G4VIW9_SCHMA Loading...

Putative universal stress protein

AlphaFold DB , UniProt , Accession G4VIW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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
1M38.3Very low70.1Confident238 Ų23896.6 Ų96.6100%1.17257%0.571SS**  0135.50-63.3168.177.900106.1E3M1-E3 PolarHBondContact O-N 3.42Å
2A48Very low72.5Confident106 Ų10688.6 Ų88.688%0.87652%0.523SS*.  trans-73115.1177.700000108.5S4A2-S4 PolarHBondContact O-N 3.27Å
3E52.6Low74.5Confident187 Ų18781.8 Ų81.887%0.87448%0.483SS*.  trans-61.1130.9167.7-67.4178.6167.600107.8M1 S5M1-E3 PolarHBondContact O-N 3.42Å; E3-S5 PolarHBondContact O-N 3.2Å
4S54.9Low76.2Confident105 Ų10577.1 Ų77.173%0.73446%0.457SS*.  trans-60.9121.2-179.750.40000109.5A2 D6A2-S4 PolarHBondContact O-N 3.27Å; S4-D6 PolarHBondContact O-N 3.29Å; S4-D6 VanDerWaalsContact O-N 3.15Å
5S65Low77.6Confident128 Ų12872.3 Ų72.390%0.89543%0.428SS*.SBendtrans-72.6-1.8-176.452.50000114.8E3E3-S5 PolarHBondContact O-N 3.2Å
6D67.1Low78.8Confident129 Ų12970.4 Ų70.469%0.6942%0.415SS*.SBendtrans-77.2125173.2-161.630.8000109.2S4 S8S4-D6 PolarHBondContact O-N 3.29Å; S4-D6 VanDerWaalsContact O-N 3.15Å; D6-S8 PolarHBondContact O-N 3.13Å
7P66.9Low79.6Confident41 Ų4168.2 Ų68.227%0.26641%0.411SS..  trans-60.8129179.624.6-35000111R9 V10 C38P7-R9 PolarHBondContact O-N 3.17Å; P7-V10 HydrophobicContact CG-CG2 4.43Å; P7-C38 HydrophobicContact CB-CB 3.48Å; P7-C38 VanDerWaalsContact CB-CB 3.48Å; P7-C38 HydrophobicContact CG-CB 3.74Å
8S86.1Confident80.5Confident75 Ų7564.9 Ų64.952%0.52439%0.391SS..SBendtrans-57.9-22-178.165.50000114.4D6 T36D6-S8 PolarHBondContact O-N 3.13Å; S8-T36 PolarHBondContact N-O 2.79Å; S8-T36 VanDerWaalsContact N-O 3.17Å; S8-T36 WeakPolarHBondContact OG-CB 3.48Å; S8-T36 PolarHBondContact OG-O 2.76Å; S8-T36 PolarHBondContact OG-OG1 3.45Å
9R95.4Very high81.2Confident34 Ų3468.3 Ų68.313%0.12841%0.407CS..EExtended strand (participates in β ladder)trans-161.1131.6-176.5-172.3172.358.8161.47.5110.5P7 I11 M32 D37 C38 N119P7-R9 PolarHBondContact O-N 3.17Å; R9-I11 HydrophobicContact CG-CD1 3.8Å; R9-M32 VanDerWaalsContact NH1-CE 3.34Å; R9-M32 PolarHBondContact NH2-O 2.85Å; R9-D37 IonicContact CZ-OD1 3.65Å; R9-D37 VanDerWaalsContact CZ-OD1 3.23Å; R9-D37 IonicContact CZ-OD2 3.23Å; R9-D37 IonicContact NE-OD1 2.73Å; R9-D37 PolarHBondContact NE-OD1 2.9Å; R9-D37 IonicContact NH2-OD1 2.63Å; R9-D37 PolarHBondContact NH2-OD1 3.03Å; R9-D37 IonicContact NH2-OD2 2.87Å; R9-D37 PolarHBondContact NH2-OD2 3.38Å; R9-D37 WeakPolarHBondContact O-CA 3.33Å; R9-C38 PolarHBondContact O-N 3.27Å; R9-N119 WeakPolarHBondContact CA-OD1 3.33Å; R9-N119 HydrophobicContact CG-CB 3.92Å
10V98.2Very high81.8Confident20 Ų2066.9 Ų66.912%0.12140%0.396CS..EExtended strand (participates in β ladder)trans-98124.6171-179.80000109.6P7 C38 N119 V120P7-V10 HydrophobicContact CG-CG2 4.43Å; V10-C38 CarbonylContact C-O 3.59Å; V10-C38 WeakPolarHBondContact CA-O 3.2Å; V10-N119 PolarHBondContact N-OD1 2.93Å; V10-N119 PolarHBondContact O-N 3.23Å; V10-V120 PolarHBondContact O-N 3.46Å
11I98.5Very high82.5Confident0 Ų063.9 Ų63.90%038%0.378CS..EExtended strand (participates in β ladder)trans-107.6112.7176.6-53.4-59.7000108.4R9 I13 Y28 M32 D37 C38 I39 T40 V120 L122R9-I11 HydrophobicContact CG-CD1 3.8Å; I11-I13 HydrophobicContact CG2-CD1 4.25Å; I11-I13 HydrophobicContact CG2-CG1 3.95Å; I11-Y28 HydrophobicContact CG1-CE2 4.04Å; I11-Y28 HydrophobicContact CG2-CD2 4.38Å; I11-Y28 HydrophobicContact CG2-CE2 4.45Å; I11-M32 HydrophobicContact CD1-CE 3.58Å; I11-D37 HydrophobicContact CG1-CB 4.39Å; I11-C38 PolarHBondContact N-O 3.1Å; I11-I39 HydrophobicContact CB-CD1 3.88Å; I11-I39 HydrophobicContact CG1-CD1 4.25Å; I11-I39 HydrophobicContact CG2-CD1 4.37Å; I11-I39 CarbonylContact O-C 3.52Å; I11-I39 WeakPolarHBondContact O-CA 3.42Å; I11-T40 PolarHBondContact O-N 2.71Å; I11-V120 HydrophobicContact CD1-CB 4.02Å; I11-V120 HydrophobicContact CD1-CG2 4.39Å; I11-L122 HydrophobicContact CG2-CB 4.35Å
12L98.8Very high85.2Confident0 Ų054 Ų540%033%0.33CS..EExtended strand (participates in β ladder)trans-87.5127.5175-162.3158.6000109.4P14 T40 V42 L109 A112 I113 A118 V120 I121 L122L12-P14 HydrophobicContact CD2-CG 4Å; L12-T40 CarbonylContact C-O 3.48Å; L12-T40 WeakPolarHBondContact CA-O 3.47Å; L12-T40 HydrophobicContact CG-CG2 4.37Å; L12-V42 HydrophobicContact CD1-CG2 4.13Å; L12-V42 HydrophobicContact CD2-CB 4.24Å; L12-V42 HydrophobicContact CD2-CG2 3.9Å; L12-V42 HydrophobicContact CG-CG2 3.95Å; L12-L109 HydrophobicContact CD2-CD2 4.37Å; L12-A112 HydrophobicContact CD1-CB 3.97Å; L12-I113 HydrophobicContact CD1-CG1 4.19Å; L12-A118 HydrophobicContact CB-CB 3.71Å; L12-A118 HydrophobicContact CD1-CB 4.13Å; L12-V120 PolarHBondContact N-O 3.46Å; L12-I121 HydrophobicContact CB-CB 4.5Å; L12-I121 HydrophobicContact CB-CG1 4.42Å; L12-I121 HydrophobicContact CD2-CD1 3.84Å; L12-I121 HydrophobicContact CD2-CG1 4.08Å; L12-I121 WeakPolarHBondContact O-CA 3.28Å; L12-L122 PolarHBondContact O-N 3.33Å
13I98.7Very high87.5Confident0 Ų050.6 Ų50.60%030%0.295CS..EExtended strand (participates in β ladder)trans-123.2106.2178-54.1-175.9000108.6I11 I15 F25 I39 T40 F41 V42 L122I11-I13 HydrophobicContact CG2-CD1 4.25Å; I11-I13 HydrophobicContact CG2-CG1 3.95Å; I13-I15 HydrophobicContact CG2-CG2 4.26Å; I13-I15 PolarHBondContact O-N 2.72Å; I13-F25 HydrophobicContact CD1-CD2 3.61Å; I13-F25 HydrophobicContact CD1-CE2 4.16Å; I13-I39 HydrophobicContact CD1-CG2 3.71Å; I13-I39 HydrophobicContact CG1-CG2 4.05Å; I13-T40 PolarHBondContact N-O 3.45Å; I13-F41 HydrophobicContact CB-CD1 3.82Å; I13-F41 HydrophobicContact CB-CE1 4.08Å; I13-F41 HydrophobicContact CD1-CE1 3.95Å; I13-F41 HydrophobicContact CG1-CE1 4.5Å; I13-F41 HydrophobicContact CG2-CD1 4.14Å; I13-F41 HydrophobicContact CG2-CE1 4.23Å; I13-F41 VanDerWaalsContact O-CA 3.31Å; I13-F41 WeakPolarHBondContact O-CA 3.17Å; I13-V42 PolarHBondContact O-N 3.27Å; I13-L122 WeakPolarHBondContact CA-O 3.5Å; I13-L122 HydrophobicContact CD1-CD2 3.78Å; I13-L122 HydrophobicContact CG1-CB 4.35Å; I13-L122 HydrophobicContact CG1-CD2 4.05Å
14P98.4Very high89.7Confident17 Ų1741.7 Ų41.711%0.1125%0.253CS..EExtended strand (participates in β ladder)trans-63.7129.1169.9-20.935.5000109.9L12 C21 V42 L109 I121 L122 M123L12-P14 HydrophobicContact CD2-CG 4Å; P14-C21 PolarHBondContact O-SG 3Å; P14-V42 CarbonylContact C-O 3.56Å; P14-V42 WeakPolarHBondContact CA-O 3.35Å; P14-L109 HydrophobicContact CB-CD1 3.68Å; P14-L109 HydrophobicContact CB-CD2 3.87Å; P14-L109 HydrophobicContact CB-CG 4.44Å; P14-L109 HydrophobicContact CG-CD1 3.7Å; P14-L109 HydrophobicContact CG-CD2 3.87Å; P14-L109 HydrophobicContact CG-CG 4.37Å; P14-I121 HydrophobicContact CG-CD1 3.83Å; P14-I121 HydrophobicContact CG-CG1 4.09Å; P14-L122 WeakPolarHBondContact CD-O 3.3Å; P14-M123 HydrophobicContact CB-CE 4.5Å; P14-M123 HydrophobicContact CG-CB 4.12Å; P14-M123 HydrophobicContact CG-CE 4.15Å
15I98.1Very high91.7Very high4 Ų436.7 Ų36.72%0.02122%0.218CC..  trans-118.3129-177.353160.9000111I13 F41 V42 H43 L80 Y84I13-I15 HydrophobicContact CG2-CG2 4.26Å; I13-I15 PolarHBondContact O-N 2.72Å; I15-F41 HydrophobicContact CD1-CB 3.94Å; I15-F41 HydrophobicContact CG1-CB 4.25Å; I15-F41 HydrophobicContact CG2-CB 4.23Å; I15-F41 HydrophobicContact CG2-CD1 3.61Å; I15-F41 HydrophobicContact CG2-CE1 4.41Å; I15-F41 HydrophobicContact CG2-CG 4.31Å; I15-V42 PolarHBondContact N-O 3.33Å; I15-H43 HydrophobicContact CD1-CB 4.12Å; I15-H43 HydrophobicContact CG1-CB 3.89Å; I15-H43 WeakPolarHBondContact O-CA 3.39Å; I15-H43 PolarHBondContact O-ND1 2.95Å; I15-L80 HydrophobicContact CB-CD2 4.28Å; I15-L80 HydrophobicContact CD1-CD2 4.28Å; I15-L80 HydrophobicContact CD1-CG 4.16Å; I15-L80 HydrophobicContact CG1-CD2 4.38Å; I15-Y84 HydrophobicContact CB-CD2 3.85Å; I15-Y84 HydrophobicContact CB-CE2 3.61Å; I15-Y84 HydrophobicContact CD1-CD2 3.84Å; I15-Y84 HydrophobicContact CD1-CE2 4.35Å; I15-Y84 HydrophobicContact CG1-CD2 4.44Å; I15-Y84 HydrophobicContact CG2-CD2 3.46Å; I15-Y84 VanDerWaalsContact CG2-CD2 3.46Å; I15-Y84 HydrophobicContact CG2-CE2 3.46Å; I15-Y84 VanDerWaalsContact CG2-CE2 3.46Å; I15-Y84 HydrophobicContact CG2-CG 4.03Å
16D95.3Very high93.3Very high42 Ų4235.9 Ų35.923%0.22520%0.196CC..  trans-132.8-1.3179.977.3-25.6000113.9S18 C21 G127 L128D16-S18 VanDerWaalsContact C-N 3.29Å; D16-S18 PolarHBondContact O-N 2.75Å; D16-S18 VanDerWaalsContact OD1-CB 3.22Å; D16-S18 WeakPolarHBondContact OD1-CB 3.26Å; D16-S18 PolarHBondContact OD1-N 2.87Å; D16-S18 PolarHBondContact OD1-OG 2.79Å; D16-S18 PolarHBondContact OD2-OG 2.9Å; D16-C21 WeakPolarHBondContact OD1-CB 3.47Å; D16-G127 VanDerWaalsContact OD2-C 3.27Å; D16-G127 WeakPolarHBondContact OD2-CA 3.38Å; D16-L128 HydrophobicContact CB-CG 4.48Å; D16-L128 WeakPolarHBondContact O-CD1 3.1Å; D16-L128 PolarHBondContact OD2-N 2.86Å
17G93.6Very high94.8Very high34 Ų3434 Ų3435%0.35118%0.179SC..SBendtrans79.16.2-178.400000114.9
18S94.9Very high96.3Very high8 Ų832.1 Ų32.16%0.05617%0.166CC..SBendtrans-77.4153.6172.470.90000112.6D16 H20 C21 D22D16-S18 VanDerWaalsContact C-N 3.29Å; D16-S18 PolarHBondContact O-N 2.75Å; D16-S18 VanDerWaalsContact OD1-CB 3.22Å; D16-S18 WeakPolarHBondContact OD1-CB 3.26Å; D16-S18 PolarHBondContact OD1-N 2.87Å; D16-S18 PolarHBondContact OD1-OG 2.79Å; D16-S18 PolarHBondContact OD2-OG 2.9Å; S18-H20 PolarHBondContact O-N 2.9Å; S18-H20 VanDerWaalsContact O-N 3.07Å; S18-H20 PolarHBondContact OG-N 2.93Å; S18-C21 WeakPolarHBondContact O-CB 3.34Å; S18-C21 PolarHBondContact O-N 2.92Å; S18-C21 PolarHBondContact OG-N 2.9Å; S18-D22 PolarHBondContact O-N 2.87Å; S18-D22 VanDerWaalsContact O-N 3.12Å
19D93.6Very high96.8Very high129 Ų12929.7 Ų29.769%0.6915%0.147SC*.Hα-helixtrans-57.4-22.2169-61.6-24.3000112.6R23D19-R23 VanDerWaalsContact O-CB 3.23Å; D19-R23 WeakPolarHBondContact O-CB 3.46Å; D19-R23 PolarHBondContact O-N 3.24Å; D19-R23 PolarHBondContact O-NH1 3.17Å
20H94.5Very high96.9Very high40 Ų4034.4 Ų34.419%0.18517%0.171CC..Hα-helixtrans-71.7-35.1174.2-59.1-73.8000112.7S18 R23 A24 G124 R126S18-H20 PolarHBondContact O-N 2.9Å; S18-H20 VanDerWaalsContact O-N 3.07Å; S18-H20 PolarHBondContact OG-N 2.93Å; H20-R23 PolarHBondContact ND1-NH1 3.5Å; H20-R23 PolarHBondContact ND1-NH2 2.88Å; H20-A24 WeakPolarHBondContact O-CB 3.16Å; H20-A24 PolarHBondContact O-N 3.28Å; H20-A24 VanDerWaalsContact O-N 3.13Å; H20-G124 WeakPolarHBondContact O-CA 3.33Å; H20-R126 WeakPolarHBondContact CB-O 3.5Å
21C95.2Very high96.9Very high4 Ų438.3 Ų38.33%0.02719%0.191CC..Hα-helixtrans-70.8-48.2171.5-178.40000111.7P14 D16 S18 R23 A24 F25 Y84P14-C21 PolarHBondContact O-SG 3Å; D16-C21 WeakPolarHBondContact OD1-CB 3.47Å; S18-C21 WeakPolarHBondContact O-CB 3.34Å; S18-C21 PolarHBondContact O-N 2.92Å; S18-C21 PolarHBondContact OG-N 2.9Å; C21-R23 VanDerWaalsContact C-N 3.3Å; C21-R23 PolarHBondContact O-N 3.15Å; C21-A24 WeakPolarHBondContact O-CB 3.49Å; C21-A24 PolarHBondContact O-N 2.89Å; C21-F25 PolarHBondContact O-N 3.29Å; C21-Y84 PolarHBondContact SG-OH 3.43Å
