A0A5K4F8G1_SCHMA Loading...

GTP-binding protein Rheb

AlphaFold DB , UniProt , Accession A0A5K4F8G1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 187 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
1M53.3Low86.9Confident237 Ų23769.5 Ų69.5100%1.16733%0.328SS*.  01230-104.5-179.5-87.500104.9E3M1-E3 PolarHBondContact O-N 2.69Å
2H69.3Low87.5Confident122 Ų12263.8 Ų63.857%0.56530%0.302SS*.  trans-66.8114.7173.4167-60.7000107.4D56 S58H2-D56 PolarHBondContact CD2-O 3.3Å; H2-D56 VanDerWaalsContact CG-O 3.25Å; H2-S58 PolarHBondContact CE1-OG 3.42Å; H2-S58 PolarHBondContact NE2-OG 2.88Å
3E75.5Confident88Confident94 Ų9459.1 Ų59.144%0.43928%0.28SS..  trans-93.9133.9177.9-155161.4-146.600109.2M1 L5 D57 S58 Y176M1-E3 PolarHBondContact O-N 2.69Å; E3-L5 HydrophobicContact CG-CD2 4.32Å; E3-D57 PolarHBondContact N-OD1 2.79Å; E3-S58 PolarHBondContact O-N 2.84Å; E3-Y176 PolarHBondContact OE1-OH 3.38Å; E3-Y176 PolarHBondContact OE2-OH 3.17Å
4S87.1Confident88.3Confident67 Ų6756.1 Ų56.147%0.46927%0.269SS..EExtended strand (participates in β ladder)trans-105.9102.9174.5-176.40000107.7
5L95.1Very high88.5Confident14 Ų1458.7 Ų58.77%0.07328%0.281CS..EExtended strand (participates in β ladder)trans-80.6157.3176.9-61.6-179000110.2E3 S58 I59 E60 Y173 Y176E3-L5 HydrophobicContact CG-CD2 4.32Å; L5-S58 PolarHBondContact N-O 3.17Å; L5-I59 HydrophobicContact CB-CG1 3.88Å; L5-I59 HydrophobicContact CD1-CG1 4.44Å; L5-I59 CarbonylContact O-C 3.59Å; L5-I59 WeakPolarHBondContact O-CA 3.4Å; L5-E60 PolarHBondContact O-N 2.88Å; L5-Y173 HydrophobicContact CD1-CD2 3.65Å; L5-Y173 HydrophobicContact CD1-CE2 4.16Å; L5-Y176 HydrophobicContact CD1-CD1 3.66Å; L5-Y176 HydrophobicContact CD1-CD2 4.39Å; L5-Y176 HydrophobicContact CD1-CE1 4.08Å; L5-Y176 HydrophobicContact CD1-CG 3.82Å; L5-Y176 HydrophobicContact CD2-CD1 4.08Å; L5-Y176 HydrophobicContact CD2-CD2 4.1Å; L5-Y176 HydrophobicContact CD2-CE1 3.7Å; L5-Y176 HydrophobicContact CD2-CE2 3.74Å; L5-Y176 HydrophobicContact CD2-CG 4.25Å; L5-Y176 HydrophobicContact CG-CE1 4.47Å
6R96.2Very high88.7Confident169 Ų16958.4 Ų58.464%0.63829%0.286SS*.EExtended strand (participates in β ladder)trans-119138.9174.5-65.5-177.1166148.73.4109.6E60 F62 Y172R6-E60 HydrophobicContact CG-CB 4.26Å; R6-E60 IonicContact CZ-OE2 3.55Å; R6-E60 IonicContact NE-OE2 2.81Å; R6-E60 PolarHBondContact NE-OE2 3.44Å; R6-E60 IonicContact NH2-OE2 3.7Å; R6-F62 HydrophobicContact CB-CD2 4.5Å; R6-F62 HydrophobicContact CB-CE2 3.99Å; R6-F62 HydrophobicContact CG-CE2 3.93Å; R6-Y172 PolarHBondContact O-OH 3.26Å
7A96.8Very high89.1Confident0 Ų054.9 Ų54.90%027%0.269CS..EExtended strand (participates in β ladder)trans-140.3130.4176.900000111.1I59 E60 L61 F62 N84 L85 Y172A7-I59 HydrophobicContact CB-CG2 3.87Å; A7-E60 PolarHBondContact N-O 3.1Å; A7-L61 HydrophobicContact CB-CD2 4.08Å; A7-F62 PolarHBondContact O-N 3.17Å; A7-N84 HydrophobicContact CB-CB 4.08Å; A7-L85 HydrophobicContact CB-CD1 3.85Å; A7-L85 HydrophobicContact CB-CG 4.33Å; A7-Y172 HydrophobicContact CB-CD1 3.9Å; A7-Y172 HydrophobicContact CB-CE1 3.62Å
8K95.9Very high89.4Confident49 Ų4952.3 Ų52.321%0.21326%0.259CS..EExtended strand (participates in β ladder)trans-87119.4171.1-62.6-174.5-178.4172.20110.1Y10 F62 Y64 M82 N84 L85K8-Y10 HydrophobicContact CB-CE2 4.28Å; K8-F62 HydrophobicContact CG-CB 4.21Å; K8-Y64 HydrophobicContact CB-CD2 4.45Å; K8-Y64 HydrophobicContact CB-CE2 3.97Å; K8-Y64 HydrophobicContact CD-CE2 4.08Å; K8-Y64 HydrophobicContact CG-CE2 3.93Å; K8-M82 HydrophobicContact CD-CB 4.26Å; K8-M82 WeakPolarHBondContact CD-O 3.36Å; K8-N84 PolarHBondContact N-OD1 3.48Å; K8-N84 PolarHBondContact O-N 3.24Å; K8-L85 PolarHBondContact O-N 3.09Å
9C96.2Very high89.7Confident0 Ų050.1 Ų50.10%025%0.248CC..EExtended strand (participates in β ladder)trans-115.6120.8-179-179.40000110.3L61 F62 L63 Y64 L85C9-L61 HydrophobicContact CB-CD2 4.28Å; C9-F62 PolarHBondContact N-O 3.47Å; C9-L63 HydrophobicContact CB-CD2 3.98Å; C9-L63 WeakPolarHBondContact O-CA 3.29Å; C9-Y64 PolarHBondContact O-N 3.36Å; C9-L85 WeakPolarHBondContact CA-O 3.42Å; C9-L85 HydrophobicContact CB-CB 3.84Å; C9-L85 HydrophobicContact CB-CD1 4.19Å
10Y94.8Very high89.9Confident12 Ų1248.9 Ų48.95%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-100.7129178.5-71.5-83.5000110.9K8 Y64 I66 L75 T83 L85 V86 V87K8-Y10 HydrophobicContact CB-CE2 4.28Å; Y10-Y64 HydrophobicContact CD1-CD2 4.18Å; Y10-Y64 AromaticContact CD1-CG 3.9Å; Y10-Y64 HydrophobicContact CD1-CG 3.9Å; Y10-Y64 HydrophobicContact CE1-CD1 4.05Å; Y10-Y64 AromaticContact CE1-CD2 3.72Å; Y10-Y64 HydrophobicContact CE1-CD2 3.72Å; Y10-Y64 AromaticContact CE1-CG 3.44Å; Y10-Y64 HydrophobicContact CE1-CG 3.44Å; Y10-Y64 VanDerWaalsContact CE1-CG 3.44Å; Y10-Y64 HydrophobicContact CE2-CD2 4.26Å; Y10-Y64 AromaticContact CZ-CD2 3.8Å; Y10-Y64 AromaticContact CZ-CG 3.98Å; Y10-I66 HydrophobicContact CD1-CD1 3.93Å; Y10-I66 HydrophobicContact CD1-CG1 4.13Å; Y10-I66 HydrophobicContact CE1-CD1 4.31Å; Y10-L75 HydrophobicContact CD1-CD1 3.1Å; Y10-L75 HydrophobicContact CD1-CG 4.44Å; Y10-L75 HydrophobicContact CD2-CD1 4.24Å; Y10-L75 HydrophobicContact CE1-CD1 3Å; Y10-L75 HydrophobicContact CE1-CG 4.4Å; Y10-L75 HydrophobicContact CE2-CD1 4.15Å; Y10-L75 HydrophobicContact CG-CD1 3.75Å; Y10-T83 HydrophobicContact CD2-CG2 3.79Å; Y10-T83 WeakPolarHBondContact CD2-OG1 3.46Å; Y10-T83 HydrophobicContact CE2-CG2 4.37Å; Y10-T83 WeakPolarHBondContact CE2-OG1 3.24Å; Y10-L85 PolarHBondContact N-O 3.44Å; Y10-V86 WeakPolarHBondContact O-CA 3.34Å; Y10-V87 PolarHBondContact O-N 3.08Å
11I95.2Very high90.1Very high0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-102.7111.4178.1-42.1-59.2000108.1K19 V23 L63 Y64 I66 V87 V89 F165I11-K19 HydrophobicContact CG2-CB 3.81Å; I11-K19 HydrophobicContact CG2-CD 4.3Å; I11-K19 HydrophobicContact CG2-CG 4.11Å; I11-V23 HydrophobicContact CG1-CG2 3.81Å; I11-L63 HydrophobicContact CD1-CD2 4.44Å; I11-Y64 PolarHBondContact N-O 3.36Å; I11-I66 PolarHBondContact O-N 3.19Å; I11-I66 VanDerWaalsContact O-N 3.14Å; I11-V87 WeakPolarHBondContact CA-O 3.32Å; I11-V87 HydrophobicContact CD1-CB 3.72Å; I11-V87 HydrophobicContact CD1-CG2 3.74Å; I11-V87 HydrophobicContact CG2-CB 4.48Å; I11-V89 HydrophobicContact CG2-CG2 3.97Å; I11-F165 HydrophobicContact CD1-CE1 3.97Å; I11-F165 HydrophobicContact CD1-CZ 4.36Å
12L94.3Very high92.1Very high2 Ų236.4 Ų36.41%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-116.1162.9-170.9-51.1-177.9000111.4K19 I66 L72 V86 V87 V88 V89 T104 F108L12-K19 VanDerWaalsContact O-CD 3.31Å; L12-K19 WeakPolarHBondContact O-CD 3.35Å; L12-I66 HydrophobicContact CD2-CB 3.99Å; L12-I66 HydrophobicContact CD2-CG1 3.63Å; L12-I66 HydrophobicContact CD2-CG2 4.48Å; L12-L72 HydrophobicContact CD1-CD1 3.65Å; L12-L72 HydrophobicContact CD2-CD1 3.88Å; L12-L72 HydrophobicContact CG-CD1 4.35Å; L12-V86 HydrophobicContact CD1-CG1 3.7Å; L12-V86 HydrophobicContact CG-CG1 4.13Å; L12-V87 PolarHBondContact N-O 3.46Å; L12-V88 HydrophobicContact CB-CG2 4.3Å; L12-V88 HydrophobicContact CD1-CG2 4.48Å; L12-V89 PolarHBondContact O-N 2.85Å; L12-T104 HydrophobicContact CB-CG2 4.03Å; L12-T104 HydrophobicContact CD1-CG2 4.04Å; L12-F108 HydrophobicContact CD1-CD2 4.46Å
13G94.1Very high93.3Very high2 Ų230.9 Ų30.92%0.02116%0.158CC..  trans132.3172.7177.200000113.1K19G13-K19 WeakPolarHBondContact O-CE 3.34Å; G13-K19 PolarHBondContact O-NZ 3.29Å
14S92.4Very high94.1Very high17 Ų1729.9 Ų29.912%0.11915%0.154CC..  trans-56.2159.5-177-64.10000113.8C17 K19 S100S14-C17 PolarHBondContact O-SG 3.23Å; S14-K19 PolarHBondContact O-NZ 3.01Å; S14-S100 WeakPolarHBondContact OG-CB 3.27Å; S14-S100 PolarHBondContact OG-OG 3.5Å
15Q90.8Very high94.5Very high96 Ų9626.8 Ų26.845%0.44913%0.132SC..THydrogen-bonded Turntrans-56.9148.1166.7-67.2178.816.100109.8C17 M39 P67Q15-C17 PolarHBondContact O-N 3.09Å; Q15-M39 PolarHBondContact OE1-SD 3.45Å; Q15-P67 WeakPolarHBondContact CG-O 3.22Å
16S91.8Very high94.5Very high53 Ų5326.1 Ų26.137%0.37113%0.129SC..THydrogen-bonded Turntrans64.3-1.3177.982.60000118.4G18 Y37 K125S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.13Å; S16-Y37 WeakPolarHBondContact CA-OH 3.4Å; S16-Y37 PolarHBondContact N-OH 3.11Å; S16-K125 WeakPolarHBondContact O-CE 3.22Å; S16-K125 PolarHBondContact O-NZ 3.49Å
17C95Very high94.3Very high0 Ų020.1 Ų20.10%011%0.112CC..SBendtrans-68.3-12176.370.40000113.9S14 Q15 K19 V89 D91 N124S14-C17 PolarHBondContact O-SG 3.23Å; Q15-C17 PolarHBondContact O-N 3.09Å; C17-K19 WeakPolarHBondContact SG-CG 3.34Å; C17-V89 HydrophobicContact CB-CG1 4.38Å; C17-V89 PolarHBondContact SG-O 3Å; C17-D91 HydrophobicContact CB-CB 4.22Å; C17-N124 PolarHBondContact O-ND2 3.38Å
18G94.8Very high93.8Very high8 Ų820.9 Ų20.98%0.08212%0.118CC..SBendtrans103.220.817100000115.5S16 T20 S21 I22S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.13Å; G18-T20 PolarHBondContact O-N 2.96Å; G18-S21 WeakPolarHBondContact O-CB 3.39Å; G18-S21 PolarHBondContact O-N 3.48Å; G18-S21 VanDerWaalsContact O-N 3.12Å; G18-I22 WeakPolarHBondContact O-CG1 3.05Å; G18-I22 PolarHBondContact O-N 2.91Å
19K95.1Very high93.2Very high10 Ų1021.5 Ų21.54%0.04313%0.132CC..Hα-helixtrans-50.2-53.8175.9-53.5-171.5-60-76.20112.9I11 L12 G13 S14 C17 S21 I22 V23 N65 I66 V89I11-K19 HydrophobicContact CG2-CB 3.81Å; I11-K19 HydrophobicContact CG2-CD 4.3Å; I11-K19 HydrophobicContact CG2-CG 4.11Å; L12-K19 VanDerWaalsContact O-CD 3.31Å; L12-K19 WeakPolarHBondContact O-CD 3.35Å; G13-K19 WeakPolarHBondContact O-CE 3.34Å; G13-K19 PolarHBondContact O-NZ 3.29Å; S14-K19 PolarHBondContact O-NZ 3.01Å; C17-K19 WeakPolarHBondContact SG-CG 3.34Å; K19-S21 VanDerWaalsContact C-N 3.3Å; K19-S21 PolarHBondContact O-N 3.28Å; K19-I22 PolarHBondContact O-N 3.01Å; K19-V23 WeakPolarHBondContact O-CG2 3.01Å; K19-V23 PolarHBondContact O-N 3.47Å; K19-N65 WeakPolarHBondContact CB-OD1 3.41Å; K19-I66 WeakPolarHBondContact CE-O 3.49Å; K19-V89 HydrophobicContact CG-CB 4.07Å; K19-V89 HydrophobicContact CG-CG2 4.19Å
20T93.3Very high91.8Very high25 Ų2523.1 Ų23.115%0.15315%0.149CC..Hα-helixtrans-56.3-44.9176.7-47.30000111.7G18 V23 Q24 S40 E44 N65G18-T20 PolarHBondContact O-N 2.96Å; T20-V23 PolarHBondContact O-N 3.38Å; T20-Q24 WeakPolarHBondContact O-CB 3.48Å; T20-Q24 VanDerWaalsContact O-CG 3.3Å; T20-Q24 WeakPolarHBondContact O-CG 3.37Å; T20-Q24 PolarHBondContact O-N 3.35Å; T20-S40 PolarHBondContact OG1-OG 3.46Å; T20-E44 VanDerWaalsContact CG2-OE2 3.3Å; T20-E44 WeakPolarHBondContact CG2-OE2 3.32Å; T20-N65 PolarHBondContact OG1-ND2 2.83Å
21S94.4Very high90.5Very high22 Ų2232.5 Ų32.515%0.15418%0.184CC..Hα-helixtrans-67-37.7179.7-52.90000112.8G18 K19 S25G18-S21 WeakPolarHBondContact O-CB 3.39Å; G18-S21 PolarHBondContact O-N 3.48Å; G18-S21 VanDerWaalsContact O-N 3.12Å; K19-S21 VanDerWaalsContact C-N 3.3Å; K19-S21 PolarHBondContact O-N 3.28Å; S21-S25 WeakPolarHBondContact O-CB 3.33Å; S21-S25 PolarHBondContact O-N 2.91Å
22I96Very high89.3Confident3 Ų337.8 Ų37.82%0.01521%0.212CC..Hα-helixtrans-62.6-50.1173.6-71.6172000109.7G18 K19 Q24 S25 F26 V89 V122 N124 A155 I161 F165G18-I22 WeakPolarHBondContact O-CG1 3.05Å; G18-I22 PolarHBondContact O-N 2.91Å; K19-I22 PolarHBondContact O-N 3.01Å; I22-Q24 VanDerWaalsContact C-N 3.32Å; I22-Q24 PolarHBondContact O-N 3.48Å; I22-S25 PolarHBondContact O-N 3.29Å; I22-F26 WeakPolarHBondContact O-CB 3.3Å; I22-F26 PolarHBondContact O-N 3.2Å; I22-V89 HydrophobicContact CD1-CB 4.48Å; I22-V89 HydrophobicContact CD1-CG1 3.64Å; I22-V89 HydrophobicContact CD1-CG2 3.94Å; I22-V122 HydrophobicContact CD1-CG1 4.05Å; I22-N124 HydrophobicContact CD1-CB 4Å; I22-A155 HydrophobicContact CG1-CB 4.05Å; I22-I161 HydrophobicContact CB-CD1 4.5Å; I22-I161 HydrophobicContact CG1-CD1 4.12Å; I22-I161 HydrophobicContact CG2-CD1 4.34Å; I22-F165 HydrophobicContact CG2-CE2 3.92Å; I22-F165 HydrophobicContact CG2-CZ 3.96Å
23V95Very high87.9Confident5 Ų541.7 Ų41.73%0.0323%0.229CC..Hα-helixtrans-58.7-45.2179.8172.20000110.9I11 K19 T20 F26 C27 V46 L63 N65I11-V23 HydrophobicContact CG1-CG2 3.81Å; K19-V23 WeakPolarHBondContact O-CG2 3.01Å; K19-V23 PolarHBondContact O-N 3.47Å; T20-V23 PolarHBondContact O-N 3.38Å; V23-F26 PolarHBondContact O-N 3.38Å; V23-C27 VanDerWaalsContact O-CB 3.31Å; V23-C27 WeakPolarHBondContact O-CB 3.38Å; V23-C27 PolarHBondContact O-N 3.37Å; V23-C27 PolarHBondContact O-SG 3.49Å; V23-V46 HydrophobicContact CG1-CB 4.42Å; V23-V46 HydrophobicContact CG1-CG2 4.22Å; V23-L63 HydrophobicContact CG1-CD1 4.12Å; V23-N65 HydrophobicContact CG2-CB 4.47Å
24Q92.9Very high86.4Confident73 Ų7343.9 Ų43.934%0.34124%0.243SC..Hα-helixtrans-66.2-45.4178.5-73169.3-22.400112.9T20 I22 F26 C27 S28T20-Q24 WeakPolarHBondContact O-CB 3.48Å; T20-Q24 VanDerWaalsContact O-CG 3.3Å; T20-Q24 WeakPolarHBondContact O-CG 3.37Å; T20-Q24 PolarHBondContact O-N 3.35Å; I22-Q24 VanDerWaalsContact C-N 3.32Å; I22-Q24 PolarHBondContact O-N 3.48Å; Q24-F26 VanDerWaalsContact C-N 3.31Å; Q24-F26 PolarHBondContact O-N 3.01Å; Q24-C27 PolarHBondContact O-N 2.81Å; Q24-S28 VanDerWaalsContact O-CB 3.29Å; Q24-S28 WeakPolarHBondContact O-CB 3.42Å; Q24-S28 PolarHBondContact O-N 3.44Å; Q24-S28 PolarHBondContact O-OG 3.09Å
25S94.2Very high84.9Confident2 Ų252.8 Ų52.81%0.01428%0.28CS..Hα-helixtrans-61.5-43.2177.1-1720000110.5S21 I22 S28 A29 G30 A155S21-S25 WeakPolarHBondContact O-CB 3.33Å; S21-S25 PolarHBondContact O-N 2.91Å; I22-S25 PolarHBondContact O-N 3.29Å; S25-S28 PolarHBondContact O-OG 3.38Å; S25-A29 PolarHBondContact O-N 2.98Å; S25-A29 VanDerWaalsContact O-N 3.17Å; S25-G30 PolarHBondContact O-N 3.18Å; S25-A155 PolarHBondContact OG-O 3.12Å; S25-A155 VanDerWaalsContact OG-O 3.13Å
