 VanDerWaalsContact O-CG 3.31Å; K186-N190 PolarHBondContact O-N 3.39Å; K186-N190 VanDerWaalsContact O-N 3.17Å; K186-N190 PolarHBondContact O-ND2 3.34Å; L187-N190 PolarHBondContact O-N 2.98Å; L187-N190 VanDerWaalsContact O-N 3.14Å; Q188-N190 VanDerWaalsContact C-N 3.33Å
191C98.7Very high97.5Very high3 Ų338.4 Ų38.42%0.0220%0.202CC..  trans-124145.4-169.9-60.20000111.3C167 L187 W194C167-C191 HydrophobicContact CB-CB 3.8Å; C167-C191 WeakPolarHBondContact CB-SG 3.48Å; C167-C191 WeakPolarHBondContact SG-CB 3.32Å; C167-C191 CovalentContact SG-SG 2.02Å; C167-C191 PolarHBondContact SG-SG 3.31Å; L187-C191 HydrophobicContact CD1-CB 4.09Å; L187-C191 WeakPolarHBondContact O-CB 3.41Å; L187-C191 PolarHBondContact O-N 3.1Å; C191-W194 HydrophobicContact CB-CE3 3.89Å; C191-W194 HydrophobicContact CB-CZ3 4.43Å
192N98.7Very high97.6Very high26 Ų2636.6 Ų36.614%0.13919%0.193CC..SBendtrans-87.5-22.4174.3-67.1121.6000113.8A2 V164 F165 G228 H229 W230A2-N192 HydrophobicContact CB-CB 4.18Å; V164-N192 WeakPolarHBondContact CA-OD1 3.3Å; V164-N192 HydrophobicContact CG1-CB 3.9Å; F165-N192 PolarHBondContact N-OD1 3.08Å; F165-N192 PolarHBondContact O-N 3.1Å; N192-G228 VanDerWaalsContact CA-O 3.24Å; N192-G228 WeakPolarHBondContact CA-O 3.36Å; N192-G228 PolarHBondContact ND2-O 2.93Å; N192-G228 VanDerWaalsContact ND2-O 3.1Å; N192-H229 CarbonylContact O-C 3.55Å; N192-H229 WeakPolarHBondContact O-CA 3.47Å; N192-W230 PolarHBondContact O-N 2.84Å
193L98.8Very high97.6Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-160.8164173.562.7166.4000108.8P6 Y132 V164 F165 S166 C167 W230 P261P6-L193 HydrophobicContact CG-CD1 4.4Å; Y132-L193 HydrophobicContact CE2-CD1 4.29Å; Y132-L193 HydrophobicContact CE2-CD2 4.02Å; V164-L193 HydrophobicContact CG1-CD2 3.54Å; F165-L193 PolarHBondContact O-N 3.49Å; S166-L193 WeakPolarHBondContact CA-O 3.32Å; C167-L193 PolarHBondContact N-O 3Å; L193-W230 CarbonylContact C-O 3.6Å; L193-W230 WeakPolarHBondContact CA-O 3.28Å; L193-W230 HydrophobicContact CB-CB 4.05Å; L193-W230 WeakPolarHBondContact CB-O 3.25Å; L193-P261 HydrophobicContact CD1-CB 4.16Å; L193-P261 HydrophobicContact CD1-CG 3.48Å; L193-P261 VanDerWaalsContact CD1-CG 3.48Å
194W98.7Very high97.7Very high1 Ų134.8 Ų34.80%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-153.5138.7-178.947.974.6000113C167 P170 L187 Q188 C191 M196 L224 H229 W230 N231 D232C167-W194 HydrophobicContact CB-CB 4.23Å; C167-W194 CarbonylContact O-C 3.53Å; C167-W194 WeakPolarHBondContact O-CA 3.49Å; C167-W194 WeakPolarHBondContact O-CB 3.17Å; P170-W194 HydrophobicContact CG-CB 4.09Å; P170-W194 HydrophobicContact CG-CG 4.44Å; L187-W194 HydrophobicContact CD1-CB 3.97Å; L187-W194 HydrophobicContact CD1-CD2 3.92Å; L187-W194 HydrophobicContact CD1-CE3 3.79Å; L187-W194 HydrophobicContact CD1-CG 4Å; L187-W194 HydrophobicContact CD2-CB 4.38Å; L187-W194 HydrophobicContact CD2-CD2 3.5Å; L187-W194 VanDerWaalsContact CD2-CD2 3.5Å; L187-W194 HydrophobicContact CD2-CE3 3.98Å; L187-W194 HydrophobicContact CD2-CG 3.66Å; L187-W194 HydrophobicContact CD2-CZ2 4.26Å; L187-W194 HydrophobicContact CD2-CZ3 4.5Å; L187-W194 HydrophobicContact CG-CD2 3.59Å; L187-W194 HydrophobicContact CG-CE3 3.51Å; L187-W194 HydrophobicContact CG-CG 4.05Å; L187-W194 HydrophobicContact CG-CH2 4.39Å; L187-W194 HydrophobicContact CG-CZ3 3.91Å; Q188-W194 HydrophobicContact CB-CH2 4.5Å; Q188-W194 HydrophobicContact CG-CH2 3.66Å; Q188-W194 HydrophobicContact CG-CZ3 4.32Å; C191-W194 HydrophobicContact CB-CE3 3.89Å; C191-W194 HydrophobicContact CB-CZ3 4.43Å; W194-M196 HydrophobicContact CG-SD 4.35Å; W194-M196 PolarHBondContact NE1-SD 3.37Å; W194-M196 VanDerWaalsContact NE1-SD 3.35Å; W194-M196 PolarHBondContact O-N 3.46Å; W194-L224 HydrophobicContact CZ2-CB 4.14Å; W194-H229 HydrophobicContact CH2-CB 3.6Å; W194-H229 HydrophobicContact CZ3-CB 3.66Å; W194-W230 PolarHBondContact N-O 3.25Å; W194-N231 PolarHBondContact NE1-OD1 3.15Å; W194-D232 WeakPolarHBondContact O-CA 3.47Å; W194-D232 WeakPolarHBondContact O-CB 3.22Å; W194-D232 PolarHBondContact O-N 3.35Å
195R98.6Very high97.7Very high7 Ų736.8 Ų36.83%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-70.2123173.9-71.8-76.3-54.5-70.6-26.5108.9C167 A171 L197 D199 D232 D234C167-R195 PolarHBondContact O-N 2.77Å; A171-R195 HydrophobicContact CB-CB 4.19Å; A171-R195 PolarHBondContact N-O 3.02Å; R195-L197 PolarHBondContact NH2-O 2.86Å; R195-D199 IonicContact CZ-OD1 3.59Å; R195-D199 IonicContact NH1-OD1 3.44Å; R195-D199 PolarHBondContact NH1-OD1 2.86Å; R195-D199 IonicContact NH2-OD1 2.74Å; R195-D199 PolarHBondContact NH2-OD1 2.94Å; R195-D232 WeakPolarHBondContact CD-OD2 3.45Å; R195-D234 IonicContact CZ-OD1 2.76Å; R195-D234 IonicContact CZ-OD2 3.59Å; R195-D234 IonicContact NE-OD1 2.6Å; R195-D234 IonicContact NE-OD2 2.75Å; R195-D234 IonicContact NH1-OD1 2.7Å; R195-D234 PolarHBondContact NH1-OD1 3Å; R195-D234 IonicContact NH1-OD2 2.96Å; R195-D234 PolarHBondContact NH1-OD2 2.72Å; R195-D234 VanDerWaalsContact NH1-OD2 3.15Å; R195-D234 IonicContact NH2-OD2 3.29Å; R195-D234 PolarHBondContact NH2-OD2 3.14Å
196M96.5Very high97.8Very high1 Ų131.5 Ų31.51%0.00518%0.183CC..  trans-90-25-177.9-71.6-54.2-67.200113.6P170 W175 W184 W194 Y214 L221 N231 D232P170-M196 HydrophobicContact CB-SD 4.29Å; W175-M196 HydrophobicContact CD2-CE 3.99Å; W175-M196 VanDerWaalsContact CE2-CE 3.43Å; W175-M196 HydrophobicContact CE3-CE 4.18Å; W175-M196 HydrophobicContact CH2-CE 3.35Å; W175-M196 HydrophobicContact CZ2-CB 4.12Å; W175-M196 HydrophobicContact CZ2-CE 3.13Å; W175-M196 WeakPolarHBondContact CZ2-O 3.18Å; W175-M196 HydrophobicContact CZ3-CE 3.88Å; W175-M196 PolarHBondContact NE1-O 2.89Å; W184-M196 HydrophobicContact CH2-CE 3.62Å; W184-M196 HydrophobicContact CZ3-CE 3.63Å; W184-M196 HydrophobicContact CZ3-SD 4.32Å; W194-M196 HydrophobicContact CG-SD 4.35Å; W194-M196 PolarHBondContact NE1-SD 3.37Å; W194-M196 VanDerWaalsContact NE1-SD 3.35Å; W194-M196 PolarHBondContact O-N 3.46Å; M196-Y214 HydrophobicContact CB-CE2 4.47Å; M196-L221 HydrophobicContact CE-CD2 3.32Å; M196-L221 HydrophobicContact CG-CD2 4.3Å; M196-L221 HydrophobicContact SD-CD2 4.29Å; M196-N231 HydrophobicContact CG-CB 4.14Å; M196-D232 PolarHBondContact N-O 3.28Å
197L96.5Very high97.8Very high16 Ų1629 Ų298%0.08417%0.172CC..SBendtrans-139172.4-167-56.5171.7000110.3A171 W175 M176 R195 I210 A213 Y214A171-L197 WeakPolarHBondContact CB-O 3.37Å; W175-L197 HydrophobicContact CZ2-CD2 4.21Å; M176-L197 HydrophobicContact CE-CD2 3.69Å; M176-L197 HydrophobicContact CG-CD2 4.36Å; M176-L197 HydrophobicContact SD-CD2 3.43Å; M176-L197 WeakPolarHBondContact SD-CD2 3.45Å; R195-L197 PolarHBondContact NH2-O 2.86Å; L197-I210 HydrophobicContact CD1-CB 4.18Å; L197-I210 HydrophobicContact CD1-CG1 4.09Å; L197-I210 HydrophobicContact CD1-CG2 4Å; L197-A213 HydrophobicContact CD1-CB 3.58Å; L197-A213 HydrophobicContact CD2-CB 3.83Å; L197-A213 HydrophobicContact CG-CB 4.38Å; L197-Y214 HydrophobicContact CD1-CD2 4.03Å; L197-Y214 HydrophobicContact CD1-CE2 3.92Å
198G93.6Very high97.8Very high54 Ų5430.1 Ų30.156%0.55718%0.178SC*.SBendtrans-59.8165.817100000113.1
199D97.7Very high97.9Very high56 Ų5631.4 Ų31.430%0.29919%0.191SC..PPolyproline II helixtrans-60.6135.7-173-79.110.1000113.5W12 R195 Q201 D234W12-D199 PolarHBondContact NE1-OD2 3.44Å; R195-D199 IonicContact CZ-OD1 3.59Å; R195-D199 IonicContact NH1-OD1 3.44Å; R195-D199 PolarHBondContact NH1-OD1 2.86Å; R195-D199 IonicContact NH2-OD1 2.74Å; R195-D199 PolarHBondContact NH2-OD1 2.94Å; D199-Q201 PolarHBondContact O-N 3.23Å; D199-Q201 PolarHBondContact O-NE2 3.28Å; D199-Q201 VanDerWaalsContact O-NE2 3.09Å; D199-D234 WeakPolarHBondContact CA-OD2 3.42Å
200V98.3Very high97.9Very high1 Ų126.7 Ų26.71%0.00617%0.166CC..PPolyproline II helixtrans-64.6133.716972.70000110Q13 S206 I210 D234 M235 L237Q13-V200 HydrophobicContact CG-CG1 4.33Å; V200-S206 WeakPolarHBondContact CA-OG 3.37Å; V200-I210 HydrophobicContact CB-CD1 3.9Å; V200-I210 HydrophobicContact CG2-CD1 3.86Å; V200-D234 HydrophobicContact CB-CB 3.96Å; V200-D234 HydrophobicContact CG1-CB 3.84Å; V200-D234 WeakPolarHBondContact CG1-OD2 3.32Å; V200-D234 PolarHBondContact N-OD2 3.26Å; V200-M235 HydrophobicContact CG1-CB 4.3Å; V200-L237 HydrophobicContact CG1-CD2 3.85Å; V200-L237 HydrophobicContact CG2-CD1 3.94Å; V200-L237 HydrophobicContact CG2-CD2 3.86Å; V200-L237 HydrophobicContact CG2-CG 4.14Å
201Q98.4Very high98Very high77 Ų7725.2 Ų25.236%0.3616%0.158SC..  trans-111.2159.1175.2-54-52.5-40.200110.1D199 S203 S206 L237D199-Q201 PolarHBondContact O-N 3.23Å; D199-Q201 PolarHBondContact O-NE2 3.28Å; D199-Q201 VanDerWaalsContact O-NE2 3.09Å; Q201-S203 PolarHBondContact O-N 3.24Å; Q201-S206 PolarHBondContact N-OG 3.04Å; Q201-L237 WeakPolarHBondContact O-CD1 3.45Å
202D98.5Very high97.9Very high43 Ų4327.9 Ų27.923%0.2317%0.171CC..SBendtrans-71.664.8178.4-158.712.3000111.9Q13 N240 F241 G242Q13-D202 VanDerWaalsContact NE2-CB 3.26Å; D202-N240 WeakPolarHBondContact OD2-CB 3.48Å; D202-F241 WeakPolarHBondContact OD2-CA 3.31Å; D202-F241 WeakPolarHBondContact OD2-CB 3.43Å; D202-F241 VanDerWaalsContact OD2-CD2 3.32Å; D202-F241 WeakPolarHBondContact OD2-CD2 3.33Å; D202-F241 PolarHBondContact OD2-N 3Å; D202-G242 WeakPolarHBondContact O-CA 3.44Å; D202-G242 WeakPolarHBondContact OD1-CA 3.15Å; D202-G242 PolarHBondContact OD1-N 3.12Å; D202-G242 PolarHBondContact OD2-N 3.37Å
203S98.3Very high97.9Very high33 Ų3327.2 Ų27.223%0.23117%0.17CC..SBendtrans-157.1149.1-178.474.70000112.5Q201 S205 S206 V207Q201-S203 PolarHBondContact O-N 3.24Å; S203-S205 VanDerWaalsContact C-N 3.28Å; S203-S205 PolarHBondContact O-N 3.07Å; S203-S205 PolarHBondContact OG-OG 3.3Å; S203-S206 PolarHBondContact O-N 2.97Å; S203-S206 WeakPolarHBondContact OG-CB 3.12Å; S203-S206 PolarHBondContact OG-N 3.07Å; S203-V207 PolarHBondContact O-N 2.98Å
204W97.8Very high97.9Very high24 Ų2427.3 Ų27.39%0.09117%0.17CC..Hα-helixtrans-56.8-41.6171.4174.1-126.9000112.8S206 V207 I208 L243 Q247 V250 L324W204-S206 PolarHBondContact O-N 3.27Å; W204-V207 HydrophobicContact CE3-CB 4.25Å; W204-V207 HydrophobicContact CE3-CG1 4.33Å; W204-V207 HydrophobicContact CZ3-CG1 4.11Å; W204-V207 PolarHBondContact O-N 3.37Å; W204-I208 HydrophobicContact CD2-CB 4.35Å; W204-I208 HydrophobicContact CH2-CB 4.17Å; W204-I208 HydrophobicContact CH2-CD1 3.89Å; W204-I208 HydrophobicContact CH2-CG1 4.31Å; W204-I208 HydrophobicContact CZ2-CB 3.93Å; W204-I208 HydrophobicContact CZ2-CD1 3.91Å; W204-I208 HydrophobicContact CZ2-CG1 3.95Å; W204-I208 HydrophobicContact CZ3-CB 4.45Å; W204-I208 WeakPolarHBondContact O-CG2 3.41Å; W204-I208 PolarHBondContact O-N 2.82Å; W204-L243 HydrophobicContact CB-CD2 4.43Å; W204-Q247 HydrophobicContact CD2-CG 3.79Å; W204-Q247 HydrophobicContact CE3-CB 3.82Å; W204-Q247 HydrophobicContact CE3-CG 3.53Å; W204-Q247 HydrophobicContact CG-CG 4.23Å; W204-Q247 HydrophobicContact CZ3-CB 4.17Å; W204-Q247 HydrophobicContact CZ3-CG 3.98Å; W204-V250 HydrophobicContact CH2-CB 4.23Å; W204-V250 HydrophobicContact CH2-CG1 3.87Å; W204-V250 HydrophobicContact CH2-CG2 4.12Å; W204-V250 HydrophobicContact CZ3-CB 3.97Å; W204-V250 HydrophobicContact CZ3-CG1 3.8Å; W204-V250 HydrophobicContact CZ3-CG2 4.25Å; W204-L324 HydrophobicContact CH2-CD1 4.5Å
205S97.9Very high97.8Very high81 Ų8129.9 Ų29.957%0.56618%0.181SC*.Hα-helixtrans-57.8-37.2178.956.90000112.5S203 S209S203-S205 VanDerWaalsContact C-N 3.28Å; S203-S205 PolarHBondContact O-N 3.07Å; S203-S205 PolarHBondContact OG-OG 3.3Å; S205-S209 VanDerWaalsContact O-CB 3.26Å; S205-S209 WeakPolarHBondContact O-CB 3.3Å; S205-S209 PolarHBondContact O-N 2.88Å; S205-S209 VanDerWaalsContact O-N 3.13Å; S205-S209 PolarHBondContact O-OG 3.18Å
206S98.3Very high97.7Very high13 Ų1335.9 Ų35.99%0.09121%0.213CC..Hα-helixtrans-68.5-51.2176-177.60000111V200 Q201 S203 W204 I208 S209 I210V200-S206 WeakPolarHBondContact CA-OG 3.37Å; Q201-S206 PolarHBondContact N-OG 3.04Å; S203-S206 PolarHBondContact O-N 2.97Å; S203-S206 WeakPolarHBondContact OG-CB 3.12Å; S203-S206 PolarHBondContact OG-N 3.07Å; W204-S206 PolarHBondContact O-N 3.27Å; S206-I208 PolarHBondContact O-N 2.75Å; S206-S209 PolarHBondContact O-N 2.91Å; S206-S209 PolarHBondContact O-OG 3.21Å; S206-I210 PolarHBondContact O-N 3.13Å; S206-I210 VanDerWaalsContact O-N 3.12Å
207V98.6Very high97.7Very high0 Ų037 Ų370%022%0.218CC..Hα-helixtrans-57-49.2179.7174.30000111.9S203 W204 S209 I210 I211 L237 L243 Q251 W255S203-V207 PolarHBondContact O-N 2.98Å; W204-V207 HydrophobicContact CE3-CB 4.25Å; W204-V207 HydrophobicContact CE3-CG1 4.33Å; W204-V207 HydrophobicContact CZ3-CG1 4.11Å; W204-V207 PolarHBondContact O-N 3.37Å; V207-S209 VanDerWaalsContact C-N 3.35Å; V207-S209 PolarHBondContact O-N 3.2Å; V207-I210 PolarHBondContact O-N 2.92Å; V207-I211 HydrophobicContact CG1-CD1 3.87Å; V207-I211 WeakPolarHBondContact O-CG1 3.45Å; V207-I211 PolarHBondContact O-N 3.37Å; V207-I211 VanDerWaalsContact O-N 3.1Å; V207-L237 HydrophobicContact CG2-CD1 3.68Å; V207-L243 HydrophobicContact CG2-CD1 4.2Å; V207-L243 HydrophobicContact CG2-CD2 4.02Å; V207-Q251 HydrophobicContact CG1-CB 4.06Å; V207-Q251 HydrophobicContact CG1-CG 4.27Å; V207-Q251 HydrophobicContact CG2-CG 4.45Å; V207-W255 HydrophobicContact CG1-CH2 4.38Å; V207-W255 HydrophobicContact CG1-CZ3 4.16Å
208I98.1Very high97.8Very high23 Ų2337.2 Ų37.212%0.11822%0.219CC..Hα-helixtrans-69.9-32-177.3-163.757000112.5W204 S206 I211 N212 L324 T326W204-I208 HydrophobicContact CD2-CB 4.35Å; W204-I208 HydrophobicContact CH2-CB 4.17Å; W204-I208 HydrophobicContact CH2-CD1 3.89Å; W204-I208 HydrophobicContact CH2-CG1 4.31Å; W204-I208 HydrophobicContact CZ2-CB 3.93Å; W204-I208 HydrophobicContact CZ2-CD1 3.91Å; W204-I208 HydrophobicContact CZ2-CG1 3.95Å; W204-I208 HydrophobicContact CZ3-CB 4.45Å; W204-I208 WeakPolarHBondContact O-CG2 3.41Å; W204-I208 PolarHBondContact O-N 2.82Å; S206-I208 PolarHBondContact O-N 2.75Å; I208-I211 HydrophobicContact CD1-CB 4.44Å; I208-I211 HydrophobicContact CD1-CD1 4.43Å; I208-I211 PolarHBondContact O-N 2.83Å; I208-N212 WeakPolarHBondContact O-CB 3.47Å; I208-N212 VanDerWaalsContact O-CG 3.23Å; I208-N212 PolarHBondContact O-N 3.5Å; I208-N212 PolarHBondContact O-ND2 3.1Å; I208-L324 HydrophobicContact CD1-CD2 4.14Å; I208-T326 HydrophobicContact CD1-CG2 4.08Å
209S98.1Very high97.8Very high64 Ų6437.4 Ų37.445%0.44822%0.216SC..Hα-helixtrans-66.8-37.1175.364.50000112.3S205 S206 V207 N212 A213S205-S209 VanDerWaalsContact O-CB 3.26Å; S205-S209 WeakPolarHBondContact O-CB 3.3Å; S205-S209 PolarHBondContact O-N 2.88Å; S205-S209 VanDerWaalsContact O-N 3.13Å; S205-S209 PolarHBondContact O-OG 3.18Å; S206-S209 PolarHBondContact O-N 2.91Å; S206-S209 PolarHBondContact O-OG 3.21Å; V207-S209 VanDerWaalsContact C-N 3.35Å; V207-S209 PolarHBondContact O-N 3.2Å; S209-N212 PolarHBondContact O-N 3.27Å; S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.02Å
210I98.6Very high97.8Very high7 Ų736 Ų364%0.03621%0.209CC..Hα-helixtrans-63.2-49.7172.3-70.5162.7000110.8L197 V200 S206 V207 N212 A213 Y214 P233 W255L197-I210 HydrophobicContact CD1-CB 4.18Å; L197-I210 HydrophobicContact CD1-CG1 4.09Å; L197-I210 HydrophobicContact CD1-CG2 4Å; V200-I210 HydrophobicContact CB-CD1 3.9Å; V200-I210 HydrophobicContact CG2-CD1 3.86Å; S206-I210 PolarHBondContact O-N 3.13Å; S206-I210 VanDerWaalsContact O-N 3.12Å; V207-I210 PolarHBondContact O-N 2.92Å; I210-N212 VanDerWaalsContact C-N 3.29Å; I210-N212 PolarHBondContact O-N 3.34Å; I210-A213 WeakPolarHBondContact O-CB 3.45Å; I210-A213 PolarHBondContact O-N 2.81Å; I210-A213 VanDerWaalsContact O-N 3.15Å; I210-Y214 HydrophobicContact CG2-CD2 4.28Å; I210-Y214 HydrophobicContact CG2-CE2 4.27Å; I210-Y214 WeakPolarHBondContact O-CD2 3.46Å; I210-Y214 PolarHBondContact O-N 3.32Å; I210-P233 HydrophobicContact CG2-CB 3.67Å; I210-W255 HydrophobicContact CB-CH2 4.26Å; I210-W255 HydrophobicContact CD1-CH2 4.34Å; I210-W255 HydrophobicContact CG2-CH2 3.76Å; I210-W255 HydrophobicContact CG2-CZ2 4.25Å; I210-W255 HydrophobicContact CG2-CZ3 4.47Å
211I98.6Very high97.7Very high0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-58.9-42.9178.2-67.3162.4000110.9V207 I208 Y214 K215 V250 M254 W255 F258 W308 L324V207-I211 HydrophobicContact CG1-CD1 3.87Å; V207-I211 WeakPolarHBondContact O-CG1 3.45Å; V207-I211 PolarHBondContact O-N 3.37Å; V207-I211 VanDerWaalsContact O-N 3.1Å; I208-I211 HydrophobicContact CD1-CB 4.44Å; I208-I211 HydrophobicContact CD1-CD1 4.43Å; I208-I211 PolarHBondContact O-N 2.83Å; I211-Y214 PolarHBondContact O-N 3.16Å; I211-K215 PolarHBondContact O-N 2.93Å; I211-V250 HydrophobicContact CD1-CG1 3.56Å; I211-M254 HydrophobicContact CD1-CB 4.04Å; I211-M254 HydrophobicContact CD1-CG 3.83Å; I211-M254 HydrophobicContact CG1-CB 4.1Å; I211-M254 HydrophobicContact CG1-CG 4.2Å; I211-M254 HydrophobicContact CG2-CE 4.34Å; I211-W255 HydrophobicContact CD1-CZ3 4.39Å; I211-W255 HydrophobicContact CG1-CZ3 4.11Å; I211-F258 HydrophobicContact CG1-CE2 4.23Å; I211-F258 HydrophobicContact CG2-CZ 4.39Å; I211-W308 HydrophobicContact CG2-CZ2 4.16Å; I211-L324 HydrophobicContact CD1-CD2 4.28Å; I211-L324 HydrophobicContact CG2-CD2 3.84Å
212N98.1Very high97.7Very high58 Ų5832.7 Ų32.731%0.3120%0.195SC..Hα-helixtrans-66.1-37.2177.7-75.4-27.5000112.5I208 S209 I210 K215 L216 Q306I208-N212 WeakPolarHBondContact O-CB 3.47Å; I208-N212 VanDerWaalsContact O-CG 3.23Å; I208-N212 PolarHBondContact O-N 3.5Å; I208-N212 PolarHBondContact O-ND2 3.1Å; S209-N212 PolarHBondContact O-N 3.27Å; I210-N212 VanDerWaalsContact C-N 3.29Å; I210-N212 PolarHBondContact O-N 3.34Å; N212-K215 WeakPolarHBondContact O-CB 3.37Å; N212-K215 PolarHBondContact O-N 3.39Å; N212-L216 WeakPolarHBondContact O-CG 3.33Å; N212-L216 PolarHBondContact O-N 3.2Å; N212-Q306 PolarHBondContact OD1-NE2 3.18Å
213A97.9Very high97.5Very high12 Ų1236.8 Ų36.810%0.09921%0.21CC..Hα-helixtrans-64-41.3173.500000111.6M176 L197 S209 I210 K215 L216 Q217M176-A213 HydrophobicContact SD-CB 4.05Å; L197-A213 HydrophobicContact CD1-CB 3.58Å; L197-A213 HydrophobicContact CD2-CB 3.83Å; L197-A213 HydrophobicContact CG-CB 4.38Å; S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.02Å; I210-A213 WeakPolarHBondContact O-CB 3.45Å; I210-A213 PolarHBondContact O-N 2.81Å; I210-A213 VanDerWaalsContact O-N 3.15Å; A213-K215 VanDerWaalsContact C-N 3.32Å; A213-K215 PolarHBondContact O-N 3.47Å; A213-L216 PolarHBondContact O-N 2.72Å; A213-Q217 WeakPolarHBondContact O-CB 3.32Å; A213-Q217 WeakPolarHBondContact O-CG 3.37Å; A213-Q217 PolarHBondContact O-N 2.81Å
