A0A077Z508_TRITR Loading...

Flavodoxin 1 domain containing protein

AlphaFold DB (P03817), UniProt , Accession A0A077Z508, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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
1M50.2Low82.8Confident229 Ų22939 Ų39100%1.12821%0.214SC*.  0123.40-83.5171.8170.700105.1
2A65.9Low82.2Confident26 Ų2648.8 Ų48.822%0.21526%0.264CS..  trans-62.8139174.900000109.3I4 T32 E34A2-I4 VanDerWaalsContact C-N 3.34Å; A2-T32 CarbonylContact C-O 3.49Å; A2-T32 HydrophobicContact CB-CG2 4.28Å; A2-E34 HydrophobicContact CB-CB 3.71Å
3D82.6Confident82Confident85 Ų8545.9 Ų45.946%0.45525%0.253SS..SBendtrans-73.6-34.5173.2-70.7-88.1000110.1F31 T32 I49D3-F31 HydrophobicContact CB-CD1 4.35Å; D3-T32 PolarHBondContact N-O 3.05Å; D3-I49 PolarHBondContact O-N 3.33Å
4I90.7Very high82Confident0 Ų044.9 Ų44.90%026%0.259CS..EExtended strand (participates in β ladder)trans-132.4122.1-174.8-53.3168.7000110.4A2 L6 L26 F31 T32 T33 E34 I49 L51 W142 L146A2-I4 VanDerWaalsContact C-N 3.34Å; I4-L6 HydrophobicContact CG2-CD1 4.32Å; I4-L26 HydrophobicContact CB-CD1 4.4Å; I4-L26 HydrophobicContact CD1-CD1 3.94Å; I4-L26 HydrophobicContact CD1-CD2 3.62Å; I4-L26 HydrophobicContact CD1-CG 4.29Å; I4-L26 HydrophobicContact CG2-CD1 3.95Å; I4-F31 HydrophobicContact CD1-CB 3.92Å; I4-F31 HydrophobicContact CD1-CD1 4.01Å; I4-F31 HydrophobicContact CD1-CG 3.92Å; I4-T32 PolarHBondContact N-O 2.84Å; I4-T32 VanDerWaalsContact N-O 3.14Å; I4-T33 HydrophobicContact CB-CG2 4.27Å; I4-T33 CarbonylContact O-C 3.57Å; I4-T33 VanDerWaalsContact O-CA 3.24Å; I4-T33 WeakPolarHBondContact O-CA 3.49Å; I4-E34 PolarHBondContact O-N 3.13Å; I4-I49 CarbonylContact C-O 3.58Å; I4-I49 VanDerWaalsContact CA-O 3.27Å; I4-I49 WeakPolarHBondContact CA-O 3.42Å; I4-I49 HydrophobicContact CG1-CB 4.09Å; I4-I49 HydrophobicContact CG1-CD1 4.06Å; I4-I49 HydrophobicContact CG1-CG2 4.32Å; I4-I49 HydrophobicContact CG2-CG2 4.27Å; I4-L51 HydrophobicContact CG2-CB 4.49Å; I4-W142 HydrophobicContact CD1-CZ3 4.39Å; I4-W142 HydrophobicContact CG2-CH2 4.2Å; I4-W142 HydrophobicContact CG2-CZ3 4.33Å; I4-L146 HydrophobicContact CD1-CD1 4.16Å
5T92.6Very high82.3Confident3 Ų341.9 Ų41.92%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-102.1116.5176.3-53.10000110I7 E34 L36 L44 I49 W50 L51T5-I7 HydrophobicContact CG2-CG1 4.38Å; T5-E34 CarbonylContact C-O 3.58Å; T5-E34 WeakPolarHBondContact CA-O 3.18Å; T5-L36 HydrophobicContact CG2-CD1 3.68Å; T5-L36 HydrophobicContact CG2-CG 4.39Å; T5-L44 HydrophobicContact CG2-CD2 3.49Å; T5-L44 VanDerWaalsContact CG2-CD2 3.49Å; T5-I49 PolarHBondContact N-O 2.85Å; T5-W50 CarbonylContact O-C 3.43Å; T5-W50 VanDerWaalsContact O-CA 3.27Å; T5-W50 WeakPolarHBondContact O-CA 3.31Å; T5-L51 PolarHBondContact O-N 3.35Å
6L92.7Very high82.7Confident0 Ų042.7 Ų42.70%024%0.242CC..EExtended strand (participates in β ladder)trans-92.7115.5178.2-64.792.3000109.6I4 A19 L22 A23 L26 T33 E34 T35 L36 L51 I53I4-L6 HydrophobicContact CG2-CD1 4.32Å; L6-A19 VanDerWaalsContact CD2-O 3.26Å; L6-A19 WeakPolarHBondContact CD2-O 3.44Å; L6-L22 HydrophobicContact CD2-CB 3.9Å; L6-A23 HydrophobicContact CD1-CB 4.03Å; L6-A23 HydrophobicContact CD2-CB 4.06Å; L6-L26 HydrophobicContact CD1-CD1 4.14Å; L6-L26 HydrophobicContact CD2-CD1 4.33Å; L6-T33 VanDerWaalsContact CD1-CB 3.48Å; L6-T33 HydrophobicContact CD1-CG2 3.68Å; L6-E34 PolarHBondContact N-O 3.33Å; L6-T35 HydrophobicContact CB-CG2 3.97Å; L6-T35 HydrophobicContact CD1-CG2 4.32Å; L6-T35 CarbonylContact O-C 3.53Å; L6-T35 WeakPolarHBondContact O-CA 3.21Å; L6-L36 PolarHBondContact O-N 3.33Å; L6-L51 CarbonylContact C-O 3.54Å; L6-L51 WeakPolarHBondContact CA-O 3.33Å; L6-L51 HydrophobicContact CD2-CD2 3.83Å; L6-L51 HydrophobicContact CG-CB 4.19Å; L6-L51 HydrophobicContact CG-CD2 4.22Å; L6-I53 HydrophobicContact CB-CD1 4.31Å; L6-I53 HydrophobicContact CD2-CD1 4.41Å
7I92.6Very high83Confident0 Ų049.3 Ų49.30%026%0.264CS..EExtended strand (participates in β ladder)trans-103.3109.5-179.7-59.3173.4000106.8T5 L36 P39 L44 W50 L51 V52 I53 L66 F69T5-I7 HydrophobicContact CG2-CG1 4.38Å; I7-L36 WeakPolarHBondContact CA-O 3.08Å; I7-P39 HydrophobicContact CB-CG 4.41Å; I7-P39 HydrophobicContact CG1-CG 4.07Å; I7-P39 HydrophobicContact CG2-CG 3.8Å; I7-L44 HydrophobicContact CD1-CD1 3.51Å; I7-L44 HydrophobicContact CD1-CD2 3.8Å; I7-L44 HydrophobicContact CD1-CG 4.32Å; I7-L44 HydrophobicContact CG1-CD1 4.32Å; I7-L44 HydrophobicContact CG1-CD2 3.96Å; I7-W50 HydrophobicContact CD1-CB 4.37Å; I7-W50 HydrophobicContact CD1-CD2 4.19Å; I7-W50 HydrophobicContact CD1-CE3 4.08Å; I7-W50 HydrophobicContact CD1-CG 4.34Å; I7-L51 PolarHBondContact N-O 3.15Å; I7-V52 HydrophobicContact CB-CG2 4.35Å; I7-V52 HydrophobicContact CD1-CG2 4.22Å; I7-V52 CarbonylContact O-C 3.4Å; I7-V52 WeakPolarHBondContact O-CA 3.26Å; I7-I53 PolarHBondContact O-N 3.38Å; I7-L66 HydrophobicContact CG2-CD1 3.85Å; I7-F69 HydrophobicContact CD1-CZ 4.08Å
8S91.6Very high83.4Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-104.3136.1176.6690000111.7L36 H37 G38 I53S8-L36 PolarHBondContact N-O 3.14Å; S8-H37 PolarHBondContact OG-ND1 3.22Å; S8-G38 PolarHBondContact O-N 3.33Å; S8-I53 CarbonylContact C-O 3.51Å; S8-I53 VanDerWaalsContact CA-O 3.29Å; S8-I53 WeakPolarHBondContact CA-O 3.5Å
9G89.2Confident83.9Confident0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-124.2107.8173.300000109.3A15 I53 S54 S55 P63 L66G9-A15 WeakPolarHBondContact O-CB 3.45Å; G9-I53 PolarHBondContact N-O 3.35Å; G9-S54 WeakPolarHBondContact O-CA 3.33Å; G9-S55 PolarHBondContact O-N 3.27Å; G9-S55 PolarHBondContact O-OG 3.15Å; G9-P63 WeakPolarHBondContact O-CG 3.48Å; G9-L66 VanDerWaalsContact CA-CD1 3.49Å
10S84Confident84.3Confident10 Ų1046.7 Ų46.77%0.0725%0.246CC..  trans-137.3155172.3-147.80000112.8G13 G14 A15 S55S10-G13 PolarHBondContact OG-N 3.02Å; S10-G14 PolarHBondContact OG-N 2.94Å; S10-A15 PolarHBondContact OG-N 2.93Å; S10-S55 WeakPolarHBondContact CA-OG 3.36Å; S10-S55 PolarHBondContact OG-OG 2.8Å
11T78.9Confident84.6Confident76 Ų7646.1 Ų46.147%0.46624%0.242SC..SBendtrans-100.1-28.3167.2-50.50000111.5
12L75.6Confident86.6Confident156 Ų15635.2 Ų35.282%0.81719%0.189SC*.SBendtrans-11810.2-173-65.9176.4000112.9G14L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.41Å
13G79.4Confident87.9Confident12 Ų1234.2 Ų34.212%0.12418%0.18CC..SBendtrans84.1-16.8-178.900000115.6S10 A15 E16 Y17S10-G13 PolarHBondContact OG-N 3.02Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 2.64Å; G13-E16 VanDerWaalsContact CA-OE2 3.31Å; G13-E16 WeakPolarHBondContact CA-OE2 3.48Å; G13-E16 WeakPolarHBondContact O-CA 3.41Å; G13-E16 WeakPolarHBondContact O-CB 3.46Å; G13-E16 PolarHBondContact O-N 3.27Å; G13-Y17 WeakPolarHBondContact O-CD2 3.35Å; G13-Y17 PolarHBondContact O-N 3.49Å
14G82.3Confident88.4Confident32 Ų3235.8 Ų35.833%0.3319%0.185SC..Hα-helixtrans-58.2-38-173.300000114.7S10 L12 V18S10-G14 PolarHBondContact OG-N 2.94Å; L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.41Å; G14-V18 WeakPolarHBondContact O-CG2 3.41Å; G14-V18 PolarHBondContact O-N 3.33Å
15A86.4Confident88.4Confident0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-78.6-24.5175.400000113.4G9 S10 G13 A19 I53 I90G9-A15 WeakPolarHBondContact O-CB 3.45Å; S10-A15 PolarHBondContact OG-N 2.93Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 2.64Å; A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.19Å; A15-I53 HydrophobicContact CB-CG2 3.86Å; A15-I90 HydrophobicContact CB-CD1 3.88Å
16E88.8Confident88.3Confident54 Ų5438.7 Ų38.725%0.25220%0.198SC..Hα-helixtrans-69.8-47.3177.1-60.1173.581.400109.5G13 V18 A19 E20 H37G13-E16 VanDerWaalsContact CA-OE2 3.31Å; G13-E16 WeakPolarHBondContact CA-OE2 3.48Å; G13-E16 WeakPolarHBondContact O-CA 3.41Å; G13-E16 WeakPolarHBondContact O-CB 3.46Å; G13-E16 PolarHBondContact O-N 3.27Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 3.46Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 3.5Å; E16-E20 PolarHBondContact O-N 3.38Å; E16-H37 WeakPolarHBondContact CG-ND1 3.48Å; E16-H37 IonicContact OE1-CG 2.79Å; E16-H37 IonicContact OE1-ND1 3.59Å; E16-H37 PolarHBondContact OE1-ND1 2.86Å
17Y87.9Confident88.2Confident155 Ų15544 Ų4461%0.60822%0.222SC*.Hα-helixtrans-54.5-47.4174-85.7-76000112.7G13 A19 E20 H21G13-Y17 WeakPolarHBondContact O-CD2 3.35Å; G13-Y17 PolarHBondContact O-N 3.49Å; Y17-A19 VanDerWaalsContact C-N 3.33Å; Y17-A19 PolarHBondContact O-N 3.38Å; Y17-E20 PolarHBondContact O-N 3.24Å; Y17-H21 WeakPolarHBondContact O-CB 3.5Å; Y17-H21 PolarHBondContact O-N 2.95Å
18V90.5Very high88Confident0 Ų051.2 Ų51.20%026%0.256CS..Hα-helixtrans-61.8-44.1176.7173.60000110.6G14 E16 E20 H21 L22 I53 I90 P131 E132 A135G14-V18 WeakPolarHBondContact O-CG2 3.41Å; G14-V18 PolarHBondContact O-N 3.33Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 3.46Å; V18-E20 PolarHBondContact O-N 2.88Å; V18-H21 PolarHBondContact O-N 3.09Å; V18-L22 HydrophobicContact CG1-CD1 3.87Å; V18-L22 HydrophobicContact CG1-CG 4.16Å; V18-L22 WeakPolarHBondContact O-CB 3.47Å; V18-L22 WeakPolarHBondContact O-CG 3.32Å; V18-L22 PolarHBondContact O-N 3.08Å; V18-I53 HydrophobicContact CB-CG2 4.35Å; V18-I53 HydrophobicContact CG1-CG2 4.19Å; V18-I90 HydrophobicContact CB-CD1 4Å; V18-I90 HydrophobicContact CG1-CD1 4.37Å; V18-I90 HydrophobicContact CG2-CD1 3.73Å; V18-P131 HydrophobicContact CG2-CB 3.75Å; V18-P131 HydrophobicContact CG2-CG 3.6Å; V18-E132 HydrophobicContact CG2-CG 4.2Å; V18-A135 HydrophobicContact CG1-CB 3.57Å
19A92.2Very high87.8Confident0 Ų053.9 Ų53.90%028%0.278CS..Hα-helixtrans-62.5-42.217900000112.5L6 A15 E16 Y17 L22 A23 I53L6-A19 VanDerWaalsContact CD2-O 3.26Å; L6-A19 WeakPolarHBondContact CD2-O 3.44Å; A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.19Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 3.5Å; Y17-A19 VanDerWaalsContact C-N 3.33Å; Y17-A19 PolarHBondContact O-N 3.38Å; A19-L22 PolarHBondContact O-N 3.27Å; A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 3.02Å; A19-I53 HydrophobicContact CB-CB 4.47Å; A19-I53 HydrophobicContact CB-CD1 3.81Å; A19-I53 HydrophobicContact CB-CG1 4.16Å
20E91.6Very high87.7Confident95 Ų9557 Ų5744%0.44431%0.31SS..Hα-helixtrans-62.1-48.1175.9-69-167.5103.300111.5E16 Y17 V18 L22 A23 E24E16-E20 PolarHBondContact O-N 3.38Å; Y17-E20 PolarHBondContact O-N 3.24Å; V18-E20 PolarHBondContact O-N 2.88Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 2.91Å; E20-A23 WeakPolarHBondContact O-CB 3.45Å; E20-A23 PolarHBondContact O-N 3.27Å; E20-A23 VanDerWaalsContact O-N 3.1Å; E20-E24 PolarHBondContact O-N 2.92Å
21H92Very high88Confident35 Ų3558.6 Ų58.616%0.16232%0.316CS..Hα-helixtrans-58.9-42.5177.7-175.475.3000112.4Y17 V18 A23 E24 K25 E132 E136Y17-H21 WeakPolarHBondContact O-CB 3.5Å; Y17-H21 PolarHBondContact O-N 2.95Å; V18-H21 PolarHBondContact O-N 3.09Å; H21-A23 VanDerWaalsContact C-N 3.35Å; H21-E24 PolarHBondContact O-N 2.82Å; H21-K25 VanDerWaalsContact O-CG 3.31Å; H21-K25 WeakPolarHBondContact O-CG 3.39Å; H21-K25 PolarHBondContact O-N 2.81Å; H21-E132 HydrophobicContact CB-CB 4.48Å; H21-E132 HydrophobicContact CB-CG 4Å; H21-E132 IonicContact CG-OE1 3.63Å; H21-E132 IonicContact ND1-OE1 2.62Å; H21-E136 IonicContact CD2-OE2 2.72Å; H21-E136 IonicContact CE1-OE2 3.9Å; H21-E136 IonicContact NE2-OE2 3.52Å; H21-E136 PolarHBondContact NE2-OE2 3.07Å
