A0A060XMJ1_ONCMY Loading...

Small ribosomal subunit protein uS8

AlphaFold DB (A0A3P9MQD3), UniProt , Accession A0A060XMJ1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110485732, Length 130 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.3Low86.7Confident244 Ų24479 Ų79100%1.20241%0.407SS*.  0122.80-166.3-177.2-71.400108.1
2V80.9Confident87.4Confident121 Ų12184 Ų8473%0.73342%0.423SS*.  trans-85.9139.4-172.4-178.10000110.6M4V2-M4 HydrophobicContact CG1-SD 4.42Å
3R80.4Confident88.1Confident142 Ų14281.7 Ų81.754%0.53642%0.42SS..  trans-86.7110.6-178.6-161.1-175-72.1147.9-5.1110.1D9 P29R3-D9 WeakPolarHBondContact CD-OD2 3.43Å; R3-D9 WeakPolarHBondContact CG-OD2 3.39Å; R3-D9 IonicContact NE-OD2 2.84Å; R3-P29 VanDerWaalsContact NH1-CD 3.32Å
4M86.9Confident88.6Confident172 Ų17275.9 Ų75.985%0.84739%0.39SS*.  trans-90.9-38.4-173.5-64.7-60.9-166.400114.1V2V2-M4 HydrophobicContact CG1-SD 4.42Å
5N88.7Confident89.1Confident36 Ų3671.9 Ų71.919%0.19337%0.37CS..  trans-139.598.7-176.5-171.7-11.9000111.7L7 A8 D9N5-L7 PolarHBondContact O-N 2.88Å; N5-L7 PolarHBondContact OD1-N 2.8Å; N5-L7 VanDerWaalsContact OD1-N 3.16Å; N5-A8 HydrophobicContact CB-CB 4.01Å; N5-A8 WeakPolarHBondContact O-CB 3.37Å; N5-A8 PolarHBondContact O-N 3.07Å; N5-A8 VanDerWaalsContact O-N 3.11Å; N5-A8 PolarHBondContact OD1-N 2.83Å; N5-D9 PolarHBondContact O-N 3.05Å
6V92.4Very high89.5Confident47 Ų4772.4 Ų72.429%0.28537%0.373SS..Hα-helixtrans-61.6-29.8-178.4-62.80000113.5A10 P29 I34V6-A10 WeakPolarHBondContact O-CB 3.43Å; V6-A10 PolarHBondContact O-N 2.84Å; V6-A10 VanDerWaalsContact O-N 3.11Å; V6-P29 HydrophobicContact CB-CG 4.03Å; V6-P29 HydrophobicContact CG1-CG 3.52Å; V6-I34 HydrophobicContact CB-CD1 4.26Å; V6-I34 HydrophobicContact CG2-CD1 4.17Å
7L93.6Very high89.9Confident2 Ų268.5 Ų68.51%0.0136%0.355CS..Hα-helixtrans-70.9-38.3177.3-175.667.8000110.8N5 D9 A10 L11 V33 I34 F37 V74N5-L7 PolarHBondContact O-N 2.88Å; N5-L7 PolarHBondContact OD1-N 2.8Å; N5-L7 VanDerWaalsContact OD1-N 3.16Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-A10 PolarHBondContact O-N 3Å; L7-L11 HydrophobicContact CD1-CG 4.37Å; L7-L11 HydrophobicContact CG-CG 4.47Å; L7-L11 WeakPolarHBondContact O-CG 3.21Å; L7-L11 PolarHBondContact O-N 2.84Å; L7-V33 HydrophobicContact CD2-CG1 4.2Å; L7-I34 HydrophobicContact CB-CG1 4.41Å; L7-I34 HydrophobicContact CD1-CB 4.37Å; L7-I34 HydrophobicContact CD1-CG1 3.73Å; L7-F37 HydrophobicContact CD1-CB 4.18Å; L7-F37 HydrophobicContact CD1-CD2 4.37Å; L7-F37 HydrophobicContact CD1-CG 4.25Å; L7-F37 HydrophobicContact CD2-CD2 4.27Å; L7-V74 HydrophobicContact CB-CG2 4.11Å; L7-V74 HydrophobicContact CD2-CG1 4.48Å; L7-V74 HydrophobicContact CD2-CG2 3.83Å; L7-V74 HydrophobicContact CG-CG2 3.57Å
8A94.2Very high90.1Very high35 Ų3565.8 Ų65.829%0.28934%0.34SS..Hα-helixtrans-64.7-42.6178.600000111.1N5 K12 V74N5-A8 HydrophobicContact CB-CB 4.01Å; N5-A8 WeakPolarHBondContact O-CB 3.37Å; N5-A8 PolarHBondContact O-N 3.07Å; N5-A8 VanDerWaalsContact O-N 3.11Å; N5-A8 PolarHBondContact OD1-N 2.83Å; A8-K12 WeakPolarHBondContact O-CB 3.32Å; A8-K12 PolarHBondContact O-N 2.88Å; A8-V74 HydrophobicContact CB-CB 4.16Å; A8-V74 HydrophobicContact CB-CG1 4.46Å; A8-V74 HydrophobicContact CB-CG2 4.15Å
9D93.7Very high90.3Very high65 Ų6570.4 Ų70.435%0.34836%0.357SS..Hα-helixtrans-63.6-41.9176.5-65.1-23.2000111.6R3 N5 L7 S13R3-D9 WeakPolarHBondContact CD-OD2 3.43Å; R3-D9 WeakPolarHBondContact CG-OD2 3.39Å; R3-D9 IonicContact NE-OD2 2.84Å; N5-D9 PolarHBondContact O-N 3.05Å; L7-D9 VanDerWaalsContact C-N 3.35Å; D9-S13 WeakPolarHBondContact O-CB 3.41Å; D9-S13 PolarHBondContact O-N 2.86Å; D9-S13 PolarHBondContact O-OG 3.28Å
10A94.4Very high90.6Very high2 Ų276.8 Ų76.82%0.01738%0.377CS..Hα-helixtrans-62.5-54177.900000112.1V6 L7 K12 S13 I14 I27 I34V6-A10 WeakPolarHBondContact O-CB 3.43Å; V6-A10 PolarHBondContact O-N 2.84Å; V6-A10 VanDerWaalsContact O-N 3.11Å; L7-A10 PolarHBondContact O-N 3Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 2.83Å; A10-S13 WeakPolarHBondContact O-CB 3.3Å; A10-S13 PolarHBondContact O-N 2.79Å; A10-I14 WeakPolarHBondContact O-CG1 3.48Å; A10-I14 PolarHBondContact O-N 3Å; A10-I27 HydrophobicContact CB-CD1 4.37Å; A10-I27 HydrophobicContact CB-CG2 3.53Å; A10-I34 HydrophobicContact CB-CD1 3.92Å; A10-I34 HydrophobicContact CB-CG1 4.16Å; A10-I34 HydrophobicContact CB-CG2 4.21Å
11L95.4Very high90.7Very high3 Ų376.1 Ų76.12%0.01639%0.389CS..Hα-helixtrans-64.4-37.2179.8-64.3-167.9000111.8L7 S13 I14 N15 F37 M41 C72 V74L7-L11 HydrophobicContact CD1-CG 4.37Å; L7-L11 HydrophobicContact CG-CG 4.47Å; L7-L11 WeakPolarHBondContact O-CG 3.21Å; L7-L11 PolarHBondContact O-N 2.84Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.29Å; L11-I14 HydrophobicContact CD2-CD1 4.1Å; L11-I14 PolarHBondContact O-N 3Å; L11-N15 WeakPolarHBondContact O-CB 3.37Å; L11-N15 PolarHBondContact O-N 2.97Å; L11-F37 HydrophobicContact CD1-CD1 4.41Å; L11-F37 HydrophobicContact CD1-CE1 3.78Å; L11-F37 HydrophobicContact CD1-CE2 4.29Å; L11-F37 HydrophobicContact CD1-CZ 3.71Å; L11-F37 HydrophobicContact CD2-CD1 3.98Å; L11-F37 HydrophobicContact CD2-CE1 3.85Å; L11-F37 HydrophobicContact CG-CE1 4.49Å; L11-M41 HydrophobicContact CD2-SD 4.34Å; L11-C72 HydrophobicContact CD2-CB 4.38Å; L11-C72 PolarHBondContact O-SG 3.05Å; L11-V74 HydrophobicContact CB-CG2 4.38Å; L11-V74 HydrophobicContact CD1-CG2 3.53Å; L11-V74 HydrophobicContact CG-CG2 4.06Å
12K95.5Very high92.7Very high139 Ų13970 Ų7060%0.60436%0.356SS*.Hα-helixtrans-63.6-38.5175.3-170.5168.5-176177.10112A8 A10 N16A8-K12 WeakPolarHBondContact O-CB 3.32Å; A8-K12 PolarHBondContact O-N 2.88Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 2.83Å; K12-N16 WeakPolarHBondContact O-CB 3.48Å; K12-N16 PolarHBondContact O-N 2.85Å; K12-N16 PolarHBondContact O-ND2 2.92Å
13S95.6Very high93.3Very high54 Ų5474.6 Ų74.638%0.37836%0.36SS..Hα-helixtrans-65.9-42176.7-58.90000111.6D9 A10 L11 A17D9-S13 WeakPolarHBondContact O-CB 3.41Å; D9-S13 PolarHBondContact O-N 2.86Å; D9-S13 PolarHBondContact O-OG 3.28Å; A10-S13 WeakPolarHBondContact O-CB 3.3Å; A10-S13 PolarHBondContact O-N 2.79Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.35Å; S13-A17 PolarHBondContact O-N 3.11Å
14I95.8Very high94.1Very high0 Ų073.3 Ų73.30%036%0.36CS..Hα-helixtrans-61.2-52.6174.4-67.5164.6000110.7A10 L11 N16 A17 E18 V25 I27 L38 L65 L69A10-I14 WeakPolarHBondContact O-CG1 3.48Å; A10-I14 PolarHBondContact O-N 3Å; L11-I14 HydrophobicContact CD2-CD1 4.1Å; L11-I14 PolarHBondContact O-N 3Å; I14-N16 VanDerWaalsContact C-N 3.3Å; I14-N16 PolarHBondContact O-N 3.15Å; I14-A17 PolarHBondContact O-N 3.03Å; I14-E18 PolarHBondContact O-N 2.98Å; I14-V25 HydrophobicContact CG1-CG1 4.45Å; I14-I27 HydrophobicContact CD1-CD1 3.68Å; I14-I27 HydrophobicContact CG1-CD1 3.86Å; I14-L38 HydrophobicContact CD1-CD2 3.69Å; I14-L65 HydrophobicContact CG2-CD2 4.08Å; I14-L69 HydrophobicContact CG2-CD2 3.54Å
15N96Very high94.5Very high17 Ų1765.6 Ų65.69%0.09132%0.323CS..Hα-helixtrans-59.1-41.7-178.3-164.8-10.3000111.9L11 A17 K19 C72L11-N15 WeakPolarHBondContact O-CB 3.37Å; L11-N15 PolarHBondContact O-N 2.97Å; N15-A17 VanDerWaalsContact C-N 3.33Å; N15-A17 PolarHBondContact O-N 2.74Å; N15-K19 WeakPolarHBondContact O-CB 3.38Å; N15-K19 VanDerWaalsContact O-CG 3.29Å; N15-K19 WeakPolarHBondContact O-CG 3.43Å; N15-K19 PolarHBondContact O-N 2.89Å; N15-K19 VanDerWaalsContact OD1-CE 3.26Å; N15-K19 WeakPolarHBondContact OD1-CE 3.14Å; N15-C72 PolarHBondContact ND2-O 3.43Å
16N96.1Very high94.9Very high79 Ų7968.9 Ų68.942%0.42234%0.34SS..Hα-helixtrans-67.8-32.5176.9-71.8-17000113.1K12 I14 R20K12-N16 WeakPolarHBondContact O-CB 3.48Å; K12-N16 PolarHBondContact O-N 2.85Å; K12-N16 PolarHBondContact O-ND2 2.92Å; I14-N16 VanDerWaalsContact C-N 3.3Å; I14-N16 PolarHBondContact O-N 3.15Å; N16-R20 WeakPolarHBondContact O-CB 3.28Å; N16-R20 VanDerWaalsContact O-CG 3.26Å; N16-R20 WeakPolarHBondContact O-CG 3.27Å; N16-R20 PolarHBondContact O-N 3.37Å
17A95.5Very high95Very high7 Ų766.8 Ų66.86%0.05833%0.327CS..Hα-helixtrans-77.2-41179.400000112.2S13 I14 N15 R20 G21 K22 V25 L65S13-A17 WeakPolarHBondContact O-CB 3.35Å; S13-A17 PolarHBondContact O-N 3.11Å; I14-A17 PolarHBondContact O-N 3.03Å; N15-A17 VanDerWaalsContact C-N 3.33Å; N15-A17 PolarHBondContact O-N 2.74Å; A17-R20 CarbonylContact O-C 3.59Å; A17-R20 PolarHBondContact O-N 3Å; A17-R20 VanDerWaalsContact O-N 3.13Å; A17-G21 PolarHBondContact O-N 3.47Å; A17-G21 VanDerWaalsContact O-N 3.14Å; A17-K22 HydrophobicContact CB-CB 4.17Å; A17-K22 HydrophobicContact CB-CD 4.16Å; A17-K22 PolarHBondContact O-N 2.88Å; A17-V25 HydrophobicContact CB-CB 4.4Å; A17-V25 HydrophobicContact CB-CG1 4.37Å; A17-V25 HydrophobicContact CB-CG2 3.23Å; A17-L65 HydrophobicContact CB-CD1 3.9Å
18E94.2Very high94.8Very high20 Ų2072.3 Ų72.39%0.09335%0.348CS..Hα-helixtrans-59.1-48.6172.1-82.9-71.2-174.900111.1I14 R20 G21 L65 G67 L69I14-E18 PolarHBondContact O-N 2.98Å; E18-R20 PolarHBondContact O-N 3.07Å; E18-R20 VanDerWaalsContact O-N 3.12Å; E18-G21 PolarHBondContact O-N 3.41Å; E18-L65 HydrophobicContact CB-CD1 4.44Å; E18-L65 HydrophobicContact CG-CD1 3.64Å; E18-L65 HydrophobicContact CG-CD2 3.89Å; E18-L65 HydrophobicContact CG-CG 4.19Å; E18-L65 WeakPolarHBondContact OE1-CB 3.14Å; E18-L65 WeakPolarHBondContact OE1-CD2 3.45Å; E18-G67 PolarHBondContact OE1-N 2.89Å; E18-G67 VanDerWaalsContact OE2-CA 3.3Å; E18-G67 WeakPolarHBondContact OE2-CA 3.3Å; E18-L69 HydrophobicContact CG-CB 4.07Å; E18-L69 HydrophobicContact CG-CD2 4.11Å