22D96.7Very high96.8Very high31 Ų3139.8 Ų39.817%0.16620%0.199CC..Hα-helixtrans-56.9-42.9177.4-82.810.5000112S18 R26 K83 Y84S18-D22 PolarHBondContact O-N 2.87Å; S18-D22 VanDerWaalsContact O-N 3.12Å; D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 PolarHBondContact O-N 3.33Å; D22-K83 IonicContact OD1-NZ 3.38Å; D22-K83 PolarHBondContact OD1-NZ 2.88Å; D22-K83 IonicContact OD2-NZ 2.72Å; D22-K83 PolarHBondContact OD2-NZ 2.9Å; D22-Y84 VanDerWaalsContact OD1-CE1 3.27Å; D22-Y84 WeakPolarHBondContact OD1-CE1 3.27Å; D22-Y84 PolarHBondContact OD1-OH 2.97Å
23R95.7Very high96.7Very high34 Ų3442.7 Ų42.713%0.12821%0.211CC..Hα-helixtrans-67-37.4175.4-175.2-178.965.3-90.2-13.9112.5D19 H20 C21 R26 W27 V154 P155D19-R23 VanDerWaalsContact O-CB 3.23Å; D19-R23 WeakPolarHBondContact O-CB 3.46Å; D19-R23 PolarHBondContact O-N 3.24Å; D19-R23 PolarHBondContact O-NH1 3.17Å; H20-R23 PolarHBondContact ND1-NH1 3.5Å; H20-R23 PolarHBondContact ND1-NH2 2.88Å; C21-R23 VanDerWaalsContact C-N 3.3Å; C21-R23 PolarHBondContact O-N 3.15Å; R23-R26 PolarHBondContact O-N 2.83Å; R23-W27 WeakPolarHBondContact O-CB 3.36Å; R23-W27 PolarHBondContact O-N 2.95Å; R23-V154 HydrophobicContact CG-CG1 4.41Å; R23-V154 PolarHBondContact NH2-O 3.29Å; R23-P155 PolarHBondContact NE-O 3.26Å; R23-P155 PolarHBondContact NH2-O 3.1Å
24A97.6Very high96.5Very high0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-64.2-44.9177.100000111.3H20 C21 W27 Y28 L122 V154H20-A24 WeakPolarHBondContact O-CB 3.16Å; H20-A24 PolarHBondContact O-N 3.28Å; H20-A24 VanDerWaalsContact O-N 3.13Å; C21-A24 WeakPolarHBondContact O-CB 3.49Å; C21-A24 PolarHBondContact O-N 2.89Å; A24-W27 PolarHBondContact O-N 2.68Å; A24-Y28 PolarHBondContact O-N 2.82Å; A24-Y28 VanDerWaalsContact O-N 3.12Å; A24-L122 WeakPolarHBondContact O-CD2 3.28Å; A24-V154 HydrophobicContact CB-CB 3.93Å; A24-V154 HydrophobicContact CB-CG2 3.94Å
25F98.1Very high96.3Very high0 Ų054.7 Ų54.70%026%0.264CS..Hα-helixtrans-63.1-44.1176.2-175.9-133.5000111.9I13 C21 W27 Y28 L29 F41 Y84 E87 A88I13-F25 HydrophobicContact CD1-CD2 3.61Å; I13-F25 HydrophobicContact CD1-CE2 4.16Å; C21-F25 PolarHBondContact O-N 3.29Å; F25-W27 PolarHBondContact O-N 2.61Å; F25-Y28 HydrophobicContact CD2-CD1 4.14Å; F25-Y28 HydrophobicContact CE2-CD1 4.06Å; F25-Y28 HydrophobicContact CE2-CE1 4.38Å; F25-Y28 WeakPolarHBondContact O-CB 3.26Å; F25-Y28 PolarHBondContact O-N 3.19Å; F25-Y28 VanDerWaalsContact O-N 3.17Å; F25-L29 HydrophobicContact CD1-CD1 4.24Å; F25-L29 HydrophobicContact CE1-CD1 4Å; F25-L29 HydrophobicContact CE2-CD2 4.21Å; F25-L29 HydrophobicContact CE2-CG 4.26Å; F25-L29 HydrophobicContact CZ-CD1 4.15Å; F25-L29 HydrophobicContact CZ-CD2 4.11Å; F25-L29 HydrophobicContact CZ-CG 4.27Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 2.96Å; F25-F41 HydrophobicContact CD2-CE1 4.11Å; F25-F41 HydrophobicContact CD2-CZ 4.23Å; F25-F41 HydrophobicContact CE1-CZ 4.27Å; F25-F41 HydrophobicContact CE2-CE1 4.13Å; F25-F41 AromaticContact CE2-CZ 3.79Å; F25-F41 HydrophobicContact CE2-CZ 3.79Å; F25-F41 HydrophobicContact CG-CE1 4.43Å; F25-F41 HydrophobicContact CZ-CE1 4.46Å; F25-F41 AromaticContact CZ-CZ 3.81Å; F25-F41 HydrophobicContact CZ-CZ 3.81Å; F25-Y84 AromaticContact CD1-CD1 3.99Å; F25-Y84 HydrophobicContact CD1-CD1 3.99Å; F25-Y84 HydrophobicContact CD1-CE1 4.43Å; F25-E87 HydrophobicContact CD1-CG 4.38Å; F25-E87 HydrophobicContact CE1-CB 4Å; F25-E87 HydrophobicContact CE1-CG 3.75Å; F25-A88 HydrophobicContact CZ-CB 4.01Å
26R97.6Very high96.2Very high111 Ų11158.4 Ų58.442%0.41929%0.287SS..Hα-helixtrans-58.1-45173.6-176.2171-57.5101.815.8113D22 R23 Y28 L29 E30D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 PolarHBondContact O-N 3.33Å; R23-R26 PolarHBondContact O-N 2.83Å; R26-Y28 VanDerWaalsContact C-N 3.26Å; R26-Y28 PolarHBondContact O-N 3.49Å; R26-L29 WeakPolarHBondContact O-CB 3.45Å; R26-L29 PolarHBondContact O-N 3.04Å; R26-L29 VanDerWaalsContact O-N 3.09Å; R26-E30 WeakPolarHBondContact CD-OE1 3.5Å; R26-E30 HydrophobicContact CG-CG 4.45Å; R26-E30 WeakPolarHBondContact CG-OE1 3.47Å; R26-E30 WeakPolarHBondContact O-CG 3.46Å; R26-E30 PolarHBondContact O-N 2.89Å
27W98Very high96.2Very high91 Ų9156.5 Ų56.535%0.34528%0.276SS..Hα-helixtrans-58.4-40.1176.7-178.590.2000111.7R23 A24 F25 E30 N31 M32 L122 V152 V154R23-W27 WeakPolarHBondContact O-CB 3.36Å; R23-W27 PolarHBondContact O-N 2.95Å; A24-W27 PolarHBondContact O-N 2.68Å; F25-W27 PolarHBondContact O-N 2.61Å; W27-E30 PolarHBondContact O-N 3.31Å; W27-N31 HydrophobicContact CD2-CB 4.23Å; W27-N31 HydrophobicContact CH2-CB 4.21Å; W27-N31 HydrophobicContact CZ2-CB 3.88Å; W27-N31 PolarHBondContact NE1-ND2 3.4Å; W27-N31 VanDerWaalsContact O-CB 3.3Å; W27-N31 WeakPolarHBondContact O-CB 3.35Å; W27-N31 PolarHBondContact O-N 3.09Å; W27-N31 PolarHBondContact O-ND2 3.31Å; W27-M32 HydrophobicContact CZ3-CB 4.12Å; W27-M32 HydrophobicContact CZ3-SD 4.26Å; W27-L122 HydrophobicContact CE3-CD1 3.83Å; W27-L122 HydrophobicContact CZ3-CD1 4.03Å; W27-V152 HydrophobicContact CE3-CG1 4.33Å; W27-V152 HydrophobicContact CH2-CG1 4Å; W27-V152 HydrophobicContact CZ3-CG1 3.71Å; W27-V154 HydrophobicContact CB-CG1 3.91Å; W27-V154 HydrophobicContact CB-CG2 4.17Å; W27-V154 HydrophobicContact CD2-CG2 4.11Å; W27-V154 HydrophobicContact CE3-CG2 4.1Å; W27-V154 HydrophobicContact CG-CG1 4.09Å; W27-V154 HydrophobicContact CG-CG2 4.14Å
28Y98.4Very high96.4Very high0 Ų055 Ų550%026%0.261CS..Hα-helixtrans-63.8-44.3174.1156.9-87.8000112.5I11 A24 F25 R26 E30 N31 M32 K33 D37 I39 L93 L122I11-Y28 HydrophobicContact CG1-CE2 4.04Å; I11-Y28 HydrophobicContact CG2-CD2 4.38Å; I11-Y28 HydrophobicContact CG2-CE2 4.45Å; A24-Y28 PolarHBondContact O-N 2.82Å; A24-Y28 VanDerWaalsContact O-N 3.12Å; F25-Y28 HydrophobicContact CD2-CD1 4.14Å; F25-Y28 HydrophobicContact CE2-CD1 4.06Å; F25-Y28 HydrophobicContact CE2-CE1 4.38Å; F25-Y28 WeakPolarHBondContact O-CB 3.26Å; F25-Y28 PolarHBondContact O-N 3.19Å; F25-Y28 VanDerWaalsContact O-N 3.17Å; R26-Y28 VanDerWaalsContact C-N 3.26Å; R26-Y28 PolarHBondContact O-N 3.49Å; Y28-E30 PolarHBondContact O-N 3.32Å; Y28-N31 PolarHBondContact O-N 2.94Å; Y28-M32 HydrophobicContact CD2-CB 3.74Å; Y28-M32 HydrophobicContact CD2-CG 3.86Å; Y28-M32 HydrophobicContact CD2-SD 4.08Å; Y28-M32 HydrophobicContact CE2-CB 4.3Å; Y28-M32 HydrophobicContact CE2-CG 4.18Å; Y28-M32 PolarHBondContact O-N 2.88Å; Y28-K33 HydrophobicContact CE1-CB 4.15Å; Y28-K33 HydrophobicContact CE1-CG 4.25Å; Y28-K33 PolarHBondContact O-N 3.32Å; Y28-D37 WeakPolarHBondContact CE2-OD2 3.43Å; Y28-D37 WeakPolarHBondContact OH-CB 3.4Å; Y28-D37 PolarHBondContact OH-OD2 3.4Å; Y28-I39 HydrophobicContact CE1-CD1 3.7Å; Y28-I39 HydrophobicContact CE2-CD1 4.28Å; Y28-L93 HydrophobicContact CE1-CD1 3.78Å; Y28-L122 HydrophobicContact CG-CD2 4.09Å
29L98Very high96.6Very high24 Ų2454.7 Ų54.713%0.12626%0.258CS..Hα-helixtrans-57.8-37.8177.8-68.1170.6000112F25 R26 K33 Y91 L93F25-L29 HydrophobicContact CD1-CD1 4.24Å; F25-L29 HydrophobicContact CE1-CD1 4Å; F25-L29 HydrophobicContact CE2-CD2 4.21Å; F25-L29 HydrophobicContact CE2-CG 4.26Å; F25-L29 HydrophobicContact CZ-CD1 4.15Å; F25-L29 HydrophobicContact CZ-CD2 4.11Å; F25-L29 HydrophobicContact CZ-CG 4.27Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 2.96Å; R26-L29 WeakPolarHBondContact O-CB 3.45Å; R26-L29 PolarHBondContact O-N 3.04Å; R26-L29 VanDerWaalsContact O-N 3.09Å; L29-K33 HydrophobicContact CD2-CD 4.18Å; L29-Y91 HydrophobicContact CD1-CD2 3.64Å; L29-Y91 HydrophobicContact CD1-CE1 4.4Å; L29-Y91 HydrophobicContact CD1-CE2 3.42Å; L29-Y91 VanDerWaalsContact CD1-CE2 3.42Å; L29-Y91 HydrophobicContact CD1-CG 4.25Å; L29-Y91 HydrophobicContact CD2-CD1 4.21Å; L29-Y91 HydrophobicContact CD2-CD2 3.77Å; L29-Y91 HydrophobicContact CD2-CE2 4.38Å; L29-Y91 HydrophobicContact CD2-CG 3.69Å; L29-Y91 HydrophobicContact CG-CD2 4.36Å; L29-L93 HydrophobicContact CD2-CD1 3.69Å
30E97Very high96.8Very high134 Ų13448.8 Ų48.863%0.62623%0.227SC*.Hα-helixtrans-82.5-34.1-178.2-70165.8-178.900113.9R26 W27 Y28R26-E30 WeakPolarHBondContact CD-OE1 3.5Å; R26-E30 HydrophobicContact CG-CG 4.45Å; R26-E30 WeakPolarHBondContact CG-OE1 3.47Å; R26-E30 WeakPolarHBondContact O-CG 3.46Å; R26-E30 PolarHBondContact O-N 2.89Å; W27-E30 PolarHBondContact O-N 3.31Å; Y28-E30 PolarHBondContact O-N 3.32Å
31N97.7Very high97Very high101 Ų10146.9 Ų46.954%0.5422%0.218SC..Hα-helixtrans-120.8-21.1-165-61.2-92000115.4W27 Y28W27-N31 HydrophobicContact CD2-CB 4.23Å; W27-N31 HydrophobicContact CH2-CB 4.21Å; W27-N31 HydrophobicContact CZ2-CB 3.88Å; W27-N31 PolarHBondContact NE1-ND2 3.4Å; W27-N31 VanDerWaalsContact O-CB 3.3Å; W27-N31 WeakPolarHBondContact O-CB 3.35Å; W27-N31 PolarHBondContact O-N 3.09Å; W27-N31 PolarHBondContact O-ND2 3.31Å; Y28-N31 PolarHBondContact O-N 2.94Å
32M96.9Very high97.2Very high32 Ų3246.7 Ų46.716%0.15822%0.217CC..THydrogen-bonded Turntrans-131.5-16.9-166.5-175.2176.7173.700114.5R9 I11 W27 Y28 V120R9-M32 VanDerWaalsContact NH1-CE 3.34Å; R9-M32 PolarHBondContact NH2-O 2.85Å; I11-M32 HydrophobicContact CD1-CE 3.58Å; W27-M32 HydrophobicContact CZ3-CB 4.12Å; W27-M32 HydrophobicContact CZ3-SD 4.26Å; Y28-M32 HydrophobicContact CD2-CB 3.74Å; Y28-M32 HydrophobicContact CD2-CG 3.86Å; Y28-M32 HydrophobicContact CD2-SD 4.08Å; Y28-M32 HydrophobicContact CE2-CB 4.3Å; Y28-M32 HydrophobicContact CE2-CG 4.18Å; Y28-M32 PolarHBondContact O-N 2.88Å; M32-V120 HydrophobicContact CE-CB 3.95Å; M32-V120 HydrophobicContact CE-CG1 3.88Å; M32-V120 HydrophobicContact CE-CG2 3.84Å
33K96.5Very high97.3Very high61 Ų6146.7 Ų46.727%0.26522%0.216SC..  trans-53.5132.1-175.9-174.5-172.5167.4-67.80113.5Y28 L29 D35 Y91 L93Y28-K33 HydrophobicContact CE1-CB 4.15Å; Y28-K33 HydrophobicContact CE1-CG 4.25Å; Y28-K33 PolarHBondContact O-N 3.32Å; L29-K33 HydrophobicContact CD2-CD 4.18Å; K33-D35 IonicContact NZ-OD1 2.69Å; K33-D35 PolarHBondContact NZ-OD1 3.12Å; K33-Y91 VanDerWaalsContact CE-O 3.3Å; K33-Y91 WeakPolarHBondContact CE-O 3.22Å; K33-L93 HydrophobicContact CD-CD1 4.34Å; K33-L93 HydrophobicContact CD-CD2 4.41Å; K33-L93 HydrophobicContact CG-CD1 4.37Å; K33-L93 HydrophobicContact CG-CD2 4Å
34R95.9Very high97.3Very high141 Ų14146 Ų4653%0.53222%0.215SC..  trans-124.9149.3163.5-59175.9179-179.8-3.2109.4T36 D37R34-T36 PolarHBondContact O-N 3.4Å; R34-D37 PolarHBondContact N-OD2 3.17Å; R34-D37 WeakPolarHBondContact O-CB 3.43Å; R34-D37 PolarHBondContact O-N 3.32Å
35D93.3Very high97.2Very high127 Ų12746.3 Ų46.368%0.67922%0.217SC*.THydrogen-bonded Turntrans-67.8-18.7177-65.2-29.4000112.7K33K33-D35 IonicContact NZ-OD1 2.69Å; K33-D35 PolarHBondContact NZ-OD1 3.12Å
36T94.9Very high96.8Very high82 Ų8251.8 Ų51.850%0.50324%0.243SC..THydrogen-bonded Turntrans-95.610177.759.30000114S8 R34S8-T36 PolarHBondContact N-O 2.79Å; S8-T36 VanDerWaalsContact N-O 3.17Å; S8-T36 WeakPolarHBondContact OG-CB 3.48Å; S8-T36 PolarHBondContact OG-O 2.76Å; S8-T36 PolarHBondContact OG-OG1 3.45Å; R34-T36 PolarHBondContact O-N 3.4Å