214Y98.1Very high97.5Very high2 Ų235.9 Ų35.91%0.00820%0.203CC..Hα-helixtrans-62.1-39.6173.8-87.7-121.3000111.8M196 L197 I210 I211 Q217 N218 L221 N231 P233 F258M196-Y214 HydrophobicContact CB-CE2 4.47Å; L197-Y214 HydrophobicContact CD1-CD2 4.03Å; L197-Y214 HydrophobicContact CD1-CE2 3.92Å; I210-Y214 HydrophobicContact CG2-CD2 4.28Å; I210-Y214 HydrophobicContact CG2-CE2 4.27Å; I210-Y214 WeakPolarHBondContact O-CD2 3.46Å; I210-Y214 PolarHBondContact O-N 3.32Å; I211-Y214 PolarHBondContact O-N 3.16Å; Y214-Q217 CarbonylContact O-C 3.6Å; Y214-Q217 PolarHBondContact O-N 3.1Å; Y214-N218 PolarHBondContact O-N 3.45Å; Y214-N218 VanDerWaalsContact O-N 3.16Å; Y214-L221 HydrophobicContact CD1-CD1 3.7Å; Y214-L221 HydrophobicContact CD2-CD1 3.95Å; Y214-L221 HydrophobicContact CE1-CD1 3.92Å; Y214-L221 HydrophobicContact CE2-CD1 4.17Å; Y214-L221 HydrophobicContact CG-CD1 3.7Å; Y214-N231 HydrophobicContact CE1-CB 4.22Å; Y214-P233 HydrophobicContact CE1-CB 4.49Å; Y214-P233 HydrophobicContact CE2-CB 3.87Å; Y214-P233 WeakPolarHBondContact OH-CD 3.41Å; Y214-P233 VanDerWaalsContact OH-N 3.14Å; Y214-F258 HydrophobicContact CD1-CB 4.33Å; Y214-F258 AromaticContact CD1-CD1 3.91Å; Y214-F258 HydrophobicContact CD1-CD1 3.91Å; Y214-F258 AromaticContact CD1-CD2 3.69Å; Y214-F258 HydrophobicContact CD1-CD2 3.69Å; Y214-F258 HydrophobicContact CD1-CE1 4.08Å; Y214-F258 AromaticContact CD1-CE2 3.87Å; Y214-F258 HydrophobicContact CD1-CE2 3.87Å; Y214-F258 AromaticContact CD1-CG 3.71Å; Y214-F258 HydrophobicContact CD1-CG 3.71Å; Y214-F258 HydrophobicContact CD1-CZ 4.06Å; Y214-F258 HydrophobicContact CE1-CB 4.18Å; Y214-F258 AromaticContact CE1-CD2 4Å; Y214-F258 HydrophobicContact CE1-CD2 4Å; Y214-F258 HydrophobicContact CE1-CG 4.02Å; Y214-F258 HydrophobicContact CG-CD2 4.24Å; Y214-F258 HydrophobicContact CG-CE1 4.48Å; Y214-F258 AromaticContact CG-CE2 3.98Å; Y214-F258 HydrophobicContact CG-CE2 3.98Å; Y214-F258 HydrophobicContact CG-CZ 4.1Å
215K97.9Very high97.4Very high55 Ų5535.3 Ų35.324%0.23920%0.203CC..Hα-helixtrans-60.5-46.9172.8165.5179.5165.7-1800111.7I211 N212 A213 Q217 N218 F298 S301 W308I211-K215 PolarHBondContact O-N 2.93Å; N212-K215 WeakPolarHBondContact O-CB 3.37Å; N212-K215 PolarHBondContact O-N 3.39Å; A213-K215 VanDerWaalsContact C-N 3.32Å; A213-K215 PolarHBondContact O-N 3.47Å; K215-Q217 PolarHBondContact O-N 3.41Å; K215-N218 VanDerWaalsContact O-CB 3.25Å; K215-N218 WeakPolarHBondContact O-CB 3.45Å; K215-N218 PolarHBondContact O-N 3.25Å; K215-F298 HydrophobicContact CB-CD2 4.37Å; K215-F298 HydrophobicContact CB-CG 4.44Å; K215-F298 HydrophobicContact CD-CD2 3.91Å; K215-F298 HydrophobicContact CD-CE1 4.25Å; K215-F298 HydrophobicContact CD-CE2 3.56Å; K215-F298 HydrophobicContact CD-CG 4.39Å; K215-F298 HydrophobicContact CD-CZ 3.73Å; K215-F298 HydrophobicContact CG-CB 4.48Å; K215-F298 HydrophobicContact CG-CD1 4.01Å; K215-F298 HydrophobicContact CG-CD2 3.81Å; K215-F298 HydrophobicContact CG-CE1 4.12Å; K215-F298 HydrophobicContact CG-CE2 3.94Å; K215-F298 HydrophobicContact CG-CG 3.83Å; K215-F298 HydrophobicContact CG-CZ 4.07Å; K215-S301 PolarHBondContact NZ-OG 3.15Å; K215-W308 HydrophobicContact CB-CH2 3.72Å; K215-W308 HydrophobicContact CB-CZ2 3.81Å
216L96.9Very high97.4Very high134 Ų13431.7 Ų31.770%0.70218%0.179SC*.Hα-helixtrans-64.2-32.1179.8-71.1172.6000112.1N212 A213N212-L216 WeakPolarHBondContact O-CG 3.33Å; N212-L216 PolarHBondContact O-N 3.2Å; A213-L216 PolarHBondContact O-N 2.72Å
217Q96.3Very high97.4Very high24 Ų2434.4 Ų34.411%0.11220%0.196CC..THydrogen-bonded Turntrans-100.920.7-176.5-56.4-63.9-21.200113W175 M176 A213 Y214 K215 A219 V220 L221W175-Q217 HydrophobicContact CH2-CB 3.88Å; W175-Q217 HydrophobicContact CH2-CG 3.54Å; W175-Q217 HydrophobicContact CZ3-CB 3.97Å; W175-Q217 HydrophobicContact CZ3-CG 3.61Å; M176-Q217 HydrophobicContact CG-CG 4.32Å; M176-Q217 PolarHBondContact O-NE2 3.12Å; A213-Q217 WeakPolarHBondContact O-CB 3.32Å; A213-Q217 WeakPolarHBondContact O-CG 3.37Å; A213-Q217 PolarHBondContact O-N 2.81Å; Y214-Q217 CarbonylContact O-C 3.6Å; Y214-Q217 PolarHBondContact O-N 3.1Å; K215-Q217 PolarHBondContact O-N 3.41Å; Q217-A219 PolarHBondContact O-N 3.33Å; Q217-A219 VanDerWaalsContact O-N 3.15Å; Q217-V220 PolarHBondContact O-N 3.23Å; Q217-L221 HydrophobicContact CB-CD1 3.96Å; Q217-L221 HydrophobicContact CB-CG 3.89Å; Q217-L221 PolarHBondContact O-N 3.46Å
218N96.9Very high97.4Very high20 Ų2035.1 Ų35.111%0.10720%0.204CC..THydrogen-bonded Turntrans-60.4-24.3-177.6-172.861.4000114.2Y214 K215 V220 P222 E297 F298 Q345Y214-N218 PolarHBondContact O-N 3.45Å; Y214-N218 VanDerWaalsContact O-N 3.16Å; K215-N218 VanDerWaalsContact O-CB 3.25Å; K215-N218 WeakPolarHBondContact O-CB 3.45Å; K215-N218 PolarHBondContact O-N 3.25Å; N218-V220 PolarHBondContact O-N 3.39Å; N218-P222 WeakPolarHBondContact O-CD 3.48Å; N218-P222 WeakPolarHBondContact O-CG 3.33Å; N218-E297 VanDerWaalsContact OD1-CA 3.24Å; N218-E297 WeakPolarHBondContact OD1-CA 3.44Å; N218-F298 HydrophobicContact CB-CB 4.14Å; N218-F298 PolarHBondContact ND2-O 2.84Å; N218-F298 PolarHBondContact OD1-N 2.91Å; N218-Q345 PolarHBondContact O-NE2 2.75Å
219A95.4Very high97.4Very high58 Ų5836.4 Ų36.448%0.47921%0.209SC..THydrogen-bonded Turntrans-72.1-17.3175.400000113.3Q217 K223Q217-A219 PolarHBondContact O-N 3.33Å; Q217-A219 VanDerWaalsContact O-N 3.15Å; A219-K223 WeakPolarHBondContact O-CE 3.47Å; A219-K223 PolarHBondContact O-NZ 3.12Å
220V96.1Very high97.4Very high26 Ų2633.3 Ų33.316%0.15819%0.187CC..THydrogen-bonded Turntrans-112.9-63-172.41790000111.2T179 W184 Q217 N218 K223 L224T179-V220 HydrophobicContact CG2-CG2 4Å; W184-V220 HydrophobicContact CZ2-CG1 4.12Å; Q217-V220 PolarHBondContact O-N 3.23Å; N218-V220 PolarHBondContact O-N 3.39Å; V220-K223 WeakPolarHBondContact O-CB 3.38Å; V220-K223 PolarHBondContact O-N 2.94Å; V220-L224 HydrophobicContact CG1-CD1 3.71Å; V220-L224 HydrophobicContact CG1-CG 4.21Å
221L97.3Very high97.4Very high1 Ų133 Ų331%0.00519%0.186CC..Hα-helixtrans-56.2-44.4-166.1-56.7-178.8000114.7W175 M196 Y214 Q217 K223 L224 A225 N231W175-L221 HydrophobicContact CH2-CD2 3.87Å; W175-L221 HydrophobicContact CZ3-CD2 4.32Å; M196-L221 HydrophobicContact CE-CD2 3.32Å; M196-L221 HydrophobicContact CG-CD2 4.3Å; M196-L221 HydrophobicContact SD-CD2 4.29Å; Y214-L221 HydrophobicContact CD1-CD1 3.7Å; Y214-L221 HydrophobicContact CD2-CD1 3.95Å; Y214-L221 HydrophobicContact CE1-CD1 3.92Å; Y214-L221 HydrophobicContact CE2-CD1 4.17Å; Y214-L221 HydrophobicContact CG-CD1 3.7Å; Q217-L221 HydrophobicContact CB-CD1 3.96Å; Q217-L221 HydrophobicContact CB-CG 3.89Å; Q217-L221 PolarHBondContact O-N 3.46Å; L221-K223 PolarHBondContact O-N 2.9Å; L221-K223 VanDerWaalsContact O-N 3.17Å; L221-L224 HydrophobicContact CD2-CD1 4.47Å; L221-L224 WeakPolarHBondContact O-CB 3.48Å; L221-L224 PolarHBondContact O-N 3.35Å; L221-A225 PolarHBondContact O-N 3.2Å; L221-N231 PolarHBondContact O-ND2 2.99Å
222P97.4Very high97.4Very high9 Ų933.2 Ų33.26%0.05819%0.187CC..Hα-helixtrans-61.9-26-179.1-24.336.9000113.9N218 L224 Q295 E297N218-P222 WeakPolarHBondContact O-CD 3.48Å; N218-P222 WeakPolarHBondContact O-CG 3.33Å; P222-L224 VanDerWaalsContact C-N 3.32Å; P222-Q295 HydrophobicContact CB-CG 4.37Å; P222-Q295 HydrophobicContact CG-CG 4.4Å; P222-E297 HydrophobicContact CB-CG 3.76Å; P222-E297 HydrophobicContact CG-CG 3.78Å
223K96Very high97.4Very high129 Ų12930.6 Ų30.656%0.56117%0.173SC*.Hα-helixtrans-80.7-15.6176.8-61172.2-175153.80112.9A219 V220 L221A219-K223 WeakPolarHBondContact O-CE 3.47Å; A219-K223 PolarHBondContact O-NZ 3.12Å; V220-K223 WeakPolarHBondContact O-CB 3.38Å; V220-K223 PolarHBondContact O-N 2.94Å; L221-K223 PolarHBondContact O-N 2.9Å; L221-K223 VanDerWaalsContact O-N 3.17Å
224L96.5Very high97.5Very high14 Ų1430.2 Ų30.27%0.07317%0.169CC..Hα-helixtrans-92.9-36-177.7-59.6-178000112.6W184 Q188 W194 V220 L221 P222 H229W184-L224 HydrophobicContact CB-CD2 3.65Å; W184-L224 HydrophobicContact CD2-CD1 3.65Å; W184-L224 HydrophobicContact CD2-CD2 4.28Å; W184-L224 HydrophobicContact CE3-CD1 3.24Å; W184-L224 HydrophobicContact CE3-CD2 4.41Å; W184-L224 HydrophobicContact CE3-CG 4.44Å; W184-L224 HydrophobicContact CG-CD1 4.24Å; W184-L224 HydrophobicContact CG-CD2 3.98Å; W184-L224 HydrophobicContact CH2-CD1 4.36Å; W184-L224 HydrophobicContact CZ3-CD1 3.64Å; Q188-L224 PolarHBondContact NE2-O 2.73Å; W194-L224 HydrophobicContact CZ2-CB 4.14Å; V220-L224 HydrophobicContact CG1-CD1 3.71Å; V220-L224 HydrophobicContact CG1-CG 4.21Å; L221-L224 HydrophobicContact CD2-CD1 4.47Å; L221-L224 WeakPolarHBondContact O-CB 3.48Å; L221-L224 PolarHBondContact O-N 3.35Å; P222-L224 VanDerWaalsContact C-N 3.32Å; L224-H229 PolarHBondContact O-CE1 3.17Å; L224-H229 VanDerWaalsContact O-CE1 3.25Å; L224-H229 PolarHBondContact O-ND1 3.18Å
225A97.4Very high97.5Very high11 Ų1130.2 Ų30.29%0.09117%0.169CC..  trans-73.4143.418000000111.7L221 H229 Q295L221-A225 PolarHBondContact O-N 3.2Å; A225-H229 WeakPolarHBondContact CA-O 3.26Å; A225-Q295 HydrophobicContact CB-CB 3.74Å
226G97.3Very high97.6Very high6 Ų627.6 Ų27.66%0.06216%0.158CC..BIsolated β-bridgetrans171.4178174.500000112.1G228 H229 W230G226-G228 PolarHBondContact O-N 3.11Å; G226-H229 PolarHBondContact N-ND1 3.16Å; G226-H229 PolarHBondContact N-O 3.27Å; G226-H229 CarbonylContact O-C 3.5Å; G226-H229 PolarHBondContact O-N 3.35Å; G226-H229 VanDerWaalsContact O-O 3.12Å; G226-W230 WeakPolarHBondContact O-CZ2 3.46Å
227P97.9Very high97.6Very high70 Ų7021.3 Ų21.346%0.45513%0.125SC..THydrogen-bonded Turntrans-50.6112.4-178-30.637.7000113.3
228G97.9Very high97.6Very high15 Ų1520.1 Ų20.116%0.15512%0.12CC..THydrogen-bonded Turntrans95.5-2.3178.400000115.9M1 A2 N192 G226M1-G228 WeakPolarHBondContact O-CA 3.4Å; A2-G228 WeakPolarHBondContact O-CA 3.46Å; A2-G228 PolarHBondContact O-N 3.5Å; N192-G228 VanDerWaalsContact CA-O 3.24Å; N192-G228 WeakPolarHBondContact CA-O 3.36Å; N192-G228 PolarHBondContact ND2-O 2.93Å; N192-G228 VanDerWaalsContact ND2-O 3.1Å; G226-G228 PolarHBondContact O-N 3.11Å
229H98.3Very high97.6Very high49 Ų4919.8 Ų19.823%0.22712%0.121CC..BIsolated β-bridgetrans-153.3100.3-177.656.666.9000112.2Q188 N192 W194 L224 A225 G226Q188-H229 HydrophobicContact CG-CB 4.36Å; Q188-H229 PolarHBondContact NE2-CE1 2.9Å; N192-H229 CarbonylContact O-C 3.55Å; N192-H229 WeakPolarHBondContact O-CA 3.47Å; W194-H229 HydrophobicContact CH2-CB 3.6Å; W194-H229 HydrophobicContact CZ3-CB 3.66Å; L224-H229 PolarHBondContact O-CE1 3.17Å; L224-H229 VanDerWaalsContact O-CE1 3.25Å; L224-H229 PolarHBondContact O-ND1 3.18Å; A225-H229 WeakPolarHBondContact CA-O 3.26Å; G226-H229 PolarHBondContact N-ND1 3.16Å; G226-H229 PolarHBondContact N-O 3.27Å; G226-H229 CarbonylContact O-C 3.5Å; G226-H229 PolarHBondContact O-N 3.35Å; G226-H229 VanDerWaalsContact O-O 3.12Å
230W98.8Very high97.7Very high0 Ų017.8 Ų17.80%010%0.102CC..EExtended strand (participates in β ladder)trans-114.4140.6-168.7-51.199.3000113.9A2 V4 P5 N192 L193 W194 G226 S259 G293A2-W230 PolarHBondContact O-NE1 3.44Å; V4-W230 VanDerWaalsContact C-CZ2 3.44Å; V4-W230 VanDerWaalsContact CA-CZ2 3.42Å; V4-W230 PolarHBondContact O-NE1 3.19Å; P5-W230 HydrophobicContact CB-CD2 4.33Å; P5-W230 HydrophobicContact CG-CD2 3.88Å; P5-W230 HydrophobicContact CG-CE3 3.78Å; P5-W230 HydrophobicContact CG-CH2 4.07Å; P5-W230 HydrophobicContact CG-CZ2 4.16Å; P5-W230 HydrophobicContact CG-CZ3 3.89Å; N192-W230 PolarHBondContact O-N 2.84Å; L193-W230 CarbonylContact C-O 3.6Å; L193-W230 WeakPolarHBondContact CA-O 3.28Å; L193-W230 HydrophobicContact CB-CB 4.05Å; L193-W230 WeakPolarHBondContact CB-O 3.25Å; W194-W230 PolarHBondContact N-O 3.25Å; G226-W230 WeakPolarHBondContact O-CZ2 3.46Å; W230-S259 WeakPolarHBondContact CZ3-OG 3.32Å; W230-G293 WeakPolarHBondContact CZ3-O 3.29Å
231N98.7Very high97.7Very high1 Ų124 Ų241%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-72.2130165.4-63.4-56.5000109W194 M196 Y214 L221 P233 Q295W194-N231 PolarHBondContact NE1-OD1 3.15Å; M196-N231 HydrophobicContact CG-CB 4.14Å; Y214-N231 HydrophobicContact CE1-CB 4.22Å; L221-N231 PolarHBondContact O-ND2 2.99Å; N231-P233 WeakPolarHBondContact O-CD 3.42Å; N231-Q295 PolarHBondContact ND2-OE1 2.94Å
232D98.8Very high97.7Very high4 Ų425.2 Ų25.22%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-107.8107.1-179.7-172.2-0.7000110.4W194 R195 M196 D234 P261W194-D232 WeakPolarHBondContact O-CA 3.47Å; W194-D232 WeakPolarHBondContact O-CB 3.22Å; W194-D232 PolarHBondContact O-N 3.35Å; R195-D232 WeakPolarHBondContact CD-OD2 3.45Å; M196-D232 PolarHBondContact N-O 3.28Å; D232-D234 PolarHBondContact O-N 2.92Å; D232-D234 WeakPolarHBondContact OD1-CA 3.35Å; D232-D234 PolarHBondContact OD1-N 3.44Å; D232-P261 HydrophobicContact CB-CG 4.18Å
233P98.6Very high97.7Very high3 Ų325.5 Ų25.52%0.01914%0.141CC..  trans-81.211.7171.930.8-29.4000113.6I210 Y214 N231 W255 A260I210-P233 HydrophobicContact CG2-CB 3.67Å; Y214-P233 HydrophobicContact CE1-CB 4.49Å; Y214-P233 HydrophobicContact CE2-CB 3.87Å; Y214-P233 WeakPolarHBondContact OH-CD 3.41Å; Y214-P233 VanDerWaalsContact OH-N 3.14Å; N231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-W255 HydrophobicContact CB-CH2 4.37Å; P233-W255 HydrophobicContact CB-CZ2 3.81Å; P233-W255 HydrophobicContact CG-CD2 4.07Å; P233-W255 HydrophobicContact CG-CG 4.19Å; P233-W255 HydrophobicContact CG-CZ2 4.14Å; P233-W255 WeakPolarHBondContact O-CZ2 3.3Å; P233-A260 VanDerWaalsContact CD-CB 3.46Å; P233-A260 HydrophobicContact CG-CB 3.46Å; P233-A260 VanDerWaalsContact CG-CB 3.46Å
234D98.7Very high97.8Very high4 Ų421.8 Ų21.82%0.02113%0.132CC..  trans79.1179.7-179.9-151.56000114.5R195 D199 V200 D232 W255R195-D234 IonicContact CZ-OD1 2.76Å; R195-D234 IonicContact CZ-OD2 3.59Å; R195-D234 IonicContact NE-OD1 2.6Å; R195-D234 IonicContact NE-OD2 2.75Å; R195-D234 IonicContact NH1-OD1 2.7Å; R195-D234 PolarHBondContact NH1-OD1 3Å; R195-D234 IonicContact NH1-OD2 2.96Å; R195-D234 PolarHBondContact NH1-OD2 2.72Å; R195-D234 VanDerWaalsContact NH1-OD2 3.15Å; R195-D234 IonicContact NH2-OD2 3.29Å; R195-D234 PolarHBondContact NH2-OD2 3.14Å; D199-D234 WeakPolarHBondContact CA-OD2 3.42Å; V200-D234 HydrophobicContact CB-CB 3.96Å; V200-D234 HydrophobicContact CG1-CB 3.84Å; V200-D234 WeakPolarHBondContact CG1-OD2 3.32Å; V200-D234 PolarHBondContact N-OD2 3.26Å; D232-D234 PolarHBondContact O-N 2.92Å; D232-D234 WeakPolarHBondContact OD1-CA 3.35Å; D232-D234 PolarHBondContact OD1-N 3.44Å; D234-W255 PolarHBondContact O-NE1 3.42Å
235M98.8Very high97.8Very high1 Ų124.6 Ų24.61%0.00515%0.147CC..  trans-61.8155.9-168.5-64.8163.4-79.200115.9M10 W12 Q13 V200 Q251 L263 S265M10-M235 HydrophobicContact CB-CG 4.31Å; M10-M235 HydrophobicContact CB-SD 3.96Å; M10-M235 HydrophobicContact CG-SD 3.9Å; M10-M235 HydrophobicContact SD-CE 4.34Å; M10-M235 HydrophobicContact SD-CG 3.97Å; M10-M235 HydrophobicContact SD-SD 3.58Å; W12-M235 HydrophobicContact CB-CE 3.79Å; W12-M235 HydrophobicContact CB-SD 3.95Å; W12-M235 HydrophobicContact CG-CE 4.16Å; Q13-M235 HydrophobicContact CB-CE 3.73Å; Q13-M235 HydrophobicContact CB-SD 3.87Å; V200-M235 HydrophobicContact CG1-CB 4.3Å; M235-Q251 PolarHBondContact O-NE2 3.24Å; M235-L263 WeakPolarHBondContact CA-O 3.42Å; M235-L263 WeakPolarHBondContact CB-O 3.35Å; M235-L263 HydrophobicContact CG-CB 4.33Å; M235-S265 VanDerWaalsContact SD-CB 3.56Å
236L98.8Very high97.9Very high0 Ų026 Ų260%015%0.153CC..BIsolated β-bridgetrans-77.3136.1170.3-64.2176.2000111.2M238 Q251 M252 W255 L262 L263 I264 S265 L279L236-M238 HydrophobicContact CB-SD 3.71Å; L236-M238 HydrophobicContact CD2-CE 3.84Å; L236-M238 HydrophobicContact CD2-SD 4.08Å; L236-M238 HydrophobicContact CG-SD 4.37Å; L236-Q251 HydrophobicContact CD2-CG 4.33Å; L236-M252 HydrophobicContact CD1-SD 4.34Å; L236-W255 HydrophobicContact CD2-CB 4.12Å; L236-W255 HydrophobicContact CD2-CD2 4.48Å; L236-W255 HydrophobicContact CD2-CG 3.81Å; L236-L262 HydrophobicContact CD1-CB 3.92Å; L236-L262 HydrophobicContact CD1-CD2 4.15Å; L236-L262 HydrophobicContact CD2-CD2 4.45Å; L236-L263 PolarHBondContact N-O 3.03Å; L236-I264 HydrophobicContact CD1-CG1 4.34Å; L236-S265 PolarHBondContact O-N 2.94Å; L236-L279 HydrophobicContact CD1-CD2 3.79Å
237L98.5Very high97.9Very high2 Ų226.9 Ų26.91%0.0116%0.155CC..  trans-98.44.3-175.6-49.4-177.8000114.1Q13 V200 Q201 V207 G239 N240 L243Q13-L237 HydrophobicContact CG-CD2 3.64Å; V200-L237 HydrophobicContact CG1-CD2 3.85Å; V200-L237 HydrophobicContact CG2-CD1 3.94Å; V200-L237 HydrophobicContact CG2-CD2 3.86Å; V200-L237 HydrophobicContact CG2-CG 4.14Å; Q201-L237 WeakPolarHBondContact O-CD1 3.45Å; V207-L237 HydrophobicContact CG2-CD1 3.68Å; L237-G239 PolarHBondContact O-N 3.37Å; L237-N240 VanDerWaalsContact O-CB 3.3Å; L237-N240 WeakPolarHBondContact O-CB 3.31Å; L237-N240 PolarHBondContact O-N 3.16Å; L237-N240 VanDerWaalsContact O-N 3.11Å; L237-N240 PolarHBondContact O-ND2 3.33Å; L237-L243 HydrophobicContact CB-CD1 3.94Å; L237-L243 HydrophobicContact CB-CG 4.42Å; L237-L243 HydrophobicContact CD1-CD1 4.05Å; L237-L243 HydrophobicContact CD1-CD2 4.38Å; L237-L243 HydrophobicContact CD1-CG 4.22Å; L237-L243 HydrophobicContact CG-CD1 4.47Å
238M96Very high97.9Very high0 Ų024.4 Ų24.40%014%0.137CC..THydrogen-bonded Turntrans-61.7129.4-175.8-68.265.8165.800110.1L236 Q251 M252 A266 L279L236-M238 HydrophobicContact CB-SD 3.71Å; L236-M238 HydrophobicContact CD2-CE 3.84Å; L236-M238 HydrophobicContact CD2-SD 4.08Å; L236-M238 HydrophobicContact CG-SD 4.37Å; M238-Q251 HydrophobicContact CE-CB 3.86Å; M238-Q251 HydrophobicContact CE-CG 4.09Å; M238-Q251 PolarHBondContact SD-OE1 2.83Å; M238-M252 HydrophobicContact CE-CB 3.37Å; M238-M252 HydrophobicContact CE-CG 4.19Å; M238-M252 HydrophobicContact CE-SD 4.03Å; M238-A266 VanDerWaalsContact O-CB 3.25Å; M238-A266 WeakPolarHBondContact O-CB 3.16Å; M238-L279 HydrophobicContact CB-CD1 3.89Å; M238-L279 HydrophobicContact CB-CD2 4.22Å; M238-L279 HydrophobicContact CB-CG 4.08Å; M238-L279 HydrophobicContact CG-CD2 4.18Å; M238-L279 HydrophobicContact CG-CG 4.27Å
239G95.8Very high98Very high13 Ų1327.5 Ų27.513%0.13414%0.144CC..THydrogen-bonded Turntrans89.30.9-175.400000115.2L237 S275L237-G239 PolarHBondContact O-N 3.37Å; G239-S275 PolarHBondContact N-OG 2.93Å
240N97.4Very high98Very high16 Ų1625.2 Ų25.29%0.08613%0.134CC..SBendtrans-95.1-149.6173-55.3-32.3000110.5Q13 R14 D202 L237 S265 A266Q13-N240 PolarHBondContact OE1-ND2 3.38Å; Q13-N240 VanDerWaalsContact OE1-ND2 3.15Å; R14-N240 WeakPolarHBondContact CD-OD1 3.33Å; D202-N240 WeakPolarHBondContact OD2-CB 3.48Å; L237-N240 VanDerWaalsContact O-CB 3.3Å; L237-N240 WeakPolarHBondContact O-CB 3.31Å; L237-N240 PolarHBondContact O-N 3.16Å; L237-N240 VanDerWaalsContact O-N 3.11Å; L237-N240 PolarHBondContact O-ND2 3.33Å; N240-S265 PolarHBondContact ND2-O 2.82Å; N240-S265 PolarHBondContact OD1-O 2.78Å; N240-A266 WeakPolarHBondContact OD1-CA 3.22Å
241F97.2Very high98Very high155 Ų15525.2 Ų25.268%0.6813%0.134SC*.SBendtrans-117-26.8-161.3-45.6-73.4000114.1D202D202-F241 WeakPolarHBondContact OD2-CA 3.31Å; D202-F241 WeakPolarHBondContact OD2-CB 3.43Å; D202-F241 VanDerWaalsContact OD2-CD2 3.32Å; D202-F241 WeakPolarHBondContact OD2-CD2 3.33Å; D202-F241 PolarHBondContact OD2-N 3Å