22L92.2Very high88.5Confident0 Ų058.5 Ų58.50%032%0.316CS..Hα-helixtrans-67-36.1176.5-66.9-178.9000112.5L6 V18 A19 E20 K25 L26 L51 I53 I88 A135 L139L6-L22 HydrophobicContact CD2-CB 3.9Å; V18-L22 HydrophobicContact CG1-CD1 3.87Å; V18-L22 HydrophobicContact CG1-CG 4.16Å; V18-L22 WeakPolarHBondContact O-CB 3.47Å; V18-L22 WeakPolarHBondContact O-CG 3.32Å; V18-L22 PolarHBondContact O-N 3.08Å; A19-L22 PolarHBondContact O-N 3.27Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 2.91Å; L22-K25 PolarHBondContact O-N 3.48Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.17Å; L22-L26 PolarHBondContact O-N 3.44Å; L22-L51 HydrophobicContact CD1-CD2 3.88Å; L22-I53 HydrophobicContact CD1-CG1 4.4Å; L22-I88 HydrophobicContact CD1-CD1 3.41Å; L22-I88 VanDerWaalsContact CD1-CD1 3.41Å; L22-A135 HydrophobicContact CD1-CB 4.19Å; L22-A135 HydrophobicContact CD2-CB 3.87Å; L22-A135 WeakPolarHBondContact CD2-O 3.45Å; L22-A135 HydrophobicContact CG-CB 4.29Å; L22-L139 HydrophobicContact CB-CD2 4.19Å; L22-L139 HydrophobicContact CD2-CB 3.73Å; L22-L139 HydrophobicContact CD2-CD1 4.35Å; L22-L139 HydrophobicContact CD2-CD2 3.69Å; L22-L139 HydrophobicContact CD2-CG 4.11Å
23A92.5Very high89.3Confident5 Ų552 Ų524%0.04128%0.282CS..Hα-helixtrans-61.2-49.8175.500000110.6L6 A19 E20 H21 K25 L26 E27 T35L6-A23 HydrophobicContact CD1-CB 4.03Å; L6-A23 HydrophobicContact CD2-CB 4.06Å; A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 3.02Å; E20-A23 WeakPolarHBondContact O-CB 3.45Å; E20-A23 PolarHBondContact O-N 3.27Å; E20-A23 VanDerWaalsContact O-N 3.1Å; H21-A23 VanDerWaalsContact C-N 3.35Å; A23-K25 VanDerWaalsContact C-N 3.29Å; A23-K25 PolarHBondContact O-N 2.97Å; A23-L26 WeakPolarHBondContact O-CB 3.49Å; A23-L26 PolarHBondContact O-N 2.96Å; A23-E27 WeakPolarHBondContact O-CG 3.46Å; A23-E27 PolarHBondContact O-N 3.49Å; A23-T35 HydrophobicContact CB-CG2 3.47Å; A23-T35 VanDerWaalsContact CB-CG2 3.47Å
24E92.2Very high89.9Confident119 Ų11955.8 Ų55.856%0.55630%0.297SS*.Hα-helixtrans-54.9-45.3177.3-68.6-172.293.400111.5E20 H21 L26 E27 E28E20-E24 PolarHBondContact O-N 2.92Å; H21-E24 PolarHBondContact O-N 2.82Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3.47Å; E24-E27 PolarHBondContact O-N 3.43Å; E24-E28 WeakPolarHBondContact O-CG 3.2Å; E24-E28 PolarHBondContact O-N 3.02Å
25K90.9Very high90.3Very high64 Ų6456.7 Ų56.728%0.27830%0.296SS..Hα-helixtrans-63.3-36.6178.6-67.5-75.7158.1151.20113.3H21 L22 A23 A29 E136 L139H21-K25 VanDerWaalsContact O-CG 3.31Å; H21-K25 WeakPolarHBondContact O-CG 3.39Å; H21-K25 PolarHBondContact O-N 2.81Å; L22-K25 PolarHBondContact O-N 3.48Å; A23-K25 VanDerWaalsContact C-N 3.29Å; A23-K25 PolarHBondContact O-N 2.97Å; K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 2.91Å; K25-E136 HydrophobicContact CD-CG 4.21Å; K25-E136 WeakPolarHBondContact CD-OE2 3.46Å; K25-E136 WeakPolarHBondContact CE-OE2 3.29Å; K25-E136 HydrophobicContact CG-CG 4.41Å; K25-E136 IonicContact NZ-OE1 3.39Å; K25-E136 PolarHBondContact NZ-OE1 2.89Å; K25-E136 IonicContact NZ-OE2 3.19Å; K25-E136 PolarHBondContact NZ-OE2 2.94Å; K25-L139 HydrophobicContact CB-CD2 3.66Å
26L90.7Very high90.4Very high0 Ų058.2 Ų58.20%030%0.304CS..Hα-helixtrans-70.4-40175.9-75.3171.2000111.6I4 L6 L22 A23 E24 A29 G30 F31 T33 L139 V143I4-L26 HydrophobicContact CB-CD1 4.4Å; I4-L26 HydrophobicContact CD1-CD1 3.94Å; I4-L26 HydrophobicContact CD1-CD2 3.62Å; I4-L26 HydrophobicContact CD1-CG 4.29Å; I4-L26 HydrophobicContact CG2-CD1 3.95Å; L6-L26 HydrophobicContact CD1-CD1 4.14Å; L6-L26 HydrophobicContact CD2-CD1 4.33Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.17Å; L22-L26 PolarHBondContact O-N 3.44Å; A23-L26 WeakPolarHBondContact O-CB 3.49Å; A23-L26 PolarHBondContact O-N 2.96Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3.47Å; L26-A29 CarbonylContact O-C 3.56Å; L26-A29 WeakPolarHBondContact O-CB 3.5Å; L26-A29 PolarHBondContact O-N 3.1Å; L26-A29 VanDerWaalsContact O-N 3.17Å; L26-G30 PolarHBondContact O-N 2.97Å; L26-F31 HydrophobicContact CD2-CD2 4.5Å; L26-F31 PolarHBondContact O-N 3.21Å; L26-T33 HydrophobicContact CB-CG2 3.26Å; L26-T33 HydrophobicContact CD1-CG2 3.51Å; L26-T33 HydrophobicContact CG-CG2 4.01Å; L26-L139 HydrophobicContact CD1-CD1 4.09Å; L26-L139 HydrophobicContact CD2-CD1 3.93Å; L26-L139 HydrophobicContact CD2-CD2 4.2Å; L26-L139 HydrophobicContact CD2-CG 4.27Å; L26-L139 HydrophobicContact CG-CD1 3.99Å; L26-L139 HydrophobicContact CG-CD2 3.9Å; L26-L139 HydrophobicContact CG-CG 4.39Å; L26-V143 HydrophobicContact CD2-CG2 3.28Å
27E90.8Very high90.4Very high112 Ų11259 Ų5952%0.52331%0.307SS..Hα-helixtrans-63.7-42.5173.7-66.3-171.993.700111.4A23 E24 A29 G30 F31 T33A23-E27 WeakPolarHBondContact O-CG 3.46Å; A23-E27 PolarHBondContact O-N 3.49Å; E24-E27 PolarHBondContact O-N 3.43Å; E27-A29 PolarHBondContact O-N 3.27Å; E27-G30 WeakPolarHBondContact O-CA 3.39Å; E27-G30 PolarHBondContact O-N 3.04Å; E27-F31 WeakPolarHBondContact CA-O 3.43Å; E27-T33 HydrophobicContact CG-CG2 4.46Å; E27-T33 WeakPolarHBondContact CG-OG1 3.44Å
28E89.5Confident90.1Very high150 Ų15052.2 Ų52.270%0.70129%0.285SS*.Hα-helixtrans-59.9-34.5172.1-73.3-170.7100.600112.3E24 G30E24-E28 WeakPolarHBondContact O-CG 3.2Å; E24-E28 PolarHBondContact O-N 3.02Å; E28-G30 PolarHBondContact O-N 3.02Å
29A86.9Confident90Very high56 Ų5652.7 Ų52.746%0.46329%0.288SS..THydrogen-bonded Turntrans-75.3-5.7174.500000113.8K25 L26 E27 F31K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 2.91Å; L26-A29 CarbonylContact O-C 3.56Å; L26-A29 WeakPolarHBondContact O-CB 3.5Å; L26-A29 PolarHBondContact O-N 3.1Å; L26-A29 VanDerWaalsContact O-N 3.17Å; E27-A29 PolarHBondContact O-N 3.27Å; A29-F31 HydrophobicContact CB-CD2 4.01Å; A29-F31 HydrophobicContact CB-CE2 4.28Å
30G87Confident89.6Confident66 Ų6656.7 Ų56.768%0.6831%0.309SS*.THydrogen-bonded Turntrans91.913.717700000115.2L26 E27 E28L26-G30 PolarHBondContact O-N 2.97Å; E27-G30 WeakPolarHBondContact O-CA 3.39Å; E27-G30 PolarHBondContact O-N 3.04Å; E28-G30 PolarHBondContact O-N 3.02Å
31F89.1Confident89.3Confident44 Ų4452.7 Ų52.719%0.19329%0.291CS..  trans-91.8149.1172.9-65.8-87000110.7D3 I4 L26 E27 A29 V143D3-F31 HydrophobicContact CB-CD1 4.35Å; I4-F31 HydrophobicContact CD1-CB 3.92Å; I4-F31 HydrophobicContact CD1-CD1 4.01Å; I4-F31 HydrophobicContact CD1-CG 3.92Å; L26-F31 HydrophobicContact CD2-CD2 4.5Å; L26-F31 PolarHBondContact O-N 3.21Å; E27-F31 WeakPolarHBondContact CA-O 3.43Å; A29-F31 HydrophobicContact CB-CD2 4.01Å; A29-F31 HydrophobicContact CB-CE2 4.28Å; F31-V143 HydrophobicContact CD2-CG1 4.45Å; F31-V143 HydrophobicContact CE2-CG1 3.6Å; F31-V143 HydrophobicContact CZ-CG1 4.18Å
32T90.1Very high88.8Confident74 Ų7458.4 Ų58.445%0.45432%0.317SS..  trans-88.2119.5171.1-51.20000109.1A2 D3 I4A2-T32 CarbonylContact C-O 3.49Å; A2-T32 HydrophobicContact CB-CG2 4.28Å; D3-T32 PolarHBondContact N-O 3.05Å; I4-T32 PolarHBondContact N-O 2.84Å; I4-T32 VanDerWaalsContact N-O 3.14Å
33T91.8Very high88.4Confident19 Ų1963.8 Ų63.812%0.11735%0.346CS..EExtended strand (participates in β ladder)trans-108.8150.4178.154.60000113.8I4 L6 L26 E27I4-T33 HydrophobicContact CB-CG2 4.27Å; I4-T33 CarbonylContact O-C 3.57Å; I4-T33 VanDerWaalsContact O-CA 3.24Å; I4-T33 WeakPolarHBondContact O-CA 3.49Å; L6-T33 VanDerWaalsContact CD1-CB 3.48Å; L6-T33 HydrophobicContact CD1-CG2 3.68Å; L26-T33 HydrophobicContact CB-CG2 3.26Å; L26-T33 HydrophobicContact CD1-CG2 3.51Å; L26-T33 HydrophobicContact CG-CG2 4.01Å; E27-T33 HydrophobicContact CG-CG2 4.46Å; E27-T33 WeakPolarHBondContact CG-OG1 3.44Å
34E91.7Very high88Confident91 Ų9164.1 Ų64.143%0.42535%0.347SS..EExtended strand (participates in β ladder)trans-131.4117.3172.2-173166.475.400109.6A2 I4 T5 L6 L36A2-E34 HydrophobicContact CB-CB 3.71Å; I4-E34 PolarHBondContact O-N 3.13Å; T5-E34 CarbonylContact C-O 3.58Å; T5-E34 WeakPolarHBondContact CA-O 3.18Å; L6-E34 PolarHBondContact N-O 3.33Å; E34-L36 HydrophobicContact CG-CD2 4.48Å; E34-L36 HydrophobicContact CG-CG 4.38Å
35T90.8Very high87.5Confident51 Ų5160.7 Ų60.731%0.31334%0.335SS..EExtended strand (participates in β ladder)trans-91.7125.8178.344.80000110.5L6 A23L6-T35 HydrophobicContact CB-CG2 3.97Å; L6-T35 HydrophobicContact CD1-CG2 4.32Å; L6-T35 CarbonylContact O-C 3.53Å; L6-T35 WeakPolarHBondContact O-CA 3.21Å; A23-T35 HydrophobicContact CB-CG2 3.47Å; A23-T35 VanDerWaalsContact CB-CG2 3.47Å
36L90.3Very high87Confident32 Ų3260.5 Ų60.517%0.16835%0.346CS..EExtended strand (participates in β ladder)trans-127.7125.1178.9-63.8172000109.2T5 L6 I7 S8 E34 P39 L44T5-L36 HydrophobicContact CG2-CD1 3.68Å; T5-L36 HydrophobicContact CG2-CG 4.39Å; L6-L36 PolarHBondContact O-N 3.33Å; I7-L36 WeakPolarHBondContact CA-O 3.08Å; S8-L36 PolarHBondContact N-O 3.14Å; E34-L36 HydrophobicContact CG-CD2 4.48Å; E34-L36 HydrophobicContact CG-CG 4.38Å; L36-P39 HydrophobicContact CB-CB 3.78Å; L36-P39 HydrophobicContact CB-CG 3.63Å; L36-P39 HydrophobicContact CD1-CB 3.87Å; L36-P39 HydrophobicContact CD1-CG 4.17Å; L36-P39 HydrophobicContact CG-CB 4.36Å; L36-L44 HydrophobicContact CD1-CD2 3.58Å
37H87.4Confident86.7Confident70 Ų7064.2 Ų64.232%0.32437%0.372SS..EExtended strand (participates in β ladder)trans-99.498.1-179-52.1-79.2000109.4S8 E16 N65S8-H37 PolarHBondContact OG-ND1 3.22Å; E16-H37 WeakPolarHBondContact CG-ND1 3.48Å; E16-H37 IonicContact OE1-CG 2.79Å; E16-H37 IonicContact OE1-ND1 3.59Å; E16-H37 PolarHBondContact OE1-ND1 2.86Å; H37-N65 VanDerWaalsContact C-ND2 3.29Å; H37-N65 PolarHBondContact O-ND2 3.35Å; H37-N65 VanDerWaalsContact O-ND2 3.11Å
38G82.9Confident86.6Confident13 Ų1360.4 Ų60.413%0.13436%0.362CS..SBendtrans64.250.4-173.300000115.5S8 N65S8-G38 PolarHBondContact O-N 3.33Å; G38-N65 WeakPolarHBondContact CA-O 3.45Å; G38-N65 PolarHBondContact N-ND2 3.2Å
39P86.7Confident86.7Confident11 Ų1154.5 Ų54.57%0.07134%0.335CS..  trans-64.9154176.428.4-34.2000112.3I7 L36 L44 F69I7-P39 HydrophobicContact CB-CG 4.41Å; I7-P39 HydrophobicContact CG1-CG 4.07Å; I7-P39 HydrophobicContact CG2-CG 3.8Å; L36-P39 HydrophobicContact CB-CB 3.78Å; L36-P39 HydrophobicContact CB-CG 3.63Å; L36-P39 HydrophobicContact CD1-CB 3.87Å; L36-P39 HydrophobicContact CD1-CG 4.17Å; L36-P39 HydrophobicContact CG-CB 4.36Å; P39-L44 HydrophobicContact CB-CD1 4.3Å; P39-L44 HydrophobicContact CB-CD2 4.28Å; P39-L44 HydrophobicContact CB-CG 4.16Å; P39-L44 HydrophobicContact CG-CD1 3.96Å; P39-L44 HydrophobicContact CG-CD2 4.08Å; P39-L44 HydrophobicContact CG-CG 4.2Å; P39-F69 WeakPolarHBondContact O-CB 3.36Å
40L84.6Confident87Confident83 Ų8351.9 Ų51.944%0.43531%0.313SS..  trans-79.5148.2166.3-63.5173.3000109.8E42 D43 P68L40-E42 HydrophobicContact CB-CG 3.89Å; L40-E42 PolarHBondContact O-N 3.4Å; L40-E42 VanDerWaalsContact O-N 3.13Å; L40-D43 WeakPolarHBondContact O-CB 3.33Å; L40-D43 PolarHBondContact O-N 3.44Å; L40-P68 HydrophobicContact CD2-CB 4.18Å