26F95Very high83.6Confident0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-62.3-50176175.8-119.7000111.7I22 V23 Q24 S28 A29 K48 M50 L61 L63 I161 D162 F165I22-F26 WeakPolarHBondContact O-CB 3.3Å; I22-F26 PolarHBondContact O-N 3.2Å; V23-F26 PolarHBondContact O-N 3.38Å; Q24-F26 VanDerWaalsContact C-N 3.31Å; Q24-F26 PolarHBondContact O-N 3.01Å; F26-S28 PolarHBondContact O-N 3.35Å; F26-A29 PolarHBondContact O-N 3.18Å; F26-K48 HydrophobicContact CD1-CD 4Å; F26-K48 HydrophobicContact CE1-CB 4.32Å; F26-K48 HydrophobicContact CE1-CD 3.54Å; F26-K48 HydrophobicContact CE1-CG 4.06Å; F26-K48 HydrophobicContact CE2-CD 4.33Å; F26-K48 HydrophobicContact CZ-CD 3.7Å; F26-K48 HydrophobicContact CZ-CG 4.24Å; F26-K48 PolarHBondContact O-NZ 2.99Å; F26-M50 HydrophobicContact CE2-CE 4.43Å; F26-M50 HydrophobicContact CE2-SD 4.12Å; F26-M50 HydrophobicContact CZ-CE 4.36Å; F26-M50 HydrophobicContact CZ-CG 4.12Å; F26-M50 HydrophobicContact CZ-SD 3.49Å; F26-M50 WeakPolarHBondContact CZ-SD 3.48Å; F26-L61 HydrophobicContact CE1-CD1 4.44Å; F26-L61 HydrophobicContact CZ-CD1 4.46Å; F26-L63 HydrophobicContact CD1-CD1 3.91Å; F26-L63 HydrophobicContact CE1-CD1 4.04Å; F26-I161 VanDerWaalsContact CA-CG2 3.46Å; F26-I161 HydrophobicContact CB-CG2 3.58Å; F26-I161 HydrophobicContact CD2-CG2 4.3Å; F26-I161 HydrophobicContact CG-CG2 4.43Å; F26-D162 VanDerWaalsContact CD2-OD1 3.22Å; F26-D162 WeakPolarHBondContact CD2-OD1 3.45Å; F26-D162 WeakPolarHBondContact CE2-OD1 3.5Å; F26-F165 HydrophobicContact CB-CD2 4.37Å; F26-F165 HydrophobicContact CB-CE2 3.94Å; F26-F165 HydrophobicContact CD1-CD1 4.36Å; F26-F165 AromaticContact CD1-CD2 3.98Å; F26-F165 HydrophobicContact CD1-CD2 3.98Å; F26-F165 HydrophobicContact CD1-CE1 4.34Å; F26-F165 AromaticContact CD1-CE2 3.96Å; F26-F165 HydrophobicContact CD1-CE2 3.96Å; F26-F165 HydrophobicContact CD1-CG 4.19Å; F26-F165 HydrophobicContact CD1-CZ 4.15Å; F26-F165 AromaticContact CD2-CD2 3.53Å; F26-F165 HydrophobicContact CD2-CD2 3.53Å; F26-F165 AromaticContact CD2-CE2 3.98Å; F26-F165 HydrophobicContact CD2-CE2 3.98Å; F26-F165 HydrophobicContact CD2-CG 4.15Å; F26-F165 HydrophobicContact CE1-CB 4.31Å; F26-F165 HydrophobicContact CE1-CD1 4.08Å; F26-F165 HydrophobicContact CE1-CD2 4.12Å; F26-F165 HydrophobicContact CE1-CE1 4.45Å; F26-F165 AromaticContact CE1-CG 3.91Å; F26-F165 HydrophobicContact CE1-CG 3.91Å; F26-F165 HydrophobicContact CE2-CB 3.83Å; F26-F165 AromaticContact CE2-CD2 3.72Å; F26-F165 HydrophobicContact CE2-CD2 3.72Å; F26-F165 AromaticContact CE2-CG 3.89Å; F26-F165 HydrophobicContact CE2-CG 3.89Å; F26-F165 AromaticContact CG-CD2 3.68Å; F26-F165 HydrophobicContact CG-CD2 3.68Å; F26-F165 AromaticContact CG-CE2 3.68Å; F26-F165 HydrophobicContact CG-CE2 3.68Å; F26-F165 HydrophobicContact CG-CG 4.31Å; F26-F165 HydrophobicContact CG-CZ 4.29Å; F26-F165 HydrophobicContact CZ-CB 3.73Å; F26-F165 HydrophobicContact CZ-CD1 4.34Å; F26-F165 HydrophobicContact CZ-CD2 4.02Å; F26-F165 AromaticContact CZ-CG 3.77Å; F26-F165 HydrophobicContact CZ-CG 3.77Å
27C91.8Very high82.4Confident44 Ų4457.5 Ų57.530%0.29730%0.295SS..Hα-helixtrans-67.6-35.3-178.4-71.10000113.2V23 Q24 A29 V46V23-C27 VanDerWaalsContact O-CB 3.31Å; V23-C27 WeakPolarHBondContact O-CB 3.38Å; V23-C27 PolarHBondContact O-N 3.37Å; V23-C27 PolarHBondContact O-SG 3.49Å; Q24-C27 PolarHBondContact O-N 2.81Å; C27-A29 VanDerWaalsContact C-N 3.28Å; C27-A29 PolarHBondContact O-N 2.93Å; C27-V46 HydrophobicContact CB-CG1 4.38Å; C27-V46 VanDerWaalsContact SG-CG1 3.52Å
28S88Confident81.2Confident16 Ų1665.4 Ų65.411%0.11233%0.329CS..Hα-helixtrans-82.3-1.8178.5650000114.2Q24 S25 F26 G30 R31 D32Q24-S28 VanDerWaalsContact O-CB 3.29Å; Q24-S28 WeakPolarHBondContact O-CB 3.42Å; Q24-S28 PolarHBondContact O-N 3.44Å; Q24-S28 PolarHBondContact O-OG 3.09Å; S25-S28 PolarHBondContact O-OG 3.38Å; F26-S28 PolarHBondContact O-N 3.35Å; S28-G30 VanDerWaalsContact C-N 3.27Å; S28-G30 PolarHBondContact O-N 3.44Å; S28-R31 WeakPolarHBondContact O-CB 3.22Å; S28-R31 PolarHBondContact O-N 2.58Å; S28-R31 PolarHBondContact O-NE 3.01Å; S28-R31 PolarHBondContact OG-N 3.28Å; S28-D32 WeakPolarHBondContact CB-OD2 3.22Å; S28-D32 PolarHBondContact OG-N 3.27Å; S28-D32 VanDerWaalsContact OG-N 3.09Å; S28-D32 PolarHBondContact OG-O 2.83Å
29A82.5Confident80.2Confident62 Ų6269.3 Ų69.351%0.51235%0.346SS..THydrogen-bonded Turntrans53.146.4-17000000111.7S25 F26 C27 R31S25-A29 PolarHBondContact O-N 2.98Å; S25-A29 VanDerWaalsContact O-N 3.17Å; F26-A29 PolarHBondContact O-N 3.18Å; C27-A29 VanDerWaalsContact C-N 3.28Å; C27-A29 PolarHBondContact O-N 2.93Å; A29-R31 VanDerWaalsContact C-N 3.26Å; A29-R31 PolarHBondContact O-N 2.92Å
30G67.2Low79.1Confident34 Ų3469.3 Ų69.335%0.35135%0.348SS..THydrogen-bonded Turntrans75.52.9177.400000115.6S25 S28S25-G30 PolarHBondContact O-N 3.18Å; S28-G30 VanDerWaalsContact C-N 3.27Å; S28-G30 PolarHBondContact O-N 3.44Å
31R67.1Low78.2Confident209 Ų20976.7 Ų76.779%0.78938%0.378SS*.SBendtrans-78.4-29.3-176.8-71.5-175.4-99.3177.1-10.3113.8S28 A29S28-R31 WeakPolarHBondContact O-CB 3.22Å; S28-R31 PolarHBondContact O-N 2.58Å; S28-R31 PolarHBondContact O-NE 3.01Å; S28-R31 PolarHBondContact OG-N 3.28Å; A29-R31 VanDerWaalsContact C-N 3.26Å; A29-R31 PolarHBondContact O-N 2.92Å
32D69Low77.4Confident110 Ų11080.3 Ų80.359%0.58840%0.399SS*.  trans-119.6119.6-175.7-61.7-50.4000110.9S28S28-D32 WeakPolarHBondContact CB-OD2 3.22Å; S28-D32 PolarHBondContact OG-N 3.27Å; S28-D32 VanDerWaalsContact OG-N 3.09Å; S28-D32 PolarHBondContact OG-O 2.83Å
33F64.8Low76.7Confident84 Ų8483.3 Ų83.337%0.36842%0.417SS..  trans-127.9122.3166.3-173.1-94.4000109.7K35 A155 K156F33-K35 PolarHBondContact O-N 2.77Å; F33-A155 VanDerWaalsContact CD2-C 3.46Å; F33-A155 HydrophobicContact CD2-CB 4.23Å; F33-A155 VanDerWaalsContact CD2-O 3.23Å; F33-A155 WeakPolarHBondContact CD2-O 3.45Å; F33-A155 VanDerWaalsContact CE2-C 3.5Å; F33-A155 HydrophobicContact CE2-CB 3.77Å; F33-K156 HydrophobicContact CD1-CB 4.41Å; F33-K156 HydrophobicContact CD1-CG 4.25Å; F33-K156 VanDerWaalsContact CD2-CA 3.46Å; F33-K156 HydrophobicContact CD2-CB 4.29Å; F33-K156 HydrophobicContact CE1-CB 4.04Å; F33-K156 HydrophobicContact CE1-CG 4.05Å; F33-K156 VanDerWaalsContact CE2-CA 3.44Å; F33-K156 HydrophobicContact CE2-CB 3.86Å; F33-K156 VanDerWaalsContact CE2-N 3.33Å; F33-K156 HydrophobicContact CZ-CB 3.74Å; F33-K156 HydrophobicContact CZ-CG 4.27Å
34P62.8Low76.2Confident48 Ų4886.1 Ų86.131%0.31243%0.43SS..  trans-67.5126.5179.6-5.716.1000110.6N36P34-N36 PolarHBondContact O-N 3.26Å
35K62.3Low76Confident205 Ų20587.5 Ų87.589%0.89144%0.435SS*.SBendtrans-71-21.8173.9-66.1-175.4179.8179.70113.1F33F33-K35 PolarHBondContact O-N 2.77Å
36N63.8Low76Confident113 Ų11390 Ų9060%0.60445%0.45SS*.SBendtrans-112.8128.3-178.4-65.1-21.9000109.9P34 F38P34-N36 PolarHBondContact O-N 3.26Å; N36-F38 HydrophobicContact CB-CD2 4.44Å; N36-F38 HydrophobicContact CB-CE2 3.85Å; N36-F38 HydrophobicContact CB-CZ 4.46Å
37Y65.7Low75.9Confident135 Ų13592.8 Ų92.853%0.52947%0.467SS..  trans-76.9122.6172.9176.6-102.7000110S16 M39S16-Y37 WeakPolarHBondContact CA-OH 3.4Å; S16-Y37 PolarHBondContact N-OH 3.11Å; Y37-M39 HydrophobicContact CE1-CB 3.96Å
38F70.6Confident76.1Confident166 Ų16692.9 Ų92.973%0.72846%0.462SS*.  trans-114.8124.3163.8-67.9-82000107.9N36 S40N36-F38 HydrophobicContact CB-CD2 4.44Å; N36-F38 HydrophobicContact CB-CE2 3.85Å; N36-F38 HydrophobicContact CB-CZ 4.46Å; F38-S40 PolarHBondContact O-N 3Å
39M72.5Confident76.4Confident89 Ų8996.1 Ų96.144%0.43848%0.482SS..  trans-64.8120.8175.2-173171.480.500109.1Q15 Y37 K41Q15-M39 PolarHBondContact OE1-SD 3.45Å; Y37-M39 HydrophobicContact CE1-CB 3.96Å; M39-K41 PolarHBondContact O-N 3.31Å; M39-K41 VanDerWaalsContact O-N 3.14Å
40S72.2Confident77Confident11 Ų1194 Ų948%0.07746%0.461CS..  trans-60.7117.6173.4-61.90000108.3T20 F38 E44 P67T20-S40 PolarHBondContact OG1-OG 3.46Å; F38-S40 PolarHBondContact O-N 3Å; S40-E44 WeakPolarHBondContact CB-OE1 3.25Å; S40-E44 PolarHBondContact OG-OE1 3.13Å; S40-P67 WeakPolarHBondContact O-CB 3.38Å
41K74.5Confident78.2Confident180 Ų18098.6 Ų98.678%0.78348%0.477SS*.  trans-94.1-18.4178.3-67.1-174.8178.9-1780112.4M39M39-K41 PolarHBondContact O-N 3.31Å; M39-K41 VanDerWaalsContact O-N 3.14Å
42T78Confident79.4Confident98 Ų9888.9 Ų88.960%0.60144%0.44SS*.SBendtrans-130.3162.4-177.557.20000109.4E44T42-E44 PolarHBondContact O-N 3.31Å
43V80.7Confident80.4Confident66 Ų6686.7 Ų86.740%0.443%0.432SS..  trans-63122.2168.1177.50000108.3Y64 N65 I66 V71V43-Y64 HydrophobicContact CG1-CD1 4.18Å; V43-N65 WeakPolarHBondContact CA-O 3.25Å; V43-I66 HydrophobicContact CG1-CD1 3.95Å; V43-I66 HydrophobicContact CG2-CD1 3.8Å; V43-V71 HydrophobicContact CG2-CG1 3.98Å
44E85.6Confident81.7Confident63 Ų6386.8 Ų86.829%0.29446%0.457SS..EExtended strand (participates in β ladder)trans-95.6140.8173.4-63162.7-168.900108.9T20 S40 T42 N65T20-E44 VanDerWaalsContact CG2-OE2 3.3Å; T20-E44 WeakPolarHBondContact CG2-OE2 3.32Å; S40-E44 WeakPolarHBondContact CB-OE1 3.25Å; S40-E44 PolarHBondContact OG-OE1 3.13Å; T42-E44 PolarHBondContact O-N 3.31Å; E44-N65 HydrophobicContact CB-CB 4.11Å; E44-N65 PolarHBondContact N-O 3.4Å; E44-N65 VanDerWaalsContact N-O 3.12Å; E44-N65 PolarHBondContact O-N 3.39Å; E44-N65 PolarHBondContact OE2-ND2 2.98Å
45F88.9Confident83Confident102 Ų10287 Ų8745%0.44746%0.457SS..EExtended strand (participates in β ladder)trans-125.6127.2-174.7172.4-104.8000110.4V47 F62 L63 Y64F45-V47 HydrophobicContact CE1-CG2 3.66Å; F45-V47 HydrophobicContact CE2-CG2 4.13Å; F45-V47 HydrophobicContact CZ-CG2 3.27Å; F45-F62 HydrophobicContact CE2-CB 3.89Å; F45-F62 AromaticContact CE2-CD1 3.59Å; F45-F62 HydrophobicContact CE2-CD1 3.59Å; F45-F62 HydrophobicContact CE2-CG 4.17Å; F45-F62 AromaticContact CZ-CD1 3.46Å; F45-F62 HydrophobicContact CZ-CD1 3.46Å; F45-F62 VanDerWaalsContact CZ-CD1 3.46Å; F45-F62 HydrophobicContact CZ-CE1 4.03Å; F45-F62 HydrophobicContact CZ-CG 4.35Å; F45-L63 WeakPolarHBondContact CA-O 3.48Å; F45-Y64 HydrophobicContact CD2-CD1 4.02Å; F45-Y64 AromaticContact CD2-CE1 3.71Å; F45-Y64 HydrophobicContact CD2-CE1 3.71Å; F45-Y64 HydrophobicContact CD2-CE2 4.44Å; F45-Y64 AromaticContact CD2-CZ 3.94Å; F45-Y64 HydrophobicContact CE2-CE1 4.16Å; F45-Y64 HydrophobicContact CE2-CE2 4.33Å; F45-Y64 AromaticContact CE2-CZ 3.92Å
46V93.2Very high84.3Confident55 Ų5584.2 Ų84.233%0.33345%0.452SS..EExtended strand (participates in β ladder)trans-138.1141176.3-175.40000109.4V23 C27 L63V23-V46 HydrophobicContact CG1-CB 4.42Å; V23-V46 HydrophobicContact CG1-CG2 4.22Å; C27-V46 HydrophobicContact CB-CG1 4.38Å; C27-V46 VanDerWaalsContact SG-CG1 3.52Å; V46-L63 PolarHBondContact N-O 3.3Å; V46-L63 WeakPolarHBondContact O-CB 3.34Å; V46-L63 PolarHBondContact O-N 2.74Å
47V93.9Very high85.7Confident59 Ų5979.8 Ų79.836%0.35843%0.428SS..EExtended strand (participates in β ladder)trans-105.2133.9173.2-177.30000109.7F45 E60 L61 F62F45-V47 HydrophobicContact CE1-CG2 3.66Å; F45-V47 HydrophobicContact CE2-CG2 4.13Å; F45-V47 HydrophobicContact CZ-CG2 3.27Å; V47-E60 HydrophobicContact CG1-CG 3.41Å; V47-E60 VanDerWaalsContact CG1-CG 3.41Å; V47-L61 CarbonylContact C-O 3.57Å; V47-L61 VanDerWaalsContact CA-O 3.28Å; V47-L61 WeakPolarHBondContact CA-O 3.39Å; V47-F62 HydrophobicContact CG2-CD1 4.16Å; V47-F62 HydrophobicContact CG2-CE1 4.2Å
48K94.4Very high87.1Confident45 Ų4573.7 Ų73.720%0.19641%0.406CS..EExtended strand (participates in β ladder)trans-137.7124.7172.1172.6152.7171.3160.10110.7F26 M50 L61F26-K48 HydrophobicContact CD1-CD 4Å; F26-K48 HydrophobicContact CE1-CB 4.32Å; F26-K48 HydrophobicContact CE1-CD 3.54Å; F26-K48 HydrophobicContact CE1-CG 4.06Å; F26-K48 HydrophobicContact CE2-CD 4.33Å; F26-K48 HydrophobicContact CZ-CD 3.7Å; F26-K48 HydrophobicContact CZ-CG 4.24Å; F26-K48 PolarHBondContact O-NZ 2.99Å; K48-M50 HydrophobicContact CG-CG 4.4Å; K48-L61 PolarHBondContact N-O 2.87Å; K48-L61 WeakPolarHBondContact O-CB 3.2Å; K48-L61 PolarHBondContact O-N 3.36Å
49T94.5Very high88.4Confident84 Ų8465.8 Ų65.852%0.51537%0.371SS..EExtended strand (participates in β ladder)trans-82.4134.4171.4-51.20000110.2I59T49-I59 CarbonylContact C-O 3.53Å; T49-I59 WeakPolarHBondContact CA-O 3.28Å
50M94.5Very high89.5Confident17 Ų1763.7 Ų63.78%0.08436%0.36CS..EExtended strand (participates in β ladder)trans-124.9136175.6-70.4-166.770.100111.2F26 K48 S58 I59 L61 F165 L166 I169F26-M50 HydrophobicContact CE2-CE 4.43Å; F26-M50 HydrophobicContact CE2-SD 4.12Å; F26-M50 HydrophobicContact CZ-CE 4.36Å; F26-M50 HydrophobicContact CZ-CG 4.12Å; F26-M50 HydrophobicContact CZ-SD 3.49Å; F26-M50 WeakPolarHBondContact CZ-SD 3.48Å; K48-M50 HydrophobicContact CG-CG 4.4Å; M50-S58 CarbonylContact O-C 3.38Å; M50-S58 VanDerWaalsContact O-CA 3.22Å; M50-S58 WeakPolarHBondContact O-CA 3.48Å; M50-S58 WeakPolarHBondContact O-CB 3.49Å; M50-I59 PolarHBondContact N-O 3.35Å; M50-I59 PolarHBondContact O-N 3.08Å; M50-L61 HydrophobicContact CG-CD1 4.05Å; M50-L61 HydrophobicContact SD-CD1 3.55Å; M50-L61 VanDerWaalsContact SD-CD1 3.55Å; M50-F165 HydrophobicContact SD-CB 4Å; M50-L166 HydrophobicContact CE-CB 4.46Å; M50-L166 HydrophobicContact CE-CD2 3.3Å; M50-L166 HydrophobicContact CE-CG 3.62Å; M50-I169 HydrophobicContact CB-CD1 3.67Å; M50-I169 HydrophobicContact CE-CD1 3.67Å; M50-I169 HydrophobicContact CE-CG1 4.49Å; M50-I169 HydrophobicContact CG-CD1 4.47Å; M50-I169 HydrophobicContact SD-CD1 3.94Å; M50-I169 HydrophobicContact SD-CG2 4.1Å
51I93.1Very high90.7Very high131 Ų13163.3 Ų63.367%0.67236%0.357SS*.EExtended strand (participates in β ladder)trans-79.2134.8171.1-56.2174.2000108.4P53I51-P53 WeakPolarHBondContact O-CD 3.49Å
52I92.7Very high91.7Very high5 Ų556.7 Ų56.73%0.02633%0.328CS..PPolyproline II helixtrans-82.9120.8177.4-56.8163.8000108G54 V55 D57 I59 I169 K170 Y173I52-G54 PolarHBondContact O-N 2.68Å; I52-V55 HydrophobicContact CB-CG2 3.47Å; I52-V55 VanDerWaalsContact CB-CG2 3.47Å; I52-V55 HydrophobicContact CD1-CG2 4.36Å; I52-V55 HydrophobicContact CG2-CG2 3.49Å; I52-V55 VanDerWaalsContact CG2-CG2 3.49Å; I52-V55 PolarHBondContact O-N 3.28Å; I52-V55 VanDerWaalsContact O-O 3.1Å; I52-D57 HydrophobicContact CD1-CB 4.05Å; I52-D57 PolarHBondContact N-O 3.12Å; I52-D57 VanDerWaalsContact N-O 3.08Å; I52-I59 HydrophobicContact CD1-CD1 3.69Å; I52-I59 HydrophobicContact CD1-CG1 3.88Å; I52-I59 HydrophobicContact CG1-CD1 3.97Å; I52-I59 HydrophobicContact CG1-CG1 4.26Å; I52-I169 HydrophobicContact CG1-CD1 4.37Å; I52-K170 HydrophobicContact CG2-CG 4.48Å; I52-Y173 HydrophobicContact CD1-CD1 4.27Å; I52-Y173 HydrophobicContact CD1-CD2 3.3Å; I52-Y173 HydrophobicContact CD1-CE2 3.82Å; I52-Y173 HydrophobicContact CD1-CG 3.55Å; I52-Y173 HydrophobicContact CG2-CD1 4.22Å; I52-Y173 HydrophobicContact CG2-CG 4.36Å
53P90.5Very high92.6Very high64 Ų6452 Ų5242%0.41630%0.3SS..THydrogen-bonded Turntrans-61.9128.3-175.6-25.935.5000112.8I51 L166I51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-L166 HydrophobicContact CG-CD2 4.09Å
54G91.3Very high93.2Very high87 Ų8751.2 Ų51.290%0.89729%0.29SS*.THydrogen-bonded Turntrans88.3-0.2175.400000115.2I52I52-G54 PolarHBondContact O-N 2.68Å
55V89.3Confident93.5Very high52 Ų5248.3 Ų48.332%0.31528%0.276SS..SBendtrans-132.8158.2173.9-58.90000110.4I52 D57 Y173I52-V55 HydrophobicContact CB-CG2 3.47Å; I52-V55 VanDerWaalsContact CB-CG2 3.47Å; I52-V55 HydrophobicContact CD1-CG2 4.36Å; I52-V55 HydrophobicContact CG2-CG2 3.49Å; I52-V55 VanDerWaalsContact CG2-CG2 3.49Å; I52-V55 PolarHBondContact O-N 3.28Å; I52-V55 VanDerWaalsContact O-O 3.1Å; V55-D57 HydrophobicContact CG2-CB 4.27Å; V55-D57 PolarHBondContact O-N 2.86Å; V55-Y173 HydrophobicContact CB-CE1 4.42Å; V55-Y173 HydrophobicContact CG1-CE1 4.09Å; V55-Y173 HydrophobicContact CG2-CE1 3.91Å
56D90.3Very high93.6Very high146 Ų14643.7 Ų43.778%0.78126%0.256SS*.SBendtrans-85.622.6-179.9-73.6-21.1000112.7H2H2-D56 PolarHBondContact CD2-O 3.3Å; H2-D56 VanDerWaalsContact CG-O 3.25Å