242G97.1Very high98Very high28 Ų2825.1 Ų25.129%0.28913%0.133SC..SBendtrans-91.7-3.4-162.100000116.9D202D202-G242 WeakPolarHBondContact O-CA 3.44Å; D202-G242 WeakPolarHBondContact OD1-CA 3.15Å; D202-G242 PolarHBondContact OD1-N 3.12Å; D202-G242 PolarHBondContact OD2-N 3.37Å
243L98Very high98Very high14 Ų1425 Ų257%0.07313%0.132CC..  trans-118.1134.6-176.5-58.3-171.4000112.2W204 V207 L237 Q247 K248 Q251W204-L243 HydrophobicContact CB-CD2 4.43Å; V207-L243 HydrophobicContact CG2-CD1 4.2Å; V207-L243 HydrophobicContact CG2-CD2 4.02Å; L237-L243 HydrophobicContact CB-CD1 3.94Å; L237-L243 HydrophobicContact CB-CG 4.42Å; L237-L243 HydrophobicContact CD1-CD1 4.05Å; L237-L243 HydrophobicContact CD1-CD2 4.38Å; L237-L243 HydrophobicContact CD1-CG 4.22Å; L237-L243 HydrophobicContact CG-CD1 4.47Å; L243-Q247 HydrophobicContact CB-CB 4.03Å; L243-Q247 HydrophobicContact CD2-CB 4.17Å; L243-K248 HydrophobicContact CB-CG 3.82Å; L243-K248 HydrophobicContact CD1-CG 4.33Å; L243-K248 WeakPolarHBondContact O-CE 3.4Å; L243-Q251 HydrophobicContact CD1-CB 4.37Å
244S97.4Very high98Very high51 Ų5124.8 Ų24.836%0.35713%0.131SC..  trans-68.2168163.577.10000111.4D246 Q247 K248S244-D246 VanDerWaalsContact C-N 3.34Å; S244-D246 PolarHBondContact O-N 2.97Å; S244-Q247 PolarHBondContact O-N 3.23Å; S244-Q247 VanDerWaalsContact O-N 3.13Å; S244-Q247 VanDerWaalsContact OG-CG 3.28Å; S244-Q247 WeakPolarHBondContact OG-CG 3.32Å; S244-Q247 PolarHBondContact OG-N 3.06Å; S244-K248 WeakPolarHBondContact O-CG 3.39Å; S244-K248 PolarHBondContact O-N 2.74Å
245D97.5Very high98Very high74 Ų7424.6 Ų24.640%0.39613%0.13SC..Hα-helixtrans-62.6-38178.8-76.1-4.6000113.1K248 R249 F274D245-K248 PolarHBondContact O-N 3.42Å; D245-K248 IonicContact OD1-NZ 3.47Å; D245-K248 PolarHBondContact OD1-NZ 3.12Å; D245-R249 PolarHBondContact O-N 2.77Å; D245-F274 HydrophobicContact CB-CD1 3.76Å; D245-F274 HydrophobicContact CB-CD2 4.33Å; D245-F274 HydrophobicContact CB-CE1 3.44Å; D245-F274 VanDerWaalsContact CB-CE1 3.44Å; D245-F274 HydrophobicContact CB-CE2 4.05Å; D245-F274 HydrophobicContact CB-CG 4.18Å; D245-F274 HydrophobicContact CB-CZ 3.58Å; D245-F274 VanDerWaalsContact CG-CD1 3.41Å; D245-F274 WeakPolarHBondContact O-CE1 3.43Å; D245-F274 WeakPolarHBondContact O-CZ 3.47Å; D245-F274 VanDerWaalsContact OD1-CD1 3.28Å; D245-F274 WeakPolarHBondContact OD1-CD1 3.38Å
246D97.7Very high98Very high39 Ų3924.6 Ų24.621%0.20913%0.13CC..Hα-helixtrans-65.5-39.4173-82.1-47.5000111.4S244 R249 V250 N379 S381S244-D246 VanDerWaalsContact C-N 3.34Å; S244-D246 PolarHBondContact O-N 2.97Å; D246-R249 WeakPolarHBondContact O-CB 3.48Å; D246-R249 PolarHBondContact O-N 2.83Å; D246-R249 IonicContact OD1-NH1 3.15Å; D246-V250 WeakPolarHBondContact O-CG2 3.02Å; D246-V250 PolarHBondContact O-N 3.37Å; D246-N379 WeakPolarHBondContact OD2-CB 3.49Å; D246-N379 PolarHBondContact OD2-ND2 3.37Å; D246-S381 CarbonylContact C-O 3.55Å
247Q98.2Very high98Very high25 Ų2524.6 Ų24.612%0.11713%0.13CC..Hα-helixtrans-69.7-34.5177.4-66.5165.7-5.900112.7W204 L243 S244 R249 V250 Q251 S381W204-Q247 HydrophobicContact CD2-CG 3.79Å; W204-Q247 HydrophobicContact CE3-CB 3.82Å; W204-Q247 HydrophobicContact CE3-CG 3.53Å; W204-Q247 HydrophobicContact CG-CG 4.23Å; W204-Q247 HydrophobicContact CZ3-CB 4.17Å; W204-Q247 HydrophobicContact CZ3-CG 3.98Å; L243-Q247 HydrophobicContact CB-CB 4.03Å; L243-Q247 HydrophobicContact CD2-CB 4.17Å; S244-Q247 PolarHBondContact O-N 3.23Å; S244-Q247 VanDerWaalsContact O-N 3.13Å; S244-Q247 VanDerWaalsContact OG-CG 3.28Å; S244-Q247 WeakPolarHBondContact OG-CG 3.32Å; S244-Q247 PolarHBondContact OG-N 3.06Å; Q247-R249 VanDerWaalsContact C-N 3.33Å; Q247-V250 WeakPolarHBondContact O-CB 3.25Å; Q247-V250 PolarHBondContact O-N 3.07Å; Q247-Q251 PolarHBondContact O-N 3.43Å; Q247-S381 PolarHBondContact NE2-OG 2.9Å
248K98.6Very high98Very high19 Ų1924.5 Ų24.58%0.08313%0.13CC..Hα-helixtrans-62.4-40.5170.3-68.6170-165.3161.70111L243 S244 D245 V250 Q251 M252 D272 F274 L278L243-K248 HydrophobicContact CB-CG 3.82Å; L243-K248 HydrophobicContact CD1-CG 4.33Å; L243-K248 WeakPolarHBondContact O-CE 3.4Å; S244-K248 WeakPolarHBondContact O-CG 3.39Å; S244-K248 PolarHBondContact O-N 2.74Å; D245-K248 PolarHBondContact O-N 3.42Å; D245-K248 IonicContact OD1-NZ 3.47Å; D245-K248 PolarHBondContact OD1-NZ 3.12Å; K248-V250 VanDerWaalsContact C-N 3.34Å; K248-Q251 PolarHBondContact O-N 2.83Å; K248-M252 PolarHBondContact O-N 2.87Å; K248-D272 IonicContact NZ-OD1 3.2Å; K248-D272 IonicContact NZ-OD2 2.84Å; K248-F274 HydrophobicContact CB-CE1 4.13Å; K248-F274 HydrophobicContact CD-CD1 3.94Å; K248-F274 HydrophobicContact CD-CE1 4.3Å; K248-L278 HydrophobicContact CB-CD1 3.82Å
249R98.2Very high98.1Very high80 Ų8024.5 Ų24.530%0.30213%0.13SC..Hα-helixtrans-60.6-44172.1-76.5174.4174.3169.2-2.5111.3D245 D246 Q247 M252 G253 F274 L278 F360 I383D245-R249 PolarHBondContact O-N 2.77Å; D246-R249 WeakPolarHBondContact O-CB 3.48Å; D246-R249 PolarHBondContact O-N 2.83Å; D246-R249 IonicContact OD1-NH1 3.15Å; Q247-R249 VanDerWaalsContact C-N 3.33Å; R249-M252 PolarHBondContact O-N 3.4Å; R249-G253 PolarHBondContact O-N 3.03Å; R249-F274 HydrophobicContact CG-CE1 4.31Å; R249-F274 HydrophobicContact CG-CZ 3.85Å; R249-L278 HydrophobicContact CG-CD1 4.06Å; R249-L278 HydrophobicContact CG-CD2 3.86Å; R249-F360 HydrophobicContact CB-CE1 3.92Å; R249-F360 HydrophobicContact CB-CZ 4.09Å; R249-F360 HydrophobicContact CG-CD1 4.09Å; R249-F360 HydrophobicContact CG-CE1 3.92Å; R249-F360 HydrophobicContact CG-CZ 4.46Å; R249-I383 VanDerWaalsContact C-CG2 3.5Å; R249-I383 HydrophobicContact CB-CG2 3.88Å
250V98.8Very high98.3Very high0 Ų023.9 Ų23.90%012%0.123CC..Hα-helixtrans-56.7-52.2175.8175.10000111W204 I211 D246 Q247 K248 G253 M254 L324 S381 I383W204-V250 HydrophobicContact CH2-CB 4.23Å; W204-V250 HydrophobicContact CH2-CG1 3.87Å; W204-V250 HydrophobicContact CH2-CG2 4.12Å; W204-V250 HydrophobicContact CZ3-CB 3.97Å; W204-V250 HydrophobicContact CZ3-CG1 3.8Å; W204-V250 HydrophobicContact CZ3-CG2 4.25Å; I211-V250 HydrophobicContact CD1-CG1 3.56Å; D246-V250 WeakPolarHBondContact O-CG2 3.02Å; D246-V250 PolarHBondContact O-N 3.37Å; Q247-V250 WeakPolarHBondContact O-CB 3.25Å; Q247-V250 PolarHBondContact O-N 3.07Å; K248-V250 VanDerWaalsContact C-N 3.34Å; V250-G253 PolarHBondContact O-N 3.02Å; V250-M254 HydrophobicContact CG1-CG 4.17Å; V250-M254 WeakPolarHBondContact O-CB 3.29Å; V250-M254 WeakPolarHBondContact O-CG 3.45Å; V250-M254 PolarHBondContact O-N 2.94Å; V250-L324 HydrophobicContact CB-CD1 4.19Å; V250-L324 HydrophobicContact CG1-CD1 3.57Å; V250-L324 HydrophobicContact CG1-CD2 4.19Å; V250-L324 HydrophobicContact CG2-CD1 3.48Å; V250-L324 VanDerWaalsContact CG2-CD1 3.48Å; V250-S381 WeakPolarHBondContact CG2-O 3.15Å; V250-I383 HydrophobicContact CB-CG2 4.42Å; V250-I383 HydrophobicContact CG2-CB 3.98Å; V250-I383 HydrophobicContact CG2-CG2 4.01Å
251Q98.8Very high98.3Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-60.8-51.3-178.2-169.2-175.12200111V207 M235 L236 M238 L243 Q247 K248 G253 M254 W255V207-Q251 HydrophobicContact CG1-CB 4.06Å; V207-Q251 HydrophobicContact CG1-CG 4.27Å; V207-Q251 HydrophobicContact CG2-CG 4.45Å; M235-Q251 PolarHBondContact O-NE2 3.24Å; L236-Q251 HydrophobicContact CD2-CG 4.33Å; M238-Q251 HydrophobicContact CE-CB 3.86Å; M238-Q251 HydrophobicContact CE-CG 4.09Å; M238-Q251 PolarHBondContact SD-OE1 2.83Å; L243-Q251 HydrophobicContact CD1-CB 4.37Å; Q247-Q251 PolarHBondContact O-N 3.43Å; K248-Q251 PolarHBondContact O-N 2.83Å; Q251-G253 VanDerWaalsContact C-N 3.32Å; Q251-G253 PolarHBondContact O-N 3.07Å; Q251-M254 PolarHBondContact O-N 2.81Å; Q251-W255 HydrophobicContact CG-CD2 3.88Å; Q251-W255 HydrophobicContact CG-CE3 3.65Å; Q251-W255 HydrophobicContact CG-CH2 4.04Å; Q251-W255 HydrophobicContact CG-CZ2 4.23Å; Q251-W255 HydrophobicContact CG-CZ3 3.74Å; Q251-W255 WeakPolarHBondContact O-CB 3.44Å; Q251-W255 PolarHBondContact O-N 3.35Å
252M98.8Very high98.4Very high0 Ų015.7 Ų15.70%09%0.087CC..Hα-helixtrans-59.3-48-178.4-17058.1-177.300110.7L236 M238 K248 R249 C256 L262 L278 L279 L284 L285L236-M252 HydrophobicContact CD1-SD 4.34Å; M238-M252 HydrophobicContact CE-CB 3.37Å; M238-M252 HydrophobicContact CE-CG 4.19Å; M238-M252 HydrophobicContact CE-SD 4.03Å; K248-M252 PolarHBondContact O-N 2.87Å; R249-M252 PolarHBondContact O-N 3.4Å; M252-C256 WeakPolarHBondContact O-CB 3.46Å; M252-C256 PolarHBondContact O-N 2.95Å; M252-C256 PolarHBondContact O-SG 3.44Å; M252-L262 HydrophobicContact CE-CD1 4.05Å; M252-L278 HydrophobicContact CG-CB 4.37Å; M252-L279 HydrophobicContact SD-CD2 4.28Å; M252-L284 HydrophobicContact CB-CD1 4.45Å; M252-L284 HydrophobicContact CE-CB 4.16Å; M252-L284 HydrophobicContact CG-CD1 3.6Å; M252-L284 HydrophobicContact CG-CD2 4.41Å; M252-L284 HydrophobicContact CG-CG 4.42Å; M252-L285 HydrophobicContact CE-CD2 3.99Å
253G98.8Very high98.5Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-62.4-47.6-177.500000112.7R249 V250 Q251 C256 M257 M385R249-G253 PolarHBondContact O-N 3.03Å; V250-G253 PolarHBondContact O-N 3.02Å; Q251-G253 VanDerWaalsContact C-N 3.32Å; Q251-G253 PolarHBondContact O-N 3.07Å; G253-C256 PolarHBondContact O-N 3.02Å; G253-M257 WeakPolarHBondContact O-CB 3.45Å; G253-M257 VanDerWaalsContact O-CG 3.26Å; G253-M257 WeakPolarHBondContact O-CG 3.49Å; G253-M257 PolarHBondContact O-N 3.24Å; G253-M385 WeakPolarHBondContact CA-SD 3.47Å
254M98.9Very high98.5Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-71.1-36.6-179.4-68.1-52.3-55.400112.6I211 V250 Q251 M257 F258 W308 A322 L324 I383I211-M254 HydrophobicContact CD1-CB 4.04Å; I211-M254 HydrophobicContact CD1-CG 3.83Å; I211-M254 HydrophobicContact CG1-CB 4.1Å; I211-M254 HydrophobicContact CG1-CG 4.2Å; I211-M254 HydrophobicContact CG2-CE 4.34Å; V250-M254 HydrophobicContact CG1-CG 4.17Å; V250-M254 WeakPolarHBondContact O-CB 3.29Å; V250-M254 WeakPolarHBondContact O-CG 3.45Å; V250-M254 PolarHBondContact O-N 2.94Å; Q251-M254 PolarHBondContact O-N 2.81Å; M254-M257 HydrophobicContact CE-CB 4.48Å; M254-M257 CarbonylContact O-C 2.87Å; M254-M257 PolarHBondContact O-N 3.06Å; M254-M257 VanDerWaalsContact O-N 3.13Å; M254-F258 HydrophobicContact CB-CE2 4.06Å; M254-F258 HydrophobicContact CB-CZ 4.31Å; M254-F258 HydrophobicContact CE-CD1 4.39Å; M254-F258 HydrophobicContact CE-CE1 3.47Å; M254-F258 VanDerWaalsContact CE-CE1 3.47Å; M254-F258 HydrophobicContact CE-CE2 4.2Å; M254-F258 HydrophobicContact CE-CZ 3.36Å; M254-F258 WeakPolarHBondContact O-CB 3.34Å; M254-F258 WeakPolarHBondContact O-CD2 3.44Å; M254-F258 WeakPolarHBondContact O-CG 3.1Å; M254-F258 PolarHBondContact O-N 2.96Å; M254-W308 HydrophobicContact CE-CD2 3.67Å; M254-W308 HydrophobicContact CE-CE3 4.22Å; M254-W308 HydrophobicContact CE-CG 3.87Å; M254-W308 HydrophobicContact CE-CZ2 3.99Å; M254-A322 HydrophobicContact SD-CB 4.45Å; M254-L324 HydrophobicContact CG-CD2 4.43Å; M254-I383 HydrophobicContact CG-CD1 3.95Å; M254-I383 HydrophobicContact SD-CD1 3.65Å
255W98.8Very high98.6Very high0 Ų011.4 Ų11.40%05%0.053CC..Hα-helixtrans-62.8-44.4173.5-90.7-124.5000110.8V207 I210 I211 P233 D234 L236 Q251 M257 F258 S259 A260 L262V207-W255 HydrophobicContact CG1-CH2 4.38Å; V207-W255 HydrophobicContact CG1-CZ3 4.16Å; I210-W255 HydrophobicContact CB-CH2 4.26Å; I210-W255 HydrophobicContact CD1-CH2 4.34Å; I210-W255 HydrophobicContact CG2-CH2 3.76Å; I210-W255 HydrophobicContact CG2-CZ2 4.25Å; I210-W255 HydrophobicContact CG2-CZ3 4.47Å; I211-W255 HydrophobicContact CD1-CZ3 4.39Å; I211-W255 HydrophobicContact CG1-CZ3 4.11Å; P233-W255 HydrophobicContact CB-CH2 4.37Å; P233-W255 HydrophobicContact CB-CZ2 3.81Å; P233-W255 HydrophobicContact CG-CD2 4.07Å; P233-W255 HydrophobicContact CG-CG 4.19Å; P233-W255 HydrophobicContact CG-CZ2 4.14Å; P233-W255 WeakPolarHBondContact O-CZ2 3.3Å; D234-W255 PolarHBondContact O-NE1 3.42Å; L236-W255 HydrophobicContact CD2-CB 4.12Å; L236-W255 HydrophobicContact CD2-CD2 4.48Å; L236-W255 HydrophobicContact CD2-CG 3.81Å; Q251-W255 HydrophobicContact CG-CD2 3.88Å; Q251-W255 HydrophobicContact CG-CE3 3.65Å; Q251-W255 HydrophobicContact CG-CH2 4.04Å; Q251-W255 HydrophobicContact CG-CZ2 4.23Å; Q251-W255 HydrophobicContact CG-CZ3 3.74Å; Q251-W255 WeakPolarHBondContact O-CB 3.44Å; Q251-W255 PolarHBondContact O-N 3.35Å; W255-M257 VanDerWaalsContact C-N 3.3Å; W255-M257 PolarHBondContact O-N 3.15Å; W255-F258 PolarHBondContact O-N 3.19Å; W255-F258 VanDerWaalsContact O-N 3.12Å; W255-S259 PolarHBondContact O-N 2.66Å; W255-A260 HydrophobicContact CB-CB 4.1Å; W255-A260 HydrophobicContact CG-CB 4.1Å; W255-A260 WeakPolarHBondContact O-CB 3.33Å; W255-A260 PolarHBondContact O-N 3.26Å; W255-A260 VanDerWaalsContact O-N 3.11Å; W255-L262 HydrophobicContact CB-CD2 4.07Å
256C98.8Very high98.6Very high0 Ų07.9 Ų7.90%04%0.035CC..Hα-helixtrans-62.1-37.1172.6-64.70000111.4M252 G253 F258 S259 L284 I287 D288 R310M252-C256 WeakPolarHBondContact O-CB 3.46Å; M252-C256 PolarHBondContact O-N 2.95Å; M252-C256 PolarHBondContact O-SG 3.44Å; G253-C256 PolarHBondContact O-N 3.02Å; C256-F258 VanDerWaalsContact C-N 3.33Å; C256-S259 PolarHBondContact O-N 3.19Å; C256-L284 HydrophobicContact CB-CD2 4.39Å; C256-I287 HydrophobicContact CB-CG2 4.31Å; C256-D288 HydrophobicContact CB-CB 4.13Å; C256-R310 PolarHBondContact O-NH1 3.48Å
257M98.8Very high98.6Very high0 Ų06.5 Ų6.50%03%0.027CC..Hα-helixtrans-68.4-33174.9-73.7-65.5-75.800111.9G253 M254 W255 S259 A296 W308 R310 A320 A322 M385G253-M257 WeakPolarHBondContact O-CB 3.45Å; G253-M257 VanDerWaalsContact O-CG 3.26Å; G253-M257 WeakPolarHBondContact O-CG 3.49Å; G253-M257 PolarHBondContact O-N 3.24Å; M254-M257 HydrophobicContact CE-CB 4.48Å; M254-M257 CarbonylContact O-C 2.87Å; M254-M257 PolarHBondContact O-N 3.06Å; M254-M257 VanDerWaalsContact O-N 3.13Å; W255-M257 VanDerWaalsContact C-N 3.3Å; W255-M257 PolarHBondContact O-N 3.15Å; M257-S259 VanDerWaalsContact C-N 3.25Å; M257-S259 PolarHBondContact O-N 3.43Å; M257-A296 HydrophobicContact CB-CB 3.83Å; M257-A296 HydrophobicContact CE-CB 3.83Å; M257-A296 WeakPolarHBondContact O-CA 3.44Å; M257-A296 WeakPolarHBondContact O-CB 3.15Å; M257-A296 PolarHBondContact O-N 3.13Å; M257-W308 HydrophobicContact CE-CB 4.04Å; M257-R310 HydrophobicContact CE-CB 3.81Å; M257-R310 WeakPolarHBondContact O-CD 3.17Å; M257-R310 HydrophobicContact SD-CB 4.08Å; M257-A320 HydrophobicContact CE-CB 4.4Å; M257-A320 HydrophobicContact SD-CB 3.66Å; M257-A322 HydrophobicContact CE-CB 4.1Å; M257-A322 HydrophobicContact CG-CB 4.18Å; M257-M385 HydrophobicContact CG-CE 3.63Å; M257-M385 HydrophobicContact SD-CE 3.85Å
258F98.7Very high98.6Very high0 Ų05.5 Ų5.50%02%0.023CC..Hα-helixtrans-78.2-6.7179.2-60.9-30.3000114.3I211 Y214 M254 W255 C256 A260 Q295 W308I211-F258 HydrophobicContact CG1-CE2 4.23Å; I211-F258 HydrophobicContact CG2-CZ 4.39Å; Y214-F258 HydrophobicContact CD1-CB 4.33Å; Y214-F258 AromaticContact CD1-CD1 3.91Å; Y214-F258 HydrophobicContact CD1-CD1 3.91Å; Y214-F258 AromaticContact CD1-CD2 3.69Å; Y214-F258 HydrophobicContact CD1-CD2 3.69Å; Y214-F258 HydrophobicContact CD1-CE1 4.08Å; Y214-F258 AromaticContact CD1-CE2 3.87Å; Y214-F258 HydrophobicContact CD1-CE2 3.87Å; Y214-F258 AromaticContact CD1-CG 3.71Å; Y214-F258 HydrophobicContact CD1-CG 3.71Å; Y214-F258 HydrophobicContact CD1-CZ 4.06Å; Y214-F258 HydrophobicContact CE1-CB 4.18Å; Y214-F258 AromaticContact CE1-CD2 4Å; Y214-F258 HydrophobicContact CE1-CD2 4Å; Y214-F258 HydrophobicContact CE1-CG 4.02Å; Y214-F258 HydrophobicContact CG-CD2 4.24Å; Y214-F258 HydrophobicContact CG-CE1 4.48Å; Y214-F258 AromaticContact CG-CE2 3.98Å; Y214-F258 HydrophobicContact CG-CE2 3.98Å; Y214-F258 HydrophobicContact CG-CZ 4.1Å; M254-F258 HydrophobicContact CB-CE2 4.06Å; M254-F258 HydrophobicContact CB-CZ 4.31Å; M254-F258 HydrophobicContact CE-CD1 4.39Å; M254-F258 HydrophobicContact CE-CE1 3.47Å; M254-F258 VanDerWaalsContact CE-CE1 3.47Å; M254-F258 HydrophobicContact CE-CE2 4.2Å; M254-F258 HydrophobicContact CE-CZ 3.36Å; M254-F258 WeakPolarHBondContact O-CB 3.34Å; M254-F258 WeakPolarHBondContact O-CD2 3.44Å; M254-F258 WeakPolarHBondContact O-CG 3.1Å; M254-F258 PolarHBondContact O-N 2.96Å; W255-F258 PolarHBondContact O-N 3.19Å; W255-F258 VanDerWaalsContact O-N 3.12Å; C256-F258 VanDerWaalsContact C-N 3.33Å; F258-A260 HydrophobicContact CB-CB 4.35Å; F258-A260 PolarHBondContact O-N 3.01Å; F258-Q295 WeakPolarHBondContact O-CB 3.42Å; F258-Q295 WeakPolarHBondContact O-CG 3Å; F258-Q295 PolarHBondContact O-OE1 3.43Å; F258-W308 HydrophobicContact CE1-CE3 4.01Å; F258-W308 AromaticContact CE1-CH2 3.81Å; F258-W308 HydrophobicContact CE1-CH2 3.81Å; F258-W308 HydrophobicContact CE1-CZ2 4.43Å; F258-W308 AromaticContact CE1-CZ3 3.59Å; F258-W308 HydrophobicContact CE1-CZ3 3.59Å; F258-W308 HydrophobicContact CZ-CH2 4.03Å; F258-W308 HydrophobicContact CZ-CZ2 4.4Å; F258-W308 HydrophobicContact CZ-CZ3 4.29Å
259S98.2Very high98.6Very high0 Ų08.6 Ų8.60%04%0.04CC..THydrogen-bonded Turntrans56.641.8-169.2-153.30000111P5 W230 W255 C256 M257 R310P5-S259 WeakPolarHBondContact CG-O 3.46Å; P5-S259 WeakPolarHBondContact CG-OG 3.17Å; W230-S259 WeakPolarHBondContact CZ3-OG 3.32Å; W255-S259 PolarHBondContact O-N 2.66Å; C256-S259 PolarHBondContact O-N 3.19Å; M257-S259 VanDerWaalsContact C-N 3.25Å; M257-S259 PolarHBondContact O-N 3.43Å; S259-R310 VanDerWaalsContact CA-NH1 3.32Å; S259-R310 VanDerWaalsContact CB-NH1 3.35Å; S259-R310 PolarHBondContact OG-NH2 2.84Å
260A98.7Very high98.5Very high0 Ų011.7 Ų11.70%06%0.056CC..  trans-81.2155-175.700000111.6P5 P233 W255 F258 L262 D288P5-A260 VanDerWaalsContact CB-O 3.24Å; P5-A260 WeakPolarHBondContact CB-O 3.03Å; P233-A260 VanDerWaalsContact CD-CB 3.46Å; P233-A260 HydrophobicContact CG-CB 3.46Å; P233-A260 VanDerWaalsContact CG-CB 3.46Å; W255-A260 HydrophobicContact CB-CB 4.1Å; W255-A260 HydrophobicContact CG-CB 4.1Å; W255-A260 WeakPolarHBondContact O-CB 3.33Å; W255-A260 PolarHBondContact O-N 3.26Å; W255-A260 VanDerWaalsContact O-N 3.11Å; F258-A260 HydrophobicContact CB-CB 4.35Å; F258-A260 PolarHBondContact O-N 3.01Å; A260-L262 PolarHBondContact O-N 2.96Å; A260-D288 VanDerWaalsContact O-OD2 3.07Å
261P98.7Very high98.4Very high0 Ų012.9 Ų12.90%06%0.062CC..  trans-55.1131.6163.4-20.132000110.8P6 L193 D232 L263P6-P261 CarbonylContact O-C 3.51Å; P6-P261 VanDerWaalsContact O-CA 3.26Å; P6-P261 WeakPolarHBondContact O-CA 3.2Å; L193-P261 HydrophobicContact CD1-CB 4.16Å; L193-P261 HydrophobicContact CD1-CG 3.48Å; L193-P261 VanDerWaalsContact CD1-CG 3.48Å; D232-P261 HydrophobicContact CB-CG 4.18Å; P261-L263 HydrophobicContact CB-CD1 4.25Å; P261-L263 HydrophobicContact CB-CG 4.01Å; P261-L263 PolarHBondContact O-N 3.36Å