19K94.3Very high94.7Very high153 Ų15371.4 Ų71.467%0.66534%0.339SS*.Hα-helixtrans-59.7-26.2175-75.1178.8176.6-175.60114.2N15N15-K19 WeakPolarHBondContact O-CB 3.38Å; N15-K19 VanDerWaalsContact O-CG 3.29Å; N15-K19 WeakPolarHBondContact O-CG 3.43Å; N15-K19 PolarHBondContact O-N 2.89Å; N15-K19 VanDerWaalsContact OD1-CE 3.26Å; N15-K19 WeakPolarHBondContact OD1-CE 3.14Å
20R95.1Very high94.6Very high198 Ų19869.8 Ų69.875%0.74733%0.332SS*.THydrogen-bonded Turntrans-88.7-1.6175.5-74.9179.1-179.1-119.14.6112.8N16 A17 E18 K22N16-R20 WeakPolarHBondContact O-CB 3.28Å; N16-R20 VanDerWaalsContact O-CG 3.26Å; N16-R20 WeakPolarHBondContact O-CG 3.27Å; N16-R20 PolarHBondContact O-N 3.37Å; A17-R20 CarbonylContact O-C 3.59Å; A17-R20 PolarHBondContact O-N 3Å; A17-R20 VanDerWaalsContact O-N 3.13Å; E18-R20 PolarHBondContact O-N 3.07Å; E18-R20 VanDerWaalsContact O-N 3.12Å; R20-K22 VanDerWaalsContact C-N 3.3Å; R20-K22 HydrophobicContact CB-CG 4.26Å; R20-K22 PolarHBondContact O-N 3.47Å
21G93.1Very high94.5Very high62 Ų6271.1 Ų71.164%0.63934%0.342SS*.THydrogen-bonded Turntrans67.726.1-177.400000113.9A17 E18A17-G21 PolarHBondContact O-N 3.47Å; A17-G21 VanDerWaalsContact O-N 3.14Å; E18-G21 PolarHBondContact O-N 3.41Å
22K95.1Very high94.3Very high117 Ų11779.8 Ų79.851%0.50938%0.379SS..  trans-72.9142.3176.4-67.1-170.8175.8-171.60109.8A17 R20 L65A17-K22 HydrophobicContact CB-CB 4.17Å; A17-K22 HydrophobicContact CB-CD 4.16Å; A17-K22 PolarHBondContact O-N 2.88Å; R20-K22 VanDerWaalsContact C-N 3.3Å; R20-K22 HydrophobicContact CB-CG 4.26Å; R20-K22 PolarHBondContact O-N 3.47Å; K22-L65 VanDerWaalsContact O-CD1 3.29Å; K22-L65 WeakPolarHBondContact O-CD1 3.11Å
23R94.3Very high94.3Very high217 Ų21775.2 Ų75.282%0.81936%0.363SS*.SBendtrans-75.8-24.9176.1-64.5-176.1177.9-177.4-1.3113.7L65R23-L65 PolarHBondContact O-N 3.14Å
24Q95.5Very high94.2Very high114 Ų11472.7 Ų72.753%0.53335%0.345SS..EExtended strand (participates in β ladder)trans-144.3151.8-172.9-65.1-175.8-19.400111.8V63 N64Q24-V63 VanDerWaalsContact CA-O 3.3Å; Q24-V63 WeakPolarHBondContact CA-O 3.39Å; Q24-N64 VanDerWaalsContact CG-OD1 3.27Å; Q24-N64 WeakPolarHBondContact CG-OD1 3.39Å; Q24-N64 PolarHBondContact NE2-OD1 3.23Å
25V96.8Very high94.2Very high11 Ų1174.1 Ų74.17%0.06735%0.354CS..EExtended strand (participates in β ladder)trans-131.3131.4177-170.40000110.2I14 A17 I27 V62 V63 L65I14-V25 HydrophobicContact CG1-CG1 4.45Å; A17-V25 HydrophobicContact CB-CB 4.4Å; A17-V25 HydrophobicContact CB-CG1 4.37Å; A17-V25 HydrophobicContact CB-CG2 3.23Å; V25-I27 HydrophobicContact CG1-CG1 4.17Å; V25-V62 WeakPolarHBondContact O-CA 3.46Å; V25-V63 PolarHBondContact N-O 3.35Å; V25-V63 PolarHBondContact O-N 2.87Å; V25-L65 HydrophobicContact CG2-CD1 3.33Å; V25-L65 HydrophobicContact CG2-CD2 4.11Å; V25-L65 HydrophobicContact CG2-CG 3.8Å
26L95.6Very high94.2Very high104 Ų10480 Ų8055%0.54538%0.375SS..EExtended strand (participates in β ladder)trans-94.3122.1168.2-175.771.2000109.8K60 I61 V62L26-K60 HydrophobicContact CD1-CB 3.93Å; L26-K60 HydrophobicContact CD1-CD 4.19Å; L26-K60 HydrophobicContact CD2-CD 4.48Å; L26-I61 CarbonylContact C-O 3.56Å; L26-I61 WeakPolarHBondContact CA-O 3.26Å; L26-V62 HydrophobicContact CD1-CG2 3.74Å
27I94.9Very high94.2Very high3 Ų376.2 Ų76.22%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-107.9131178.2-58.8170.7000109.2A10 I14 V25 L38 K60 I61 V63A10-I27 HydrophobicContact CB-CD1 4.37Å; A10-I27 HydrophobicContact CB-CG2 3.53Å; I14-I27 HydrophobicContact CD1-CD1 3.68Å; I14-I27 HydrophobicContact CG1-CD1 3.86Å; V25-I27 HydrophobicContact CG1-CG1 4.17Å; I27-L38 HydrophobicContact CD1-CD1 4.26Å; I27-K60 WeakPolarHBondContact O-CA 3.35Å; I27-I61 HydrophobicContact CB-CB 4.27Å; I27-I61 PolarHBondContact N-O 2.82Å; I27-I61 PolarHBondContact O-N 3.07Å; I27-V63 HydrophobicContact CD1-CG2 3.68Å
28R90.8Very high94.2Very high118 Ų11875.9 Ų75.945%0.44535%0.352SS..SBendtrans-142.2125.9174.1-169-179.5-165.6172.49109.5D55 K60R28-D55 IonicContact CZ-OD2 3.39Å; R28-D55 IonicContact NE-OD2 3Å; R28-D55 IonicContact NH2-OD2 2.68Å; R28-D55 PolarHBondContact NH2-OD2 3.26Å; R28-K60 HydrophobicContact CB-CG 4.48Å; R28-K60 HydrophobicContact CG-CG 4.27Å
29P92.1Very high94.3Very high17 Ų1777.8 Ų77.811%0.1137%0.365CS..SBendcis-90.4160.78.535.5-28.8000113R3 V6 I34 A58R3-P29 VanDerWaalsContact NH1-CD 3.32Å; V6-P29 HydrophobicContact CB-CG 4.03Å; V6-P29 HydrophobicContact CG1-CG 3.52Å; P29-I34 WeakPolarHBondContact O-CD1 3.3Å; P29-A58 HydrophobicContact CB-CB 3.83Å
30C90.9Very high94.3Very high30 Ų3071.2 Ų71.220%0.20334%0.337CS..  trans-77.5143.5169.5-177.60000110.5A58 G59 I61C30-A58 WeakPolarHBondContact CA-O 3.31Å; C30-A58 WeakPolarHBondContact CB-O 3.23Å; C30-A58 PolarHBondContact N-O 2.93Å; C30-G59 PolarHBondContact N-O 3.3Å; C30-I61 HydrophobicContact CB-CD1 4.18Å; C30-I61 HydrophobicContact CB-CG1 3.87Å; C30-I61 VanDerWaalsContact SG-CD1 3.59Å; C30-I61 VanDerWaalsContact SG-CG1 3.59Å
31S91.8Very high94.3Very high31 Ų3161.8 Ų61.822%0.21730%0.302CS..  trans-146.5153.5169.773.80000110.7V33 I34 V35S31-V33 PolarHBondContact O-N 3.16Å; S31-V33 VanDerWaalsContact O-N 3.15Å; S31-I34 PolarHBondContact O-N 3.38Å; S31-I34 VanDerWaalsContact OG-CD1 3.31Å; S31-I34 WeakPolarHBondContact OG-CD1 3.33Å; S31-I34 VanDerWaalsContact OG-CG1 3.23Å; S31-I34 WeakPolarHBondContact OG-CG1 3.4Å; S31-I34 PolarHBondContact OG-N 2.89Å; S31-V35 WeakPolarHBondContact O-CG2 3.37Å; S31-V35 PolarHBondContact O-N 2.83Å
32K92.6Very high94.5Very high184 Ų18462.5 Ų62.580%0.829%0.29SS*.Hα-helixtrans-56.7-32.7179.2-63.9-178.1-179.5178.90112.7R36K32-R36 WeakPolarHBondContact O-CG 3.39Å; K32-R36 PolarHBondContact O-N 2.88Å
33V93.8Very high94.4Very high44 Ų4463.6 Ų63.627%0.26729%0.294SS..Hα-helixtrans-69.4-43.6177.2179.70000110.9L7 S31 R36 F37 I110 L126L7-V33 HydrophobicContact CD2-CG1 4.2Å; S31-V33 PolarHBondContact O-N 3.16Å; S31-V33 VanDerWaalsContact O-N 3.15Å; V33-R36 PolarHBondContact O-N 3.16Å; V33-F37 WeakPolarHBondContact O-CB 3.07Å; V33-F37 PolarHBondContact O-N 3.36Å; V33-I110 HydrophobicContact CB-CD1 4.47Å; V33-I110 HydrophobicContact CG1-CD1 4.03Å; V33-L126 HydrophobicContact CG1-CD1 4.26Å; V33-L126 HydrophobicContact CG1-CD2 4.45Å
34I95Very high94.4Very high1 Ų155.6 Ų55.61%0.00527%0.266CS..Hα-helixtrans-61.8-48.2176.3-65.6163.3000109.8V6 L7 A10 P29 S31 R36 F37 L38 I61V6-I34 HydrophobicContact CB-CD1 4.26Å; V6-I34 HydrophobicContact CG2-CD1 4.17Å; L7-I34 HydrophobicContact CB-CG1 4.41Å; L7-I34 HydrophobicContact CD1-CB 4.37Å; L7-I34 HydrophobicContact CD1-CG1 3.73Å; A10-I34 HydrophobicContact CB-CD1 3.92Å; A10-I34 HydrophobicContact CB-CG1 4.16Å; A10-I34 HydrophobicContact CB-CG2 4.21Å; P29-I34 WeakPolarHBondContact O-CD1 3.3Å; S31-I34 PolarHBondContact O-N 3.38Å; S31-I34 VanDerWaalsContact OG-CD1 3.31Å; S31-I34 WeakPolarHBondContact OG-CD1 3.33Å; S31-I34 VanDerWaalsContact OG-CG1 3.23Å; S31-I34 WeakPolarHBondContact OG-CG1 3.4Å; S31-I34 PolarHBondContact OG-N 2.89Å; I34-R36 PolarHBondContact O-N 3.4Å; I34-F37 PolarHBondContact O-N 3.25Å; I34-F37 VanDerWaalsContact O-N 3.16Å; I34-L38 HydrophobicContact CG2-CD1 3.81Å; I34-L38 HydrophobicContact CG2-CG 4.19Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.39Å; I34-L38 PolarHBondContact O-N 3.34Å; I34-I61 HydrophobicContact CB-CD1 4.37Å; I34-I61 HydrophobicContact CG2-CD1 3.67Å
35V95.2Very high94.4Very high30 Ų3051.5 Ų51.518%0.18225%0.254CS..Hα-helixtrans-56.3-51179.3173.90000110.8S31 F37 L38 T39 F50 I52 I61S31-V35 WeakPolarHBondContact O-CG2 3.37Å; S31-V35 PolarHBondContact O-N 2.83Å; V35-F37 VanDerWaalsContact C-N 3.33Å; V35-F37 PolarHBondContact O-N 3.29Å; V35-L38 PolarHBondContact O-N 2.95Å; V35-T39 PolarHBondContact O-N 3.03Å; V35-T39 PolarHBondContact O-OG1 2.9Å; V35-F50 HydrophobicContact CG1-CE2 4.06Å; V35-F50 HydrophobicContact CG1-CZ 4.14Å; V35-I52 HydrophobicContact CG1-CD1 4.02Å; V35-I52 HydrophobicContact CG2-CD1 3.75Å; V35-I52 HydrophobicContact CG2-CG1 4.42Å; V35-I61 HydrophobicContact CG2-CD1 3.89Å
36R95.7Very high94.2Very high139 Ų13951.8 Ų51.853%0.52526%0.255SS..Hα-helixtrans-62.8-37.2178.5-73-177.2178.6-149.5-0.7112.9K32 V33 I34 T39 V40 I110K32-R36 WeakPolarHBondContact O-CG 3.39Å; K32-R36 PolarHBondContact O-N 2.88Å; V33-R36 PolarHBondContact O-N 3.16Å; I34-R36 PolarHBondContact O-N 3.4Å; R36-T39 PolarHBondContact O-N 2.91Å; R36-V40 WeakPolarHBondContact O-CG2 3.45Å; R36-V40 PolarHBondContact O-N 3.16Å; R36-V40 VanDerWaalsContact O-N 3.14Å; R36-I110 HydrophobicContact CB-CB 4.24Å; R36-I110 HydrophobicContact CB-CD1 3.89Å
37F95.8Very high94.2Very high1 Ų147.1 Ų47.10%0.00423%0.23CC..Hα-helixtrans-64.8-44.8176.1-164.1-73.8000111L7 L11 V33 I34 V35 T39 V40 M41 V103 L126 F129L7-F37 HydrophobicContact CD1-CB 4.18Å; L7-F37 HydrophobicContact CD1-CD2 4.37Å; L7-F37 HydrophobicContact CD1-CG 4.25Å; L7-F37 HydrophobicContact CD2-CD2 4.27Å; L11-F37 HydrophobicContact CD1-CD1 4.41Å; L11-F37 HydrophobicContact CD1-CE1 3.78Å; L11-F37 HydrophobicContact CD1-CE2 4.29Å; L11-F37 HydrophobicContact CD1-CZ 3.71Å; L11-F37 HydrophobicContact CD2-CD1 3.98Å; L11-F37 HydrophobicContact CD2-CE1 3.85Å; L11-F37 HydrophobicContact CG-CE1 4.49Å; V33-F37 WeakPolarHBondContact O-CB 3.07Å; V33-F37 PolarHBondContact O-N 3.36Å; I34-F37 PolarHBondContact O-N 3.25Å; I34-F37 VanDerWaalsContact O-N 3.16Å; V35-F37 VanDerWaalsContact C-N 3.33Å; V35-F37 PolarHBondContact O-N 3.29Å; F37-T39 VanDerWaalsContact C-N 3.32Å; F37-T39 PolarHBondContact O-N 3.06Å; F37-V40 PolarHBondContact O-N 3.32Å; F37-M41 HydrophobicContact CD1-CG 3.98Å; F37-M41 HydrophobicContact CD1-SD 3.68Å; F37-M41 HydrophobicContact CE1-CG 3.92Å; F37-M41 HydrophobicContact CE1-SD 3.59Å; F37-M41 VanDerWaalsContact CE1-SD 3.59Å; F37-M41 PolarHBondContact O-N 3.44Å; F37-V103 HydrophobicContact CD2-CB 4.01Å; F37-V103 HydrophobicContact CD2-CG1 3.77Å; F37-V103 HydrophobicContact CD2-CG2 4.16Å; F37-V103 HydrophobicContact CE1-CG2 4.32Å; F37-V103 HydrophobicContact CE2-CB 3.53Å; F37-V103 HydrophobicContact CE2-CG1 3.84Å; F37-V103 HydrophobicContact CE2-CG2 3.61Å; F37-V103 HydrophobicContact CZ-CB 4.11Å; F37-V103 HydrophobicContact CZ-CG2 3.7Å; F37-L126 HydrophobicContact CD2-CB 4.44Å; F37-L126 HydrophobicContact CD2-CD1 4.47Å; F37-L126 HydrophobicContact CE2-CB 4.29Å; F37-F129 AromaticContact CE1-CD1 3.99Å; F37-F129 HydrophobicContact CE1-CD1 3.99Å; F37-F129 HydrophobicContact CZ-CD1 4.16Å