37D96.8Very high96.1Very high2 Ų247.4 Ų47.41%0.01123%0.228CC..EExtended strand (participates in β ladder)trans-80.6146.1173.8-71.8-29.1000111.3R9 I11 Y28 R34R9-D37 IonicContact CZ-OD1 3.65Å; R9-D37 VanDerWaalsContact CZ-OD1 3.23Å; R9-D37 IonicContact CZ-OD2 3.23Å; R9-D37 IonicContact NE-OD1 2.73Å; R9-D37 PolarHBondContact NE-OD1 2.9Å; R9-D37 IonicContact NH2-OD1 2.63Å; R9-D37 PolarHBondContact NH2-OD1 3.03Å; R9-D37 IonicContact NH2-OD2 2.87Å; R9-D37 PolarHBondContact NH2-OD2 3.38Å; R9-D37 WeakPolarHBondContact O-CA 3.33Å; I11-D37 HydrophobicContact CG1-CB 4.39Å; Y28-D37 WeakPolarHBondContact CE2-OD2 3.43Å; Y28-D37 WeakPolarHBondContact OH-CB 3.4Å; Y28-D37 PolarHBondContact OH-OD2 3.4Å; R34-D37 PolarHBondContact N-OD2 3.17Å; R34-D37 WeakPolarHBondContact O-CB 3.43Å; R34-D37 PolarHBondContact O-N 3.32Å
38C97.5Very high94.8Very high4 Ų448 Ų483%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-112.9120.6164.3-177.40000110.4P7 R9 V10 I11 N94P7-C38 HydrophobicContact CB-CB 3.48Å; P7-C38 VanDerWaalsContact CB-CB 3.48Å; P7-C38 HydrophobicContact CG-CB 3.74Å; R9-C38 PolarHBondContact O-N 3.27Å; V10-C38 CarbonylContact C-O 3.59Å; V10-C38 WeakPolarHBondContact CA-O 3.2Å; I11-C38 PolarHBondContact N-O 3.1Å; C38-N94 CarbonylContact C-O 3.55Å; C38-N94 WeakPolarHBondContact CA-O 3.38Å
39I98.4Very high93.2Very high0 Ų055.2 Ų55.20%027%0.27CS..EExtended strand (participates in β ladder)trans-84.8131.4177.2-47.5-55.4000110.1I11 I13 Y28 F41 L93 N94 A95 K96I11-I39 HydrophobicContact CB-CD1 3.88Å; I11-I39 HydrophobicContact CG1-CD1 4.25Å; I11-I39 HydrophobicContact CG2-CD1 4.37Å; I11-I39 CarbonylContact O-C 3.52Å; I11-I39 WeakPolarHBondContact O-CA 3.42Å; I13-I39 HydrophobicContact CD1-CG2 3.71Å; I13-I39 HydrophobicContact CG1-CG2 4.05Å; Y28-I39 HydrophobicContact CE1-CD1 3.7Å; Y28-I39 HydrophobicContact CE2-CD1 4.28Å; I39-F41 HydrophobicContact CB-CE2 4.22Å; I39-F41 HydrophobicContact CB-CZ 4.33Å; I39-F41 HydrophobicContact CG2-CD1 3.94Å; I39-F41 HydrophobicContact CG2-CD2 3.96Å; I39-F41 HydrophobicContact CG2-CE1 3.61Å; I39-F41 HydrophobicContact CG2-CE2 3.63Å; I39-F41 HydrophobicContact CG2-CG 4.11Å; I39-F41 HydrophobicContact CG2-CZ 3.45Å; I39-F41 VanDerWaalsContact CG2-CZ 3.45Å; I39-L93 HydrophobicContact CG1-CB 4.38Å; I39-L93 HydrophobicContact CG1-CD1 4.3Å; I39-N94 PolarHBondContact N-O 3.19Å; I39-A95 HydrophobicContact CB-CB 4.07Å; I39-A95 CarbonylContact O-C 3.59Å; I39-A95 VanDerWaalsContact O-CA 3.28Å; I39-A95 WeakPolarHBondContact O-CA 3.34Å; I39-K96 PolarHBondContact O-N 3.29Å
40T98.6Very high91.1Very high5 Ų557.9 Ų57.93%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-115.897.5170.7-63.70000108.1I11 L12 I13 V42 F98 H116I11-T40 PolarHBondContact O-N 2.71Å; L12-T40 CarbonylContact C-O 3.48Å; L12-T40 WeakPolarHBondContact CA-O 3.47Å; L12-T40 HydrophobicContact CG-CG2 4.37Å; I13-T40 PolarHBondContact N-O 3.45Å; T40-V42 HydrophobicContact CG2-CG2 3.97Å; T40-F98 HydrophobicContact CG2-CD2 3.72Å; T40-F98 HydrophobicContact CG2-CE2 3.76Å; T40-H116 HydrophobicContact CG2-CB 3.9Å
41F98.8Very high88.9Confident0 Ų057.2 Ų57.20%029%0.29CS..EExtended strand (participates in β ladder)trans-76.2132.1171.8-61.6-69.3000110I13 I15 F25 I39 Y84 M85 A88 A95 K96 A97 F98I13-F41 HydrophobicContact CB-CD1 3.82Å; I13-F41 HydrophobicContact CB-CE1 4.08Å; I13-F41 HydrophobicContact CD1-CE1 3.95Å; I13-F41 HydrophobicContact CG1-CE1 4.5Å; I13-F41 HydrophobicContact CG2-CD1 4.14Å; I13-F41 HydrophobicContact CG2-CE1 4.23Å; I13-F41 VanDerWaalsContact O-CA 3.31Å; I13-F41 WeakPolarHBondContact O-CA 3.17Å; I15-F41 HydrophobicContact CD1-CB 3.94Å; I15-F41 HydrophobicContact CG1-CB 4.25Å; I15-F41 HydrophobicContact CG2-CB 4.23Å; I15-F41 HydrophobicContact CG2-CD1 3.61Å; I15-F41 HydrophobicContact CG2-CE1 4.41Å; I15-F41 HydrophobicContact CG2-CG 4.31Å; F25-F41 HydrophobicContact CD2-CE1 4.11Å; F25-F41 HydrophobicContact CD2-CZ 4.23Å; F25-F41 HydrophobicContact CE1-CZ 4.27Å; F25-F41 HydrophobicContact CE2-CE1 4.13Å; F25-F41 AromaticContact CE2-CZ 3.79Å; F25-F41 HydrophobicContact CE2-CZ 3.79Å; F25-F41 HydrophobicContact CG-CE1 4.43Å; F25-F41 HydrophobicContact CZ-CE1 4.46Å; F25-F41 AromaticContact CZ-CZ 3.81Å; F25-F41 HydrophobicContact CZ-CZ 3.81Å; I39-F41 HydrophobicContact CB-CE2 4.22Å; I39-F41 HydrophobicContact CB-CZ 4.33Å; I39-F41 HydrophobicContact CG2-CD1 3.94Å; I39-F41 HydrophobicContact CG2-CD2 3.96Å; I39-F41 HydrophobicContact CG2-CE1 3.61Å; I39-F41 HydrophobicContact CG2-CE2 3.63Å; I39-F41 HydrophobicContact CG2-CG 4.11Å; I39-F41 HydrophobicContact CG2-CZ 3.45Å; I39-F41 VanDerWaalsContact CG2-CZ 3.45Å; F41-Y84 HydrophobicContact CD1-CG 4.28Å; F41-Y84 HydrophobicContact CE1-CD1 4.27Å; F41-Y84 HydrophobicContact CE1-CG 4.12Å; F41-Y84 WeakPolarHBondContact CE2-O 3.42Å; F41-Y84 HydrophobicContact CZ-CG 4.45Å; F41-M85 HydrophobicContact CD2-SD 4.28Å; F41-A88 HydrophobicContact CE2-CB 3.93Å; F41-A88 HydrophobicContact CZ-CB 4.14Å; F41-A95 HydrophobicContact CD2-CB 4.4Å; F41-A95 HydrophobicContact CE2-CB 3.97Å; F41-K96 PolarHBondContact N-O 3.27Å; F41-A97 HydrophobicContact CB-CB 4.12Å; F41-A97 CarbonylContact O-C 3.56Å; F41-A97 WeakPolarHBondContact O-CA 3.34Å; F41-F98 PolarHBondContact O-N 3.43Å
42V98.7Very high86.4Confident1 Ų156.5 Ų56.51%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-128.5115.7177.9-177.60000109.6L12 I13 P14 I15 T40 V44 H100 L109 A112L12-V42 HydrophobicContact CD1-CG2 4.13Å; L12-V42 HydrophobicContact CD2-CB 4.24Å; L12-V42 HydrophobicContact CD2-CG2 3.9Å; L12-V42 HydrophobicContact CG-CG2 3.95Å; I13-V42 PolarHBondContact O-N 3.27Å; P14-V42 CarbonylContact C-O 3.56Å; P14-V42 WeakPolarHBondContact CA-O 3.35Å; I15-V42 PolarHBondContact N-O 3.33Å; T40-V42 HydrophobicContact CG2-CG2 3.97Å; V42-V44 HydrophobicContact CG1-CG2 4.45Å; V42-H100 HydrophobicContact CG1-CB 4.47Å; V42-L109 HydrophobicContact CB-CD2 4.09Å; V42-L109 HydrophobicContact CG1-CD2 3.87Å; V42-A112 HydrophobicContact CG1-CB 4.4Å; V42-A112 HydrophobicContact CG2-CB 4.38Å
43H98.3Very high84.4Confident30 Ų3057.9 Ų57.914%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-96.7129.5167.4-174.756.1000108.8I15 G77 F98 L99 H100I15-H43 HydrophobicContact CD1-CB 4.12Å; I15-H43 HydrophobicContact CG1-CB 3.89Å; I15-H43 WeakPolarHBondContact O-CA 3.39Å; I15-H43 PolarHBondContact O-ND1 2.95Å; H43-G77 VanDerWaalsContact CD2-CA 3.48Å; H43-G77 WeakPolarHBondContact CD2-CA 3.38Å; H43-F98 PolarHBondContact N-O 3.21Å; H43-L99 HydrophobicContact CB-CD2 3.75Å; H43-L99 WeakPolarHBondContact O-CA 3.24Å; H43-H100 PolarHBondContact O-N 2.83Å
44V97.5Very high82.2Confident19 Ų1963.8 Ų63.812%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-101.5119.1170.2-172.10000108.8V42 H100 D102 P105 L109V42-V44 HydrophobicContact CG1-CG2 4.45Å; V44-H100 WeakPolarHBondContact CA-O 3.48Å; V44-H100 HydrophobicContact CG2-CB 4.25Å; V44-D102 HydrophobicContact CG1-CB 3.99Å; V44-P105 HydrophobicContact CB-CB 4.11Å; V44-P105 HydrophobicContact CB-CG 4.42Å; V44-P105 HydrophobicContact CG1-CB 4.13Å; V44-P105 HydrophobicContact CG1-CG 4.12Å; V44-P105 HydrophobicContact CG2-CB 4.34Å; V44-L109 HydrophobicContact CG2-CD2 4.03Å; V44-L109 HydrophobicContact CG2-CG 4.14Å
45I94.9Very high80.2Confident7 Ų760.9 Ų60.94%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-86120.3170.1-61.8169.2000107.2P47 M70 I74 L99 H100 V101 D102I45-P47 WeakPolarHBondContact O-CD 3.28Å; I45-M70 HydrophobicContact CG2-CE 4.29Å; I45-M70 HydrophobicContact CG2-SD 4.19Å; I45-I74 HydrophobicContact CD1-CB 4.45Å; I45-I74 HydrophobicContact CD1-CG1 3.96Å; I45-L99 HydrophobicContact CD1-CB 4.48Å; I45-L99 HydrophobicContact CD1-CD1 4.39Å; I45-H100 PolarHBondContact N-O 3.39Å; I45-V101 HydrophobicContact CB-CG2 4.43Å; I45-V101 WeakPolarHBondContact O-CA 3.47Å; I45-D102 PolarHBondContact O-N 3Å; I45-D102 VanDerWaalsContact O-N 3.09Å
46E89.7Confident78.2Confident116 Ų11661.5 Ų61.554%0.54235%0.354SS..  trans-91.6101.4174.7-67.5-176.5-94.600109.8V48 D102 P105E46-V48 PolarHBondContact O-N 3.43Å; E46-D102 WeakPolarHBondContact CA-O 3.5Å; E46-P105 HydrophobicContact CG-CG 3.37Å; E46-P105 VanDerWaalsContact OE2-CD 3.24Å; E46-P105 WeakPolarHBondContact OE2-CD 3.3Å; E46-P105 WeakPolarHBondContact OE2-CG 3.46Å
47P82.4Confident76.1Confident18 Ų1864.5 Ų64.512%0.11737%0.373CS..  trans-68.3118.717528.4-34000109.7I45 Y49 V101 T103I45-P47 WeakPolarHBondContact O-CD 3.28Å; P47-Y49 VanDerWaalsContact C-N 3.26Å; P47-Y49 HydrophobicContact CB-CD2 4.28Å; P47-Y49 HydrophobicContact CB-CE1 4.44Å; P47-Y49 HydrophobicContact CB-CE2 3.77Å; P47-Y49 HydrophobicContact CG-CD2 4.12Å; P47-Y49 HydrophobicContact CG-CE2 3.45Å; P47-Y49 VanDerWaalsContact CG-CE2 3.45Å; P47-Y49 PolarHBondContact O-N 2.94Å; P47-V101 HydrophobicContact CG-CG1 4.03Å; P47-T103 HydrophobicContact CG-CG2 4Å
48V70.4Confident74.1Confident104 Ų10471.4 Ų71.463%0.6341%0.407SS*.  trans-75.280.5176.1-172.70000109.5E46 N50E46-V48 PolarHBondContact O-N 3.43Å; V48-N50 PolarHBondContact O-N 3.14Å; V48-N50 VanDerWaalsContact O-N 3.11Å
49Y65.7Low72Confident151 Ų15180 Ų8059%0.59245%0.447SS*.  trans-72100.6165.1-59.4-65000108.7P47 T51 M66 T103P47-Y49 VanDerWaalsContact C-N 3.26Å; P47-Y49 HydrophobicContact CB-CD2 4.28Å; P47-Y49 HydrophobicContact CB-CE1 4.44Å; P47-Y49 HydrophobicContact CB-CE2 3.77Å; P47-Y49 HydrophobicContact CG-CD2 4.12Å; P47-Y49 HydrophobicContact CG-CE2 3.45Å; P47-Y49 VanDerWaalsContact CG-CE2 3.45Å; P47-Y49 PolarHBondContact O-N 2.94Å; Y49-T51 PolarHBondContact O-N 3.04Å; Y49-M66 HydrophobicContact CD1-CE 4.3Å; Y49-T103 HydrophobicContact CD2-CG2 3.72Å; Y49-T103 HydrophobicContact CE2-CG2 3.87Å
50N52.9Low70Confident80 Ų8083 Ų8343%0.42847%0.467SS..  trans-61.189.2161.8-79.5-1.4000108.2V48 P52V48-N50 PolarHBondContact O-N 3.14Å; V48-N50 VanDerWaalsContact O-N 3.11Å; N50-P52 VanDerWaalsContact O-CD 3.27Å; N50-P52 WeakPolarHBondContact O-CD 3.35Å
51T52.2Low68Low120 Ų12085.3 Ų85.374%0.73648%0.483SS*.  trans-67.3115.2161-56.10000105.5Y49 A53Y49-T51 PolarHBondContact O-N 3.04Å; T51-A53 PolarHBondContact O-N 2.91Å
52P43.9Very low66.1Low86 Ų8689.1 Ų89.156%0.55851%0.507SS*.  trans-61.2114.5179.224.3-32.7000108.1N50 I54N50-P52 VanDerWaalsContact O-CD 3.27Å; N50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-I54 PolarHBondContact O-N 3.46Å; P52-I54 VanDerWaalsContact O-N 3.16Å
53A54.5Low64.4Low62 Ų6295.8 Ų95.851%0.51254%0.541SS..  trans-59.9122.4175.700000107.8T51 G55 M56T51-A53 PolarHBondContact O-N 2.91Å; A53-G55 PolarHBondContact O-N 3.3Å; A53-M56 HydrophobicContact CB-CB 4.31Å; A53-M56 PolarHBondContact O-N 3.13Å
54I51.2Low62.7Low185 Ų18598.8 Ų98.895%0.94956%0.564SS**THydrogen-bonded Turntrans-59.1102.6-179.4-60.1173.3000107.7P52P52-I54 PolarHBondContact O-N 3.46Å; P52-I54 VanDerWaalsContact O-N 3.16Å
55G53.1Low61.8Low80 Ų80100.2 Ų100.283%0.82557%0.571SS**THydrogen-bonded Turntrans110.5-4.1-177.800000117.2A53A53-G55 PolarHBondContact O-N 3.3Å