57D93.5Very high93.1Very high20 Ų2041.8 Ų41.811%0.10725%0.245CC..  trans-110.3160.9179.1-69-27.8000111.6E3 I52 V55 Y173E3-D57 PolarHBondContact N-OD1 2.79Å; I52-D57 HydrophobicContact CD1-CB 4.05Å; I52-D57 PolarHBondContact N-O 3.12Å; I52-D57 VanDerWaalsContact N-O 3.08Å; V55-D57 HydrophobicContact CG2-CB 4.27Å; V55-D57 PolarHBondContact O-N 2.86Å; D57-Y173 HydrophobicContact CB-CE2 3.9Å; D57-Y173 VanDerWaalsContact OD2-CE2 3.3Å; D57-Y173 WeakPolarHBondContact OD2-CE2 2.79Å; D57-Y173 VanDerWaalsContact OD2-CZ 3.3Å; D57-Y173 PolarHBondContact OD2-OH 3.45Å
58S95.3Very high92.2Very high8 Ų839.3 Ų39.36%0.05623%0.232CC..EExtended strand (participates in β ladder)trans-135.8158.8176.151.50000112.5H2 E3 L5 M50H2-S58 PolarHBondContact CE1-OG 3.42Å; H2-S58 PolarHBondContact NE2-OG 2.88Å; E3-S58 PolarHBondContact O-N 2.84Å; L5-S58 PolarHBondContact N-O 3.17Å; M50-S58 CarbonylContact O-C 3.38Å; M50-S58 VanDerWaalsContact O-CA 3.22Å; M50-S58 WeakPolarHBondContact O-CA 3.48Å; M50-S58 WeakPolarHBondContact O-CB 3.49Å
59I96.7Very high91.2Very high0 Ų040 Ų400%024%0.238CC..EExtended strand (participates in β ladder)trans-117.6123.9175.5-72.6160.7000109.3L5 A7 T49 M50 I52 L61 I169 Y172L5-I59 HydrophobicContact CB-CG1 3.88Å; L5-I59 HydrophobicContact CD1-CG1 4.44Å; L5-I59 CarbonylContact O-C 3.59Å; L5-I59 WeakPolarHBondContact O-CA 3.4Å; A7-I59 HydrophobicContact CB-CG2 3.87Å; T49-I59 CarbonylContact C-O 3.53Å; T49-I59 WeakPolarHBondContact CA-O 3.28Å; M50-I59 PolarHBondContact N-O 3.35Å; M50-I59 PolarHBondContact O-N 3.08Å; I52-I59 HydrophobicContact CD1-CD1 3.69Å; I52-I59 HydrophobicContact CD1-CG1 3.88Å; I52-I59 HydrophobicContact CG1-CD1 3.97Å; I52-I59 HydrophobicContact CG1-CG1 4.26Å; I59-L61 HydrophobicContact CG2-CD2 3.96Å; I59-L61 HydrophobicContact CG2-CG 4.03Å; I59-L61 PolarHBondContact O-N 2.89Å; I59-I169 HydrophobicContact CB-CG2 4.33Å; I59-I169 HydrophobicContact CD1-CB 3.65Å; I59-I169 HydrophobicContact CD1-CG2 4.21Å; I59-I169 VanDerWaalsContact CD1-O 3.25Å; I59-I169 WeakPolarHBondContact CD1-O 3.29Å; I59-I169 HydrophobicContact CG2-CG2 4.19Å; I59-Y172 HydrophobicContact CD1-CD1 3.88Å; I59-Y172 HydrophobicContact CG1-CD1 4.47Å
60E96.5Very high90.2Very high45 Ų4543.8 Ų43.821%0.2125%0.25CC..EExtended strand (participates in β ladder)trans-81.4104.1165.1-172.3175.4-126.300108.8L5 R6 A7 V47 F62L5-E60 PolarHBondContact O-N 2.88Å; R6-E60 HydrophobicContact CG-CB 4.26Å; R6-E60 IonicContact CZ-OE2 3.55Å; R6-E60 IonicContact NE-OE2 2.81Å; R6-E60 PolarHBondContact NE-OE2 3.44Å; R6-E60 IonicContact NH2-OE2 3.7Å; A7-E60 PolarHBondContact N-O 3.1Å; V47-E60 HydrophobicContact CG1-CG 3.41Å; V47-E60 VanDerWaalsContact CG1-CG 3.41Å; E60-F62 HydrophobicContact CB-CE2 4.21Å; E60-F62 HydrophobicContact CG-CD2 4.37Å; E60-F62 HydrophobicContact CG-CE2 3.67Å; E60-F62 HydrophobicContact CG-CZ 4.21Å; E60-F62 WeakPolarHBondContact O-CD2 3.3Å; E60-F62 WeakPolarHBondContact OE2-CE2 3.39Å; E60-F62 WeakPolarHBondContact OE2-CZ 3.43Å
61L96.8Very high89.3Confident2 Ų245.4 Ų45.41%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-84.7120.4178.3-73.9172.3000110.9A7 C9 F26 V47 K48 M50 I59 L63 L85 I169A7-L61 HydrophobicContact CB-CD2 4.08Å; C9-L61 HydrophobicContact CB-CD2 4.28Å; F26-L61 HydrophobicContact CE1-CD1 4.44Å; F26-L61 HydrophobicContact CZ-CD1 4.46Å; V47-L61 CarbonylContact C-O 3.57Å; V47-L61 VanDerWaalsContact CA-O 3.28Å; V47-L61 WeakPolarHBondContact CA-O 3.39Å; K48-L61 PolarHBondContact N-O 2.87Å; K48-L61 WeakPolarHBondContact O-CB 3.2Å; K48-L61 PolarHBondContact O-N 3.36Å; M50-L61 HydrophobicContact CG-CD1 4.05Å; M50-L61 HydrophobicContact SD-CD1 3.55Å; M50-L61 VanDerWaalsContact SD-CD1 3.55Å; I59-L61 HydrophobicContact CG2-CD2 3.96Å; I59-L61 HydrophobicContact CG2-CG 4.03Å; I59-L61 PolarHBondContact O-N 2.89Å; L61-L63 HydrophobicContact CB-CD2 4.33Å; L61-L63 HydrophobicContact CB-CG 4.45Å; L61-L85 HydrophobicContact CD2-CD1 3.33Å; L61-I169 HydrophobicContact CD1-CG2 3.78Å; L61-I169 HydrophobicContact CD2-CG2 3.94Å; L61-I169 HydrophobicContact CG-CG2 4.04Å
62F96.3Very high88.5Confident41 Ų4139.3 Ų39.318%0.1823%0.229CC..EExtended strand (participates in β ladder)trans-92.595.9170.9-70.5-108.1000107.5R6 A7 K8 C9 F45 V47 E60 Y64R6-F62 HydrophobicContact CB-CD2 4.5Å; R6-F62 HydrophobicContact CB-CE2 3.99Å; R6-F62 HydrophobicContact CG-CE2 3.93Å; A7-F62 PolarHBondContact O-N 3.17Å; K8-F62 HydrophobicContact CG-CB 4.21Å; C9-F62 PolarHBondContact N-O 3.47Å; F45-F62 HydrophobicContact CE2-CB 3.89Å; F45-F62 AromaticContact CE2-CD1 3.59Å; F45-F62 HydrophobicContact CE2-CD1 3.59Å; F45-F62 HydrophobicContact CE2-CG 4.17Å; F45-F62 AromaticContact CZ-CD1 3.46Å; F45-F62 HydrophobicContact CZ-CD1 3.46Å; F45-F62 VanDerWaalsContact CZ-CD1 3.46Å; F45-F62 HydrophobicContact CZ-CE1 4.03Å; F45-F62 HydrophobicContact CZ-CG 4.35Å; V47-F62 HydrophobicContact CG2-CD1 4.16Å; V47-F62 HydrophobicContact CG2-CE1 4.2Å; E60-F62 HydrophobicContact CB-CE2 4.21Å; E60-F62 HydrophobicContact CG-CD2 4.37Å; E60-F62 HydrophobicContact CG-CE2 3.67Å; E60-F62 HydrophobicContact CG-CZ 4.21Å; E60-F62 WeakPolarHBondContact O-CD2 3.3Å; E60-F62 WeakPolarHBondContact OE2-CE2 3.39Å; E60-F62 WeakPolarHBondContact OE2-CZ 3.43Å; F62-Y64 HydrophobicContact CB-CE2 3.85Å; F62-Y64 WeakPolarHBondContact O-CD2 3.47Å
63L96.2Very high87.9Confident1 Ų144.6 Ų44.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-86.1117.7-177.1-58.2169.4000109.9C9 I11 V23 F26 F45 V46 L61 F165C9-L63 HydrophobicContact CB-CD2 3.98Å; C9-L63 WeakPolarHBondContact O-CA 3.29Å; I11-L63 HydrophobicContact CD1-CD2 4.44Å; V23-L63 HydrophobicContact CG1-CD1 4.12Å; F26-L63 HydrophobicContact CD1-CD1 3.91Å; F26-L63 HydrophobicContact CE1-CD1 4.04Å; F45-L63 WeakPolarHBondContact CA-O 3.48Å; V46-L63 PolarHBondContact N-O 3.3Å; V46-L63 WeakPolarHBondContact O-CB 3.34Å; V46-L63 PolarHBondContact O-N 2.74Å; L61-L63 HydrophobicContact CB-CD2 4.33Å; L61-L63 HydrophobicContact CB-CG 4.45Å; L63-F165 HydrophobicContact CD2-CD1 4.3Å; L63-F165 HydrophobicContact CD2-CE1 3.89Å
64Y93.9Very high87.5Confident48 Ų4846.1 Ų46.119%0.18826%0.258CS..EExtended strand (participates in β ladder)trans-107.8103174.7-65.6-88.5000109.5K8 C9 Y10 I11 V43 F45 F62 I66K8-Y64 HydrophobicContact CB-CD2 4.45Å; K8-Y64 HydrophobicContact CB-CE2 3.97Å; K8-Y64 HydrophobicContact CD-CE2 4.08Å; K8-Y64 HydrophobicContact CG-CE2 3.93Å; C9-Y64 PolarHBondContact O-N 3.36Å; Y10-Y64 HydrophobicContact CD1-CD2 4.18Å; Y10-Y64 AromaticContact CD1-CG 3.9Å; Y10-Y64 HydrophobicContact CD1-CG 3.9Å; Y10-Y64 HydrophobicContact CE1-CD1 4.05Å; Y10-Y64 AromaticContact CE1-CD2 3.72Å; Y10-Y64 HydrophobicContact CE1-CD2 3.72Å; Y10-Y64 AromaticContact CE1-CG 3.44Å; Y10-Y64 HydrophobicContact CE1-CG 3.44Å; Y10-Y64 VanDerWaalsContact CE1-CG 3.44Å; Y10-Y64 HydrophobicContact CE2-CD2 4.26Å; Y10-Y64 AromaticContact CZ-CD2 3.8Å; Y10-Y64 AromaticContact CZ-CG 3.98Å; I11-Y64 PolarHBondContact N-O 3.36Å; V43-Y64 HydrophobicContact CG1-CD1 4.18Å; F45-Y64 HydrophobicContact CD2-CD1 4.02Å; F45-Y64 AromaticContact CD2-CE1 3.71Å; F45-Y64 HydrophobicContact CD2-CE1 3.71Å; F45-Y64 HydrophobicContact CD2-CE2 4.44Å; F45-Y64 AromaticContact CD2-CZ 3.94Å; F45-Y64 HydrophobicContact CE2-CE1 4.16Å; F45-Y64 HydrophobicContact CE2-CE2 4.33Å; F45-Y64 AromaticContact CE2-CZ 3.92Å; F62-Y64 HydrophobicContact CB-CE2 3.85Å; F62-Y64 WeakPolarHBondContact O-CD2 3.47Å; Y64-I66 PolarHBondContact O-N 3.41Å
65N92.3Very high86.9Confident2 Ų242.3 Ų42.31%0.01122%0.217CC..EExtended strand (participates in β ladder)trans-83.5111.3175.2176.835.7000109.6K19 T20 V23 V43 E44K19-N65 WeakPolarHBondContact CB-OD1 3.41Å; T20-N65 PolarHBondContact OG1-ND2 2.83Å; V23-N65 HydrophobicContact CG2-CB 4.47Å; V43-N65 WeakPolarHBondContact CA-O 3.25Å; E44-N65 HydrophobicContact CB-CB 4.11Å; E44-N65 PolarHBondContact N-O 3.4Å; E44-N65 VanDerWaalsContact N-O 3.12Å; E44-N65 PolarHBondContact O-N 3.39Å; E44-N65 PolarHBondContact OE2-ND2 2.98Å
66I90.5Very high86.6Confident5 Ų540.8 Ų40.83%0.02621%0.207CC..  trans-90.2127.9-175.7-56.8-53.7000109.6Y10 I11 L12 K19 V43 Y64 G68 V71 L75Y10-I66 HydrophobicContact CD1-CD1 3.93Å; Y10-I66 HydrophobicContact CD1-CG1 4.13Å; Y10-I66 HydrophobicContact CE1-CD1 4.31Å; I11-I66 PolarHBondContact O-N 3.19Å; I11-I66 VanDerWaalsContact O-N 3.14Å; L12-I66 HydrophobicContact CD2-CB 3.99Å; L12-I66 HydrophobicContact CD2-CG1 3.63Å; L12-I66 HydrophobicContact CD2-CG2 4.48Å; K19-I66 WeakPolarHBondContact CE-O 3.49Å; V43-I66 HydrophobicContact CG1-CD1 3.95Å; V43-I66 HydrophobicContact CG2-CD1 3.8Å; Y64-I66 PolarHBondContact O-N 3.41Å; I66-G68 WeakPolarHBondContact CG2-O 3.17Å; I66-G68 PolarHBondContact O-N 2.95Å; I66-G68 VanDerWaalsContact O-N 3.08Å; I66-V71 HydrophobicContact CG2-CB 3.79Å; I66-V71 HydrophobicContact CG2-CG1 3.88Å; I66-L75 HydrophobicContact CD1-CD1 4.21Å
67P83.3Confident86.2Confident15 Ų1539.3 Ų39.310%0.09720%0.199CC..  trans-69.8-8.3-170.225.7-34.8000115.5Q15 S40 V71Q15-P67 WeakPolarHBondContact CG-O 3.22Å; S40-P67 WeakPolarHBondContact O-CB 3.38Å; P67-V71 HydrophobicContact CG-CB 4.29Å; P67-V71 HydrophobicContact CG-CG2 3.76Å
68G74.7Confident85.8Confident7 Ų744.5 Ų44.57%0.07222%0.222CC..SBendtrans163.8-173.4176.500000111.9I66 E70 V71I66-G68 WeakPolarHBondContact CG2-O 3.17Å; I66-G68 PolarHBondContact O-N 2.95Å; I66-G68 VanDerWaalsContact O-N 3.08Å; G68-E70 VanDerWaalsContact C-N 3.34Å; G68-E70 PolarHBondContact O-N 3.32Å; G68-V71 PolarHBondContact O-N 3.21Å
69N74.1Confident85.2Confident60 Ų6049.9 Ų49.932%0.32124%0.242SC..Hα-helixtrans-71.9-24.1-173.2-57.8-28.3000114V71 L72 S100N69-V71 VanDerWaalsContact C-N 3.33Å; N69-V71 PolarHBondContact O-N 2.95Å; N69-L72 VanDerWaalsContact O-CB 3.29Å; N69-L72 WeakPolarHBondContact O-CB 3.31Å; N69-L72 PolarHBondContact O-N 2.99Å; N69-S100 PolarHBondContact ND2-OG 3.1Å
70E73.7Confident84.6Confident164 Ų16450.7 Ų50.777%0.76625%0.246SC*.Hα-helixtrans-63.6-41.4178.7-64.2171.6-166.500111.2G68 L72G68-E70 VanDerWaalsContact C-N 3.34Å; G68-E70 PolarHBondContact O-N 3.32Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.99Å
71V75.3Confident84.1Confident50 Ų5055.1 Ų55.130%0.30327%0.271SS..Hα-helixtrans-75.5-19177.2-176.90000111.9V43 I66 P67 G68 N69 D74 L75V43-V71 HydrophobicContact CG2-CG1 3.98Å; I66-V71 HydrophobicContact CG2-CB 3.79Å; I66-V71 HydrophobicContact CG2-CG1 3.88Å; P67-V71 HydrophobicContact CG-CB 4.29Å; P67-V71 HydrophobicContact CG-CG2 3.76Å; G68-V71 PolarHBondContact O-N 3.21Å; N69-V71 VanDerWaalsContact C-N 3.33Å; N69-V71 PolarHBondContact O-N 2.95Å; V71-D74 PolarHBondContact O-N 3.42Å; V71-L75 PolarHBondContact O-N 3.08Å; V71-L75 VanDerWaalsContact O-N 3.15Å
72L76.5Confident83.7Confident3 Ų359.5 Ų59.52%0.01629%0.293CS..Hα-helixtrans-65.6-37.7175.9171.663.6000111.9L12 N69 E70 D74 L75 M76 T104L12-L72 HydrophobicContact CD1-CD1 3.65Å; L12-L72 HydrophobicContact CD2-CD1 3.88Å; L12-L72 HydrophobicContact CG-CD1 4.35Å; N69-L72 VanDerWaalsContact O-CB 3.29Å; N69-L72 WeakPolarHBondContact O-CB 3.31Å; N69-L72 PolarHBondContact O-N 2.99Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.99Å; L72-D74 VanDerWaalsContact C-N 3.33Å; L72-D74 PolarHBondContact O-N 3.36Å; L72-L75 HydrophobicContact CD1-CD2 3.81Å; L72-L75 WeakPolarHBondContact O-CB 3.41Å; L72-L75 PolarHBondContact O-N 3.07Å; L72-M76 HydrophobicContact CD1-CG 3.88Å; L72-M76 HydrophobicContact CD1-SD 4.07Å; L72-M76 HydrophobicContact CD2-SD 4.31Å; L72-M76 HydrophobicContact CG-CG 4.19Å; L72-M76 HydrophobicContact CG-SD 3.85Å; L72-M76 WeakPolarHBondContact O-CG 3.15Å; L72-M76 PolarHBondContact O-N 3.34Å; L72-T104 HydrophobicContact CD2-CG2 3.53Å
73Q79.2Confident83.5Confident116 Ų11657.8 Ų57.854%0.54229%0.286SS..Hα-helixtrans-63.7-42.2179.4-69.7-161.8-6.200111.7L75 M76 N77Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.43Å; Q73-M76 PolarHBondContact O-N 3.45Å; Q73-N77 WeakPolarHBondContact O-CB 3.45Å; Q73-N77 VanDerWaalsContact O-CG 3.24Å; Q73-N77 PolarHBondContact O-N 3.3Å; Q73-N77 PolarHBondContact O-ND2 3.41Å
74D81.9Confident83.5Confident96 Ų9659.9 Ų59.951%0.51330%0.297SS..Hα-helixtrans-61.4-40.5174.9-75-17.6000111.8V71 L72 N77 H78V71-D74 PolarHBondContact O-N 3.42Å; L72-D74 VanDerWaalsContact C-N 3.33Å; L72-D74 PolarHBondContact O-N 3.36Å; D74-N77 PolarHBondContact O-N 3.18Å; D74-H78 PolarHBondContact O-N 2.93Å; D74-H78 PolarHBondContact O-ND1 2.85Å
75L79.5Confident83.6Confident7 Ų757.6 Ų57.64%0.03729%0.288CS..Hα-helixtrans-59.1-51173177.7120.9000111.9Y10 I66 V71 L72 Q73 N77 H78 Y79 I80Y10-L75 HydrophobicContact CD1-CD1 3.1Å; Y10-L75 HydrophobicContact CD1-CG 4.44Å; Y10-L75 HydrophobicContact CD2-CD1 4.24Å; Y10-L75 HydrophobicContact CE1-CD1 3Å; Y10-L75 HydrophobicContact CE1-CG 4.4Å; Y10-L75 HydrophobicContact CE2-CD1 4.15Å; Y10-L75 HydrophobicContact CG-CD1 3.75Å; I66-L75 HydrophobicContact CD1-CD1 4.21Å; V71-L75 PolarHBondContact O-N 3.08Å; V71-L75 VanDerWaalsContact O-N 3.15Å; L72-L75 HydrophobicContact CD1-CD2 3.81Å; L72-L75 WeakPolarHBondContact O-CB 3.41Å; L72-L75 PolarHBondContact O-N 3.07Å; Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.43Å; L75-N77 PolarHBondContact O-N 3.25Å; L75-H78 PolarHBondContact O-N 3.49Å; L75-Y79 CarbonylContact O-C 3.59Å; L75-Y79 WeakPolarHBondContact O-CA 3.28Å; L75-Y79 PolarHBondContact O-N 3.27Å; L75-I80 PolarHBondContact O-N 3.4Å
76M82.6Confident83.8Confident20 Ų2057.5 Ų57.510%0.09929%0.288CS..Hα-helixtrans-61.6-33.6-178.5-73175.159.100112.4L72 Q73 I80 E107 S111L72-M76 HydrophobicContact CD1-CG 3.88Å; L72-M76 HydrophobicContact CD1-SD 4.07Å; L72-M76 HydrophobicContact CD2-SD 4.31Å; L72-M76 HydrophobicContact CG-CG 4.19Å; L72-M76 HydrophobicContact CG-SD 3.85Å; L72-M76 WeakPolarHBondContact O-CG 3.15Å; L72-M76 PolarHBondContact O-N 3.34Å; Q73-M76 PolarHBondContact O-N 3.45Å; M76-I80 WeakPolarHBondContact O-CB 3.38Å; M76-I80 WeakPolarHBondContact O-CG2 3.38Å; M76-E107 VanDerWaalsContact CE-C 3.5Å; M76-E107 HydrophobicContact CE-CB 3.92Å; M76-E107 VanDerWaalsContact CE-O 3.27Å; M76-E107 WeakPolarHBondContact CE-O 3.22Å; M76-E107 HydrophobicContact SD-CB 4.26Å; M76-S111 WeakPolarHBondContact CE-OG 3.35Å
77N82.4Confident84.1Confident115 Ų11557.3 Ų57.362%0.61529%0.287SS*.Hα-helixtrans-79.9-31.8-177.6-69.8-25.9000113.6Q73 D74 L75Q73-N77 WeakPolarHBondContact O-CB 3.45Å; Q73-N77 VanDerWaalsContact O-CG 3.24Å; Q73-N77 PolarHBondContact O-N 3.3Å; Q73-N77 PolarHBondContact O-ND2 3.41Å; D74-N77 PolarHBondContact O-N 3.18Å; L75-N77 PolarHBondContact O-N 3.25Å
78H83.5Confident84.7Confident129 Ų12956.6 Ų56.660%0.59728%0.282SS*.Hα-helixtrans-119.7-22.1-168-57.797000114.9D74 L75D74-H78 PolarHBondContact O-N 2.93Å; D74-H78 PolarHBondContact O-ND1 2.85Å; L75-H78 PolarHBondContact O-N 3.49Å
79Y83.7Confident85.8Confident122 Ų12256.3 Ų56.348%0.47828%0.279SS..THydrogen-bonded Turntrans-130.55.5-168.2-56.4-67.6000113.6L75 D81 M82 T83L75-Y79 CarbonylContact O-C 3.59Å; L75-Y79 WeakPolarHBondContact O-CA 3.28Å; L75-Y79 PolarHBondContact O-N 3.27Å; Y79-D81 VanDerWaalsContact C-N 3.31Å; Y79-D81 PolarHBondContact O-N 2.94Å; Y79-M82 HydrophobicContact CD1-SD 4.1Å; Y79-M82 WeakPolarHBondContact O-CB 3.34Å; Y79-M82 PolarHBondContact O-N 3.36Å; Y79-T83 PolarHBondContact O-OG1 3.02Å