38L95.7Very high94.2Very high0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-63.4-38.1175.3-66.1175000111.5I14 I27 I34 V35 V40 M41 M42 I47 F50 I61 V63I14-L38 HydrophobicContact CD1-CD2 3.69Å; I27-L38 HydrophobicContact CD1-CD1 4.26Å; I34-L38 HydrophobicContact CG2-CD1 3.81Å; I34-L38 HydrophobicContact CG2-CG 4.19Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.39Å; I34-L38 PolarHBondContact O-N 3.34Å; V35-L38 PolarHBondContact O-N 2.95Å; L38-V40 VanDerWaalsContact C-N 3.29Å; L38-V40 PolarHBondContact O-N 2.96Å; L38-M41 HydrophobicContact CD2-SD 4.18Å; L38-M41 PolarHBondContact O-N 3.17Å; L38-M41 VanDerWaalsContact O-N 3.16Å; L38-M42 WeakPolarHBondContact O-CB 3.37Å; L38-M42 PolarHBondContact O-N 3.41Å; L38-I47 HydrophobicContact CB-CD1 3.93Å; L38-I47 HydrophobicContact CD2-CD1 3.78Å; L38-I47 HydrophobicContact CG-CD1 4.43Å; L38-I47 WeakPolarHBondContact O-CD1 3.21Å; L38-F50 HydrophobicContact CB-CD1 4.12Å; L38-F50 HydrophobicContact CB-CE1 3.98Å; L38-F50 HydrophobicContact CB-CZ 4.32Å; L38-I61 HydrophobicContact CD1-CD1 4.07Å; L38-I61 HydrophobicContact CD1-CG2 3.98Å; L38-V63 HydrophobicContact CD1-CG2 3.78Å; L38-V63 HydrophobicContact CD2-CG2 4.33Å
39T95.8Very high94.4Very high60 Ų6049.2 Ų49.237%0.36825%0.25SC..Hα-helixtrans-58.6-41.1173.5-48.30000111.9V35 R36 F37 M42 K43V35-T39 PolarHBondContact O-N 3.03Å; V35-T39 PolarHBondContact O-OG1 2.9Å; R36-T39 PolarHBondContact O-N 2.91Å; F37-T39 VanDerWaalsContact C-N 3.32Å; F37-T39 PolarHBondContact O-N 3.06Å; T39-M42 PolarHBondContact O-N 3.32Å; T39-K43 WeakPolarHBondContact O-CB 3.35Å; T39-K43 PolarHBondContact O-N 3.42Å
40V95.7Very high94.6Very high14 Ų1450.1 Ų50.19%0.08525%0.252CS..Hα-helixtrans-65.6-43.1175.6176.90000110.9R36 F37 L38 M42 K43 H44 V103 D112 F129R36-V40 WeakPolarHBondContact O-CG2 3.45Å; R36-V40 PolarHBondContact O-N 3.16Å; R36-V40 VanDerWaalsContact O-N 3.14Å; F37-V40 PolarHBondContact O-N 3.32Å; L38-V40 VanDerWaalsContact C-N 3.29Å; L38-V40 PolarHBondContact O-N 2.96Å; V40-M42 VanDerWaalsContact C-N 3.32Å; V40-M42 PolarHBondContact O-N 3.13Å; V40-K43 PolarHBondContact O-N 3.27Å; V40-H44 PolarHBondContact O-CD2 2.97Å; V40-H44 VanDerWaalsContact O-CD2 3.25Å; V40-H44 PolarHBondContact O-N 3.11Å; V40-V103 HydrophobicContact CG1-CG2 4.26Å; V40-D112 HydrophobicContact CG1-CB 4.28Å; V40-F129 HydrophobicContact CG1-CE1 4Å; V40-F129 HydrophobicContact CG1-CZ 4.05Å
41M95.5Very high94.8Very high0 Ų054.7 Ų54.70%027%0.271CS..Hα-helixtrans-62.2-39176.1-67.5179.174.300112.5L11 F37 L38 H44 G45 Y46 I47 L69 C72 F129L11-M41 HydrophobicContact CD2-SD 4.34Å; F37-M41 HydrophobicContact CD1-CG 3.98Å; F37-M41 HydrophobicContact CD1-SD 3.68Å; F37-M41 HydrophobicContact CE1-CG 3.92Å; F37-M41 HydrophobicContact CE1-SD 3.59Å; F37-M41 VanDerWaalsContact CE1-SD 3.59Å; F37-M41 PolarHBondContact O-N 3.44Å; L38-M41 HydrophobicContact CD2-SD 4.18Å; L38-M41 PolarHBondContact O-N 3.17Å; L38-M41 VanDerWaalsContact O-N 3.16Å; M41-H44 PolarHBondContact O-N 2.95Å; M41-G45 PolarHBondContact O-N 3.12Å; M41-Y46 PolarHBondContact O-N 2.85Å; M41-I47 HydrophobicContact CB-CD1 3.91Å; M41-I47 HydrophobicContact CB-CG1 3.88Å; M41-I47 HydrophobicContact CB-CG2 4.48Å; M41-I47 HydrophobicContact CE-CG2 3.94Å; M41-L69 HydrophobicContact CE-CD1 3.72Å; M41-L69 HydrophobicContact CE-CD2 3.8Å; M41-L69 HydrophobicContact CE-CG 4.43Å; M41-C72 HydrophobicContact CE-CB 4.16Å; M41-F129 HydrophobicContact CE-CB 4.09Å; M41-F129 HydrophobicContact CE-CG 4.35Å; M41-F129 HydrophobicContact CG-CD1 3.67Å; M41-F129 HydrophobicContact CG-CD2 4.23Å; M41-F129 HydrophobicContact CG-CE1 3.79Å; M41-F129 HydrophobicContact CG-CE2 4.35Å; M41-F129 HydrophobicContact CG-CG 3.89Å; M41-F129 HydrophobicContact CG-CZ 4.14Å
42M95.3Very high95Very high78 Ų7857.9 Ų57.938%0.38428%0.284SS..Hα-helixtrans-68.6-42.8177.9-172.2-17676.400111.3L38 T39 V40 H44 G45 I47 F50L38-M42 WeakPolarHBondContact O-CB 3.37Å; L38-M42 PolarHBondContact O-N 3.41Å; T39-M42 PolarHBondContact O-N 3.32Å; V40-M42 VanDerWaalsContact C-N 3.32Å; V40-M42 PolarHBondContact O-N 3.13Å; M42-H44 PolarHBondContact O-N 3.43Å; M42-G45 PolarHBondContact O-N 3.14Å; M42-I47 HydrophobicContact CB-CD1 4.29Å; M42-I47 HydrophobicContact CB-CG1 3.93Å; M42-F50 HydrophobicContact SD-CD1 4.18Å; M42-F50 HydrophobicContact SD-CE1 4.14Å
43K94.9Very high95Very high140 Ų14052.7 Ų52.761%0.60926%0.264SS*.Hα-helixtrans-57-36.2175.7-176.7-176.7175.6-170.80112.2T39 V40 E115T39-K43 WeakPolarHBondContact O-CB 3.35Å; T39-K43 PolarHBondContact O-N 3.42Å; V40-K43 PolarHBondContact O-N 3.27Å; K43-E115 IonicContact NZ-OE2 2.86Å; K43-E115 PolarHBondContact NZ-OE2 3Å; K43-E115 VanDerWaalsContact NZ-OE2 3.08Å
44H94.1Very high94.8Very high48 Ų4856.2 Ų56.222%0.22228%0.281CS..THydrogen-bonded Turntrans-89.21.6176.5-71.3-68.1000113.8V40 M41 M42 Y46 Y101 D112 F129V40-H44 PolarHBondContact O-CD2 2.97Å; V40-H44 VanDerWaalsContact O-CD2 3.25Å; V40-H44 PolarHBondContact O-N 3.11Å; M41-H44 PolarHBondContact O-N 2.95Å; M42-H44 PolarHBondContact O-N 3.43Å; H44-Y46 HydrophobicContact CB-CD2 3.84Å; H44-Y46 HydrophobicContact CB-CE2 3.99Å; H44-Y101 HydrophobicContact CB-CD2 4.23Å; H44-Y101 HydrophobicContact CB-CE2 3.97Å; H44-Y101 AromaticContact CE1-CD1 3.78Å; H44-Y101 AromaticContact CE1-CE1 3.34Å; H44-Y101 WeakPolarHBondContact CE1-CE1 3.31Å; H44-Y101 AromaticContact CE1-CZ 3.51Å; H44-Y101 AromaticContact CG-CD2 3.97Å; H44-Y101 AromaticContact CG-CE2 3.73Å; H44-Y101 AromaticContact CG-CZ 3.91Å; H44-Y101 AromaticContact ND1-CE1 3.65Å; H44-Y101 AromaticContact ND1-CE2 3.58Å; H44-Y101 AromaticContact ND1-CZ 3.27Å; H44-Y101 VanDerWaalsContact ND1-CZ 3.27Å; H44-Y101 PolarHBondContact ND1-OH 3.06Å; H44-Y101 AromaticContact NE2-CD1 3.84Å; H44-Y101 AromaticContact NE2-CE1 3.89Å; H44-D112 IonicContact NE2-OD1 2.91Å; H44-F129 HydrophobicContact CB-CE2 4.13Å; H44-F129 HydrophobicContact CB-CZ 4.34Å; H44-F129 AromaticContact CD2-CZ 3.91Å
45G93.7Very high94.6Very high28 Ų2857.9 Ų57.929%0.28929%0.291SS..THydrogen-bonded Turntrans75.719.3172.500000116.3M41 M42M41-G45 PolarHBondContact O-N 3.12Å; M42-G45 PolarHBondContact O-N 3.14Å
46Y94.3Very high94.4Very high18 Ų1865 Ų657%0.07132%0.321CS..SBendtrans-82.9-26.3177.4-75.9-94.5000113.4M41 H44 T66 L69 F99 Y101 F129M41-Y46 PolarHBondContact O-N 2.85Å; H44-Y46 HydrophobicContact CB-CD2 3.84Å; H44-Y46 HydrophobicContact CB-CE2 3.99Å; Y46-T66 PolarHBondContact O-OG1 3.41Å; Y46-L69 HydrophobicContact CD1-CD1 3.94Å; Y46-L69 HydrophobicContact CG-CD1 4.44Å; Y46-F99 HydrophobicContact CE1-CE2 4.1Å; Y46-F99 AromaticContact CE1-CZ 3.96Å; Y46-F99 HydrophobicContact CE1-CZ 3.96Å; Y46-F99 WeakPolarHBondContact OH-CE2 3.38Å; Y46-Y101 AromaticContact CE2-CD2 3.82Å; Y46-Y101 HydrophobicContact CE2-CD2 3.82Å; Y46-Y101 AromaticContact CE2-CE2 3.78Å; Y46-Y101 HydrophobicContact CE2-CE2 3.78Å; Y46-F129 HydrophobicContact CD1-CD2 4.25Å; Y46-F129 AromaticContact CD2-CD2 3.64Å; Y46-F129 HydrophobicContact CD2-CD2 3.64Å; Y46-F129 AromaticContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CE1-CD2 4.43Å; Y46-F129 AromaticContact CE2-CD2 3.85Å; Y46-F129 HydrophobicContact CE2-CD2 3.85Å; Y46-F129 AromaticContact CE2-CE2 3.58Å; Y46-F129 HydrophobicContact CE2-CE2 3.58Å; Y46-F129 AromaticContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CE2 4.05Å
47I95.4Very high94Very high6 Ų668.5 Ų68.53%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-125.7157.8173.963172.5000109L38 M41 M42 F50 V63 L65L38-I47 HydrophobicContact CB-CD1 3.93Å; L38-I47 HydrophobicContact CD2-CD1 3.78Å; L38-I47 HydrophobicContact CG-CD1 4.43Å; L38-I47 WeakPolarHBondContact O-CD1 3.21Å; M41-I47 HydrophobicContact CB-CD1 3.91Å; M41-I47 HydrophobicContact CB-CG1 3.88Å; M41-I47 HydrophobicContact CB-CG2 4.48Å; M41-I47 HydrophobicContact CE-CG2 3.94Å; M42-I47 HydrophobicContact CB-CD1 4.29Å; M42-I47 HydrophobicContact CB-CG1 3.93Å; I47-F50 HydrophobicContact CD1-CD1 4.48Å; I47-V63 HydrophobicContact CB-CG1 4.14Å; I47-V63 HydrophobicContact CD1-CG1 4.01Å; I47-V63 HydrophobicContact CG2-CG1 4.28Å; I47-L65 HydrophobicContact CG2-CD2 4.49Å
48G95Very high93.4Very high19 Ų1970.7 Ų70.720%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-81.4-157.2170.700000111.5N64G48-N64 PolarHBondContact N-O 3.04Å
49E94.6Very high93.2Very high145 Ų14571 Ų7168%0.67836%0.357SS*.EExtended strand (participates in β ladder)trans-63.9150.2174.2-63.1180171.100111.3N64E49-N64 VanDerWaalsContact O-CB 3.28Å; E49-N64 WeakPolarHBondContact O-CB 3.33Å; E49-N64 PolarHBondContact O-N 3.47Å; E49-N64 PolarHBondContact O-ND2 3.18Å
50F95.9Very high93.1Very high37 Ų3771 Ų7116%0.16235%0.351CS..EExtended strand (participates in β ladder)trans-131.8145172.968.7-91.5000110.3V35 L38 M42 I47 I52 I61 V62 V63V35-F50 HydrophobicContact CG1-CE2 4.06Å; V35-F50 HydrophobicContact CG1-CZ 4.14Å; L38-F50 HydrophobicContact CB-CD1 4.12Å; L38-F50 HydrophobicContact CB-CE1 3.98Å; L38-F50 HydrophobicContact CB-CZ 4.32Å; M42-F50 HydrophobicContact SD-CD1 4.18Å; M42-F50 HydrophobicContact SD-CE1 4.14Å; I47-F50 HydrophobicContact CD1-CD1 4.48Å; F50-I52 HydrophobicContact CD2-CG1 4.34Å; F50-I52 HydrophobicContact CE2-CD1 4.3Å; F50-I52 HydrophobicContact CE2-CG1 4.19Å; F50-I61 HydrophobicContact CB-CG2 4.11Å; F50-I61 HydrophobicContact CD2-CG2 3.77Å; F50-I61 HydrophobicContact CG-CG2 4.31Å; F50-V62 CarbonylContact C-O 3.59Å; F50-V62 WeakPolarHBondContact CA-O 3.48Å; F50-V62 WeakPolarHBondContact CB-O 3.42Å; F50-V63 HydrophobicContact CB-CB 4.35Å; F50-V63 HydrophobicContact CB-CG1 4.45Å; F50-V63 HydrophobicContact CB-CG2 3.99Å