56M51.1Low60.9Low139 Ų139103 Ų10369%0.68558%0.584SS**  trans-117.9116.1170.5-66.3-169.8-177.600111.5A53 M58A53-M56 HydrophobicContact CB-CB 4.31Å; A53-M56 PolarHBondContact O-N 3.13Å; M56-M58 PolarHBondContact O-N 3.32Å
57T52.3Low60.6Low146 Ų146101 Ų10190%0.89658%0.58SS**  trans-76.962.6177.156.20000111.5
58M53.5Low60.8Low147 Ų147105.5 Ų105.572%0.72460%0.595SS**  trans-82.7109.3161.2-69.5-99.964.600107M56 S60M56-M58 PolarHBondContact O-N 3.32Å; M58-S60 PolarHBondContact O-N 3.36Å; M58-S60 VanDerWaalsContact O-N 3.1Å
59E54.7Low61.6Low184 Ų184104 Ų10486%0.8659%0.585SS**PPolyproline II helixtrans-54.6118.4175.1-65.5-176.1159.300108.9
60S56.3Low62.7Low62 Ų6299.2 Ų99.243%0.43457%0.569SS.*PPolyproline II helixtrans-69.5132.1173-63.10000107.8M58M58-S60 PolarHBondContact O-N 3.36Å; M58-S60 VanDerWaalsContact O-N 3.1Å
61P56.2Low64.5Low54 Ų54101.2 Ų101.235%0.35158%0.576SS.*PPolyproline II helixtrans-58.2143.7-179.123.3-32.8000110.3D65 M66P61-D65 HydrophobicContact CB-CB 4.21Å; P61-M66 HydrophobicContact CG-SD 4.16Å
62P59.3Low66.4Low80 Ų80100 Ų10052%0.51956%0.562SS.*PPolyproline II helixtrans-47.3145.8177.3-30.234000113.4P64 D65 M66P62-P64 VanDerWaalsContact C-N 3.27Å; P62-P64 VanDerWaalsContact O-N 3.14Å; P62-D65 WeakPolarHBondContact CD-OD2 3.47Å; P62-D65 WeakPolarHBondContact O-CA 3.43Å; P62-D65 WeakPolarHBondContact O-CB 3.3Å; P62-D65 PolarHBondContact O-N 3.01Å; P62-M66 PolarHBondContact O-N 3.39Å
63I63.1Low68.8Low141 Ų14197.6 Ų97.672%0.72355%0.547SS*.Hα-helixtrans-50.1-39.7178-60173.2000113.1D65 M66 T67I63-D65 VanDerWaalsContact C-N 3.27Å; I63-D65 PolarHBondContact O-N 3.13Å; I63-M66 WeakPolarHBondContact O-CB 3.49Å; I63-M66 PolarHBondContact O-N 3.13Å; I63-T67 PolarHBondContact O-N 2.83Å
64P61.9Low70.7Confident93 Ų9397.1 Ų97.160%0.60454%0.536SS*.Hα-helixtrans-58.9-32.5174-26.736.6000114.9P62 R68P62-P64 VanDerWaalsContact C-N 3.27Å; P62-P64 VanDerWaalsContact O-N 3.14Å; P64-R68 PolarHBondContact O-N 3.36Å
65D78Confident72.9Confident49 Ų4992 Ų9226%0.26251%0.508SS..Hα-helixtrans-72.5-37.7176.4-67.9-37.7000111.3P61 P62 I63 T67 R68 V69P61-D65 HydrophobicContact CB-CB 4.21Å; P62-D65 WeakPolarHBondContact CD-OD2 3.47Å; P62-D65 WeakPolarHBondContact O-CA 3.43Å; P62-D65 WeakPolarHBondContact O-CB 3.3Å; P62-D65 PolarHBondContact O-N 3.01Å; I63-D65 VanDerWaalsContact C-N 3.27Å; I63-D65 PolarHBondContact O-N 3.13Å; D65-T67 PolarHBondContact O-N 2.83Å; D65-R68 PolarHBondContact O-N 2.93Å; D65-R68 IonicContact OD1-CZ 3.16Å; D65-R68 IonicContact OD1-NH1 2.69Å; D65-R68 PolarHBondContact OD1-NH1 3.16Å; D65-R68 IonicContact OD1-NH2 3.69Å; D65-R68 PolarHBondContact OD1-NH2 3.47Å; D65-V69 WeakPolarHBondContact O-CB 3.31Å; D65-V69 VanDerWaalsContact O-CG2 3.28Å; D65-V69 WeakPolarHBondContact O-CG2 3.33Å; D65-V69 PolarHBondContact O-N 2.8Å
66M75.9Confident74.9Confident65 Ų6594.3 Ų94.332%0.3250%0.497SS..Hα-helixtrans-61-42.7175.4-71.8-67.2-66.300112.3Y49 P61 P62 I63 M70Y49-M66 HydrophobicContact CD1-CE 4.3Å; P61-M66 HydrophobicContact CG-SD 4.16Å; P62-M66 PolarHBondContact O-N 3.39Å; I63-M66 WeakPolarHBondContact O-CB 3.49Å; I63-M66 PolarHBondContact O-N 3.13Å; M66-M70 WeakPolarHBondContact O-CB 3.45Å; M66-M70 PolarHBondContact O-N 2.81Å
67T84.5Confident77.1Confident75 Ų7587.7 Ų87.746%0.4646%0.464SS..Hα-helixtrans-61.8-47.7175.1-55.90000111I63 D65 M70 E71I63-T67 PolarHBondContact O-N 2.83Å; D65-T67 PolarHBondContact O-N 2.83Å; T67-M70 PolarHBondContact O-N 2.89Å; T67-E71 WeakPolarHBondContact O-CG 3.15Å; T67-E71 PolarHBondContact O-N 3.32Å
68R86.3Confident79.3Confident113 Ų11385.5 Ų85.543%0.42644%0.442SS..Hα-helixtrans-61.7-46.4179.2-174.2-177.865.1-104.4-2.2112.3P64 D65 M70 E71 E72P64-R68 PolarHBondContact O-N 3.36Å; D65-R68 PolarHBondContact O-N 2.93Å; D65-R68 IonicContact OD1-CZ 3.16Å; D65-R68 IonicContact OD1-NH1 2.69Å; D65-R68 PolarHBondContact OD1-NH1 3.16Å; D65-R68 IonicContact OD1-NH2 3.69Å; D65-R68 PolarHBondContact OD1-NH2 3.47Å; R68-M70 PolarHBondContact O-N 3.27Å; R68-E71 PolarHBondContact O-N 3.07Å; R68-E72 WeakPolarHBondContact CD-OE1 3.26Å; R68-E72 HydrophobicContact CG-CG 4.43Å; R68-E72 WeakPolarHBondContact CG-OE1 3.43Å; R68-E72 IonicContact NE-OE1 2.75Å; R68-E72 WeakPolarHBondContact O-CB 3.47Å; R68-E72 WeakPolarHBondContact O-CG 3.3Å; R68-E72 PolarHBondContact O-N 3.41Å
69V86.3Confident81.4Confident71 Ų7184.2 Ų84.243%0.4343%0.433SS..Hα-helixtrans-60-37.2177.1168.30000111.2D65 S73D65-V69 WeakPolarHBondContact O-CB 3.31Å; D65-V69 VanDerWaalsContact O-CG2 3.28Å; D65-V69 WeakPolarHBondContact O-CG2 3.33Å; D65-V69 PolarHBondContact O-N 2.8Å; V69-S73 WeakPolarHBondContact O-CB 3.19Å; V69-S73 PolarHBondContact O-N 3.31Å; V69-S73 PolarHBondContact O-OG 3.45Å
70M88.8Confident83.5Confident52 Ų5276.7 Ų76.726%0.25640%0.398SS..Hα-helixtrans-70-42.8176-171.860.3-175.900112.2I45 M66 T67 R68 S73 I74 V101I45-M70 HydrophobicContact CG2-CE 4.29Å; I45-M70 HydrophobicContact CG2-SD 4.19Å; M66-M70 WeakPolarHBondContact O-CB 3.45Å; M66-M70 PolarHBondContact O-N 2.81Å; T67-M70 PolarHBondContact O-N 2.89Å; R68-M70 PolarHBondContact O-N 3.27Å; M70-S73 PolarHBondContact O-N 2.97Å; M70-I74 HydrophobicContact CE-CD1 4.03Å; M70-I74 HydrophobicContact CE-CG1 4.12Å; M70-I74 HydrophobicContact CG-CD1 4.1Å; M70-I74 WeakPolarHBondContact O-CB 3.3Å; M70-I74 VanDerWaalsContact O-CG1 3.28Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 3.26Å; M70-V101 HydrophobicContact CE-CB 4.18Å; M70-V101 HydrophobicContact CE-CG1 3.51Å; M70-V101 HydrophobicContact CE-CG2 3.52Å
71E92.1Very high85.5Confident121 Ų12173.9 Ų73.957%0.56538%0.379SS*.Hα-helixtrans-61.3-44.4174.8-73.7175.3175.800112T67 R68 I74 E75T67-E71 WeakPolarHBondContact O-CG 3.15Å; T67-E71 PolarHBondContact O-N 3.32Å; R68-E71 PolarHBondContact O-N 3.07Å; E71-I74 PolarHBondContact O-N 3.02Å; E71-E75 WeakPolarHBondContact O-CB 3.48Å; E71-E75 PolarHBondContact O-N 2.99Å
72E92.1Very high87.5Confident96 Ų9677.4 Ų77.445%0.44939%0.391SS..Hα-helixtrans-60.1-44.5174.2-73.8173.6-165.900111.3R68 E75 Q76R68-E72 WeakPolarHBondContact CD-OE1 3.26Å; R68-E72 HydrophobicContact CG-CG 4.43Å; R68-E72 WeakPolarHBondContact CG-OE1 3.43Å; R68-E72 IonicContact NE-OE1 2.75Å; R68-E72 WeakPolarHBondContact O-CB 3.47Å; R68-E72 WeakPolarHBondContact O-CG 3.3Å; R68-E72 PolarHBondContact O-N 3.41Å; E72-E75 PolarHBondContact O-N 2.86Å; E72-Q76 WeakPolarHBondContact O-CB 3.25Å; E72-Q76 VanDerWaalsContact O-CG 3.29Å; E72-Q76 WeakPolarHBondContact O-CG 3.23Å; E72-Q76 PolarHBondContact O-N 3.41Å
73S92.8Very high89.3Confident34 Ų3477.7 Ų77.724%0.23838%0.384CS..Hα-helixtrans-64.9-41.4177.9-59.30000112.4V69 M70 E75 G77V69-S73 WeakPolarHBondContact O-CB 3.19Å; V69-S73 PolarHBondContact O-N 3.31Å; V69-S73 PolarHBondContact O-OG 3.45Å; M70-S73 PolarHBondContact O-N 2.97Å; S73-E75 VanDerWaalsContact C-N 3.35Å; S73-G77 PolarHBondContact O-N 3.47Å
74I95.8Very high91Very high53 Ų5371 Ų7127%0.27235%0.35SS..Hα-helixtrans-61.8-43.9173.5-71.3165.4000110.4I45 M70 E71 G77 K78 L99I45-I74 HydrophobicContact CD1-CB 4.45Å; I45-I74 HydrophobicContact CD1-CG1 3.96Å; M70-I74 HydrophobicContact CE-CD1 4.03Å; M70-I74 HydrophobicContact CE-CG1 4.12Å; M70-I74 HydrophobicContact CG-CD1 4.1Å; M70-I74 WeakPolarHBondContact O-CB 3.3Å; M70-I74 VanDerWaalsContact O-CG1 3.28Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 3.26Å; E71-I74 PolarHBondContact O-N 3.02Å; I74-G77 PolarHBondContact O-N 3.47Å; I74-K78 HydrophobicContact CG2-CD 4.28Å; I74-K78 WeakPolarHBondContact O-CG 3.45Å; I74-K78 PolarHBondContact O-N 2.74Å; I74-L99 HydrophobicContact CG2-CD1 4.37Å
75E96.8Very high92.7Very high77 Ų7769.6 Ų69.636%0.3634%0.336SS..Hα-helixtrans-69.9-38.9-178.3-176.555.8-157.600112.5E71 E72 S73 K78 K79E71-E75 WeakPolarHBondContact O-CB 3.48Å; E71-E75 PolarHBondContact O-N 2.99Å; E72-E75 PolarHBondContact O-N 2.86Å; S73-E75 VanDerWaalsContact C-N 3.35Å; E75-K78 PolarHBondContact O-N 2.83Å; E75-K79 WeakPolarHBondContact O-CG 3.4Å; E75-K79 PolarHBondContact O-N 3.04Å; E75-K79 WeakPolarHBondContact OE1-CE 3.44Å; E75-K79 IonicContact OE1-NZ 3.7Å; E75-K79 PolarHBondContact OE1-NZ 3.32Å
76Q95.5Very high93.7Very high129 Ų12974 Ų7460%0.60336%0.355SS*.Hα-helixtrans-61.8-45.8170.2-71.9176.112.100111.2E72 K78 K79 L80E72-Q76 WeakPolarHBondContact O-CB 3.25Å; E72-Q76 VanDerWaalsContact O-CG 3.29Å; E72-Q76 WeakPolarHBondContact O-CG 3.23Å; E72-Q76 PolarHBondContact O-N 3.41Å; Q76-K78 PolarHBondContact O-N 3.16Å; Q76-K79 PolarHBondContact O-N 3.13Å; Q76-L80 WeakPolarHBondContact O-CB 3.28Å; Q76-L80 PolarHBondContact O-N 3.08Å
77G96.9Very high94.7Very high0 Ų072.9 Ų72.90%035%0.349CS..Hα-helixtrans-58.8-44174.800000113H43 S73 I74 L80 G81H43-G77 VanDerWaalsContact CD2-CA 3.48Å; H43-G77 WeakPolarHBondContact CD2-CA 3.38Å; S73-G77 PolarHBondContact O-N 3.47Å; I74-G77 PolarHBondContact O-N 3.47Å; G77-L80 PolarHBondContact O-N 3.16Å; G77-G81 PolarHBondContact O-N 3.31Å
78K98.2Very high95.4Very high100 Ų10069.3 Ų69.344%0.43533%0.327SS..Hα-helixtrans-59.7-47.7175.1-75.9173.9-171.8162.10111.6I74 E75 Q76 L80 G81 Q82 L99I74-K78 HydrophobicContact CG2-CD 4.28Å; I74-K78 WeakPolarHBondContact O-CG 3.45Å; I74-K78 PolarHBondContact O-N 2.74Å; E75-K78 PolarHBondContact O-N 2.83Å; Q76-K78 PolarHBondContact O-N 3.16Å; K78-L80 VanDerWaalsContact C-N 3.32Å; K78-L80 PolarHBondContact O-N 3.02Å; K78-G81 PolarHBondContact O-N 3.46Å; K78-Q82 WeakPolarHBondContact O-CB 3.35Å; K78-Q82 VanDerWaalsContact O-CG 3.28Å; K78-Q82 WeakPolarHBondContact O-CG 3.29Å; K78-Q82 PolarHBondContact O-N 3.43Å; K78-L99 HydrophobicContact CG-CD1 3.8Å
79K98.3Very high95.9Very high120 Ų12071.7 Ų71.752%0.52234%0.34SS..Hα-helixtrans-60.7-41.4177.4-74.8167.4177.5155.10111.7E75 Q76 Q82 K83E75-K79 WeakPolarHBondContact O-CG 3.4Å; E75-K79 PolarHBondContact O-N 3.04Å; E75-K79 WeakPolarHBondContact OE1-CE 3.44Å; E75-K79 IonicContact OE1-NZ 3.7Å; E75-K79 PolarHBondContact OE1-NZ 3.32Å; Q76-K79 PolarHBondContact O-N 3.13Å; K79-Q82 PolarHBondContact O-N 2.89Å; K79-K83 PolarHBondContact O-N 2.83Å
80L98Very high96.4Very high25 Ų2572.1 Ų72.113%0.13135%0.347CS..Hα-helixtrans-64.2-45.8176.1-17368.5000111.9I15 Q76 G77 K78 Q82 K83 Y84I15-L80 HydrophobicContact CB-CD2 4.28Å; I15-L80 HydrophobicContact CD1-CD2 4.28Å; I15-L80 HydrophobicContact CD1-CG 4.16Å; I15-L80 HydrophobicContact CG1-CD2 4.38Å; Q76-L80 WeakPolarHBondContact O-CB 3.28Å; Q76-L80 PolarHBondContact O-N 3.08Å; G77-L80 PolarHBondContact O-N 3.16Å; K78-L80 VanDerWaalsContact C-N 3.32Å; K78-L80 PolarHBondContact O-N 3.02Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.45Å; L80-K83 WeakPolarHBondContact O-CB 3.31Å; L80-K83 PolarHBondContact O-N 2.96Å; L80-Y84 HydrophobicContact CD1-CD2 4.33Å; L80-Y84 HydrophobicContact CD1-CE2 3.7Å; L80-Y84 HydrophobicContact CG-CD2 4.29Å; L80-Y84 HydrophobicContact CG-CE2 3.96Å; L80-Y84 VanDerWaalsContact O-CD2 3.32Å; L80-Y84 WeakPolarHBondContact O-CD2 3.33Å; L80-Y84 PolarHBondContact O-N 3.16Å