262L98.9Very high98.3Very high0 Ų015.3 Ų15.30%08%0.075CC..EExtended strand (participates in β ladder)trans-96.377.8174.9-56.9-176.1000109.5P6 M7 G8 Y51 L236 M252 W255 A260 L285 D288P6-L262 PolarHBondContact O-N 2.98Å; M7-L262 WeakPolarHBondContact CA-O 3.46Å; M7-L262 HydrophobicContact CB-CB 4.49Å; M7-L262 HydrophobicContact CE-CD1 4.24Å; M7-L262 HydrophobicContact CG-CB 4.08Å; M7-L262 HydrophobicContact CG-CD1 4.39Å; M7-L262 HydrophobicContact CG-CG 4.48Å; G8-L262 PolarHBondContact N-O 2.03Å; Y51-L262 HydrophobicContact CE1-CB 4.13Å; L236-L262 HydrophobicContact CD1-CB 3.92Å; L236-L262 HydrophobicContact CD1-CD2 4.15Å; L236-L262 HydrophobicContact CD2-CD2 4.45Å; M252-L262 HydrophobicContact CE-CD1 4.05Å; W255-L262 HydrophobicContact CB-CD2 4.07Å; A260-L262 PolarHBondContact O-N 2.96Å; L262-L285 HydrophobicContact CD1-CD2 3.73Å; L262-D288 HydrophobicContact CD1-CB 3.9Å; L262-D288 WeakPolarHBondContact CD1-OD1 3.44Å; L262-D288 HydrophobicContact CG-CB 4.49Å; L262-D288 WeakPolarHBondContact CG-OD1 3.29Å
263L98.8Very high98.2Very high3 Ų322.2 Ų22.22%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-99.2103.4179.9-59.4-179.6000110.2G8 M10 I55 M235 L236 P261G8-L263 WeakPolarHBondContact O-CA 3.21Å; M10-L263 HydrophobicContact CE-CD1 3.84Å; I55-L263 HydrophobicContact CD1-CD1 3.98Å; I55-L263 HydrophobicContact CD1-CD2 3.82Å; M235-L263 WeakPolarHBondContact CA-O 3.42Å; M235-L263 WeakPolarHBondContact CB-O 3.35Å; M235-L263 HydrophobicContact CG-CB 4.33Å; L236-L263 PolarHBondContact N-O 3.03Å; P261-L263 HydrophobicContact CB-CD1 4.25Å; P261-L263 HydrophobicContact CB-CG 4.01Å; P261-L263 PolarHBondContact O-N 3.36Å
264I98.8Very high98.2Very high0 Ų024.2 Ų24.20%012%0.121CC..EExtended strand (participates in β ladder)trans-69.1133.1175.9-59.3165.8000109.1G8 W9 M10 Y51 L236 A266 M268 L279G8-I264 PolarHBondContact O-N 3.33Å; W9-I264 CarbonylContact C-O 3.52Å; W9-I264 WeakPolarHBondContact CA-O 3.41Å; W9-I264 VanDerWaalsContact CD1-O 3.28Å; M10-I264 PolarHBondContact N-O 3.37Å; Y51-I264 HydrophobicContact CD1-CD1 3.61Å; Y51-I264 HydrophobicContact CD1-CG1 4.13Å; Y51-I264 HydrophobicContact CE1-CD1 3.49Å; Y51-I264 VanDerWaalsContact CE1-CD1 3.49Å; Y51-I264 HydrophobicContact CE1-CG1 3.81Å; Y51-I264 HydrophobicContact CE2-CD1 4.5Å; Y51-I264 HydrophobicContact CG-CD1 4.19Å; L236-I264 HydrophobicContact CD1-CG1 4.34Å; I264-A266 HydrophobicContact CG2-CB 4Å; I264-M268 HydrophobicContact CG2-SD 4Å; I264-L279 HydrophobicContact CD1-CD1 3.88Å; I264-L279 HydrophobicContact CD1-CD2 4.09Å; I264-L279 HydrophobicContact CD1-CG 4.46Å; I264-L279 HydrophobicContact CG1-CD1 4.2Å; I264-L279 HydrophobicContact CG1-CD2 3.9Å
265S98.7Very high98.2Very high0 Ų024.2 Ų24.20%012%0.121CC..  trans-128.392165.5-167.60000109.3M10 Q13 R14 M235 L236 N240M10-S265 WeakPolarHBondContact O-CA 3.41Å; M10-S265 VanDerWaalsContact O-CB 3.22Å; M10-S265 WeakPolarHBondContact O-CB 3.17Å; M10-S265 PolarHBondContact O-OG 3.37Å; Q13-S265 WeakPolarHBondContact CB-OG 3.18Å; Q13-S265 PolarHBondContact N-OG 3.24Å; Q13-S265 VanDerWaalsContact N-OG 3.1Å; R14-S265 WeakPolarHBondContact CB-O 3.47Å; R14-S265 PolarHBondContact N-OG 3.42Å; R14-S265 VanDerWaalsContact N-OG 3.07Å; M235-S265 VanDerWaalsContact SD-CB 3.56Å; L236-S265 PolarHBondContact O-N 2.94Å; N240-S265 PolarHBondContact ND2-O 2.82Å; N240-S265 PolarHBondContact OD1-O 2.78Å
266A98.4Very high98.2Very high0 Ų025.9 Ų25.90%013%0.13CC..SBendtrans-155.3165.2-176.400000110.7W9 M238 N240 I264 M268 L271W9-A266 PolarHBondContact NE1-O 2.81Å; M238-A266 VanDerWaalsContact O-CB 3.25Å; M238-A266 WeakPolarHBondContact O-CB 3.16Å; N240-A266 WeakPolarHBondContact OD1-CA 3.22Å; I264-A266 HydrophobicContact CG2-CB 4Å; A266-M268 PolarHBondContact O-N 3.11Å; A266-L271 HydrophobicContact CB-CD2 3.7Å
267D98.3Very high98.1Very high10 Ų1028.9 Ų28.95%0.05315%0.151CC..  trans-79.8106.8172.2-169.7-0.8000109.2F15 R36 D269 K270 L271F15-D267 HydrophobicContact CZ-CB 3.99Å; R36-D267 IonicContact CZ-OD1 2.67Å; R36-D267 IonicContact NH1-OD1 3.09Å; R36-D267 PolarHBondContact NH1-OD1 2.89Å; R36-D267 IonicContact NH2-OD1 3.66Å; R36-D267 PolarHBondContact NH2-OD1 2.97Å; R36-D267 VanDerWaalsContact NH2-OD1 3.13Å; R36-D267 IonicContact NH2-OD2 3.53Å; D267-D269 PolarHBondContact O-N 2.87Å; D267-D269 VanDerWaalsContact O-N 3.12Å; D267-K270 HydrophobicContact CB-CB 4.28Å; D267-K270 HydrophobicContact CB-CD 4.45Å; D267-K270 HydrophobicContact CB-CG 4.43Å; D267-K270 PolarHBondContact O-N 3.36Å; D267-K270 WeakPolarHBondContact OD2-CD 3.48Å; D267-K270 VanDerWaalsContact OD2-CE 3.3Å; D267-K270 WeakPolarHBondContact OD2-CE 3.39Å; D267-K270 IonicContact OD2-NZ 3.73Å; D267-L271 PolarHBondContact O-N 3.09Å
268M98.2Very high98.1Very high4 Ų429 Ų292%0.0215%0.152CC..THydrogen-bonded Turntrans-65.4-17.2-172.4-60.3-54.7-66.400113.4W9 T37 R40 L41 W46 I264 A266 K270 L271W9-M268 VanDerWaalsContact CD1-SD 3.58Å; T37-M268 HydrophobicContact CG2-CG 3.86Å; R40-M268 HydrophobicContact CB-CB 3.89Å; R40-M268 HydrophobicContact CG-CB 4.31Å; L41-M268 HydrophobicContact CD2-CE 3.92Å; W46-M268 HydrophobicContact CD2-CE 4.03Å; W46-M268 HydrophobicContact CG-CE 4.07Å; W46-M268 HydrophobicContact CZ2-CE 4.26Å; I264-M268 HydrophobicContact CG2-SD 4Å; A266-M268 PolarHBondContact O-N 3.11Å; M268-K270 VanDerWaalsContact C-N 3.29Å; M268-L271 HydrophobicContact CE-CD1 3.5Å; M268-L271 HydrophobicContact SD-CD1 3.9Å; M268-L271 HydrophobicContact SD-CG 4.44Å
269D96.8Very high98.1Very high83 Ų8329 Ų2944%0.44415%0.152SC..THydrogen-bonded Turntrans-78.7-11.3172.7-71.2-41.3000113R36 R40 D267R36-D269 IonicContact CZ-OD2 3.36Å; R36-D269 IonicContact NH1-OD2 2.73Å; R36-D269 PolarHBondContact NH1-OD2 2.78Å; R40-D269 WeakPolarHBondContact CD-OD1 3.32Å; R40-D269 WeakPolarHBondContact CG-OD1 3.18Å; R40-D269 IonicContact NE-OD1 3.06Å; D267-D269 PolarHBondContact O-N 2.87Å; D267-D269 VanDerWaalsContact O-N 3.12Å
270K96.3Very high98.1Very high146 Ų14632.7 Ų32.764%0.63517%0.166SC*.SBendtrans-130.316.8-168.8-57.1-175.5-174.6169.10114.1D267 M268 D272D267-K270 HydrophobicContact CB-CB 4.28Å; D267-K270 HydrophobicContact CB-CD 4.45Å; D267-K270 HydrophobicContact CB-CG 4.43Å; D267-K270 PolarHBondContact O-N 3.36Å; D267-K270 WeakPolarHBondContact OD2-CD 3.48Å; D267-K270 VanDerWaalsContact OD2-CE 3.3Å; D267-K270 WeakPolarHBondContact OD2-CE 3.39Å; D267-K270 IonicContact OD2-NZ 3.73Å; M268-K270 VanDerWaalsContact C-N 3.29Å; K270-D272 PolarHBondContact O-N 3.01Å
271L96.8Very high98.1Very high25 Ų2533.5 Ų33.513%0.13117%0.17CC..  trans-63.1130.5177.3-68.8179.1000111W46 A266 D267 M268 V276W46-L271 HydrophobicContact CH2-CD1 4.12Å; W46-L271 HydrophobicContact CZ2-CD1 3.51Å; A266-L271 HydrophobicContact CB-CD2 3.7Å; D267-L271 PolarHBondContact O-N 3.09Å; M268-L271 HydrophobicContact CE-CD1 3.5Å; M268-L271 HydrophobicContact SD-CD1 3.9Å; M268-L271 HydrophobicContact SD-CG 4.44Å; L271-V276 HydrophobicContact CB-CG2 3.72Å; L271-V276 HydrophobicContact CD1-CG2 4.29Å
272D97.2Very high98Very high50 Ų5037 Ų3727%0.26720%0.199SC..  trans-74.1151.7172.370.292.2000112K248 K270 F274 S275 V276K248-D272 IonicContact NZ-OD1 3.2Å; K248-D272 IonicContact NZ-OD2 2.84Å; K270-D272 PolarHBondContact O-N 3.01Å; D272-F274 PolarHBondContact O-N 3.03Å; D272-F274 WeakPolarHBondContact OD1-CB 3.28Å; D272-F274 PolarHBondContact OD1-N 2.96Å; D272-S275 VanDerWaalsContact CG-OG 3.25Å; D272-S275 WeakPolarHBondContact O-CB 3.48Å; D272-S275 PolarHBondContact O-N 3.01Å; D272-S275 PolarHBondContact OD1-N 2.88Å; D272-S275 PolarHBondContact OD1-OG 3.09Å; D272-S275 WeakPolarHBondContact OD2-CB 3.49Å; D272-S275 PolarHBondContact OD2-OG 3.06Å; D272-V276 WeakPolarHBondContact O-CG2 3.45Å; D272-V276 PolarHBondContact O-N 2.77Å
273N97.7Very high98Very high146 Ų14641.2 Ų41.278%0.78122%0.215SC*.Hα-helixtrans-57.8-34.3-175.8-73.3-20.6000113.3V276 S277N273-V276 PolarHBondContact O-N 2.73Å; N273-S277 WeakPolarHBondContact O-CB 3.31Å; N273-S277 PolarHBondContact O-N 3.06Å
274F98Very high97.9Very high42 Ų4241.1 Ų41.118%0.18421%0.214CC..Hα-helixtrans-69.9-47.5-179.4-175.5-92.7000110.8D245 K248 R249 D272 V276 S277 L278D245-F274 HydrophobicContact CB-CD1 3.76Å; D245-F274 HydrophobicContact CB-CD2 4.33Å; D245-F274 HydrophobicContact CB-CE1 3.44Å; D245-F274 VanDerWaalsContact CB-CE1 3.44Å; D245-F274 HydrophobicContact CB-CE2 4.05Å; D245-F274 HydrophobicContact CB-CG 4.18Å; D245-F274 HydrophobicContact CB-CZ 3.58Å; D245-F274 VanDerWaalsContact CG-CD1 3.41Å; D245-F274 WeakPolarHBondContact O-CE1 3.43Å; D245-F274 WeakPolarHBondContact O-CZ 3.47Å; D245-F274 VanDerWaalsContact OD1-CD1 3.28Å; D245-F274 WeakPolarHBondContact OD1-CD1 3.38Å; K248-F274 HydrophobicContact CB-CE1 4.13Å; K248-F274 HydrophobicContact CD-CD1 3.94Å; K248-F274 HydrophobicContact CD-CE1 4.3Å; R249-F274 HydrophobicContact CG-CE1 4.31Å; R249-F274 HydrophobicContact CG-CZ 3.85Å; D272-F274 PolarHBondContact O-N 3.03Å; D272-F274 WeakPolarHBondContact OD1-CB 3.28Å; D272-F274 PolarHBondContact OD1-N 2.96Å; F274-V276 VanDerWaalsContact C-N 3.28Å; F274-V276 PolarHBondContact O-N 3.24Å; F274-S277 WeakPolarHBondContact O-CB 3.47Å; F274-S277 PolarHBondContact O-N 3.49Å; F274-S277 VanDerWaalsContact O-N 3.08Å; F274-S277 PolarHBondContact O-OG 2.86Å; F274-L278 HydrophobicContact CD1-CD1 4.03Å; F274-L278 HydrophobicContact CD1-CG 4.47Å; F274-L278 HydrophobicContact CE1-CD1 3.47Å; F274-L278 VanDerWaalsContact CE1-CD1 3.47Å; F274-L278 HydrophobicContact CE1-CG 4.09Å; F274-L278 HydrophobicContact CZ-CD1 4.14Å; F274-L278 HydrophobicContact CZ-CG 4.46Å; F274-L278 PolarHBondContact O-N 3.1Å; F274-L278 VanDerWaalsContact O-N 3.13Å
275S98.4Very high97.9Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-54.8-44.5170.8-67.80000111.8G239 D272 S277 L278 L279G239-S275 PolarHBondContact N-OG 2.93Å; D272-S275 VanDerWaalsContact CG-OG 3.25Å; D272-S275 WeakPolarHBondContact O-CB 3.48Å; D272-S275 PolarHBondContact O-N 3.01Å; D272-S275 PolarHBondContact OD1-N 2.88Å; D272-S275 PolarHBondContact OD1-OG 3.09Å; D272-S275 WeakPolarHBondContact OD2-CB 3.49Å; D272-S275 PolarHBondContact OD2-OG 3.06Å; S275-S277 VanDerWaalsContact C-N 3.33Å; S275-S277 PolarHBondContact O-N 3.17Å; S275-L278 PolarHBondContact O-N 2.87Å; S275-L279 WeakPolarHBondContact O-CG 3.33Å; S275-L279 PolarHBondContact O-N 2.97Å
276V98.5Very high97.8Very high34 Ų3444.8 Ų44.821%0.20624%0.243CC..Hα-helixtrans-59.9-44.2175.6174.40000111.4W46 L271 D272 N273 F274 L278 L279 R280W46-V276 HydrophobicContact CH2-CB 4.34Å; W46-V276 HydrophobicContact CH2-CG1 4.03Å; W46-V276 HydrophobicContact CH2-CG2 4.21Å; W46-V276 HydrophobicContact CZ2-CG1 4.25Å; W46-V276 HydrophobicContact CZ2-CG2 4.08Å; L271-V276 HydrophobicContact CB-CG2 3.72Å; L271-V276 HydrophobicContact CD1-CG2 4.29Å; D272-V276 WeakPolarHBondContact O-CG2 3.45Å; D272-V276 PolarHBondContact O-N 2.77Å; N273-V276 PolarHBondContact O-N 2.73Å; F274-V276 VanDerWaalsContact C-N 3.28Å; F274-V276 PolarHBondContact O-N 3.24Å; V276-L278 VanDerWaalsContact C-N 3.29Å; V276-L278 PolarHBondContact O-N 3.02Å; V276-L279 PolarHBondContact O-N 3.21Å; V276-R280 HydrophobicContact CG1-CG 4.21Å; V276-R280 WeakPolarHBondContact O-CB 3.22Å; V276-R280 VanDerWaalsContact O-CG 3.23Å; V276-R280 WeakPolarHBondContact O-CG 3.08Å; V276-R280 PolarHBondContact O-N 2.86Å
277S98.1Very high97.8Very high63 Ų6345 Ų4544%0.44124%0.243SC..Hα-helixtrans-61.3-37-179.880.20000112.7N273 F274 S275 N281N273-S277 WeakPolarHBondContact O-CB 3.31Å; N273-S277 PolarHBondContact O-N 3.06Å; F274-S277 WeakPolarHBondContact O-CB 3.47Å; F274-S277 PolarHBondContact O-N 3.49Å; F274-S277 VanDerWaalsContact O-N 3.08Å; F274-S277 PolarHBondContact O-OG 2.86Å; S275-S277 VanDerWaalsContact C-N 3.33Å; S275-S277 PolarHBondContact O-N 3.17Å; S277-N281 WeakPolarHBondContact O-CB 3.27Å; S277-N281 PolarHBondContact O-N 2.02Å
278L98.5Very high97.8Very high4 Ų444.5 Ų44.52%0.02124%0.241CC..Hα-helixtrans-73.7-49.6179-68.4179.2000111.8K248 R249 M252 F274 S275 V276 R280 N281 L284 F360K248-L278 HydrophobicContact CB-CD1 3.82Å; R249-L278 HydrophobicContact CG-CD1 4.06Å; R249-L278 HydrophobicContact CG-CD2 3.86Å; M252-L278 HydrophobicContact CG-CB 4.37Å; F274-L278 HydrophobicContact CD1-CD1 4.03Å; F274-L278 HydrophobicContact CD1-CG 4.47Å; F274-L278 HydrophobicContact CE1-CD1 3.47Å; F274-L278 VanDerWaalsContact CE1-CD1 3.47Å; F274-L278 HydrophobicContact CE1-CG 4.09Å; F274-L278 HydrophobicContact CZ-CD1 4.14Å; F274-L278 HydrophobicContact CZ-CG 4.46Å; F274-L278 PolarHBondContact O-N 3.1Å; F274-L278 VanDerWaalsContact O-N 3.13Å; S275-L278 PolarHBondContact O-N 2.87Å; V276-L278 VanDerWaalsContact C-N 3.29Å; V276-L278 PolarHBondContact O-N 3.02Å; L278-R280 PolarHBondContact O-N 3.43Å; L278-N281 WeakPolarHBondContact O-CB 3.3Å; L278-N281 PolarHBondContact O-N 3.08Å; L278-N281 VanDerWaalsContact O-N 3.1Å; L278-L284 HydrophobicContact CD2-CD1 4.29Å; L278-F360 HydrophobicContact CD2-CD1 3.9Å; L278-F360 HydrophobicContact CD2-CE1 4.19Å
279L98.6Very high97.8Very high0 Ų046.7 Ų46.70%025%0.251CS..Hα-helixtrans-63.6-25.3-178.8-67.2169.5000112.4W46 Y51 L236 M238 M252 I264 S275 V276W46-L279 HydrophobicContact CH2-CB 3.93Å; W46-L279 HydrophobicContact CH2-CD1 4.18Å; W46-L279 HydrophobicContact CZ3-CB 3.56Å; W46-L279 HydrophobicContact CZ3-CD1 4.34Å; Y51-L279 WeakPolarHBondContact CE2-O 3.41Å; Y51-L279 PolarHBondContact OH-O 3.35Å; L236-L279 HydrophobicContact CD1-CD2 3.79Å; M238-L279 HydrophobicContact CB-CD1 3.89Å; M238-L279 HydrophobicContact CB-CD2 4.22Å; M238-L279 HydrophobicContact CB-CG 4.08Å; M238-L279 HydrophobicContact CG-CD2 4.18Å; M238-L279 HydrophobicContact CG-CG 4.27Å; M252-L279 HydrophobicContact SD-CD2 4.28Å; I264-L279 HydrophobicContact CD1-CD1 3.88Å; I264-L279 HydrophobicContact CD1-CD2 4.09Å; I264-L279 HydrophobicContact CD1-CG 4.46Å; I264-L279 HydrophobicContact CG1-CD1 4.2Å; I264-L279 HydrophobicContact CG1-CD2 3.9Å; S275-L279 WeakPolarHBondContact O-CG 3.33Å; S275-L279 PolarHBondContact O-N 2.97Å; V276-L279 PolarHBondContact O-N 3.21Å
280R98.4Very high97.8Very high77 Ų7743.1 Ų43.129%0.29123%0.232SC..THydrogen-bonded Turntrans-95.3-3.5177.1-61.2-172.4175.3-110.3-4.1114.4D44 W46 L49 V276 L278 A282D44-R280 PolarHBondContact O-NH1 2.86Å; D44-R280 PolarHBondContact O-NH2 3.42Å; W46-R280 HydrophobicContact CE3-CG 4.26Å; W46-R280 HydrophobicContact CH2-CG 3.78Å; W46-R280 HydrophobicContact CZ3-CG 3.49Å; W46-R280 VanDerWaalsContact CZ3-CG 3.49Å; L49-R280 HydrophobicContact CD1-CB 3.99Å; L49-R280 HydrophobicContact CD1-CG 3.55Å; V276-R280 HydrophobicContact CG1-CG 4.21Å; V276-R280 WeakPolarHBondContact O-CB 3.22Å; V276-R280 VanDerWaalsContact O-CG 3.23Å; V276-R280 WeakPolarHBondContact O-CG 3.08Å; V276-R280 PolarHBondContact O-N 2.86Å; L278-R280 PolarHBondContact O-N 3.43Å; R280-A282 PolarHBondContact O-N 3.21Å
281N98.4Very high97.7Very high17 Ų1744.5 Ų44.59%0.09124%0.238CC..  trans-66108.1-172.7-177.2-41.8000110.3S277 L278 R283 L284 L285 V359 F360S277-N281 WeakPolarHBondContact O-CB 3.27Å; S277-N281 PolarHBondContact O-N 2.02Å; L278-N281 WeakPolarHBondContact O-CB 3.3Å; L278-N281 PolarHBondContact O-N 3.08Å; L278-N281 VanDerWaalsContact O-N 3.1Å; N281-R283 PolarHBondContact O-N 3.35Å; N281-R283 VanDerWaalsContact O-N 3.1Å; N281-R283 WeakPolarHBondContact OD1-CB 2.99Å; N281-R283 PolarHBondContact OD1-N 3.36Å; N281-L284 HydrophobicContact CB-CB 4.1Å; N281-L284 HydrophobicContact CB-CD1 3.72Å; N281-L284 HydrophobicContact CB-CG 4.16Å; N281-L284 PolarHBondContact O-N 2.82Å; N281-L284 PolarHBondContact OD1-N 3.1Å; N281-L285 WeakPolarHBondContact O-CG 3.48Å; N281-L285 PolarHBondContact O-N 2.99Å; N281-V359 PolarHBondContact ND2-O 2.91Å; N281-V359 PolarHBondContact OD1-O 3.48Å; N281-F360 PolarHBondContact ND2-O 3.12Å
282A97.4Very high97.6Very high72 Ų7243.9 Ų43.960%0.59524%0.238SC*.Hα-helixtrans-57.7-29-175.900000113.6R280 A286R280-A282 PolarHBondContact O-N 3.21Å; A282-A286 WeakPolarHBondContact O-CB 3.44Å; A282-A286 PolarHBondContact O-N 3.39Å
283R97.1Very high97.6Very high90 Ų9041.6 Ų41.634%0.3423%0.226SC..Hα-helixtrans-75.6-39.9177.7-66.4172.1-69.4-90.61.8111.7N281 A286 I287 V359 F360 S361 G362N281-R283 PolarHBondContact O-N 3.35Å; N281-R283 VanDerWaalsContact O-N 3.1Å; N281-R283 WeakPolarHBondContact OD1-CB 2.99Å; N281-R283 PolarHBondContact OD1-N 3.36Å; R283-A286 PolarHBondContact O-N 2.74Å; R283-I287 WeakPolarHBondContact O-CG1 3.02Å; R283-I287 PolarHBondContact O-N 2.88Å; R283-I287 VanDerWaalsContact O-N 3.14Å; R283-V359 HydrophobicContact CB-CG1 4.07Å; R283-V359 PolarHBondContact NE-O 3.48Å; R283-F360 PolarHBondContact NH2-O 2.82Å; R283-S361 PolarHBondContact NH2-O 3.14Å; R283-G362 VanDerWaalsContact CZ-N 3.35Å; R283-G362 VanDerWaalsContact NE-CA 3.31Å; R283-G362 VanDerWaalsContact NH2-N 3.17Å
284L98.3Very high97.6Very high0 Ų037.3 Ų37.30%020%0.201CC..Hα-helixtrans-62.4-49.6172.6-76.7166.5000110.4M252 C256 L278 N281 A286 I287 D288 V359 F360 M385M252-L284 HydrophobicContact CB-CD1 4.45Å; M252-L284 HydrophobicContact CE-CB 4.16Å; M252-L284 HydrophobicContact CG-CD1 3.6Å; M252-L284 HydrophobicContact CG-CD2 4.41Å; M252-L284 HydrophobicContact CG-CG 4.42Å; C256-L284 HydrophobicContact CB-CD2 4.39Å; L278-L284 HydrophobicContact CD2-CD1 4.29Å; N281-L284 HydrophobicContact CB-CB 4.1Å; N281-L284 HydrophobicContact CB-CD1 3.72Å; N281-L284 HydrophobicContact CB-CG 4.16Å; N281-L284 PolarHBondContact O-N 2.82Å; N281-L284 PolarHBondContact OD1-N 3.1Å; L284-A286 VanDerWaalsContact C-N 3.3Å; L284-A286 PolarHBondContact O-N 3.14Å; L284-I287 WeakPolarHBondContact O-CB 3.46Å; L284-I287 PolarHBondContact O-N 3.3Å; L284-I287 VanDerWaalsContact O-N 3.08Å; L284-D288 PolarHBondContact O-N 3.4Å; L284-V359 HydrophobicContact CD2-CG1 3.61Å; L284-V359 HydrophobicContact CG-CG1 3.74Å; L284-F360 HydrophobicContact CD1-CD1 4.11Å; L284-F360 HydrophobicContact CD1-CE1 4.02Å; L284-F360 HydrophobicContact CD2-CE1 4.21Å; L284-M385 HydrophobicContact CD2-CE 4.2Å; L284-M385 HydrophobicContact CD2-SD 4.14Å
285L98.2Very high97.6Very high14 Ų1435.4 Ų35.47%0.07319%0.193CC..Hα-helixtrans-60.6-38178-63.3-175.8000112.3M7 L49 M252 L262 N281 I287 D288 Q289M7-L285 HydrophobicContact CE-CD1 4.28Å; M7-L285 HydrophobicContact CE-CD2 3.51Å; M7-L285 HydrophobicContact CE-CG 4.45Å; L49-L285 HydrophobicContact CB-CD1 4.34Å; L49-L285 HydrophobicContact CD2-CD1 4.36Å; M252-L285 HydrophobicContact CE-CD2 3.99Å; L262-L285 HydrophobicContact CD1-CD2 3.73Å; N281-L285 WeakPolarHBondContact O-CG 3.48Å; N281-L285 PolarHBondContact O-N 2.99Å; L285-I287 VanDerWaalsContact C-N 3.33Å; L285-I287 PolarHBondContact O-N 3.44Å; L285-D288 PolarHBondContact O-N 3.3Å; L285-Q289 VanDerWaalsContact O-CB 3.25Å; L285-Q289 WeakPolarHBondContact O-CB 3.37Å; L285-Q289 WeakPolarHBondContact O-CG 3.43Å; L285-Q289 PolarHBondContact O-N 3.34Å