80I83.8Confident87Confident17 Ų1753.4 Ų53.49%0.08726%0.263CS..G310 helixtrans-58-43.4-177.3-166.765.7000112.1L75 M76 M82 T83 F108 L112L75-I80 PolarHBondContact O-N 3.4Å; M76-I80 WeakPolarHBondContact O-CB 3.38Å; M76-I80 WeakPolarHBondContact O-CG2 3.38Å; I80-M82 PolarHBondContact O-N 3.33Å; I80-M82 VanDerWaalsContact O-N 3.13Å; I80-T83 WeakPolarHBondContact O-CB 3.48Å; I80-T83 PolarHBondContact O-N 3.43Å; I80-T83 PolarHBondContact O-OG1 3.36Å; I80-F108 HydrophobicContact CD1-CD2 3.66Å; I80-F108 HydrophobicContact CD1-CE2 3.19Å; I80-F108 HydrophobicContact CD1-CZ 3.92Å; I80-L112 HydrophobicContact CD1-CD2 3.66Å; I80-L112 HydrophobicContact CG1-CD2 3.71Å
81D86.3Confident88.1Confident137 Ų13746 Ų4673%0.73323%0.229SC*.G310 helixtrans-66.2-17179.5-63.6-20.4000113.3Y79Y79-D81 VanDerWaalsContact C-N 3.31Å; Y79-D81 PolarHBondContact O-N 2.94Å
82M88.2Confident89.2Confident95 Ų9543.6 Ų43.647%0.46821%0.214SC..G310 helixtrans-90.9-5175.5-54.3-171102.800112.7K8 Y79 I80K8-M82 HydrophobicContact CD-CB 4.26Å; K8-M82 WeakPolarHBondContact CD-O 3.36Å; Y79-M82 HydrophobicContact CD1-SD 4.1Å; Y79-M82 WeakPolarHBondContact O-CB 3.34Å; Y79-M82 PolarHBondContact O-N 3.36Å; I80-M82 PolarHBondContact O-N 3.33Å; I80-M82 VanDerWaalsContact O-N 3.13Å
83T92.2Very high90.3Very high5 Ų544.7 Ų44.73%0.03122%0.221CC..  trans-77.3132-178-61.10000109.9Y10 Y79 I80 V86 F108 I117Y10-T83 HydrophobicContact CD2-CG2 3.79Å; Y10-T83 WeakPolarHBondContact CD2-OG1 3.46Å; Y10-T83 HydrophobicContact CE2-CG2 4.37Å; Y10-T83 WeakPolarHBondContact CE2-OG1 3.24Å; Y79-T83 PolarHBondContact O-OG1 3.02Å; I80-T83 WeakPolarHBondContact O-CB 3.48Å; I80-T83 PolarHBondContact O-N 3.43Å; I80-T83 PolarHBondContact O-OG1 3.36Å; T83-V86 HydrophobicContact CG2-CG2 3.54Å; T83-F108 HydrophobicContact CG2-CE2 4.27Å; T83-F108 HydrophobicContact CG2-CZ 3.92Å; T83-I117 HydrophobicContact CG2-CD1 4.31Å; T83-I117 HydrophobicContact CG2-CG2 4.35Å; T83-I117 WeakPolarHBondContact O-CD1 3.4Å
84N95.5Very high91.1Very high45 Ų4541.5 Ų41.524%0.24121%0.208CC..  trans-111.3-27.9174.8-56.2123000112.5A7 K8 I117 P118 Y172A7-N84 HydrophobicContact CB-CB 4.08Å; K8-N84 PolarHBondContact N-OD1 3.48Å; K8-N84 PolarHBondContact O-N 3.24Å; N84-I117 VanDerWaalsContact C-CG2 3.5Å; N84-I117 VanDerWaalsContact O-CG2 3.24Å; N84-I117 WeakPolarHBondContact O-CG2 3.32Å; N84-P118 WeakPolarHBondContact O-CD 3.3Å; N84-Y172 HydrophobicContact CB-CD2 4.22Å; N84-Y172 HydrophobicContact CB-CE2 3.72Å
85L97.1Very high91.8Very high0 Ų041 Ų410%020%0.203CC..EExtended strand (participates in β ladder)trans-146.6147-175.1-60.1172.4000109.7A7 K8 C9 Y10 L61 P118 L168 Y172A7-L85 HydrophobicContact CB-CD1 3.85Å; A7-L85 HydrophobicContact CB-CG 4.33Å; K8-L85 PolarHBondContact O-N 3.09Å; C9-L85 WeakPolarHBondContact CA-O 3.42Å; C9-L85 HydrophobicContact CB-CB 3.84Å; C9-L85 HydrophobicContact CB-CD1 4.19Å; Y10-L85 PolarHBondContact N-O 3.44Å; L61-L85 HydrophobicContact CD2-CD1 3.33Å; L85-P118 HydrophobicContact CD2-CB 3.67Å; L85-P118 HydrophobicContact CD2-CG 3.86Å; L85-L168 HydrophobicContact CB-CD1 4.44Å; L85-L168 HydrophobicContact CD1-CB 4.27Å; L85-L168 HydrophobicContact CD2-CB 3.9Å; L85-L168 HydrophobicContact CD2-CD2 4.13Å; L85-Y172 HydrophobicContact CD2-CD2 4.48Å; L85-Y172 HydrophobicContact CD2-CG 4.29Å
86V95.7Very high92.6Very high0 Ų048.2 Ų48.20%024%0.236CC..EExtended strand (participates in β ladder)trans-134.7136.3173.2175.90000112.2Y10 L12 T83 V88 F108 P118 V119 V120Y10-V86 WeakPolarHBondContact O-CA 3.34Å; L12-V86 HydrophobicContact CD1-CG1 3.7Å; L12-V86 HydrophobicContact CG-CG1 4.13Å; T83-V86 HydrophobicContact CG2-CG2 3.54Å; V86-V88 HydrophobicContact CG1-CG2 3.72Å; V86-F108 HydrophobicContact CB-CE1 4.22Å; V86-F108 HydrophobicContact CB-CZ 4.28Å; V86-F108 HydrophobicContact CG2-CD1 4.45Å; V86-F108 HydrophobicContact CG2-CE1 3.61Å; V86-F108 HydrophobicContact CG2-CE2 3.69Å; V86-F108 HydrophobicContact CG2-CZ 3.21Å; V86-P118 PolarHBondContact N-O 3.31Å; V86-V119 HydrophobicContact CB-CB 4.49Å; V86-V119 HydrophobicContact CB-CG1 4.11Å; V86-V119 HydrophobicContact CB-CG2 4.1Å; V86-V119 HydrophobicContact CG1-CG1 4.15Å; V86-V119 WeakPolarHBondContact O-CA 3.32Å; V86-V120 PolarHBondContact O-N 3.47Å
87V97.3Very high93.3Very high1 Ų147.2 Ų47.21%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-114.4120.3166-178.50000107.9Y10 I11 L12 V89 V120 V122 F165 L168Y10-V87 PolarHBondContact O-N 3.08Å; I11-V87 WeakPolarHBondContact CA-O 3.32Å; I11-V87 HydrophobicContact CD1-CB 3.72Å; I11-V87 HydrophobicContact CD1-CG2 3.74Å; I11-V87 HydrophobicContact CG2-CB 4.48Å; L12-V87 PolarHBondContact N-O 3.46Å; V87-V89 HydrophobicContact CG1-CG2 3.79Å; V87-V120 HydrophobicContact CB-CG2 4.23Å; V87-V120 HydrophobicContact CG1-CG2 4.19Å; V87-V120 HydrophobicContact CG2-CG2 3.84Å; V87-V122 HydrophobicContact CG1-CB 4.24Å; V87-V122 HydrophobicContact CG1-CG2 3.66Å; V87-F165 HydrophobicContact CG2-CE1 4.04Å; V87-L168 HydrophobicContact CG2-CD1 3.5Å; V87-L168 VanDerWaalsContact CG2-CD1 3.5Å
88V96.6Very high94Very high0 Ų042.3 Ų42.30%020%0.204CC..EExtended strand (participates in β ladder)trans-104.1122170.9-173.30000109.2L12 V86 A101 T104 L105 V120 V122L12-V88 HydrophobicContact CB-CG2 4.3Å; L12-V88 HydrophobicContact CD1-CG2 4.48Å; V86-V88 HydrophobicContact CG1-CG2 3.72Å; V88-A101 HydrophobicContact CG1-CB 3.76Å; V88-T104 HydrophobicContact CG1-CG2 4.04Å; V88-T104 HydrophobicContact CG2-CG2 4.24Å; V88-L105 HydrophobicContact CB-CD1 4.39Å; V88-L105 HydrophobicContact CB-CD2 4.02Å; V88-L105 HydrophobicContact CB-CG 4.01Å; V88-L105 HydrophobicContact CG1-CD1 4.49Å; V88-L105 HydrophobicContact CG1-CG 4.12Å; V88-L105 HydrophobicContact CG2-CD2 3.42Å; V88-L105 VanDerWaalsContact CG2-CD2 3.42Å; V88-L105 HydrophobicContact CG2-CG 3.76Å; V88-V120 PolarHBondContact N-O 2.69Å; V88-V122 PolarHBondContact O-N 3.28Å
89V97.7Very high94.6Very high0 Ų038.8 Ų38.80%019%0.194CC..EExtended strand (participates in β ladder)trans-110.8134.6-173-1730000110.7I11 L12 C17 K19 I22 V87 V122 N124I11-V89 HydrophobicContact CG2-CG2 3.97Å; L12-V89 PolarHBondContact O-N 2.85Å; C17-V89 HydrophobicContact CB-CG1 4.38Å; C17-V89 PolarHBondContact SG-O 3Å; K19-V89 HydrophobicContact CG-CB 4.07Å; K19-V89 HydrophobicContact CG-CG2 4.19Å; I22-V89 HydrophobicContact CD1-CB 4.48Å; I22-V89 HydrophobicContact CD1-CG1 3.64Å; I22-V89 HydrophobicContact CD1-CG2 3.94Å; V87-V89 HydrophobicContact CG1-CG2 3.79Å; V89-V122 WeakPolarHBondContact CA-O 3.47Å; V89-V122 HydrophobicContact CG2-CB 4.37Å; V89-N124 HydrophobicContact CG1-CB 3.89Å
90F98.1Very high95.1Very high0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-126.1163.7163.873-82.1000110.7V92 F98 A101 L121 V122 G123 N124 N134 A139 Y150F90-V92 HydrophobicContact CE2-CG1 3.98Å; F90-V92 HydrophobicContact CZ-CG1 4.42Å; F90-F98 HydrophobicContact CB-CB 4.44Å; F90-F98 AromaticContact CD1-CD2 3.98Å; F90-F98 HydrophobicContact CD1-CD2 3.98Å; F90-F98 HydrophobicContact CD2-CB 3.84Å; F90-F98 AromaticContact CD2-CD2 3.68Å; F90-F98 HydrophobicContact CD2-CD2 3.68Å; F90-F98 HydrophobicContact CD2-CG 4.21Å; F90-F98 AromaticContact CE1-CD2 3.91Å; F90-F98 HydrophobicContact CE1-CD2 3.91Å; F90-F98 HydrophobicContact CE1-CE2 4.19Å; F90-F98 HydrophobicContact CE2-CB 4.37Å; F90-F98 AromaticContact CE2-CD2 3.62Å; F90-F98 HydrophobicContact CE2-CD2 3.62Å; F90-F98 HydrophobicContact CE2-CE2 4.34Å; F90-F98 HydrophobicContact CE2-CG 4.34Å; F90-F98 HydrophobicContact CG-CB 4.27Å; F90-F98 AromaticContact CG-CD2 3.86Å; F90-F98 HydrophobicContact CG-CD2 3.86Å; F90-F98 AromaticContact CZ-CD2 3.74Å; F90-F98 HydrophobicContact CZ-CD2 3.74Å; F90-F98 HydrophobicContact CZ-CE2 4.06Å; F90-A101 HydrophobicContact CB-CB 3.97Å; F90-L121 HydrophobicContact CD1-CD1 3.67Å; F90-L121 HydrophobicContact CD1-CG 4.23Å; F90-L121 HydrophobicContact CE1-CD1 3.87Å; F90-L121 HydrophobicContact CE1-CD2 4.14Å; F90-L121 HydrophobicContact CE1-CG 3.91Å; F90-V122 VanDerWaalsContact CD1-O 3.31Å; F90-V122 WeakPolarHBondContact CD1-O 3.37Å; F90-V122 PolarHBondContact N-O 3.45Å; F90-G123 VanDerWaalsContact CE1-CA 3.49Å; F90-N124 WeakPolarHBondContact O-CB 3.14Å; F90-N124 PolarHBondContact O-N 2.93Å; F90-N134 HydrophobicContact CE2-CB 4.17Å; F90-A139 HydrophobicContact CE1-CB 4.27Å; F90-A139 HydrophobicContact CZ-CB 3.67Å; F90-Y150 AromaticContact CE1-CE2 3.72Å; F90-Y150 HydrophobicContact CE1-CE2 3.72Å; F90-Y150 AromaticContact CZ-CE2 3.87Å; F90-Y150 HydrophobicContact CZ-CE2 3.87Å
91D98Very high95.7Very high7 Ų733 Ų334%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-96.9123.4173.6172.2-3.4000108.9C17 T93 D94 S97 K125C17-D91 HydrophobicContact CB-CB 4.22Å; D91-T93 VanDerWaalsContact CG-OG1 3.22Å; D91-T93 PolarHBondContact O-N 2.99Å; D91-T93 WeakPolarHBondContact OD1-CA 3.48Å; D91-T93 WeakPolarHBondContact OD1-CB 3.43Å; D91-T93 PolarHBondContact OD1-N 3.07Å; D91-T93 PolarHBondContact OD1-OG1 2.93Å; D91-T93 PolarHBondContact OD2-OG1 2.99Å; D91-D94 HydrophobicContact CB-CB 4.06Å; D91-D94 PolarHBondContact O-N 3Å; D91-S97 PolarHBondContact N-OG 3.38Å; D91-S97 PolarHBondContact O-OG 3.3Å; D91-K125 HydrophobicContact CB-CD 4.37Å; D91-K125 VanDerWaalsContact OD2-CD 3.24Å; D91-K125 WeakPolarHBondContact OD2-CD 3.49Å; D91-K125 WeakPolarHBondContact OD2-CE 3.28Å; D91-K125 IonicContact OD2-NZ 3.17Å; D91-K125 PolarHBondContact OD2-NZ 2.87Å
92V98.5Very high96.1Very high0 Ų031.4 Ų31.40%016%0.16CC..THydrogen-bonded Turntrans-64.1-11.4-177.9-57.40000113.7F90 N124 I126 R132 I133 N134F90-V92 HydrophobicContact CE2-CG1 3.98Å; F90-V92 HydrophobicContact CZ-CG1 4.42Å; V92-N124 WeakPolarHBondContact CG1-O 3.36Å; V92-N124 WeakPolarHBondContact CG2-O 3.22Å; V92-N124 PolarHBondContact N-O 2.93Å; V92-I126 HydrophobicContact CG1-CG2 4.14Å; V92-I126 HydrophobicContact CG2-CG2 4.38Å; V92-R132 HydrophobicContact CB-CG 4.47Å; V92-R132 WeakPolarHBondContact O-CA 3.49Å; V92-I133 PolarHBondContact O-N 3.41Å; V92-N134 PolarHBondContact O-N 3.39Å; V92-N134 VanDerWaalsContact O-N 3.13Å
93T97.9Very high96.3Very high27 Ų2731.5 Ų31.517%0.16616%0.161CC..THydrogen-bonded Turntrans-98.80.917773.70000113.5D91 L128 K131 I133D91-T93 VanDerWaalsContact CG-OG1 3.22Å; D91-T93 PolarHBondContact O-N 2.99Å; D91-T93 WeakPolarHBondContact OD1-CA 3.48Å; D91-T93 WeakPolarHBondContact OD1-CB 3.43Å; D91-T93 PolarHBondContact OD1-N 3.07Å; D91-T93 PolarHBondContact OD1-OG1 2.93Å; D91-T93 PolarHBondContact OD2-OG1 2.99Å; T93-L128 HydrophobicContact CG2-CB 3.71Å; T93-L128 HydrophobicContact CG2-CD1 4.07Å; T93-K131 WeakPolarHBondContact CA-O 3.4Å; T93-K131 VanDerWaalsContact CB-O 3.25Å; T93-K131 WeakPolarHBondContact CB-O 3.32Å; T93-K131 HydrophobicContact CG2-CB 3.78Å; T93-K131 WeakPolarHBondContact CG2-O 3.48Å; T93-I133 WeakPolarHBondContact O-CD1 3.46Å
94D97.3Very high96.3Very high48 Ų4831.3 Ų31.326%0.25716%0.16SC..  trans-134.1103.2-175.7177.8-1.4000111.2D91 E96 S97 F98 N134D91-D94 HydrophobicContact CB-CB 4.06Å; D91-D94 PolarHBondContact O-N 3Å; D94-E96 VanDerWaalsContact C-N 3.3Å; D94-E96 PolarHBondContact O-N 3.1Å; D94-E96 WeakPolarHBondContact OD1-CB 3.49Å; D94-E96 PolarHBondContact OD1-N 2.87Å; D94-S97 WeakPolarHBondContact O-CB 3.48Å; D94-S97 PolarHBondContact O-N 3.37Å; D94-S97 VanDerWaalsContact O-N 3.17Å; D94-S97 PolarHBondContact O-OG 2.89Å; D94-S97 PolarHBondContact OD1-N 3.06Å; D94-S97 VanDerWaalsContact OD1-N 3.16Å; D94-F98 PolarHBondContact O-N 3.27Å; D94-N134 PolarHBondContact O-OD1 3.34Å
95H96.5Very high96.2Very high87 Ų8729.3 Ų29.340%0.40315%0.149SC..Hα-helixtrans-65.4-29.5179.9-174.5-77.2000113.4S97 F98 S99 I133 N134H95-S97 VanDerWaalsContact C-N 3.34Å; H95-F98 PolarHBondContact O-N 2.84Å; H95-S99 PolarHBondContact CE1-OG 2.63Å; H95-S99 PolarHBondContact ND1-OG 3.17Å; H95-S99 WeakPolarHBondContact O-CB 3.44Å; H95-S99 PolarHBondContact O-N 2.82Å; H95-S99 PolarHBondContact O-OG 3.18Å; H95-I133 HydrophobicContact CB-CG2 4.33Å; H95-N134 WeakPolarHBondContact CA-OD1 3.47Å; H95-N134 PolarHBondContact CD2-ND2 2.95Å; H95-N134 PolarHBondContact N-OD1 2.87Å
96E96.5Very high95.8Very high157 Ų15731.5 Ų31.573%0.73416%0.163SC*.Hα-helixtrans-68.4-38.6175.2-66.9-172.9172.900110.4D94 F98 S99 S100D94-E96 VanDerWaalsContact C-N 3.3Å; D94-E96 PolarHBondContact O-N 3.1Å; D94-E96 WeakPolarHBondContact OD1-CB 3.49Å; D94-E96 PolarHBondContact OD1-N 2.87Å; E96-F98 VanDerWaalsContact C-N 3.32Å; E96-F98 PolarHBondContact O-N 3.45Å; E96-S99 PolarHBondContact O-N 2.79Å; E96-S100 WeakPolarHBondContact O-CB 2.96Å; E96-S100 PolarHBondContact O-N 3.08Å
97S96.5Very high95.4Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-62.2-38.9174.184.40000112.6D91 D94 H95 S100 A101D91-S97 PolarHBondContact N-OG 3.38Å; D91-S97 PolarHBondContact O-OG 3.3Å; D94-S97 WeakPolarHBondContact O-CB 3.48Å; D94-S97 PolarHBondContact O-N 3.37Å; D94-S97 VanDerWaalsContact O-N 3.17Å; D94-S97 PolarHBondContact O-OG 2.89Å; D94-S97 PolarHBondContact OD1-N 3.06Å; D94-S97 VanDerWaalsContact OD1-N 3.16Å; H95-S97 VanDerWaalsContact C-N 3.34Å; S97-S100 PolarHBondContact O-N 3.46Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 2.89Å
98F97.5Very high95Very high11 Ų1134.4 Ų34.45%0.04818%0.176CC..Hα-helixtrans-66.6-45.8175.4-179.7-111.5000111.8F90 D94 H95 E96 S100 A101 K102 N134 E138 A139 L142F90-F98 HydrophobicContact CB-CB 4.44Å; F90-F98 AromaticContact CD1-CD2 3.98Å; F90-F98 HydrophobicContact CD1-CD2 3.98Å; F90-F98 HydrophobicContact CD2-CB 3.84Å; F90-F98 AromaticContact CD2-CD2 3.68Å; F90-F98 HydrophobicContact CD2-CD2 3.68Å; F90-F98 HydrophobicContact CD2-CG 4.21Å; F90-F98 AromaticContact CE1-CD2 3.91Å; F90-F98 HydrophobicContact CE1-CD2 3.91Å; F90-F98 HydrophobicContact CE1-CE2 4.19Å; F90-F98 HydrophobicContact CE2-CB 4.37Å; F90-F98 AromaticContact CE2-CD2 3.62Å; F90-F98 HydrophobicContact CE2-CD2 3.62Å; F90-F98 HydrophobicContact CE2-CE2 4.34Å; F90-F98 HydrophobicContact CE2-CG 4.34Å; F90-F98 HydrophobicContact CG-CB 4.27Å; F90-F98 AromaticContact CG-CD2 3.86Å; F90-F98 HydrophobicContact CG-CD2 3.86Å; F90-F98 AromaticContact CZ-CD2 3.74Å; F90-F98 HydrophobicContact CZ-CD2 3.74Å; F90-F98 HydrophobicContact CZ-CE2 4.06Å; D94-F98 PolarHBondContact O-N 3.27Å; H95-F98 PolarHBondContact O-N 2.84Å; E96-F98 VanDerWaalsContact C-N 3.32Å; E96-F98 PolarHBondContact O-N 3.45Å; F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 2.81Å; F98-A101 PolarHBondContact O-N 2.85Å; F98-A101 VanDerWaalsContact O-N 3.13Å; F98-K102 PolarHBondContact O-N 3.07Å; F98-N134 WeakPolarHBondContact CD1-ND2 3.21Å; F98-E138 HydrophobicContact CE1-CG 3.68Å; F98-E138 HydrophobicContact CZ-CG 3.92Å; F98-A139 HydrophobicContact CE2-CB 3.99Å; F98-L142 HydrophobicContact CD2-CD2 4.46Å; F98-L142 HydrophobicContact CE1-CD2 4.48Å; F98-L142 HydrophobicContact CE2-CB 4.49Å; F98-L142 HydrophobicContact CE2-CD2 3.6Å; F98-L142 HydrophobicContact CZ-CB 4.03Å; F98-L142 HydrophobicContact CZ-CD2 3.61Å; F98-L142 HydrophobicContact CZ-CG 4.46Å