51E95.3Very high93.1Very high126 Ų12670.3 Ų70.359%0.58935%0.347SS*.EExtended strand (participates in β ladder)trans-114.6138.6-179.3-68.3179.6-177.600110.1I61 V62E51-I61 CarbonylContact O-C 3.58Å; E51-I61 VanDerWaalsContact O-CA 3.3Å; E51-I61 WeakPolarHBondContact O-CA 3.46Å; E51-V62 PolarHBondContact N-O 3.01Å; E51-V62 PolarHBondContact O-N 3.27Å
52I95Very high93.1Very high97 Ų9771.7 Ų71.750%0.49736%0.355SS..EExtended strand (participates in β ladder)trans-100.6119175.4-54.8172.5000107.5V35 F50V35-I52 HydrophobicContact CG1-CD1 4.02Å; V35-I52 HydrophobicContact CG2-CD1 3.75Å; V35-I52 HydrophobicContact CG2-CG1 4.42Å; F50-I52 HydrophobicContact CD2-CG1 4.34Å; F50-I52 HydrophobicContact CE2-CD1 4.3Å; F50-I52 HydrophobicContact CE2-CG1 4.19Å
53I93.6Very high93.2Very high76 Ų7668 Ų6839%0.3934%0.337SS..EExtended strand (participates in β ladder)trans-100.5121.8177.3-56.5172.5000108.1G59 K60 V62I53-G59 CarbonylContact O-C 3.5Å; I53-G59 WeakPolarHBondContact O-CA 3.2Å; I53-K60 HydrophobicContact CB-CB 4.4Å; I53-K60 PolarHBondContact N-O 3.3Å; I53-K60 PolarHBondContact O-N 3.43Å; I53-V62 HydrophobicContact CD1-CG2 3.62Å
54D90.1Very high93.2Very high117 Ų11763.5 Ų63.563%0.62632%0.32SS*.  trans-84.4115.7174.9-166.2-4.8000110.8H56D54-H56 WeakPolarHBondContact OD1-CA 3.34Å; D54-H56 PolarHBondContact OD1-N 3.47Å
55D90.1Very high93.3Very high37 Ų3762.1 Ų62.120%0.19831%0.314CS..  trans-100.213.6175.173.2-16.2000112.8R28 R57 A58 G59R28-D55 IonicContact CZ-OD2 3.39Å; R28-D55 IonicContact NE-OD2 3Å; R28-D55 IonicContact NH2-OD2 2.68Å; R28-D55 PolarHBondContact NH2-OD2 3.26Å; D55-R57 PolarHBondContact O-N 3.22Å; D55-R57 WeakPolarHBondContact OD1-CA 3.29Å; D55-R57 WeakPolarHBondContact OD1-CB 3.48Å; D55-R57 PolarHBondContact OD1-N 3.37Å; D55-A58 PolarHBondContact OD1-N 2.91Å; D55-G59 WeakPolarHBondContact OD1-CA 3.37Å; D55-G59 PolarHBondContact OD1-N 3.33Å
56H90Very high93.2Very high178 Ų17864.3 Ų64.382%0.82432%0.322SS*.SBendtrans54.218.3-170.9-6761000113.2D54D54-H56 WeakPolarHBondContact OD1-CA 3.34Å; D54-H56 PolarHBondContact OD1-N 3.47Å
57R87.7Confident93.1Very high213 Ų21366.2 Ų66.280%0.80435%0.348SS*.SBendtrans-123.2-94.5177-61178.7-178.8-170.11.6110.4D55D55-R57 PolarHBondContact O-N 3.22Å; D55-R57 WeakPolarHBondContact OD1-CA 3.29Å; D55-R57 WeakPolarHBondContact OD1-CB 3.48Å; D55-R57 PolarHBondContact OD1-N 3.37Å
58A83.2Confident93Very high47 Ų4774.3 Ų74.339%0.38838%0.377SS..SBendtrans-1206.1-175.200000112.1P29 C30 D55P29-A58 HydrophobicContact CB-CB 3.83Å; C30-A58 WeakPolarHBondContact CA-O 3.31Å; C30-A58 WeakPolarHBondContact CB-O 3.23Å; C30-A58 PolarHBondContact N-O 2.93Å; D55-A58 PolarHBondContact OD1-N 2.91Å
59G91.1Very high93Very high8 Ų873.9 Ų73.98%0.08237%0.371CS..  trans65.4167.3-176.500000113.5C30 I53 D55C30-G59 PolarHBondContact N-O 3.3Å; I53-G59 CarbonylContact O-C 3.5Å; I53-G59 WeakPolarHBondContact O-CA 3.2Å; D55-G59 WeakPolarHBondContact OD1-CA 3.37Å; D55-G59 PolarHBondContact OD1-N 3.33Å
60K94.8Very high92.9Very high59 Ų5971.7 Ų71.726%0.25736%0.364SS..EExtended strand (participates in β ladder)trans-132.9155.7169.6-58.1175-170.21670108.6L26 I27 R28 I53L26-K60 HydrophobicContact CD1-CB 3.93Å; L26-K60 HydrophobicContact CD1-CD 4.19Å; L26-K60 HydrophobicContact CD2-CD 4.48Å; I27-K60 WeakPolarHBondContact O-CA 3.35Å; R28-K60 HydrophobicContact CB-CG 4.48Å; R28-K60 HydrophobicContact CG-CG 4.27Å; I53-K60 HydrophobicContact CB-CB 4.4Å; I53-K60 PolarHBondContact N-O 3.3Å; I53-K60 PolarHBondContact O-N 3.43Å
61I95.8Very high92.8Very high0 Ų074.6 Ų74.60%038%0.376CS..EExtended strand (participates in β ladder)trans-123.5128.2174.8-49.4174.3000108L26 I27 C30 I34 V35 L38 F50 E51 V63L26-I61 CarbonylContact C-O 3.56Å; L26-I61 WeakPolarHBondContact CA-O 3.26Å; I27-I61 HydrophobicContact CB-CB 4.27Å; I27-I61 PolarHBondContact N-O 2.82Å; I27-I61 PolarHBondContact O-N 3.07Å; C30-I61 HydrophobicContact CB-CD1 4.18Å; C30-I61 HydrophobicContact CB-CG1 3.87Å; C30-I61 VanDerWaalsContact SG-CD1 3.59Å; C30-I61 VanDerWaalsContact SG-CG1 3.59Å; I34-I61 HydrophobicContact CB-CD1 4.37Å; I34-I61 HydrophobicContact CG2-CD1 3.67Å; V35-I61 HydrophobicContact CG2-CD1 3.89Å; L38-I61 HydrophobicContact CD1-CD1 4.07Å; L38-I61 HydrophobicContact CD1-CG2 3.98Å; F50-I61 HydrophobicContact CB-CG2 4.11Å; F50-I61 HydrophobicContact CD2-CG2 3.77Å; F50-I61 HydrophobicContact CG-CG2 4.31Å; E51-I61 CarbonylContact O-C 3.58Å; E51-I61 VanDerWaalsContact O-CA 3.3Å; E51-I61 WeakPolarHBondContact O-CA 3.46Å; I61-V63 HydrophobicContact CG2-CG2 3.88Å
62V96.1Very high92.9Very high28 Ų2868.8 Ų68.817%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-100119.7168.4-179.90000107.5V25 L26 F50 E51 I53V25-V62 WeakPolarHBondContact O-CA 3.46Å; L26-V62 HydrophobicContact CD1-CG2 3.74Å; F50-V62 CarbonylContact C-O 3.59Å; F50-V62 WeakPolarHBondContact CA-O 3.48Å; F50-V62 WeakPolarHBondContact CB-O 3.42Å; E51-V62 PolarHBondContact N-O 3.01Å; E51-V62 PolarHBondContact O-N 3.27Å; I53-V62 HydrophobicContact CD1-CG2 3.62Å
63V96.4Very high92.9Very high0 Ų064.8 Ų64.80%033%0.333CS..EExtended strand (participates in β ladder)trans-109.3126.5179.7-176.90000109.1Q24 V25 I27 L38 I47 F50 I61 L65Q24-V63 VanDerWaalsContact CA-O 3.3Å; Q24-V63 WeakPolarHBondContact CA-O 3.39Å; V25-V63 PolarHBondContact N-O 3.35Å; V25-V63 PolarHBondContact O-N 2.87Å; I27-V63 HydrophobicContact CD1-CG2 3.68Å; L38-V63 HydrophobicContact CD1-CG2 3.78Å; L38-V63 HydrophobicContact CD2-CG2 4.33Å; I47-V63 HydrophobicContact CB-CG1 4.14Å; I47-V63 HydrophobicContact CD1-CG1 4.01Å; I47-V63 HydrophobicContact CG2-CG1 4.28Å; F50-V63 HydrophobicContact CB-CB 4.35Å; F50-V63 HydrophobicContact CB-CG1 4.45Å; F50-V63 HydrophobicContact CB-CG2 3.99Å; I61-V63 HydrophobicContact CG2-CG2 3.88Å; V63-L65 HydrophobicContact CG1-CD2 4.24Å
64N95.9Very high93Very high46 Ų4662.7 Ų62.725%0.24632%0.323CS..EExtended strand (participates in β ladder)trans-81.9125.4170.4-64.8-42.4000110Q24 G48 E49Q24-N64 VanDerWaalsContact CG-OD1 3.27Å; Q24-N64 WeakPolarHBondContact CG-OD1 3.39Å; Q24-N64 PolarHBondContact NE2-OD1 3.23Å; G48-N64 PolarHBondContact N-O 3.04Å; E49-N64 VanDerWaalsContact O-CB 3.28Å; E49-N64 WeakPolarHBondContact O-CB 3.33Å; E49-N64 PolarHBondContact O-N 3.47Å; E49-N64 PolarHBondContact O-ND2 3.18Å
65L95Very high93.2Very high20 Ų2058 Ų5811%0.10530%0.298CS..EExtended strand (participates in β ladder)trans-96.2137.6-179.1-66.5-175.2000110.2I14 A17 E18 K22 R23 V25 I47 V63I14-L65 HydrophobicContact CG2-CD2 4.08Å; A17-L65 HydrophobicContact CB-CD1 3.9Å; E18-L65 HydrophobicContact CB-CD1 4.44Å; E18-L65 HydrophobicContact CG-CD1 3.64Å; E18-L65 HydrophobicContact CG-CD2 3.89Å; E18-L65 HydrophobicContact CG-CG 4.19Å; E18-L65 WeakPolarHBondContact OE1-CB 3.14Å; E18-L65 WeakPolarHBondContact OE1-CD2 3.45Å; K22-L65 VanDerWaalsContact O-CD1 3.29Å; K22-L65 WeakPolarHBondContact O-CD1 3.11Å; R23-L65 PolarHBondContact O-N 3.14Å; V25-L65 HydrophobicContact CG2-CD1 3.33Å; V25-L65 HydrophobicContact CG2-CD2 4.11Å; V25-L65 HydrophobicContact CG2-CG 3.8Å; I47-L65 HydrophobicContact CG2-CD2 4.49Å; V63-L65 HydrophobicContact CG1-CD2 4.24Å
66T92.7Very high93.2Very high73 Ų7360.8 Ų60.845%0.44832%0.32SS..  trans-104.6-7.9-178.658.70000112.8Y46 R68Y46-T66 PolarHBondContact O-OG1 3.41Å; T66-R68 VanDerWaalsContact C-N 3.32Å
67G91.9Very high93.3Very high59 Ų5956.1 Ų56.161%0.60831%0.306SS*.SBendtrans82.16.2-177.200000114.5E18E18-G67 PolarHBondContact OE1-N 2.89Å; E18-G67 VanDerWaalsContact OE2-CA 3.3Å; E18-G67 WeakPolarHBondContact OE2-CA 3.3Å
68R92.6Very high93.6Very high175 Ų17551.1 Ų51.166%0.6629%0.287SS*.  trans-89.3-14.7-179.1-69.8-174173-172.9-2.2114.1T66T66-R68 VanDerWaalsContact C-N 3.32Å
69L94.4Very high94.1Very high10 Ų1053.2 Ų53.25%0.05229%0.287CS..  trans-85.1118.5-174.1-176.570.9000111.1I14 E18 M41 Y46 C72 F129 F130I14-L69 HydrophobicContact CG2-CD2 3.54Å; E18-L69 HydrophobicContact CG-CB 4.07Å; E18-L69 HydrophobicContact CG-CD2 4.11Å; M41-L69 HydrophobicContact CE-CD1 3.72Å; M41-L69 HydrophobicContact CE-CD2 3.8Å; M41-L69 HydrophobicContact CE-CG 4.43Å; Y46-L69 HydrophobicContact CD1-CD1 3.94Å; Y46-L69 HydrophobicContact CG-CD1 4.44Å; L69-C72 HydrophobicContact CD1-CB 4.25Å; L69-C72 HydrophobicContact CD2-CB 4.09Å; L69-F129 HydrophobicContact CD1-CB 4.08Å; L69-F130 WeakPolarHBondContact CD1-O 3.4Å
70N93.2Very high94.3Very high99 Ų9958.1 Ų58.153%0.52931%0.312SS..SBendtrans-83.8-46.7176.3-62.6-58000111.6F99 F130N70-F99 WeakPolarHBondContact ND2-CE1 3.48Å; N70-F99 WeakPolarHBondContact ND2-CZ 3.21Å; N70-F130 CarbonylContact C-O 3.54Å; N70-F130 WeakPolarHBondContact CA-O 3.4Å; N70-F130 HydrophobicContact CB-CD2 4.15Å; N70-F130 WeakPolarHBondContact CB-O 3.32Å; N70-F130 WeakPolarHBondContact CB-OXT 3.36Å; N70-F130 PolarHBondContact N-O 3.43Å; N70-F130 PolarHBondContact N-OXT 2.91Å; N70-F130 PolarHBondContact ND2-OXT 3.38Å
71K94.9Very high94.1Very high98 Ų9855.6 Ų55.643%0.42630%0.301SS..  trans-157.2126-177.9-167.7175.3-177.6-178.30110.8F128 F129 F130K71-F128 HydrophobicContact CD-CE2 4.21Å; K71-F128 HydrophobicContact CG-CE2 4.25Å; K71-F129 WeakPolarHBondContact O-CA 3.36Å; K71-F130 CarbonylContact C-O 3.56Å; K71-F130 HydrophobicContact CB-CD2 4.23Å; K71-F130 HydrophobicContact CB-CE2 3.72Å; K71-F130 HydrophobicContact CB-CZ 3.9Å; K71-F130 HydrophobicContact CD-CE2 4.42Å; K71-F130 HydrophobicContact CD-CZ 3.94Å; K71-F130 HydrophobicContact CG-CZ 4.4Å; K71-F130 PolarHBondContact N-O 2.86Å; K71-F130 PolarHBondContact O-N 3.36Å; K71-F130 VanDerWaalsContact O-O 3.05Å