41L84.4Confident87.2Confident12 Ų1248.7 Ų48.76%0.06328%0.281CS..THydrogen-bonded Turntrans-55.6-32.7179.3179.264.5000113.1D43 L44 W50 F69 A72 L73 Q76 P78L41-D43 VanDerWaalsContact C-N 3.28Å; L41-D43 PolarHBondContact O-N 2.87Å; L41-L44 PolarHBondContact O-N 3.01Å; L41-W50 HydrophobicContact CD1-CH2 4.04Å; L41-W50 HydrophobicContact CD1-CZ3 4.45Å; L41-F69 HydrophobicContact CB-CD2 4.15Å; L41-F69 HydrophobicContact CB-CE2 4.27Å; L41-F69 HydrophobicContact CD1-CD2 4.45Å; L41-F69 HydrophobicContact CD1-CE2 3.75Å; L41-A72 HydrophobicContact CB-CB 3.72Å; L41-A72 HydrophobicContact CD2-CB 4.05Å; L41-A72 WeakPolarHBondContact CD2-O 3.31Å; L41-L73 HydrophobicContact CD1-CD2 3.56Å; L41-L73 HydrophobicContact CD1-CG 4.17Å; L41-L73 HydrophobicContact CD2-CD2 4.15Å; L41-L73 HydrophobicContact CD2-CG 4.44Å; L41-L73 HydrophobicContact CG-CD2 4.47Å; L41-Q76 HydrophobicContact CD2-CB 4.05Å; L41-Q76 HydrophobicContact CD2-CG 4.46Å; L41-P78 HydrophobicContact CD1-CG 4.06Å; L41-P78 HydrophobicContact CD2-CB 4.46Å; L41-P78 HydrophobicContact CD2-CG 3.7Å; L41-P78 HydrophobicContact CG-CG 4.31Å
42E83Confident87.4Confident155 Ų15546.6 Ų46.672%0.72427%0.272SS*.THydrogen-bonded Turntrans-68.8-23.5179.963.9-171.377.700114.3L40L40-E42 HydrophobicContact CB-CG 3.89Å; L40-E42 PolarHBondContact O-N 3.4Å; L40-E42 VanDerWaalsContact O-N 3.13Å
43D83.2Confident87.5Confident112 Ų11243.1 Ų43.160%0.59925%0.25SS*.THydrogen-bonded Turntrans-84.3-20.3179.1-159.2-116.8000111.2L40 L41L40-D43 WeakPolarHBondContact O-CB 3.33Å; L40-D43 PolarHBondContact O-N 3.44Å; L41-D43 VanDerWaalsContact C-N 3.28Å; L41-D43 PolarHBondContact O-N 2.87Å
44L84.3Confident87.4Confident12 Ų1242.2 Ų42.26%0.06324%0.244CC..SBendtrans-84.6141.1-174.7-70.3165.1000112.6T5 I7 L36 P39 L41 A46 W50 F69T5-L44 HydrophobicContact CG2-CD2 3.49Å; T5-L44 VanDerWaalsContact CG2-CD2 3.49Å; I7-L44 HydrophobicContact CD1-CD1 3.51Å; I7-L44 HydrophobicContact CD1-CD2 3.8Å; I7-L44 HydrophobicContact CD1-CG 4.32Å; I7-L44 HydrophobicContact CG1-CD1 4.32Å; I7-L44 HydrophobicContact CG1-CD2 3.96Å; L36-L44 HydrophobicContact CD1-CD2 3.58Å; P39-L44 HydrophobicContact CB-CD1 4.3Å; P39-L44 HydrophobicContact CB-CD2 4.28Å; P39-L44 HydrophobicContact CB-CG 4.16Å; P39-L44 HydrophobicContact CG-CD1 3.96Å; P39-L44 HydrophobicContact CG-CD2 4.08Å; P39-L44 HydrophobicContact CG-CG 4.2Å; L41-L44 PolarHBondContact O-N 3.01Å; L44-A46 PolarHBondContact O-N 3.49Å; L44-W50 HydrophobicContact CB-CH2 3.87Å; L44-W50 HydrophobicContact CB-CZ2 3.49Å; L44-W50 VanDerWaalsContact CB-CZ2 3.49Å; L44-W50 HydrophobicContact CD1-CH2 4.24Å; L44-W50 HydrophobicContact CD1-CZ2 4.44Å; L44-W50 HydrophobicContact CD1-CZ3 4.4Å; L44-W50 HydrophobicContact CG-CZ2 4.45Å; L44-F69 HydrophobicContact CD1-CD2 3.75Å; L44-F69 HydrophobicContact CD1-CE2 3.17Å; L44-F69 HydrophobicContact CD1-CZ 3.91Å
45P81.8Confident87.1Confident48 Ų4838.7 Ų38.731%0.31223%0.23SC..  trans-73.3122.3-179.228.7-33.4000110.9S47 W50P45-S47 PolarHBondContact O-N 3.32Å; P45-W50 WeakPolarHBondContact O-CZ2 3.23Å; P45-W50 PolarHBondContact O-NE1 2.52Å; P45-W50 VanDerWaalsContact O-NE1 3.14Å
46A79.9Confident86.4Confident60 Ų6037.5 Ų37.550%0.49622%0.223SC..SBendtrans-67.618.1175.400000114.7L44 V83L44-A46 PolarHBondContact O-N 3.49Å; A46-V83 WeakPolarHBondContact O-CG2 3.31Å
47S84.9Confident85.4Confident78 Ų7840.9 Ų40.955%0.54524%0.238SC..SBendtrans-153.8137.1176.1590000109.7P45P45-S47 PolarHBondContact O-N 3.32Å
48G88.3Confident84.2Confident32 Ų3238.8 Ų38.833%0.3323%0.234SC..EExtended strand (participates in β ladder)trans129.2-152178.200000112.5A82 V83 R84G48-A82 PolarHBondContact N-O 2.93Å; G48-V83 WeakPolarHBondContact O-CA 3.34Å; G48-R84 PolarHBondContact O-N 2.75Å
49I91.5Very high83.3Confident25 Ų2542.1 Ų42.113%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-119.3127.8179.3-56.8154.8000108.9D3 I4 T5 R84 W142 L146D3-I49 PolarHBondContact O-N 3.33Å; I4-I49 CarbonylContact C-O 3.58Å; I4-I49 VanDerWaalsContact CA-O 3.27Å; I4-I49 WeakPolarHBondContact CA-O 3.42Å; I4-I49 HydrophobicContact CG1-CB 4.09Å; I4-I49 HydrophobicContact CG1-CD1 4.06Å; I4-I49 HydrophobicContact CG1-CG2 4.32Å; I4-I49 HydrophobicContact CG2-CG2 4.27Å; T5-I49 PolarHBondContact N-O 2.85Å; I49-R84 CarbonylContact C-O 3.58Å; I49-R84 VanDerWaalsContact CA-O 3.23Å; I49-R84 WeakPolarHBondContact CA-O 3.47Å; I49-R84 HydrophobicContact CG1-CB 4.19Å; I49-R84 HydrophobicContact CG2-CB 4.49Å; I49-W142 HydrophobicContact CG2-CH2 3.21Å; I49-W142 HydrophobicContact CG2-CZ2 3.53Å; I49-W142 HydrophobicContact CG2-CZ3 4.25Å; I49-L146 HydrophobicContact CD1-CD1 3.91Å; I49-L146 HydrophobicContact CD1-CD2 3.65Å; I49-L146 HydrophobicContact CD1-CG 4.26Å; I49-L146 HydrophobicContact CG1-CD2 3.97Å; I49-L146 HydrophobicContact CG2-CD1 4.2Å; I49-L146 HydrophobicContact CG2-CD2 4.04Å
50W92.2Very high82.4Confident1 Ų141.7 Ų41.70%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-109.2143.2174-64.3-6.1000110.2T5 I7 L41 L44 P45 F69 L80 V83 R84 F85 G86 L109T5-W50 CarbonylContact O-C 3.43Å; T5-W50 VanDerWaalsContact O-CA 3.27Å; T5-W50 WeakPolarHBondContact O-CA 3.31Å; I7-W50 HydrophobicContact CD1-CB 4.37Å; I7-W50 HydrophobicContact CD1-CD2 4.19Å; I7-W50 HydrophobicContact CD1-CE3 4.08Å; I7-W50 HydrophobicContact CD1-CG 4.34Å; L41-W50 HydrophobicContact CD1-CH2 4.04Å; L41-W50 HydrophobicContact CD1-CZ3 4.45Å; L44-W50 HydrophobicContact CB-CH2 3.87Å; L44-W50 HydrophobicContact CB-CZ2 3.49Å; L44-W50 VanDerWaalsContact CB-CZ2 3.49Å; L44-W50 HydrophobicContact CD1-CH2 4.24Å; L44-W50 HydrophobicContact CD1-CZ2 4.44Å; L44-W50 HydrophobicContact CD1-CZ3 4.4Å; L44-W50 HydrophobicContact CG-CZ2 4.45Å; P45-W50 WeakPolarHBondContact O-CZ2 3.23Å; P45-W50 PolarHBondContact O-NE1 2.52Å; P45-W50 VanDerWaalsContact O-NE1 3.14Å; W50-F69 HydrophobicContact CE3-CZ 4.47Å; W50-F69 HydrophobicContact CZ3-CE2 4.38Å; W50-F69 HydrophobicContact CZ3-CZ 4.05Å; W50-L80 HydrophobicContact CH2-CD1 4.1Å; W50-L80 HydrophobicContact CH2-CD2 3.6Å; W50-L80 HydrophobicContact CZ2-CD2 4.18Å; W50-L80 HydrophobicContact CZ3-CD1 3.79Å; W50-L80 HydrophobicContact CZ3-CD2 4.12Å; W50-V83 HydrophobicContact CB-CG1 4.39Å; W50-V83 HydrophobicContact CD2-CG1 3.63Å; W50-V83 HydrophobicContact CE3-CG1 4.05Å; W50-V83 HydrophobicContact CG-CG1 3.78Å; W50-V83 HydrophobicContact CZ2-CG1 4.47Å; W50-V83 HydrophobicContact CZ2-CG2 4.41Å; W50-R84 PolarHBondContact N-O 2.77Å; W50-F85 HydrophobicContact CB-CB 4.1Å; W50-F85 CarbonylContact O-C 3.49Å; W50-F85 WeakPolarHBondContact O-CA 3.38Å; W50-G86 PolarHBondContact O-N 2.62Å; W50-L109 HydrophobicContact CE3-CD2 4.07Å; W50-L109 HydrophobicContact CZ3-CD2 3.92Å
51L92.5Very high82Confident0 Ų042.2 Ų42.20%026%0.262CS..EExtended strand (participates in β ladder)trans-122.1112.2171-173.665.5000107.6I4 T5 L6 I7 L22 I53 I88 W138 L139 W142I4-L51 HydrophobicContact CG2-CB 4.49Å; T5-L51 PolarHBondContact O-N 3.35Å; L6-L51 CarbonylContact C-O 3.54Å; L6-L51 WeakPolarHBondContact CA-O 3.33Å; L6-L51 HydrophobicContact CD2-CD2 3.83Å; L6-L51 HydrophobicContact CG-CB 4.19Å; L6-L51 HydrophobicContact CG-CD2 4.22Å; I7-L51 PolarHBondContact N-O 3.15Å; L22-L51 HydrophobicContact CD1-CD2 3.88Å; L51-I53 HydrophobicContact CB-CD1 4.34Å; L51-I53 HydrophobicContact CD2-CD1 4.1Å; L51-I53 HydrophobicContact CG-CD1 3.82Å; L51-I53 HydrophobicContact CG-CG1 4.49Å; L51-I53 WeakPolarHBondContact O-CD1 3.47Å; L51-I88 HydrophobicContact CD1-CD1 4.13Å; L51-I88 HydrophobicContact CD1-CG1 4.27Å; L51-I88 HydrophobicContact CD2-CD1 4.3Å; L51-I88 HydrophobicContact CG-CD1 4.4Å; L51-W138 HydrophobicContact CD1-CH2 3.65Å; L51-W138 HydrophobicContact CD1-CZ3 3.56Å; L51-L139 HydrophobicContact CD2-CD1 4.12Å; L51-W142 HydrophobicContact CB-CH2 4.28Å; L51-W142 HydrophobicContact CD1-CH2 4.11Å; L51-W142 HydrophobicContact CD1-CZ2 4.2Å; L51-W142 HydrophobicContact CD1-CZ3 4.39Å
52V92.4Very high81.9Confident0 Ų042.1 Ų42.10%026%0.261CS..EExtended strand (participates in β ladder)trans-99.3114.2-177.1-173.80000109.1I7 G86 A87 I88 I102 L105 L109I7-V52 HydrophobicContact CB-CG2 4.35Å; I7-V52 HydrophobicContact CD1-CG2 4.22Å; I7-V52 CarbonylContact O-C 3.4Å; I7-V52 WeakPolarHBondContact O-CA 3.26Å; V52-G86 PolarHBondContact N-O 3.3Å; V52-A87 CarbonylContact O-C 3.46Å; V52-A87 WeakPolarHBondContact O-CA 3.38Å; V52-I88 PolarHBondContact O-N 2.87Å; V52-I102 HydrophobicContact CB-CD1 4.24Å; V52-I102 HydrophobicContact CG1-CD1 3.98Å; V52-I102 WeakPolarHBondContact O-CD1 3.25Å; V52-L105 HydrophobicContact CG1-CD1 4.11Å; V52-L109 HydrophobicContact CG2-CD1 3.98Å
53I92.1Very high81.9Confident0 Ų034.8 Ų34.80%023%0.227CC..EExtended strand (participates in β ladder)trans-109.6107.4176.9-51.280.6000107.6L6 I7 S8 G9 A15 V18 A19 L22 L51 I88 I90L6-I53 HydrophobicContact CB-CD1 4.31Å; L6-I53 HydrophobicContact CD2-CD1 4.41Å; I7-I53 PolarHBondContact O-N 3.38Å; S8-I53 CarbonylContact C-O 3.51Å; S8-I53 VanDerWaalsContact CA-O 3.29Å; S8-I53 WeakPolarHBondContact CA-O 3.5Å; G9-I53 PolarHBondContact N-O 3.35Å; A15-I53 HydrophobicContact CB-CG2 3.86Å; V18-I53 HydrophobicContact CB-CG2 4.35Å; V18-I53 HydrophobicContact CG1-CG2 4.19Å; A19-I53 HydrophobicContact CB-CB 4.47Å; A19-I53 HydrophobicContact CB-CD1 3.81Å; A19-I53 HydrophobicContact CB-CG1 4.16Å; L22-I53 HydrophobicContact CD1-CG1 4.4Å; L51-I53 HydrophobicContact CB-CD1 4.34Å; L51-I53 HydrophobicContact CD2-CD1 4.1Å; L51-I53 HydrophobicContact CG-CD1 3.82Å; L51-I53 HydrophobicContact CG-CG1 4.49Å; L51-I53 WeakPolarHBondContact O-CD1 3.47Å; I53-I88 CarbonylContact C-O 3.59Å; I53-I88 WeakPolarHBondContact CA-O 3.33Å; I53-I88 HydrophobicContact CB-CB 4.46Å; I53-I88 HydrophobicContact CG1-CB 4.2Å; I53-I88 HydrophobicContact CG1-CD1 4.19Å; I53-I88 HydrophobicContact CG2-CB 4.23Å; I53-I88 HydrophobicContact CG2-CG2 4.16Å; I53-I90 HydrophobicContact CG2-CD1 3.75Å
54S90Very high81.9Confident0 Ų036.1 Ų36.10%023%0.234CC..EExtended strand (participates in β ladder)trans-120.4125.2179.7-1690000111.1G9 P63 I88 G89 I90G9-S54 WeakPolarHBondContact O-CA 3.33Å; S54-P63 VanDerWaalsContact OG-CD 3.26Å; S54-P63 WeakPolarHBondContact OG-CD 3.21Å; S54-I88 PolarHBondContact N-O 3.24Å; S54-G89 WeakPolarHBondContact O-CA 3.46Å; S54-I90 PolarHBondContact O-N 2.74Å
55S85.4Confident82Confident18 Ų1838.6 Ų38.613%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-75.9139.9163.864.40000109.8G9 S10 P63 I90G9-S55 PolarHBondContact O-N 3.27Å; G9-S55 PolarHBondContact O-OG 3.15Å; S10-S55 WeakPolarHBondContact CA-OG 3.36Å; S10-S55 PolarHBondContact OG-OG 2.8Å; S55-P63 WeakPolarHBondContact O-CD 3.39Å; S55-I90 CarbonylContact C-O 3.51Å; S55-I90 VanDerWaalsContact CA-O 3.24Å; S55-I90 WeakPolarHBondContact CA-O 3.2Å
56T77.2Confident82.2Confident25 Ų2536.3 Ų36.315%0.15323%0.233CC..  trans-88.8128.7174.6-60.50000109.4G60 I90 C99T56-G60 VanDerWaalsContact CG2-CA 3.43Å; T56-I90 PolarHBondContact N-O 2.89Å; T56-C99 WeakPolarHBondContact OG1-CA 3.17Å
57H68.8Low82.6Confident104 Ų10434.7 Ų34.748%0.48122%0.218SC..BIsolated β-bridgetrans-107.9141.6174.9-161.575000111.3A59 G60 D61H57-A59 PolarHBondContact O-N 3Å; H57-G60 PolarHBondContact O-N 3.26Å; H57-D61 PolarHBondContact N-O 2.8Å; H57-D61 PolarHBondContact O-N 3.03Å
58G62.4Low82.7Confident25 Ų2533.5 Ų33.526%0.25821%0.208SC..THydrogen-bonded Turntrans55.4-125.3176.800000113.4G60 Y95G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 3.3Å; G58-Y95 WeakPolarHBondContact O-CD1 3.4Å; G58-Y95 VanDerWaalsContact O-CG 3.22Å