99S96.2Very high94.4Very high56 Ų5639.2 Ų39.239%0.39220%0.195SC..Hα-helixtrans-59.5-40.9176.5-59.10000111.4H95 E96 K102 L103H95-S99 PolarHBondContact CE1-OG 2.63Å; H95-S99 PolarHBondContact ND1-OG 3.17Å; H95-S99 WeakPolarHBondContact O-CB 3.44Å; H95-S99 PolarHBondContact O-N 2.82Å; H95-S99 PolarHBondContact O-OG 3.18Å; E96-S99 PolarHBondContact O-N 2.79Å; S99-K102 PolarHBondContact O-N 3.21Å; S99-L103 PolarHBondContact O-N 3.41Å
100S94.2Very high93.8Very high17 Ų1746.4 Ų46.412%0.11923%0.226CC..Hα-helixtrans-65.9-42.3174.4-177.80000112.5S14 N69 E96 S97 F98 K102 L103 T104S14-S100 WeakPolarHBondContact OG-CB 3.27Å; S14-S100 PolarHBondContact OG-OG 3.5Å; N69-S100 PolarHBondContact ND2-OG 3.1Å; E96-S100 WeakPolarHBondContact O-CB 2.96Å; E96-S100 PolarHBondContact O-N 3.08Å; S97-S100 PolarHBondContact O-N 3.46Å; F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 2.81Å; S100-K102 VanDerWaalsContact C-N 3.28Å; S100-K102 PolarHBondContact O-N 3.21Å; S100-L103 PolarHBondContact O-N 3.04Å; S100-T104 WeakPolarHBondContact O-CB 3.39Å; S100-T104 PolarHBondContact O-N 3.3Å; S100-T104 PolarHBondContact O-OG1 2.89Å; S100-T104 VanDerWaalsContact O-OG1 3.12Å
101A95.4Very high93.3Very high0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-60.6-39.8178.400000111.7V88 F90 S97 F98 T104 L105 L121V88-A101 HydrophobicContact CG1-CB 3.76Å; F90-A101 HydrophobicContact CB-CB 3.97Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 2.89Å; F98-A101 PolarHBondContact O-N 2.85Å; F98-A101 VanDerWaalsContact O-N 3.13Å; A101-T104 PolarHBondContact O-N 3.47Å; A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 WeakPolarHBondContact O-CG 3.42Å; A101-L105 PolarHBondContact O-N 3.33Å; A101-L121 HydrophobicContact CB-CD1 4.31Å
102K95.1Very high92.6Very high104 Ų10448.4 Ų48.445%0.45224%0.24SC..Hα-helixtrans-58.7-46.9172.7177.7170.3-173.1172.60112.3F98 S99 S100 T106 L142F98-K102 PolarHBondContact O-N 3.07Å; S99-K102 PolarHBondContact O-N 3.21Å; S100-K102 VanDerWaalsContact C-N 3.28Å; S100-K102 PolarHBondContact O-N 3.21Å; K102-T106 WeakPolarHBondContact O-CB 3.45Å; K102-T106 PolarHBondContact O-N 3.24Å; K102-T106 VanDerWaalsContact O-N 3.08Å; K102-T106 PolarHBondContact O-OG1 2.94Å; K102-L142 HydrophobicContact CB-CD1 4.15Å; K102-L142 HydrophobicContact CB-CD2 3.84Å; K102-L142 HydrophobicContact CD-CD1 3.84Å; K102-L142 HydrophobicContact CG-CD1 3.68Å; K102-L142 HydrophobicContact CG-CD2 4.3Å
103L93.2Very high91.7Very high96 Ų9654.5 Ų54.550%0.50327%0.272SS..Hα-helixtrans-62.3-50.6177.3-177.368.4000110.9S99 S100 L105 T106 E107S99-L103 PolarHBondContact O-N 3.41Å; S100-L103 PolarHBondContact O-N 3.04Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 2.93Å; L103-T106 WeakPolarHBondContact O-CB 3.41Å; L103-T106 PolarHBondContact O-N 3.03Å; L103-T106 VanDerWaalsContact O-N 3.1Å; L103-E107 HydrophobicContact CD1-CG 4.29Å; L103-E107 HydrophobicContact CG-CG 4.38Å; L103-E107 WeakPolarHBondContact O-CG 3.48Å; L103-E107 PolarHBondContact O-N 3.25Å
104T91.8Very high90.8Very high2 Ų264.5 Ų64.51%0.01231%0.309CS..Hα-helixtrans-52-48.3176.7-67.90000112.1L12 L72 V88 S100 A101 T106 E107 F108L12-T104 HydrophobicContact CB-CG2 4.03Å; L12-T104 HydrophobicContact CD1-CG2 4.04Å; L72-T104 HydrophobicContact CD2-CG2 3.53Å; V88-T104 HydrophobicContact CG1-CG2 4.04Å; V88-T104 HydrophobicContact CG2-CG2 4.24Å; S100-T104 WeakPolarHBondContact O-CB 3.39Å; S100-T104 PolarHBondContact O-N 3.3Å; S100-T104 PolarHBondContact O-OG1 2.89Å; S100-T104 VanDerWaalsContact O-OG1 3.12Å; A101-T104 PolarHBondContact O-N 3.47Å; T104-T106 PolarHBondContact O-N 3.34Å; T104-E107 PolarHBondContact O-N 2.92Å; T104-F108 WeakPolarHBondContact O-CB 3.35Å; T104-F108 PolarHBondContact O-N 3.13Å
105L92.4Very high90.2Very high2 Ų266.5 Ų66.51%0.0132%0.318CS..Hα-helixtrans-63.1-42.8178.8-80.6166.8000112.3V88 A101 L103 R109 V119 L121 L146 I148V88-L105 HydrophobicContact CB-CD1 4.39Å; V88-L105 HydrophobicContact CB-CD2 4.02Å; V88-L105 HydrophobicContact CB-CG 4.01Å; V88-L105 HydrophobicContact CG1-CD1 4.49Å; V88-L105 HydrophobicContact CG1-CG 4.12Å; V88-L105 HydrophobicContact CG2-CD2 3.42Å; V88-L105 VanDerWaalsContact CG2-CD2 3.42Å; V88-L105 HydrophobicContact CG2-CG 3.76Å; A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 WeakPolarHBondContact O-CG 3.42Å; A101-L105 PolarHBondContact O-N 3.33Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 2.93Å; L105-R109 VanDerWaalsContact O-CB 3.28Å; L105-R109 WeakPolarHBondContact O-CB 3.46Å; L105-R109 WeakPolarHBondContact O-CG 3.09Å; L105-R109 PolarHBondContact O-N 2.94Å; L105-V119 HydrophobicContact CD2-CG1 3.59Å; L105-L121 HydrophobicContact CD1-CD1 4.01Å; L105-L146 HydrophobicContact CB-CD1 3.7Å; L105-L146 HydrophobicContact CD1-CD1 3.73Å; L105-L146 HydrophobicContact CG-CD1 4.27Å; L105-I148 HydrophobicContact CD1-CD1 3.69Å; L105-I148 HydrophobicContact CD2-CD1 3.72Å; L105-I148 HydrophobicContact CG-CD1 4.36Å
106T89.6Confident89.8Confident46 Ų4670 Ų7028%0.28233%0.328SS..Hα-helixtrans-64.9-43.6-179.9-55.90000111.2K102 L103 T104 K110K102-T106 WeakPolarHBondContact O-CB 3.45Å; K102-T106 PolarHBondContact O-N 3.24Å; K102-T106 VanDerWaalsContact O-N 3.08Å; K102-T106 PolarHBondContact O-OG1 2.94Å; L103-T106 WeakPolarHBondContact O-CB 3.41Å; L103-T106 PolarHBondContact O-N 3.03Å; L103-T106 VanDerWaalsContact O-N 3.1Å; T104-T106 PolarHBondContact O-N 3.34Å; T106-K110 VanDerWaalsContact O-CG 3.31Å; T106-K110 WeakPolarHBondContact O-CG 3.31Å; T106-K110 PolarHBondContact O-N 3.01Å
107E87.3Confident89.7Confident62 Ų6263.6 Ų63.629%0.2930%0.298SS..Hα-helixtrans-66.7-47.9177.4-72.9-176.3165.900111.4M76 L103 T104 R109 K110 S111M76-E107 VanDerWaalsContact CE-C 3.5Å; M76-E107 HydrophobicContact CE-CB 3.92Å; M76-E107 VanDerWaalsContact CE-O 3.27Å; M76-E107 WeakPolarHBondContact CE-O 3.22Å; M76-E107 HydrophobicContact SD-CB 4.26Å; L103-E107 HydrophobicContact CD1-CG 4.29Å; L103-E107 HydrophobicContact CG-CG 4.38Å; L103-E107 WeakPolarHBondContact O-CG 3.48Å; L103-E107 PolarHBondContact O-N 3.25Å; T104-E107 PolarHBondContact O-N 2.92Å; E107-R109 PolarHBondContact O-N 2.81Å; E107-K110 WeakPolarHBondContact O-CB 3.18Å; E107-K110 PolarHBondContact O-N 2.87Å; E107-S111 PolarHBondContact O-N 2.86Å
108F87.8Confident89.7Confident0 Ų063.7 Ų63.70%030%0.299CS..Hα-helixtrans-58-48177.5-178.8-98.8000111.9L12 I80 T83 V86 T104 K110 S111 L112 V119L12-F108 HydrophobicContact CD1-CD2 4.46Å; I80-F108 HydrophobicContact CD1-CD2 3.66Å; I80-F108 HydrophobicContact CD1-CE2 3.19Å; I80-F108 HydrophobicContact CD1-CZ 3.92Å; T83-F108 HydrophobicContact CG2-CE2 4.27Å; T83-F108 HydrophobicContact CG2-CZ 3.92Å; V86-F108 HydrophobicContact CB-CE1 4.22Å; V86-F108 HydrophobicContact CB-CZ 4.28Å; V86-F108 HydrophobicContact CG2-CD1 4.45Å; V86-F108 HydrophobicContact CG2-CE1 3.61Å; V86-F108 HydrophobicContact CG2-CE2 3.69Å; V86-F108 HydrophobicContact CG2-CZ 3.21Å; T104-F108 WeakPolarHBondContact O-CB 3.35Å; T104-F108 PolarHBondContact O-N 3.13Å; F108-K110 VanDerWaalsContact C-N 3.28Å; F108-K110 PolarHBondContact O-N 2.84Å; F108-S111 PolarHBondContact O-N 3.36Å; F108-L112 HydrophobicContact CD1-CD1 4.13Å; F108-L112 HydrophobicContact CD1-CG 4.34Å; F108-L112 HydrophobicContact CE1-CD1 3.52Å; F108-L112 HydrophobicContact CE1-CD2 4.08Å; F108-L112 HydrophobicContact CE1-CG 3.94Å; F108-L112 HydrophobicContact CE2-CD2 4.34Å; F108-L112 HydrophobicContact CZ-CD1 4.06Å; F108-L112 HydrophobicContact CZ-CD2 3.78Å; F108-L112 HydrophobicContact CZ-CG 4.16Å; F108-L112 PolarHBondContact O-N 2.89Å; F108-V119 HydrophobicContact CD1-CG2 4.4Å; F108-V119 HydrophobicContact CE1-CG2 3.88Å
109R85.2Confident89.7Confident102 Ų10263.4 Ų63.439%0.38530%0.298SS..Hα-helixtrans-55.9-40.3176.5-88.6-90177113.8-2.7112.8L105 E107 S111 L112 L146 S147L105-R109 VanDerWaalsContact O-CB 3.28Å; L105-R109 WeakPolarHBondContact O-CB 3.46Å; L105-R109 WeakPolarHBondContact O-CG 3.09Å; L105-R109 PolarHBondContact O-N 2.94Å; E107-R109 PolarHBondContact O-N 2.81Å; R109-S111 VanDerWaalsContact C-N 3.32Å; R109-S111 PolarHBondContact O-N 2.86Å; R109-L112 PolarHBondContact O-N 2.83Å; R109-L146 PolarHBondContact NH1-O 2.95Å; R109-L146 PolarHBondContact NH2-O 3.01Å; R109-S147 PolarHBondContact NH2-O 2.91Å
110K85.9Confident89.8Confident151 Ų15160.7 Ų60.766%0.65728%0.279SS*.Hα-helixtrans-64.7-36.7177.7-73.5170.6-178176.30111.9T106 E107 F108 L112T106-K110 VanDerWaalsContact O-CG 3.31Å; T106-K110 WeakPolarHBondContact O-CG 3.31Å; T106-K110 PolarHBondContact O-N 3.01Å; E107-K110 WeakPolarHBondContact O-CB 3.18Å; E107-K110 PolarHBondContact O-N 2.87Å; F108-K110 VanDerWaalsContact C-N 3.28Å; F108-K110 PolarHBondContact O-N 2.84Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.83Å
111S86Confident90Very high39 Ų3959.9 Ų59.927%0.27327%0.274SS..Hα-helixtrans-73.6-18180-70.50000114.5M76 E107 F108 R109 N113M76-S111 WeakPolarHBondContact CE-OG 3.35Å; E107-S111 PolarHBondContact O-N 2.86Å; F108-S111 PolarHBondContact O-N 3.36Å; R109-S111 VanDerWaalsContact C-N 3.32Å; R109-S111 PolarHBondContact O-N 2.86Å; S111-N113 VanDerWaalsContact C-N 3.3Å; S111-N113 PolarHBondContact O-N 3.17Å
112L84.5Confident90.1Very high10 Ų1060 Ų605%0.05227%0.274CS..THydrogen-bonded Turntrans-75.2-9.3-178-68.2-171.5000115.2I80 F108 R109 K110 Y114 I115 I117I80-L112 HydrophobicContact CD1-CD2 3.66Å; I80-L112 HydrophobicContact CG1-CD2 3.71Å; F108-L112 HydrophobicContact CD1-CD1 4.13Å; F108-L112 HydrophobicContact CD1-CG 4.34Å; F108-L112 HydrophobicContact CE1-CD1 3.52Å; F108-L112 HydrophobicContact CE1-CD2 4.08Å; F108-L112 HydrophobicContact CE1-CG 3.94Å; F108-L112 HydrophobicContact CE2-CD2 4.34Å; F108-L112 HydrophobicContact CZ-CD1 4.06Å; F108-L112 HydrophobicContact CZ-CD2 3.78Å; F108-L112 HydrophobicContact CZ-CG 4.16Å; F108-L112 PolarHBondContact O-N 2.89Å; R109-L112 PolarHBondContact O-N 2.83Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.83Å; L112-Y114 VanDerWaalsContact C-N 3.28Å; L112-Y114 PolarHBondContact O-N 3.28Å; L112-Y114 VanDerWaalsContact O-N 3.12Å; L112-I115 VanDerWaalsContact O-CB 3.22Å; L112-I115 WeakPolarHBondContact O-CB 3.37Å; L112-I115 VanDerWaalsContact O-CG1 3.22Å; L112-I115 WeakPolarHBondContact O-CG1 3.49Å; L112-I115 PolarHBondContact O-N 3.06Å; L112-I117 HydrophobicContact CD1-CB 3.96Å; L112-I117 HydrophobicContact CD1-CD1 3.97Å; L112-I117 HydrophobicContact CD1-CG1 3.99Å; L112-I117 HydrophobicContact CD2-CD1 3.41Å; L112-I117 VanDerWaalsContact CD2-CD1 3.41Å; L112-I117 HydrophobicContact CD2-CG1 4.27Å; L112-I117 HydrophobicContact CG-CD1 4.32Å
113N79.6Confident90.3Very high128 Ų12855 Ų5568%0.68425%0.252SS*.THydrogen-bonded Turntrans43.550.1178.3-72-28.8000113.9S111 I115S111-N113 VanDerWaalsContact C-N 3.3Å; S111-N113 PolarHBondContact O-N 3.17Å; N113-I115 PolarHBondContact O-N 2.82Å
114Y78.4Confident90.6Very high237 Ų23750.6 Ų50.693%0.92923%0.23SC*.THydrogen-bonded Turntrans70.12.9-178.6-46.1-81.2000116.6L112 R116L112-Y114 VanDerWaalsContact C-N 3.28Å; L112-Y114 PolarHBondContact O-N 3.28Å; L112-Y114 VanDerWaalsContact O-N 3.12Å; Y114-R116 PolarHBondContact O-N 3.24Å
115I84.6Confident90.8Very high89 Ų8952.9 Ų52.946%0.45624%0.239SC..  trans-66.1123.2170.5-59.5170.1000108.5L112 N113 I117L112-I115 VanDerWaalsContact O-CB 3.22Å; L112-I115 WeakPolarHBondContact O-CB 3.37Å; L112-I115 VanDerWaalsContact O-CG1 3.22Å; L112-I115 WeakPolarHBondContact O-CG1 3.49Å; L112-I115 PolarHBondContact O-N 3.06Å; N113-I115 PolarHBondContact O-N 2.82Å; I115-I117 HydrophobicContact CG2-CD1 4.33Å; I115-I117 HydrophobicContact CG2-CG1 3.9Å; I115-I117 PolarHBondContact O-N 3.19Å
116R89.3Confident91.1Very high162 Ų16254.2 Ų54.261%0.61125%0.246SC*.  trans-78.9115174.6-175.2173.3174.5-163-3109.3Y114 E171 L175Y114-R116 PolarHBondContact O-N 3.24Å; R116-E171 IonicContact CZ-OE1 3.29Å; R116-E171 IonicContact NE-OE1 3.48Å; R116-E171 PolarHBondContact NE-OE1 2.95Å; R116-E171 IonicContact NH2-OE1 2.63Å; R116-E171 PolarHBondContact NH2-OE1 2.89Å; R116-L175 HydrophobicContact CG-CD1 4.36Å; R116-L175 HydrophobicContact CG-CD2 4.38Å
117I93.7Very high91.5Very high21 Ų2154.1 Ų54.111%0.10824%0.244CC..  trans-123.6131.7173.9-60.7-171.3000107.3T83 N84 L112 I115 V119T83-I117 HydrophobicContact CG2-CD1 4.31Å; T83-I117 HydrophobicContact CG2-CG2 4.35Å; T83-I117 WeakPolarHBondContact O-CD1 3.4Å; N84-I117 VanDerWaalsContact C-CG2 3.5Å; N84-I117 VanDerWaalsContact O-CG2 3.24Å; N84-I117 WeakPolarHBondContact O-CG2 3.32Å; L112-I117 HydrophobicContact CD1-CB 3.96Å; L112-I117 HydrophobicContact CD1-CD1 3.97Å; L112-I117 HydrophobicContact CD1-CG1 3.99Å; L112-I117 HydrophobicContact CD2-CD1 3.41Å; L112-I117 VanDerWaalsContact CD2-CD1 3.41Å; L112-I117 HydrophobicContact CD2-CG1 4.27Å; L112-I117 HydrophobicContact CG-CD1 4.32Å; I115-I117 HydrophobicContact CG2-CD1 4.33Å; I115-I117 HydrophobicContact CG2-CG1 3.9Å; I115-I117 PolarHBondContact O-N 3.19Å; I117-V119 WeakPolarHBondContact O-CG2 3.48Å; I117-V119 PolarHBondContact O-N 2.95Å
118P96.6Very high91.9Very high2 Ų253.9 Ų53.91%0.01324%0.244CC..  trans-58.2124.1170.1-26.235.8000111.3N84 L85 V86 L168 E171 L175N84-P118 WeakPolarHBondContact O-CD 3.3Å; L85-P118 HydrophobicContact CD2-CB 3.67Å; L85-P118 HydrophobicContact CD2-CG 3.86Å; V86-P118 PolarHBondContact N-O 3.31Å; P118-L168 HydrophobicContact CB-CD2 3.65Å; P118-L168 WeakPolarHBondContact O-CD2 3.5Å; P118-E171 HydrophobicContact CB-CB 4.11Å; P118-E171 HydrophobicContact CB-CG 4.21Å; P118-E171 WeakPolarHBondContact CB-OE2 3.47Å; P118-E171 HydrophobicContact CG-CB 3.93Å; P118-E171 HydrophobicContact CG-CG 3.82Å; P118-L175 HydrophobicContact CG-CD1 3.74Å
119V96.5Very high92.3Very high5 Ų562.2 Ų62.23%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-133.1137.7179.7-1770000108.8V86 L105 F108 I117 I148 P149V86-V119 HydrophobicContact CB-CB 4.49Å; V86-V119 HydrophobicContact CB-CG1 4.11Å; V86-V119 HydrophobicContact CB-CG2 4.1Å; V86-V119 HydrophobicContact CG1-CG1 4.15Å; V86-V119 WeakPolarHBondContact O-CA 3.32Å; L105-V119 HydrophobicContact CD2-CG1 3.59Å; F108-V119 HydrophobicContact CD1-CG2 4.4Å; F108-V119 HydrophobicContact CE1-CG2 3.88Å; I117-V119 WeakPolarHBondContact O-CG2 3.48Å; I117-V119 PolarHBondContact O-N 2.95Å; V119-I148 HydrophobicContact CB-CG2 4.1Å; V119-I148 HydrophobicContact CG1-CD1 4.44Å; V119-I148 HydrophobicContact CG1-CG2 4.45Å; V119-I148 WeakPolarHBondContact O-CB 3.31Å; V119-P149 VanDerWaalsContact O-CD 3.3Å; V119-P149 WeakPolarHBondContact O-CD 3.41Å