72C95.8Very high94Very high4 Ų460.8 Ų60.83%0.02733%0.325CS..EExtended strand (participates in β ladder)trans-113.7147.6160.7600000110.4L11 N15 M41 L69 F128 F129L11-C72 HydrophobicContact CD2-CB 4.38Å; L11-C72 PolarHBondContact O-SG 3.05Å; N15-C72 PolarHBondContact ND2-O 3.43Å; M41-C72 HydrophobicContact CE-CB 4.16Å; L69-C72 HydrophobicContact CD1-CB 4.25Å; L69-C72 HydrophobicContact CD2-CB 4.09Å; C72-F128 WeakPolarHBondContact CA-O 3.14Å; C72-F129 HydrophobicContact CB-CB 4.05Å
73G95.2Very high93.7Very high14 Ų1461.7 Ų61.714%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-158.2152.1-177.800000113.1G127 F128G73-G127 CarbonylContact O-C 3.48Å; G73-G127 WeakPolarHBondContact O-CA 3.45Å; G73-F128 PolarHBondContact N-O 3.18Å; G73-F128 PolarHBondContact O-N 3.04Å
74V96Very high93.4Very high31 Ų3169 Ų6919%0.18836%0.361CS..EExtended strand (participates in β ladder)trans-97.4143.8172.5175.30000109.1L7 A8 L11 L126L7-V74 HydrophobicContact CB-CG2 4.11Å; L7-V74 HydrophobicContact CD2-CG1 4.48Å; L7-V74 HydrophobicContact CD2-CG2 3.83Å; L7-V74 HydrophobicContact CG-CG2 3.57Å; A8-V74 HydrophobicContact CB-CB 4.16Å; A8-V74 HydrophobicContact CB-CG1 4.46Å; A8-V74 HydrophobicContact CB-CG2 4.15Å; L11-V74 HydrophobicContact CB-CG2 4.38Å; L11-V74 HydrophobicContact CD1-CG2 3.53Å; L11-V74 HydrophobicContact CG-CG2 4.06Å; V74-L126 WeakPolarHBondContact CG1-O 3.31Å
75I94.5Very high93.2Very high18 Ų1869.6 Ų69.69%0.09236%0.364CS..  trans-97.5125.5169.8-63.1-173.9000108.6F79 W89 L93 I125 L126 F128I75-F79 HydrophobicContact CG2-CD2 4.01Å; I75-F79 HydrophobicContact CG2-CE2 4.25Å; I75-W89 HydrophobicContact CD1-CZ3 4.24Å; I75-L93 HydrophobicContact CD1-CD1 3.28Å; I75-L93 HydrophobicContact CD1-CD2 3.6Å; I75-L93 HydrophobicContact CD1-CG 4.07Å; I75-I125 HydrophobicContact CB-CG2 4.13Å; I75-I125 HydrophobicContact CD1-CD1 3.57Å; I75-I125 HydrophobicContact CD1-CG1 3.97Å; I75-I125 HydrophobicContact CG2-CG2 3.82Å; I75-L126 PolarHBondContact N-O 3.36Å; I75-F128 HydrophobicContact CD1-CD1 4.12Å; I75-F128 HydrophobicContact CG1-CD1 4.08Å; I75-F128 HydrophobicContact CG1-CE1 4.31Å
76S89.6Confident93Very high96 Ų9668.7 Ų68.767%0.67136%0.359SS*.SBendtrans-134.3124.9-178.9-171.20000108.8
77P93.2Very high93Very high80 Ų8069 Ų6952%0.51936%0.355SS..SBendcis-71.2166.3-0.130.9-35.2000113.2F79P77-F79 HydrophobicContact CG-CD1 4.49Å; P77-F79 HydrophobicContact CG-CE1 3.81Å; P77-F79 HydrophobicContact CG-CE2 4.03Å; P77-F79 HydrophobicContact CG-CZ 3.56Å; P77-F79 VanDerWaalsContact O-CD2 3.24Å; P77-F79 WeakPolarHBondContact O-CD2 3.26Å; P77-F79 WeakPolarHBondContact O-CE2 3.29Å; P77-F79 PolarHBondContact O-N 3.25Å; P77-F79 VanDerWaalsContact O-N 3.1Å
78R93.4Very high93Very high108 Ų10873 Ų7341%0.40836%0.356SS..  trans-78.493.4176.9-64.9-178.6-176.1170.32.9110I125R78-I125 WeakPolarHBondContact CB-O 3.44Å; R78-I125 WeakPolarHBondContact CG-O 3.41Å
79F94.1Very high93.1Very high92 Ų9267.4 Ų67.440%0.40434%0.335SS..  trans-68.4143.9178.3-62.3-74.8000112.3I75 P77 W89 K124 I125I75-F79 HydrophobicContact CG2-CD2 4.01Å; I75-F79 HydrophobicContact CG2-CE2 4.25Å; P77-F79 HydrophobicContact CG-CD1 4.49Å; P77-F79 HydrophobicContact CG-CE1 3.81Å; P77-F79 HydrophobicContact CG-CE2 4.03Å; P77-F79 HydrophobicContact CG-CZ 3.56Å; P77-F79 VanDerWaalsContact O-CD2 3.24Å; P77-F79 WeakPolarHBondContact O-CD2 3.26Å; P77-F79 WeakPolarHBondContact O-CE2 3.29Å; P77-F79 PolarHBondContact O-N 3.25Å; P77-F79 VanDerWaalsContact O-N 3.1Å; F79-W89 HydrophobicContact CB-CH2 4.48Å; F79-W89 HydrophobicContact CB-CZ2 4.07Å; F79-W89 AromaticContact CD2-CH2 3.58Å; F79-W89 HydrophobicContact CD2-CH2 3.58Å; F79-W89 AromaticContact CD2-CZ2 3.98Å; F79-W89 HydrophobicContact CD2-CZ2 3.98Å; F79-W89 HydrophobicContact CE2-CH2 4.08Å; F79-W89 HydrophobicContact CG-CH2 4.19Å; F79-W89 HydrophobicContact CG-CZ2 4.13Å; F79-K124 CarbonylContact O-C 3.51Å; F79-K124 VanDerWaalsContact O-CA 3.31Å; F79-K124 WeakPolarHBondContact O-CA 3.45Å; F79-I125 HydrophobicContact CB-CG2 4.05Å; F79-I125 HydrophobicContact CD2-CG2 4.43Å; F79-I125 PolarHBondContact O-N 3.28Å
80D93.7Very high93Very high111 Ų11168.3 Ų68.359%0.59434%0.339SS*.EExtended strand (participates in β ladder)trans-71.6135.4167-68.5-61.6000110K124D80-K124 WeakPolarHBondContact OD1-CE 3.47Å; D80-K124 WeakPolarHBondContact OD1-CG 3.33Å; D80-K124 IonicContact OD1-NZ 3.9Å; D80-K124 PolarHBondContact OD1-NZ 3.37Å; D80-K124 IonicContact OD2-NZ 3.64Å; D80-K124 PolarHBondContact OD2-NZ 3.01Å
81L92Very high93Very high6 Ų667.9 Ų67.93%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-132.1113.3-171.5-166.9145.9000109.3L86 W89 L104 G122 G123 I125L81-L86 HydrophobicContact CD1-CD1 4.31Å; L81-L86 HydrophobicContact CD2-CB 3.96Å; L81-L86 HydrophobicContact CD2-CD1 3.47Å; L81-L86 VanDerWaalsContact CD2-CD1 3.47Å; L81-L86 HydrophobicContact CD2-CG 4.31Å; L81-W89 HydrophobicContact CD1-CB 3.95Å; L81-W89 HydrophobicContact CD1-CD2 4.19Å; L81-W89 HydrophobicContact CD1-CG 3.53Å; L81-L104 HydrophobicContact CD1-CD2 4.13Å; L81-L104 HydrophobicContact CD2-CD1 4.28Å; L81-L104 HydrophobicContact CD2-CD2 4.29Å; L81-G122 WeakPolarHBondContact O-CA 3.46Å; L81-G123 WeakPolarHBondContact CA-O 3.49Å; L81-G123 PolarHBondContact N-O 3.47Å; L81-G123 PolarHBondContact O-N 3.21Å; L81-I125 HydrophobicContact CD1-CB 4.46Å; L81-I125 HydrophobicContact CD1-CD1 4.03Å
82Q92.4Very high92.9Very high109 Ų10968.7 Ų68.751%0.50935%0.346SS..  trans-85.9157.6170.2-62.4-172.7-16.500110K84 D85 L86Q82-K84 HydrophobicContact CB-CG 4.1Å; Q82-K84 PolarHBondContact O-N 3.26Å; Q82-D85 PolarHBondContact O-N 3.04Å; Q82-L86 PolarHBondContact O-N 3.21Å
83L89.8Confident92.8Very high47 Ų4770.2 Ų70.225%0.24635%0.353CS..G310 helixtrans-56.9-33.9-179.7-69.4171.8000113.2D85 L86 H120L83-D85 VanDerWaalsContact C-N 3.31Å; L83-D85 PolarHBondContact O-N 2.91Å; L83-L86 WeakPolarHBondContact O-CB 3.42Å; L83-L86 PolarHBondContact O-N 3.21Å; L83-H120 HydrophobicContact CD1-CB 4.37Å
84K91.3Very high92.7Very high153 Ų15370.4 Ų70.467%0.66535%0.351SS*.G310 helixtrans-65-33.4177.573.4-169.3-167.4-163.90112.9Q82 L86Q82-K84 HydrophobicContact CB-CG 4.1Å; Q82-K84 PolarHBondContact O-N 3.26Å; K84-L86 VanDerWaalsContact C-N 3.33Å
85D92Very high92.6Very high59 Ų5972.7 Ų72.732%0.31637%0.367SS..G310 helixtrans-87-10.4-176.7-58.9-50.4000111.7Q82 L83 E87 K88 W89Q82-D85 PolarHBondContact O-N 3.04Å; L83-D85 VanDerWaalsContact C-N 3.31Å; L83-D85 PolarHBondContact O-N 2.91Å; D85-E87 VanDerWaalsContact C-N 3.3Å; D85-E87 PolarHBondContact O-N 2.97Å; D85-K88 WeakPolarHBondContact O-CB 3.45Å; D85-K88 PolarHBondContact O-N 2.96Å; D85-W89 VanDerWaalsContact O-CD1 3.22Å; D85-W89 PolarHBondContact O-N 2.78Å
86L90.9Very high92.5Very high1 Ų174.4 Ų74.41%0.00538%0.38CS..Hα-helixtrans-59.7-39.9-175-173.265.8000112.6L81 Q82 L83 K84 K88 W89 Q90 L104 H113 R117L81-L86 HydrophobicContact CD1-CD1 4.31Å; L81-L86 HydrophobicContact CD2-CB 3.96Å; L81-L86 HydrophobicContact CD2-CD1 3.47Å; L81-L86 VanDerWaalsContact CD2-CD1 3.47Å; L81-L86 HydrophobicContact CD2-CG 4.31Å; Q82-L86 PolarHBondContact O-N 3.21Å; L83-L86 WeakPolarHBondContact O-CB 3.42Å; L83-L86 PolarHBondContact O-N 3.21Å; K84-L86 VanDerWaalsContact C-N 3.33Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.05Å; L86-W89 PolarHBondContact O-N 2.67Å; L86-Q90 WeakPolarHBondContact O-CG 3.24Å; L86-Q90 PolarHBondContact O-N 3.08Å; L86-L104 HydrophobicContact CD1-CD1 4.14Å; L86-H113 HydrophobicContact CD1-CB 3.78Å; L86-H113 HydrophobicContact CD2-CB 4.15Å; L86-H113 HydrophobicContact CG-CB 4.42Å; L86-R117 HydrophobicContact CD2-CB 4.48Å
87E91.1Very high92.5Very high78 Ų7878.1 Ų78.136%0.36438%0.379SS..Hα-helixtrans-65.8-37.1-179.8-177.1158.8-152.300112.2D85 W89 Q90 N91 R97D85-E87 VanDerWaalsContact C-N 3.3Å; D85-E87 PolarHBondContact O-N 2.97Å; E87-W89 VanDerWaalsContact C-N 3.33Å; E87-W89 PolarHBondContact O-N 3.49Å; E87-Q90 PolarHBondContact O-N 2.83Å; E87-N91 VanDerWaalsContact O-CG 3.31Å; E87-N91 PolarHBondContact O-N 2.73Å; E87-N91 PolarHBondContact O-ND2 3.36Å; E87-R97 IonicContact OE1-CZ 3.08Å; E87-R97 IonicContact OE1-NH1 2.86Å; E87-R97 PolarHBondContact OE1-NH1 2.83Å; E87-R97 IonicContact OE1-NH2 3.53Å; E87-R97 PolarHBondContact OE1-NH2 3.48Å
88K93.6Very high92.3Very high145 Ų14583.4 Ų83.463%0.6340%0.397SS*.Hα-helixtrans-61.9-43.5173.7-176.2179.1179.11790111D85 L86 N92D85-K88 WeakPolarHBondContact O-CB 3.45Å; D85-K88 PolarHBondContact O-N 2.96Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.05Å; K88-N92 WeakPolarHBondContact O-CB 3.3Å; K88-N92 PolarHBondContact O-N 2.86Å; K88-N92 PolarHBondContact O-ND2 3.48Å
89W93.4Very high92.2Very high56 Ų5681.9 Ų81.921%0.21239%0.394CS..Hα-helixtrans-68.7-38.1177.9-76102.8000112.9I75 F79 L81 D85 L86 E87 N92 L93 I102 I125I75-W89 HydrophobicContact CD1-CZ3 4.24Å; F79-W89 HydrophobicContact CB-CH2 4.48Å; F79-W89 HydrophobicContact CB-CZ2 4.07Å; F79-W89 AromaticContact CD2-CH2 3.58Å; F79-W89 HydrophobicContact CD2-CH2 3.58Å; F79-W89 AromaticContact CD2-CZ2 3.98Å; F79-W89 HydrophobicContact CD2-CZ2 3.98Å; F79-W89 HydrophobicContact CE2-CH2 4.08Å; F79-W89 HydrophobicContact CG-CH2 4.19Å; F79-W89 HydrophobicContact CG-CZ2 4.13Å; L81-W89 HydrophobicContact CD1-CB 3.95Å; L81-W89 HydrophobicContact CD1-CD2 4.19Å; L81-W89 HydrophobicContact CD1-CG 3.53Å; D85-W89 VanDerWaalsContact O-CD1 3.22Å; D85-W89 PolarHBondContact O-N 2.78Å; L86-W89 PolarHBondContact O-N 2.67Å; E87-W89 VanDerWaalsContact C-N 3.33Å; E87-W89 PolarHBondContact O-N 3.49Å; W89-N92 PolarHBondContact O-N 3.46Å; W89-L93 HydrophobicContact CB-CD1 4.45Å; W89-L93 HydrophobicContact CE3-CD1 3.69Å; W89-L93 HydrophobicContact CE3-CG 4.16Å; W89-L93 HydrophobicContact CZ3-CD1 4.38Å; W89-L93 WeakPolarHBondContact O-CB 3.48Å; W89-L93 WeakPolarHBondContact O-CG 3.36Å; W89-L93 PolarHBondContact O-N 2.85Å; W89-I102 HydrophobicContact CB-CD1 4.16Å; W89-I125 HydrophobicContact CD2-CD1 4.19Å; W89-I125 HydrophobicContact CE3-CD1 4.01Å; W89-I125 HydrophobicContact CZ3-CD1 4.48Å