59A62.5Low82.8Confident83 Ų8332 Ų3269%0.68619%0.192SC*.THydrogen-bonded Turntrans-85.526.1-172.200000114.6H57 T97H57-A59 PolarHBondContact O-N 3Å; A59-T97 WeakPolarHBondContact O-CB 3.12Å; A59-T97 PolarHBondContact O-OG1 3.46Å
60G68.6Low82.6Confident3 Ų332.6 Ų32.63%0.03119%0.193CC..THydrogen-bonded Turntrans102.722.6-175.200000114.4T56 H57 G58 G100T56-G60 VanDerWaalsContact CG2-CA 3.43Å; H57-G60 PolarHBondContact O-N 3.26Å; G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 3.3Å; G60-G100 CarbonylContact O-C 3.53Å
61D76.6Confident82.5Confident93 Ų9337.5 Ų37.550%0.49722%0.216SC..BIsolated β-bridgetrans-91.6151.3-175.7-143.7-116.1000112.6H57 K104H57-D61 PolarHBondContact N-O 2.8Å; H57-D61 PolarHBondContact O-N 3.03Å; D61-K104 IonicContact OD2-NZ 3.59Å
62I82.5Confident82.4Confident10 Ų1038.1 Ų38.15%0.05122%0.221CC..PPolyproline II helixtrans-73.4136.7178.6-63.5173.1000107.2L66 Y70 A101 K104 L105I62-L66 HydrophobicContact CG2-CB 3.93Å; I62-L66 HydrophobicContact CG2-CD2 3.86Å; I62-Y70 HydrophobicContact CD1-CD1 3.77Å; I62-Y70 HydrophobicContact CD1-CD2 3.45Å; I62-Y70 VanDerWaalsContact CD1-CD2 3.45Å; I62-Y70 HydrophobicContact CD1-CE1 4.2Å; I62-Y70 HydrophobicContact CD1-CE2 3.89Å; I62-Y70 HydrophobicContact CD1-CG 3.38Å; I62-A101 HydrophobicContact CB-CB 4.46Å; I62-A101 HydrophobicContact CG1-CB 3.94Å; I62-K104 HydrophobicContact CD1-CB 4.14Å; I62-K104 HydrophobicContact CD1-CD 4.29Å; I62-K104 HydrophobicContact CG1-CD 4.43Å; I62-L105 HydrophobicContact CD1-CD2 4.47Å; I62-L105 HydrophobicContact CD1-CG 4.15Å
63P82.7Confident82.2Confident1 Ų138.1 Ų38.11%0.00622%0.221CC..PPolyproline II helixtrans-61.5143.5178.824-31000109.8G9 S54 S55 N65 L66 S67G9-P63 WeakPolarHBondContact O-CG 3.48Å; S54-P63 VanDerWaalsContact OG-CD 3.26Å; S54-P63 WeakPolarHBondContact OG-CD 3.21Å; S55-P63 WeakPolarHBondContact O-CD 3.39Å; P63-N65 PolarHBondContact O-N 3.44Å; P63-L66 HydrophobicContact CG-CB 4.06Å; P63-L66 WeakPolarHBondContact O-CA 3.49Å; P63-L66 PolarHBondContact O-N 3.46Å; P63-S67 PolarHBondContact O-N 3.2Å; P63-S67 PolarHBondContact O-OG 3.45Å
64D83.6Confident82Confident140 Ų14041.7 Ų41.775%0.74924%0.238SC*.THydrogen-bonded Turntrans-51.4-35.8-174.2-164.4-104.3000113.5L66 S67 P68D64-L66 PolarHBondContact O-N 3.01Å; D64-S67 PolarHBondContact O-N 3.2Å; D64-P68 WeakPolarHBondContact O-CD 3.45Å
65N85.4Confident82Confident65 Ų6549.4 Ų49.435%0.34827%0.274SS..THydrogen-bonded Turntrans-66-23.3178.1-159.921.4000113.6H37 G38 P63H37-N65 VanDerWaalsContact C-ND2 3.29Å; H37-N65 PolarHBondContact O-ND2 3.35Å; H37-N65 VanDerWaalsContact O-ND2 3.11Å; G38-N65 WeakPolarHBondContact CA-O 3.45Å; G38-N65 PolarHBondContact N-ND2 3.2Å; P63-N65 PolarHBondContact O-N 3.44Å
66L87.2Confident82.1Confident0 Ų054 Ų540%029%0.293CS..THydrogen-bonded Turntrans-110.5-11.5-176.9-152.9139.7000112.5I7 G9 I62 P63 D64 F69 Y70 L105I7-L66 HydrophobicContact CG2-CD1 3.85Å; G9-L66 VanDerWaalsContact CA-CD1 3.49Å; I62-L66 HydrophobicContact CG2-CB 3.93Å; I62-L66 HydrophobicContact CG2-CD2 3.86Å; P63-L66 HydrophobicContact CG-CB 4.06Å; P63-L66 WeakPolarHBondContact O-CA 3.49Å; P63-L66 PolarHBondContact O-N 3.46Å; D64-L66 PolarHBondContact O-N 3.01Å; L66-F69 HydrophobicContact CD2-CD1 3.94Å; L66-F69 HydrophobicContact CG-CB 4.4Å; L66-F69 HydrophobicContact CG-CD1 4.23Å; L66-F69 WeakPolarHBondContact O-CB 3.46Å; L66-F69 PolarHBondContact O-N 2.78Å; L66-Y70 PolarHBondContact O-N 2.78Å; L66-L105 HydrophobicContact CD2-CD1 3.29Å; L66-L105 HydrophobicContact CD2-CD2 3.35Å; L66-L105 HydrophobicContact CD2-CG 3.9Å
67S87Confident82.4Confident26 Ų2659.5 Ų59.518%0.18232%0.315CS..Hα-helixtrans-49.3-51167.5-60.20000113.9P63 D64 F69 Y70 E71P63-S67 PolarHBondContact O-N 3.2Å; P63-S67 PolarHBondContact O-OG 3.45Å; D64-S67 PolarHBondContact O-N 3.2Å; S67-F69 VanDerWaalsContact C-N 3.26Å; S67-F69 PolarHBondContact O-N 3.44Å; S67-Y70 WeakPolarHBondContact O-CB 3.27Å; S67-Y70 PolarHBondContact O-N 3.44Å; S67-Y70 VanDerWaalsContact O-N 3.1Å; S67-E71 WeakPolarHBondContact O-CG 3.44Å; S67-E71 PolarHBondContact O-N 3.02Å
68P87.4Confident83.1Confident52 Ų5256 Ų5634%0.33830%0.302SS..Hα-helixtrans-64.2-31.3-179.824.6-34.7000112.8L40 D64 A72L40-P68 HydrophobicContact CD2-CB 4.18Å; D64-P68 WeakPolarHBondContact O-CD 3.45Å; P68-A72 WeakPolarHBondContact O-CB 3.48Å; P68-A72 PolarHBondContact O-N 2.84Å
69F89.9Confident84.3Confident0 Ų060.4 Ų60.40%032%0.32CS..Hα-helixtrans-66-45.1173.2173.8-106.9000111.6I7 P39 L41 L44 W50 L66 S67 A72 L73 L105 L109I7-F69 HydrophobicContact CD1-CZ 4.08Å; P39-F69 WeakPolarHBondContact O-CB 3.36Å; L41-F69 HydrophobicContact CB-CD2 4.15Å; L41-F69 HydrophobicContact CB-CE2 4.27Å; L41-F69 HydrophobicContact CD1-CD2 4.45Å; L41-F69 HydrophobicContact CD1-CE2 3.75Å; L44-F69 HydrophobicContact CD1-CD2 3.75Å; L44-F69 HydrophobicContact CD1-CE2 3.17Å; L44-F69 HydrophobicContact CD1-CZ 3.91Å; W50-F69 HydrophobicContact CE3-CZ 4.47Å; W50-F69 HydrophobicContact CZ3-CE2 4.38Å; W50-F69 HydrophobicContact CZ3-CZ 4.05Å; L66-F69 HydrophobicContact CD2-CD1 3.94Å; L66-F69 HydrophobicContact CG-CB 4.4Å; L66-F69 HydrophobicContact CG-CD1 4.23Å; L66-F69 WeakPolarHBondContact O-CB 3.46Å; L66-F69 PolarHBondContact O-N 2.78Å; S67-F69 VanDerWaalsContact C-N 3.26Å; S67-F69 PolarHBondContact O-N 3.44Å; F69-A72 PolarHBondContact O-N 2.73Å; F69-L73 HydrophobicContact CD1-CD1 4.06Å; F69-L73 HydrophobicContact CE1-CD1 3.49Å; F69-L73 VanDerWaalsContact CE1-CD1 3.49Å; F69-L73 HydrophobicContact CE1-CG 4.36Å; F69-L73 HydrophobicContact CE2-CD1 4.26Å; F69-L73 HydrophobicContact CE2-CG 4.3Å; F69-L73 HydrophobicContact CZ-CD1 3.61Å; F69-L73 HydrophobicContact CZ-CD2 4.41Å; F69-L73 HydrophobicContact CZ-CG 4.11Å; F69-L73 WeakPolarHBondContact O-CG 3.09Å; F69-L73 PolarHBondContact O-N 2.72Å; F69-L105 HydrophobicContact CD1-CD2 4.05Å; F69-L105 HydrophobicContact CE1-CD2 4.17Å; F69-L109 HydrophobicContact CZ-CD2 4.44Å
70Y88.9Confident85.6Confident39 Ų3956.5 Ų56.515%0.15329%0.287CS..Hα-helixtrans-61.6-47.6176.7179.2-102.1000112I62 L66 S67 A72 L73 Q74 K104 L105 E108I62-Y70 HydrophobicContact CD1-CD1 3.77Å; I62-Y70 HydrophobicContact CD1-CD2 3.45Å; I62-Y70 VanDerWaalsContact CD1-CD2 3.45Å; I62-Y70 HydrophobicContact CD1-CE1 4.2Å; I62-Y70 HydrophobicContact CD1-CE2 3.89Å; I62-Y70 HydrophobicContact CD1-CG 3.38Å; L66-Y70 PolarHBondContact O-N 2.78Å; S67-Y70 WeakPolarHBondContact O-CB 3.27Å; S67-Y70 PolarHBondContact O-N 3.44Å; S67-Y70 VanDerWaalsContact O-N 3.1Å; Y70-A72 VanDerWaalsContact C-N 3.34Å; Y70-A72 PolarHBondContact O-N 2.82Å; Y70-L73 WeakPolarHBondContact O-CB 3.27Å; Y70-L73 PolarHBondContact O-N 3.14Å; Y70-Q74 HydrophobicContact CE1-CG 4.37Å; Y70-Q74 PolarHBondContact O-N 2.86Å; Y70-Q74 PolarHBondContact OH-NE2 3.02Å; Y70-K104 HydrophobicContact CE2-CB 3.89Å; Y70-L105 HydrophobicContact CD2-CD2 3.79Å; Y70-L105 HydrophobicContact CD2-CG 4.25Å; Y70-L105 HydrophobicContact CG-CD2 4.42Å; Y70-E108 HydrophobicContact CD2-CB 4.44Å; Y70-E108 HydrophobicContact CD2-CG 3.99Å; Y70-E108 HydrophobicContact CE2-CB 4.03Å; Y70-E108 HydrophobicContact CE2-CG 3.21Å
71E89.9Confident86.5Confident104 Ų10459.2 Ų59.249%0.48631%0.306SS..Hα-helixtrans-60.6-43.9176.5-69.5177102.700111.1S67 L73 Q74 E75S67-E71 WeakPolarHBondContact O-CG 3.44Å; S67-E71 PolarHBondContact O-N 3.02Å; E71-L73 VanDerWaalsContact C-N 3.35Å; E71-L73 PolarHBondContact O-N 3.25Å; E71-Q74 WeakPolarHBondContact O-CB 3.46Å; E71-Q74 PolarHBondContact O-N 3.17Å; E71-Q74 VanDerWaalsContact O-N 3.09Å; E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 WeakPolarHBondContact O-CG 3.06Å; E71-E75 PolarHBondContact O-N 3.3Å
72A89.9Confident87.1Confident12 Ų1258.1 Ų58.110%0.09931%0.31CS..Hα-helixtrans-61.1-38.8177.100000113.1L41 P68 F69 Y70 Q74 E75 Q76L41-A72 HydrophobicContact CB-CB 3.72Å; L41-A72 HydrophobicContact CD2-CB 4.05Å; L41-A72 WeakPolarHBondContact CD2-O 3.31Å; P68-A72 WeakPolarHBondContact O-CB 3.48Å; P68-A72 PolarHBondContact O-N 2.84Å; F69-A72 PolarHBondContact O-N 2.73Å; Y70-A72 VanDerWaalsContact C-N 3.34Å; Y70-A72 PolarHBondContact O-N 2.82Å; A72-Q74 VanDerWaalsContact C-N 3.32Å; A72-Q74 PolarHBondContact O-N 3.41Å; A72-E75 PolarHBondContact O-N 2.98Å; A72-Q76 WeakPolarHBondContact O-CB 3.24Å; A72-Q76 WeakPolarHBondContact O-CG 3.5Å; A72-Q76 PolarHBondContact O-N 3.45Å
73L88.1Confident87.5Confident0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-60.5-42.9173.3-76.7169000111.4L41 F69 Y70 E71 K77 P78 L80 E108 L109L41-L73 HydrophobicContact CD1-CD2 3.56Å; L41-L73 HydrophobicContact CD1-CG 4.17Å; L41-L73 HydrophobicContact CD2-CD2 4.15Å; L41-L73 HydrophobicContact CD2-CG 4.44Å; L41-L73 HydrophobicContact CG-CD2 4.47Å; F69-L73 HydrophobicContact CD1-CD1 4.06Å; F69-L73 HydrophobicContact CE1-CD1 3.49Å; F69-L73 VanDerWaalsContact CE1-CD1 3.49Å; F69-L73 HydrophobicContact CE1-CG 4.36Å; F69-L73 HydrophobicContact CE2-CD1 4.26Å; F69-L73 HydrophobicContact CE2-CG 4.3Å; F69-L73 HydrophobicContact CZ-CD1 3.61Å; F69-L73 HydrophobicContact CZ-CD2 4.41Å; F69-L73 HydrophobicContact CZ-CG 4.11Å; F69-L73 WeakPolarHBondContact O-CG 3.09Å; F69-L73 PolarHBondContact O-N 2.72Å; Y70-L73 WeakPolarHBondContact O-CB 3.27Å; Y70-L73 PolarHBondContact O-N 3.14Å; E71-L73 VanDerWaalsContact C-N 3.35Å; E71-L73 PolarHBondContact O-N 3.25Å; L73-K77 WeakPolarHBondContact O-CA 3.31Å; L73-K77 PolarHBondContact O-N 3.32Å; L73-P78 HydrophobicContact CD2-CG 4.04Å; L73-L80 HydrophobicContact CD2-CD1 3.87Å; L73-E108 HydrophobicContact CB-CB 4.5Å; L73-L109 HydrophobicContact CD1-CD2 3.79Å; L73-L109 HydrophobicContact CD1-CG 4.07Å; L73-L109 HydrophobicContact CD2-CD2 3.99Å
74Q88.3Confident88Confident75 Ų7563.2 Ų63.235%0.3533%0.328SS..Hα-helixtrans-69.1-41.6179.6-68-167.5-58.500112.9Y70 E71 A72 K77 E108Y70-Q74 HydrophobicContact CE1-CG 4.37Å; Y70-Q74 PolarHBondContact O-N 2.86Å; Y70-Q74 PolarHBondContact OH-NE2 3.02Å; E71-Q74 WeakPolarHBondContact O-CB 3.46Å; E71-Q74 PolarHBondContact O-N 3.17Å; E71-Q74 VanDerWaalsContact O-N 3.09Å; A72-Q74 VanDerWaalsContact C-N 3.32Å; A72-Q74 PolarHBondContact O-N 3.41Å; Q74-K77 WeakPolarHBondContact O-CE 3.26Å; Q74-K77 WeakPolarHBondContact O-CG 3.33Å; Q74-E108 VanDerWaalsContact CG-CD 3.47Å; Q74-E108 HydrophobicContact CG-CG 3.84Å; Q74-E108 WeakPolarHBondContact CG-OE2 3.44Å; Q74-E108 PolarHBondContact NE2-OE1 3.03Å
75E90Very high88.4Confident162 Ų16256.6 Ų56.676%0.75729%0.292SS*.Hα-helixtrans-77.1-48.6-177.6-71.9-169.596.900112.3E71 A72E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 WeakPolarHBondContact O-CG 3.06Å; E71-E75 PolarHBondContact O-N 3.3Å; A72-E75 PolarHBondContact O-N 2.98Å
76Q86.6Confident88.8Confident115 Ų11553.5 Ų53.554%0.53728%0.276SS..Hα-helixtrans-83-29.8-174.2-59.8-171.36000112.8L41 A72L41-Q76 HydrophobicContact CD2-CB 4.05Å; L41-Q76 HydrophobicContact CD2-CG 4.46Å; A72-Q76 WeakPolarHBondContact O-CB 3.24Å; A72-Q76 WeakPolarHBondContact O-CG 3.5Å; A72-Q76 PolarHBondContact O-N 3.45Å
77K83.8Confident89Confident140 Ų14053.6 Ų53.661%0.60928%0.277SS*.  trans43.959.5-176.1-59.5-174.8-179.21770112.4L73 Q74L73-K77 WeakPolarHBondContact O-CA 3.31Å; L73-K77 PolarHBondContact O-N 3.32Å; Q74-K77 WeakPolarHBondContact O-CE 3.26Å; Q74-K77 WeakPolarHBondContact O-CG 3.33Å