120V98.2Very high92.8Very high0 Ų062.5 Ų62.50%031%0.305CS..EExtended strand (participates in β ladder)trans-128144.1175.2-63.50000111.4V86 V87 V88 V122 P149 F151 P164 L168V86-V120 PolarHBondContact O-N 3.47Å; V87-V120 HydrophobicContact CB-CG2 4.23Å; V87-V120 HydrophobicContact CG1-CG2 4.19Å; V87-V120 HydrophobicContact CG2-CG2 3.84Å; V88-V120 PolarHBondContact N-O 2.69Å; V120-V122 HydrophobicContact CG2-CG2 4.27Å; V120-P149 HydrophobicContact CG1-CB 4.19Å; V120-P149 HydrophobicContact CG1-CG 4.07Å; V120-F151 HydrophobicContact CB-CD2 4.16Å; V120-F151 HydrophobicContact CB-CE2 4.17Å; V120-F151 HydrophobicContact CG1-CD2 4.24Å; V120-F151 HydrophobicContact CG1-CE2 3.74Å; V120-P164 HydrophobicContact CG2-CB 4.06Å; V120-L168 HydrophobicContact CB-CD2 4.49Å; V120-L168 HydrophobicContact CG1-CD2 3.75Å; V120-L168 HydrophobicContact CG1-CG 3.92Å; V120-L168 HydrophobicContact CG2-CD1 3.82Å; V120-L168 HydrophobicContact CG2-CD2 4.18Å; V120-L168 HydrophobicContact CG2-CG 4.02Å
121L98.5Very high93.3Very high0 Ų062.1 Ų62.10%030%0.303CS..EExtended strand (participates in β ladder)trans-94.1133.8168.2179.462.8000109.3F90 A101 L105 L142 A143 I148 P149 Y150 F151F90-L121 HydrophobicContact CD1-CD1 3.67Å; F90-L121 HydrophobicContact CD1-CG 4.23Å; F90-L121 HydrophobicContact CE1-CD1 3.87Å; F90-L121 HydrophobicContact CE1-CD2 4.14Å; F90-L121 HydrophobicContact CE1-CG 3.91Å; A101-L121 HydrophobicContact CB-CD1 4.31Å; L105-L121 HydrophobicContact CD1-CD1 4.01Å; L121-L142 HydrophobicContact CD2-CD2 4Å; L121-L142 HydrophobicContact CD2-CG 4.32Å; L121-A143 HydrophobicContact CD2-CB 4.26Å; L121-I148 HydrophobicContact CB-CD1 3.98Å; L121-P149 PolarHBondContact N-O 3.27Å; L121-Y150 HydrophobicContact CB-CD2 4.21Å; L121-Y150 HydrophobicContact CD2-CD2 4.05Å; L121-Y150 HydrophobicContact CG-CD2 3.89Å; L121-Y150 HydrophobicContact CG-CE2 4.41Å; L121-Y150 WeakPolarHBondContact O-CA 3.49Å; L121-Y150 WeakPolarHBondContact O-CD2 3.42Å; L121-F151 PolarHBondContact O-N 3.46Å
122V98.8Very high93.8Very high1 Ų163.6 Ų63.61%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-126.3119.9-179.3175.60000110.9I22 V87 V88 V89 F90 V120 F151 T153 P164I22-V122 HydrophobicContact CD1-CG1 4.05Å; V87-V122 HydrophobicContact CG1-CB 4.24Å; V87-V122 HydrophobicContact CG1-CG2 3.66Å; V88-V122 PolarHBondContact O-N 3.28Å; V89-V122 WeakPolarHBondContact CA-O 3.47Å; V89-V122 HydrophobicContact CG2-CB 4.37Å; F90-V122 VanDerWaalsContact CD1-O 3.31Å; F90-V122 WeakPolarHBondContact CD1-O 3.37Å; F90-V122 PolarHBondContact N-O 3.45Å; V120-V122 HydrophobicContact CG2-CG2 4.27Å; V122-F151 CarbonylContact C-O 3.47Å; V122-F151 WeakPolarHBondContact CA-O 3.28Å; V122-T153 HydrophobicContact CG1-CG2 3.65Å; V122-T153 VanDerWaalsContact CG1-OG1 3.3Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.31Å; V122-P164 HydrophobicContact CG2-CB 3.96Å; V122-P164 HydrophobicContact CG2-CG 3.85Å
123G98.7Very high94.4Very high0 Ų068.6 Ų68.60%033%0.328CS..EExtended strand (participates in β ladder)trans-93106.8171.100000110.1F90 F151 E152 T153F90-G123 VanDerWaalsContact CE1-CA 3.49Å; G123-F151 PolarHBondContact N-O 3.14Å; G123-E152 WeakPolarHBondContact O-CA 3.36Å; G123-T153 PolarHBondContact O-N 3.36Å
124N98.6Very high95.1Very high4 Ų462.5 Ų62.52%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-96.3166.2-175.5-168.233.6000112.7C17 I22 V89 F90 V92 T153 A155C17-N124 PolarHBondContact O-ND2 3.38Å; I22-N124 HydrophobicContact CD1-CB 4Å; V89-N124 HydrophobicContact CG1-CB 3.89Å; F90-N124 WeakPolarHBondContact O-CB 3.14Å; F90-N124 PolarHBondContact O-N 2.93Å; V92-N124 WeakPolarHBondContact CG1-O 3.36Å; V92-N124 WeakPolarHBondContact CG2-O 3.22Å; V92-N124 PolarHBondContact N-O 2.93Å; N124-T153 CarbonylContact C-O 3.38Å; N124-T153 VanDerWaalsContact CA-O 3.28Å; N124-T153 WeakPolarHBondContact CA-O 3.32Å; N124-T153 PolarHBondContact OD1-O 3.27Å; N124-T153 PolarHBondContact OD1-OG1 3.1Å; N124-T153 VanDerWaalsContact OD1-OG1 3.06Å; N124-A155 PolarHBondContact OD1-N 3.43Å
125K97.7Very high95.9Very high50 Ų5053.4 Ų53.422%0.21727%0.267CS..  trans68.533.1179.3-44.9-167.8-163165.10114.2S16 D91 D127 L128 T153S16-K125 WeakPolarHBondContact O-CE 3.22Å; S16-K125 PolarHBondContact O-NZ 3.49Å; D91-K125 HydrophobicContact CB-CD 4.37Å; D91-K125 VanDerWaalsContact OD2-CD 3.24Å; D91-K125 WeakPolarHBondContact OD2-CD 3.49Å; D91-K125 WeakPolarHBondContact OD2-CE 3.28Å; D91-K125 IonicContact OD2-NZ 3.17Å; D91-K125 PolarHBondContact OD2-NZ 2.87Å; K125-D127 WeakPolarHBondContact CA-OD1 3.35Å; K125-D127 PolarHBondContact O-N 3.43Å; K125-D127 VanDerWaalsContact O-N 3.08Å; K125-L128 HydrophobicContact CB-CD1 4.16Å; K125-L128 HydrophobicContact CB-CG 4.42Å; K125-L128 HydrophobicContact CD-CD1 4.28Å; K125-L128 WeakPolarHBondContact O-CB 3.46Å; K125-L128 PolarHBondContact O-N 3Å; K125-T153 PolarHBondContact N-O 2.88Å
126I98.3Very high96.6Very high30 Ų3051.9 Ų51.915%0.15426%0.261CS..THydrogen-bonded Turntrans-63.5-13.4176.569.5178.6000114.2V92 L128 K129 E152 T153 V159V92-I126 HydrophobicContact CG1-CG2 4.14Å; V92-I126 HydrophobicContact CG2-CG2 4.38Å; I126-L128 PolarHBondContact O-N 3.42Å; I126-K129 VanDerWaalsContact O-CG 3.31Å; I126-K129 WeakPolarHBondContact O-CG 3.46Å; I126-E152 HydrophobicContact CD1-CB 4.04Å; I126-E152 HydrophobicContact CG2-CB 3.85Å; I126-E152 HydrophobicContact CG2-CG 4.32Å; I126-T153 PolarHBondContact N-O 2.85Å; I126-V159 HydrophobicContact CD1-CG1 4.15Å
127D97.4Very high97Very high44 Ų4450.8 Ų50.824%0.23526%0.263CS..THydrogen-bonded Turntrans-63.4-25170.259.4-78.6000112.4K125 K129 S154 K156 E157K125-D127 WeakPolarHBondContact CA-OD1 3.35Å; K125-D127 PolarHBondContact O-N 3.43Å; K125-D127 VanDerWaalsContact O-N 3.08Å; D127-K129 PolarHBondContact O-N 3.23Å; D127-S154 VanDerWaalsContact CG-OG 3.31Å; D127-S154 WeakPolarHBondContact OD1-CB 3.47Å; D127-S154 PolarHBondContact OD1-OG 2.99Å; D127-K156 WeakPolarHBondContact OD2-CD 3.47Å; D127-K156 IonicContact OD2-NZ 2.65Å; D127-E157 HydrophobicContact CB-CG 3.65Å
128L96.8Very high97.1Very high56 Ų5653.2 Ų53.229%0.29327%0.274SS..  trans-85.247.7178.1-57.8-178.5000112.5T93 K125 I126 A130 K131 R132T93-L128 HydrophobicContact CG2-CB 3.71Å; T93-L128 HydrophobicContact CG2-CD1 4.07Å; K125-L128 HydrophobicContact CB-CD1 4.16Å; K125-L128 HydrophobicContact CB-CG 4.42Å; K125-L128 HydrophobicContact CD-CD1 4.28Å; K125-L128 WeakPolarHBondContact O-CB 3.46Å; K125-L128 PolarHBondContact O-N 3Å; I126-L128 PolarHBondContact O-N 3.42Å; L128-A130 VanDerWaalsContact C-N 3.28Å; L128-A130 PolarHBondContact O-N 3.31Å; L128-A130 VanDerWaalsContact O-N 3.1Å; L128-K131 HydrophobicContact CB-CB 4.32Å; L128-K131 WeakPolarHBondContact O-CA 3.33Å; L128-K131 PolarHBondContact O-N 2.85Å; L128-R132 PolarHBondContact O-N 3.17Å
129K94.5Very high97.2Very high176 Ų17653.1 Ų53.177%0.76527%0.274SS*.G310 helixtrans-48.3-44.1-172.9-63.1-176.8-179.7-178.90114.2I126 D127 K131 R132I126-K129 VanDerWaalsContact O-CG 3.31Å; I126-K129 WeakPolarHBondContact O-CG 3.46Å; D127-K129 PolarHBondContact O-N 3.23Å; K129-K131 PolarHBondContact O-N 2.98Å; K129-R132 PolarHBondContact O-N 3.19Å
130A96Very high97.3Very high108 Ų10856.2 Ų56.289%0.89329%0.287SS*.G310 helixtrans-71-12.7-178.600000114.3L128L128-A130 VanDerWaalsContact C-N 3.28Å; L128-A130 PolarHBondContact O-N 3.31Å; L128-A130 VanDerWaalsContact O-N 3.1Å
131K96.1Very high97.2Very high142 Ų14258.9 Ų58.962%0.61731%0.31SS*.G310 helixtrans-108.32.2178.8-61.2-174.5177.7-174.90112.7T93 L128 K129 I133T93-K131 WeakPolarHBondContact CA-O 3.4Å; T93-K131 VanDerWaalsContact CB-O 3.25Å; T93-K131 WeakPolarHBondContact CB-O 3.32Å; T93-K131 HydrophobicContact CG2-CB 3.78Å; T93-K131 WeakPolarHBondContact CG2-O 3.48Å; L128-K131 HydrophobicContact CB-CB 4.32Å; L128-K131 WeakPolarHBondContact O-CA 3.33Å; L128-K131 PolarHBondContact O-N 2.85Å; K129-K131 PolarHBondContact O-N 2.98Å; K131-I133 PolarHBondContact O-N 3.4Å
132R97.9Very high97.1Very high70 Ų7059.5 Ų59.526%0.26431%0.313SS..  trans-59.4130.6177.8174.8-179.8-77.8-105.78.1109.4V92 L128 K129 N134 E152V92-R132 HydrophobicContact CB-CG 4.47Å; V92-R132 WeakPolarHBondContact O-CA 3.49Å; L128-R132 PolarHBondContact O-N 3.17Å; K129-R132 PolarHBondContact O-N 3.19Å; R132-N134 WeakPolarHBondContact CD-O 3.1Å; R132-N134 WeakPolarHBondContact CG-O 3.38Å; R132-N134 PolarHBondContact NH1-O 3.5Å; R132-E152 IonicContact CZ-OE1 3.67Å; R132-E152 VanDerWaalsContact CZ-OE1 3.29Å; R132-E152 IonicContact NH1-OE1 3.64Å; R132-E152 PolarHBondContact NH1-OE1 2.89Å; R132-E152 VanDerWaalsContact NH1-OE1 3.1Å; R132-E152 IonicContact NH2-OE1 2.85Å; R132-E152 PolarHBondContact NH2-OE1 3.32Å; R132-E152 IonicContact NH2-OE2 3.1Å; R132-E152 PolarHBondContact NH2-OE2 3.34Å; R132-E152 VanDerWaalsContact NH2-OE2 3.17Å
133I96.7Very high97Very high115 Ų11559.4 Ų59.459%0.5931%0.313SS*.  trans-114.3-36.6174.5-57-179000109.9V92 T93 H95 K131V92-I133 PolarHBondContact O-N 3.41Å; T93-I133 WeakPolarHBondContact O-CD1 3.46Å; H95-I133 HydrophobicContact CB-CG2 4.33Å; K131-I133 PolarHBondContact O-N 3.4Å
134N94.3Very high97Very high0 Ų064 Ų640%034%0.337CS..SBendtrans-87124.6175.9-64.1102.4000111.5F90 V92 D94 H95 F98 R132 E138F90-N134 HydrophobicContact CE2-CB 4.17Å; V92-N134 PolarHBondContact O-N 3.39Å; V92-N134 VanDerWaalsContact O-N 3.13Å; D94-N134 PolarHBondContact O-OD1 3.34Å; H95-N134 WeakPolarHBondContact CA-OD1 3.47Å; H95-N134 PolarHBondContact CD2-ND2 2.95Å; H95-N134 PolarHBondContact N-OD1 2.87Å; F98-N134 WeakPolarHBondContact CD1-ND2 3.21Å; R132-N134 WeakPolarHBondContact CD-O 3.1Å; R132-N134 WeakPolarHBondContact CG-O 3.38Å; R132-N134 PolarHBondContact NH1-O 3.5Å; N134-E138 PolarHBondContact ND2-OE2 3.21Å
135S95.7Very high96.8Very high46 Ų4669.8 Ų69.832%0.32237%0.368SS..  trans-72.2154.8178.370.90000111.6E137 E138 A139S135-E137 WeakPolarHBondContact CB-OE2 3.29Å; S135-E137 PolarHBondContact O-N 3.38Å; S135-E138 PolarHBondContact O-N 3.44Å; S135-E138 WeakPolarHBondContact OG-CB 3.4Å; S135-E138 PolarHBondContact OG-N 3.13Å; S135-A139 PolarHBondContact O-N 2.94Å
136V97.5Very high96.5Very high57 Ų5768.5 Ų68.535%0.34536%0.363SS..Hα-helixtrans-63.4-38.9175.6-177.30000109.2A139 Q140 Y150V136-A139 PolarHBondContact O-N 3.18Å; V136-Q140 VanDerWaalsContact O-CB 3.28Å; V136-Q140 WeakPolarHBondContact O-CB 3.48Å; V136-Q140 PolarHBondContact O-N 3.36Å; V136-Y150 HydrophobicContact CG1-CE1 4.19Å
137E97.9Very high96.4Very high139 Ų13971.9 Ų71.965%0.6539%0.39SS*.Hα-helixtrans-64.3-42.2-178.6-61.773.5-162.400111.7S135 A141S135-E137 WeakPolarHBondContact CB-OE2 3.29Å; S135-E137 PolarHBondContact O-N 3.38Å; E137-A141 VanDerWaalsContact O-CB 3.25Å; E137-A141 WeakPolarHBondContact O-CB 3.41Å; E137-A141 PolarHBondContact O-N 3.46Å
138E96.8Very high96.3Very high73 Ų7370.3 Ų70.334%0.34138%0.381SS..Hα-helixtrans-65.2-44.4176.3-178.1-175.2-154.500111.7F98 N134 S135 A141 L142F98-E138 HydrophobicContact CE1-CG 3.68Å; F98-E138 HydrophobicContact CZ-CG 3.92Å; N134-E138 PolarHBondContact ND2-OE2 3.21Å; S135-E138 PolarHBondContact O-N 3.44Å; S135-E138 WeakPolarHBondContact OG-CB 3.4Å; S135-E138 PolarHBondContact OG-N 3.13Å; E138-A141 PolarHBondContact O-N 2.87Å; E138-L142 PolarHBondContact O-N 2.89Å; E138-L142 VanDerWaalsContact O-N 3.08Å
139A97.7Very high96.4Very high0 Ų069.3 Ų69.30%038%0.378CS..Hα-helixtrans-67.1-39.9178.200000112.2F90 F98 S135 V136 L142 A143 Y150F90-A139 HydrophobicContact CE1-CB 4.27Å; F90-A139 HydrophobicContact CZ-CB 3.67Å; F98-A139 HydrophobicContact CE2-CB 3.99Å; S135-A139 PolarHBondContact O-N 2.94Å; V136-A139 PolarHBondContact O-N 3.18Å; A139-L142 PolarHBondContact O-N 3.2Å; A139-A143 PolarHBondContact O-N 3.15Å; A139-A143 VanDerWaalsContact O-N 3.09Å; A139-Y150 HydrophobicContact CB-CD1 4.26Å; A139-Y150 HydrophobicContact CB-CD2 4.35Å; A139-Y150 HydrophobicContact CB-CE1 3.68Å; A139-Y150 HydrophobicContact CB-CE2 3.81Å; A139-Y150 VanDerWaalsContact CB-CZ 3.43Å
140Q98.3Very high96.6Very high69 Ų6961.9 Ų61.932%0.32235%0.345SS..Hα-helixtrans-64-44.7174.2-172.162.257.100111.2V136 L142 A143 D144 Y150V136-Q140 VanDerWaalsContact O-CB 3.28Å; V136-Q140 WeakPolarHBondContact O-CB 3.48Å; V136-Q140 PolarHBondContact O-N 3.36Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 2.77Å; Q140-A143 WeakPolarHBondContact O-CB 3.34Å; Q140-A143 PolarHBondContact O-N 3.12Å; Q140-A143 VanDerWaalsContact O-N 3.08Å; Q140-D144 PolarHBondContact NE2-OD1 2.92Å; Q140-D144 WeakPolarHBondContact O-CB 3.48Å; Q140-D144 PolarHBondContact O-N 3.33Å; Q140-Y150 HydrophobicContact CB-CD1 4.39Å
141A97.6Very high96.7Very high57 Ų5758.5 Ų58.547%0.47131%0.311SS..Hα-helixtrans-60.6-39.1178.100000112.4E137 E138 D145E137-A141 VanDerWaalsContact O-CB 3.25Å; E137-A141 WeakPolarHBondContact O-CB 3.41Å; E137-A141 PolarHBondContact O-N 3.46Å; E138-A141 PolarHBondContact O-N 2.87Å; A141-D145 WeakPolarHBondContact O-CB 3.44Å; A141-D145 PolarHBondContact O-N 3.47Å
142L96Very high96.8Very high12 Ų1254.6 Ų54.66%0.06329%0.294CS..Hα-helixtrans-62.7-44.4172.7172.462.1000111.9F98 K102 L121 E138 A139 Q140 L146F98-L142 HydrophobicContact CD2-CD2 4.46Å; F98-L142 HydrophobicContact CE1-CD2 4.48Å; F98-L142 HydrophobicContact CE2-CB 4.49Å; F98-L142 HydrophobicContact CE2-CD2 3.6Å; F98-L142 HydrophobicContact CZ-CB 4.03Å; F98-L142 HydrophobicContact CZ-CD2 3.61Å; F98-L142 HydrophobicContact CZ-CG 4.46Å; K102-L142 HydrophobicContact CB-CD1 4.15Å; K102-L142 HydrophobicContact CB-CD2 3.84Å; K102-L142 HydrophobicContact CD-CD1 3.84Å; K102-L142 HydrophobicContact CG-CD1 3.68Å; K102-L142 HydrophobicContact CG-CD2 4.3Å; L121-L142 HydrophobicContact CD2-CD2 4Å; L121-L142 HydrophobicContact CD2-CG 4.32Å; E138-L142 PolarHBondContact O-N 2.89Å; E138-L142 VanDerWaalsContact O-N 3.08Å; A139-L142 PolarHBondContact O-N 3.2Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 2.77Å; L142-L146 HydrophobicContact CD1-CD1 3.77Å; L142-L146 HydrophobicContact CD1-CG 4.28Å; L142-L146 HydrophobicContact CG-CD1 4.25Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 3.13Å; L142-L146 VanDerWaalsContact O-N 3.13Å
143A97.3Very high96.9Very high0 Ų051.2 Ų51.20%028%0.282CS..Hα-helixtrans-65.4-40.7-179.800000111.6L121 A139 Q140 L146 S147 I148L121-A143 HydrophobicContact CD2-CB 4.26Å; A139-A143 PolarHBondContact O-N 3.15Å; A139-A143 VanDerWaalsContact O-N 3.09Å; Q140-A143 WeakPolarHBondContact O-CB 3.34Å; Q140-A143 PolarHBondContact O-N 3.12Å; Q140-A143 VanDerWaalsContact O-N 3.08Å; A143-L146 CarbonylContact O-C 3.57Å; A143-L146 PolarHBondContact O-N 2.97Å; A143-S147 WeakPolarHBondContact O-CA 3.48Å; A143-S147 PolarHBondContact O-N 2.68Å; A143-I148 CarbonylContact C-O 3.57Å; A143-I148 HydrophobicContact CB-CG1 4.12Å; A143-I148 WeakPolarHBondContact CB-O 3.48Å; A143-I148 PolarHBondContact O-N 3Å
144D97.3Very high96.9Very high96 Ų9645.8 Ų45.851%0.51325%0.254SS..Hα-helixtrans-64.8-45.4176.6-65.9-16.7000111.7Q140 L146 S147Q140-D144 PolarHBondContact NE2-OD1 2.92Å; Q140-D144 WeakPolarHBondContact O-CB 3.48Å; Q140-D144 PolarHBondContact O-N 3.33Å; D144-L146 PolarHBondContact O-N 2.82Å; D144-S147 PolarHBondContact O-N 3.23Å
145D95Very high97Very high126 Ų12646 Ų4667%0.67426%0.255SS*.Hα-helixtrans-57.2-38.9175.4-178.661000111.6A141 S147A141-D145 WeakPolarHBondContact O-CB 3.44Å; A141-D145 PolarHBondContact O-N 3.47Å; D145-S147 VanDerWaalsContact C-N 3.33Å