90Q92.7Very high92.2Very high29 Ų2977.8 Ų77.814%0.13638%0.377CS..Hα-helixtrans-57.6-52.3173.4-75.7171.5-26.400111.3L86 E87 N92 L93 L94 I102 H113L86-Q90 WeakPolarHBondContact O-CG 3.24Å; L86-Q90 PolarHBondContact O-N 3.08Å; E87-Q90 PolarHBondContact O-N 2.83Å; Q90-N92 PolarHBondContact O-N 2.93Å; Q90-L93 PolarHBondContact O-N 3.43Å; Q90-L94 HydrophobicContact CB-CD1 4.33Å; Q90-L94 HydrophobicContact CG-CD1 4.2Å; Q90-L94 VanDerWaalsContact O-CB 3.32Å; Q90-L94 WeakPolarHBondContact O-CB 3.34Å; Q90-L94 PolarHBondContact O-N 2.96Å; Q90-I102 HydrophobicContact CB-CD1 4.47Å; Q90-I102 HydrophobicContact CG-CD1 4Å; Q90-H113 PolarHBondContact NE2-CD2 3.19Å; Q90-H113 PolarHBondContact NE2-NE2 3Å
91N93.3Very high92.3Very high91 Ų9174.6 Ų74.649%0.48736%0.357SS..Hα-helixtrans-63.9-30.2-178.4-66.4-20.9000112.9E87E87-N91 VanDerWaalsContact O-CG 3.31Å; E87-N91 PolarHBondContact O-N 2.73Å; E87-N91 PolarHBondContact O-ND2 3.36Å
92N92.8Very high92.5Very high115 Ų11574.3 Ų74.362%0.61536%0.356SS*.Hα-helixtrans-82.5-31.6-179.1-71.3-15.3000113.7K88 W89 Q90K88-N92 WeakPolarHBondContact O-CB 3.3Å; K88-N92 PolarHBondContact O-N 2.86Å; K88-N92 PolarHBondContact O-ND2 3.48Å; W89-N92 PolarHBondContact O-N 3.46Å; Q90-N92 PolarHBondContact O-N 2.93Å
93L93.4Very high92.7Very high35 Ų3569.1 Ų69.118%0.18333%0.331CS..Hα-helixtrans-105-35.7-170.6-66.1170.8000113.6I75 W89 Q90 I102 I125 F128 F130I75-L93 HydrophobicContact CD1-CD1 3.28Å; I75-L93 HydrophobicContact CD1-CD2 3.6Å; I75-L93 HydrophobicContact CD1-CG 4.07Å; W89-L93 HydrophobicContact CB-CD1 4.45Å; W89-L93 HydrophobicContact CE3-CD1 3.69Å; W89-L93 HydrophobicContact CE3-CG 4.16Å; W89-L93 HydrophobicContact CZ3-CD1 4.38Å; W89-L93 WeakPolarHBondContact O-CB 3.48Å; W89-L93 WeakPolarHBondContact O-CG 3.36Å; W89-L93 PolarHBondContact O-N 2.85Å; Q90-L93 PolarHBondContact O-N 3.43Å; L93-I102 HydrophobicContact CB-CD1 4.39Å; L93-I102 HydrophobicContact CD1-CD1 3.86Å; L93-I102 HydrophobicContact CD1-CG1 4.1Å; L93-I125 HydrophobicContact CD1-CD1 3.77Å; L93-F128 HydrophobicContact CD2-CD1 4.15Å; L93-F128 HydrophobicContact CD2-CE1 4.23Å; L93-F130 WeakPolarHBondContact O-CE1 3.33Å
94L94.3Very high92.9Very high18 Ų1867 Ų679%0.09432%0.32CS..  trans-91.4142.1-174.4-57.4-178.2000110Q90 S96 I102 F130Q90-L94 HydrophobicContact CB-CD1 4.33Å; Q90-L94 HydrophobicContact CG-CD1 4.2Å; Q90-L94 VanDerWaalsContact O-CB 3.32Å; Q90-L94 WeakPolarHBondContact O-CB 3.34Å; Q90-L94 PolarHBondContact O-N 2.96Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.02Å; L94-I102 HydrophobicContact CD1-CD1 4.43Å; L94-I102 HydrophobicContact CD1-CG1 4.31Å; L94-I102 HydrophobicContact CD2-CG1 4.02Å; L94-I102 HydrophobicContact CG-CD1 4.33Å; L94-I102 HydrophobicContact CG-CG1 4.14Å; L94-F130 HydrophobicContact CD2-CD1 4.4Å
95P93.4Very high93.1Very high80 Ų8062 Ų6252%0.51930%0.303SS..SBendtrans-69.7-26.6179.529.6-37000112.5F99 F130P95-F99 HydrophobicContact CG-CD1 3.71Å; P95-F99 HydrophobicContact CG-CE1 4.42Å; P95-F130 HydrophobicContact CG-CB 4.29Å; P95-F130 HydrophobicContact CG-CD1 4.39Å; P95-F130 HydrophobicContact CG-CD2 3.85Å; P95-F130 HydrophobicContact CG-CE2 4.19Å; P95-F130 HydrophobicContact CG-CG 3.95Å
96S92.6Very high93.2Very high53 Ų5359.7 Ų59.737%0.37129%0.291SS..BIsolated β-bridgetrans-152.6167.3175.582.70000111.1L94 Q98 F99L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.02Å; S96-Q98 PolarHBondContact O-N 2.8Å; S96-Q98 PolarHBondContact OG-N 2.86Å; S96-F99 VanDerWaalsContact O-O 3.13Å; S96-F99 VanDerWaalsContact OG-CB 3.31Å; S96-F99 WeakPolarHBondContact OG-CB 3.38Å; S96-F99 PolarHBondContact OG-N 2.68Å; S96-F99 VanDerWaalsContact OG-N 3.13Å
97R89.1Confident93.3Very high175 Ų17565.5 Ų65.566%0.6633%0.331SS*.THydrogen-bonded Turntrans-71.7-18.3176.2-64.3178.777.397.8-9.9113.4E87E87-R97 IonicContact OE1-CZ 3.08Å; E87-R97 IonicContact OE1-NH1 2.86Å; E87-R97 PolarHBondContact OE1-NH1 2.83Å; E87-R97 IonicContact OE1-NH2 3.53Å; E87-R97 PolarHBondContact OE1-NH2 3.48Å
98Q88.9Confident93.2Very high191 Ų19164.8 Ų64.889%0.89334%0.339SS*.THydrogen-bonded Turntrans-100.2-9.6-177.8-68.1-179.1-37.900112.8S96S96-Q98 PolarHBondContact O-N 2.8Å; S96-Q98 PolarHBondContact OG-N 2.86Å
99F90.9Very high93.2Very high76 Ų7658.6 Ų58.633%0.33332%0.316SS..BIsolated β-bridgetrans-136.3127.7-170.5-172.1-110000112.4Y46 N70 P95 S96 F130Y46-F99 HydrophobicContact CE1-CE2 4.1Å; Y46-F99 AromaticContact CE1-CZ 3.96Å; Y46-F99 HydrophobicContact CE1-CZ 3.96Å; Y46-F99 WeakPolarHBondContact OH-CE2 3.38Å; N70-F99 WeakPolarHBondContact ND2-CE1 3.48Å; N70-F99 WeakPolarHBondContact ND2-CZ 3.21Å; P95-F99 HydrophobicContact CG-CD1 3.71Å; P95-F99 HydrophobicContact CG-CE1 4.42Å; S96-F99 VanDerWaalsContact O-O 3.13Å; S96-F99 VanDerWaalsContact OG-CB 3.31Å; S96-F99 WeakPolarHBondContact OG-CB 3.38Å; S96-F99 PolarHBondContact OG-N 2.68Å; S96-F99 VanDerWaalsContact OG-N 3.13Å; F99-F130 HydrophobicContact CD1-CB 3.93Å; F99-F130 HydrophobicContact CE1-CB 3.64Å; F99-F130 HydrophobicContact CE1-CD2 4.33Å; F99-F130 HydrophobicContact CE1-CG 4.46Å; F99-F130 WeakPolarHBondContact CE1-OXT 3.45Å; F99-F130 HydrophobicContact CZ-CB 4.34Å; F99-F130 WeakPolarHBondContact CZ-OXT 3.45Å
100G94.2Very high93.3Very high6 Ų657.3 Ų57.36%0.06231%0.313CS..  trans100.5157.6177.300000114.2F129G100-F129 CarbonylContact C-O 3.54Å; G100-F129 WeakPolarHBondContact CA-O 3.32Å
101Y96.1Very high93.4Very high43 Ų4356.1 Ų56.117%0.16931%0.308CS..EExtended strand (participates in β ladder)trans-133.7131.1-175.1-62-83.4000111.1H44 Y46 D112 H113 E114 F128 F129H44-Y101 HydrophobicContact CB-CD2 4.23Å; H44-Y101 HydrophobicContact CB-CE2 3.97Å; H44-Y101 AromaticContact CE1-CD1 3.78Å; H44-Y101 AromaticContact CE1-CE1 3.34Å; H44-Y101 WeakPolarHBondContact CE1-CE1 3.31Å; H44-Y101 AromaticContact CE1-CZ 3.51Å; H44-Y101 AromaticContact CG-CD2 3.97Å; H44-Y101 AromaticContact CG-CE2 3.73Å; H44-Y101 AromaticContact CG-CZ 3.91Å; H44-Y101 AromaticContact ND1-CE1 3.65Å; H44-Y101 AromaticContact ND1-CE2 3.58Å; H44-Y101 AromaticContact ND1-CZ 3.27Å; H44-Y101 VanDerWaalsContact ND1-CZ 3.27Å; H44-Y101 PolarHBondContact ND1-OH 3.06Å; H44-Y101 AromaticContact NE2-CD1 3.84Å; H44-Y101 AromaticContact NE2-CE1 3.89Å; Y46-Y101 AromaticContact CE2-CD2 3.82Å; Y46-Y101 HydrophobicContact CE2-CD2 3.82Å; Y46-Y101 AromaticContact CE2-CE2 3.78Å; Y46-Y101 HydrophobicContact CE2-CE2 3.78Å; Y101-D112 HydrophobicContact CD1-CB 4.25Å; Y101-H113 AromaticContact CD1-CE1 3.94Å; Y101-E114 HydrophobicContact CE1-CG 4.49Å; Y101-F128 CarbonylContact O-C 3.53Å; Y101-F128 VanDerWaalsContact O-CA 3.25Å; Y101-F128 WeakPolarHBondContact O-CA 3.25Å; Y101-F129 HydrophobicContact CD2-CD2 4.34Å; Y101-F129 AromaticContact CD2-CE2 3.53Å; Y101-F129 HydrophobicContact CD2-CE2 3.53Å; Y101-F129 AromaticContact CD2-CZ 3.91Å; Y101-F129 HydrophobicContact CD2-CZ 3.91Å; Y101-F129 HydrophobicContact CG-CE2 4.06Å; Y101-F129 AromaticContact CG-CZ 3.99Å; Y101-F129 HydrophobicContact CG-CZ 3.99Å; Y101-F129 PolarHBondContact N-O 3.04Å; Y101-F129 PolarHBondContact O-N 2.92Å
102I95.7Very high93.5Very high0 Ų052 Ų520%029%0.286CS..EExtended strand (participates in β ladder)trans-87.6133.7163.8-60.8169.5000108.4W89 Q90 L93 L94 L104 D112 H113 I125 F128W89-I102 HydrophobicContact CB-CD1 4.16Å; Q90-I102 HydrophobicContact CB-CD1 4.47Å; Q90-I102 HydrophobicContact CG-CD1 4Å; L93-I102 HydrophobicContact CB-CD1 4.39Å; L93-I102 HydrophobicContact CD1-CD1 3.86Å; L93-I102 HydrophobicContact CD1-CG1 4.1Å; L94-I102 HydrophobicContact CD1-CD1 4.43Å; L94-I102 HydrophobicContact CD1-CG1 4.31Å; L94-I102 HydrophobicContact CD2-CG1 4.02Å; L94-I102 HydrophobicContact CG-CD1 4.33Å; L94-I102 HydrophobicContact CG-CG1 4.14Å; I102-L104 HydrophobicContact CG2-CD2 3.91Å; I102-L104 HydrophobicContact CG2-CG 4.39Å; I102-D112 CarbonylContact O-C 3.6Å; I102-D112 WeakPolarHBondContact O-CA 3.44Å; I102-H113 HydrophobicContact CB-CB 4.1Å; I102-H113 PolarHBondContact N-ND1 3.45Å; I102-H113 VanDerWaalsContact N-ND1 3.11Å; I102-H113 PolarHBondContact O-N 3Å; I102-H113 PolarHBondContact O-ND1 2.74Å; I102-I125 HydrophobicContact CG2-CD1 3.59Å; I102-I125 HydrophobicContact CG2-CG1 3.81Å; I102-F128 HydrophobicContact CG1-CB 4.49Å
103V96.3Very high93.5Very high0 Ų047 Ų470%026%0.258CS..EExtended strand (participates in β ladder)trans-104.2130.6176.8-175.50000109.7F37 V40 I110 L126 G127 F129F37-V103 HydrophobicContact CD2-CB 4.01Å; F37-V103 HydrophobicContact CD2-CG1 3.77Å; F37-V103 HydrophobicContact CD2-CG2 4.16Å; F37-V103 HydrophobicContact CE1-CG2 4.32Å; F37-V103 HydrophobicContact CE2-CB 3.53Å; F37-V103 HydrophobicContact CE2-CG1 3.84Å; F37-V103 HydrophobicContact CE2-CG2 3.61Å; F37-V103 HydrophobicContact CZ-CB 4.11Å; F37-V103 HydrophobicContact CZ-CG2 3.7Å; V40-V103 HydrophobicContact CG1-CG2 4.26Å; V103-I110 HydrophobicContact CG1-CG2 3.47Å; V103-I110 VanDerWaalsContact CG1-CG2 3.47Å; V103-L126 HydrophobicContact CG1-CB 4.46Å; V103-L126 HydrophobicContact CG1-CD1 4.17Å; V103-L126 PolarHBondContact O-N 3.1Å; V103-G127 PolarHBondContact N-O 2.89Å; V103-G127 PolarHBondContact O-N 2.85Å; V103-F129 HydrophobicContact CG2-CD1 3.82Å; V103-F129 HydrophobicContact CG2-CE1 3.47Å; V103-F129 VanDerWaalsContact CG2-CE1 3.47Å