78P84.6Confident89.2Confident31 Ų3152.3 Ų52.320%0.20127%0.268CS..  trans-60.7151.2179.530.9-39.2000110.8L41 L73 L80 S112L41-P78 HydrophobicContact CD1-CG 4.06Å; L41-P78 HydrophobicContact CD2-CB 4.46Å; L41-P78 HydrophobicContact CD2-CG 3.7Å; L41-P78 HydrophobicContact CG-CG 4.31Å; L73-P78 HydrophobicContact CD2-CG 4.04Å; P78-L80 HydrophobicContact CB-CD2 4.27Å; P78-L80 HydrophobicContact CB-CG 4.31Å; P78-L80 HydrophobicContact CG-CD1 4.12Å; P78-L80 HydrophobicContact CG-CD2 4.15Å; P78-L80 HydrophobicContact CG-CG 3.9Å; P78-L80 PolarHBondContact O-N 3.03Å; P78-L80 VanDerWaalsContact O-N 3.15Å; P78-S112 WeakPolarHBondContact O-CB 3.39Å; P78-S112 VanDerWaalsContact O-O 3.09Å
79D87.3Confident89.3Confident118 Ų11849.9 Ų49.963%0.63125%0.252SS*.  trans-8096.2171.6-177.2-136.7000109.9S81D79-S81 VanDerWaalsContact C-N 3.29Å; D79-S81 WeakPolarHBondContact OD2-CB 3.37Å; D79-S81 PolarHBondContact OD2-OG 3.43Å
80L88.6Confident89.2Confident1 Ų150.2 Ų50.21%0.00525%0.254CS..  trans-94.119.3179.3-61.9179.3000112.2W50 L73 P78 A82 V83 L109 S112 A114W50-L80 HydrophobicContact CH2-CD1 4.1Å; W50-L80 HydrophobicContact CH2-CD2 3.6Å; W50-L80 HydrophobicContact CZ2-CD2 4.18Å; W50-L80 HydrophobicContact CZ3-CD1 3.79Å; W50-L80 HydrophobicContact CZ3-CD2 4.12Å; L73-L80 HydrophobicContact CD2-CD1 3.87Å; P78-L80 HydrophobicContact CB-CD2 4.27Å; P78-L80 HydrophobicContact CB-CG 4.31Å; P78-L80 HydrophobicContact CG-CD1 4.12Å; P78-L80 HydrophobicContact CG-CD2 4.15Å; P78-L80 HydrophobicContact CG-CG 3.9Å; P78-L80 PolarHBondContact O-N 3.03Å; P78-L80 VanDerWaalsContact O-N 3.15Å; L80-A82 PolarHBondContact O-N 3.11Å; L80-V83 HydrophobicContact CB-CB 4.11Å; L80-V83 HydrophobicContact CB-CG2 4.3Å; L80-V83 HydrophobicContact CD2-CB 4.42Å; L80-V83 HydrophobicContact CD2-CG2 3.85Å; L80-V83 WeakPolarHBondContact O-CA 3.29Å; L80-V83 WeakPolarHBondContact O-CB 3.4Å; L80-V83 PolarHBondContact O-N 2.86Å; L80-L109 HydrophobicContact CD1-CD2 3.75Å; L80-S112 PolarHBondContact N-O 2.96Å; L80-A114 HydrophobicContact CB-CB 3.7Å; L80-A114 HydrophobicContact CD1-CB 4.18Å; L80-A114 WeakPolarHBondContact O-CA 3.43Å
81S89.2Confident88.9Confident60 Ų6048.5 Ų48.542%0.4225%0.248SC..THydrogen-bonded Turntrans-55-25.4-179.4-67.90000114.5D79 G113D79-S81 VanDerWaalsContact C-N 3.29Å; D79-S81 WeakPolarHBondContact OD2-CB 3.37Å; D79-S81 PolarHBondContact OD2-OG 3.43Å; S81-G113 WeakPolarHBondContact CA-O 3.45Å
82A89.2Confident88.3Confident70 Ų7044.4 Ų44.458%0.57923%0.231SC*.THydrogen-bonded Turntrans-96.70.3176.400000114.1G48 L80G48-A82 PolarHBondContact N-O 2.93Å; L80-A82 PolarHBondContact O-N 3.11Å
83V90.6Very high87.6Confident0 Ų051.8 Ų51.80%026%0.256CS..EExtended strand (participates in β ladder)trans-99.4130178.8178.60000109.6A46 G48 W50 L80 K115A46-V83 WeakPolarHBondContact O-CG2 3.31Å; G48-V83 WeakPolarHBondContact O-CA 3.34Å; W50-V83 HydrophobicContact CB-CG1 4.39Å; W50-V83 HydrophobicContact CD2-CG1 3.63Å; W50-V83 HydrophobicContact CE3-CG1 4.05Å; W50-V83 HydrophobicContact CG-CG1 3.78Å; W50-V83 HydrophobicContact CZ2-CG1 4.47Å; W50-V83 HydrophobicContact CZ2-CG2 4.41Å; L80-V83 HydrophobicContact CB-CB 4.11Å; L80-V83 HydrophobicContact CB-CG2 4.3Å; L80-V83 HydrophobicContact CD2-CB 4.42Å; L80-V83 HydrophobicContact CD2-CG2 3.85Å; L80-V83 WeakPolarHBondContact O-CA 3.29Å; L80-V83 WeakPolarHBondContact O-CB 3.4Å; L80-V83 PolarHBondContact O-N 2.86Å; V83-K115 PolarHBondContact O-N 3.46Å
84R92.2Very high86.7Confident118 Ų11858.6 Ų58.645%0.44529%0.288SS..EExtended strand (participates in β ladder)trans-96.4142.5165.9-67.3-178-166.2-178.24.6108.1G48 I49 W50 K115G48-R84 PolarHBondContact O-N 2.75Å; I49-R84 CarbonylContact C-O 3.58Å; I49-R84 VanDerWaalsContact CA-O 3.23Å; I49-R84 WeakPolarHBondContact CA-O 3.47Å; I49-R84 HydrophobicContact CG1-CB 4.19Å; I49-R84 HydrophobicContact CG2-CB 4.49Å; W50-R84 PolarHBondContact N-O 2.77Å; R84-K115 CarbonylContact C-O 3.43Å; R84-K115 WeakPolarHBondContact CA-O 3.43Å; R84-K115 HydrophobicContact CG-CB 4.5Å
85F92.2Very high85.5Confident0 Ų060.6 Ų60.60%029%0.293CS..EExtended strand (participates in β ladder)trans-135.2145.1174.577.7-82.1000113.1W50 A87 E106 L109 K110 A114 K115 Q116 T117W50-F85 HydrophobicContact CB-CB 4.1Å; W50-F85 CarbonylContact O-C 3.49Å; W50-F85 WeakPolarHBondContact O-CA 3.38Å; F85-A87 HydrophobicContact CD2-CB 4.45Å; F85-A87 HydrophobicContact CE2-CB 4.3Å; F85-E106 HydrophobicContact CE2-CB 4.23Å; F85-E106 HydrophobicContact CE2-CG 3.85Å; F85-E106 HydrophobicContact CZ-CB 4.49Å; F85-E106 HydrophobicContact CZ-CG 3.85Å; F85-L109 HydrophobicContact CD1-CB 4.09Å; F85-L109 HydrophobicContact CD1-CD1 4.45Å; F85-L109 HydrophobicContact CD2-CB 4.44Å; F85-L109 HydrophobicContact CD2-CD1 3.6Å; F85-L109 HydrophobicContact CE1-CB 3.74Å; F85-L109 HydrophobicContact CE2-CB 4.12Å; F85-L109 HydrophobicContact CE2-CD1 3.81Å; F85-L109 HydrophobicContact CG-CB 4.41Å; F85-L109 HydrophobicContact CG-CD1 3.94Å; F85-L109 HydrophobicContact CZ-CB 3.75Å; F85-L109 HydrophobicContact CZ-CD1 4.31Å; F85-K110 HydrophobicContact CE1-CG 4.17Å; F85-K110 HydrophobicContact CZ-CG 4Å; F85-A114 HydrophobicContact CD1-CB 3.5Å; F85-A114 VanDerWaalsContact CD1-CB 3.5Å; F85-A114 HydrophobicContact CE1-CB 3.77Å; F85-K115 PolarHBondContact N-O 3.39Å; F85-Q116 HydrophobicContact CE1-CB 3.89Å; F85-Q116 HydrophobicContact CE2-CB 4.34Å; F85-Q116 HydrophobicContact CE2-CG 4.43Å; F85-Q116 HydrophobicContact CZ-CB 3.78Å; F85-Q116 HydrophobicContact CZ-CG 4.33Å; F85-Q116 CarbonylContact O-C 3.59Å; F85-Q116 WeakPolarHBondContact O-CA 3.42Å; F85-T117 PolarHBondContact O-N 3.04Å
86G93.3Very high84.2Confident0 Ų061.1 Ų61.10%030%0.301CS..EExtended strand (participates in β ladder)trans-106.1153.3164.900000109.4W50 V52W50-G86 PolarHBondContact O-N 2.62Å; V52-G86 PolarHBondContact N-O 3.3Å
87A92.4Very high83.2Confident2 Ų258.6 Ų58.62%0.01729%0.294CS..EExtended strand (participates in β ladder)trans-133127-175.800000109.6V52 F85 I102 T120 L121V52-A87 CarbonylContact O-C 3.46Å; V52-A87 WeakPolarHBondContact O-CA 3.38Å; F85-A87 HydrophobicContact CD2-CB 4.45Å; F85-A87 HydrophobicContact CE2-CB 4.3Å; A87-I102 HydrophobicContact CB-CD1 3.83Å; A87-I102 HydrophobicContact CB-CG1 3.74Å; A87-T120 HydrophobicContact CB-CG2 3.8Å; A87-T120 CarbonylContact O-C 3.55Å; A87-T120 VanDerWaalsContact O-CA 3.31Å; A87-T120 WeakPolarHBondContact O-CA 3.36Å; A87-T120 WeakPolarHBondContact O-CG2 3.28Å; A87-L121 PolarHBondContact O-N 2.76Å
88I91.6Very high82.5Confident0 Ų054.3 Ų54.30%028%0.275CS..EExtended strand (participates in β ladder)trans-127112.5178.8-56.1-178.8000107.8L22 L51 V52 I53 S54 I90 L121 I123 W138L22-I88 HydrophobicContact CD1-CD1 3.41Å; L22-I88 VanDerWaalsContact CD1-CD1 3.41Å; L51-I88 HydrophobicContact CD1-CD1 4.13Å; L51-I88 HydrophobicContact CD1-CG1 4.27Å; L51-I88 HydrophobicContact CD2-CD1 4.3Å; L51-I88 HydrophobicContact CG-CD1 4.4Å; V52-I88 PolarHBondContact O-N 2.87Å; I53-I88 CarbonylContact C-O 3.59Å; I53-I88 WeakPolarHBondContact CA-O 3.33Å; I53-I88 HydrophobicContact CB-CB 4.46Å; I53-I88 HydrophobicContact CG1-CB 4.2Å; I53-I88 HydrophobicContact CG1-CD1 4.19Å; I53-I88 HydrophobicContact CG2-CB 4.23Å; I53-I88 HydrophobicContact CG2-CG2 4.16Å; S54-I88 PolarHBondContact N-O 3.24Å; I88-I90 HydrophobicContact CG2-CG1 4.47Å; I88-L121 CarbonylContact C-O 3.52Å; I88-L121 WeakPolarHBondContact CA-O 3.17Å; I88-L121 HydrophobicContact CB-CB 4.48Å; I88-L121 HydrophobicContact CG1-CB 4.16Å; I88-L121 HydrophobicContact CG2-CB 4.22Å; I88-L121 HydrophobicContact CG2-CD2 4.04Å; I88-L121 HydrophobicContact CG2-CG 4.46Å; I88-I123 HydrophobicContact CG2-CD1 3.76Å; I88-I123 HydrophobicContact CG2-CG1 4.46Å; I88-W138 HydrophobicContact CD1-CE3 3.74Å; I88-W138 HydrophobicContact CD1-CH2 4.45Å; I88-W138 HydrophobicContact CD1-CZ3 3.69Å; I88-W138 HydrophobicContact CG1-CE3 4.11Å; I88-W138 HydrophobicContact CG1-CH2 4.2Å; I88-W138 HydrophobicContact CG1-CZ3 3.92Å
89G89.4Confident81.9Confident0 Ų052.9 Ų52.90%027%0.266CS..EExtended strand (participates in β ladder)trans-94.8128.6171.900000110.4S54 L121 K122 I123S54-G89 WeakPolarHBondContact O-CA 3.46Å; G89-L121 PolarHBondContact N-O 2.78Å; G89-K122 CarbonylContact O-C 3.56Å; G89-K122 WeakPolarHBondContact O-CA 3.36Å; G89-I123 PolarHBondContact O-N 2.76Å
90I86.9Confident81.6Confident7 Ų747.6 Ų47.64%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-109.7126169.3-61.3163.1000107.1A15 V18 I53 S54 S55 T56 I88 I123 I125A15-I90 HydrophobicContact CB-CD1 3.88Å; V18-I90 HydrophobicContact CB-CD1 4Å; V18-I90 HydrophobicContact CG1-CD1 4.37Å; V18-I90 HydrophobicContact CG2-CD1 3.73Å; I53-I90 HydrophobicContact CG2-CD1 3.75Å; S54-I90 PolarHBondContact O-N 2.74Å; S55-I90 CarbonylContact C-O 3.51Å; S55-I90 VanDerWaalsContact CA-O 3.24Å; S55-I90 WeakPolarHBondContact CA-O 3.2Å; T56-I90 PolarHBondContact N-O 2.89Å; I88-I90 HydrophobicContact CG2-CG1 4.47Å; I90-I123 HydrophobicContact CG1-CB 4.21Å; I90-I123 HydrophobicContact CG1-CD1 3.95Å; I90-I125 HydrophobicContact CG2-CG2 3.33Å
91G82.8Confident81.4Confident4 Ų447.6 Ų47.64%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-156.2177.9179.200000112.4I123 N124 I125G91-I123 PolarHBondContact N-O 2.74Å; G91-N124 CarbonylContact O-C 3.51Å; G91-N124 VanDerWaalsContact O-CA 3.26Å; G91-N124 WeakPolarHBondContact O-CA 3.35Å; G91-N124 PolarHBondContact O-OD1 3.02Å; G91-I125 PolarHBondContact O-N 3.12Å
92S78.4Confident81.4Confident17 Ų1744.7 Ų44.712%0.11922%0.219CC..  trans-112.3131.6171.7-480000108.9E94 Y95 N124 I125S92-E94 PolarHBondContact O-N 3.26Å; S92-Y95 PolarHBondContact O-N 2.94Å; S92-N124 WeakPolarHBondContact CA-OD1 3.26Å; S92-I125 WeakPolarHBondContact OG-CD1 3.39Å; S92-I125 WeakPolarHBondContact OG-CG1 3.24Å
93R73.8Confident81.3Confident168 Ų16845.3 Ų45.363%0.63421%0.213SC*.THydrogen-bonded Turntrans-65.4-0.7170.7-74.2-174.6177.51770.6114.1Y95 F98 N124R93-Y95 PolarHBondContact O-N 2.76Å; R93-F98 HydrophobicContact CB-CD2 4.37Å; R93-F98 HydrophobicContact CG-CD1 4.42Å; R93-F98 HydrophobicContact CG-CD2 3.54Å; R93-F98 HydrophobicContact CG-CE2 3.75Å; R93-F98 HydrophobicContact CG-CG 3.91Å; R93-F98 HydrophobicContact CG-CZ 4.27Å; R93-N124 HydrophobicContact CG-CB 4.45Å; R93-N124 PolarHBondContact N-OD1 3.41Å
94E69Low81.2Confident143 Ų14349.1 Ų49.167%0.66823%0.229SC*.THydrogen-bonded Turntrans-66.4-23.7170.9-56.3-169.189.400112.7S92 L126S92-E94 PolarHBondContact O-N 3.26Å; E94-L126 HydrophobicContact CB-CD1 4.49Å; E94-L126 HydrophobicContact CG-CD1 3.26Å; E94-L126 HydrophobicContact CG-CD2 4.23Å; E94-L126 HydrophobicContact CG-CG 4.12Å
95Y64.7Low81Confident117 Ų11743.5 Ų43.546%0.45921%0.208SC..SBendtrans-96.9140.3178.6-61.1-84.4000110.6G58 S92 R93 T97G58-Y95 WeakPolarHBondContact O-CD1 3.4Å; G58-Y95 VanDerWaalsContact O-CG 3.22Å; S92-Y95 PolarHBondContact O-N 2.94Å; R93-Y95 PolarHBondContact O-N 2.76Å; Y95-T97 PolarHBondContact O-N 2.88Å; Y95-T97 VanDerWaalsContact O-N 3.12Å
96D61.5Low81Confident172 Ų17244.9 Ų44.992%0.9222%0.215SC*.SBendtrans-56.5-31.9-177.6-150.8-98.3000112.1