81G98.3Very high96.8Very high4 Ų475 Ų754%0.04136%0.355CS..Hα-helixtrans-58.6-43173.200000112.2G77 K78 K83 Y84 M85G77-G81 PolarHBondContact O-N 3.31Å; K78-G81 PolarHBondContact O-N 3.46Å; G81-K83 PolarHBondContact O-N 3.02Å; G81-Y84 PolarHBondContact O-N 3.04Å; G81-M85 VanDerWaalsContact O-CB 3.3Å; G81-M85 WeakPolarHBondContact O-CB 3.33Å; G81-M85 WeakPolarHBondContact O-CG 3.31Å; G81-M85 PolarHBondContact O-N 2.64Å
82Q98.4Very high97Very high128 Ų12878 Ų7860%0.59837%0.366SS*.Hα-helixtrans-63-38.9176.6-72.6171.72000113K78 K79 L80 M85 H86K78-Q82 WeakPolarHBondContact O-CB 3.35Å; K78-Q82 VanDerWaalsContact O-CG 3.28Å; K78-Q82 WeakPolarHBondContact O-CG 3.29Å; K78-Q82 PolarHBondContact O-N 3.43Å; K79-Q82 PolarHBondContact O-N 2.89Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.45Å; Q82-M85 PolarHBondContact O-N 2.95Å; Q82-H86 WeakPolarHBondContact O-CB 3.48Å; Q82-H86 PolarHBondContact O-N 3.25Å
83K98.2Very high97.2Very high86 Ų8674 Ų7437%0.37435%0.348SS..Hα-helixtrans-53.6-58.7173.8179-159.7174.8-169.50110.7D22 K79 L80 G81 M85 H86 E87D22-K83 IonicContact OD1-NZ 3.38Å; D22-K83 PolarHBondContact OD1-NZ 2.88Å; D22-K83 IonicContact OD2-NZ 2.72Å; D22-K83 PolarHBondContact OD2-NZ 2.9Å; K79-K83 PolarHBondContact O-N 2.83Å; L80-K83 WeakPolarHBondContact O-CB 3.31Å; L80-K83 PolarHBondContact O-N 2.96Å; G81-K83 PolarHBondContact O-N 3.02Å; K83-M85 PolarHBondContact O-N 3.08Å; K83-H86 PolarHBondContact O-N 3.47Å; K83-E87 PolarHBondContact O-N 2.63Å
84Y98.4Very high97.4Very high0 Ų076.4 Ų76.40%036%0.358CS..Hα-helixtrans-69.2-32.5-176.7-69.4-68.2000113.2I15 C21 D22 F25 F41 L80 G81 E87 A88I15-Y84 HydrophobicContact CB-CD2 3.85Å; I15-Y84 HydrophobicContact CB-CE2 3.61Å; I15-Y84 HydrophobicContact CD1-CD2 3.84Å; I15-Y84 HydrophobicContact CD1-CE2 4.35Å; I15-Y84 HydrophobicContact CG1-CD2 4.44Å; I15-Y84 HydrophobicContact CG2-CD2 3.46Å; I15-Y84 VanDerWaalsContact CG2-CD2 3.46Å; I15-Y84 HydrophobicContact CG2-CE2 3.46Å; I15-Y84 VanDerWaalsContact CG2-CE2 3.46Å; I15-Y84 HydrophobicContact CG2-CG 4.03Å; C21-Y84 PolarHBondContact SG-OH 3.43Å; D22-Y84 VanDerWaalsContact OD1-CE1 3.27Å; D22-Y84 WeakPolarHBondContact OD1-CE1 3.27Å; D22-Y84 PolarHBondContact OD1-OH 2.97Å; F25-Y84 AromaticContact CD1-CD1 3.99Å; F25-Y84 HydrophobicContact CD1-CD1 3.99Å; F25-Y84 HydrophobicContact CD1-CE1 4.43Å; F41-Y84 HydrophobicContact CD1-CG 4.28Å; F41-Y84 HydrophobicContact CE1-CD1 4.27Å; F41-Y84 HydrophobicContact CE1-CG 4.12Å; F41-Y84 WeakPolarHBondContact CE2-O 3.42Å; F41-Y84 HydrophobicContact CZ-CG 4.45Å; L80-Y84 HydrophobicContact CD1-CD2 4.33Å; L80-Y84 HydrophobicContact CD1-CE2 3.7Å; L80-Y84 HydrophobicContact CG-CD2 4.29Å; L80-Y84 HydrophobicContact CG-CE2 3.96Å; L80-Y84 VanDerWaalsContact O-CD2 3.32Å; L80-Y84 WeakPolarHBondContact O-CD2 3.33Å; L80-Y84 PolarHBondContact O-N 3.16Å; G81-Y84 PolarHBondContact O-N 3.04Å; Y84-E87 PolarHBondContact O-N 2.73Å; Y84-A88 VanDerWaalsContact O-CB 3.31Å; Y84-A88 WeakPolarHBondContact O-CB 3.02Å; Y84-A88 PolarHBondContact O-N 2.87Å
85M98.3Very high97.5Very high64 Ų6474.7 Ų74.732%0.31535%0.352SS..Hα-helixtrans-63.4-40.1172.3-75.2-70.7-58.800112.3F41 G81 Q82 K83 K89 A95 K96 A97F41-M85 HydrophobicContact CD2-SD 4.28Å; G81-M85 VanDerWaalsContact O-CB 3.3Å; G81-M85 WeakPolarHBondContact O-CB 3.33Å; G81-M85 WeakPolarHBondContact O-CG 3.31Å; G81-M85 PolarHBondContact O-N 2.64Å; Q82-M85 PolarHBondContact O-N 2.95Å; K83-M85 PolarHBondContact O-N 3.08Å; M85-K89 WeakPolarHBondContact O-CB 2.86Å; M85-K89 PolarHBondContact O-N 3.34Å; M85-K89 VanDerWaalsContact O-N 3.11Å; M85-A95 HydrophobicContact CE-CB 4.26Å; M85-A95 VanDerWaalsContact CE-O 3.29Å; M85-A95 WeakPolarHBondContact CE-O 3.49Å; M85-A95 VanDerWaalsContact SD-C 3.52Å; M85-A95 HydrophobicContact SD-CB 3.6Å; M85-K96 VanDerWaalsContact SD-CA 3.56Å; M85-A97 HydrophobicContact CG-CB 3.71Å; M85-A97 HydrophobicContact SD-CB 4.08Å
86H98.3Very high97.5Very high142 Ų14276.2 Ų76.266%0.65736%0.357SS*.Hα-helixtrans-67-43.3175.1-175.993000111.4Q82 K83 K89 S90Q82-H86 WeakPolarHBondContact O-CB 3.48Å; Q82-H86 PolarHBondContact O-N 3.25Å; K83-H86 PolarHBondContact O-N 3.47Å; H86-K89 PolarHBondContact O-N 3.49Å; H86-S90 PolarHBondContact O-N 3.4Å; H86-S90 VanDerWaalsContact O-N 3.15Å
87E97.4Very high97.7Very high40 Ų4072 Ų7219%0.18735%0.345CS..Hα-helixtrans-63.4-50.1177.2-163.6178.8-179.100111.3F25 K83 Y84 K89 S90 Y91F25-E87 HydrophobicContact CD1-CG 4.38Å; F25-E87 HydrophobicContact CE1-CB 4Å; F25-E87 HydrophobicContact CE1-CG 3.75Å; K83-E87 PolarHBondContact O-N 2.63Å; Y84-E87 PolarHBondContact O-N 2.73Å; E87-K89 VanDerWaalsContact C-N 3.25Å; E87-K89 PolarHBondContact O-N 2.83Å; E87-S90 PolarHBondContact O-N 3.15Å; E87-S90 PolarHBondContact O-OG 2.87Å; E87-Y91 HydrophobicContact CG-CD2 4.49Å; E87-Y91 HydrophobicContact CG-CE2 4.12Å; E87-Y91 VanDerWaalsContact O-CD2 3.26Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 2.87Å
88A97.7Very high97.7Very high0 Ų075.4 Ų75.40%036%0.36CS..Hα-helixtrans-56.8-38.1175.400000112.8F25 F41 Y84 S90 Y91 K92 L93 A95F25-A88 HydrophobicContact CZ-CB 4.01Å; F41-A88 HydrophobicContact CE2-CB 3.93Å; F41-A88 HydrophobicContact CZ-CB 4.14Å; Y84-A88 VanDerWaalsContact O-CB 3.31Å; Y84-A88 WeakPolarHBondContact O-CB 3.02Å; Y84-A88 PolarHBondContact O-N 2.87Å; A88-S90 PolarHBondContact O-N 3.24Å; A88-Y91 CarbonylContact O-C 3.59Å; A88-Y91 PolarHBondContact O-N 2.96Å; A88-K92 PolarHBondContact O-N 3.01Å; A88-L93 HydrophobicContact CB-CB 4.26Å; A88-L93 WeakPolarHBondContact O-CB 3.38Å; A88-L93 PolarHBondContact O-N 3.43Å; A88-A95 HydrophobicContact CB-CB 3.71Å
89K97.1Very high97.7Very high163 Ų16373.6 Ų73.671%0.70935%0.354SS*.Hα-helixtrans-64.7-34.9176.3-174.7178.5178.8-1790112.8M85 H86 E87 Y91 K92M85-K89 WeakPolarHBondContact O-CB 2.86Å; M85-K89 PolarHBondContact O-N 3.34Å; M85-K89 VanDerWaalsContact O-N 3.11Å; H86-K89 PolarHBondContact O-N 3.49Å; E87-K89 VanDerWaalsContact C-N 3.25Å; E87-K89 PolarHBondContact O-N 2.83Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.01Å; K89-K92 PolarHBondContact O-N 3.43Å
90S97.5Very high97.7Very high81 Ų8169.5 Ų69.557%0.56634%0.337SS*.Hα-helixtrans-65.6-32.917782.60000111.7H86 E87 A88 K92H86-S90 PolarHBondContact O-N 3.4Å; H86-S90 VanDerWaalsContact O-N 3.15Å; E87-S90 PolarHBondContact O-N 3.15Å; E87-S90 PolarHBondContact O-OG 2.87Å; A88-S90 PolarHBondContact O-N 3.24Å; S90-K92 VanDerWaalsContact C-N 3.27Å; S90-K92 PolarHBondContact O-N 3.11Å
91Y96.7Very high97.6Very high111 Ų11171.9 Ų71.944%0.43535%0.353SS..THydrogen-bonded Turntrans-84.411.4172.3-64.7-75.8000114.6L29 K33 E87 A88 K89 L93L29-Y91 HydrophobicContact CD1-CD2 3.64Å; L29-Y91 HydrophobicContact CD1-CE1 4.4Å; L29-Y91 HydrophobicContact CD1-CE2 3.42Å; L29-Y91 VanDerWaalsContact CD1-CE2 3.42Å; L29-Y91 HydrophobicContact CD1-CG 4.25Å; L29-Y91 HydrophobicContact CD2-CD1 4.21Å; L29-Y91 HydrophobicContact CD2-CD2 3.77Å; L29-Y91 HydrophobicContact CD2-CE2 4.38Å; L29-Y91 HydrophobicContact CD2-CG 3.69Å; L29-Y91 HydrophobicContact CG-CD2 4.36Å; K33-Y91 VanDerWaalsContact CE-O 3.3Å; K33-Y91 WeakPolarHBondContact CE-O 3.22Å; E87-Y91 HydrophobicContact CG-CD2 4.49Å; E87-Y91 HydrophobicContact CG-CE2 4.12Å; E87-Y91 VanDerWaalsContact O-CD2 3.26Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 2.87Å; A88-Y91 CarbonylContact O-C 3.59Å; A88-Y91 PolarHBondContact O-N 2.96Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.01Å; Y91-L93 PolarHBondContact O-N 3.23Å
92K96Very high97.4Very high184 Ų18474 Ų7480%0.836%0.363SS*.THydrogen-bonded Turntrans58.525-179.3-55.2178.6-178.7175.40114.8A88 K89 S90A88-K92 PolarHBondContact O-N 3.01Å; K89-K92 PolarHBondContact O-N 3.43Å; S90-K92 VanDerWaalsContact C-N 3.27Å; S90-K92 PolarHBondContact O-N 3.11Å
93L96.6Very high97.1Very high12 Ų1271.7 Ų71.76%0.06336%0.358CS..  trans-83.7141.9178.4-70.1164.5000111.7Y28 L29 K33 I39 A88 Y91 A95Y28-L93 HydrophobicContact CE1-CD1 3.78Å; L29-L93 HydrophobicContact CD2-CD1 3.69Å; K33-L93 HydrophobicContact CD-CD1 4.34Å; K33-L93 HydrophobicContact CD-CD2 4.41Å; K33-L93 HydrophobicContact CG-CD1 4.37Å; K33-L93 HydrophobicContact CG-CD2 4Å; I39-L93 HydrophobicContact CG1-CB 4.38Å; I39-L93 HydrophobicContact CG1-CD1 4.3Å; A88-L93 HydrophobicContact CB-CB 4.26Å; A88-L93 WeakPolarHBondContact O-CB 3.38Å; A88-L93 PolarHBondContact O-N 3.43Å; Y91-L93 PolarHBondContact O-N 3.23Å; L93-A95 PolarHBondContact O-N 3.35Å
94N96.4Very high96.9Very high86 Ų8674.2 Ų74.246%0.4637%0.369SS..EExtended strand (participates in β ladder)trans-72.1123.5164.5-176.1-3.3000108.2C38 I39C38-N94 CarbonylContact C-O 3.55Å; C38-N94 WeakPolarHBondContact CA-O 3.38Å; I39-N94 PolarHBondContact N-O 3.19Å
95A97.9Very high96.8Very high16 Ų1674.9 Ų74.913%0.13237%0.373CS..EExtended strand (participates in β ladder)trans-137.9154.2-177.400000111.9I39 F41 M85 A88 L93I39-A95 HydrophobicContact CB-CB 4.07Å; I39-A95 CarbonylContact O-C 3.59Å; I39-A95 VanDerWaalsContact O-CA 3.28Å; I39-A95 WeakPolarHBondContact O-CA 3.34Å; F41-A95 HydrophobicContact CD2-CB 4.4Å; F41-A95 HydrophobicContact CE2-CB 3.97Å; M85-A95 HydrophobicContact CE-CB 4.26Å; M85-A95 VanDerWaalsContact CE-O 3.29Å; M85-A95 WeakPolarHBondContact CE-O 3.49Å; M85-A95 VanDerWaalsContact SD-C 3.52Å; M85-A95 HydrophobicContact SD-CB 3.6Å; A88-A95 HydrophobicContact CB-CB 3.71Å; L93-A95 PolarHBondContact O-N 3.35Å
96K98Very high96.7Very high109 Ų10972.1 Ų72.147%0.47436%0.361SS..EExtended strand (participates in β ladder)trans-136.5151.4169.6-61.7175.9-173.1169.80108.4I39 F41 M85 F98I39-K96 PolarHBondContact O-N 3.29Å; F41-K96 PolarHBondContact N-O 3.27Å; M85-K96 VanDerWaalsContact SD-CA 3.56Å; K96-F98 HydrophobicContact CB-CD2 4.46Å; K96-F98 HydrophobicContact CB-CE2 3.63Å; K96-F98 HydrophobicContact CB-CZ 4.12Å; K96-F98 HydrophobicContact CD-CE2 4.35Å; K96-F98 HydrophobicContact CD-CZ 4.21Å
97A98.4Very high96.7Very high42 Ų4267.7 Ų67.735%0.34735%0.346SS..EExtended strand (participates in β ladder)trans-128.6135.4174.500000110.5F41 M85F41-A97 HydrophobicContact CB-CB 4.12Å; F41-A97 CarbonylContact O-C 3.56Å; F41-A97 WeakPolarHBondContact O-CA 3.34Å; M85-A97 HydrophobicContact CG-CB 3.71Å; M85-A97 HydrophobicContact SD-CB 4.08Å
98F98.5Very high96.8Very high71 Ų7166 Ų6631%0.31134%0.339SS..EExtended strand (participates in β ladder)trans-125.9144.4-178.7-61.3-88.6000110.5T40 F41 H43 K96 H116T40-F98 HydrophobicContact CG2-CD2 3.72Å; T40-F98 HydrophobicContact CG2-CE2 3.76Å; F41-F98 PolarHBondContact O-N 3.43Å; H43-F98 PolarHBondContact N-O 3.21Å; K96-F98 HydrophobicContact CB-CD2 4.46Å; K96-F98 HydrophobicContact CB-CE2 3.63Å; K96-F98 HydrophobicContact CB-CZ 4.12Å; K96-F98 HydrophobicContact CD-CE2 4.35Å; K96-F98 HydrophobicContact CD-CZ 4.21Å; F98-H116 AromaticContact CD1-CE1 3.79Å; F98-H116 AromaticContact CD2-CE1 3.65Å; F98-H116 AromaticContact CD2-NE2 3.84Å; F98-H116 AromaticContact CE1-CE1 3.86Å; F98-H116 AromaticContact CE2-CE1 3.73Å; F98-H116 AromaticContact CE2-ND1 3.93Å; F98-H116 AromaticContact CG-CE1 3.68Å; F98-H116 AromaticContact CG-NE2 3.89Å; F98-H116 AromaticContact CZ-CE1 3.83Å