104L95.6Very high93.5Very high2 Ų248.8 Ų48.81%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-120.2145-176.8-55.6172000110L81 L86 I102 T106 I110 M111 H113 A116 K124 I125L81-L104 HydrophobicContact CD1-CD2 4.13Å; L81-L104 HydrophobicContact CD2-CD1 4.28Å; L81-L104 HydrophobicContact CD2-CD2 4.29Å; L86-L104 HydrophobicContact CD1-CD1 4.14Å; I102-L104 HydrophobicContact CG2-CD2 3.91Å; I102-L104 HydrophobicContact CG2-CG 4.39Å; L104-T106 HydrophobicContact CB-CG2 4.28Å; L104-I110 WeakPolarHBondContact O-CA 3.19Å; L104-M111 PolarHBondContact N-O 2.94Å; L104-M111 PolarHBondContact O-N 3.29Å; L104-H113 HydrophobicContact CD1-CB 4.2Å; L104-A116 HydrophobicContact CD1-CB 3.78Å; L104-K124 CarbonylContact C-O 3.5Å; L104-K124 WeakPolarHBondContact CA-O 3.37Å; L104-I125 HydrophobicContact CD2-CB 4.1Å; L104-I125 HydrophobicContact CD2-CG1 4.08Å
105T95.4Very high93.4Very high49 Ų4949.9 Ų49.930%0.30127%0.271SS..EExtended strand (participates in β ladder)trans-94113.9161.9-58.20000108.4I110 G123 K124 L126T105-I110 HydrophobicContact CG2-CG1 4.43Å; T105-G123 CarbonylContact O-C 3.59Å; T105-G123 WeakPolarHBondContact O-CA 3.24Å; T105-K124 PolarHBondContact N-O 3.17Å; T105-K124 PolarHBondContact O-N 3.25Å; T105-L126 WeakPolarHBondContact OG1-CD1 2.91Å; T105-L126 WeakPolarHBondContact OG1-CD2 2.95Å; T105-L126 WeakPolarHBondContact OG1-CG 3.36Å
106T94.6Very high93.4Very high11 Ų1146.1 Ų46.17%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-111.1171.2174.771.40000109.8L104 A108 G109 M111 T121 G122L104-T106 HydrophobicContact CB-CG2 4.28Å; T106-A108 PolarHBondContact O-N 3.09Å; T106-A108 PolarHBondContact OG1-N 3.13Å; T106-G109 PolarHBondContact N-O 3.47Å; T106-G109 PolarHBondContact O-N 3.42Å; T106-G109 PolarHBondContact OG1-N 3.49Å; T106-G109 PolarHBondContact OG1-O 2.94Å; T106-M111 HydrophobicContact CG2-CG 4.15Å; T106-M111 HydrophobicContact CG2-SD 4.09Å; T106-M111 VanDerWaalsContact OG1-CE 3.24Å; T106-M111 WeakPolarHBondContact OG1-CE 3.09Å; T106-T121 HydrophobicContact CG2-CG2 4.25Å; T106-G122 WeakPolarHBondContact CB-O 3.41Å; T106-G122 VanDerWaalsContact CG2-O 3.3Å; T106-G122 WeakPolarHBondContact CG2-O 3.2Å
107S91.3Very high93.4Very high122 Ų12249.7 Ų49.785%0.85325%0.252SS*.THydrogen-bonded Turntrans-60-31171.249.50000112.7G109S107-G109 VanDerWaalsContact C-N 3.26Å; S107-G109 PolarHBondContact O-N 3.15Å
108A89.9Confident93.6Very high64 Ų6450.2 Ų50.253%0.52925%0.254SS..THydrogen-bonded Turntrans-82.52176.500000113.7T106 M111T106-A108 PolarHBondContact O-N 3.09Å; T106-A108 PolarHBondContact OG1-N 3.13Å; A108-M111 HydrophobicContact CB-CE 3.8Å
109G92.8Very high93.8Very high14 Ų1445.8 Ų45.814%0.14423%0.232CC..EExtended strand (participates in β ladder)trans118.8-172.1177.600000114.2T106 S107T106-G109 PolarHBondContact N-O 3.47Å; T106-G109 PolarHBondContact O-N 3.42Å; T106-G109 PolarHBondContact OG1-N 3.49Å; T106-G109 PolarHBondContact OG1-O 2.94Å; S107-G109 VanDerWaalsContact C-N 3.26Å; S107-G109 PolarHBondContact O-N 3.15Å
110I95.6Very high93.9Very high30 Ų3049.5 Ų49.515%0.15425%0.249CC..EExtended strand (participates in β ladder)trans-87.2123.5176.3-64.9172.6000107.8V33 R36 V103 L104 T105 L126V33-I110 HydrophobicContact CB-CD1 4.47Å; V33-I110 HydrophobicContact CG1-CD1 4.03Å; R36-I110 HydrophobicContact CB-CB 4.24Å; R36-I110 HydrophobicContact CB-CD1 3.89Å; V103-I110 HydrophobicContact CG1-CG2 3.47Å; V103-I110 VanDerWaalsContact CG1-CG2 3.47Å; L104-I110 WeakPolarHBondContact O-CA 3.19Å; T105-I110 HydrophobicContact CG2-CG1 4.43Å; I110-L126 HydrophobicContact CD1-CD1 3.82Å; I110-L126 HydrophobicContact CG1-CD1 3.94Å; I110-L126 HydrophobicContact CG2-CD1 3.86Å
111M95.2Very high93.9Very high4 Ų450.9 Ų50.92%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-148.7165.7-176.561.8-170.963.500110.6L104 T106 A108 E115 A116 K119L104-M111 PolarHBondContact N-O 2.94Å; L104-M111 PolarHBondContact O-N 3.29Å; T106-M111 HydrophobicContact CG2-CG 4.15Å; T106-M111 HydrophobicContact CG2-SD 4.09Å; T106-M111 VanDerWaalsContact OG1-CE 3.24Å; T106-M111 WeakPolarHBondContact OG1-CE 3.09Å; A108-M111 HydrophobicContact CB-CE 3.8Å; M111-E115 HydrophobicContact CB-CB 4.17Å; M111-E115 HydrophobicContact CB-CG 4.29Å; M111-E115 HydrophobicContact CG-CB 4.49Å; M111-E115 HydrophobicContact SD-CB 4.43Å; M111-E115 HydrophobicContact SD-CG 4.2Å; M111-A116 HydrophobicContact CG-CB 4.27Å; M111-A116 HydrophobicContact SD-CB 4.16Å; M111-K119 HydrophobicContact CE-CD 4.02Å; M111-K119 HydrophobicContact SD-CD 4Å
112D95.1Very high93.6Very high4 Ų450.2 Ų50.22%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-75.1162.5169.962-80.5000111.5V40 H44 Y101 I102 E114 E115 A116V40-D112 HydrophobicContact CG1-CB 4.28Å; H44-D112 IonicContact NE2-OD1 2.91Å; Y101-D112 HydrophobicContact CD1-CB 4.25Å; I102-D112 CarbonylContact O-C 3.6Å; I102-D112 WeakPolarHBondContact O-CA 3.44Å; D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.47Å; D112-E114 WeakPolarHBondContact OD2-CB 3.45Å; D112-E114 PolarHBondContact OD2-N 2.98Å; D112-E114 VanDerWaalsContact OD2-N 3.16Å; D112-E115 PolarHBondContact O-N 2.88Å; D112-E115 PolarHBondContact OD2-N 3.06Å; D112-A116 PolarHBondContact O-N 3.31Å
113H93.3Very high93.6Very high9 Ų951 Ų514%0.04227%0.272CS..Hα-helixtrans-66.5-25.2-177.470.3-82.8000114.7L86 Q90 Y101 I102 L104 R117L86-H113 HydrophobicContact CD1-CB 3.78Å; L86-H113 HydrophobicContact CD2-CB 4.15Å; L86-H113 HydrophobicContact CG-CB 4.42Å; Q90-H113 PolarHBondContact NE2-CD2 3.19Å; Q90-H113 PolarHBondContact NE2-NE2 3Å; Y101-H113 AromaticContact CD1-CE1 3.94Å; I102-H113 HydrophobicContact CB-CB 4.1Å; I102-H113 PolarHBondContact N-ND1 3.45Å; I102-H113 VanDerWaalsContact N-ND1 3.11Å; I102-H113 PolarHBondContact O-N 3Å; I102-H113 PolarHBondContact O-ND1 2.74Å; L104-H113 HydrophobicContact CD1-CB 4.2Å; H113-R117 PolarHBondContact O-N 3.11Å
114E92.8Very high93.5Very high73 Ų7355.2 Ų55.234%0.34129%0.29SS..Hα-helixtrans-72.5-44.4174.6-57.5-176.2178.700110.2Y101 D112 A116 R117 R118Y101-E114 HydrophobicContact CE1-CG 4.49Å; D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.47Å; D112-E114 WeakPolarHBondContact OD2-CB 3.45Å; D112-E114 PolarHBondContact OD2-N 2.98Å; D112-E114 VanDerWaalsContact OD2-N 3.16Å; E114-A116 VanDerWaalsContact C-N 3.29Å; E114-A116 PolarHBondContact O-N 3.04Å; E114-R117 PolarHBondContact O-N 3.16Å; E114-R118 WeakPolarHBondContact O-CG 3.31Å; E114-R118 PolarHBondContact O-N 2.92Å; E114-R118 IonicContact OE2-NH2 2.67Å; E114-R118 PolarHBondContact OE2-NH2 3.33Å
115E93.1Very high93.5Very high42 Ų4255.1 Ų55.120%0.19629%0.289CS..Hα-helixtrans-60.6-40.6174.5-167.5176.6149.200111.2K43 M111 D112 R117 R118 K119K43-E115 IonicContact NZ-OE2 2.86Å; K43-E115 PolarHBondContact NZ-OE2 3Å; K43-E115 VanDerWaalsContact NZ-OE2 3.08Å; M111-E115 HydrophobicContact CB-CB 4.17Å; M111-E115 HydrophobicContact CB-CG 4.29Å; M111-E115 HydrophobicContact CG-CB 4.49Å; M111-E115 HydrophobicContact SD-CB 4.43Å; M111-E115 HydrophobicContact SD-CG 4.2Å; D112-E115 PolarHBondContact O-N 2.88Å; D112-E115 PolarHBondContact OD2-N 3.06Å; E115-R117 PolarHBondContact O-N 2.85Å; E115-R118 PolarHBondContact O-N 3.38Å; E115-K119 HydrophobicContact CG-CD 4.22Å; E115-K119 WeakPolarHBondContact O-CB 3.34Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 3.47Å; E115-K119 WeakPolarHBondContact OE1-CE 3.45Å; E115-K119 IonicContact OE1-NZ 3.9Å; E115-K119 PolarHBondContact OE1-NZ 3.46Å
116A93.8Very high93.5Very high1 Ų152.8 Ų52.81%0.00828%0.275CS..Hα-helixtrans-61.5-40.8174.300000112.6L104 M111 D112 E114 K119 H120 T121L104-A116 HydrophobicContact CD1-CB 3.78Å; M111-A116 HydrophobicContact CG-CB 4.27Å; M111-A116 HydrophobicContact SD-CB 4.16Å; D112-A116 PolarHBondContact O-N 3.31Å; E114-A116 VanDerWaalsContact C-N 3.29Å; E114-A116 PolarHBondContact O-N 3.04Å; A116-K119 CarbonylContact O-C 3.6Å; A116-K119 PolarHBondContact O-N 3.01Å; A116-H120 PolarHBondContact O-N 3.21Å; A116-H120 VanDerWaalsContact O-N 3.09Å; A116-T121 PolarHBondContact O-N 3.41Å
117R92.3Very high93.6Very high128 Ų12852.2 Ų52.248%0.48327%0.272SS..Hα-helixtrans-65.6-42.6175-176.8178.9-93.8-173.7-5.6111.6L86 H113 E114 E115 K119 H120L86-R117 HydrophobicContact CD2-CB 4.48Å; H113-R117 PolarHBondContact O-N 3.11Å; E114-R117 PolarHBondContact O-N 3.16Å; E115-R117 PolarHBondContact O-N 2.85Å; R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.17Å; R117-H120 PolarHBondContact O-N 2.88Å; R117-H120 VanDerWaalsContact O-N 3.15Å
118R93.4Very high93.8Very high185 Ų18547.5 Ų47.570%0.69824%0.236SC*.Hα-helixtrans-62.8-40176.7-69177.5-135.7176.82.5112.2E114 E115 H120E114-R118 WeakPolarHBondContact O-CG 3.31Å; E114-R118 PolarHBondContact O-N 2.92Å; E114-R118 IonicContact OE2-NH2 2.67Å; E114-R118 PolarHBondContact OE2-NH2 3.33Å; E115-R118 PolarHBondContact O-N 3.38Å; R118-H120 PolarHBondContact O-N 3.13Å
119K93.4Very high94.1Very high99 Ų9944.5 Ų44.543%0.4321%0.211SC..THydrogen-bonded Turntrans-82.13.1177-70.2177.7173.3172.30113.6M111 E115 A116 R117 T121M111-K119 HydrophobicContact CE-CD 4.02Å; M111-K119 HydrophobicContact SD-CD 4Å; E115-K119 HydrophobicContact CG-CD 4.22Å; E115-K119 WeakPolarHBondContact O-CB 3.34Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 3.47Å; E115-K119 WeakPolarHBondContact OE1-CE 3.45Å; E115-K119 IonicContact OE1-NZ 3.9Å; E115-K119 PolarHBondContact OE1-NZ 3.46Å; A116-K119 CarbonylContact O-C 3.6Å; A116-K119 PolarHBondContact O-N 3.01Å; R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.17Å; K119-T121 PolarHBondContact O-N 3.31Å; K119-T121 VanDerWaalsContact O-N 3.13Å; K119-T121 PolarHBondContact O-OG1 3.33Å