97T66.2Low80.9Confident63 Ų6347.3 Ų47.339%0.38723%0.234SC..SBendtrans-102.479.9176.6-50.10000111.3A59 Y95 C99A59-T97 WeakPolarHBondContact O-CB 3.12Å; A59-T97 PolarHBondContact O-OG1 3.46Å; Y95-T97 PolarHBondContact O-N 2.88Å; Y95-T97 VanDerWaalsContact O-N 3.12Å; T97-C99 PolarHBondContact O-N 2.77Å
98F69.3Low80.8Confident50 Ų5048.6 Ų48.622%0.21924%0.24CC..THydrogen-bonded Turntrans-66.1117.7174.4180-113.3000111.2R93 K122 N124R93-F98 HydrophobicContact CB-CD2 4.37Å; R93-F98 HydrophobicContact CG-CD1 4.42Å; R93-F98 HydrophobicContact CG-CD2 3.54Å; R93-F98 HydrophobicContact CG-CE2 3.75Å; R93-F98 HydrophobicContact CG-CG 3.91Å; R93-F98 HydrophobicContact CG-CZ 4.27Å; F98-K122 HydrophobicContact CD1-CB 4.46Å; F98-K122 HydrophobicContact CD1-CD 4.46Å; F98-K122 HydrophobicContact CE1-CB 3.56Å; F98-K122 HydrophobicContact CE1-CD 4.31Å; F98-K122 HydrophobicContact CE1-CG 4.48Å; F98-K122 HydrophobicContact CZ-CB 4.01Å; F98-N124 HydrophobicContact CE2-CB 3.89Å; F98-N124 HydrophobicContact CZ-CB 3.95Å
99C72Confident80.7Confident0 Ų048.7 Ų48.70%024%0.24CC..THydrogen-bonded Turntrans61.337.1179-65.50000114.7T56 T97 A101 I102 K122T56-C99 WeakPolarHBondContact OG1-CA 3.17Å; T97-C99 PolarHBondContact O-N 2.77Å; C99-A101 VanDerWaalsContact C-N 3.33Å; C99-A101 PolarHBondContact O-N 2.77Å; C99-I102 HydrophobicContact CB-CG2 3.94Å; C99-I102 WeakPolarHBondContact O-CG2 3.36Å; C99-K122 HydrophobicContact CB-CB 4.3Å; C99-K122 HydrophobicContact CB-CD 3.83Å; C99-K122 HydrophobicContact CB-CG 3.88Å
100G80Confident80.8Confident8 Ų853.2 Ų53.28%0.08226%0.26CS..Hα-helixtrans-64.4-32.9178.700000114.6G60 D103 K104G60-G100 CarbonylContact O-C 3.53Å; G100-D103 PolarHBondContact O-N 3.3Å; G100-K104 WeakPolarHBondContact O-CG 3.39Å; G100-K104 PolarHBondContact O-N 3.31Å
101A85.5Confident81Confident0 Ų058 Ų580%029%0.286CS..Hα-helixtrans-62.5-48.3-178.800000112.2I62 C99 D103 K104 L105I62-A101 HydrophobicContact CB-CB 4.46Å; I62-A101 HydrophobicContact CG1-CB 3.94Å; C99-A101 VanDerWaalsContact C-N 3.33Å; C99-A101 PolarHBondContact O-N 2.77Å; A101-D103 VanDerWaalsContact C-N 3.32Å; A101-D103 PolarHBondContact O-N 2.99Å; A101-K104 PolarHBondContact O-N 3.1Å; A101-L105 WeakPolarHBondContact O-CD1 3.31Å; A101-L105 WeakPolarHBondContact O-CG 3.47Å; A101-L105 PolarHBondContact O-N 2.83Å
102I88.5Confident81.3Confident0 Ų058.1 Ų58.10%029%0.286CS..Hα-helixtrans-68.8-33.6-177.8-163.865.2000112V52 A87 C99 L105 E106 T120V52-I102 HydrophobicContact CB-CD1 4.24Å; V52-I102 HydrophobicContact CG1-CD1 3.98Å; V52-I102 WeakPolarHBondContact O-CD1 3.25Å; A87-I102 HydrophobicContact CB-CD1 3.83Å; A87-I102 HydrophobicContact CB-CG1 3.74Å; C99-I102 HydrophobicContact CB-CG2 3.94Å; C99-I102 WeakPolarHBondContact O-CG2 3.36Å; I102-L105 HydrophobicContact CD1-CD1 4.41Å; I102-L105 PolarHBondContact O-N 3.17Å; I102-E106 WeakPolarHBondContact O-CB 3.35Å; I102-E106 PolarHBondContact O-N 2.77Å; I102-T120 HydrophobicContact CG1-CG2 4.03Å; I102-T120 HydrophobicContact CG2-CG2 4.04Å
103D87.4Confident81.8Confident82 Ų8258.7 Ų58.744%0.43929%0.294SS..Hα-helixtrans-64-44.7178.9-160.2-92.3000111G100 A101 L105 E106 A107 K122G100-D103 PolarHBondContact O-N 3.3Å; A101-D103 VanDerWaalsContact C-N 3.32Å; A101-D103 PolarHBondContact O-N 2.99Å; D103-L105 PolarHBondContact O-N 3.28Å; D103-E106 PolarHBondContact O-N 3.44Å; D103-A107 WeakPolarHBondContact O-CB 3.48Å; D103-A107 PolarHBondContact O-N 3.39Å; D103-K122 IonicContact OD2-NZ 3.65Å
104K88Confident82.7Confident81 Ų8151 Ų5135%0.35227%0.267SS..Hα-helixtrans-59.3-47173.5-70.7175.2179.6173.50111.7D61 I62 Y70 G100 A101 A107 E108D61-K104 IonicContact OD2-NZ 3.59Å; I62-K104 HydrophobicContact CD1-CB 4.14Å; I62-K104 HydrophobicContact CD1-CD 4.29Å; I62-K104 HydrophobicContact CG1-CD 4.43Å; Y70-K104 HydrophobicContact CE2-CB 3.89Å; G100-K104 WeakPolarHBondContact O-CG 3.39Å; G100-K104 PolarHBondContact O-N 3.31Å; A101-K104 PolarHBondContact O-N 3.1Å; K104-A107 PolarHBondContact O-N 2.75Å; K104-E108 PolarHBondContact O-N 3.29Å; K104-E108 VanDerWaalsContact O-N 3.08Å
105L89.1Confident83.7Confident0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-63-45.9179.8-74.8157.6000112.2V52 I62 L66 F69 Y70 A101 I102 D103 A107 E108 L109V52-L105 HydrophobicContact CG1-CD1 4.11Å; I62-L105 HydrophobicContact CD1-CD2 4.47Å; I62-L105 HydrophobicContact CD1-CG 4.15Å; L66-L105 HydrophobicContact CD2-CD1 3.29Å; L66-L105 HydrophobicContact CD2-CD2 3.35Å; L66-L105 HydrophobicContact CD2-CG 3.9Å; F69-L105 HydrophobicContact CD1-CD2 4.05Å; F69-L105 HydrophobicContact CE1-CD2 4.17Å; Y70-L105 HydrophobicContact CD2-CD2 3.79Å; Y70-L105 HydrophobicContact CD2-CG 4.25Å; Y70-L105 HydrophobicContact CG-CD2 4.42Å; A101-L105 WeakPolarHBondContact O-CD1 3.31Å; A101-L105 WeakPolarHBondContact O-CG 3.47Å; A101-L105 PolarHBondContact O-N 2.83Å; I102-L105 HydrophobicContact CD1-CD1 4.41Å; I102-L105 PolarHBondContact O-N 3.17Å; D103-L105 PolarHBondContact O-N 3.28Å; L105-A107 VanDerWaalsContact C-N 3.28Å; L105-A107 PolarHBondContact O-N 3.15Å; L105-E108 PolarHBondContact O-N 2.94Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.12Å; L105-L109 PolarHBondContact O-N 2.89Å
106E91.4Very high85Confident29 Ų2947.6 Ų47.614%0.13625%0.253CS..Hα-helixtrans-57.5-44.1176.5-175.4-160.7108.400111.1F85 I102 D103 L109 K110 Q116 T120F85-E106 HydrophobicContact CE2-CB 4.23Å; F85-E106 HydrophobicContact CE2-CG 3.85Å; F85-E106 HydrophobicContact CZ-CB 4.49Å; F85-E106 HydrophobicContact CZ-CG 3.85Å; I102-E106 WeakPolarHBondContact O-CB 3.35Å; I102-E106 PolarHBondContact O-N 2.77Å; D103-E106 PolarHBondContact O-N 3.44Å; E106-L109 PolarHBondContact O-N 3.36Å; E106-K110 HydrophobicContact CG-CD 4.16Å; E106-K110 WeakPolarHBondContact O-CB 3.31Å; E106-K110 VanDerWaalsContact O-CG 3.31Å; E106-K110 WeakPolarHBondContact O-CG 3.47Å; E106-K110 PolarHBondContact O-N 3.07Å; E106-K110 IonicContact OE1-NZ 3.64Å; E106-K110 PolarHBondContact OE1-NZ 3.42Å; E106-Q116 PolarHBondContact OE1-OE1 3.38Å; E106-Q116 PolarHBondContact OE2-OE1 3.29Å; E106-T120 WeakPolarHBondContact OE2-CB 3.38Å; E106-T120 PolarHBondContact OE2-OG1 3.46Å
107A90.6Very high86.2Confident50 Ų5040.2 Ų40.241%0.41321%0.214SC..Hα-helixtrans-61.4-45.6177.700000112.2D103 K104 L105 K110 N111D103-A107 WeakPolarHBondContact O-CB 3.48Å; D103-A107 PolarHBondContact O-N 3.39Å; K104-A107 PolarHBondContact O-N 2.75Å; L105-A107 VanDerWaalsContact C-N 3.28Å; L105-A107 PolarHBondContact O-N 3.15Å; A107-K110 PolarHBondContact O-N 3.32Å; A107-N111 VanDerWaalsContact O-CB 3.26Å; A107-N111 WeakPolarHBondContact O-CB 3.08Å; A107-N111 PolarHBondContact O-N 3.2Å
108E90.5Very high87.1Confident30 Ų3038.5 Ų38.514%0.1421%0.209CC..Hα-helixtrans-69.7-37.6179.2-69.6-55.6152.400113.3Y70 L73 Q74 K104 L105 N111 S112Y70-E108 HydrophobicContact CD2-CB 4.44Å; Y70-E108 HydrophobicContact CD2-CG 3.99Å; Y70-E108 HydrophobicContact CE2-CB 4.03Å; Y70-E108 HydrophobicContact CE2-CG 3.21Å; L73-E108 HydrophobicContact CB-CB 4.5Å; Q74-E108 VanDerWaalsContact CG-CD 3.47Å; Q74-E108 HydrophobicContact CG-CG 3.84Å; Q74-E108 WeakPolarHBondContact CG-OE2 3.44Å; Q74-E108 PolarHBondContact NE2-OE1 3.03Å; K104-E108 PolarHBondContact O-N 3.29Å; K104-E108 VanDerWaalsContact O-N 3.08Å; L105-E108 PolarHBondContact O-N 2.94Å; E108-N111 WeakPolarHBondContact O-CB 3.47Å; E108-N111 PolarHBondContact O-N 3.27Å; E108-S112 WeakPolarHBondContact O-CB 3.26Å; E108-S112 PolarHBondContact O-N 3.46Å; E108-S112 PolarHBondContact O-OG 3.34Å
109L90.3Very high87.9Confident1 Ų144 Ų441%0.00524%0.236CC..Hα-helixtrans-63-46174.3-74.2168.3000111.1W50 V52 F69 L73 L80 F85 L105 E106 N111 S112 G113 A114W50-L109 HydrophobicContact CE3-CD2 4.07Å; W50-L109 HydrophobicContact CZ3-CD2 3.92Å; V52-L109 HydrophobicContact CG2-CD1 3.98Å; F69-L109 HydrophobicContact CZ-CD2 4.44Å; L73-L109 HydrophobicContact CD1-CD2 3.79Å; L73-L109 HydrophobicContact CD1-CG 4.07Å; L73-L109 HydrophobicContact CD2-CD2 3.99Å; L80-L109 HydrophobicContact CD1-CD2 3.75Å; F85-L109 HydrophobicContact CD1-CB 4.09Å; F85-L109 HydrophobicContact CD1-CD1 4.45Å; F85-L109 HydrophobicContact CD2-CB 4.44Å; F85-L109 HydrophobicContact CD2-CD1 3.6Å; F85-L109 HydrophobicContact CE1-CB 3.74Å; F85-L109 HydrophobicContact CE2-CB 4.12Å; F85-L109 HydrophobicContact CE2-CD1 3.81Å; F85-L109 HydrophobicContact CG-CB 4.41Å; F85-L109 HydrophobicContact CG-CD1 3.94Å; F85-L109 HydrophobicContact CZ-CB 3.75Å; F85-L109 HydrophobicContact CZ-CD1 4.31Å; L105-L109 WeakPolarHBondContact O-CB 3.41Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.12Å; L105-L109 PolarHBondContact O-N 2.89Å; E106-L109 PolarHBondContact O-N 3.36Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.05Å; L109-S112 CarbonylContact O-C 3.58Å; L109-S112 WeakPolarHBondContact O-CB 3.15Å; L109-S112 PolarHBondContact O-N 2.92Å; L109-S112 VanDerWaalsContact O-N 3.15Å; L109-G113 PolarHBondContact O-N 2.94Å; L109-A114 HydrophobicContact CB-CB 4.08Å; L109-A114 WeakPolarHBondContact O-CB 3.47Å; L109-A114 PolarHBondContact O-N 3.47Å
110K90.4Very high88.8Confident95 Ų9545.4 Ų45.441%0.41324%0.244SC..Hα-helixtrans-60.3-41.1173.6-77.7171.6174.5170.80112F85 E106 A107 S112 G113F85-K110 HydrophobicContact CE1-CG 4.17Å; F85-K110 HydrophobicContact CZ-CG 4Å; E106-K110 HydrophobicContact CG-CD 4.16Å; E106-K110 WeakPolarHBondContact O-CB 3.31Å; E106-K110 VanDerWaalsContact O-CG 3.31Å; E106-K110 WeakPolarHBondContact O-CG 3.47Å; E106-K110 PolarHBondContact O-N 3.07Å; E106-K110 IonicContact OE1-NZ 3.64Å; E106-K110 PolarHBondContact OE1-NZ 3.42Å; A107-K110 PolarHBondContact O-N 3.32Å; K110-S112 PolarHBondContact O-N 3.43Å; K110-G113 PolarHBondContact O-N 3.36Å
111N91.1Very high89.2Confident107 Ų10746.5 Ų46.557%0.57225%0.248SC*.Hα-helixtrans-63.2-31.7177-172.350.2000112.1A107 E108 L109 G113A107-N111 VanDerWaalsContact O-CB 3.26Å; A107-N111 WeakPolarHBondContact O-CB 3.08Å; A107-N111 PolarHBondContact O-N 3.2Å; E108-N111 WeakPolarHBondContact O-CB 3.47Å; E108-N111 PolarHBondContact O-N 3.27Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.05Å; N111-G113 PolarHBondContact O-N 2.93Å
112S89.1Confident89.4Confident8 Ų850.7 Ų50.76%0.05627%0.266CS..THydrogen-bonded Turntrans-801.9173.7-570000113.7P78 L80 E108 L109 K110P78-S112 WeakPolarHBondContact O-CB 3.39Å; P78-S112 VanDerWaalsContact O-O 3.09Å; L80-S112 PolarHBondContact N-O 2.96Å; E108-S112 WeakPolarHBondContact O-CB 3.26Å; E108-S112 PolarHBondContact O-N 3.46Å; E108-S112 PolarHBondContact O-OG 3.34Å; L109-S112 CarbonylContact O-C 3.58Å; L109-S112 WeakPolarHBondContact O-CB 3.15Å; L109-S112 PolarHBondContact O-N 2.92Å; L109-S112 VanDerWaalsContact O-N 3.15Å; K110-S112 PolarHBondContact O-N 3.43Å
113G90.5Very high89.3Confident28 Ų2850.9 Ų50.929%0.28927%0.267SS..THydrogen-bonded Turntrans91.3-0.5179.200000115.2S81 L109 K110 N111S81-G113 WeakPolarHBondContact CA-O 3.45Å; L109-G113 PolarHBondContact O-N 2.94Å; K110-G113 PolarHBondContact O-N 3.36Å; N111-G113 PolarHBondContact O-N 2.93Å