146L92.5Very high96.9Very high22 Ų2249 Ų4912%0.11526%0.263CS..THydrogen-bonded Turntrans-86.1-2.1175.4-64.7173.8000113L105 R109 L142 A143 D144 I148L105-L146 HydrophobicContact CB-CD1 3.7Å; L105-L146 HydrophobicContact CD1-CD1 3.73Å; L105-L146 HydrophobicContact CG-CD1 4.27Å; R109-L146 PolarHBondContact NH1-O 2.95Å; R109-L146 PolarHBondContact NH2-O 3.01Å; L142-L146 HydrophobicContact CD1-CD1 3.77Å; L142-L146 HydrophobicContact CD1-CG 4.28Å; L142-L146 HydrophobicContact CG-CD1 4.25Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 3.13Å; L142-L146 VanDerWaalsContact O-N 3.13Å; A143-L146 CarbonylContact O-C 3.57Å; A143-L146 PolarHBondContact O-N 2.97Å; D144-L146 PolarHBondContact O-N 2.82Å; L146-I148 VanDerWaalsContact C-N 3.3Å; L146-I148 HydrophobicContact CB-CD1 4.27Å; L146-I148 HydrophobicContact CB-CG1 4.09Å; L146-I148 HydrophobicContact CD1-CD1 4.39Å; L146-I148 PolarHBondContact O-N 2.8Å
147S94.4Very high96.8Very high101 Ų10151.4 Ų51.471%0.70627%0.27SS*.THydrogen-bonded Turntrans49.650.5-175.1-52.40000112.3R109 A143 D144 D145R109-S147 PolarHBondContact NH2-O 2.91Å; A143-S147 WeakPolarHBondContact O-CA 3.48Å; A143-S147 PolarHBondContact O-N 2.68Å; D144-S147 PolarHBondContact O-N 3.23Å; D145-S147 VanDerWaalsContact C-N 3.33Å
148I96.4Very high96.6Very high12 Ų1246.9 Ų46.96%0.06226%0.256CS..  trans-127.9154.6173.161.4177.8000110L105 V119 L121 A143 L146L105-I148 HydrophobicContact CD1-CD1 3.69Å; L105-I148 HydrophobicContact CD2-CD1 3.72Å; L105-I148 HydrophobicContact CG-CD1 4.36Å; V119-I148 HydrophobicContact CB-CG2 4.1Å; V119-I148 HydrophobicContact CG1-CD1 4.44Å; V119-I148 HydrophobicContact CG1-CG2 4.45Å; V119-I148 WeakPolarHBondContact O-CB 3.31Å; L121-I148 HydrophobicContact CB-CD1 3.98Å; A143-I148 CarbonylContact C-O 3.57Å; A143-I148 HydrophobicContact CB-CG1 4.12Å; A143-I148 WeakPolarHBondContact CB-O 3.48Å; A143-I148 PolarHBondContact O-N 3Å; L146-I148 VanDerWaalsContact C-N 3.3Å; L146-I148 HydrophobicContact CB-CD1 4.27Å; L146-I148 HydrophobicContact CB-CG1 4.09Å; L146-I148 HydrophobicContact CD1-CD1 4.39Å; L146-I148 PolarHBondContact O-N 2.8Å
149P98.2Very high96.6Very high34 Ų3446.9 Ų46.922%0.22126%0.261CS..  trans-69.8148.1172.6-1427.9000112.3V119 V120 L121 F151 H167V119-P149 VanDerWaalsContact O-CD 3.3Å; V119-P149 WeakPolarHBondContact O-CD 3.41Å; V120-P149 HydrophobicContact CG1-CB 4.19Å; V120-P149 HydrophobicContact CG1-CG 4.07Å; L121-P149 PolarHBondContact N-O 3.27Å; P149-F151 HydrophobicContact CB-CD2 4.44Å; P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CB-CZ 3.92Å; P149-H167 WeakPolarHBondContact CG-NE2 3.25Å
150Y98.6Very high96.6Very high20 Ų2048 Ų488%0.07827%0.273CS..EExtended strand (participates in β ladder)trans-113.5138170174.1-127.8000110.7F90 L121 V136 A139 Q140 E152F90-Y150 AromaticContact CE1-CE2 3.72Å; F90-Y150 HydrophobicContact CE1-CE2 3.72Å; F90-Y150 AromaticContact CZ-CE2 3.87Å; F90-Y150 HydrophobicContact CZ-CE2 3.87Å; L121-Y150 HydrophobicContact CB-CD2 4.21Å; L121-Y150 HydrophobicContact CD2-CD2 4.05Å; L121-Y150 HydrophobicContact CG-CD2 3.89Å; L121-Y150 HydrophobicContact CG-CE2 4.41Å; L121-Y150 WeakPolarHBondContact O-CA 3.49Å; L121-Y150 WeakPolarHBondContact O-CD2 3.42Å; V136-Y150 HydrophobicContact CG1-CE1 4.19Å; A139-Y150 HydrophobicContact CB-CD1 4.26Å; A139-Y150 HydrophobicContact CB-CD2 4.35Å; A139-Y150 HydrophobicContact CB-CE1 3.68Å; A139-Y150 HydrophobicContact CB-CE2 3.81Å; A139-Y150 VanDerWaalsContact CB-CZ 3.43Å; Q140-Y150 HydrophobicContact CB-CD1 4.39Å; Y150-E152 HydrophobicContact CE1-CG 3.95Å; Y150-E152 PolarHBondContact OH-OE1 3.11Å
151F98.7Very high96.5Very high38 Ų3845.1 Ų45.117%0.16726%0.26CS..EExtended strand (participates in β ladder)trans-133.8148.9174.7-60.5-76.1000111.7V120 L121 V122 G123 P149 V163 P164 H167V120-F151 HydrophobicContact CB-CD2 4.16Å; V120-F151 HydrophobicContact CB-CE2 4.17Å; V120-F151 HydrophobicContact CG1-CD2 4.24Å; V120-F151 HydrophobicContact CG1-CE2 3.74Å; L121-F151 PolarHBondContact O-N 3.46Å; V122-F151 CarbonylContact C-O 3.47Å; V122-F151 WeakPolarHBondContact CA-O 3.28Å; G123-F151 PolarHBondContact N-O 3.14Å; P149-F151 HydrophobicContact CB-CD2 4.44Å; P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CB-CZ 3.92Å; F151-V163 HydrophobicContact CD1-CB 4.44Å; F151-V163 HydrophobicContact CD1-CG1 3.74Å; F151-V163 HydrophobicContact CE1-CG1 3.6Å; F151-V163 HydrophobicContact CZ-CG1 4.45Å; F151-P164 HydrophobicContact CB-CG 3.78Å; F151-P164 HydrophobicContact CD2-CB 3.85Å; F151-P164 HydrophobicContact CD2-CG 3.96Å; F151-P164 HydrophobicContact CE2-CB 4.39Å; F151-P164 HydrophobicContact CG-CB 4.34Å; F151-P164 HydrophobicContact CG-CG 3.94Å; F151-H167 HydrophobicContact CE2-CB 4.04Å; F151-H167 HydrophobicContact CZ-CB 3.74Å; F151-H167 AromaticContact CZ-CG 3.77Å; F151-H167 AromaticContact CZ-ND1 3.93Å
152E98.6Very high96.4Very high59 Ų5945.9 Ų45.928%0.27626%0.256SS..EExtended strand (participates in β ladder)trans-104.6134.3173.5-67.1-145.9141.200111.2G123 I126 R132 Y150G123-E152 WeakPolarHBondContact O-CA 3.36Å; I126-E152 HydrophobicContact CD1-CB 4.04Å; I126-E152 HydrophobicContact CG2-CB 3.85Å; I126-E152 HydrophobicContact CG2-CG 4.32Å; R132-E152 IonicContact CZ-OE1 3.67Å; R132-E152 VanDerWaalsContact CZ-OE1 3.29Å; R132-E152 IonicContact NH1-OE1 3.64Å; R132-E152 PolarHBondContact NH1-OE1 2.89Å; R132-E152 VanDerWaalsContact NH1-OE1 3.1Å; R132-E152 IonicContact NH2-OE1 2.85Å; R132-E152 PolarHBondContact NH2-OE1 3.32Å; R132-E152 IonicContact NH2-OE2 3.1Å; R132-E152 PolarHBondContact NH2-OE2 3.34Å; R132-E152 VanDerWaalsContact NH2-OE2 3.17Å; Y150-E152 HydrophobicContact CE1-CG 3.95Å; Y150-E152 PolarHBondContact OH-OE1 3.11Å
153T98.4Very high96.5Very high0 Ų048.7 Ų48.70%027%0.273CS..EExtended strand (participates in β ladder)trans-134.2151-178.665.40000113V122 G123 N124 K125 I126 V159 I161 P164V122-T153 HydrophobicContact CG1-CG2 3.65Å; V122-T153 VanDerWaalsContact CG1-OG1 3.3Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.31Å; G123-T153 PolarHBondContact O-N 3.36Å; N124-T153 CarbonylContact C-O 3.38Å; N124-T153 VanDerWaalsContact CA-O 3.28Å; N124-T153 WeakPolarHBondContact CA-O 3.32Å; N124-T153 PolarHBondContact OD1-O 3.27Å; N124-T153 PolarHBondContact OD1-OG1 3.1Å; N124-T153 VanDerWaalsContact OD1-OG1 3.06Å; K125-T153 PolarHBondContact N-O 2.88Å; I126-T153 PolarHBondContact N-O 2.85Å; T153-V159 CarbonylContact C-O 3.59Å; T153-V159 WeakPolarHBondContact CA-O 3.21Å; T153-I161 HydrophobicContact CG2-CD1 4.34Å; T153-P164 HydrophobicContact CG2-CG 4.17Å
154S97.7Very high96.5Very high1 Ų148.8 Ų48.81%0.00727%0.274CS..BIsolated β-bridgetrans-125109.1156.8175.70000108.4D127 K156 E157 A158 V159D127-S154 VanDerWaalsContact CG-OG 3.31Å; D127-S154 WeakPolarHBondContact OD1-CB 3.47Å; D127-S154 PolarHBondContact OD1-OG 2.99Å; S154-K156 PolarHBondContact O-N 2.86Å; S154-K156 PolarHBondContact OG-N 2.68Å; S154-E157 PolarHBondContact OG-N 2.97Å; S154-E157 VanDerWaalsContact OG-N 3.08Å; S154-A158 CarbonylContact O-C 3.54Å; S154-A158 WeakPolarHBondContact O-CA 3.46Å; S154-A158 PolarHBondContact O-N 3.35Å; S154-V159 PolarHBondContact N-O 2.87Å; S154-V159 PolarHBondContact O-N 2.98Å
155A95.8Very high96.5Very high3 Ų344.2 Ų44.23%0.02525%0.25CC..THydrogen-bonded Turntrans-61.9-32.7172.200000111.9I22 S25 F33 N124 I161I22-A155 HydrophobicContact CG1-CB 4.05Å; S25-A155 PolarHBondContact OG-O 3.12Å; S25-A155 VanDerWaalsContact OG-O 3.13Å; F33-A155 VanDerWaalsContact CD2-C 3.46Å; F33-A155 HydrophobicContact CD2-CB 4.23Å; F33-A155 VanDerWaalsContact CD2-O 3.23Å; F33-A155 WeakPolarHBondContact CD2-O 3.45Å; F33-A155 VanDerWaalsContact CE2-C 3.5Å; F33-A155 HydrophobicContact CE2-CB 3.77Å; N124-A155 PolarHBondContact OD1-N 3.43Å; A155-I161 HydrophobicContact CB-CD1 4.04Å
156K94.4Very high96.6Very high110 Ų11040.9 Ų40.948%0.47823%0.232SC..THydrogen-bonded Turntrans-68.1-46.8-178.7-179.3-174.2161.5-152.90112.4F33 D127 S154 A158F33-K156 HydrophobicContact CD1-CB 4.41Å; F33-K156 HydrophobicContact CD1-CG 4.25Å; F33-K156 VanDerWaalsContact CD2-CA 3.46Å; F33-K156 HydrophobicContact CD2-CB 4.29Å; F33-K156 HydrophobicContact CE1-CB 4.04Å; F33-K156 HydrophobicContact CE1-CG 4.05Å; F33-K156 VanDerWaalsContact CE2-CA 3.44Å; F33-K156 HydrophobicContact CE2-CB 3.86Å; F33-K156 VanDerWaalsContact CE2-N 3.33Å; F33-K156 HydrophobicContact CZ-CB 3.74Å; F33-K156 HydrophobicContact CZ-CG 4.27Å; D127-K156 WeakPolarHBondContact OD2-CD 3.47Å; D127-K156 IonicContact OD2-NZ 2.65Å; S154-K156 PolarHBondContact O-N 2.86Å; S154-K156 PolarHBondContact OG-N 2.68Å; K156-A158 VanDerWaalsContact C-N 3.32Å
157E95Very high96.9Very high107 Ų10743.2 Ų43.250%0.524%0.242SC..THydrogen-bonded Turntrans-93.56.1-179-54.9-60.8148.100112.1D127 S154 V159D127-E157 HydrophobicContact CB-CG 3.65Å; S154-E157 PolarHBondContact OG-N 2.97Å; S154-E157 VanDerWaalsContact OG-N 3.08Å; E157-V159 HydrophobicContact CB-CG2 3.88Å; E157-V159 PolarHBondContact O-N 3.19Å
158A94.6Very high97.1Very high44 Ų4438.4 Ų38.436%0.36421%0.208SC..THydrogen-bonded Turntrans52.232.4-17400000114.1S154 K156S154-A158 CarbonylContact O-C 3.54Å; S154-A158 WeakPolarHBondContact O-CA 3.46Å; S154-A158 PolarHBondContact O-N 3.35Å; K156-A158 VanDerWaalsContact C-N 3.32Å
159V97Very high97.1Very high73 Ų7337.9 Ų37.944%0.44221%0.205SC..BIsolated β-bridgetrans-91.6129-178.3177.10000110.3I126 T153 S154 E157 I161I126-V159 HydrophobicContact CD1-CG1 4.15Å; T153-V159 CarbonylContact C-O 3.59Å; T153-V159 WeakPolarHBondContact CA-O 3.21Å; S154-V159 PolarHBondContact N-O 2.87Å; S154-V159 PolarHBondContact O-N 2.98Å; E157-V159 HydrophobicContact CB-CG2 3.88Å; E157-V159 PolarHBondContact O-N 3.19Å; V159-I161 PolarHBondContact O-N 3.07Å; V159-I161 VanDerWaalsContact O-N 3.17Å
160G96.8Very high97Very high25 Ų2540.5 Ų40.526%0.25821%0.213SC..SBendtrans71.34173.100000114.9D162 V163 P164G160-D162 PolarHBondContact O-N 3.05Å; G160-V163 PolarHBondContact O-N 2.98Å; G160-P164 WeakPolarHBondContact O-CD 3.48Å
161I96.3Very high96.9Very high7 Ų740.9 Ų40.94%0.03622%0.216CC..THydrogen-bonded Turntrans-65.2-38.7-167.2-69.8-68.9000113.5I22 F26 T153 A155 V159 F165I22-I161 HydrophobicContact CB-CD1 4.5Å; I22-I161 HydrophobicContact CG1-CD1 4.12Å; I22-I161 HydrophobicContact CG2-CD1 4.34Å; F26-I161 VanDerWaalsContact CA-CG2 3.46Å; F26-I161 HydrophobicContact CB-CG2 3.58Å; F26-I161 HydrophobicContact CD2-CG2 4.3Å; F26-I161 HydrophobicContact CG-CG2 4.43Å; T153-I161 HydrophobicContact CG2-CD1 4.34Å; A155-I161 HydrophobicContact CB-CD1 4.04Å; V159-I161 PolarHBondContact O-N 3.07Å; V159-I161 VanDerWaalsContact O-N 3.17Å; I161-F165 VanDerWaalsContact O-CD2 3.22Å; I161-F165 WeakPolarHBondContact O-CD2 3.17Å; I161-F165 WeakPolarHBondContact O-CE2 3.17Å
162D95.3Very high96.8Very high73 Ų7341 Ų4139%0.3922%0.216SC..Hα-helixtrans-78.5-23-177.8-60.6-46.3000113F26 G160 F165 L166F26-D162 VanDerWaalsContact CD2-OD1 3.22Å; F26-D162 WeakPolarHBondContact CD2-OD1 3.45Å; F26-D162 WeakPolarHBondContact CE2-OD1 3.5Å; G160-D162 PolarHBondContact O-N 3.05Å; D162-F165 PolarHBondContact O-N 3.41Å; D162-L166 HydrophobicContact CB-CD1 4.11Å; D162-L166 WeakPolarHBondContact O-CB 3.36Å; D162-L166 WeakPolarHBondContact O-CG 3.38Å; D162-L166 PolarHBondContact O-N 3.34Å
163V97.2Very high96.7Very high71 Ų7139.8 Ų39.843%0.4321%0.209SC..Hα-helixtrans-62.5-46.6-168.8-173.50000112.7F151 G160 F165 L166 H167F151-V163 HydrophobicContact CD1-CB 4.44Å; F151-V163 HydrophobicContact CD1-CG1 3.74Å; F151-V163 HydrophobicContact CE1-CG1 3.6Å; F151-V163 HydrophobicContact CZ-CG1 4.45Å; G160-V163 PolarHBondContact O-N 2.98Å; V163-F165 VanDerWaalsContact C-N 3.34Å; V163-F165 PolarHBondContact O-N 3.08Å; V163-L166 PolarHBondContact O-N 2.62Å; V163-H167 PolarHBondContact O-N 3.39Å
164P98.4Very high96.6Very high2 Ų245.1 Ų45.11%0.01323%0.234CC..Hα-helixtrans-60.8-42.3177.1-20.129.9000112.4V120 V122 F151 T153 G160 H167 L168V120-P164 HydrophobicContact CG2-CB 4.06Å; V122-P164 HydrophobicContact CG2-CB 3.96Å; V122-P164 HydrophobicContact CG2-CG 3.85Å; F151-P164 HydrophobicContact CB-CG 3.78Å; F151-P164 HydrophobicContact CD2-CB 3.85Å; F151-P164 HydrophobicContact CD2-CG 3.96Å; F151-P164 HydrophobicContact CE2-CB 4.39Å; F151-P164 HydrophobicContact CG-CB 4.34Å; F151-P164 HydrophobicContact CG-CG 3.94Å; T153-P164 HydrophobicContact CG2-CG 4.17Å; G160-P164 WeakPolarHBondContact O-CD 3.48Å; P164-H167 PolarHBondContact O-N 3.08Å; P164-L168 VanDerWaalsContact O-CG 3.32Å; P164-L168 WeakPolarHBondContact O-CG 3.41Å; P164-L168 PolarHBondContact O-N 2.82Å
165F97.8Very high96.4Very high1 Ų147 Ų470%0.00424%0.243CC..Hα-helixtrans-70.2-40.9-179.1-60-78.4000111.6I11 I22 F26 M50 L63 V87 I161 D162 V163 H167 L168 I169I11-F165 HydrophobicContact CD1-CE1 3.97Å; I11-F165 HydrophobicContact CD1-CZ 4.36Å; I22-F165 HydrophobicContact CG2-CE2 3.92Å; I22-F165 HydrophobicContact CG2-CZ 3.96Å; F26-F165 HydrophobicContact CB-CD2 4.37Å; F26-F165 HydrophobicContact CB-CE2 3.94Å; F26-F165 HydrophobicContact CD1-CD1 4.36Å; F26-F165 AromaticContact CD1-CD2 3.98Å; F26-F165 HydrophobicContact CD1-CD2 3.98Å; F26-F165 HydrophobicContact CD1-CE1 4.34Å; F26-F165 AromaticContact CD1-CE2 3.96Å; F26-F165 HydrophobicContact CD1-CE2 3.96Å; F26-F165 HydrophobicContact CD1-CG 4.19Å; F26-F165 HydrophobicContact CD1-CZ 4.15Å; F26-F165 AromaticContact CD2-CD2 3.53Å; F26-F165 HydrophobicContact CD2-CD2 3.53Å; F26-F165 AromaticContact CD2-CE2 3.98Å; F26-F165 HydrophobicContact CD2-CE2 3.98Å; F26-F165 HydrophobicContact CD2-CG 4.15Å; F26-F165 HydrophobicContact CE1-CB 4.31Å; F26-F165 HydrophobicContact CE1-CD1 4.08Å; F26-F165 HydrophobicContact CE1-CD2 4.12Å; F26-F165 HydrophobicContact CE1-CE1 4.45Å; F26-F165 AromaticContact CE1-CG 3.91Å; F26-F165 HydrophobicContact CE1-CG 3.91Å; F26-F165 HydrophobicContact CE2-CB 3.83Å; F26-F165 AromaticContact CE2-CD2 3.72Å; F26-F165 HydrophobicContact CE2-CD2 3.72Å; F26-F165 AromaticContact CE2-CG 3.89Å; F26-F165 HydrophobicContact CE2-CG 3.89Å; F26-F165 AromaticContact CG-CD2 3.68Å; F26-F165 HydrophobicContact CG-CD2 3.68Å; F26-F165 AromaticContact CG-CE2 3.68Å; F26-F165 HydrophobicContact CG-CE2 3.68Å; F26-F165 HydrophobicContact CG-CG 4.31Å; F26-F165 HydrophobicContact CG-CZ 4.29Å; F26-F165 HydrophobicContact CZ-CB 3.73Å; F26-F165 HydrophobicContact CZ-CD1 4.34Å; F26-F165 HydrophobicContact CZ-CD2 4.02Å; F26-F165 AromaticContact CZ-CG 3.77Å; F26-F165 HydrophobicContact CZ-CG 3.77Å; M50-F165 HydrophobicContact SD-CB 4Å; L63-F165 HydrophobicContact CD2-CD1 4.3Å; L63-F165 HydrophobicContact CD2-CE1 3.89Å; V87-F165 HydrophobicContact CG2-CE1 4.04Å; I161-F165 VanDerWaalsContact O-CD2 3.22Å; I161-F165 WeakPolarHBondContact O-CD2 3.17Å; I161-F165 WeakPolarHBondContact O-CE2 3.17Å; D162-F165 PolarHBondContact O-N 3.41Å; V163-F165 VanDerWaalsContact C-N 3.34Å; V163-F165 PolarHBondContact O-N 3.08Å; F165-H167 VanDerWaalsContact C-N 3.29Å; F165-H167 PolarHBondContact O-N 2.93Å; F165-L168 PolarHBondContact O-N 3.33Å; F165-I169 WeakPolarHBondContact O-CG1 3.31Å; F165-I169 WeakPolarHBondContact O-CG2 3.47Å; F165-I169 PolarHBondContact O-N 3.36Å