120H92.4Very high94.2Very high153 Ų15345.2 Ų45.271%0.70821%0.21SC*.THydrogen-bonded Turntrans46.843.7-176.9-158.380.1000112.8L83 A116 R117 R118L83-H120 HydrophobicContact CD1-CB 4.37Å; A116-H120 PolarHBondContact O-N 3.21Å; A116-H120 VanDerWaalsContact O-N 3.09Å; R117-H120 PolarHBondContact O-N 2.88Å; R117-H120 VanDerWaalsContact O-N 3.15Å; R118-H120 PolarHBondContact O-N 3.13Å
121T93Very high94.1Very high35 Ų3546 Ų4622%0.21521%0.213CC..  trans-126.5131.5-174.7-57.50000110.8T106 A116 K119T106-T121 HydrophobicContact CG2-CG2 4.25Å; A116-T121 PolarHBondContact O-N 3.41Å; K119-T121 PolarHBondContact O-N 3.31Å; K119-T121 VanDerWaalsContact O-N 3.13Å; K119-T121 PolarHBondContact O-OG1 3.33Å
122G91.8Very high94.1Very high29 Ų2948.2 Ų48.230%0.29922%0.223SC..  trans-88.3-175.4171.200000112.6L81 T106L81-G122 WeakPolarHBondContact O-CA 3.46Å; T106-G122 WeakPolarHBondContact CB-O 3.41Å; T106-G122 VanDerWaalsContact CG2-O 3.3Å; T106-G122 WeakPolarHBondContact CG2-O 3.2Å
123G94.4Very high94Very high18 Ų1850.7 Ų50.719%0.18623%0.234CC..EExtended strand (participates in β ladder)trans176.9-155.2178.800000113.2L81 T105L81-G123 WeakPolarHBondContact CA-O 3.49Å; L81-G123 PolarHBondContact N-O 3.47Å; L81-G123 PolarHBondContact O-N 3.21Å; T105-G123 CarbonylContact O-C 3.59Å; T105-G123 WeakPolarHBondContact O-CA 3.24Å
124K95.4Very high94.1Very high87 Ų8753.1 Ų53.138%0.37825%0.246SC..EExtended strand (participates in β ladder)trans-106.2137.5174.8-72.3179.2-175.8-71.90110.7F79 D80 L104 T105 L126F79-K124 CarbonylContact O-C 3.51Å; F79-K124 VanDerWaalsContact O-CA 3.31Å; F79-K124 WeakPolarHBondContact O-CA 3.45Å; D80-K124 WeakPolarHBondContact OD1-CE 3.47Å; D80-K124 WeakPolarHBondContact OD1-CG 3.33Å; D80-K124 IonicContact OD1-NZ 3.9Å; D80-K124 PolarHBondContact OD1-NZ 3.37Å; D80-K124 IonicContact OD2-NZ 3.64Å; D80-K124 PolarHBondContact OD2-NZ 3.01Å; L104-K124 CarbonylContact C-O 3.5Å; L104-K124 WeakPolarHBondContact CA-O 3.37Å; T105-K124 PolarHBondContact N-O 3.17Å; T105-K124 PolarHBondContact O-N 3.25Å; K124-L126 PolarHBondContact O-N 3.18Å
125I95.1Very high94.2Very high0 Ų051.9 Ų51.90%024%0.24CC..EExtended strand (participates in β ladder)trans-71.9130.5176.7-161.5157.7000110.8I75 R78 F79 L81 W89 L93 I102 L104I75-I125 HydrophobicContact CB-CG2 4.13Å; I75-I125 HydrophobicContact CD1-CD1 3.57Å; I75-I125 HydrophobicContact CD1-CG1 3.97Å; I75-I125 HydrophobicContact CG2-CG2 3.82Å; R78-I125 WeakPolarHBondContact CB-O 3.44Å; R78-I125 WeakPolarHBondContact CG-O 3.41Å; F79-I125 HydrophobicContact CB-CG2 4.05Å; F79-I125 HydrophobicContact CD2-CG2 4.43Å; F79-I125 PolarHBondContact O-N 3.28Å; L81-I125 HydrophobicContact CD1-CB 4.46Å; L81-I125 HydrophobicContact CD1-CD1 4.03Å; W89-I125 HydrophobicContact CD2-CD1 4.19Å; W89-I125 HydrophobicContact CE3-CD1 4.01Å; W89-I125 HydrophobicContact CZ3-CD1 4.48Å; L93-I125 HydrophobicContact CD1-CD1 3.77Å; I102-I125 HydrophobicContact CG2-CD1 3.59Å; I102-I125 HydrophobicContact CG2-CG1 3.81Å; L104-I125 HydrophobicContact CD2-CB 4.1Å; L104-I125 HydrophobicContact CD2-CG1 4.08Å
126L95.1Very high94.2Very high0 Ų052.5 Ų52.50%024%0.243CC..EExtended strand (participates in β ladder)trans-98.3-48.2174.5-75.9180000111.3V33 F37 V74 I75 V103 T105 I110 K124V33-L126 HydrophobicContact CG1-CD1 4.26Å; V33-L126 HydrophobicContact CG1-CD2 4.45Å; F37-L126 HydrophobicContact CD2-CB 4.44Å; F37-L126 HydrophobicContact CD2-CD1 4.47Å; F37-L126 HydrophobicContact CE2-CB 4.29Å; V74-L126 WeakPolarHBondContact CG1-O 3.31Å; I75-L126 PolarHBondContact N-O 3.36Å; V103-L126 HydrophobicContact CG1-CB 4.46Å; V103-L126 HydrophobicContact CG1-CD1 4.17Å; V103-L126 PolarHBondContact O-N 3.1Å; T105-L126 WeakPolarHBondContact OG1-CD1 2.91Å; T105-L126 WeakPolarHBondContact OG1-CD2 2.95Å; T105-L126 WeakPolarHBondContact OG1-CG 3.36Å; I110-L126 HydrophobicContact CD1-CD1 3.82Å; I110-L126 HydrophobicContact CG1-CD1 3.94Å; I110-L126 HydrophobicContact CG2-CD1 3.86Å; K124-L126 PolarHBondContact O-N 3.18Å
127G95.8Very high94.3Very high0 Ų056.2 Ų56.20%026%0.259CS..EExtended strand (participates in β ladder)trans175.9-171.7-170.900000111.8G73 V103G73-G127 CarbonylContact O-C 3.48Å; G73-G127 WeakPolarHBondContact O-CA 3.45Å; V103-G127 PolarHBondContact N-O 2.89Å; V103-G127 PolarHBondContact O-N 2.85Å
128F96.3Very high94.4Very high23 Ų2350.7 Ų50.710%0.10124%0.242CC..EExtended strand (participates in β ladder)trans-143.6157.5-179.863.1-88.6000110.1K71 C72 G73 I75 L93 Y101 I102 F130K71-F128 HydrophobicContact CD-CE2 4.21Å; K71-F128 HydrophobicContact CG-CE2 4.25Å; C72-F128 WeakPolarHBondContact CA-O 3.14Å; G73-F128 PolarHBondContact N-O 3.18Å; G73-F128 PolarHBondContact O-N 3.04Å; I75-F128 HydrophobicContact CD1-CD1 4.12Å; I75-F128 HydrophobicContact CG1-CD1 4.08Å; I75-F128 HydrophobicContact CG1-CE1 4.31Å; L93-F128 HydrophobicContact CD2-CD1 4.15Å; L93-F128 HydrophobicContact CD2-CE1 4.23Å; Y101-F128 CarbonylContact O-C 3.53Å; Y101-F128 VanDerWaalsContact O-CA 3.25Å; Y101-F128 WeakPolarHBondContact O-CA 3.25Å; I102-F128 HydrophobicContact CG1-CB 4.49Å; F128-F130 AromaticContact CD2-CD1 3.77Å; F128-F130 HydrophobicContact CD2-CD1 3.77Å; F128-F130 AromaticContact CD2-CE1 3.45Å; F128-F130 HydrophobicContact CD2-CE1 3.45Å; F128-F130 VanDerWaalsContact CD2-CE1 3.45Å; F128-F130 HydrophobicContact CE2-CD1 4.23Å; F128-F130 AromaticContact CE2-CE1 3.49Å; F128-F130 HydrophobicContact CE2-CE1 3.49Å; F128-F130 VanDerWaalsContact CE2-CE1 3.49Å; F128-F130 HydrophobicContact CE2-CZ 4.17Å
129F96.4Very high94.5Very high0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-146.5146.4168.962-91.5000110.5F37 V40 M41 H44 Y46 L69 K71 C72 G100 Y101 V103F37-F129 AromaticContact CE1-CD1 3.99Å; F37-F129 HydrophobicContact CE1-CD1 3.99Å; F37-F129 HydrophobicContact CZ-CD1 4.16Å; V40-F129 HydrophobicContact CG1-CE1 4Å; V40-F129 HydrophobicContact CG1-CZ 4.05Å; M41-F129 HydrophobicContact CE-CB 4.09Å; M41-F129 HydrophobicContact CE-CG 4.35Å; M41-F129 HydrophobicContact CG-CD1 3.67Å; M41-F129 HydrophobicContact CG-CD2 4.23Å; M41-F129 HydrophobicContact CG-CE1 3.79Å; M41-F129 HydrophobicContact CG-CE2 4.35Å; M41-F129 HydrophobicContact CG-CG 3.89Å; M41-F129 HydrophobicContact CG-CZ 4.14Å; H44-F129 HydrophobicContact CB-CE2 4.13Å; H44-F129 HydrophobicContact CB-CZ 4.34Å; H44-F129 AromaticContact CD2-CZ 3.91Å; Y46-F129 HydrophobicContact CD1-CD2 4.25Å; Y46-F129 AromaticContact CD2-CD2 3.64Å; Y46-F129 HydrophobicContact CD2-CD2 3.64Å; Y46-F129 AromaticContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CE1-CD2 4.43Å; Y46-F129 AromaticContact CE2-CD2 3.85Å; Y46-F129 HydrophobicContact CE2-CD2 3.85Å; Y46-F129 AromaticContact CE2-CE2 3.58Å; Y46-F129 HydrophobicContact CE2-CE2 3.58Å; Y46-F129 AromaticContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CE2 4.05Å; L69-F129 HydrophobicContact CD1-CB 4.08Å; K71-F129 WeakPolarHBondContact O-CA 3.36Å; C72-F129 HydrophobicContact CB-CB 4.05Å; G100-F129 CarbonylContact C-O 3.54Å; G100-F129 WeakPolarHBondContact CA-O 3.32Å; Y101-F129 HydrophobicContact CD2-CD2 4.34Å; Y101-F129 AromaticContact CD2-CE2 3.53Å; Y101-F129 HydrophobicContact CD2-CE2 3.53Å; Y101-F129 AromaticContact CD2-CZ 3.91Å; Y101-F129 HydrophobicContact CD2-CZ 3.91Å; Y101-F129 HydrophobicContact CG-CE2 4.06Å; Y101-F129 AromaticContact CG-CZ 3.99Å; Y101-F129 HydrophobicContact CG-CZ 3.99Å; Y101-F129 PolarHBondContact N-O 3.04Å; Y101-F129 PolarHBondContact O-N 2.92Å; V103-F129 HydrophobicContact CG2-CD1 3.82Å; V103-F129 HydrophobicContact CG2-CE1 3.47Å; V103-F129 VanDerWaalsContact CG2-CE1 3.47Å
130F94.9Very high94.6Very high30 Ų3034.1 Ų34.113%0.13218%0.183CC..  trans-162.20173.856.3-101.4000108.4L69 N70 K71 L93 L94 P95 F99 F128L69-F130 WeakPolarHBondContact CD1-O 3.4Å; N70-F130 CarbonylContact C-O 3.54Å; N70-F130 WeakPolarHBondContact CA-O 3.4Å; N70-F130 HydrophobicContact CB-CD2 4.15Å; N70-F130 WeakPolarHBondContact CB-O 3.32Å; N70-F130 WeakPolarHBondContact CB-OXT 3.36Å; N70-F130 PolarHBondContact N-O 3.43Å; N70-F130 PolarHBondContact N-OXT 2.91Å; N70-F130 PolarHBondContact ND2-OXT 3.38Å; K71-F130 CarbonylContact C-O 3.56Å; K71-F130 HydrophobicContact CB-CD2 4.23Å; K71-F130 HydrophobicContact CB-CE2 3.72Å; K71-F130 HydrophobicContact CB-CZ 3.9Å; K71-F130 HydrophobicContact CD-CE2 4.42Å; K71-F130 HydrophobicContact CD-CZ 3.94Å; K71-F130 HydrophobicContact CG-CZ 4.4Å; K71-F130 PolarHBondContact N-O 2.86Å; K71-F130 PolarHBondContact O-N 3.36Å; K71-F130 VanDerWaalsContact O-O 3.05Å; L93-F130 WeakPolarHBondContact O-CE1 3.33Å; L94-F130 HydrophobicContact CD2-CD1 4.4Å; P95-F130 HydrophobicContact CG-CB 4.29Å; P95-F130 HydrophobicContact CG-CD1 4.39Å; P95-F130 HydrophobicContact CG-CD2 3.85Å; P95-F130 HydrophobicContact CG-CE2 4.19Å; P95-F130 HydrophobicContact CG-CG 3.95Å; F99-F130 HydrophobicContact CD1-CB 3.93Å; F99-F130 HydrophobicContact CE1-CB 3.64Å; F99-F130 HydrophobicContact CE1-CD2 4.33Å; F99-F130 HydrophobicContact CE1-CG 4.46Å; F99-F130 WeakPolarHBondContact CE1-OXT 3.45Å; F99-F130 HydrophobicContact CZ-CB 4.34Å; F99-F130 WeakPolarHBondContact CZ-OXT 3.45Å; F128-F130 AromaticContact CD2-CD1 3.77Å; F128-F130 HydrophobicContact CD2-CD1 3.77Å; F128-F130 AromaticContact CD2-CE1 3.45Å; F128-F130 HydrophobicContact CD2-CE1 3.45Å; F128-F130 VanDerWaalsContact CD2-CE1 3.45Å; F128-F130 HydrophobicContact CE2-CD1 4.23Å; F128-F130 AromaticContact CE2-CE1 3.49Å; F128-F130 HydrophobicContact CE2-CE1 3.49Å; F128-F130 VanDerWaalsContact CE2-CE1 3.49Å; F128-F130 HydrophobicContact CE2-CZ 4.17Å

Retrieved 130 of 130 residues in 649.4 ms (Link to these results)

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