114A91.5Very high89.2Confident7 Ų747.6 Ų47.66%0.05825%0.249CC..  trans-64.1141.2178.500000111.4L80 F85 L109L80-A114 HydrophobicContact CB-CB 3.7Å; L80-A114 HydrophobicContact CD1-CB 4.18Å; L80-A114 WeakPolarHBondContact O-CA 3.43Å; F85-A114 HydrophobicContact CD1-CB 3.5Å; F85-A114 VanDerWaalsContact CD1-CB 3.5Å; F85-A114 HydrophobicContact CE1-CB 3.77Å; L109-A114 HydrophobicContact CB-CB 4.08Å; L109-A114 WeakPolarHBondContact O-CB 3.47Å; L109-A114 PolarHBondContact O-N 3.47Å
115K91Very high88.7Confident133 Ų13347.7 Ų47.758%0.57825%0.253SS*.EExtended strand (participates in β ladder)trans-96110.1-178.9-67.1-176-177.3177.10110.6V83 R84 F85 T117V83-K115 PolarHBondContact O-N 3.46Å; R84-K115 CarbonylContact C-O 3.43Å; R84-K115 WeakPolarHBondContact CA-O 3.43Å; R84-K115 HydrophobicContact CG-CB 4.5Å; F85-K115 PolarHBondContact N-O 3.39Å; K115-T117 PolarHBondContact O-N 3.27Å
116Q91.3Very high88.1Confident55 Ų5552.4 Ų52.426%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-60.8128.6171.1-177.2174.3-1600110F85 E106 G118 T120F85-Q116 HydrophobicContact CE1-CB 3.89Å; F85-Q116 HydrophobicContact CE2-CB 4.34Å; F85-Q116 HydrophobicContact CE2-CG 4.43Å; F85-Q116 HydrophobicContact CZ-CB 3.78Å; F85-Q116 HydrophobicContact CZ-CG 4.33Å; F85-Q116 CarbonylContact O-C 3.59Å; F85-Q116 WeakPolarHBondContact O-CA 3.42Å; E106-Q116 PolarHBondContact OE1-OE1 3.38Å; E106-Q116 PolarHBondContact OE2-OE1 3.29Å; Q116-G118 WeakPolarHBondContact CG-O 3.44Å; Q116-G118 PolarHBondContact NE2-O 3.46Å; Q116-T120 PolarHBondContact NE2-OG1 2.91Å
117T87.1Confident87.2Confident17 Ų1756.5 Ų56.510%0.10430%0.301CS..  trans-109.5126172.4-58.30000108.2F85 K115 W142 L145 L146F85-T117 PolarHBondContact O-N 3.04Å; K115-T117 PolarHBondContact O-N 3.27Å; T117-W142 PolarHBondContact O-NE1 3.39Å; T117-L145 HydrophobicContact CG2-CB 3.96Å; T117-L146 HydrophobicContact CG2-CD2 3.86Å; T117-L146 HydrophobicContact CG2-CG 4.48Å
118G85.2Confident86.1Confident27 Ų2757.4 Ų57.428%0.27830%0.296SS..SBendtrans71179.1-17600000114.8Q116Q116-G118 WeakPolarHBondContact CG-O 3.44Å; Q116-G118 PolarHBondContact NE2-O 3.46Å
119E85.8Confident85.1Confident167 Ų16763.8 Ų63.878%0.7833%0.331SS*.PPolyproline II helixtrans-85.6148.3177.5-65.9-172.990.800111L121 W138E119-L121 PolarHBondContact O-N 3.1Å; E119-W138 WeakPolarHBondContact O-CZ2 3.49Å; E119-W138 PolarHBondContact O-NE1 3.06Å
120T89.7Confident84.5Confident29 Ų2968 Ų6818%0.17835%0.353CS..PPolyproline II helixtrans-71.8118.4178.6-60.60000110.2A87 I102 E106 Q116 K122A87-T120 HydrophobicContact CB-CG2 3.8Å; A87-T120 CarbonylContact O-C 3.55Å; A87-T120 VanDerWaalsContact O-CA 3.31Å; A87-T120 WeakPolarHBondContact O-CA 3.36Å; A87-T120 WeakPolarHBondContact O-CG2 3.28Å; I102-T120 HydrophobicContact CG1-CG2 4.03Å; I102-T120 HydrophobicContact CG2-CG2 4.04Å; E106-T120 WeakPolarHBondContact OE2-CB 3.38Å; E106-T120 PolarHBondContact OE2-OG1 3.46Å; Q116-T120 PolarHBondContact NE2-OG1 2.91Å; T120-K122 HydrophobicContact CG2-CG 4.48Å
121L90Very high84.1Confident30 Ų3064.6 Ų64.616%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-75.3128.1177.7-17467.3000109.5A87 I88 G89 E119 I123 A135 W138A87-L121 PolarHBondContact O-N 2.76Å; I88-L121 CarbonylContact C-O 3.52Å; I88-L121 WeakPolarHBondContact CA-O 3.17Å; I88-L121 HydrophobicContact CB-CB 4.48Å; I88-L121 HydrophobicContact CG1-CB 4.16Å; I88-L121 HydrophobicContact CG2-CB 4.22Å; I88-L121 HydrophobicContact CG2-CD2 4.04Å; I88-L121 HydrophobicContact CG2-CG 4.46Å; G89-L121 PolarHBondContact N-O 2.78Å; E119-L121 PolarHBondContact O-N 3.1Å; L121-I123 HydrophobicContact CD2-CD1 3.69Å; L121-I123 HydrophobicContact CD2-CG1 3.66Å; L121-I123 HydrophobicContact CG-CD1 4.36Å; L121-I123 HydrophobicContact CG-CG1 3.84Å; L121-A135 HydrophobicContact CD2-CB 4.26Å; L121-W138 HydrophobicContact CB-CB 4.44Å; L121-W138 HydrophobicContact CB-CD2 3.97Å; L121-W138 HydrophobicContact CB-CG 3.78Å; L121-W138 HydrophobicContact CD1-CB 3.92Å; L121-W138 HydrophobicContact CD1-CG 3.96Å; L121-W138 HydrophobicContact CD2-CB 3.64Å; L121-W138 HydrophobicContact CD2-CD2 4.35Å; L121-W138 HydrophobicContact CD2-CG 3.86Å; L121-W138 HydrophobicContact CG-CB 4.2Å; L121-W138 HydrophobicContact CG-CG 4.07Å
122K88.8Confident83.8Confident89 Ų8962.3 Ų62.339%0.38733%0.326SS..EExtended strand (participates in β ladder)trans-11896176.5-65-175.7175.6-172.10109.5G89 F98 C99 D103 T120G89-K122 CarbonylContact O-C 3.56Å; G89-K122 WeakPolarHBondContact O-CA 3.36Å; F98-K122 HydrophobicContact CD1-CB 4.46Å; F98-K122 HydrophobicContact CD1-CD 4.46Å; F98-K122 HydrophobicContact CE1-CB 3.56Å; F98-K122 HydrophobicContact CE1-CD 4.31Å; F98-K122 HydrophobicContact CE1-CG 4.48Å; F98-K122 HydrophobicContact CZ-CB 4.01Å; C99-K122 HydrophobicContact CB-CB 4.3Å; C99-K122 HydrophobicContact CB-CD 3.83Å; C99-K122 HydrophobicContact CB-CG 3.88Å; D103-K122 IonicContact OD2-NZ 3.65Å; T120-K122 HydrophobicContact CG2-CG 4.48Å
123I86.2Confident83.7Confident3 Ų366.7 Ų66.72%0.01535%0.349CS..EExtended strand (participates in β ladder)trans-83.9128.2-178.2-56.7164.9000109.2I88 G89 I90 G91 L121 P131 P134 A135I88-I123 HydrophobicContact CG2-CD1 3.76Å; I88-I123 HydrophobicContact CG2-CG1 4.46Å; G89-I123 PolarHBondContact O-N 2.76Å; I90-I123 HydrophobicContact CG1-CB 4.21Å; I90-I123 HydrophobicContact CG1-CD1 3.95Å; G91-I123 PolarHBondContact N-O 2.74Å; L121-I123 HydrophobicContact CD2-CD1 3.69Å; L121-I123 HydrophobicContact CD2-CG1 3.66Å; L121-I123 HydrophobicContact CG-CD1 4.36Å; L121-I123 HydrophobicContact CG-CG1 3.84Å; I123-P131 HydrophobicContact CD1-CB 4.38Å; I123-P131 WeakPolarHBondContact CD1-O 3.4Å; I123-P131 HydrophobicContact CG2-CB 3.74Å; I123-P134 HydrophobicContact CD1-CG 4.38Å; I123-P134 HydrophobicContact CG1-CG 4.11Å; I123-P134 HydrophobicContact CG2-CG 4.01Å; I123-A135 HydrophobicContact CD1-CB 3.95Å
124N85.4Confident83.6Confident13 Ų1366.2 Ų66.27%0.0734%0.341CS..EExtended strand (participates in β ladder)trans-98.4110.4173.6-175.323.5000109.9G91 S92 R93 F98 L126 D127 H128G91-N124 CarbonylContact O-C 3.51Å; G91-N124 VanDerWaalsContact O-CA 3.26Å; G91-N124 WeakPolarHBondContact O-CA 3.35Å; G91-N124 PolarHBondContact O-OD1 3.02Å; S92-N124 WeakPolarHBondContact CA-OD1 3.26Å; R93-N124 HydrophobicContact CG-CB 4.45Å; R93-N124 PolarHBondContact N-OD1 3.41Å; F98-N124 HydrophobicContact CE2-CB 3.89Å; F98-N124 HydrophobicContact CZ-CB 3.95Å; N124-L126 PolarHBondContact O-N 3.23Å; N124-L126 VanDerWaalsContact O-N 3.1Å; N124-L126 PolarHBondContact OD1-N 3.05Å; N124-D127 HydrophobicContact CB-CB 3.97Å; N124-D127 PolarHBondContact O-N 2.99Å; N124-H128 PolarHBondContact O-N 3.45Å; N124-H128 VanDerWaalsContact O-N 3.09Å
125I78.2Confident83.5Confident84 Ų8465.9 Ų65.943%0.43134%0.338SS..THydrogen-bonded Turntrans-65.5-13.3-179.867.1171.2000113.4I90 G91 S92I90-I125 HydrophobicContact CG2-CG2 3.33Å; G91-I125 PolarHBondContact O-N 3.12Å; S92-I125 WeakPolarHBondContact OG-CD1 3.39Å; S92-I125 WeakPolarHBondContact OG-CG1 3.24Å
126L75.2Confident83.4Confident98 Ų9863 Ų6351%0.51333%0.327SS..THydrogen-bonded Turntrans-80.9-26.2171.3-68180000113.7E94 N124E94-L126 HydrophobicContact CB-CD1 4.49Å; E94-L126 HydrophobicContact CG-CD1 3.26Å; E94-L126 HydrophobicContact CG-CD2 4.23Å; E94-L126 HydrophobicContact CG-CG 4.12Å; N124-L126 PolarHBondContact O-N 3.23Å; N124-L126 VanDerWaalsContact O-N 3.1Å; N124-L126 PolarHBondContact OD1-N 3.05Å
127D74.3Confident83.3Confident116 Ų11667.2 Ų67.262%0.6235%0.347SS*.THydrogen-bonded Turntrans-92-37.9-175.2-149.2-97.9000110.3N124N124-D127 HydrophobicContact CB-CB 3.97Å; N124-D127 PolarHBondContact O-N 2.99Å
128H66.4Low83.5Confident68 Ų6868 Ų6832%0.31535%0.347SS..  trans-113.9116.8178.2-61.7-92.3000109.8N124 I130 P134N124-H128 PolarHBondContact O-N 3.45Å; N124-H128 VanDerWaalsContact O-N 3.09Å; H128-I130 PolarHBondContact O-N 3.28Å; H128-P134 HydrophobicContact CB-CG 4.49Å
129D69.1Low83.7Confident164 Ų16466.9 Ų66.988%0.87734%0.335SS*.SBendtrans-59.8-32.2172.1-161.3-102.6000110.9
130I79.1Confident83.8Confident91 Ų9161.2 Ų61.247%0.46732%0.321SS..  trans-120.4107.3-179.9-57.4172000108.8H128 E132H128-I130 PolarHBondContact O-N 3.28Å; I130-E132 HydrophobicContact CG2-CB 3.84Å; I130-E132 HydrophobicContact CG2-CG 4.28Å; I130-E132 WeakPolarHBondContact CG2-OE2 3.35Å; I130-E132 PolarHBondContact O-N 3.42Å
131P80.7Confident83.7Confident23 Ų2363.6 Ų63.615%0.14934%0.339CS..THydrogen-bonded Turntrans-71.2-14.4179.829.9-35.9000113.4V18 I123 P134 A135V18-P131 HydrophobicContact CG2-CB 3.75Å; V18-P131 HydrophobicContact CG2-CG 3.6Å; I123-P131 HydrophobicContact CD1-CB 4.38Å; I123-P131 WeakPolarHBondContact CD1-O 3.4Å; I123-P131 HydrophobicContact CG2-CB 3.74Å; P131-P134 WeakPolarHBondContact O-CD 3.47Å; P131-P134 WeakPolarHBondContact O-CG 3.25Å; P131-A135 WeakPolarHBondContact O-CB 3.47Å; P131-A135 PolarHBondContact O-N 3.3Å
132E85.5Confident83.7Confident59 Ų5962.2 Ų62.228%0.27633%0.332SS..Hα-helixtrans-67.3-34.2179.8-63.4157.491.500112.7V18 H21 I130 A135 E136V18-E132 HydrophobicContact CG2-CG 4.2Å; H21-E132 HydrophobicContact CB-CB 4.48Å; H21-E132 HydrophobicContact CB-CG 4Å; H21-E132 IonicContact CG-OE1 3.63Å; H21-E132 IonicContact ND1-OE1 2.62Å; I130-E132 HydrophobicContact CG2-CB 3.84Å; I130-E132 HydrophobicContact CG2-CG 4.28Å; I130-E132 WeakPolarHBondContact CG2-OE2 3.35Å; I130-E132 PolarHBondContact O-N 3.42Å; E132-A135 WeakPolarHBondContact O-CB 3.46Å; E132-A135 PolarHBondContact O-N 2.81Å; E132-E136 WeakPolarHBondContact O-CB 3.46Å; E132-E136 PolarHBondContact O-N 3.34Å
133D86.4Confident83.5Confident100 Ų10058.8 Ų58.854%0.53532%0.318SS..Hα-helixtrans-61.9-56.7-177.5-174.4-97.4000112.7A135 E136 E137D133-A135 PolarHBondContact O-N 3.28Å; D133-E136 PolarHBondContact O-N 3.17Å; D133-E137 PolarHBondContact O-N 3.22Å
134P88.3Confident83.5Confident17 Ų1764.2 Ų64.211%0.1135%0.347CS..Hα-helixtrans-66.1-27.6174.826.7-35.5000112.7I123 H128 P131 W138I123-P134 HydrophobicContact CD1-CG 4.38Å; I123-P134 HydrophobicContact CG1-CG 4.11Å; I123-P134 HydrophobicContact CG2-CG 4.01Å; H128-P134 HydrophobicContact CB-CG 4.49Å; P131-P134 WeakPolarHBondContact O-CD 3.47Å; P131-P134 WeakPolarHBondContact O-CG 3.25Å; P134-W138 VanDerWaalsContact O-CB 3.29Å; P134-W138 WeakPolarHBondContact O-CB 3.34Å; P134-W138 PolarHBondContact O-N 3.13Å; P134-W138 VanDerWaalsContact O-N 3.13Å
135A89.4Confident83.5Confident0 Ų068.3 Ų68.30%037%0.369CS..Hα-helixtrans-67.1-43.5176.400000111.6V18 L22 L121 I123 P131 E132 D133 W138 L139V18-A135 HydrophobicContact CG1-CB 3.57Å; L22-A135 HydrophobicContact CD1-CB 4.19Å; L22-A135 HydrophobicContact CD2-CB 3.87Å; L22-A135 WeakPolarHBondContact CD2-O 3.45Å; L22-A135 HydrophobicContact CG-CB 4.29Å; L121-A135 HydrophobicContact CD2-CB 4.26Å; I123-A135 HydrophobicContact CD1-CB 3.95Å; P131-A135 WeakPolarHBondContact O-CB 3.47Å; P131-A135 PolarHBondContact O-N 3.3Å; E132-A135 WeakPolarHBondContact O-CB 3.46Å; E132-A135 PolarHBondContact O-N 2.81Å; D133-A135 PolarHBondContact O-N 3.28Å; A135-W138 PolarHBondContact O-N 2.83Å; A135-L139 VanDerWaalsContact O-CB 3.25Å; A135-L139 WeakPolarHBondContact O-CB 3.31Å; A135-L139 PolarHBondContact O-N 3.45Å