99L98.1Very high96.8Very high61 Ų6166.2 Ų66.232%0.31934%0.34SS..EExtended strand (participates in β ladder)trans-107.5121.3169.7-54.8-174.3000108.3H43 I45 I74 K78H43-L99 HydrophobicContact CB-CD2 3.75Å; H43-L99 WeakPolarHBondContact O-CA 3.24Å; I45-L99 HydrophobicContact CD1-CB 4.48Å; I45-L99 HydrophobicContact CD1-CD1 4.39Å; I74-L99 HydrophobicContact CG2-CD1 4.37Å; K78-L99 HydrophobicContact CG-CD1 3.8Å
100H97.5Very high96.9Very high34 Ų3459.7 Ų59.716%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-104.3146.9172-75-150.9000108.3V42 H43 V44 I45 H116V42-H100 HydrophobicContact CG1-CB 4.47Å; H43-H100 PolarHBondContact O-N 2.83Å; V44-H100 WeakPolarHBondContact CA-O 3.48Å; V44-H100 HydrophobicContact CG2-CB 4.25Å; I45-H100 PolarHBondContact N-O 3.39Å; H100-H116 AromaticContact NE2-NE2 3.55Å
101V95.3Very high96.9Very high76 Ų7661.4 Ų61.446%0.46131%0.311SS..EExtended strand (participates in β ladder)trans-120.4111.8175.7-178.60000107.1I45 P47 M70I45-V101 HydrophobicContact CB-CG2 4.43Å; I45-V101 WeakPolarHBondContact O-CA 3.47Å; P47-V101 HydrophobicContact CG-CG1 4.03Å; M70-V101 HydrophobicContact CE-CB 4.18Å; M70-V101 HydrophobicContact CE-CG1 3.51Å; M70-V101 HydrophobicContact CE-CG2 3.52Å
102D94.5Very high97Very high49 Ų4956.1 Ų56.126%0.26229%0.29SS..  trans-157.9143.2-172.7-159-46.7000110.2V44 I45 E46 K104 S108V44-D102 HydrophobicContact CG1-CB 3.99Å; I45-D102 PolarHBondContact O-N 3Å; I45-D102 VanDerWaalsContact O-N 3.09Å; E46-D102 WeakPolarHBondContact CA-O 3.5Å; D102-K104 PolarHBondContact O-N 3.03Å; D102-K104 PolarHBondContact OD1-N 2.88Å; D102-S108 WeakPolarHBondContact CB-OG 3.32Å; D102-S108 WeakPolarHBondContact OD2-CB 3.33Å; D102-S108 PolarHBondContact OD2-OG 2.94Å
103T91.8Very high97.1Very high78 Ų7847.4 Ų47.448%0.47925%0.252SS..SBendtrans-81.4-1.8175.554.40000113P47 Y49P47-T103 HydrophobicContact CG-CG2 4Å; Y49-T103 HydrophobicContact CD2-CG2 3.72Å; Y49-T103 HydrophobicContact CE2-CG2 3.87Å
104K94.7Very high97.2Very high139 Ų13949.8 Ų49.860%0.60427%0.27SS*.  trans-136.380.6-177.9-62.7178.8-176.3175.40111.1D102 G106 S107 S108D102-K104 PolarHBondContact O-N 3.03Å; D102-K104 PolarHBondContact OD1-N 2.88Å; K104-G106 VanDerWaalsContact C-N 3.29Å; K104-G106 PolarHBondContact O-N 3.15Å; K104-G106 VanDerWaalsContact O-N 3.15Å; K104-S107 PolarHBondContact O-N 2.63Å; K104-S108 PolarHBondContact O-N 3.22Å
105P95.8Very high97.3Very high14 Ų1449.6 Ų49.69%0.09127%0.269CS..Hα-helixtrans-53.2-40.2-175.7-28.433.9000115V44 E46 S107 S108 L109 V139V44-P105 HydrophobicContact CB-CB 4.11Å; V44-P105 HydrophobicContact CB-CG 4.42Å; V44-P105 HydrophobicContact CG1-CB 4.13Å; V44-P105 HydrophobicContact CG1-CG 4.12Å; V44-P105 HydrophobicContact CG2-CB 4.34Å; E46-P105 HydrophobicContact CG-CG 3.37Å; E46-P105 VanDerWaalsContact OE2-CD 3.24Å; E46-P105 WeakPolarHBondContact OE2-CD 3.3Å; E46-P105 WeakPolarHBondContact OE2-CG 3.46Å; P105-S107 VanDerWaalsContact C-N 3.34Å; P105-S107 PolarHBondContact O-N 3.29Å; P105-S108 PolarHBondContact O-N 2.94Å; P105-L109 WeakPolarHBondContact O-CB 3.4Å; P105-L109 VanDerWaalsContact O-CG 3.28Å; P105-L109 WeakPolarHBondContact O-CG 3.11Å; P105-L109 PolarHBondContact O-N 3.07Å; P105-V139 HydrophobicContact CB-CG1 4.08Å; P105-V139 HydrophobicContact CB-CG2 3.95Å
106G97.2Very high97.3Very high7 Ų750.6 Ų50.67%0.07227%0.271CS..Hα-helixtrans-57.8-45.617700000112.6K104 V110 Y142K104-G106 VanDerWaalsContact C-N 3.29Å; K104-G106 PolarHBondContact O-N 3.15Å; K104-G106 VanDerWaalsContact O-N 3.15Å; G106-V110 VanDerWaalsContact O-CG2 3.31Å; G106-V110 WeakPolarHBondContact O-CG2 3.46Å; G106-V110 PolarHBondContact O-N 2.69Å; G106-V110 VanDerWaalsContact O-N 3.13Å; G106-Y142 VanDerWaalsContact C-CE1 3.44Å; G106-Y142 WeakPolarHBondContact O-CD1 3.27Å
107S98Very high97.2Very high48 Ų4853.5 Ų53.534%0.33628%0.283SS..Hα-helixtrans-70.3-38.6177.4-169.90000111.8K104 P105 L109 V110 K111K104-S107 PolarHBondContact O-N 2.63Å; P105-S107 VanDerWaalsContact C-N 3.34Å; P105-S107 PolarHBondContact O-N 3.29Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.43Å; S107-V110 PolarHBondContact O-N 2.72Å; S107-K111 PolarHBondContact O-N 2.91Å
108S98.2Very high97.2Very high5 Ų551.8 Ų51.84%0.03527%0.269CS..Hα-helixtrans-62.6-40.8177.5-154.20000112D102 K104 P105 K111 A112D102-S108 WeakPolarHBondContact CB-OG 3.32Å; D102-S108 WeakPolarHBondContact OD2-CB 3.33Å; D102-S108 PolarHBondContact OD2-OG 2.94Å; K104-S108 PolarHBondContact O-N 3.22Å; P105-S108 PolarHBondContact O-N 2.94Å; S108-K111 PolarHBondContact O-N 2.96Å; S108-A112 WeakPolarHBondContact O-CB 3.46Å; S108-A112 PolarHBondContact O-N 3.12Å
109L98.5Very high97.2Very high4 Ų452.1 Ų52.12%0.02127%0.274CS..Hα-helixtrans-68.9-40.3175.9-69.5174.4000112.5L12 P14 V42 V44 P105 S107 K111 A112 I113 M123 V139 V143L12-L109 HydrophobicContact CD2-CD2 4.37Å; P14-L109 HydrophobicContact CB-CD1 3.68Å; P14-L109 HydrophobicContact CB-CD2 3.87Å; P14-L109 HydrophobicContact CB-CG 4.44Å; P14-L109 HydrophobicContact CG-CD1 3.7Å; P14-L109 HydrophobicContact CG-CD2 3.87Å; P14-L109 HydrophobicContact CG-CG 4.37Å; V42-L109 HydrophobicContact CB-CD2 4.09Å; V42-L109 HydrophobicContact CG1-CD2 3.87Å; V44-L109 HydrophobicContact CG2-CD2 4.03Å; V44-L109 HydrophobicContact CG2-CG 4.14Å; P105-L109 WeakPolarHBondContact O-CB 3.4Å; P105-L109 VanDerWaalsContact O-CG 3.28Å; P105-L109 WeakPolarHBondContact O-CG 3.11Å; P105-L109 PolarHBondContact O-N 3.07Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.43Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 3.3Å; L109-A112 WeakPolarHBondContact O-CB 3.37Å; L109-A112 PolarHBondContact O-N 2.53Å; L109-A112 VanDerWaalsContact O-N 3.13Å; L109-I113 WeakPolarHBondContact O-CG1 3.48Å; L109-I113 PolarHBondContact O-N 2.87Å; L109-M123 HydrophobicContact CD1-CE 4.35Å; L109-V139 HydrophobicContact CD1-CG1 3.57Å; L109-V143 HydrophobicContact CB-CG2 3.95Å; L109-V143 HydrophobicContact CD1-CG2 4.14Å
110V98.7Very high97.2Very high26 Ų2650 Ų5016%0.15826%0.264CS..Hα-helixtrans-62.4-35.3174.2172.20000111.3G106 S107 Y142 V143 H146G106-V110 VanDerWaalsContact O-CG2 3.31Å; G106-V110 WeakPolarHBondContact O-CG2 3.46Å; G106-V110 PolarHBondContact O-N 2.69Å; G106-V110 VanDerWaalsContact O-N 3.13Å; S107-V110 PolarHBondContact O-N 2.72Å; V110-Y142 HydrophobicContact CG2-CD1 4.29Å; V110-Y142 HydrophobicContact CG2-CE1 4.17Å; V110-V143 HydrophobicContact CG2-CG2 4.39Å; V110-H146 HydrophobicContact CG1-CB 4.37Å; V110-H146 HydrophobicContact CG2-CB 3.88Å
111K98.5Very high97.3Very high118 Ų11848.4 Ų48.451%0.51326%0.256SS..Hα-helixtrans-68-44.7170.2-165.5-165.6179.6-60.20111.9S107 S108 L109 I113 S114 D115S107-K111 PolarHBondContact O-N 2.91Å; S108-K111 PolarHBondContact O-N 2.96Å; L109-K111 VanDerWaalsContact C-N 3.26Å; L109-K111 PolarHBondContact O-N 3.3Å; K111-I113 VanDerWaalsContact C-N 3.26Å; K111-I113 PolarHBondContact O-N 2.86Å; K111-S114 WeakPolarHBondContact O-CB 3.16Å; K111-S114 PolarHBondContact O-N 2.89Å; K111-D115 IonicContact NZ-OD1 3.31Å; K111-D115 PolarHBondContact NZ-OD1 3.23Å; K111-D115 IonicContact NZ-OD2 3.88Å; K111-D115 PolarHBondContact NZ-OD2 2.85Å; K111-D115 VanDerWaalsContact O-CG 3.31Å; K111-D115 PolarHBondContact O-N 3.46Å
112A98.6Very high97.4Very high0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-59.9-34.218000000112.9L12 V42 S108 L109 S114 D115 H116L12-A112 HydrophobicContact CD1-CB 3.97Å; V42-A112 HydrophobicContact CG1-CB 4.4Å; V42-A112 HydrophobicContact CG2-CB 4.38Å; S108-A112 WeakPolarHBondContact O-CB 3.46Å; S108-A112 PolarHBondContact O-N 3.12Å; L109-A112 WeakPolarHBondContact O-CB 3.37Å; L109-A112 PolarHBondContact O-N 2.53Å; L109-A112 VanDerWaalsContact O-N 3.13Å; A112-S114 VanDerWaalsContact C-N 3.33Å; A112-S114 PolarHBondContact O-N 3.32Å; A112-D115 PolarHBondContact O-N 3.49Å; A112-H116 WeakPolarHBondContact O-CB 3.48Å; A112-H116 PolarHBondContact O-CD2 2.97Å; A112-H116 PolarHBondContact O-N 2.96Å
113I98.6Very high97.6Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-52.8-51.4170.9-74.3170.6000110.7L12 L109 K111 K117 A118 I121 H148 I149L12-I113 HydrophobicContact CD1-CG1 4.19Å; L109-I113 WeakPolarHBondContact O-CG1 3.48Å; L109-I113 PolarHBondContact O-N 2.87Å; K111-I113 VanDerWaalsContact C-N 3.26Å; K111-I113 PolarHBondContact O-N 2.86Å; I113-K117 PolarHBondContact O-N 3.44Å; I113-K117 VanDerWaalsContact O-N 3.13Å; I113-A118 HydrophobicContact CB-CB 4.48Å; I113-A118 HydrophobicContact CG2-CB 4.34Å; I113-A118 PolarHBondContact O-N 2.81Å; I113-I121 HydrophobicContact CD1-CB 4.14Å; I113-I121 HydrophobicContact CD1-CD1 3.81Å; I113-I121 HydrophobicContact CD1-CG2 3.91Å; I113-I121 HydrophobicContact CG1-CB 4.35Å; I113-I121 HydrophobicContact CG1-CD1 4Å; I113-H148 VanDerWaalsContact CG2-CE1 3.47Å; I113-H148 WeakPolarHBondContact CG2-CE1 3.49Å; I113-I149 HydrophobicContact CB-CD1 4.41Å; I113-I149 HydrophobicContact CD1-CD1 4.16Å; I113-I149 HydrophobicContact CD1-CG1 4.1Å; I113-I149 HydrophobicContact CG1-CD1 4.05Å; I113-I149 HydrophobicContact CG1-CG1 4.48Å; I113-I149 HydrophobicContact CG2-CD1 3.56Å; I113-I149 HydrophobicContact CG2-CG1 3.74Å; I113-I149 HydrophobicContact CG2-CG2 4.08Å
114S98.2Very high97.8Very high63 Ų6339.6 Ų39.644%0.44121%0.205SC..Hα-helixtrans-67.2-49.2178.7-55.10000111.8K111 A112 H116 K117 H148K111-S114 WeakPolarHBondContact O-CB 3.16Å; K111-S114 PolarHBondContact O-N 2.89Å; A112-S114 VanDerWaalsContact C-N 3.33Å; A112-S114 PolarHBondContact O-N 3.32Å; S114-H116 VanDerWaalsContact C-N 3.29Å; S114-H116 PolarHBondContact O-N 3.32Å; S114-K117 PolarHBondContact O-N 3.43Å; S114-K117 VanDerWaalsContact O-N 3.14Å; S114-H148 PolarHBondContact OG-CE1 2.87Å; S114-H148 VanDerWaalsContact OG-CE1 3.29Å
115D98Very high97.7Very high81 Ų8133.7 Ų33.743%0.43318%0.18SC..Hα-helixtrans-59.9-39.2-175.6-66.1-20.7000112.2K111 A112K111-D115 IonicContact NZ-OD1 3.31Å; K111-D115 PolarHBondContact NZ-OD1 3.23Å; K111-D115 IonicContact NZ-OD2 3.88Å; K111-D115 PolarHBondContact NZ-OD2 2.85Å; K111-D115 VanDerWaalsContact O-CG 3.31Å; K111-D115 PolarHBondContact O-N 3.46Å; A112-D115 PolarHBondContact O-N 3.49Å
116H97.3Very high97.4Very high38 Ų3835.2 Ų35.218%0.17618%0.184CC..THydrogen-bonded Turntrans-95.42.9-179.7-57.6-52.7000113.9T40 F98 H100 A112 S114 A118T40-H116 HydrophobicContact CG2-CB 3.9Å; F98-H116 AromaticContact CD1-CE1 3.79Å; F98-H116 AromaticContact CD2-CE1 3.65Å; F98-H116 AromaticContact CD2-NE2 3.84Å; F98-H116 AromaticContact CE1-CE1 3.86Å; F98-H116 AromaticContact CE2-CE1 3.73Å; F98-H116 AromaticContact CE2-ND1 3.93Å; F98-H116 AromaticContact CG-CE1 3.68Å; F98-H116 AromaticContact CG-NE2 3.89Å; F98-H116 AromaticContact CZ-CE1 3.83Å; H100-H116 AromaticContact NE2-NE2 3.55Å; A112-H116 WeakPolarHBondContact O-CB 3.48Å; A112-H116 PolarHBondContact O-CD2 2.97Å; A112-H116 PolarHBondContact O-N 2.96Å; S114-H116 VanDerWaalsContact C-N 3.29Å; S114-H116 PolarHBondContact O-N 3.32Å; H116-A118 PolarHBondContact O-N 2.89Å