166L97.1Very high96.3Very high56 Ų5650 Ų5029%0.29325%0.254SS..Hα-helixtrans-59.9-39.6173.4-77.5169.1000112.1M50 P53 D162 V163 I169 K170M50-L166 HydrophobicContact CE-CB 4.46Å; M50-L166 HydrophobicContact CE-CD2 3.3Å; M50-L166 HydrophobicContact CE-CG 3.62Å; P53-L166 HydrophobicContact CG-CD2 4.09Å; D162-L166 HydrophobicContact CB-CD1 4.11Å; D162-L166 WeakPolarHBondContact O-CB 3.36Å; D162-L166 WeakPolarHBondContact O-CG 3.38Å; D162-L166 PolarHBondContact O-N 3.34Å; V163-L166 PolarHBondContact O-N 2.62Å; L166-I169 HydrophobicContact CD2-CD1 4.32Å; L166-I169 WeakPolarHBondContact O-CG1 3.44Å; L166-K170 WeakPolarHBondContact O-CG 3.42Å; L166-K170 PolarHBondContact O-N 3.47Å
167H98Very high96.3Very high70 Ų7046.9 Ų46.932%0.32424%0.243SC..Hα-helixtrans-64.1-51.3175.3-174.592.8000111.1P149 F151 V163 P164 F165 I169 K170 E171P149-H167 WeakPolarHBondContact CG-NE2 3.25Å; F151-H167 HydrophobicContact CE2-CB 4.04Å; F151-H167 HydrophobicContact CZ-CB 3.74Å; F151-H167 AromaticContact CZ-CG 3.77Å; F151-H167 AromaticContact CZ-ND1 3.93Å; V163-H167 PolarHBondContact O-N 3.39Å; P164-H167 PolarHBondContact O-N 3.08Å; F165-H167 VanDerWaalsContact C-N 3.29Å; F165-H167 PolarHBondContact O-N 2.93Å; H167-I169 PolarHBondContact O-N 3.13Å; H167-K170 PolarHBondContact O-N 3.34Å; H167-E171 PolarHBondContact O-N 3.17Å; H167-E171 VanDerWaalsContact O-N 3.09Å
168L98.1Very high96.3Very high1 Ų146.6 Ų46.61%0.00525%0.245CC..Hα-helixtrans-57-46.2-179.6-76.7174.5000112.9L85 V87 P118 V120 P164 F165 K170 E171 Y172L85-L168 HydrophobicContact CB-CD1 4.44Å; L85-L168 HydrophobicContact CD1-CB 4.27Å; L85-L168 HydrophobicContact CD2-CB 3.9Å; L85-L168 HydrophobicContact CD2-CD2 4.13Å; V87-L168 HydrophobicContact CG2-CD1 3.5Å; V87-L168 VanDerWaalsContact CG2-CD1 3.5Å; P118-L168 HydrophobicContact CB-CD2 3.65Å; P118-L168 WeakPolarHBondContact O-CD2 3.5Å; V120-L168 HydrophobicContact CB-CD2 4.49Å; V120-L168 HydrophobicContact CG1-CD2 3.75Å; V120-L168 HydrophobicContact CG1-CG 3.92Å; V120-L168 HydrophobicContact CG2-CD1 3.82Å; V120-L168 HydrophobicContact CG2-CD2 4.18Å; V120-L168 HydrophobicContact CG2-CG 4.02Å; P164-L168 VanDerWaalsContact O-CG 3.32Å; P164-L168 WeakPolarHBondContact O-CG 3.41Å; P164-L168 PolarHBondContact O-N 2.82Å; F165-L168 PolarHBondContact O-N 3.33Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 2.88Å; L168-E171 PolarHBondContact O-N 2.78Å; L168-Y172 WeakPolarHBondContact O-CB 3.23Å; L168-Y172 PolarHBondContact O-N 2.98Å
169I96.9Very high96.1Very high0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-67.5-31.7-178.566.2167.3000112.6M50 I52 I59 L61 F165 L166 H167 Y173M50-I169 HydrophobicContact CB-CD1 3.67Å; M50-I169 HydrophobicContact CE-CD1 3.67Å; M50-I169 HydrophobicContact CE-CG1 4.49Å; M50-I169 HydrophobicContact CG-CD1 4.47Å; M50-I169 HydrophobicContact SD-CD1 3.94Å; M50-I169 HydrophobicContact SD-CG2 4.1Å; I52-I169 HydrophobicContact CG1-CD1 4.37Å; I59-I169 HydrophobicContact CB-CG2 4.33Å; I59-I169 HydrophobicContact CD1-CB 3.65Å; I59-I169 HydrophobicContact CD1-CG2 4.21Å; I59-I169 VanDerWaalsContact CD1-O 3.25Å; I59-I169 WeakPolarHBondContact CD1-O 3.29Å; I59-I169 HydrophobicContact CG2-CG2 4.19Å; L61-I169 HydrophobicContact CD1-CG2 3.78Å; L61-I169 HydrophobicContact CD2-CG2 3.94Å; L61-I169 HydrophobicContact CG-CG2 4.04Å; F165-I169 WeakPolarHBondContact O-CG1 3.31Å; F165-I169 WeakPolarHBondContact O-CG2 3.47Å; F165-I169 PolarHBondContact O-N 3.36Å; L166-I169 HydrophobicContact CD2-CD1 4.32Å; L166-I169 WeakPolarHBondContact O-CG1 3.44Å; H167-I169 PolarHBondContact O-N 3.13Å; I169-Y173 WeakPolarHBondContact O-CB 3.4Å; I169-Y173 PolarHBondContact O-N 2.87Å
170K96.7Very high95.9Very high89 Ų8945 Ų4539%0.38724%0.236SC..Hα-helixtrans-68.3-49.9176.5-76.3178.4177.7-171.60110.5I52 L166 H167 L168 Y172 Y173 E174I52-K170 HydrophobicContact CG2-CG 4.48Å; L166-K170 WeakPolarHBondContact O-CG 3.42Å; L166-K170 PolarHBondContact O-N 3.47Å; H167-K170 PolarHBondContact O-N 3.34Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 2.88Å; K170-Y172 VanDerWaalsContact C-N 3.29Å; K170-Y172 PolarHBondContact O-N 3.46Å; K170-Y173 PolarHBondContact O-N 3.3Å; K170-E174 WeakPolarHBondContact O-CG 3.15Å; K170-E174 PolarHBondContact O-N 2.83Å
171E96.9Very high95.7Very high29 Ų2947.9 Ų47.914%0.13625%0.245CC..Hα-helixtrans-61.7-39.8178.3-166.8-177.917800111.2R116 P118 H167 L168 Y173 E174 L175R116-E171 IonicContact CZ-OE1 3.29Å; R116-E171 IonicContact NE-OE1 3.48Å; R116-E171 PolarHBondContact NE-OE1 2.95Å; R116-E171 IonicContact NH2-OE1 2.63Å; R116-E171 PolarHBondContact NH2-OE1 2.89Å; P118-E171 HydrophobicContact CB-CB 4.11Å; P118-E171 HydrophobicContact CB-CG 4.21Å; P118-E171 WeakPolarHBondContact CB-OE2 3.47Å; P118-E171 HydrophobicContact CG-CB 3.93Å; P118-E171 HydrophobicContact CG-CG 3.82Å; H167-E171 PolarHBondContact O-N 3.17Å; H167-E171 VanDerWaalsContact O-N 3.09Å; L168-E171 PolarHBondContact O-N 2.78Å; E171-Y173 PolarHBondContact O-N 3.09Å; E171-E174 PolarHBondContact O-N 3.49Å; E171-L175 WeakPolarHBondContact O-CG 3.36Å; E171-L175 PolarHBondContact O-N 3.17Å
172Y96.6Very high95.5Very high41 Ų4154.4 Ų54.416%0.16127%0.27CS..Hα-helixtrans-63.9-40.6175.7-179.4-110.8000113.1R6 A7 I59 N84 L85 L168 K170 L175 Y176R6-Y172 PolarHBondContact O-OH 3.26Å; A7-Y172 HydrophobicContact CB-CD1 3.9Å; A7-Y172 HydrophobicContact CB-CE1 3.62Å; I59-Y172 HydrophobicContact CD1-CD1 3.88Å; I59-Y172 HydrophobicContact CG1-CD1 4.47Å; N84-Y172 HydrophobicContact CB-CD2 4.22Å; N84-Y172 HydrophobicContact CB-CE2 3.72Å; L85-Y172 HydrophobicContact CD2-CD2 4.48Å; L85-Y172 HydrophobicContact CD2-CG 4.29Å; L168-Y172 WeakPolarHBondContact O-CB 3.23Å; L168-Y172 PolarHBondContact O-N 2.98Å; K170-Y172 VanDerWaalsContact C-N 3.29Å; K170-Y172 PolarHBondContact O-N 3.46Å; Y172-L175 PolarHBondContact O-N 2.9Å; Y172-Y176 WeakPolarHBondContact O-CB 3.38Å; Y172-Y176 PolarHBondContact O-N 3.37Å
173Y96.1Very high95.2Very high32 Ų3258.3 Ų58.313%0.12528%0.28CS..Hα-helixtrans-64.6-40.1176.2-175.4-109.5000112.2L5 I52 V55 D57 I169 K170 E171 Y176 N177L5-Y173 HydrophobicContact CD1-CD2 3.65Å; L5-Y173 HydrophobicContact CD1-CE2 4.16Å; I52-Y173 HydrophobicContact CD1-CD1 4.27Å; I52-Y173 HydrophobicContact CD1-CD2 3.3Å; I52-Y173 HydrophobicContact CD1-CE2 3.82Å; I52-Y173 HydrophobicContact CD1-CG 3.55Å; I52-Y173 HydrophobicContact CG2-CD1 4.22Å; I52-Y173 HydrophobicContact CG2-CG 4.36Å; V55-Y173 HydrophobicContact CB-CE1 4.42Å; V55-Y173 HydrophobicContact CG1-CE1 4.09Å; V55-Y173 HydrophobicContact CG2-CE1 3.91Å; D57-Y173 HydrophobicContact CB-CE2 3.9Å; D57-Y173 VanDerWaalsContact OD2-CE2 3.3Å; D57-Y173 WeakPolarHBondContact OD2-CE2 2.79Å; D57-Y173 VanDerWaalsContact OD2-CZ 3.3Å; D57-Y173 PolarHBondContact OD2-OH 3.45Å; I169-Y173 WeakPolarHBondContact O-CB 3.4Å; I169-Y173 PolarHBondContact O-N 2.87Å; K170-Y173 PolarHBondContact O-N 3.3Å; E171-Y173 PolarHBondContact O-N 3.09Å; Y173-Y176 PolarHBondContact O-N 3.42Å; Y173-N177 WeakPolarHBondContact CD1-ND2 3.43Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.39Å; Y173-N177 VanDerWaalsContact CZ-ND2 3.26Å; Y173-N177 PolarHBondContact O-N 3.33Å; Y173-N177 PolarHBondContact O-ND2 3.39Å
174E95.4Very high94.8Very high113 Ų11360.7 Ų60.753%0.52829%0.287SS..Hα-helixtrans-60.3-48.8173.7-71.2169.1-17200111.1K170 E171 Y176 N177 D178K170-E174 WeakPolarHBondContact O-CG 3.15Å; K170-E174 PolarHBondContact O-N 2.83Å; E171-E174 PolarHBondContact O-N 3.49Å; E174-Y176 VanDerWaalsContact C-N 3.32Å; E174-Y176 PolarHBondContact O-N 3.45Å; E174-N177 PolarHBondContact O-N 3.16Å; E174-D178 PolarHBondContact O-N 3.46Å
175L94.7Very high94.4Very high40 Ų4065.7 Ų65.721%0.20932%0.317CS..Hα-helixtrans-61.1-39177.1-69.4173.1000112.9R116 P118 E171 Y172 A179R116-L175 HydrophobicContact CG-CD1 4.36Å; R116-L175 HydrophobicContact CG-CD2 4.38Å; P118-L175 HydrophobicContact CG-CD1 3.74Å; E171-L175 WeakPolarHBondContact O-CG 3.36Å; E171-L175 PolarHBondContact O-N 3.17Å; Y172-L175 PolarHBondContact O-N 2.9Å; L175-A179 PolarHBondContact O-N 3.04Å; L175-A179 VanDerWaalsContact O-N 3.09Å
176Y93.9Very high93.9Very high65 Ų6571 Ų7126%0.25535%0.345SS..Hα-helixtrans-61.6-48.4174.8170.8-99.9000111.2E3 L5 Y172 Y173 E174 D178 A179 V180E3-Y176 PolarHBondContact OE1-OH 3.38Å; E3-Y176 PolarHBondContact OE2-OH 3.17Å; L5-Y176 HydrophobicContact CD1-CD1 3.66Å; L5-Y176 HydrophobicContact CD1-CD2 4.39Å; L5-Y176 HydrophobicContact CD1-CE1 4.08Å; L5-Y176 HydrophobicContact CD1-CG 3.82Å; L5-Y176 HydrophobicContact CD2-CD1 4.08Å; L5-Y176 HydrophobicContact CD2-CD2 4.1Å; L5-Y176 HydrophobicContact CD2-CE1 3.7Å; L5-Y176 HydrophobicContact CD2-CE2 3.74Å; L5-Y176 HydrophobicContact CD2-CG 4.25Å; L5-Y176 HydrophobicContact CG-CE1 4.47Å; Y172-Y176 WeakPolarHBondContact O-CB 3.38Å; Y172-Y176 PolarHBondContact O-N 3.37Å; Y173-Y176 PolarHBondContact O-N 3.42Å; E174-Y176 VanDerWaalsContact C-N 3.32Å; E174-Y176 PolarHBondContact O-N 3.45Å; Y176-D178 PolarHBondContact O-N 3.5Å; Y176-A179 WeakPolarHBondContact O-CB 3.3Å; Y176-A179 PolarHBondContact O-N 3.2Å; Y176-V180 HydrophobicContact CD1-CG2 4.24Å; Y176-V180 HydrophobicContact CD2-CG2 4.28Å; Y176-V180 HydrophobicContact CE1-CG2 3.82Å; Y176-V180 HydrophobicContact CE2-CG2 3.85Å; Y176-V180 HydrophobicContact CG-CG2 4.48Å; Y176-V180 WeakPolarHBondContact O-CG2 3.24Å; Y176-V180 PolarHBondContact O-N 2.79Å
177N93.9Very high92.8Very high45 Ų4577.9 Ų77.924%0.24138%0.38CS..Hα-helixtrans-64.9-39.9179.8-74.9-37.4000112.2Y173 E174 A179 V180 N181Y173-N177 WeakPolarHBondContact CD1-ND2 3.43Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.39Å; Y173-N177 VanDerWaalsContact CZ-ND2 3.26Å; Y173-N177 PolarHBondContact O-N 3.33Å; Y173-N177 PolarHBondContact O-ND2 3.39Å; E174-N177 PolarHBondContact O-N 3.16Å; N177-A179 VanDerWaalsContact C-N 3.3Å; N177-A179 PolarHBondContact O-N 2.76Å; N177-V180 PolarHBondContact O-N 3.08Å; N177-N181 VanDerWaalsContact O-CB 3.29Å; N177-N181 WeakPolarHBondContact O-CB 3.44Å; N177-N181 PolarHBondContact O-N 3.47Å; N177-N181 PolarHBondContact O-ND2 2.82Å; N177-N181 VanDerWaalsContact O-ND2 3.11Å
178D93.9Very high92.5Very high101 Ų10178.3 Ų78.354%0.5438%0.383SS..Hα-helixtrans-58.7-43.9174.5-75.7-13.5000111.2E174 Y176 Y182E174-D178 PolarHBondContact O-N 3.46Å; Y176-D178 PolarHBondContact O-N 3.5Å; D178-Y182 WeakPolarHBondContact O-CB 2.99Å; D178-Y182 PolarHBondContact O-N 3.41Å
179A92.1Very high92.2Very high43 Ų4382.4 Ų82.436%0.35540%0.403SS..Hα-helixtrans-63.9-48.2175.900000111.7L175 Y176 N177 N181 Y182 Y183L175-A179 PolarHBondContact O-N 3.04Å; L175-A179 VanDerWaalsContact O-N 3.09Å; Y176-A179 WeakPolarHBondContact O-CB 3.3Å; Y176-A179 PolarHBondContact O-N 3.2Å; N177-A179 VanDerWaalsContact C-N 3.3Å; N177-A179 PolarHBondContact O-N 2.76Å; A179-N181 PolarHBondContact O-N 3.19Å; A179-Y182 PolarHBondContact O-N 3.13Å; A179-Y183 WeakPolarHBondContact O-CD2 3.3Å; A179-Y183 PolarHBondContact O-N 2.89Å
180V91.7Very high92Very high42 Ų4286.9 Ų86.926%0.25543%0.425SS..Hα-helixtrans-58.3-48178.1170.20000111.1Y176 N177 Y182 Y183 Q184Y176-V180 HydrophobicContact CD1-CG2 4.24Å; Y176-V180 HydrophobicContact CD2-CG2 4.28Å; Y176-V180 HydrophobicContact CE1-CG2 3.82Å; Y176-V180 HydrophobicContact CE2-CG2 3.85Å; Y176-V180 HydrophobicContact CG-CG2 4.48Å; Y176-V180 WeakPolarHBondContact O-CG2 3.24Å; Y176-V180 PolarHBondContact O-N 2.79Å; N177-V180 PolarHBondContact O-N 3.08Å; V180-Y182 PolarHBondContact O-N 2.84Å; V180-Y183 PolarHBondContact O-N 2.93Å; V180-Q184 WeakPolarHBondContact O-CG 3.45Å; V180-Q184 PolarHBondContact O-N 3.12Å
181N93Very high91.7Very high85 Ų8586.8 Ų86.846%0.45543%0.428SS..Hα-helixtrans-61.2-44.7178.8-71.5-29.1000111.1N177 A179 Y183 Q184 T185N177-N181 VanDerWaalsContact O-CB 3.29Å; N177-N181 WeakPolarHBondContact O-CB 3.44Å; N177-N181 PolarHBondContact O-N 3.47Å; N177-N181 PolarHBondContact O-ND2 2.82Å; N177-N181 VanDerWaalsContact O-ND2 3.11Å; A179-N181 PolarHBondContact O-N 3.19Å; N181-Y183 PolarHBondContact O-N 2.65Å; N181-Q184 PolarHBondContact O-N 3.26Å; N181-T185 WeakPolarHBondContact O-CG2 3.36Å; N181-T185 PolarHBondContact O-N 3.44Å
182Y92Very high91.4Very high143 Ų14390.4 Ų90.456%0.56145%0.446SS*.Hα-helixtrans-57.5-48176177.4-100.1000111.8D178 A179 V180 Q184 T185 L186D178-Y182 WeakPolarHBondContact O-CB 2.99Å; D178-Y182 PolarHBondContact O-N 3.41Å; A179-Y182 PolarHBondContact O-N 3.13Å; V180-Y182 PolarHBondContact O-N 2.84Å; Y182-Q184 VanDerWaalsContact C-N 3.3Å; Y182-Q184 PolarHBondContact O-N 3.31Å; Y182-T185 PolarHBondContact O-N 3.26Å; Y182-T185 VanDerWaalsContact O-N 3.1Å; Y182-T185 PolarHBondContact O-OG1 3.14Å; Y182-L186 HydrophobicContact CD1-CD1 4.23Å; Y182-L186 HydrophobicContact CE1-CD1 3.66Å; Y182-L186 HydrophobicContact CE1-CG 4.49Å
183Y89.7Confident91Very high156 Ų15693.7 Ų93.761%0.61247%0.465SS*.Hα-helixtrans-61.9-36.7177.3-77.4-67.2000112.9A179 V180 N181 T185 L186A179-Y183 WeakPolarHBondContact O-CD2 3.3Å; A179-Y183 PolarHBondContact O-N 2.89Å; V180-Y183 PolarHBondContact O-N 2.93Å; N181-Y183 PolarHBondContact O-N 2.65Å; Y183-T185 PolarHBondContact O-N 3.26Å; Y183-L186 HydrophobicContact CD1-CD1 4.48Å; Y183-L186 PolarHBondContact O-N 2.64Å
184Q88.8Confident90.7Very high121 Ų12198.1 Ų98.157%0.56549%0.489SS*.Hα-helixtrans-64.8-27.7176-72.5175.8-400113V180 N181 Y182 L186V180-Q184 WeakPolarHBondContact O-CG 3.45Å; V180-Q184 PolarHBondContact O-N 3.12Å; N181-Q184 PolarHBondContact O-N 3.26Å; Y182-Q184 VanDerWaalsContact C-N 3.3Å; Y182-Q184 PolarHBondContact O-N 3.31Å; Q184-L186 VanDerWaalsContact C-N 3.27Å; Q184-L186 PolarHBondContact O-N 3.43Å
185T89.8Confident90.3Very high106 Ų10697 Ų9765%0.6549%0.486SS*.Hα-helixtrans-74.7-14.5175.668.60000114.4N181 Y182 Y183N181-T185 WeakPolarHBondContact O-CG2 3.36Å; N181-T185 PolarHBondContact O-N 3.44Å; Y182-T185 PolarHBondContact O-N 3.26Å; Y182-T185 VanDerWaalsContact O-N 3.1Å; Y182-T185 PolarHBondContact O-OG1 3.14Å; Y183-T185 PolarHBondContact O-N 3.26Å
186L87.2Confident89.9Confident112 Ų112101.8 Ų101.859%0.58651%0.509SS*.THydrogen-bonded Turntrans-91.4-4.4-179.4-65.4175.1000113.5Y182 Y183 Q184Y182-L186 HydrophobicContact CD1-CD1 4.23Å; Y182-L186 HydrophobicContact CE1-CD1 3.66Å; Y182-L186 HydrophobicContact CE1-CG 4.49Å; Y183-L186 HydrophobicContact CD1-CD1 4.48Å; Y183-L186 PolarHBondContact O-N 2.64Å; Q184-L186 VanDerWaalsContact C-N 3.27Å; Q184-L186 PolarHBondContact O-N 3.43Å
187I73.1Confident89.6Confident202 Ų202105.1 Ų105.1100%1.03653%0.532SS*.  trans-106.40-179-49.6169.4000108.7

Retrieved 187 of 187 residues in 198.6 ms (Link to these results)

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