286A96.9Very high97.6Very high63 Ų6335.4 Ų35.452%0.52119%0.193SC..Hα-helixtrans-66.8-31.9175.700000113.4A282 R283 L284 D290A282-A286 WeakPolarHBondContact O-CB 3.44Å; A282-A286 PolarHBondContact O-N 3.39Å; R283-A286 PolarHBondContact O-N 2.74Å; L284-A286 VanDerWaalsContact C-N 3.3Å; L284-A286 PolarHBondContact O-N 3.14Å; A286-D290 PolarHBondContact O-N 3.35Å
287I97.8Very high97.6Very high4 Ų433.9 Ų33.92%0.02118%0.183CC..Hα-helixtrans-69.9-46.4173.6-68.8167000109.9C256 R283 L284 L285 D290 R310 L312 A320 V359 M385C256-I287 HydrophobicContact CB-CG2 4.31Å; R283-I287 WeakPolarHBondContact O-CG1 3.02Å; R283-I287 PolarHBondContact O-N 2.88Å; R283-I287 VanDerWaalsContact O-N 3.14Å; L284-I287 WeakPolarHBondContact O-CB 3.46Å; L284-I287 PolarHBondContact O-N 3.3Å; L284-I287 VanDerWaalsContact O-N 3.08Å; L285-I287 VanDerWaalsContact C-N 3.33Å; L285-I287 PolarHBondContact O-N 3.44Å; I287-D290 WeakPolarHBondContact O-CB 3.37Å; I287-R310 PolarHBondContact O-NH1 3.09Å; I287-R310 PolarHBondContact O-NH2 2.91Å; I287-L312 HydrophobicContact CG1-CD1 4.09Å; I287-L312 HydrophobicContact CG2-CD2 4.38Å; I287-A320 HydrophobicContact CD1-CB 4.02Å; I287-A320 HydrophobicContact CG1-CB 4.28Å; I287-A320 HydrophobicContact CG2-CB 4.15Å; I287-V359 HydrophobicContact CD1-CB 4.36Å; I287-V359 HydrophobicContact CD1-CG1 3.71Å; I287-V359 HydrophobicContact CD1-CG2 3.65Å; I287-M385 HydrophobicContact CD1-CE 4.14Å
288D98.1Very high97.6Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-62.7-49.4-179.8-177-104.6000112.4C256 A260 L262 L284 L285 D290C256-D288 HydrophobicContact CB-CB 4.13Å; A260-D288 VanDerWaalsContact O-OD2 3.07Å; L262-D288 HydrophobicContact CD1-CB 3.9Å; L262-D288 WeakPolarHBondContact CD1-OD1 3.44Å; L262-D288 HydrophobicContact CG-CB 4.49Å; L262-D288 WeakPolarHBondContact CG-OD1 3.29Å; L284-D288 PolarHBondContact O-N 3.4Å; L285-D288 PolarHBondContact O-N 3.3Å; D288-D290 PolarHBondContact O-N 3.11Å
289Q97.7Very high97.6Very high51 Ų5133.5 Ų33.524%0.23818%0.176CC..THydrogen-bonded Turntrans-86.418.2-175.8-59.8-68.6-6900113.2P5 M7 L285 K291P5-Q289 PolarHBondContact O-NE2 2.95Å; M7-Q289 HydrophobicContact SD-CG 3.66Å; L285-Q289 VanDerWaalsContact O-CB 3.25Å; L285-Q289 WeakPolarHBondContact O-CB 3.37Å; L285-Q289 WeakPolarHBondContact O-CG 3.43Å; L285-Q289 PolarHBondContact O-N 3.34Å; Q289-K291 PolarHBondContact O-N 3.29Å
290D97.5Very high97.6Very high8 Ų836.6 Ų36.64%0.04319%0.189CC..  trans-59.3128.6175.3-177.776.5000111A286 I287 D288 G292 G293 L312 D313 G314A286-D290 PolarHBondContact O-N 3.35Å; I287-D290 WeakPolarHBondContact O-CB 3.37Å; D288-D290 PolarHBondContact O-N 3.11Å; D290-G292 PolarHBondContact O-N 3.39Å; D290-G292 WeakPolarHBondContact OD2-CA 3.47Å; D290-G292 PolarHBondContact OD2-N 3.26Å; D290-G293 PolarHBondContact O-N 3.01Å; D290-L312 HydrophobicContact CB-CD2 3.68Å; D290-D313 PolarHBondContact OD1-N 3.3Å; D290-D313 VanDerWaalsContact OD1-N 3.13Å; D290-D313 PolarHBondContact OD2-N 2.88Å; D290-D313 VanDerWaalsContact OD2-N 3.08Å; D290-G314 WeakPolarHBondContact OD1-CA 3.14Å; D290-G314 PolarHBondContact OD1-N 2.04Å
291K94.8Very high97.5Very high175 Ų17535.6 Ų35.676%0.76119%0.194SC*.THydrogen-bonded Turntrans-67.5-19.5-174.2-67.9-178.1-179.2174.90113.8Q289 G293Q289-K291 PolarHBondContact O-N 3.29Å; K291-G293 PolarHBondContact O-N 3.45Å
292G94.5Very high97.4Very high12 Ų1237.8 Ų37.812%0.12420%0.204CC..THydrogen-bonded Turntrans-66-28.3173.600000111.9D290 H294 D313D290-G292 PolarHBondContact O-N 3.39Å; D290-G292 WeakPolarHBondContact OD2-CA 3.47Å; D290-G292 PolarHBondContact OD2-N 3.26Å; G292-H294 PolarHBondContact O-N 3.17Å; G292-D313 WeakPolarHBondContact CA-OD2 3.3Å
293G96.3Very high97.3Very high1 Ų139.6 Ų39.61%0.0120%0.203CC..  trans6517176.400000114.3W230 D290 K291 Q295W230-G293 WeakPolarHBondContact CZ3-O 3.29Å; D290-G293 PolarHBondContact O-N 3.01Å; K291-G293 PolarHBondContact O-N 3.45Å; G293-Q295 PolarHBondContact O-N 2.89Å
294H97.3Very high97.3Very high56 Ų5639.9 Ų39.926%0.25921%0.212SC..PPolyproline II helixtrans-71.4126.1179.5-56.3-64.1000110.3G292 R310 P311 D313G292-H294 PolarHBondContact O-N 3.17Å; H294-R310 WeakPolarHBondContact O-CD 3.34Å; H294-R310 WeakPolarHBondContact O-CG 3.43Å; H294-R310 PolarHBondContact O-NE 3.26Å; H294-R310 PolarHBondContact O-NH2 3.47Å; H294-P311 HydrophobicContact CB-CG 3.78Å; H294-D313 IonicContact CD2-OD1 2.75Å; H294-D313 IonicContact CD2-OD2 3.79Å; H294-D313 IonicContact CE1-OD2 3.09Å; H294-D313 IonicContact NE2-OD1 3.74Å; H294-D313 IonicContact NE2-OD2 2.77Å; H294-D313 PolarHBondContact NE2-OD2 3.38Å
295Q98.2Very high97.3Very high3 Ų339.9 Ų39.91%0.01421%0.212CC..PPolyproline II helixtrans-78.1144.9169.4164.3166.8-24.600110.5P222 A225 N231 F258 G293 Y347P222-Q295 HydrophobicContact CB-CG 4.37Å; P222-Q295 HydrophobicContact CG-CG 4.4Å; A225-Q295 HydrophobicContact CB-CB 3.74Å; N231-Q295 PolarHBondContact ND2-OE1 2.94Å; F258-Q295 WeakPolarHBondContact O-CB 3.42Å; F258-Q295 WeakPolarHBondContact O-CG 3Å; F258-Q295 PolarHBondContact O-OE1 3.43Å; G293-Q295 PolarHBondContact O-N 2.89Å; Q295-Y347 WeakPolarHBondContact O-CE2 3.49Å; Q295-Y347 PolarHBondContact O-OH 3.35Å
296A98.5Very high97.3Very high0 Ų039.4 Ų39.40%021%0.209CC..PPolyproline II helixtrans-60.6147.2175.800000113M257 W308 V309 R310M257-A296 HydrophobicContact CB-CB 3.83Å; M257-A296 HydrophobicContact CE-CB 3.83Å; M257-A296 WeakPolarHBondContact O-CA 3.44Å; M257-A296 WeakPolarHBondContact O-CB 3.15Å; M257-A296 PolarHBondContact O-N 3.13Å; A296-W308 HydrophobicContact CB-CE3 4.42Å; A296-V309 WeakPolarHBondContact CA-O 2.96Å; A296-R310 HydrophobicContact CB-CB 3.95Å
297E98.6Very high97.4Very high2 Ų236.4 Ų36.41%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-105.9139.8169.1-72.6-172.8161.400111.4N218 P222 W308 V309 S344 Q345 S346 Y347N218-E297 VanDerWaalsContact OD1-CA 3.24Å; N218-E297 WeakPolarHBondContact OD1-CA 3.44Å; P222-E297 HydrophobicContact CB-CG 3.76Å; P222-E297 HydrophobicContact CG-CG 3.78Å; E297-W308 VanDerWaalsContact C-CE3 3.49Å; E297-W308 WeakPolarHBondContact O-CA 3.49Å; E297-V309 PolarHBondContact N-O 2.94Å; E297-V309 PolarHBondContact O-N 2.71Å; E297-S344 WeakPolarHBondContact OE2-CB 3.44Å; E297-S344 PolarHBondContact OE2-OG 3.25Å; E297-Q345 VanDerWaalsContact CD-CG 3.45Å; E297-Q345 VanDerWaalsContact OE1-CG 3.23Å; E297-Q345 WeakPolarHBondContact OE1-CG 3.38Å; E297-Q345 PolarHBondContact OE1-NE2 3.08Å; E297-Q345 WeakPolarHBondContact OE2-CG 3.39Å; E297-Q345 PolarHBondContact OE2-N 2.75Å; E297-S346 WeakPolarHBondContact OE1-CB 3.48Å; E297-S346 PolarHBondContact OE1-OG 2.72Å; E297-S346 PolarHBondContact OE2-N 3.26Å; E297-Y347 HydrophobicContact CB-CD2 3.93Å; E297-Y347 HydrophobicContact CB-CE2 4.11Å; E297-Y347 HydrophobicContact CG-CD2 3.77Å; E297-Y347 HydrophobicContact CG-CE2 3.52Å
298F98.6Very high97.5Very high32 Ų3236.3 Ų36.314%0.1418%0.184CC..EExtended strand (participates in β ladder)trans-66.5133.9166.7177.2-105.7000109.6K215 N218 K300 S301 Q306 W308K215-F298 HydrophobicContact CB-CD2 4.37Å; K215-F298 HydrophobicContact CB-CG 4.44Å; K215-F298 HydrophobicContact CD-CD2 3.91Å; K215-F298 HydrophobicContact CD-CE1 4.25Å; K215-F298 HydrophobicContact CD-CE2 3.56Å; K215-F298 HydrophobicContact CD-CG 4.39Å; K215-F298 HydrophobicContact CD-CZ 3.73Å; K215-F298 HydrophobicContact CG-CB 4.48Å; K215-F298 HydrophobicContact CG-CD1 4.01Å; K215-F298 HydrophobicContact CG-CD2 3.81Å; K215-F298 HydrophobicContact CG-CE1 4.12Å; K215-F298 HydrophobicContact CG-CE2 3.94Å; K215-F298 HydrophobicContact CG-CG 3.83Å; K215-F298 HydrophobicContact CG-CZ 4.07Å; N218-F298 HydrophobicContact CB-CB 4.14Å; N218-F298 PolarHBondContact ND2-O 2.84Å; N218-F298 PolarHBondContact OD1-N 2.91Å; F298-K300 WeakPolarHBondContact CE2-O 3.29Å; F298-K300 VanDerWaalsContact CZ-CA 3.44Å; F298-K300 WeakPolarHBondContact CZ-O 3.43Å; F298-S301 WeakPolarHBondContact CZ-OG 3.44Å; F298-Q306 HydrophobicContact CE2-CB 4.05Å; F298-Q306 HydrophobicContact CE2-CG 4.26Å; F298-W308 VanDerWaalsContact CA-CE3 3.44Å; F298-W308 HydrophobicContact CB-CD2 4.24Å; F298-W308 HydrophobicContact CB-CE3 3.82Å; F298-W308 HydrophobicContact CB-CH2 3.86Å; F298-W308 HydrophobicContact CB-CZ2 4.27Å; F298-W308 HydrophobicContact CB-CZ3 3.59Å; F298-W308 HydrophobicContact CD2-CD2 4.25Å; F298-W308 AromaticContact CD2-CE2 3.84Å; F298-W308 HydrophobicContact CD2-CH2 4.34Å; F298-W308 AromaticContact CD2-CZ2 3.91Å; F298-W308 HydrophobicContact CD2-CZ2 3.91Å
299V98.4Very high97.5Very high26 Ų2636.3 Ų36.316%0.15818%0.184CC..EExtended strand (participates in β ladder)trans-97.3-66.4179.2177.30000109.7M307 V309 E341 F342V299-M307 HydrophobicContact CB-CB 3.96Å; V299-M307 WeakPolarHBondContact CB-O 3.47Å; V299-M307 HydrophobicContact CG1-CB 4.42Å; V299-M307 PolarHBondContact N-O 2.9Å; V299-V309 HydrophobicContact CG2-CB 4.13Å; V299-V309 HydrophobicContact CG2-CG1 3.65Å; V299-E341 WeakPolarHBondContact CG1-O 3.48Å; V299-F342 HydrophobicContact CG2-CD1 4.4Å
300K97.8Very high97.5Very high66 Ų6633.9 Ų33.929%0.28717%0.172SC..EExtended strand (participates in β ladder)trans-165.9168.9-179.864.8-177.3177.3167.70110.8F298 M307 E341F298-K300 WeakPolarHBondContact CE2-O 3.29Å; F298-K300 VanDerWaalsContact CZ-CA 3.44Å; F298-K300 WeakPolarHBondContact CZ-O 3.43Å; K300-M307 HydrophobicContact CD-SD 4.26Å; K300-M307 WeakPolarHBondContact CE-SD 3.47Å; K300-M307 HydrophobicContact CG-SD 3.82Å; K300-M307 PolarHBondContact O-N 3.43Å; K300-E341 IonicContact NZ-OE2 2.74Å; K300-E341 PolarHBondContact NZ-OE2 3.3Å
301S97.6Very high97.4Very high56 Ų5634.4 Ų34.439%0.39218%0.176SC..EExtended strand (participates in β ladder)trans-110.8136.6166.7-72.90000109.6K215 F298 V305K215-S301 PolarHBondContact NZ-OG 3.15Å; F298-S301 WeakPolarHBondContact CZ-OG 3.44Å; S301-V305 CarbonylContact C-O 3.47Å; S301-V305 VanDerWaalsContact CA-O 3.27Å; S301-V305 WeakPolarHBondContact CA-O 3.38Å
302Q96.6Very high97.5Very high62 Ų6226.2 Ų26.229%0.2914%0.14SC..EExtended strand (participates in β ladder)trans-146.9123.6177.5176.6178.9-15.500109D304 V305 F335Q302-D304 VanDerWaalsContact C-N 3.29Å; Q302-D304 PolarHBondContact O-N 3.11Å; Q302-V305 PolarHBondContact N-O 3.2Å; Q302-V305 WeakPolarHBondContact O-CB 3.5Å; Q302-V305 PolarHBondContact O-N 2.84Å; Q302-F335 HydrophobicContact CB-CE2 3.97Å; Q302-F335 HydrophobicContact CB-CZ 4.39Å; Q302-F335 HydrophobicContact CG-CE2 4.01Å
303N95.3Very high97.3Very high110 Ų11029.8 Ų29.859%0.58816%0.157SC*.THydrogen-bonded Turntrans50.747.3-177.2-53.4-24.1000112.5V305 I333N303-V305 PolarHBondContact O-N 2.96Å; N303-I333 HydrophobicContact CB-CD1 3.9Å; N303-I333 WeakPolarHBondContact O-CD1 3.3Å
304D96.5Very high96.1Very high97 Ų9730.9 Ų30.952%0.51917%0.168SC..THydrogen-bonded Turntrans59.113.4-175.3-50.4-44.8000115.7Q302 F325 T326 T327Q302-D304 VanDerWaalsContact C-N 3.29Å; Q302-D304 PolarHBondContact O-N 3.11Å; D304-F325 HydrophobicContact CB-CD2 4.2Å; D304-F325 HydrophobicContact CB-CE2 3.97Å; D304-T326 PolarHBondContact O-N 2.7Å; D304-T326 PolarHBondContact O-OG1 2.02Å; D304-T327 WeakPolarHBondContact CB-OG1 3.03Å; D304-T327 PolarHBondContact OD2-OG1 2.94Å
305V98.5Very high94.5Very high0 Ų036.1 Ų36.10%020%0.198CC..EExtended strand (participates in β ladder)trans-96.4120.6169.9-177.70000109.4S301 Q302 N303 C323 L324 F325 I333 F335 I378S301-V305 CarbonylContact C-O 3.47Å; S301-V305 VanDerWaalsContact CA-O 3.27Å; S301-V305 WeakPolarHBondContact CA-O 3.38Å; Q302-V305 PolarHBondContact N-O 3.2Å; Q302-V305 WeakPolarHBondContact O-CB 3.5Å; Q302-V305 PolarHBondContact O-N 2.84Å; N303-V305 PolarHBondContact O-N 2.96Å; V305-C323 HydrophobicContact CG1-CB 3.78Å; V305-L324 CarbonylContact C-O 3.55Å; V305-L324 VanDerWaalsContact CA-O 3.27Å; V305-L324 WeakPolarHBondContact CA-O 3.44Å; V305-F325 HydrophobicContact CG2-CB 4.31Å; V305-F325 HydrophobicContact CG2-CD2 3.96Å; V305-F325 HydrophobicContact CG2-CG 4.44Å; V305-I333 HydrophobicContact CG2-CD1 4.27Å; V305-I333 HydrophobicContact CG2-CG2 4.06Å; V305-F335 HydrophobicContact CB-CD2 3.81Å; V305-F335 HydrophobicContact CB-CE2 3.81Å; V305-F335 HydrophobicContact CB-CG 4.24Å; V305-F335 HydrophobicContact CB-CZ 4.22Å; V305-F335 HydrophobicContact CG1-CD1 4.08Å; V305-F335 HydrophobicContact CG1-CD2 4.16Å; V305-F335 HydrophobicContact CG1-CE1 4.06Å; V305-F335 HydrophobicContact CG1-CE2 4.15Å; V305-F335 HydrophobicContact CG1-CG 4.13Å; V305-F335 HydrophobicContact CG1-CZ 4.11Å; V305-F335 HydrophobicContact CG2-CB 4.3Å; V305-F335 HydrophobicContact CG2-CD2 3.69Å; V305-F335 HydrophobicContact CG2-CE2 4.21Å; V305-F335 HydrophobicContact CG2-CG 4.02Å; V305-I378 HydrophobicContact CG1-CD1 3.89Å; V305-I378 HydrophobicContact CG2-CD1 4.17Å
306Q98.6Very high93.1Very high4 Ų438.3 Ų38.32%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-84.7127.8168.8-57.5-170.712.900110.1N212 F298 C323 L324 T326N212-Q306 PolarHBondContact OD1-NE2 3.18Å; F298-Q306 HydrophobicContact CE2-CB 4.05Å; F298-Q306 HydrophobicContact CE2-CG 4.26Å; Q306-C323 WeakPolarHBondContact O-CA 3.05Å; Q306-L324 HydrophobicContact CB-CB 4.34Å; Q306-L324 PolarHBondContact N-O 2.77Å; Q306-L324 PolarHBondContact O-N 2.86Å; Q306-T326 HydrophobicContact CG-CG2 3.74Å
307M98.7Very high92.4Very high0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-102.1134.4175.4-64.4171.971.300110.4V299 K300 A322 F335 T337 E341 F342V299-M307 HydrophobicContact CB-CB 3.96Å; V299-M307 WeakPolarHBondContact CB-O 3.47Å; V299-M307 HydrophobicContact CG1-CB 4.42Å; V299-M307 PolarHBondContact N-O 2.9Å; K300-M307 HydrophobicContact CD-SD 4.26Å; K300-M307 WeakPolarHBondContact CE-SD 3.47Å; K300-M307 HydrophobicContact CG-SD 3.82Å; K300-M307 PolarHBondContact O-N 3.43Å; M307-A322 WeakPolarHBondContact CA-O 3.38Å; M307-F335 HydrophobicContact CG-CE1 4.08Å; M307-F335 HydrophobicContact CG-CZ 3.95Å; M307-F335 HydrophobicContact SD-CE1 4.07Å; M307-F335 HydrophobicContact SD-CZ 3.69Å; M307-T337 HydrophobicContact CE-CG2 4.49Å; M307-T337 WeakPolarHBondContact CE-OG1 3.42Å; M307-E341 HydrophobicContact CE-CB 4.01Å; M307-F342 HydrophobicContact CB-CD1 4.41Å; M307-F342 HydrophobicContact CB-CE1 3.94Å; M307-F342 HydrophobicContact CE-CD1 3.98Å; M307-F342 HydrophobicContact CE-CD2 3.73Å; M307-F342 HydrophobicContact CE-CE1 3.73Å; M307-F342 HydrophobicContact CE-CE2 3.48Å; M307-F342 VanDerWaalsContact CE-CE2 3.48Å; M307-F342 HydrophobicContact CE-CG 3.99Å; M307-F342 HydrophobicContact CE-CZ 3.49Å; M307-F342 VanDerWaalsContact CE-CZ 3.49Å; M307-F342 HydrophobicContact CG-CE1 4.3Å; M307-F342 HydrophobicContact CG-CZ 4.43Å
308W98.8Very high92.2Very high2 Ų244.1 Ų44.11%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-134.1149.7179.9-59.782.1000111.1I211 K215 M254 M257 F258 A296 E297 F298 I321 A322 F342I211-W308 HydrophobicContact CG2-CZ2 4.16Å; K215-W308 HydrophobicContact CB-CH2 3.72Å; K215-W308 HydrophobicContact CB-CZ2 3.81Å; M254-W308 HydrophobicContact CE-CD2 3.67Å; M254-W308 HydrophobicContact CE-CE3 4.22Å; M254-W308 HydrophobicContact CE-CG 3.87Å; M254-W308 HydrophobicContact CE-CZ2 3.99Å; M257-W308 HydrophobicContact CE-CB 4.04Å; F258-W308 HydrophobicContact CE1-CE3 4.01Å; F258-W308 AromaticContact CE1-CH2 3.81Å; F258-W308 HydrophobicContact CE1-CH2 3.81Å; F258-W308 HydrophobicContact CE1-CZ2 4.43Å; F258-W308 AromaticContact CE1-CZ3 3.59Å; F258-W308 HydrophobicContact CE1-CZ3 3.59Å; F258-W308 HydrophobicContact CZ-CH2 4.03Å; F258-W308 HydrophobicContact CZ-CZ2 4.4Å; F258-W308 HydrophobicContact CZ-CZ3 4.29Å; A296-W308 HydrophobicContact CB-CE3 4.42Å; E297-W308 VanDerWaalsContact C-CE3 3.49Å; E297-W308 WeakPolarHBondContact O-CA 3.49Å; F298-W308 VanDerWaalsContact CA-CE3 3.44Å; F298-W308 HydrophobicContact CB-CD2 4.24Å; F298-W308 HydrophobicContact CB-CE3 3.82Å; F298-W308 HydrophobicContact CB-CH2 3.86Å; F298-W308 HydrophobicContact CB-CZ2 4.27Å; F298-W308 HydrophobicContact CB-CZ3 3.59Å; F298-W308 HydrophobicContact CD2-CD2 4.25Å; F298-W308 AromaticContact CD2-CE2 3.84Å; F298-W308 HydrophobicContact CD2-CH2 4.34Å; F298-W308 AromaticContact CD2-CZ2 3.91Å; F298-W308 HydrophobicContact CD2-CZ2 3.91Å; W308-I321 WeakPolarHBondContact O-CA 3.33Å; W308-A322 HydrophobicContact CB-CB 4.26Å; W308-A322 PolarHBondContact N-O 3.06Å; W308-A322 PolarHBondContact O-N 3.41Å; W308-F342 WeakPolarHBondContact O-CD1 3.04Å
309V98.4Very high92.1Very high0 Ų043.5 Ų43.50%024%0.239CC..EExtended strand (participates in β ladder)trans-136.9137.5177.463.80000111A296 E297 V299 W319 I321 F342 Y347 I349A296-V309 WeakPolarHBondContact CA-O 2.96Å; E297-V309 PolarHBondContact N-O 2.94Å; E297-V309 PolarHBondContact O-N 2.71Å; V299-V309 HydrophobicContact CG2-CB 4.13Å; V299-V309 HydrophobicContact CG2-CG1 3.65Å; V309-W319 HydrophobicContact CG2-CB 4.47Å; V309-I321 HydrophobicContact CB-CG2 4.45Å; V309-I321 HydrophobicContact CG2-CG2 4.13Å; V309-F342 HydrophobicContact CB-CB 4.41Å; V309-F342 HydrophobicContact CB-CD1 4.46Å; V309-Y347 HydrophobicContact CG1-CD2 4.36Å; V309-I349 HydrophobicContact CG2-CG1 4.42Å
310R97.8Very high92.1Very high0 Ų042.2 Ų42.20%023%0.232CC..EExtended strand (participates in β ladder)trans-131.5121.2176.2179.9178.8172.7160.39.8109.4C256 M257 S259 I287 H294 A296 L312 W319 A320C256-R310 PolarHBondContact O-NH1 3.48Å; M257-R310 HydrophobicContact CE-CB 3.81Å; M257-R310 WeakPolarHBondContact O-CD 3.17Å; M257-R310 HydrophobicContact SD-CB 4.08Å; S259-R310 VanDerWaalsContact CA-NH1 3.32Å; S259-R310 VanDerWaalsContact CB-NH1 3.35Å; S259-R310 PolarHBondContact OG-NH2 2.84Å; I287-R310 PolarHBondContact O-NH1 3.09Å; I287-R310 PolarHBondContact O-NH2 2.91Å; H294-R310 WeakPolarHBondContact O-CD 3.34Å; H294-R310 WeakPolarHBondContact O-CG 3.43Å; H294-R310 PolarHBondContact O-NE 3.26Å; H294-R310 PolarHBondContact O-NH2 3.47Å; A296-R310 HydrophobicContact CB-CB 3.95Å; R310-L312 HydrophobicContact CG-CD2 4Å; R310-W319 CarbonylContact O-C 3.46Å; R310-W319 VanDerWaalsContact O-CA 3.23Å; R310-W319 WeakPolarHBondContact O-CA 3.28Å; R310-A320 HydrophobicContact CB-CB 4.42Å; R310-A320 PolarHBondContact N-O 2.77Å; R310-A320 PolarHBondContact O-N 3.18Å
311P96.4Very high92.1Very high18 Ų1839.1 Ų39.112%0.11722%0.218CC..EExtended strand (participates in β ladder)trans-71.6148.7167.432.2-34.5000110H294 Y347H294-P311 HydrophobicContact CB-CG 3.78Å; P311-Y347 HydrophobicContact CG-CD1 3.7Å; P311-Y347 HydrophobicContact CG-CD2 4.15Å; P311-Y347 HydrophobicContact CG-CE1 3.58Å; P311-Y347 HydrophobicContact CG-CE2 3.99Å; P311-Y347 HydrophobicContact CG-CG 4Å
312L96.3Very high92.2Very high3 Ų336.4 Ų36.42%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-131.3129.1-178.3-62.6177.1000108.9I287 D290 R310 G318 A320 R387I287-L312 HydrophobicContact CG1-CD1 4.09Å; I287-L312 HydrophobicContact CG2-CD2 4.38Å; D290-L312 HydrophobicContact CB-CD2 3.68Å; R310-L312 HydrophobicContact CG-CD2 4Å; L312-G318 PolarHBondContact N-O 3.22Å; L312-G318 PolarHBondContact O-N 3.22Å; L312-G318 VanDerWaalsContact O-N 3.16Å; L312-A320 HydrophobicContact CD1-CB 3.88Å; L312-R387 VanDerWaalsContact CB-NH2 3.34Å