136E89.6Confident83.4Confident74 Ų7465.3 Ų65.335%0.34635%0.354SS..Hα-helixtrans-64-46.1178.3-179.6174.6132.600111.6H21 K25 E132 D133 W138 L139 G140H21-E136 IonicContact CD2-OE2 2.72Å; H21-E136 IonicContact CE1-OE2 3.9Å; H21-E136 IonicContact NE2-OE2 3.52Å; H21-E136 PolarHBondContact NE2-OE2 3.07Å; K25-E136 HydrophobicContact CD-CG 4.21Å; K25-E136 WeakPolarHBondContact CD-OE2 3.46Å; K25-E136 WeakPolarHBondContact CE-OE2 3.29Å; K25-E136 HydrophobicContact CG-CG 4.41Å; K25-E136 IonicContact NZ-OE1 3.39Å; K25-E136 PolarHBondContact NZ-OE1 2.89Å; K25-E136 IonicContact NZ-OE2 3.19Å; K25-E136 PolarHBondContact NZ-OE2 2.94Å; E132-E136 WeakPolarHBondContact O-CB 3.46Å; E132-E136 PolarHBondContact O-N 3.34Å; D133-E136 PolarHBondContact O-N 3.17Å; E136-W138 VanDerWaalsContact C-N 3.33Å; E136-W138 PolarHBondContact O-N 3.44Å; E136-L139 WeakPolarHBondContact O-CB 3.37Å; E136-L139 PolarHBondContact O-N 2.93Å; E136-G140 PolarHBondContact O-N 3.48Å
137E89.3Confident83Confident143 Ų14370.7 Ų70.767%0.66837%0.373SS*.Hα-helixtrans-60.4-44.8177-71-158.1103.500111.8D133 L139 G140 S141D133-E137 PolarHBondContact O-N 3.22Å; E137-L139 VanDerWaalsContact C-N 3.35Å; E137-G140 PolarHBondContact O-N 3.21Å; E137-S141 PolarHBondContact O-N 3.3Å; E137-S141 PolarHBondContact O-OG 3.37Å
138W91.2Very high83.5Confident32 Ų3268.4 Ų68.412%0.12136%0.36CS..Hα-helixtrans-63.2-42.7176.2179.589.2000111.6L51 I88 E119 L121 P134 A135 E136 G140 S141 W142L51-W138 HydrophobicContact CD1-CH2 3.65Å; L51-W138 HydrophobicContact CD1-CZ3 3.56Å; I88-W138 HydrophobicContact CD1-CE3 3.74Å; I88-W138 HydrophobicContact CD1-CH2 4.45Å; I88-W138 HydrophobicContact CD1-CZ3 3.69Å; I88-W138 HydrophobicContact CG1-CE3 4.11Å; I88-W138 HydrophobicContact CG1-CH2 4.2Å; I88-W138 HydrophobicContact CG1-CZ3 3.92Å; E119-W138 WeakPolarHBondContact O-CZ2 3.49Å; E119-W138 PolarHBondContact O-NE1 3.06Å; L121-W138 HydrophobicContact CB-CB 4.44Å; L121-W138 HydrophobicContact CB-CD2 3.97Å; L121-W138 HydrophobicContact CB-CG 3.78Å; L121-W138 HydrophobicContact CD1-CB 3.92Å; L121-W138 HydrophobicContact CD1-CG 3.96Å; L121-W138 HydrophobicContact CD2-CB 3.64Å; L121-W138 HydrophobicContact CD2-CD2 4.35Å; L121-W138 HydrophobicContact CD2-CG 3.86Å; L121-W138 HydrophobicContact CG-CB 4.2Å; L121-W138 HydrophobicContact CG-CG 4.07Å; P134-W138 VanDerWaalsContact O-CB 3.29Å; P134-W138 WeakPolarHBondContact O-CB 3.34Å; P134-W138 PolarHBondContact O-N 3.13Å; P134-W138 VanDerWaalsContact O-N 3.13Å; A135-W138 PolarHBondContact O-N 2.83Å; E136-W138 VanDerWaalsContact C-N 3.33Å; E136-W138 PolarHBondContact O-N 3.44Å; W138-G140 VanDerWaalsContact C-N 3.33Å; W138-G140 PolarHBondContact O-N 3.39Å; W138-S141 WeakPolarHBondContact O-CB 3.48Å; W138-S141 PolarHBondContact O-N 3.33Å; W138-S141 VanDerWaalsContact O-N 3.17Å; W138-W142 HydrophobicContact CD2-CB 4.35Å; W138-W142 HydrophobicContact CE3-CB 4.06Å; W138-W142 HydrophobicContact CE3-CG 4.47Å; W138-W142 HydrophobicContact CH2-CB 3.91Å; W138-W142 AromaticContact CH2-CD1 3.35Å; W138-W142 AromaticContact CH2-CD2 3.91Å; W138-W142 HydrophobicContact CH2-CD2 3.91Å; W138-W142 AromaticContact CH2-CG 3.48Å; W138-W142 HydrophobicContact CH2-CG 3.48Å; W138-W142 VanDerWaalsContact CH2-CG 3.48Å; W138-W142 AromaticContact CH2-NE1 3.71Å; W138-W142 HydrophobicContact CZ2-CB 4.22Å; W138-W142 AromaticContact CZ2-CD1 3.59Å; W138-W142 AromaticContact CZ2-CG 4Å; W138-W142 HydrophobicContact CZ2-CG 4Å; W138-W142 HydrophobicContact CZ3-CB 3.81Å; W138-W142 HydrophobicContact CZ3-CD2 4.05Å; W138-W142 HydrophobicContact CZ3-CE3 4.5Å; W138-W142 AromaticContact CZ3-CG 3.74Å; W138-W142 HydrophobicContact CZ3-CG 3.74Å; W138-W142 WeakPolarHBondContact O-CB 2.96Å; W138-W142 PolarHBondContact O-N 3.48Å
139L89Confident84.4Confident5 Ų568.4 Ų68.43%0.02636%0.363CS..Hα-helixtrans-60.5-43.6178-17778.2000110.9L22 K25 L26 L51 A135 E136 E137 S141 W142 V143L22-L139 HydrophobicContact CB-CD2 4.19Å; L22-L139 HydrophobicContact CD2-CB 3.73Å; L22-L139 HydrophobicContact CD2-CD1 4.35Å; L22-L139 HydrophobicContact CD2-CD2 3.69Å; L22-L139 HydrophobicContact CD2-CG 4.11Å; K25-L139 HydrophobicContact CB-CD2 3.66Å; L26-L139 HydrophobicContact CD1-CD1 4.09Å; L26-L139 HydrophobicContact CD2-CD1 3.93Å; L26-L139 HydrophobicContact CD2-CD2 4.2Å; L26-L139 HydrophobicContact CD2-CG 4.27Å; L26-L139 HydrophobicContact CG-CD1 3.99Å; L26-L139 HydrophobicContact CG-CD2 3.9Å; L26-L139 HydrophobicContact CG-CG 4.39Å; L51-L139 HydrophobicContact CD2-CD1 4.12Å; A135-L139 VanDerWaalsContact O-CB 3.25Å; A135-L139 WeakPolarHBondContact O-CB 3.31Å; A135-L139 PolarHBondContact O-N 3.45Å; E136-L139 WeakPolarHBondContact O-CB 3.37Å; E136-L139 PolarHBondContact O-N 2.93Å; E137-L139 VanDerWaalsContact C-N 3.35Å; L139-S141 VanDerWaalsContact C-N 3.26Å; L139-S141 PolarHBondContact O-N 3Å; L139-W142 HydrophobicContact CD1-CE3 4Å; L139-W142 HydrophobicContact CD1-CZ3 4.36Å; L139-W142 PolarHBondContact O-N 2.99Å; L139-W142 VanDerWaalsContact O-N 3.1Å; L139-V143 HydrophobicContact CD1-CG2 4.23Å; L139-V143 HydrophobicContact CG-CG2 4.05Å; L139-V143 WeakPolarHBondContact O-CB 3.43Å; L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.44Å; L139-V143 PolarHBondContact O-N 3.22Å
140G87.4Confident85.2Confident47 Ų4763.1 Ų63.149%0.48533%0.334SS..Hα-helixtrans-57.3-40.6176.300000112.7E136 E137 W138 N144E136-G140 PolarHBondContact O-N 3.48Å; E137-G140 PolarHBondContact O-N 3.21Å; W138-G140 VanDerWaalsContact C-N 3.33Å; W138-G140 PolarHBondContact O-N 3.39Å; G140-N144 PolarHBondContact O-N 3.09Å
141S88.4Confident85.6Confident79 Ų7961.5 Ų61.555%0.55233%0.326SS*.Hα-helixtrans-69.5-41.4174.2-620000112E137 W138 L139 N144 L145E137-S141 PolarHBondContact O-N 3.3Å; E137-S141 PolarHBondContact O-OG 3.37Å; W138-S141 WeakPolarHBondContact O-CB 3.48Å; W138-S141 PolarHBondContact O-N 3.33Å; W138-S141 VanDerWaalsContact O-N 3.17Å; L139-S141 VanDerWaalsContact C-N 3.26Å; L139-S141 PolarHBondContact O-N 3Å; S141-N144 VanDerWaalsContact O-CB 3.31Å; S141-N144 WeakPolarHBondContact O-CB 3.37Å; S141-N144 PolarHBondContact O-N 2.95Å; S141-L145 PolarHBondContact O-N 3.1Å
142W89.6Confident85.9Confident2 Ų263.9 Ų63.91%0.00834%0.337CS..Hα-helixtrans-67.8-42.7-179.1-174.582000113I4 I49 L51 T117 W138 L139 N144 L145 L146I4-W142 HydrophobicContact CD1-CZ3 4.39Å; I4-W142 HydrophobicContact CG2-CH2 4.2Å; I4-W142 HydrophobicContact CG2-CZ3 4.33Å; I49-W142 HydrophobicContact CG2-CH2 3.21Å; I49-W142 HydrophobicContact CG2-CZ2 3.53Å; I49-W142 HydrophobicContact CG2-CZ3 4.25Å; L51-W142 HydrophobicContact CB-CH2 4.28Å; L51-W142 HydrophobicContact CD1-CH2 4.11Å; L51-W142 HydrophobicContact CD1-CZ2 4.2Å; L51-W142 HydrophobicContact CD1-CZ3 4.39Å; T117-W142 PolarHBondContact O-NE1 3.39Å; W138-W142 HydrophobicContact CD2-CB 4.35Å; W138-W142 HydrophobicContact CE3-CB 4.06Å; W138-W142 HydrophobicContact CE3-CG 4.47Å; W138-W142 HydrophobicContact CH2-CB 3.91Å; W138-W142 AromaticContact CH2-CD1 3.35Å; W138-W142 AromaticContact CH2-CD2 3.91Å; W138-W142 HydrophobicContact CH2-CD2 3.91Å; W138-W142 AromaticContact CH2-CG 3.48Å; W138-W142 HydrophobicContact CH2-CG 3.48Å; W138-W142 VanDerWaalsContact CH2-CG 3.48Å; W138-W142 AromaticContact CH2-NE1 3.71Å; W138-W142 HydrophobicContact CZ2-CB 4.22Å; W138-W142 AromaticContact CZ2-CD1 3.59Å; W138-W142 AromaticContact CZ2-CG 4Å; W138-W142 HydrophobicContact CZ2-CG 4Å; W138-W142 HydrophobicContact CZ3-CB 3.81Å; W138-W142 HydrophobicContact CZ3-CD2 4.05Å; W138-W142 HydrophobicContact CZ3-CE3 4.5Å; W138-W142 AromaticContact CZ3-CG 3.74Å; W138-W142 HydrophobicContact CZ3-CG 3.74Å; W138-W142 WeakPolarHBondContact O-CB 2.96Å; W138-W142 PolarHBondContact O-N 3.48Å; L139-W142 HydrophobicContact CD1-CE3 4Å; L139-W142 HydrophobicContact CD1-CZ3 4.36Å; L139-W142 PolarHBondContact O-N 2.99Å; L139-W142 VanDerWaalsContact O-N 3.1Å; W142-N144 PolarHBondContact O-N 3.2Å; W142-L145 WeakPolarHBondContact O-CA 3.45Å; W142-L145 VanDerWaalsContact O-CB 3.31Å; W142-L145 WeakPolarHBondContact O-CB 3.36Å; W142-L145 PolarHBondContact O-N 2.87Å; W142-L146 HydrophobicContact CD2-CD1 4.08Å; W142-L146 HydrophobicContact CD2-CG 4.45Å; W142-L146 HydrophobicContact CE3-CD1 3.55Å; W142-L146 HydrophobicContact CE3-CG 4.36Å; W142-L146 HydrophobicContact CH2-CD1 3.74Å; W142-L146 HydrophobicContact CZ2-CD1 4.17Å; W142-L146 HydrophobicContact CZ2-CD2 4.44Å; W142-L146 HydrophobicContact CZ3-CD1 3.38Å; W142-L146 HydrophobicContact CZ3-CG 4.48Å; W142-L146 PolarHBondContact O-N 3.31Å
143V85.9Confident85.9Confident16 Ų1664.2 Ų64.210%0.09734%0.341CS..Hα-helixtrans-59.7-34.4173.3170.90000111.4L26 F31 L139 L145 L146 K147L26-V143 HydrophobicContact CD2-CG2 3.28Å; F31-V143 HydrophobicContact CD2-CG1 4.45Å; F31-V143 HydrophobicContact CE2-CG1 3.6Å; F31-V143 HydrophobicContact CZ-CG1 4.18Å; L139-V143 HydrophobicContact CD1-CG2 4.23Å; L139-V143 HydrophobicContact CG-CG2 4.05Å; L139-V143 WeakPolarHBondContact O-CB 3.43Å; L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.44Å; L139-V143 PolarHBondContact O-N 3.22Å; V143-L145 VanDerWaalsContact C-N 3.29Å; V143-L145 PolarHBondContact O-N 3.32Å; V143-L146 PolarHBondContact O-N 2.79Å; V143-K147 PolarHBondContact O-N 3.19Å
144N85.6Confident85.9Confident118 Ų11861.6 Ų61.663%0.63133%0.328SS*.Hα-helixtrans-64.6-34.9174.3-157-42.6000111.8G140 S141 W142 L146G140-N144 PolarHBondContact O-N 3.09Å; S141-N144 VanDerWaalsContact O-CB 3.31Å; S141-N144 WeakPolarHBondContact O-CB 3.37Å; S141-N144 PolarHBondContact O-N 2.95Å; W142-N144 PolarHBondContact O-N 3.2Å; N144-L146 VanDerWaalsContact C-N 3.25Å; N144-L146 PolarHBondContact O-N 2.72Å
145L84.9Confident85.7Confident99 Ų9965.1 Ų65.152%0.51834%0.344SS..Hα-helixtrans-72.1-17.6175.3-60.4170.6000113.5T117 S141 W142 V143T117-L145 HydrophobicContact CG2-CB 3.96Å; S141-L145 PolarHBondContact O-N 3.1Å; W142-L145 WeakPolarHBondContact O-CA 3.45Å; W142-L145 VanDerWaalsContact O-CB 3.31Å; W142-L145 WeakPolarHBondContact O-CB 3.36Å; W142-L145 PolarHBondContact O-N 2.87Å; V143-L145 VanDerWaalsContact C-N 3.29Å; V143-L145 PolarHBondContact O-N 3.32Å
146L76.9Confident85.4Confident21 Ų2170.5 Ų70.511%0.1137%0.373CS..Hα-helixtrans-85.3-23.1178.7-67.5174.9000113.6I4 I49 T117 W142 V143 N144I4-L146 HydrophobicContact CD1-CD1 4.16Å; I49-L146 HydrophobicContact CD1-CD1 3.91Å; I49-L146 HydrophobicContact CD1-CD2 3.65Å; I49-L146 HydrophobicContact CD1-CG 4.26Å; I49-L146 HydrophobicContact CG1-CD2 3.97Å; I49-L146 HydrophobicContact CG2-CD1 4.2Å; I49-L146 HydrophobicContact CG2-CD2 4.04Å; T117-L146 HydrophobicContact CG2-CD2 3.86Å; T117-L146 HydrophobicContact CG2-CG 4.48Å; W142-L146 HydrophobicContact CD2-CD1 4.08Å; W142-L146 HydrophobicContact CD2-CG 4.45Å; W142-L146 HydrophobicContact CE3-CD1 3.55Å; W142-L146 HydrophobicContact CE3-CG 4.36Å; W142-L146 HydrophobicContact CH2-CD1 3.74Å; W142-L146 HydrophobicContact CZ2-CD1 4.17Å; W142-L146 HydrophobicContact CZ2-CD2 4.44Å; W142-L146 HydrophobicContact CZ3-CD1 3.38Å; W142-L146 HydrophobicContact CZ3-CG 4.48Å; W142-L146 PolarHBondContact O-N 3.31Å; V143-L146 PolarHBondContact O-N 2.79Å; N144-L146 VanDerWaalsContact C-N 3.25Å; N144-L146 PolarHBondContact O-N 2.72Å
147K66.7Low85Confident210 Ų21070.2 Ų70.291%0.91338%0.375SS*.  trans-74.60176.9-71.4-174178.2179.60112.2V143V143-K147 PolarHBondContact O-N 3.19Å

Retrieved 147 of 147 residues in 49.6 ms (Link to these results)

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