117K97.1Very high96.9Very high169 Ų16936.1 Ų36.174%0.73519%0.193SC*.THydrogen-bonded Turntrans52.242.2-176.9-52.5-179.3-176.7179.70112.7I113 S114I113-K117 PolarHBondContact O-N 3.44Å; I113-K117 VanDerWaalsContact O-N 3.13Å; S114-K117 PolarHBondContact O-N 3.43Å; S114-K117 VanDerWaalsContact O-N 3.14Å
118A98.4Very high96.1Very high6 Ų640 Ų405%0.0521%0.21CC..  trans-60.6141.6179.600000110.9L12 I113 H116 I149L12-A118 HydrophobicContact CB-CB 3.71Å; L12-A118 HydrophobicContact CD1-CB 4.13Å; I113-A118 HydrophobicContact CB-CB 4.48Å; I113-A118 HydrophobicContact CG2-CB 4.34Å; I113-A118 PolarHBondContact O-N 2.81Å; H116-A118 PolarHBondContact O-N 2.89Å; A118-I149 HydrophobicContact CB-CD1 3.79Å
119N98.2Very high94.9Very high79 Ų7943.3 Ų43.342%0.42224%0.244SC..SBendtrans-101.2-27.4175.7-56.2115.4000112.3R9 V10R9-N119 WeakPolarHBondContact CA-OD1 3.33Å; R9-N119 HydrophobicContact CG-CB 3.92Å; V10-N119 PolarHBondContact N-OD1 2.93Å; V10-N119 PolarHBondContact O-N 3.23Å
120V98.5Very high93.2Very high16 Ų1645.3 Ų45.310%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-141.1139.9170.4-176.10000108V10 I11 L12 M32 P150 V152V10-V120 PolarHBondContact O-N 3.46Å; I11-V120 HydrophobicContact CD1-CB 4.02Å; I11-V120 HydrophobicContact CD1-CG2 4.39Å; L12-V120 PolarHBondContact N-O 3.46Å; M32-V120 HydrophobicContact CE-CB 3.95Å; M32-V120 HydrophobicContact CE-CG1 3.88Å; M32-V120 HydrophobicContact CE-CG2 3.84Å; V120-P150 HydrophobicContact CG1-CB 4.47Å; V120-P150 WeakPolarHBondContact CG1-O 3.37Å; V120-P150 HydrophobicContact CG2-CB 4.42Å; V120-V152 HydrophobicContact CG1-CG2 3.68Å
121I98.8Very high91.9Very high0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-104.5129.5166-175.6166.2000109.3L12 P14 I113 V143 I149 P150 V151 V152L12-I121 HydrophobicContact CB-CB 4.5Å; L12-I121 HydrophobicContact CB-CG1 4.42Å; L12-I121 HydrophobicContact CD2-CD1 3.84Å; L12-I121 HydrophobicContact CD2-CG1 4.08Å; L12-I121 WeakPolarHBondContact O-CA 3.28Å; P14-I121 HydrophobicContact CG-CD1 3.83Å; P14-I121 HydrophobicContact CG-CG1 4.09Å; I113-I121 HydrophobicContact CD1-CB 4.14Å; I113-I121 HydrophobicContact CD1-CD1 3.81Å; I113-I121 HydrophobicContact CD1-CG2 3.91Å; I113-I121 HydrophobicContact CG1-CB 4.35Å; I113-I121 HydrophobicContact CG1-CD1 4Å; I121-V143 HydrophobicContact CD1-CG1 3.87Å; I121-V143 HydrophobicContact CG2-CG1 4.04Å; I121-I149 HydrophobicContact CB-CD1 4.2Å; I121-I149 HydrophobicContact CG2-CD1 4.26Å; I121-I149 HydrophobicContact CG2-CG1 4.31Å; I121-P150 PolarHBondContact N-O 2.88Å; I121-P150 VanDerWaalsContact N-O 3.1Å; I121-V151 HydrophobicContact CG2-CB 4.14Å; I121-V151 HydrophobicContact CG2-CG1 4.13Å; I121-V151 HydrophobicContact CG2-CG2 3.74Å; I121-V151 WeakPolarHBondContact O-CA 3.49Å; I121-V152 PolarHBondContact O-N 2.78Å
122L98.6Very high90.5Very high0 Ų055.5 Ų55.50%030%0.301CS..EExtended strand (participates in β ladder)trans-120.1126-178.6170.185.5000108.8I11 L12 I13 P14 A24 W27 Y28 V152 V154I11-L122 HydrophobicContact CG2-CB 4.35Å; L12-L122 PolarHBondContact O-N 3.33Å; I13-L122 WeakPolarHBondContact CA-O 3.5Å; I13-L122 HydrophobicContact CD1-CD2 3.78Å; I13-L122 HydrophobicContact CG1-CB 4.35Å; I13-L122 HydrophobicContact CG1-CD2 4.05Å; P14-L122 WeakPolarHBondContact CD-O 3.3Å; A24-L122 WeakPolarHBondContact O-CD2 3.28Å; W27-L122 HydrophobicContact CE3-CD1 3.83Å; W27-L122 HydrophobicContact CZ3-CD1 4.03Å; Y28-L122 HydrophobicContact CG-CD2 4.09Å; L122-V152 WeakPolarHBondContact CA-O 3.48Å; L122-V152 HydrophobicContact CD1-CB 3.75Å; L122-V152 HydrophobicContact CD1-CG1 3.53Å; L122-V154 HydrophobicContact CD1-CG2 3.73Å
123M97.6Very high89.4Confident12 Ų1266.8 Ų66.86%0.05934%0.344CS..EExtended strand (participates in β ladder)trans-148.3158.4-179.965.4-162.4-50.100112.7P14 L109 V139 V143 V152 I153 V154P14-M123 HydrophobicContact CB-CE 4.5Å; P14-M123 HydrophobicContact CG-CB 4.12Å; P14-M123 HydrophobicContact CG-CE 4.15Å; L109-M123 HydrophobicContact CD1-CE 4.35Å; M123-V139 HydrophobicContact CE-CG1 4.2Å; M123-V143 HydrophobicContact CE-CG2 4.34Å; M123-V143 HydrophobicContact SD-CB 4Å; M123-V143 HydrophobicContact SD-CG1 3.83Å; M123-V143 HydrophobicContact SD-CG2 4.37Å; M123-V152 PolarHBondContact N-O 2.85Å; M123-I153 HydrophobicContact CG-CD1 3.48Å; M123-I153 VanDerWaalsContact CG-CD1 3.48Å; M123-I153 WeakPolarHBondContact O-CA 3.28Å; M123-I153 HydrophobicContact SD-CD1 3.86Å; M123-V154 PolarHBondContact O-N 3.18Å
124G95.9Very high88.3Confident7 Ų769.8 Ų69.87%0.07236%0.363CS..EExtended strand (participates in β ladder)trans-63.1150.3166.700000110.9H20 R126H20-G124 WeakPolarHBondContact O-CA 3.33Å; G124-R126 PolarHBondContact O-N 2.96Å; G124-R126 VanDerWaalsContact O-N 3.16Å
125N93Very high87.6Confident14 Ų1475.5 Ų75.58%0.07538%0.38CS..SBendtrans-60.1-23.517474.3-60.4000113.4F135 L136 G137 S140 I153 V154 P156N125-F135 PolarHBondContact ND2-O 3.46Å; N125-L136 HydrophobicContact CB-CD1 4.2Å; N125-L136 CarbonylContact O-C 3.57Å; N125-L136 WeakPolarHBondContact O-CD1 3.29Å; N125-G137 PolarHBondContact O-N 2.77Å; N125-S140 PolarHBondContact O-OG 3.37Å; N125-I153 HydrophobicContact CB-CG2 3.63Å; N125-V154 PolarHBondContact N-O 3.26Å; N125-V154 PolarHBondContact OD1-O 3.31Å; N125-P156 WeakPolarHBondContact OD1-CD 3.36Å
126R89.4Confident87.1Confident47 Ų4773.4 Ų73.418%0.17737%0.369CS..  trans-140.1168178.5-77.7174.5168.5167.3-4.9109.5H20 G124 I131 T134 F135H20-R126 WeakPolarHBondContact CB-O 3.5Å; G124-R126 PolarHBondContact O-N 2.96Å; G124-R126 VanDerWaalsContact O-N 3.16Å; R126-I131 PolarHBondContact NH2-O 3.28Å; R126-T134 PolarHBondContact NE-OG1 3.31Å; R126-T134 PolarHBondContact NH2-OG1 3.04Å; R126-F135 PolarHBondContact NE-O 2.92Å; R126-F135 VanDerWaalsContact NE-O 3.16Å
127G85.7Confident86.9Confident25 Ų2572.4 Ų72.426%0.25837%0.368SS..  trans-123.3-153.6169.100000111.7D16 G129D16-G127 VanDerWaalsContact OD2-C 3.27Å; D16-G127 WeakPolarHBondContact OD2-CA 3.38Å; G127-G129 VanDerWaalsContact C-N 3.34Å; G127-G129 PolarHBondContact O-N 3.47Å
128L81.7Confident86.7Confident131 Ų13169.1 Ų69.169%0.68637%0.367SS*.THydrogen-bonded Turntrans-52.9-40.9-179.3-62.7176.4000114.6D16 A130D16-L128 HydrophobicContact CB-CG 4.48Å; D16-L128 WeakPolarHBondContact O-CD1 3.1Å; D16-L128 PolarHBondContact OD2-N 2.86Å; L128-A130 VanDerWaalsContact C-N 3.32Å; L128-A130 PolarHBondContact O-N 3.1Å; L128-A130 VanDerWaalsContact O-N 3.1Å
129G73.4Confident86.6Confident73 Ų7371 Ų7175%0.75338%0.377SS*.THydrogen-bonded Turntrans-83.335.5-170.500000116.9G127 I131G127-G129 VanDerWaalsContact C-N 3.34Å; G127-G129 PolarHBondContact O-N 3.47Å; G129-I131 PolarHBondContact O-N 3.09Å
130A63.9Low86.4Confident47 Ų4767.4 Ų67.439%0.38836%0.358SS..  trans-6691.7-165.300000116L128 R132L128-A130 VanDerWaalsContact C-N 3.32Å; L128-A130 PolarHBondContact O-N 3.1Å; L128-A130 VanDerWaalsContact O-N 3.1Å; A130-R132 PolarHBondContact O-N 2.88Å
131I70.7Confident86.3Confident119 Ų11970 Ų7061%0.6137%0.371SS*.  trans-62.1122.7168-58.9174.7000109.8R126 G129 R133 T134R126-I131 PolarHBondContact NH2-O 3.28Å; G129-I131 PolarHBondContact O-N 3.09Å; I131-R133 PolarHBondContact O-N 2.86Å; I131-T134 HydrophobicContact CB-CG2 3.91Å; I131-T134 HydrophobicContact CG2-CG2 4.01Å; I131-T134 PolarHBondContact O-N 3.45Å; I131-T134 PolarHBondContact O-OG1 3.27Å
132R68.8Low86.3Confident238 Ų23874 Ų7490%0.89839%0.387SS*.THydrogen-bonded Turntrans-53.8-29.1-170.3-69-173.9177.5-175.4-0.2115.2A130A130-R132 PolarHBondContact O-N 2.88Å
133R74.9Confident86.3Confident237 Ų23774 Ų7489%0.89439%0.387SS*.THydrogen-bonded Turntrans-88.1-9.4-169.3-65.5-176.8-179.4167.51117.4I131I131-R133 PolarHBondContact O-N 2.86Å
134T76.9Confident86.3Confident64 Ų6477.4 Ų77.439%0.39341%0.405SS..  trans-94-12.2-157.2650000119.3R126 I131 L136R126-T134 PolarHBondContact NE-OG1 3.31Å; R126-T134 PolarHBondContact NH2-OG1 3.04Å; I131-T134 HydrophobicContact CB-CG2 3.91Å; I131-T134 HydrophobicContact CG2-CG2 4.01Å; I131-T134 PolarHBondContact O-N 3.45Å; I131-T134 PolarHBondContact O-OG1 3.27Å; T134-L136 VanDerWaalsContact C-N 3.25Å; T134-L136 VanDerWaalsContact CB-O 3.25Å; T134-L136 WeakPolarHBondContact CB-O 3.38Å; T134-L136 PolarHBondContact O-N 3.42Å; T134-L136 PolarHBondContact OG1-O 3.16Å
135F82.2Confident86.4Confident183 Ų18383.3 Ų83.380%0.80343%0.431SS*.SBendtrans56.5-71.3-159.6-59.3-82.1000115.2N125 R126N125-F135 PolarHBondContact ND2-O 3.46Å; R126-F135 PolarHBondContact NE-O 2.92Å; R126-F135 VanDerWaalsContact NE-O 3.16Å
136L88.9Confident86.6Confident37 Ų3787.3 Ų87.319%0.19445%0.449CS..SBendtrans-86.7159.6178-157.458.2000110.6N125 T134 D141 L144 I153N125-L136 HydrophobicContact CB-CD1 4.2Å; N125-L136 CarbonylContact O-C 3.57Å; N125-L136 WeakPolarHBondContact O-CD1 3.29Å; T134-L136 VanDerWaalsContact C-N 3.25Å; T134-L136 VanDerWaalsContact CB-O 3.25Å; T134-L136 WeakPolarHBondContact CB-O 3.38Å; T134-L136 PolarHBondContact O-N 3.42Å; T134-L136 PolarHBondContact OG1-O 3.16Å; L136-D141 VanDerWaalsContact CD2-CA 3.48Å; L136-D141 HydrophobicContact CD2-CB 3.72Å; L136-D141 HydrophobicContact CG-CB 4.02Å; L136-L144 HydrophobicContact CD2-CD2 3.94Å; L136-I153 HydrophobicContact CD1-CG2 3.8Å
137G91.8Very high87.1Confident16 Ų1686.2 Ų86.217%0.16545%0.448CS..  trans-95.6158.3174.100000111.2N125 V139 S140 D141N125-G137 PolarHBondContact O-N 2.77Å; G137-V139 VanDerWaalsContact C-N 3.29Å; G137-V139 PolarHBondContact O-N 3.22Å; G137-S140 PolarHBondContact N-OG 3.3Å; G137-S140 VanDerWaalsContact N-OG 3.16Å; G137-S140 PolarHBondContact O-N 2.89Å; G137-S140 PolarHBondContact O-OG 3.11Å; G137-S140 VanDerWaalsContact O-OG 3.08Å; G137-D141 WeakPolarHBondContact O-CB 3.46Å; G137-D141 PolarHBondContact O-N 2.71Å
138S93.2Very high87.7Confident101 Ų10191.1 Ų91.171%0.70646%0.464SS*.Hα-helixtrans-55.6-41.4-179.1490000113.3Y142S138-Y142 VanDerWaalsContact O-CB 3.3Å; S138-Y142 WeakPolarHBondContact O-CB 3.42Å; S138-Y142 PolarHBondContact O-N 3.27Å
139V95.8Very high88.5Confident45 Ų4586.1 Ų86.127%0.27344%0.438SS..Hα-helixtrans-71.6-44.2-178.7-175.80000111.9P105 L109 M123 G137 Y142 V143P105-V139 HydrophobicContact CB-CG1 4.08Å; P105-V139 HydrophobicContact CB-CG2 3.95Å; L109-V139 HydrophobicContact CD1-CG1 3.57Å; M123-V139 HydrophobicContact CE-CG1 4.2Å; G137-V139 VanDerWaalsContact C-N 3.29Å; G137-V139 PolarHBondContact O-N 3.22Å; V139-Y142 PolarHBondContact O-N 3.37Å; V139-V143 WeakPolarHBondContact O-CB 3.4Å; V139-V143 VanDerWaalsContact O-CG2 3.3Å; V139-V143 WeakPolarHBondContact O-CG2 3.49Å; V139-V143 PolarHBondContact O-N 2.97Å