313D90.4Very high92.3Very high88 Ų8833.5 Ų33.547%0.47119%0.186SC..  trans-96.5-12.7-177.2-67.5-13.6000112.6D290 G292 H294D290-D313 PolarHBondContact OD1-N 3.3Å; D290-D313 VanDerWaalsContact OD1-N 3.13Å; D290-D313 PolarHBondContact OD2-N 2.88Å; D290-D313 VanDerWaalsContact OD2-N 3.08Å; G292-D313 WeakPolarHBondContact CA-OD2 3.3Å; H294-D313 IonicContact CD2-OD1 2.75Å; H294-D313 IonicContact CD2-OD2 3.79Å; H294-D313 IonicContact CE1-OD2 3.09Å; H294-D313 IonicContact NE2-OD1 3.74Å; H294-D313 IonicContact NE2-OD2 2.77Å; H294-D313 PolarHBondContact NE2-OD2 3.38Å
314G70.5Confident92.4Very high24 Ų2428.3 Ų28.325%0.24716%0.158CC..SBendtrans-69.7157.317500000113D290 P316 I317D290-G314 WeakPolarHBondContact OD1-CA 3.14Å; D290-G314 PolarHBondContact OD1-N 2.04Å; G314-P316 CarbonylContact O-C 3.56Å; G314-I317 VanDerWaalsContact O-CA 3.27Å; G314-I317 WeakPolarHBondContact O-CA 3.21Å; G314-I317 PolarHBondContact O-N 3.49Å
315D64Low92.5Very high165 Ų16524.4 Ų24.488%0.88214%0.137SC*.SBendtrans-74.9125.6178.8-17621000111.8
316P69.1Low92.4Very high49 Ų4926.2 Ų26.232%0.31815%0.148SC..SBendcis-79.4135.9-3.731.4-33.2000111.3G314 R387 R389G314-P316 CarbonylContact O-C 3.56Å; P316-R387 PolarHBondContact O-NH2 2.92Å; P316-R389 HydrophobicContact CG-CG 4.08Å
317I83.9Confident92.3Very high122 Ų12228.1 Ų28.163%0.62616%0.16SC*.PPolyproline II helixtrans-55141.8176.7-66.3169000109.9G314G314-I317 VanDerWaalsContact O-CA 3.27Å; G314-I317 WeakPolarHBondContact O-CA 3.21Å; G314-I317 PolarHBondContact O-N 3.49Å
318G93.5Very high91.9Very high2 Ų233.4 Ų33.42%0.02119%0.188CC..EExtended strand (participates in β ladder)trans170.9-14117700000113.1L312L312-G318 PolarHBondContact N-O 3.22Å; L312-G318 PolarHBondContact O-N 3.22Å; L312-G318 VanDerWaalsContact O-N 3.16Å
319W97.1Very high91.5Very high19 Ų1935.1 Ų35.17%0.07221%0.206CC..EExtended strand (participates in β ladder)trans-132.1157.8176.7-53.9-98.4000112.7V309 R310 I349 S350 F354 R387 V388 R390V309-W319 HydrophobicContact CG2-CB 4.47Å; R310-W319 CarbonylContact O-C 3.46Å; R310-W319 VanDerWaalsContact O-CA 3.23Å; R310-W319 WeakPolarHBondContact O-CA 3.28Å; W319-I349 HydrophobicContact CB-CG1 4.42Å; W319-I349 HydrophobicContact CD2-CB 4.34Å; W319-I349 HydrophobicContact CD2-CG1 3.93Å; W319-I349 HydrophobicContact CD2-CG2 4.18Å; W319-I349 HydrophobicContact CE3-CG1 4.45Å; W319-I349 HydrophobicContact CE3-CG2 3.92Å; W319-I349 HydrophobicContact CG-CD1 4.46Å; W319-I349 HydrophobicContact CG-CG1 3.88Å; W319-I349 HydrophobicContact CH2-CG2 4.22Å; W319-I349 HydrophobicContact CZ2-CG2 4.48Å; W319-I349 HydrophobicContact CZ3-CG2 3.97Å; W319-S350 VanDerWaalsContact CH2-O 3.3Å; W319-S350 WeakPolarHBondContact CH2-O 3.49Å; W319-F354 HydrophobicContact CE3-CE1 4.47Å; W319-F354 HydrophobicContact CH2-CE1 4.39Å; W319-F354 HydrophobicContact CZ3-CD1 4.42Å; W319-F354 AromaticContact CZ3-CE1 3.74Å; W319-F354 HydrophobicContact CZ3-CE1 3.74Å; W319-R387 PolarHBondContact O-NH1 2.8Å; W319-V388 HydrophobicContact CB-CB 4.19Å; W319-V388 HydrophobicContact CB-CG2 4.41Å; W319-V388 HydrophobicContact CE3-CB 4.44Å; W319-V388 HydrophobicContact CE3-CG1 4.3Å; W319-V388 PolarHBondContact N-O 2.79Å; W319-V388 PolarHBondContact O-N 3.22Å; W319-R390 HydrophobicContact CZ3-CG 4.24Å
320A98Very high91.2Very high0 Ų039 Ų390%025%0.247CC..EExtended strand (participates in β ladder)trans-106.3138.3155.800000108.3M257 I287 R310 L312 Y386M257-A320 HydrophobicContact CE-CB 4.4Å; M257-A320 HydrophobicContact SD-CB 3.66Å; I287-A320 HydrophobicContact CD1-CB 4.02Å; I287-A320 HydrophobicContact CG1-CB 4.28Å; I287-A320 HydrophobicContact CG2-CB 4.15Å; R310-A320 HydrophobicContact CB-CB 4.42Å; R310-A320 PolarHBondContact N-O 2.77Å; R310-A320 PolarHBondContact O-N 3.18Å; L312-A320 HydrophobicContact CD1-CB 3.88Å; A320-Y386 WeakPolarHBondContact CA-O 3.25Å
321I98.5Very high91.1Very high0 Ų041.2 Ų41.20%027%0.269CS..EExtended strand (participates in β ladder)trans-122.2147.6172.160170.9000109.5W308 V309 L339 F342 I349 M385 Y386 V388W308-I321 WeakPolarHBondContact O-CA 3.33Å; V309-I321 HydrophobicContact CB-CG2 4.45Å; V309-I321 HydrophobicContact CG2-CG2 4.13Å; I321-L339 HydrophobicContact CD1-CD2 3.81Å; I321-F342 HydrophobicContact CB-CD1 3.78Å; I321-F342 HydrophobicContact CB-CE1 3.66Å; I321-F342 HydrophobicContact CB-CG 4.29Å; I321-F342 HydrophobicContact CB-CZ 4.07Å; I321-F342 HydrophobicContact CD1-CD2 4.21Å; I321-F342 HydrophobicContact CD1-CE1 4.32Å; I321-F342 HydrophobicContact CD1-CE2 3.78Å; I321-F342 HydrophobicContact CD1-CZ 3.84Å; I321-F342 HydrophobicContact CG1-CE1 4.48Å; I321-F342 HydrophobicContact CG1-CZ 4.41Å; I321-F342 HydrophobicContact CG2-CB 4.13Å; I321-F342 HydrophobicContact CG2-CD1 3.6Å; I321-F342 HydrophobicContact CG2-CD2 4.35Å; I321-F342 HydrophobicContact CG2-CE1 4.04Å; I321-F342 HydrophobicContact CG2-CG 3.77Å; I321-I349 HydrophobicContact CG2-CD1 3.98Å; I321-M385 VanDerWaalsContact O-CA 3.3Å; I321-M385 WeakPolarHBondContact O-CA 3.48Å; I321-Y386 HydrophobicContact CD1-CD2 4.13Å; I321-Y386 HydrophobicContact CG1-CD2 4.19Å; I321-Y386 PolarHBondContact N-O 2.76Å; I321-Y386 PolarHBondContact O-N 3.44Å; I321-V388 HydrophobicContact CB-CG2 4.42Å; I321-V388 HydrophobicContact CD1-CG2 3.98Å; I321-V388 HydrophobicContact CG1-CG2 3.81Å; I321-V388 HydrophobicContact CG2-CG2 3.9Å
322A98.8Very high91.1Very high0 Ų043.9 Ų43.90%029%0.286CS..EExtended strand (participates in β ladder)trans-133.8138.617600000111.7M254 M257 M307 W308 I383 M384 M385M254-A322 HydrophobicContact SD-CB 4.45Å; M257-A322 HydrophobicContact CE-CB 4.1Å; M257-A322 HydrophobicContact CG-CB 4.18Å; M307-A322 WeakPolarHBondContact CA-O 3.38Å; W308-A322 HydrophobicContact CB-CB 4.26Å; W308-A322 PolarHBondContact N-O 3.06Å; W308-A322 PolarHBondContact O-N 3.41Å; A322-I383 HydrophobicContact CB-CD1 4.04Å; A322-I383 HydrophobicContact CB-CG1 4.37Å; A322-M384 WeakPolarHBondContact CA-O 3.41Å; A322-M385 HydrophobicContact CB-CG 3.86Å
323C98.7Very high91.2Very high1 Ų145.3 Ų45.31%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-119108.9170.3-66.90000108.5V305 Q306 I376 I378 I383 M384V305-C323 HydrophobicContact CG1-CB 3.78Å; Q306-C323 WeakPolarHBondContact O-CA 3.05Å; C323-I376 HydrophobicContact CB-CD1 4.33Å; C323-I376 VanDerWaalsContact SG-CD1 3.55Å; C323-I378 HydrophobicContact CB-CD1 3.51Å; C323-I383 WeakPolarHBondContact O-CA 3.42Å; C323-M384 PolarHBondContact N-O 2.87Å; C323-M384 PolarHBondContact O-N 3.25Å
324L98.6Very high91.6Very high0 Ų046.6 Ų46.60%030%0.297CS..EExtended strand (participates in β ladder)trans-104.4116.5-179.9164.461.8000109.6W204 I208 I211 V250 M254 V305 Q306 T326 G382 I383W204-L324 HydrophobicContact CH2-CD1 4.5Å; I208-L324 HydrophobicContact CD1-CD2 4.14Å; I211-L324 HydrophobicContact CD1-CD2 4.28Å; I211-L324 HydrophobicContact CG2-CD2 3.84Å; V250-L324 HydrophobicContact CB-CD1 4.19Å; V250-L324 HydrophobicContact CG1-CD1 3.57Å; V250-L324 HydrophobicContact CG1-CD2 4.19Å; V250-L324 HydrophobicContact CG2-CD1 3.48Å; V250-L324 VanDerWaalsContact CG2-CD1 3.48Å; M254-L324 HydrophobicContact CG-CD2 4.43Å; V305-L324 CarbonylContact C-O 3.55Å; V305-L324 VanDerWaalsContact CA-O 3.27Å; V305-L324 WeakPolarHBondContact CA-O 3.44Å; Q306-L324 HydrophobicContact CB-CB 4.34Å; Q306-L324 PolarHBondContact N-O 2.77Å; Q306-L324 PolarHBondContact O-N 2.86Å; L324-T326 HydrophobicContact CD2-CG2 4.19Å; L324-T326 HydrophobicContact CG-CG2 3.98Å; L324-G382 WeakPolarHBondContact CD1-O 3.37Å; L324-I383 HydrophobicContact CB-CG1 4.38Å; L324-I383 HydrophobicContact CD1-CB 4.45Å
325F98.4Very high92.9Very high15 Ų1545.5 Ų45.57%0.06629%0.285CS..EExtended strand (participates in β ladder)trans-86.1110.8173.6-174.7-148.4000109.6D304 V305 T327 I333 I378 N379 P380 S381 G382D304-F325 HydrophobicContact CB-CD2 4.2Å; D304-F325 HydrophobicContact CB-CE2 3.97Å; V305-F325 HydrophobicContact CG2-CB 4.31Å; V305-F325 HydrophobicContact CG2-CD2 3.96Å; V305-F325 HydrophobicContact CG2-CG 4.44Å; F325-T327 WeakPolarHBondContact CE2-OG1 3.42Å; F325-T327 HydrophobicContact CZ-CG2 4.29Å; F325-I333 HydrophobicContact CB-CG2 4.22Å; F325-I333 HydrophobicContact CD1-CB 4.24Å; F325-I333 HydrophobicContact CD1-CG2 3.61Å; F325-I333 HydrophobicContact CD2-CG2 3.89Å; F325-I333 HydrophobicContact CE1-CB 3.94Å; F325-I333 HydrophobicContact CE1-CG2 3.84Å; F325-I333 HydrophobicContact CE2-CB 4.29Å; F325-I333 HydrophobicContact CE2-CD1 4.13Å; F325-I333 HydrophobicContact CE2-CG2 4.08Å; F325-I333 HydrophobicContact CG-CG2 3.66Å; F325-I333 HydrophobicContact CZ-CB 3.97Å; F325-I333 HydrophobicContact CZ-CD1 4.44Å; F325-I333 HydrophobicContact CZ-CG2 4.07Å; F325-I378 HydrophobicContact CB-CB 4.06Å; F325-I378 HydrophobicContact CB-CG2 3.61Å; F325-N379 WeakPolarHBondContact CD1-O 3.24Å; F325-P380 HydrophobicContact CE1-CG 4.36Å; F325-S381 WeakPolarHBondContact O-CA 3.03Å; F325-S381 PolarHBondContact O-N 3.01Å; F325-G382 PolarHBondContact N-O 3.28Å
326T96.9Very high94.5Very high38 Ų3843.9 Ų43.923%0.23327%0.267CS..  trans-84.2-12-169.256.20000114.5I208 D304 Q306 L324I208-T326 HydrophobicContact CD1-CG2 4.08Å; D304-T326 PolarHBondContact O-N 2.7Å; D304-T326 PolarHBondContact O-OG1 2.02Å; Q306-T326 HydrophobicContact CG-CG2 3.74Å; L324-T326 HydrophobicContact CD2-CG2 4.19Å; L324-T326 HydrophobicContact CG-CG2 3.98Å
327T95.3Very high95.9Very high45 Ų4541.5 Ų41.528%0.27625%0.252SS..  trans-72.3127.5174.9-54.20000109.1D304 F325 G329 P380 S381D304-T327 WeakPolarHBondContact CB-OG1 3.03Å; D304-T327 PolarHBondContact OD2-OG1 2.94Å; F325-T327 WeakPolarHBondContact CE2-OG1 3.42Å; F325-T327 HydrophobicContact CZ-CG2 4.29Å; T327-G329 WeakPolarHBondContact CG2-O 3.35Å; T327-P380 CarbonylContact O-C 3.5Å; T327-P380 WeakPolarHBondContact O-CA 3.36Å; T327-P380 WeakPolarHBondContact O-CB 3.16Å; T327-S381 PolarHBondContact O-N 2.77Å
328D90.5Very high96.5Very high111 Ų11136 Ų3659%0.59423%0.225SC*.  trans-100.75.2-176.860.4-2000113.8
329G89.7Confident96.7Very high38 Ų3836 Ų3639%0.39222%0.224SC..SBendtrans-126.4168.4173.900000113.1T327T327-G329 WeakPolarHBondContact CG2-O 3.35Å
330G92.8Very high96.7Very high82 Ų8238.4 Ų38.485%0.84524%0.238SC*.SBendtrans87.2-149.2179.200000113.5
331G95.7Very high96.7Very high45 Ų4540.5 Ų40.546%0.46425%0.248SC..SBendtrans-117.8179.2179.900000112.5P380G331-P380 WeakPolarHBondContact O-CG 3.43Å
332P97.3Very high96.6Very high75 Ų7540.5 Ų40.549%0.48725%0.248SC..  trans-58.4143.4178.5-23.133.7000112.7I378 N379P332-I378 CarbonylContact C-O 3.52Å; P332-I378 WeakPolarHBondContact CA-O 3.33Å; P332-N379 WeakPolarHBondContact CG-OD1 2.88Å
333I97.9Very high96.5Very high33 Ų3344.9 Ų44.917%0.16927%0.267CS..EExtended strand (participates in β ladder)trans-95.3139.2172-170.9170000110.6N303 V305 F325 S377 I378N303-I333 HydrophobicContact CB-CD1 3.9Å; N303-I333 WeakPolarHBondContact O-CD1 3.3Å; V305-I333 HydrophobicContact CG2-CD1 4.27Å; V305-I333 HydrophobicContact CG2-CG2 4.06Å; F325-I333 HydrophobicContact CB-CG2 4.22Å; F325-I333 HydrophobicContact CD1-CB 4.24Å; F325-I333 HydrophobicContact CD1-CG2 3.61Å; F325-I333 HydrophobicContact CD2-CG2 3.89Å; F325-I333 HydrophobicContact CE1-CB 3.94Å; F325-I333 HydrophobicContact CE1-CG2 3.84Å; F325-I333 HydrophobicContact CE2-CB 4.29Å; F325-I333 HydrophobicContact CE2-CD1 4.13Å; F325-I333 HydrophobicContact CE2-CG2 4.08Å; F325-I333 HydrophobicContact CG-CG2 3.66Å; F325-I333 HydrophobicContact CZ-CB 3.97Å; F325-I333 HydrophobicContact CZ-CD1 4.44Å; F325-I333 HydrophobicContact CZ-CG2 4.07Å; I333-S377 WeakPolarHBondContact O-CA 3.26Å; I333-I378 HydrophobicContact CG2-CB 4.02Å; I333-I378 PolarHBondContact N-O 3.24Å; I333-I378 PolarHBondContact O-N 2.85Å
334H97.8Very high96.3Very high114 Ų11445.7 Ų45.753%0.52827%0.273SS..EExtended strand (participates in β ladder)trans-92.496.5166.3-64.3-34.6000109.6Y336 M375H334-Y336 HydrophobicContact CB-CE2 4.28Å; H334-Y336 WeakPolarHBondContact O-CD2 3.44Å; H334-M375 HydrophobicContact CB-CG 4.01Å; H334-M375 HydrophobicContact CB-SD 3.76Å
335F98.1Very high96Very high1 Ų150.1 Ų50.10%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-92.8119.4-175.4-177.5-109.8000111.3Q302 V305 M307 T337 M375 I376 I378Q302-F335 HydrophobicContact CB-CE2 3.97Å; Q302-F335 HydrophobicContact CB-CZ 4.39Å; Q302-F335 HydrophobicContact CG-CE2 4.01Å; V305-F335 HydrophobicContact CB-CD2 3.81Å; V305-F335 HydrophobicContact CB-CE2 3.81Å; V305-F335 HydrophobicContact CB-CG 4.24Å; V305-F335 HydrophobicContact CB-CZ 4.22Å; V305-F335 HydrophobicContact CG1-CD1 4.08Å; V305-F335 HydrophobicContact CG1-CD2 4.16Å; V305-F335 HydrophobicContact CG1-CE1 4.06Å; V305-F335 HydrophobicContact CG1-CE2 4.15Å; V305-F335 HydrophobicContact CG1-CG 4.13Å; V305-F335 HydrophobicContact CG1-CZ 4.11Å; V305-F335 HydrophobicContact CG2-CB 4.3Å; V305-F335 HydrophobicContact CG2-CD2 3.69Å; V305-F335 HydrophobicContact CG2-CE2 4.21Å; V305-F335 HydrophobicContact CG2-CG 4.02Å; M307-F335 HydrophobicContact CG-CE1 4.08Å; M307-F335 HydrophobicContact CG-CZ 3.95Å; M307-F335 HydrophobicContact SD-CE1 4.07Å; M307-F335 HydrophobicContact SD-CZ 3.69Å; F335-T337 HydrophobicContact CD1-CG2 4.22Å; F335-T337 HydrophobicContact CE1-CG2 3.84Å; F335-M375 CarbonylContact O-C 3.55Å; F335-M375 WeakPolarHBondContact O-CA 3.33Å; F335-I376 HydrophobicContact CD1-CD1 4.41Å; F335-I376 PolarHBondContact N-O 3.12Å; F335-I376 PolarHBondContact O-N 3.44Å; F335-I378 HydrophobicContact CB-CD1 4.1Å
336Y98Very high95.7Very high131 Ų13152.8 Ų52.851%0.51431%0.314SS..EExtended strand (participates in β ladder)trans-99.8128.2179.2-66-97.3000111H334 F374 M375H334-Y336 HydrophobicContact CB-CE2 4.28Å; H334-Y336 WeakPolarHBondContact O-CD2 3.44Å; Y336-F374 WeakPolarHBondContact CA-O 3.43Å; Y336-M375 HydrophobicContact CD1-CB 3.91Å; Y336-M375 HydrophobicContact CD1-CG 4.16Å; Y336-M375 HydrophobicContact CD2-CG 4.37Å; Y336-M375 HydrophobicContact CE1-CB 3.73Å; Y336-M375 HydrophobicContact CE1-CE 4.04Å; Y336-M375 HydrophobicContact CE1-CG 3.81Å; Y336-M375 HydrophobicContact CE2-CG 4.02Å; Y336-M375 HydrophobicContact CG-CG 4.45Å; Y336-M375 WeakPolarHBondContact OH-CE 3.39Å
337T98Very high95.7Very high0 Ų052.6 Ų52.60%031%0.309CS..EExtended strand (participates in β ladder)trans-154.1-178.5178.5-164.30000111.6M307 F335 F342 K373 F374 I376M307-T337 HydrophobicContact CE-CG2 4.49Å; M307-T337 WeakPolarHBondContact CE-OG1 3.42Å; F335-T337 HydrophobicContact CD1-CG2 4.22Å; F335-T337 HydrophobicContact CE1-CG2 3.84Å; T337-F342 HydrophobicContact CG2-CE2 3.8Å; T337-F342 HydrophobicContact CG2-CZ 4.35Å; T337-K373 CarbonylContact O-C 3.59Å; T337-K373 WeakPolarHBondContact O-CA 3.35Å; T337-F374 HydrophobicContact CG2-CE2 3.89Å; T337-F374 HydrophobicContact CG2-CZ 3.91Å; T337-F374 PolarHBondContact N-O 3.21Å; T337-F374 PolarHBondContact O-N 2.95Å; T337-I376 HydrophobicContact CG2-CD1 4.2Å
338S97.6Very high95.6Very high7 Ų758.3 Ų58.35%0.04933%0.326CS..  trans-139.8163.4173.162.40000110.5D340 E341 F342 Q372S338-D340 VanDerWaalsContact C-N 3.26Å; S338-D340 PolarHBondContact O-N 3.22Å; S338-E341 PolarHBondContact N-OE1 3.27Å; S338-E341 VanDerWaalsContact N-OE1 3.14Å; S338-E341 WeakPolarHBondContact O-CB 3.44Å; S338-E341 PolarHBondContact O-N 3.42Å; S338-E341 VanDerWaalsContact O-N 3.13Å; S338-E341 WeakPolarHBondContact OG-CG 3.31Å; S338-E341 PolarHBondContact OG-OE1 3.08Å; S338-F342 WeakPolarHBondContact O-CD2 3.45Å; S338-Q372 WeakPolarHBondContact CB-O 3.49Å
339L97.6Very high95.7Very high1 Ų153.6 Ų53.61%0.00530%0.3CS..G310 helixtrans-67.4-26.5178.6-65.3176.2000113.1I321 E341 F342 I349 F354 L356 V368 R370 F374 V388I321-L339 HydrophobicContact CD1-CD2 3.81Å; L339-E341 PolarHBondContact O-N 3.25Å; L339-F342 PolarHBondContact O-N 2.86Å; L339-I349 HydrophobicContact CB-CD1 4.28Å; L339-I349 HydrophobicContact CD2-CD1 4.02Å; L339-F354 HydrophobicContact CD1-CB 3.65Å; L339-F354 HydrophobicContact CD1-CD2 3.49Å; L339-F354 VanDerWaalsContact CD1-CD2 3.49Å; L339-F354 HydrophobicContact CD1-CE2 4.28Å; L339-F354 HydrophobicContact CD1-CG 3.65Å; L339-L356 HydrophobicContact CD1-CD2 4.18Å; L339-L356 HydrophobicContact CD2-CD2 3.93Å; L339-V368 HydrophobicContact CD1-CG2 3.73Å; L339-V368 HydrophobicContact CG-CG2 4.19Å; L339-R370 CarbonylContact C-O 3.57Å; L339-R370 HydrophobicContact CB-CG 4.27Å; L339-R370 PolarHBondContact N-O 2.7Å; L339-R370 VanDerWaalsContact N-O 3.1Å; L339-F374 HydrophobicContact CD2-CE1 4.39Å; L339-F374 HydrophobicContact CD2-CZ 4.27Å; L339-F374 HydrophobicContact CG-CE1 4.17Å; L339-V388 HydrophobicContact CD1-CG1 3.95Å; L339-V388 HydrophobicContact CD2-CG1 4.24Å; L339-V388 HydrophobicContact CD2-CG2 4.13Å
340D96.5Very high95.7Very high69 Ų6954.5 Ų54.537%0.36930%0.301SS..G310 helixtrans-61.7-28.8172.7-175.159.1000112.5S338 F342 R370 T371S338-D340 VanDerWaalsContact C-N 3.26Å; S338-D340 PolarHBondContact O-N 3.22Å; D340-F342 VanDerWaalsContact C-N 3.33Å; D340-R370 HydrophobicContact CB-CG 4.36Å; D340-R370 PolarHBondContact N-O 3.05Å; D340-R370 IonicContact OD1-CZ 3.83Å; D340-R370 IonicContact OD1-NH1 2.59Å; D340-R370 PolarHBondContact OD1-NH1 3.43Å; D340-T371 HydrophobicContact CB-CG2 4.24Å
341E97.5Very high95.6Very high44 Ų4451.8 Ų51.821%0.20627%0.273CS..G310 helixtrans-76.2-18.2177.5-66.6176.2-113.100113.1V299 K300 M307 S338 L339 K343V299-E341 WeakPolarHBondContact CG1-O 3.48Å; K300-E341 IonicContact NZ-OE2 2.74Å; K300-E341 PolarHBondContact NZ-OE2 3.3Å; M307-E341 HydrophobicContact CE-CB 4.01Å; S338-E341 PolarHBondContact N-OE1 3.27Å; S338-E341 VanDerWaalsContact N-OE1 3.14Å; S338-E341 WeakPolarHBondContact O-CB 3.44Å; S338-E341 PolarHBondContact O-N 3.42Å; S338-E341 VanDerWaalsContact O-N 3.13Å; S338-E341 WeakPolarHBondContact OG-CG 3.31Å; S338-E341 PolarHBondContact OG-OE1 3.08Å; L339-E341 PolarHBondContact O-N 3.25Å; E341-K343 PolarHBondContact O-N 2.78Å
342F97.6Very high95.3Very high1 Ų155.5 Ų55.50%0.00428%0.282CS..  trans-81.466.1174.6-74.2-89000111.4V299 M307 W308 V309 I321 T337 S338 L339 D340 I349V299-F342 HydrophobicContact CG2-CD1 4.4Å; M307-F342 HydrophobicContact CB-CD1 4.41Å; M307-F342 HydrophobicContact CB-CE1 3.94Å; M307-F342 HydrophobicContact CE-CD1 3.98Å; M307-F342 HydrophobicContact CE-CD2 3.73Å; M307-F342 HydrophobicContact CE-CE1 3.73Å; M307-F342 HydrophobicContact CE-CE2 3.48Å; M307-F342 VanDerWaalsContact CE-CE2 3.48Å; M307-F342 HydrophobicContact CE-CG 3.99Å; M307-F342 HydrophobicContact CE-CZ 3.49Å; M307-F342 VanDerWaalsContact CE-CZ 3.49Å; M307-F342 HydrophobicContact CG-CE1 4.3Å; M307-F342 HydrophobicContact CG-CZ 4.43Å; W308-F342 WeakPolarHBondContact O-CD1 3.04Å; V309-F342 HydrophobicContact CB-CB 4.41Å; V309-F342 HydrophobicContact CB-CD1 4.46Å; I321-F342 HydrophobicContact CB-CD1 3.78Å; I321-F342 HydrophobicContact CB-CE1 3.66Å; I321-F342 HydrophobicContact CB-CG 4.29Å; I321-F342 HydrophobicContact CB-CZ 4.07Å; I321-F342 HydrophobicContact CD1-CD2 4.21Å; I321-F342 HydrophobicContact CD1-CE1 4.32Å; I321-F342 HydrophobicContact CD1-CE2 3.78Å; I321-F342 HydrophobicContact CD1-CZ 3.84Å; I321-F342 HydrophobicContact CG1-CE1 4.48Å; I321-F342 HydrophobicContact CG1-CZ 4.41Å; I321-F342 HydrophobicContact CG2-CB 4.13Å; I321-F342 HydrophobicContact CG2-CD1 3.6Å; I321-F342 HydrophobicContact CG2-CD2 4.35Å; I321-F342 HydrophobicContact CG2-CE1 4.04Å; I321-F342 HydrophobicContact CG2-CG 3.77Å; T337-F342 HydrophobicContact CG2-CE2 3.8Å; T337-F342 HydrophobicContact CG2-CZ 4.35Å; S338-F342 WeakPolarHBondContact O-CD2 3.45Å; L339-F342 PolarHBondContact O-N 2.86Å; D340-F342 VanDerWaalsContact C-N 3.33Å; F342-I349 HydrophobicContact CB-CD1 3.87Å
343K95.4Very high95.2Very high92 Ų9257.1 Ų57.140%0.428%0.281SS..BIsolated β-bridgetrans-129.1113-176.1-163.9-177.9177.6178.20109.8E341 R348E341-K343 PolarHBondContact O-N 2.78Å; K343-R348 HydrophobicContact CD-CG 4.41Å; K343-R348 VanDerWaalsContact CE-CD 3.45Å; K343-R348 HydrophobicContact CG-CB 4.4Å; K343-R348 HydrophobicContact CG-CG 3.86Å
344S95Very high95.1Very high17 Ų1755.5 Ų55.512%0.11927%0.273CS..  trans-102.1-168.6-179.666.10000111.1E297 S346 Y347E297-S344 WeakPolarHBondContact OE2-CB 3.44Å; E297-S344 PolarHBondContact OE2-OG 3.25Å; S344-S346 VanDerWaalsContact C-N 3.32Å; S344-S346 PolarHBondContact O-N 3.02Å; S344-Y347 PolarHBondContact N-O 2.76Å; S344-Y347 WeakPolarHBondContact OG-CB 3.16Å; S344-Y347 PolarHBondContact OG-N 3.13Å
345Q91.9Very high95Very high93 Ų9352.3 Ų52.344%0.43526%0.258SS..SBendtrans-60.7-41.3177.160.9-177.7100111.7N218 E297N218-Q345 PolarHBondContact O-NE2 2.75Å; E297-Q345 VanDerWaalsContact CD-CG 3.45Å; E297-Q345 VanDerWaalsContact OE1-CG 3.23Å; E297-Q345 WeakPolarHBondContact OE1-CG 3.38Å; E297-Q345 PolarHBondContact OE1-NE2 3.08Å; E297-Q345 WeakPolarHBondContact OE2-CG 3.39Å; E297-Q345 PolarHBondContact OE2-N 2.75Å
346S93.8Very high95Very high71 Ų7152.3 Ų52.350%0.49726%0.258SS..SBendtrans-112.6-22.1-173.7-67.60000113.2E297 S344E297-S346 WeakPolarHBondContact OE1-CB 3.48Å; E297-S346 PolarHBondContact OE1-OG 2.72Å; E297-S346 PolarHBondContact OE2-N 3.26Å; S344-S346 VanDerWaalsContact C-N 3.32Å; S344-S346 PolarHBondContact O-N 3.02Å
347Y95Very high94.9Very high34 Ų3446.6 Ų46.613%0.13324%0.237CC..  trans-112.5137.3-171.4-50.5-38.4000112.8Q295 E297 V309 P311 S344Q295-Y347 WeakPolarHBondContact O-CE2 3.49Å; Q295-Y347 PolarHBondContact O-OH 3.35Å; E297-Y347 HydrophobicContact CB-CD2 3.93Å; E297-Y347 HydrophobicContact CB-CE2 4.11Å; E297-Y347 HydrophobicContact CG-CD2 3.77Å; E297-Y347 HydrophobicContact CG-CE2 3.52Å; V309-Y347 HydrophobicContact CG1-CD2 4.36Å; P311-Y347 HydrophobicContact CG-CD1 3.7Å; P311-Y347 HydrophobicContact CG-CD2 4.15Å; P311-Y347 HydrophobicContact CG-CE1 3.58Å; P311-Y347 HydrophobicContact CG-CE2 3.99Å; P311-Y347 HydrophobicContact CG-CG 4Å; S344-Y347 PolarHBondContact N-O 2.76Å; S344-Y347 WeakPolarHBondContact OG-CB 3.16Å; S344-Y347 PolarHBondContact OG-N 3.13Å
348R93.4Very high94.9Very high166 Ų16647.5 Ų47.563%0.62624%0.242SC*.BIsolated β-bridgetrans-137.4132.3175.1-50-172.6168.7-164.6-1.6108.6K343 S350K343-R348 HydrophobicContact CD-CG 4.41Å; K343-R348 VanDerWaalsContact CE-CD 3.45Å; K343-R348 HydrophobicContact CG-CB 4.4Å; K343-R348 HydrophobicContact CG-CG 3.86Å; R348-S350 PolarHBondContact O-N 2.8Å
349I93.5Very high94.9Very high11 Ų1147.2 Ų47.26%0.05624%0.24CC..  trans-74.8121.5168.7-59.1-179000107.8V309 W319 I321 L339 F342 F354 R370 V388V309-I349 HydrophobicContact CG2-CG1 4.42Å; W319-I349 HydrophobicContact CB-CG1 4.42Å; W319-I349 HydrophobicContact CD2-CB 4.34Å; W319-I349 HydrophobicContact CD2-CG1 3.93Å; W319-I349 HydrophobicContact CD2-CG2 4.18Å; W319-I349 HydrophobicContact CE3-CG1 4.45Å; W319-I349 HydrophobicContact CE3-CG2 3.92Å; W319-I349 HydrophobicContact CG-CD1 4.46Å; W319-I349 HydrophobicContact CG-CG1 3.88Å; W319-I349 HydrophobicContact CH2-CG2 4.22Å; W319-I349 HydrophobicContact CZ2-CG2 4.48Å; W319-I349 HydrophobicContact CZ3-CG2 3.97Å; I321-I349 HydrophobicContact CG2-CD1 3.98Å; L339-I349 HydrophobicContact CB-CD1 4.28Å; L339-I349 HydrophobicContact CD2-CD1 4.02Å; F342-I349 HydrophobicContact CB-CD1 3.87Å; I349-F354 HydrophobicContact CG2-CD1 4.38Å; I349-F354 HydrophobicContact CG2-CE1 3.7Å; I349-F354 HydrophobicContact CG2-CE2 4.16Å; I349-F354 HydrophobicContact CG2-CZ 3.57Å; I349-R370 WeakPolarHBondContact O-CD 3.49Å; I349-V388 HydrophobicContact CD1-CG2 4.47Å; I349-V388 HydrophobicContact CG2-CG1 4.46Å
350S89.3Confident95Very high58 Ų5848.2 Ų48.241%0.40624%0.244SC..  trans-117.6148.2-178.755.20000111.9W319 R348 F354 R390W319-S350 VanDerWaalsContact CH2-O 3.3Å; W319-S350 WeakPolarHBondContact CH2-O 3.49Å; R348-S350 PolarHBondContact O-N 2.8Å; S350-F354 WeakPolarHBondContact O-CE1 3.39Å; S350-F354 VanDerWaalsContact O-CZ 3.25Å; S350-F354 WeakPolarHBondContact O-CZ 3.38Å; S350-R390 PolarHBondContact O-NE 3.12Å; S350-R390 PolarHBondContact O-NH1 2.86Å; S350-R390 PolarHBondContact O-NH2 2.82Å; S350-R390 VanDerWaalsContact O-NH2 3.14Å; S350-R390 PolarHBondContact OG-NH2 2.83Å
351G89.9Confident95Very high25 Ų2547.7 Ų47.726%0.25825%0.246SC..SBendtrans107.1176.7-167.900000112.1F354 R370G351-F354 VanDerWaalsContact C-CZ 3.45Å; G351-F354 WeakPolarHBondContact O-CE2 3.31Å; G351-F354 WeakPolarHBondContact O-CZ 3.34Å; G351-R370 VanDerWaalsContact O-CD 3.27Å; G351-R370 WeakPolarHBondContact O-CD 3.42Å; G351-R370 PolarHBondContact O-NE 2.6Å
352D89.7Confident94.9Very high122 Ų12246.8 Ų46.865%0.65225%0.248SC*.SBendtrans-111.8-39-167.7-62.5-32.7000114Q369 R370D352-Q369 CarbonylContact O-C 3.32Å; D352-Q369 WeakPolarHBondContact O-CA 3.5Å; D352-R370 PolarHBondContact O-N 3.46Å
353K95Very high94.9Very high109 Ų10951.8 Ų51.847%0.47428%0.275SS..EExtended strand (participates in β ladder)trans-128.3129.3-174-169.1175.4-177.9177.80111.1V367 V391K353-V367 HydrophobicContact CD-CG1 4.24Å; K353-V367 HydrophobicContact CG-CG1 3.86Å; K353-V391 HydrophobicContact CG-CB 4.3Å; K353-V391 HydrophobicContact CG-CG2 4.38Å; K353-V391 PolarHBondContact O-N 3.26Å
354F95.8Very high94.9Very high0 Ų055 Ų550%029%0.285CS..EExtended strand (participates in β ladder)trans-133.5146.6-172.7-55.9-91000111.7W319 L339 I349 S350 G351 V367 V368 R370 V388 R389 R390W319-F354 HydrophobicContact CE3-CE1 4.47Å; W319-F354 HydrophobicContact CH2-CE1 4.39Å; W319-F354 HydrophobicContact CZ3-CD1 4.42Å; W319-F354 AromaticContact CZ3-CE1 3.74Å; W319-F354 HydrophobicContact CZ3-CE1 3.74Å; L339-F354 HydrophobicContact CD1-CB 3.65Å; L339-F354 HydrophobicContact CD1-CD2 3.49Å; L339-F354 VanDerWaalsContact CD1-CD2 3.49Å; L339-F354 HydrophobicContact CD1-CE2 4.28Å; L339-F354 HydrophobicContact CD1-CG 3.65Å; I349-F354 HydrophobicContact CG2-CD1 4.38Å; I349-F354 HydrophobicContact CG2-CE1 3.7Å; I349-F354 HydrophobicContact CG2-CE2 4.16Å; I349-F354 HydrophobicContact CG2-CZ 3.57Å; S350-F354 WeakPolarHBondContact O-CE1 3.39Å; S350-F354 VanDerWaalsContact O-CZ 3.25Å; S350-F354 WeakPolarHBondContact O-CZ 3.38Å; G351-F354 VanDerWaalsContact C-CZ 3.45Å; G351-F354 WeakPolarHBondContact O-CE2 3.31Å; G351-F354 WeakPolarHBondContact O-CZ 3.34Å; F354-V367 CarbonylContact O-C 3.42Å; F354-V367 WeakPolarHBondContact O-CA 3.35Å; F354-V368 PolarHBondContact N-O 3.29Å; F354-V368 PolarHBondContact O-N 2.89Å; F354-R370 HydrophobicContact CE2-CB 3.92Å; F354-R370 HydrophobicContact CE2-CG 4.2Å; F354-V388 HydrophobicContact CB-CG1 3.91Å; F354-V388 HydrophobicContact CD1-CG1 3.67Å; F354-V388 HydrophobicContact CE1-CG1 4.45Å; F354-V388 HydrophobicContact CG-CG1 3.93Å; F354-R389 CarbonylContact C-O 3.53Å; F354-R389 WeakPolarHBondContact CA-O 3.43Å; F354-R389 WeakPolarHBondContact CB-O 3.4Å; F354-R390 HydrophobicContact CD1-CG 4.08Å; F354-R390 HydrophobicContact CE1-CG 3.72Å
355E96.4Very high95Very high47 Ų4757.8 Ų57.822%0.2230%0.295CS..EExtended strand (participates in β ladder)trans-96.2130.1164.1-177.3178.463.500108.9V357 R364 V367 R389 V391E355-V357 HydrophobicContact CG-CG2 4.06Å; E355-R364 HydrophobicContact CG-CG 4.07Å; E355-R364 WeakPolarHBondContact OE2-CD 3.14Å; E355-R364 IonicContact OE2-CZ 3.71Å; E355-R364 IonicContact OE2-NE 3.37Å; E355-R364 PolarHBondContact OE2-NE 3.36Å; E355-R364 IonicContact OE2-NH1 3.67Å; E355-V367 HydrophobicContact CB-CG2 3.93Å; E355-V367 HydrophobicContact CG-CG2 4.11Å; E355-R389 PolarHBondContact N-O 3.09Å; E355-R389 PolarHBondContact O-N 3.28Å; E355-V391 HydrophobicContact CB-CG2 4.04Å
356L97.3Very high95.2Very high0 Ų056.6 Ų56.60%029%0.289CS..EExtended strand (participates in β ladder)trans-100.9121.2171.4-56-175.7000108.5L339 F365 Q366 V368 F374 Y386 V388L339-L356 HydrophobicContact CD1-CD2 4.18Å; L339-L356 HydrophobicContact CD2-CD2 3.93Å; L356-F365 HydrophobicContact CB-CB 4.27Å; L356-F365 HydrophobicContact CB-CD1 4.13Å; L356-F365 HydrophobicContact CD1-CD1 4.12Å; L356-F365 WeakPolarHBondContact O-CB 3.4Å; L356-F365 PolarHBondContact O-N 3.18Å; L356-Q366 PolarHBondContact N-O 2.86Å; L356-Q366 PolarHBondContact O-N 3.43Å; L356-V368 HydrophobicContact CD1-CG2 4Å; L356-V368 HydrophobicContact CG-CG2 4.19Å; L356-F374 HydrophobicContact CD1-CD2 4.44Å; L356-F374 HydrophobicContact CD1-CE1 4.09Å; L356-F374 HydrophobicContact CD1-CE2 3.99Å; L356-F374 HydrophobicContact CD1-CZ 3.82Å; L356-Y386 HydrophobicContact CB-CD1 4.29Å; L356-Y386 HydrophobicContact CB-CG 4.45Å; L356-V388 HydrophobicContact CD2-CB 4.15Å; L356-V388 HydrophobicContact CD2-CG1 3.96Å; L356-V388 HydrophobicContact CD2-CG2 3.75Å
357V97.3Very high95.4Very high12 Ų1254.9 Ų54.97%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-113.3124.8175.3-178.30000108.2E355 V359 G362 Y386 R387E355-V357 HydrophobicContact CG-CG2 4.06Å; V357-V359 PolarHBondContact O-N 3.34Å; V357-G362 WeakPolarHBondContact CG1-O 3.29Å; V357-Y386 CarbonylContact O-C 3.51Å; V357-Y386 VanDerWaalsContact O-CA 3.28Å; V357-Y386 WeakPolarHBondContact O-CA 3.24Å; V357-R387 HydrophobicContact CB-CB 4.39Å; V357-R387 PolarHBondContact N-O 3.43Å; V357-R387 PolarHBondContact O-N 3.14Å
358D98.1Very high95.5Very high18 Ų1853.3 Ų53.310%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-61.7125.1175.5-172.4-57000109.4F360 S361 G362 D363 M384 Y386D358-F360 WeakPolarHBondContact OD1-CA 3.37Å; D358-F360 WeakPolarHBondContact OD1-CB 3.42Å; D358-F360 PolarHBondContact OD1-N 2.83Å; D358-S361 PolarHBondContact OD1-N 3.28Å; D358-G362 WeakPolarHBondContact O-CA 3.08Å; D358-G362 PolarHBondContact O-N 3.1Å; D358-D363 PolarHBondContact N-O 3.15Å; D358-M384 WeakPolarHBondContact OD2-CE 3.3Å; D358-Y386 HydrophobicContact CB-CD1 4.44Å; D358-Y386 HydrophobicContact CB-CE1 4.3Å
359V97.9Very high95.6Very high1 Ų151.1 Ų51.11%0.00627%0.267CS..THydrogen-bonded Turntrans-70.8-34.6-176.5173.30000111.3N281 R283 L284 I287 V357 M385N281-V359 PolarHBondContact ND2-O 2.91Å; N281-V359 PolarHBondContact OD1-O 3.48Å; R283-V359 HydrophobicContact CB-CG1 4.07Å; R283-V359 PolarHBondContact NE-O 3.48Å; L284-V359 HydrophobicContact CD2-CG1 3.61Å; L284-V359 HydrophobicContact CG-CG1 3.74Å; I287-V359 HydrophobicContact CD1-CB 4.36Å; I287-V359 HydrophobicContact CD1-CG1 3.71Å; I287-V359 HydrophobicContact CD1-CG2 3.65Å; V357-V359 PolarHBondContact O-N 3.34Å; V359-M385 HydrophobicContact CB-CB 3.83Å; V359-M385 HydrophobicContact CG2-CB 3.89Å; V359-M385 PolarHBondContact N-O 2.74Å
360F97.9Very high95.7Very high22 Ų2254 Ų5410%0.09628%0.277CS..THydrogen-bonded Turntrans-75.7-55.2-178.3-60.1-75.4000110.7R249 L278 N281 R283 L284 D358 I383 M385R249-F360 HydrophobicContact CB-CE1 3.92Å; R249-F360 HydrophobicContact CB-CZ 4.09Å; R249-F360 HydrophobicContact CG-CD1 4.09Å; R249-F360 HydrophobicContact CG-CE1 3.92Å; R249-F360 HydrophobicContact CG-CZ 4.46Å; L278-F360 HydrophobicContact CD2-CD1 3.9Å; L278-F360 HydrophobicContact CD2-CE1 4.19Å; N281-F360 PolarHBondContact ND2-O 3.12Å; R283-F360 PolarHBondContact NH2-O 2.82Å; L284-F360 HydrophobicContact CD1-CD1 4.11Å; L284-F360 HydrophobicContact CD1-CE1 4.02Å; L284-F360 HydrophobicContact CD2-CE1 4.21Å; D358-F360 WeakPolarHBondContact OD1-CA 3.37Å; D358-F360 WeakPolarHBondContact OD1-CB 3.42Å; D358-F360 PolarHBondContact OD1-N 2.83Å; F360-I383 HydrophobicContact CE2-CG2 3.97Å; F360-I383 HydrophobicContact CZ-CG2 3.65Å; F360-M385 HydrophobicContact CD2-CB 4.44Å; F360-M385 HydrophobicContact CE2-CB 3.8Å; F360-M385 HydrophobicContact CE2-CG 3.84Å; F360-M385 HydrophobicContact CE2-SD 4.09Å; F360-M385 HydrophobicContact CZ-CB 4.39Å; F360-M385 HydrophobicContact CZ-CG 4.08Å; F360-M385 HydrophobicContact CZ-SD 3.73Å
361S96.5Very high96Very high58 Ų5855.1 Ų55.141%0.40628%0.281SS..THydrogen-bonded Turntrans-82.1-32.9-177.377.10000113.3R283 D358 D363R283-S361 PolarHBondContact NH2-O 3.14Å; D358-S361 PolarHBondContact OD1-N 3.28Å; S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 WeakPolarHBondContact CB-OD2 3.4Å; S361-D363 WeakPolarHBondContact OG-CB 3.31Å; S361-D363 PolarHBondContact OG-N 3.12Å; S361-D363 VanDerWaalsContact OG-N 3.1Å; S361-D363 PolarHBondContact OG-OD2 2.93Å
362G96.1Very high96.4Very high25 Ų2557.6 Ų57.626%0.25829%0.286SS..  trans86.5-1.5-171.700000113.7R283 V357 D358R283-G362 VanDerWaalsContact CZ-N 3.35Å; R283-G362 VanDerWaalsContact NE-CA 3.31Å; R283-G362 VanDerWaalsContact NH2-N 3.17Å; V357-G362 WeakPolarHBondContact CG1-O 3.29Å; D358-G362 WeakPolarHBondContact O-CA 3.08Å; D358-G362 PolarHBondContact O-N 3.1Å
363D97Very high96.8Very high107 Ų10759 Ų5957%0.57229%0.286SS*.  trans-71.6144.4179.4-57.9-43.6000110.1D358 S361 F365D358-D363 PolarHBondContact N-O 3.15Å; S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 WeakPolarHBondContact CB-OD2 3.4Å; S361-D363 WeakPolarHBondContact OG-CB 3.31Å; S361-D363 PolarHBondContact OG-N 3.12Å; S361-D363 VanDerWaalsContact OG-N 3.1Å; S361-D363 PolarHBondContact OG-OD2 2.93Å; D363-F365 PolarHBondContact O-N 3.24Å; D363-F365 VanDerWaalsContact O-N 3.16Å
364R96.7Very high96.9Very high160 Ų16054.1 Ų54.160%0.60427%0.265SS*.EExtended strand (participates in β ladder)trans-66.2115.6166.3179.3-179.4170.6175.5-12108.1E355E355-R364 HydrophobicContact CG-CG 4.07Å; E355-R364 WeakPolarHBondContact OE2-CD 3.14Å; E355-R364 IonicContact OE2-CZ 3.71Å; E355-R364 IonicContact OE2-NE 3.37Å; E355-R364 PolarHBondContact OE2-NE 3.36Å; E355-R364 IonicContact OE2-NH1 3.67Å
365F96.8Very high97Very high75 Ų7558 Ų5833%0.32928%0.284SS..EExtended strand (participates in β ladder)trans-77.4-60.5178.5177.4-113.3000110.9L356 D363 F374 M375 Y386L356-F365 HydrophobicContact CB-CB 4.27Å; L356-F365 HydrophobicContact CB-CD1 4.13Å; L356-F365 HydrophobicContact CD1-CD1 4.12Å; L356-F365 WeakPolarHBondContact O-CB 3.4Å; L356-F365 PolarHBondContact O-N 3.18Å; D363-F365 PolarHBondContact O-N 3.24Å; D363-F365 VanDerWaalsContact O-N 3.16Å; F365-F374 AromaticContact CE1-CD2 3.99Å; F365-F374 HydrophobicContact CE1-CD2 3.99Å; F365-M375 WeakPolarHBondContact CZ-O 3.47Å; F365-Y386 HydrophobicContact CB-CD1 3.98Å; F365-Y386 HydrophobicContact CB-CE1 3.64Å; F365-Y386 HydrophobicContact CD1-CD1 4.19Å; F365-Y386 AromaticContact CD1-CE1 3.64Å; F365-Y386 HydrophobicContact CD1-CE1 3.64Å; F365-Y386 AromaticContact CD1-CZ 3.94Å; F365-Y386 AromaticContact CD2-CE1 3.9Å; F365-Y386 HydrophobicContact CD2-CE1 3.9Å; F365-Y386 HydrophobicContact CE1-CE1 4.26Å; F365-Y386 HydrophobicContact CE2-CE1 4.49Å; F365-Y386 HydrophobicContact CG-CD1 4.15Å; F365-Y386 AromaticContact CG-CE1 3.43Å; F365-Y386 HydrophobicContact CG-CE1 3.43Å; F365-Y386 VanDerWaalsContact CG-CE1 3.43Å
366Q96.1Very high97.1Very high68 Ų6855.7 Ų55.732%0.31827%0.274SS..EExtended strand (participates in β ladder)trans-162.2157.9179.8-160.5174.1-3.800111.4L356 V368L356-Q366 PolarHBondContact N-O 2.86Å; L356-Q366 PolarHBondContact O-N 3.43Å; Q366-V368 HydrophobicContact CB-CG1 4.09Å; Q366-V368 HydrophobicContact CG-CG1 3.8Å
367V96.9Very high97.1Very high35 Ų3558.5 Ų58.521%0.21229%0.293CS..EExtended strand (participates in β ladder)trans-103.5125.2160.8166.60000109K353 F354 E355 V391K353-V367 HydrophobicContact CD-CG1 4.24Å; K353-V367 HydrophobicContact CG-CG1 3.86Å; F354-V367 CarbonylContact O-C 3.42Å; F354-V367 WeakPolarHBondContact O-CA 3.35Å; E355-V367 HydrophobicContact CB-CG2 3.93Å; E355-V367 HydrophobicContact CG-CG2 4.11Å; V367-V391 HydrophobicContact CG1-CG2 4.34Å; V367-V391 HydrophobicContact CG2-CG2 4.36Å
368V97.1Very high97.1Very high1 Ų158 Ų581%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-131.4151.4-173-62.80000111L339 F354 L356 Q366 Q372 F374L339-V368 HydrophobicContact CD1-CG2 3.73Å; L339-V368 HydrophobicContact CG-CG2 4.19Å; F354-V368 PolarHBondContact N-O 3.29Å; F354-V368 PolarHBondContact O-N 2.89Å; L356-V368 HydrophobicContact CD1-CG2 4Å; L356-V368 HydrophobicContact CG-CG2 4.19Å; Q366-V368 HydrophobicContact CB-CG1 4.09Å; Q366-V368 HydrophobicContact CG-CG1 3.8Å; V368-Q372 HydrophobicContact CB-CB 4.43Å; V368-F374 HydrophobicContact CB-CD1 4.49Å; V368-F374 HydrophobicContact CG1-CB 4.43Å; V368-F374 HydrophobicContact CG1-CD1 4.06Å; V368-F374 HydrophobicContact CG1-CG 4.48Å; V368-F374 HydrophobicContact CG2-CD1 4.35Å; V368-F374 HydrophobicContact CG2-CE1 4.34Å
369Q96.6Very high97.1Very high119 Ų11960.1 Ų60.156%0.55630%0.301SS*.EExtended strand (participates in β ladder)trans-74.3156.6161-59.7-177.21000110.4D352 T371 Q372D352-Q369 CarbonylContact O-C 3.32Å; D352-Q369 WeakPolarHBondContact O-CA 3.5Å; Q369-T371 PolarHBondContact O-N 3.06Å; Q369-Q372 HydrophobicContact CB-CB 3.97Å; Q369-Q372 VanDerWaalsContact N-OE1 3.08Å; Q369-Q372 WeakPolarHBondContact O-CB 3.45Å; Q369-Q372 PolarHBondContact O-N 3.31Å
370R95.2Very high97.1Very high73 Ų7361.1 Ų61.128%0.27531%0.308SS..THydrogen-bonded Turntrans-52.1-42.7-179-165.5169.551.878.78.6113.3L339 D340 I349 G351 D352 F354L339-R370 CarbonylContact C-O 3.57Å; L339-R370 HydrophobicContact CB-CG 4.27Å; L339-R370 PolarHBondContact N-O 2.7Å; L339-R370 VanDerWaalsContact N-O 3.1Å; D340-R370 HydrophobicContact CB-CG 4.36Å; D340-R370 PolarHBondContact N-O 3.05Å; D340-R370 IonicContact OD1-CZ 3.83Å; D340-R370 IonicContact OD1-NH1 2.59Å; D340-R370 PolarHBondContact OD1-NH1 3.43Å; I349-R370 WeakPolarHBondContact O-CD 3.49Å; G351-R370 VanDerWaalsContact O-CD 3.27Å; G351-R370 WeakPolarHBondContact O-CD 3.42Å; G351-R370 PolarHBondContact O-NE 2.6Å; D352-R370 PolarHBondContact O-N 3.46Å; F354-R370 HydrophobicContact CE2-CB 3.92Å; F354-R370 HydrophobicContact CE2-CG 4.2Å
371T96.2Very high97.1Very high81 Ų8160.5 Ų60.550%0.49731%0.306SS..THydrogen-bonded Turntrans-93-5-177.553.40000113.4D340 Q369 K373D340-T371 HydrophobicContact CB-CG2 4.24Å; Q369-T371 PolarHBondContact O-N 3.06Å; T371-K373 PolarHBondContact O-N 3.44Å