140S96Very high89.7Confident3 Ų386.8 Ų86.82%0.02143%0.429CS..Hα-helixtrans-70.5-36.3178.741.10000112.5N125 G137 L144N125-S140 PolarHBondContact O-OG 3.37Å; G137-S140 PolarHBondContact N-OG 3.3Å; G137-S140 VanDerWaalsContact N-OG 3.16Å; G137-S140 PolarHBondContact O-N 2.89Å; G137-S140 PolarHBondContact O-OG 3.11Å; G137-S140 VanDerWaalsContact O-OG 3.08Å; S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.45Å; S140-L144 PolarHBondContact O-N 3.47Å
141D96Very high91.3Very high70 Ų7086.1 Ų86.137%0.37442%0.42SS..Hα-helixtrans-63.5-46.5171.7-175.377.8000111.8L136 G137 V143 L144 H145L136-D141 VanDerWaalsContact CD2-CA 3.48Å; L136-D141 HydrophobicContact CD2-CB 3.72Å; L136-D141 HydrophobicContact CG-CB 4.02Å; G137-D141 WeakPolarHBondContact O-CB 3.46Å; G137-D141 PolarHBondContact O-N 2.71Å; D141-V143 PolarHBondContact O-N 2.98Å; D141-L144 PolarHBondContact O-N 2.93Å; D141-H145 PolarHBondContact O-N 3.21Å; D141-H145 PolarHBondContact O-ND1 3.04Å; D141-H145 IonicContact OD1-CE1 3.81Å; D141-H145 PolarHBondContact OD1-CE1 2.87Å; D141-H145 VanDerWaalsContact OD1-CE1 3.31Å; D141-H145 IonicContact OD1-ND1 2.61Å; D141-H145 IonicContact OD2-CE1 2.75Å; D141-H145 IonicContact OD2-ND1 2.79Å
142Y97.9Very high92.6Very high86 Ų8682.2 Ų82.234%0.33740%0.401SS..Hα-helixtrans-60.6-48.3176.1-171.4-79.9000111.7G106 V110 S138 V139 L144 H145 H146G106-Y142 VanDerWaalsContact C-CE1 3.44Å; G106-Y142 WeakPolarHBondContact O-CD1 3.27Å; V110-Y142 HydrophobicContact CG2-CD1 4.29Å; V110-Y142 HydrophobicContact CG2-CE1 4.17Å; S138-Y142 VanDerWaalsContact O-CB 3.3Å; S138-Y142 WeakPolarHBondContact O-CB 3.42Å; S138-Y142 PolarHBondContact O-N 3.27Å; V139-Y142 PolarHBondContact O-N 3.37Å; Y142-L144 VanDerWaalsContact C-N 3.33Å; Y142-L144 PolarHBondContact O-N 2.91Å; Y142-H145 PolarHBondContact O-N 3.38Å; Y142-H146 HydrophobicContact CD1-CB 4.46Å; Y142-H146 AromaticContact CD1-ND1 3.77Å; Y142-H146 AromaticContact CD2-CE1 3.84Å; Y142-H146 AromaticContact CD2-ND1 3.94Å; Y142-H146 HydrophobicContact CE1-CB 4.14Å; Y142-H146 AromaticContact CE1-CG 3.89Å; Y142-H146 AromaticContact CE1-ND1 3.74Å; Y142-H146 AromaticContact CE2-CE1 3.63Å; Y142-H146 AromaticContact CE2-ND1 3.91Å; Y142-H146 AromaticContact CG-ND1 3.87Å; Y142-H146 AromaticContact CZ-CE1 3.86Å; Y142-H146 AromaticContact CZ-ND1 3.81Å; Y142-H146 PolarHBondContact O-N 3.2Å; Y142-H146 PolarHBondContact O-ND1 3.33Å
143V98.5Very high94Very high0 Ų073 Ų730%037%0.37CS..Hα-helixtrans-60-43.2177.8165.50000111.2L109 V110 I121 M123 V139 D141 H145 H146 S147 V151L109-V143 HydrophobicContact CB-CG2 3.95Å; L109-V143 HydrophobicContact CD1-CG2 4.14Å; V110-V143 HydrophobicContact CG2-CG2 4.39Å; I121-V143 HydrophobicContact CD1-CG1 3.87Å; I121-V143 HydrophobicContact CG2-CG1 4.04Å; M123-V143 HydrophobicContact CE-CG2 4.34Å; M123-V143 HydrophobicContact SD-CB 4Å; M123-V143 HydrophobicContact SD-CG1 3.83Å; M123-V143 HydrophobicContact SD-CG2 4.37Å; V139-V143 WeakPolarHBondContact O-CB 3.4Å; V139-V143 VanDerWaalsContact O-CG2 3.3Å; V139-V143 WeakPolarHBondContact O-CG2 3.49Å; V139-V143 PolarHBondContact O-N 2.97Å; D141-V143 PolarHBondContact O-N 2.98Å; V143-H145 VanDerWaalsContact C-N 3.29Å; V143-H145 PolarHBondContact O-N 2.87Å; V143-H146 PolarHBondContact O-N 2.91Å; V143-S147 WeakPolarHBondContact O-CB 3.35Å; V143-S147 PolarHBondContact O-N 3.22Å; V143-V151 HydrophobicContact CG1-CG1 4.17Å; V143-V151 HydrophobicContact CG1-CG2 4.27Å
144L97.7Very high95Very high83 Ų8362.1 Ų62.144%0.43533%0.329SS..Hα-helixtrans-59.3-38.1179.7-177.162.9000112.7L136 S140 D141 Y142 V151L136-L144 HydrophobicContact CD2-CD2 3.94Å; S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.45Å; S140-L144 PolarHBondContact O-N 3.47Å; D141-L144 PolarHBondContact O-N 2.93Å; Y142-L144 VanDerWaalsContact C-N 3.33Å; Y142-L144 PolarHBondContact O-N 2.91Å; L144-V151 HydrophobicContact CD1-CB 4.11Å; L144-V151 HydrophobicContact CD1-CG1 4.21Å
145H98.1Very high95.8Very high130 Ų13062.9 Ų62.960%0.60234%0.336SS*.Hα-helixtrans-83.2-19.3-179.4-70.396.7000114.8D141 Y142 V143D141-H145 PolarHBondContact O-N 3.21Å; D141-H145 PolarHBondContact O-ND1 3.04Å; D141-H145 IonicContact OD1-CE1 3.81Å; D141-H145 PolarHBondContact OD1-CE1 2.87Å; D141-H145 VanDerWaalsContact OD1-CE1 3.31Å; D141-H145 IonicContact OD1-ND1 2.61Å; D141-H145 IonicContact OD2-CE1 2.75Å; D141-H145 IonicContact OD2-ND1 2.79Å; Y142-H145 PolarHBondContact O-N 3.38Å; V143-H145 VanDerWaalsContact C-N 3.29Å; V143-H145 PolarHBondContact O-N 2.87Å
146H98.5Very high96.2Very high98 Ų9857.5 Ų57.545%0.45432%0.319SS..Hα-helixtrans-121-6-171.3-60.587.7000114.5V110 Y142 V143V110-H146 HydrophobicContact CG1-CB 4.37Å; V110-H146 HydrophobicContact CG2-CB 3.88Å; Y142-H146 HydrophobicContact CD1-CB 4.46Å; Y142-H146 AromaticContact CD1-ND1 3.77Å; Y142-H146 AromaticContact CD2-CE1 3.84Å; Y142-H146 AromaticContact CD2-ND1 3.94Å; Y142-H146 HydrophobicContact CE1-CB 4.14Å; Y142-H146 AromaticContact CE1-CG 3.89Å; Y142-H146 AromaticContact CE1-ND1 3.74Å; Y142-H146 AromaticContact CE2-CE1 3.63Å; Y142-H146 AromaticContact CE2-ND1 3.91Å; Y142-H146 AromaticContact CG-ND1 3.87Å; Y142-H146 AromaticContact CZ-CE1 3.86Å; Y142-H146 AromaticContact CZ-ND1 3.81Å; Y142-H146 PolarHBondContact O-N 3.2Å; Y142-H146 PolarHBondContact O-ND1 3.33Å; V143-H146 PolarHBondContact O-N 2.91Å
147S98.4Very high95.9Very high24 Ų2463.6 Ų63.617%0.16835%0.347CS..  trans-70.4134.2175.3-178.80000111.6V143 I149V143-S147 WeakPolarHBondContact O-CB 3.35Å; V143-S147 PolarHBondContact O-N 3.22Å; S147-I149 VanDerWaalsContact OG-CG1 3.26Å; S147-I149 WeakPolarHBondContact OG-CG1 3.35Å; S147-I149 PolarHBondContact OG-N 2.83Å; S147-I149 VanDerWaalsContact OG-N 3.13Å; S147-I149 PolarHBondContact OG-O 2.94Å
148H98.1Very high95.2Very high129 Ų12971.5 Ų71.560%0.59738%0.379SS*.SBendtrans-93.34.8170.462.3-86.5000112.9I113 S114I113-H148 VanDerWaalsContact CG2-CE1 3.47Å; I113-H148 WeakPolarHBondContact CG2-CE1 3.49Å; S114-H148 PolarHBondContact OG-CE1 2.87Å; S114-H148 VanDerWaalsContact OG-CE1 3.29Å
149I98.6Very high94Very high25 Ų2576.2 Ų76.213%0.12839%0.387CS..SBendtrans-122.6161.5175.566.1165.4000110.7I113 A118 I121 S147 V151I113-I149 HydrophobicContact CB-CD1 4.41Å; I113-I149 HydrophobicContact CD1-CD1 4.16Å; I113-I149 HydrophobicContact CD1-CG1 4.1Å; I113-I149 HydrophobicContact CG1-CD1 4.05Å; I113-I149 HydrophobicContact CG1-CG1 4.48Å; I113-I149 HydrophobicContact CG2-CD1 3.56Å; I113-I149 HydrophobicContact CG2-CG1 3.74Å; I113-I149 HydrophobicContact CG2-CG2 4.08Å; A118-I149 HydrophobicContact CB-CD1 3.79Å; I121-I149 HydrophobicContact CB-CD1 4.2Å; I121-I149 HydrophobicContact CG2-CD1 4.26Å; I121-I149 HydrophobicContact CG2-CG1 4.31Å; S147-I149 VanDerWaalsContact OG-CG1 3.26Å; S147-I149 WeakPolarHBondContact OG-CG1 3.35Å; S147-I149 PolarHBondContact OG-N 2.83Å; S147-I149 VanDerWaalsContact OG-N 3.13Å; S147-I149 PolarHBondContact OG-O 2.94Å; I149-V151 PolarHBondContact O-N 3.31Å
150P98.4Very high91.5Very high87 Ų8786.6 Ų86.657%0.56543%0.432SS*.  trans-51.6132.7172.2-28.235.8000113.2V120 I121V120-P150 HydrophobicContact CG1-CB 4.47Å; V120-P150 WeakPolarHBondContact CG1-O 3.37Å; V120-P150 HydrophobicContact CG2-CB 4.42Å; I121-P150 PolarHBondContact N-O 2.88Å; I121-P150 VanDerWaalsContact N-O 3.1Å
151V98.6Very high91.3Very high33 Ų3390.8 Ų90.820%0.245%0.453CS..EExtended strand (participates in β ladder)trans-111123.9177.8-176.30000108.6I121 V143 L144 I149 I153I121-V151 HydrophobicContact CG2-CB 4.14Å; I121-V151 HydrophobicContact CG2-CG1 4.13Å; I121-V151 HydrophobicContact CG2-CG2 3.74Å; I121-V151 WeakPolarHBondContact O-CA 3.49Å; V143-V151 HydrophobicContact CG1-CG1 4.17Å; V143-V151 HydrophobicContact CG1-CG2 4.27Å; L144-V151 HydrophobicContact CD1-CB 4.11Å; L144-V151 HydrophobicContact CD1-CG1 4.21Å; I149-V151 PolarHBondContact O-N 3.31Å; V151-I153 HydrophobicContact CG1-CD1 3.55Å; V151-I153 HydrophobicContact CG1-CG1 4.01Å
152V98.3Very high91Very high37 Ų3791.8 Ų91.822%0.22446%0.457CS..EExtended strand (participates in β ladder)trans-107.8111.2174.9-176.20000108.8W27 V120 I121 L122 M123 V154W27-V152 HydrophobicContact CE3-CG1 4.33Å; W27-V152 HydrophobicContact CH2-CG1 4Å; W27-V152 HydrophobicContact CZ3-CG1 3.71Å; V120-V152 HydrophobicContact CG1-CG2 3.68Å; I121-V152 PolarHBondContact O-N 2.78Å; L122-V152 WeakPolarHBondContact CA-O 3.48Å; L122-V152 HydrophobicContact CD1-CB 3.75Å; L122-V152 HydrophobicContact CD1-CG1 3.53Å; M123-V152 PolarHBondContact N-O 2.85Å; V152-V154 HydrophobicContact CG1-CG2 4.49Å
153I97.7Very high90.6Very high46 Ų4692.2 Ų92.224%0.23646%0.464CS..EExtended strand (participates in β ladder)trans-99.6120.3178.1-58.1-56.4000109.6M123 N125 L136 V151 P155M123-I153 HydrophobicContact CG-CD1 3.48Å; M123-I153 VanDerWaalsContact CG-CD1 3.48Å; M123-I153 WeakPolarHBondContact O-CA 3.28Å; M123-I153 HydrophobicContact SD-CD1 3.86Å; N125-I153 HydrophobicContact CB-CG2 3.63Å; L136-I153 HydrophobicContact CD1-CG2 3.8Å; V151-I153 HydrophobicContact CG1-CD1 3.55Å; V151-I153 HydrophobicContact CG1-CG1 4.01Å; I153-P155 WeakPolarHBondContact O-CD 3.43Å
154V96.6Very high90.2Very high7 Ų797.6 Ų97.64%0.04249%0.491CS..EExtended strand (participates in β ladder)trans-98.5106.1-179.9-174.60000110.7R23 A24 W27 L122 M123 N125 V152R23-V154 HydrophobicContact CG-CG1 4.41Å; R23-V154 PolarHBondContact NH2-O 3.29Å; A24-V154 HydrophobicContact CB-CB 3.93Å; A24-V154 HydrophobicContact CB-CG2 3.94Å; W27-V154 HydrophobicContact CB-CG1 3.91Å; W27-V154 HydrophobicContact CB-CG2 4.17Å; W27-V154 HydrophobicContact CD2-CG2 4.11Å; W27-V154 HydrophobicContact CE3-CG2 4.1Å; W27-V154 HydrophobicContact CG-CG1 4.09Å; W27-V154 HydrophobicContact CG-CG2 4.14Å; L122-V154 HydrophobicContact CD1-CG2 3.73Å; M123-V154 PolarHBondContact O-N 3.18Å; N125-V154 PolarHBondContact N-O 3.26Å; N125-V154 PolarHBondContact OD1-O 3.31Å; V152-V154 HydrophobicContact CG1-CG2 4.49Å
155P93.6Very high89.7Confident81 Ų8198.5 Ų98.553%0.52649%0.494SS..PPolyproline II helixtrans-66.5167.3178.430.8-36.5000111.6R23 I153R23-P155 PolarHBondContact NE-O 3.26Å; R23-P155 PolarHBondContact NH2-O 3.1Å; I153-P155 WeakPolarHBondContact O-CD 3.43Å
156P88.9Confident89.1Confident70 Ų7096.4 Ų96.446%0.45549%0.487SS..PPolyproline II helixtrans-56.4151.7163.428.9-36.7000110.4N125N125-P156 WeakPolarHBondContact OD1-CD 3.36Å
157Q83.1Confident88.5Confident165 Ų16596.3 Ų96.377%0.77149%0.49SS*.PPolyproline II helixtrans-62.2147.5164.1-75.1172.8-62.700109.2K159Q157-K159 PolarHBondContact O-N 2.75Å
158E78.3Confident87.7Confident181 Ų181101.8 Ų101.885%0.84651%0.514SS*.PPolyproline II helixtrans-57.6135.1170.6-173.6164.3-142.500109.4Q160E158-Q160 PolarHBondContact O-N 2.69Å
159K67.4Low86.8Confident201 Ų20199.6 Ų99.687%0.87451%0.508SS*.  trans-76110.1169.5-70.6-173.5175.5-170.20107.1Q157Q157-K159 PolarHBondContact O-N 2.75Å
160Q42.6Very low85.8Confident262 Ų262106.4 Ų106.4100%1.22454%0.542SS*.  trans-65.60161.7-62.6-165.3-24.700110.4E158E158-Q160 PolarHBondContact O-N 2.69Å

Retrieved 160 of 160 residues in 87.3 ms (Link to these results)

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