372Q97.5Very high97.2Very high76 Ų7657.7 Ų57.736%0.35529%0.287SS..  trans-72.3127.2179.8179.3179.9-4.600109.6S338 V368 Q369S338-Q372 WeakPolarHBondContact CB-O 3.49Å; V368-Q372 HydrophobicContact CB-CB 4.43Å; Q369-Q372 HydrophobicContact CB-CB 3.97Å; Q369-Q372 VanDerWaalsContact N-OE1 3.08Å; Q369-Q372 WeakPolarHBondContact O-CB 3.45Å; Q369-Q372 PolarHBondContact O-N 3.31Å
373K97.6Very high97.4Very high152 Ų15256.7 Ų56.766%0.66128%0.275SS*.  trans-73.8143.8173.9-70.8-173.2176.5-176.20111.4T337 T371T337-K373 CarbonylContact O-C 3.59Å; T337-K373 WeakPolarHBondContact O-CA 3.35Å; T371-K373 PolarHBondContact O-N 3.44Å
374F97.8Very high97.4Very high7 Ų753.3 Ų53.33%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-139.9162.1172.854.9-89.4000110Y336 T337 L339 L356 F365 V368 I376Y336-F374 WeakPolarHBondContact CA-O 3.43Å; T337-F374 HydrophobicContact CG2-CE2 3.89Å; T337-F374 HydrophobicContact CG2-CZ 3.91Å; T337-F374 PolarHBondContact N-O 3.21Å; T337-F374 PolarHBondContact O-N 2.95Å; L339-F374 HydrophobicContact CD2-CE1 4.39Å; L339-F374 HydrophobicContact CD2-CZ 4.27Å; L339-F374 HydrophobicContact CG-CE1 4.17Å; L356-F374 HydrophobicContact CD1-CD2 4.44Å; L356-F374 HydrophobicContact CD1-CE1 4.09Å; L356-F374 HydrophobicContact CD1-CE2 3.99Å; L356-F374 HydrophobicContact CD1-CZ 3.82Å; F365-F374 AromaticContact CE1-CD2 3.99Å; F365-F374 HydrophobicContact CE1-CD2 3.99Å; V368-F374 HydrophobicContact CB-CD1 4.49Å; V368-F374 HydrophobicContact CG1-CB 4.43Å; V368-F374 HydrophobicContact CG1-CD1 4.06Å; V368-F374 HydrophobicContact CG1-CG 4.48Å; V368-F374 HydrophobicContact CG2-CD1 4.35Å; V368-F374 HydrophobicContact CG2-CE1 4.34Å; F374-I376 HydrophobicContact CD2-CD1 4.37Å; F374-I376 HydrophobicContact CD2-CG1 3.98Å; F374-I376 HydrophobicContact CE2-CD1 3.79Å; F374-I376 HydrophobicContact CE2-CG1 3.9Å
375M98Very high97.5Very high80 Ų8045.7 Ų45.739%0.39423%0.228SC..EExtended strand (participates in β ladder)trans-110.3128.8-177.1-171.9-150.8-41.100109.8H334 F335 Y336 F365H334-M375 HydrophobicContact CB-CG 4.01Å; H334-M375 HydrophobicContact CB-SD 3.76Å; F335-M375 CarbonylContact O-C 3.55Å; F335-M375 WeakPolarHBondContact O-CA 3.33Å; Y336-M375 HydrophobicContact CD1-CB 3.91Å; Y336-M375 HydrophobicContact CD1-CG 4.16Å; Y336-M375 HydrophobicContact CD2-CG 4.37Å; Y336-M375 HydrophobicContact CE1-CB 3.73Å; Y336-M375 HydrophobicContact CE1-CE 4.04Å; Y336-M375 HydrophobicContact CE1-CG 3.81Å; Y336-M375 HydrophobicContact CE2-CG 4.02Å; Y336-M375 HydrophobicContact CG-CG 4.45Å; Y336-M375 WeakPolarHBondContact OH-CE 3.39Å; F365-M375 WeakPolarHBondContact CZ-O 3.47Å
376I97.8Very high97.6Very high0 Ų042.2 Ų42.20%021%0.212CC..EExtended strand (participates in β ladder)trans-109.9129.8173.4-57.9164.6000108.1C323 F335 T337 F374 I378 M384 Y386C323-I376 HydrophobicContact CB-CD1 4.33Å; C323-I376 VanDerWaalsContact SG-CD1 3.55Å; F335-I376 HydrophobicContact CD1-CD1 4.41Å; F335-I376 PolarHBondContact N-O 3.12Å; F335-I376 PolarHBondContact O-N 3.44Å; T337-I376 HydrophobicContact CG2-CD1 4.2Å; F374-I376 HydrophobicContact CD2-CD1 4.37Å; F374-I376 HydrophobicContact CD2-CG1 3.98Å; F374-I376 HydrophobicContact CE2-CD1 3.79Å; F374-I376 HydrophobicContact CE2-CG1 3.9Å; I376-I378 HydrophobicContact CB-CG1 4.39Å; I376-I378 HydrophobicContact CG2-CD1 4.1Å; I376-I378 HydrophobicContact CG2-CG1 3.6Å; I376-M384 HydrophobicContact CG2-CB 3.59Å; I376-M384 HydrophobicContact CG2-CG 3.51Å; I376-Y386 HydrophobicContact CD1-CE2 3.76Å; I376-Y386 HydrophobicContact CG1-CE2 3.93Å; I376-Y386 HydrophobicContact CG2-CE2 4.27Å
377S97.5Very high97.6Very high59 Ų5940.1 Ų40.141%0.41320%0.202SC..EExtended strand (participates in β ladder)trans-91.6124.5169.7-167.30000109.7I333 M384I333-S377 WeakPolarHBondContact O-CA 3.26Å; S377-M384 WeakPolarHBondContact O-CG 3.11Å
378I98.3Very high97.6Very high1 Ų138.5 Ų38.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-129.4126.3-175.9-42.5172.2000109.4V305 C323 F325 P332 I333 F335 I376 G382 M384V305-I378 HydrophobicContact CG1-CD1 3.89Å; V305-I378 HydrophobicContact CG2-CD1 4.17Å; C323-I378 HydrophobicContact CB-CD1 3.51Å; F325-I378 HydrophobicContact CB-CB 4.06Å; F325-I378 HydrophobicContact CB-CG2 3.61Å; P332-I378 CarbonylContact C-O 3.52Å; P332-I378 WeakPolarHBondContact CA-O 3.33Å; I333-I378 HydrophobicContact CG2-CB 4.02Å; I333-I378 PolarHBondContact N-O 3.24Å; I333-I378 PolarHBondContact O-N 2.85Å; F335-I378 HydrophobicContact CB-CD1 4.1Å; I376-I378 HydrophobicContact CB-CG1 4.39Å; I376-I378 HydrophobicContact CG2-CD1 4.1Å; I376-I378 HydrophobicContact CG2-CG1 3.6Å; I378-G382 WeakPolarHBondContact CG2-O 3.27Å; I378-M384 HydrophobicContact CB-CG 4.42Å; I378-M384 HydrophobicContact CG1-CB 4.46Å; I378-M384 HydrophobicContact CG1-CG 3.87Å; I378-M384 HydrophobicContact CG2-CG 4.34Å
379N98.2Very high97.5Very high63 Ų6342.5 Ų42.534%0.33721%0.207SC..  trans-69.3154.8175.5-70.2-8.1000111.8D246 F325 P332 S381 G382D246-N379 WeakPolarHBondContact OD2-CB 3.49Å; D246-N379 PolarHBondContact OD2-ND2 3.37Å; F325-N379 WeakPolarHBondContact CD1-O 3.24Å; P332-N379 WeakPolarHBondContact CG-OD1 2.88Å; N379-S381 PolarHBondContact O-N 2.76Å; N379-G382 VanDerWaalsContact O-CA 3.3Å; N379-G382 WeakPolarHBondContact O-CA 3.48Å; N379-G382 PolarHBondContact O-N 3.1Å
380P98.2Very high97.2Very high22 Ų2242.9 Ų42.914%0.14320%0.203CC..THydrogen-bonded Turntrans-53.1136.4169.5-24.534.2000111.6F325 T327 G331 G382F325-P380 HydrophobicContact CE1-CG 4.36Å; T327-P380 CarbonylContact O-C 3.5Å; T327-P380 WeakPolarHBondContact O-CA 3.36Å; T327-P380 WeakPolarHBondContact O-CB 3.16Å; G331-P380 WeakPolarHBondContact O-CG 3.43Å; P380-G382 PolarHBondContact O-N 2.82Å; P380-G382 VanDerWaalsContact O-N 3.1Å
381S98Very high96.9Very high8 Ų842.1 Ų42.16%0.05621%0.206CC..THydrogen-bonded Turntrans51.827.6-172.564.20000113.6D246 Q247 V250 F325 T327 N379D246-S381 CarbonylContact C-O 3.55Å; Q247-S381 PolarHBondContact NE2-OG 2.9Å; V250-S381 WeakPolarHBondContact CG2-O 3.15Å; F325-S381 WeakPolarHBondContact O-CA 3.03Å; F325-S381 PolarHBondContact O-N 3.01Å; T327-S381 PolarHBondContact O-N 2.77Å; N379-S381 PolarHBondContact O-N 2.76Å
382G98.4Very high95.7Very high0 Ų046.8 Ų46.80%022%0.223CC..  trans-111166.4-178.600000112.6L324 F325 I378 N379 P380L324-G382 WeakPolarHBondContact CD1-O 3.37Å; F325-G382 PolarHBondContact N-O 3.28Å; I378-G382 WeakPolarHBondContact CG2-O 3.27Å; N379-G382 VanDerWaalsContact O-CA 3.3Å; N379-G382 WeakPolarHBondContact O-CA 3.48Å; N379-G382 PolarHBondContact O-N 3.1Å; P380-G382 PolarHBondContact O-N 2.82Å; P380-G382 VanDerWaalsContact O-N 3.1Å
383I98.8Very high93.7Very high3 Ų351.1 Ų51.12%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-134.4142.9179.7-171.3172.6000109.9R249 V250 M254 A322 C323 L324 F360 M385R249-I383 VanDerWaalsContact C-CG2 3.5Å; R249-I383 HydrophobicContact CB-CG2 3.88Å; V250-I383 HydrophobicContact CB-CG2 4.42Å; V250-I383 HydrophobicContact CG2-CB 3.98Å; V250-I383 HydrophobicContact CG2-CG2 4.01Å; M254-I383 HydrophobicContact CG-CD1 3.95Å; M254-I383 HydrophobicContact SD-CD1 3.65Å; A322-I383 HydrophobicContact CB-CD1 4.04Å; A322-I383 HydrophobicContact CB-CG1 4.37Å; C323-I383 WeakPolarHBondContact O-CA 3.42Å; L324-I383 HydrophobicContact CB-CG1 4.38Å; L324-I383 HydrophobicContact CD1-CB 4.45Å; F360-I383 HydrophobicContact CE2-CG2 3.97Å; F360-I383 HydrophobicContact CZ-CG2 3.65Å; I383-M385 HydrophobicContact CD1-CG 3.89Å; I383-M385 HydrophobicContact CD1-SD 4.03Å; I383-M385 HydrophobicContact CG1-CG 3.96Å
384M98.6Very high91.3Very high36 Ų3651.1 Ų51.118%0.17724%0.243CC..EExtended strand (participates in β ladder)trans-115.3136163.8-64.2-57-64.200109.1A322 C323 D358 I376 S377 I378 Y386A322-M384 WeakPolarHBondContact CA-O 3.41Å; C323-M384 PolarHBondContact N-O 2.87Å; C323-M384 PolarHBondContact O-N 3.25Å; D358-M384 WeakPolarHBondContact OD2-CE 3.3Å; I376-M384 HydrophobicContact CG2-CB 3.59Å; I376-M384 HydrophobicContact CG2-CG 3.51Å; S377-M384 WeakPolarHBondContact O-CG 3.11Å; I378-M384 HydrophobicContact CB-CG 4.42Å; I378-M384 HydrophobicContact CG1-CB 4.46Å; I378-M384 HydrophobicContact CG1-CG 3.87Å; I378-M384 HydrophobicContact CG2-CG 4.34Å; M384-Y386 HydrophobicContact CB-CE2 4.07Å
385M98.6Very high88.6Confident0 Ų055.1 Ų55.10%027%0.268CS..EExtended strand (participates in β ladder)trans-130.7137.1-178.6-70.9179.866.200110.4G253 M257 L284 I287 I321 A322 V359 F360 I383G253-M385 WeakPolarHBondContact CA-SD 3.47Å; M257-M385 HydrophobicContact CG-CE 3.63Å; M257-M385 HydrophobicContact SD-CE 3.85Å; L284-M385 HydrophobicContact CD2-CE 4.2Å; L284-M385 HydrophobicContact CD2-SD 4.14Å; I287-M385 HydrophobicContact CD1-CE 4.14Å; I321-M385 VanDerWaalsContact O-CA 3.3Å; I321-M385 WeakPolarHBondContact O-CA 3.48Å; A322-M385 HydrophobicContact CB-CG 3.86Å; V359-M385 HydrophobicContact CB-CB 3.83Å; V359-M385 HydrophobicContact CG2-CB 3.89Å; V359-M385 PolarHBondContact N-O 2.74Å; F360-M385 HydrophobicContact CD2-CB 4.44Å; F360-M385 HydrophobicContact CE2-CB 3.8Å; F360-M385 HydrophobicContact CE2-CG 3.84Å; F360-M385 HydrophobicContact CE2-SD 4.09Å; F360-M385 HydrophobicContact CZ-CB 4.39Å; F360-M385 HydrophobicContact CZ-CG 4.08Å; F360-M385 HydrophobicContact CZ-SD 3.73Å; I383-M385 HydrophobicContact CD1-CG 3.89Å; I383-M385 HydrophobicContact CD1-SD 4.03Å; I383-M385 HydrophobicContact CG1-CG 3.96Å
386Y98.2Very high86.1Confident2 Ų256.1 Ų56.11%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-128.6135.2179-56.4-78.3000111.5A320 I321 L356 V357 D358 F365 I376 M384A320-Y386 WeakPolarHBondContact CA-O 3.25Å; I321-Y386 HydrophobicContact CD1-CD2 4.13Å; I321-Y386 HydrophobicContact CG1-CD2 4.19Å; I321-Y386 PolarHBondContact N-O 2.76Å; I321-Y386 PolarHBondContact O-N 3.44Å; L356-Y386 HydrophobicContact CB-CD1 4.29Å; L356-Y386 HydrophobicContact CB-CG 4.45Å; V357-Y386 CarbonylContact O-C 3.51Å; V357-Y386 VanDerWaalsContact O-CA 3.28Å; V357-Y386 WeakPolarHBondContact O-CA 3.24Å; D358-Y386 HydrophobicContact CB-CD1 4.44Å; D358-Y386 HydrophobicContact CB-CE1 4.3Å; F365-Y386 HydrophobicContact CB-CD1 3.98Å; F365-Y386 HydrophobicContact CB-CE1 3.64Å; F365-Y386 HydrophobicContact CD1-CD1 4.19Å; F365-Y386 AromaticContact CD1-CE1 3.64Å; F365-Y386 HydrophobicContact CD1-CE1 3.64Å; F365-Y386 AromaticContact CD1-CZ 3.94Å; F365-Y386 AromaticContact CD2-CE1 3.9Å; F365-Y386 HydrophobicContact CD2-CE1 3.9Å; F365-Y386 HydrophobicContact CE1-CE1 4.26Å; F365-Y386 HydrophobicContact CE2-CE1 4.49Å; F365-Y386 HydrophobicContact CG-CD1 4.15Å; F365-Y386 AromaticContact CG-CE1 3.43Å; F365-Y386 HydrophobicContact CG-CE1 3.43Å; F365-Y386 VanDerWaalsContact CG-CE1 3.43Å; I376-Y386 HydrophobicContact CD1-CE2 3.76Å; I376-Y386 HydrophobicContact CG1-CE2 3.93Å; I376-Y386 HydrophobicContact CG2-CE2 4.27Å; M384-Y386 HydrophobicContact CB-CE2 4.07Å
387R97Very high83.7Confident25 Ų2559.3 Ų59.39%0.09430%0.301CS..EExtended strand (participates in β ladder)trans-77.9119.2160-175.774.4-179.9115.9-21107.6L312 P316 W319 V357 R389L312-R387 VanDerWaalsContact CB-NH2 3.34Å; P316-R387 PolarHBondContact O-NH2 2.92Å; W319-R387 PolarHBondContact O-NH1 2.8Å; V357-R387 HydrophobicContact CB-CB 4.39Å; V357-R387 PolarHBondContact N-O 3.43Å; V357-R387 PolarHBondContact O-N 3.14Å; R387-R389 HydrophobicContact CG-CG 3.89Å
388V96.9Very high81.2Confident0 Ų062.3 Ų62.30%031%0.308CS..EExtended strand (participates in β ladder)trans-96109.8176.7-170.80000108.9W319 I321 L339 I349 F354 L356W319-V388 HydrophobicContact CB-CB 4.19Å; W319-V388 HydrophobicContact CB-CG2 4.41Å; W319-V388 HydrophobicContact CE3-CB 4.44Å; W319-V388 HydrophobicContact CE3-CG1 4.3Å; W319-V388 PolarHBondContact N-O 2.79Å; W319-V388 PolarHBondContact O-N 3.22Å; I321-V388 HydrophobicContact CB-CG2 4.42Å; I321-V388 HydrophobicContact CD1-CG2 3.98Å; I321-V388 HydrophobicContact CG1-CG2 3.81Å; I321-V388 HydrophobicContact CG2-CG2 3.9Å; L339-V388 HydrophobicContact CD1-CG1 3.95Å; L339-V388 HydrophobicContact CD2-CG1 4.24Å; L339-V388 HydrophobicContact CD2-CG2 4.13Å; I349-V388 HydrophobicContact CD1-CG2 4.47Å; I349-V388 HydrophobicContact CG2-CG1 4.46Å; F354-V388 HydrophobicContact CB-CG1 3.91Å; F354-V388 HydrophobicContact CD1-CG1 3.67Å; F354-V388 HydrophobicContact CE1-CG1 4.45Å; F354-V388 HydrophobicContact CG-CG1 3.93Å; L356-V388 HydrophobicContact CD2-CB 4.15Å; L356-V388 HydrophobicContact CD2-CG1 3.96Å; L356-V388 HydrophobicContact CD2-CG2 3.75Å
389R93.3Very high78.8Confident86 Ų8668 Ų6833%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-111.5134.8-179.8-61.9179175.6172.2-3.1109.8P316 F354 E355 R387 V391P316-R389 HydrophobicContact CG-CG 4.08Å; F354-R389 CarbonylContact C-O 3.53Å; F354-R389 WeakPolarHBondContact CA-O 3.43Å; F354-R389 WeakPolarHBondContact CB-O 3.4Å; E355-R389 PolarHBondContact N-O 3.09Å; E355-R389 PolarHBondContact O-N 3.28Å; R387-R389 HydrophobicContact CG-CG 3.89Å; R389-V391 PolarHBondContact O-N 3.02Å
390R91.3Very high76.6Confident127 Ų12769.2 Ų69.248%0.47934%0.34SS..EExtended strand (participates in β ladder)trans-65.8131.7170.6-66.6-177.7-170.6-137.26.1108.7W319 S350 F354 Q392W319-R390 HydrophobicContact CZ3-CG 4.24Å; S350-R390 PolarHBondContact O-NE 3.12Å; S350-R390 PolarHBondContact O-NH1 2.86Å; S350-R390 PolarHBondContact O-NH2 2.82Å; S350-R390 VanDerWaalsContact O-NH2 3.14Å; S350-R390 PolarHBondContact OG-NH2 2.83Å; F354-R390 HydrophobicContact CD1-CG 4.08Å; F354-R390 HydrophobicContact CE1-CG 3.72Å; R390-Q392 PolarHBondContact O-N 2.95Å
391V88.1Confident74.3Confident56 Ų5673.5 Ų73.534%0.33936%0.362SS..  trans-81.5110.6168.3-179.20000106.5K353 E355 V367 R389 Q393K353-V391 HydrophobicContact CG-CB 4.3Å; K353-V391 HydrophobicContact CG-CG2 4.38Å; K353-V391 PolarHBondContact O-N 3.26Å; E355-V391 HydrophobicContact CB-CG2 4.04Å; V367-V391 HydrophobicContact CG1-CG2 4.34Å; V367-V391 HydrophobicContact CG2-CG2 4.36Å; R389-V391 PolarHBondContact O-N 3.02Å; V391-Q393 PolarHBondContact O-N 3.09Å
392Q72.5Confident72Confident180 Ų18074.9 Ų74.984%0.84138%0.378SS*.PPolyproline II helixtrans-62.4123.6170-67.1-177.34.900107.8R390 K394R390-Q392 PolarHBondContact O-N 2.95Å; Q392-K394 PolarHBondContact O-N 2.87Å
393Q55.1Low69.8Low166 Ų16680.3 Ų80.378%0.77641%0.406SS*.PPolyproline II helixtrans-65.2117.6165.4-71.9-179.8-8.900105.7V391 T395V391-Q393 PolarHBondContact O-N 3.09Å; Q393-T395 PolarHBondContact O-N 3.07Å
394K47.1Very low67.6Low152 Ų15286.9 Ų86.966%0.66144%0.435SS*.PPolyproline II helixtrans-52.3117.2164.8-76.2-173.6173-171.70106.6Q392 V396Q392-K394 PolarHBondContact O-N 2.87Å; K394-V396 PolarHBondContact O-N 3.07Å
395T41.5Very low65.4Low92 Ų9293.2 Ų93.256%0.56446%0.464SS*.PPolyproline II helixtrans-61.2134.5170.325.20000107.7Q393 S397 E398Q393-T395 PolarHBondContact O-N 3.07Å; T395-S397 PolarHBondContact O-N 3.3Å; T395-E398 PolarHBondContact O-N 3.23Å
396V45.5Very low63.5Low101 Ų10198.8 Ų98.861%0.61250%0.498SS*.Hα-helixtrans-51.1-19.3-177.8175.90000113.1K394 E398 E399 I400K394-V396 PolarHBondContact O-N 3.07Å; V396-E398 VanDerWaalsContact C-N 3.34Å; V396-E398 PolarHBondContact O-N 3.06Å; V396-E399 PolarHBondContact O-N 3.09Å; V396-I400 HydrophobicContact CG1-CD1 4.03Å; V396-I400 HydrophobicContact CG1-CG1 4.43Å; V396-I400 WeakPolarHBondContact O-CG1 3.5Å; V396-I400 PolarHBondContact O-N 3Å
397S45.9Very low61.4Low67 Ų67105.6 Ų105.647%0.46953%0.534SS..Hα-helixtrans-60.9-34.6173.356.10000114.2T395 I400 D401T395-S397 PolarHBondContact O-N 3.3Å; S397-I400 PolarHBondContact O-N 2.84Å; S397-D401 PolarHBondContact O-N 3.18Å; S397-D401 VanDerWaalsContact O-N 3.15Å
398E46.5Very low59.2Low122 Ų122114.5 Ų114.557%0.5758%0.582SS**Hα-helixtrans-77.5-24.2-179.2-68.7-175.8167.600113.2T395 V396 G402T395-E398 PolarHBondContact O-N 3.23Å; V396-E398 VanDerWaalsContact C-N 3.34Å; V396-E398 PolarHBondContact O-N 3.06Å; E398-G402 PolarHBondContact O-N 3.32Å
399E47.4Very low57.3Low121 Ų121120.3 Ų120.357%0.56561%0.612SS**Hα-helixtrans-77.4-32.2172.2-82-177.5164.400111.7V396 L403V396-E399 PolarHBondContact O-N 3.09Å; E399-L403 WeakPolarHBondContact O-CB 3.24Å; E399-L403 WeakPolarHBondContact O-CD1 3.22Å; E399-L403 PolarHBondContact O-N 3.32Å; E399-L403 VanDerWaalsContact O-N 3.09Å
400I51.1Low55.4Low88 Ų88122.1 Ų122.145%0.45163%0.627SS.*Hα-helixtrans-70.8-40.4175.8-64.5173000110.8V396 S397 L403 F404V396-I400 HydrophobicContact CG1-CD1 4.03Å; V396-I400 HydrophobicContact CG1-CG1 4.43Å; V396-I400 WeakPolarHBondContact O-CG1 3.5Å; V396-I400 PolarHBondContact O-N 3Å; S397-I400 PolarHBondContact O-N 2.84Å; I400-L403 PolarHBondContact O-N 3.17Å; I400-F404 HydrophobicContact CG2-CD2 3.86Å; I400-F404 HydrophobicContact CG2-CE2 4.11Å; I400-F404 WeakPolarHBondContact O-CD2 3.26Å; I400-F404 PolarHBondContact O-N 2.85Å
401D50.8Low53.4Low111 Ų111121.8 Ų121.859%0.59464%0.635SS**Hα-helixtrans-69.5-33.4178-74.9-21.3000112.9S397 Q405S397-D401 PolarHBondContact O-N 3.18Å; S397-D401 VanDerWaalsContact O-N 3.15Å; D401-Q405 PolarHBondContact O-N 3.39Å
402G49.8Very low51.4Low38 Ų38125.6 Ų125.639%0.39265%0.652SS.*Hα-helixtrans-70.9-34.9173.200000113.8E398 T406E398-G402 PolarHBondContact O-N 3.32Å; G402-T406 PolarHBondContact O-N 3.11Å; G402-T406 PolarHBondContact O-OG1 3.14Å
403L52.4Low50.1Low113 Ų113122.3 Ų122.359%0.59264%0.64SS**Hα-helixtrans-73.6-33.2175.4-94.1145000112.5E399 I400 T406E399-L403 WeakPolarHBondContact O-CB 3.24Å; E399-L403 WeakPolarHBondContact O-CD1 3.22Å; E399-L403 PolarHBondContact O-N 3.32Å; E399-L403 VanDerWaalsContact O-N 3.09Å; I400-L403 PolarHBondContact O-N 3.17Å; L403-T406 PolarHBondContact O-N 3.42Å
404F52.1Low49.7Very low141 Ų141119.3 Ų119.362%0.61863%0.631SS**Hα-helixtrans-73.8-28.8174.6-95.5-82000113.6I400 T406I400-F404 HydrophobicContact CG2-CD2 3.86Å; I400-F404 HydrophobicContact CG2-CE2 4.11Å; I400-F404 WeakPolarHBondContact O-CD2 3.26Å; I400-F404 PolarHBondContact O-N 2.85Å; F404-T406 VanDerWaalsContact C-N 3.29Å; F404-T406 PolarHBondContact O-N 3.15Å
405Q53.6Low49.9Very low169 Ų169117 Ų11779%0.7963%0.629SS**THydrogen-bonded Turntrans-77.7-9.7173.6-77.7-163-14.400114.6D401D401-Q405 PolarHBondContact O-N 3.39Å
406T57Low50.6Low118 Ų118118.9 Ų118.972%0.72463%0.634SS**THydrogen-bonded Turntrans-101.71176.4-35.60000112.3G402 L403 F404G402-T406 PolarHBondContact O-N 3.11Å; G402-T406 PolarHBondContact O-OG1 3.14Å; L403-T406 PolarHBondContact O-N 3.42Å; F404-T406 VanDerWaalsContact C-N 3.29Å; F404-T406 PolarHBondContact O-N 3.15Å
407L54.2Low51Low144 Ų144120.4 Ų120.475%0.75464%0.636SS**  trans-119.512.4-178.2-82.6162.1000113.9
408L51.1Low51.4Low213 Ų213125.3 Ų125.3100%1.11565%0.651SS**  trans-123.10165.4-78.2166.1000108.4

Retrieved 408 of 408 residues in 106.5 ms (Link to these results)

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