A0A077Z782_TRITR Loading...

Elongation factor 1 beta

AlphaFold DB , UniProt , Accession A0A077Z782, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M40.4Very low60.9Low198 Ų19892.8 Ų92.898%0.97551%0.511SS*.  01060-74.5172.5174.900107.6Q3M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.04Å
2V46.1Very low62.5Low52 Ų5286.3 Ų86.332%0.31548%0.481SS..  trans-7197168.7-178.10000105.1L4 E15 T19V2-L4 VanDerWaalsContact C-N 3.33Å; V2-L4 HydrophobicContact CG1-CD1 4.15Å; V2-L4 HydrophobicContact CG1-CG 4.1Å; V2-L4 PolarHBondContact O-N 3.29Å; V2-L4 VanDerWaalsContact O-N 3.08Å; V2-E15 HydrophobicContact CG1-CG 4.11Å; V2-T19 HydrophobicContact CG2-CG2 4.03Å
3Q50.9Low63.9Low115 Ų11582.8 Ų82.854%0.53746%0.461SS..  trans-75.599.1168.6-65.1-131.9-10.200105.4M1 K5M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.04Å; Q3-K5 HydrophobicContact CB-CD 4.16Å; Q3-K5 HydrophobicContact CB-CG 3.65Å; Q3-K5 PolarHBondContact O-N 3.19Å
4L57.2Low65.2Low29 Ų2981.4 Ų81.415%0.15246%0.459CS..  trans-67.874.6170-69.9105.5000108V2 L7 V16 I26 V75V2-L4 VanDerWaalsContact C-N 3.33Å; V2-L4 HydrophobicContact CG1-CD1 4.15Å; V2-L4 HydrophobicContact CG1-CG 4.1Å; V2-L4 PolarHBondContact O-N 3.29Å; V2-L4 VanDerWaalsContact O-N 3.08Å; L4-L7 HydrophobicContact CB-CD2 3.72Å; L4-L7 HydrophobicContact CD2-CD2 3.42Å; L4-L7 VanDerWaalsContact CD2-CD2 3.42Å; L4-L7 HydrophobicContact CG-CD2 4.18Å; L4-V16 HydrophobicContact CD2-CG2 3.4Å; L4-V16 VanDerWaalsContact CD2-CG2 3.4Å; L4-V16 HydrophobicContact CG-CG2 4.32Å; L4-I26 HydrophobicContact CD1-CG2 3.59Å; L4-I26 HydrophobicContact CD2-CG2 4.07Å; L4-V75 HydrophobicContact CB-CG1 4.04Å; L4-V75 HydrophobicContact CD1-CG1 3.52Å; L4-V75 HydrophobicContact CG-CG1 4.41Å
5K54.5Low66.5Low152 Ų15283.4 Ų83.466%0.66146%0.463SS*.  trans-73.4-32.2-171.1-70.9-173.7176.4-179.60112.1Q3Q3-K5 HydrophobicContact CB-CD 4.16Å; Q3-K5 HydrophobicContact CB-CG 3.65Å; Q3-K5 PolarHBondContact O-N 3.19Å
6D61.2Low67.6Low106 Ų10678.5 Ų78.557%0.56744%0.436SS*.  trans-147.595.2-176.5-68-65000112.8N8 T9 G12D6-N8 PolarHBondContact O-N 3Å; D6-T9 PolarHBondContact O-N 3.37Å; D6-G12 WeakPolarHBondContact O-CA 3.45Å
7L63Low68.7Low32 Ų3275.4 Ų75.417%0.16842%0.418CS..THydrogen-bonded Turntrans-70.4-14-176.7-59.4175.2000114.2L4 F38L4-L7 HydrophobicContact CB-CD2 3.72Å; L4-L7 HydrophobicContact CD2-CD2 3.42Å; L4-L7 VanDerWaalsContact CD2-CD2 3.42Å; L4-L7 HydrophobicContact CG-CD2 4.18Å; L7-F38 HydrophobicContact CB-CD2 4.16Å; L7-F38 HydrophobicContact CB-CE2 4.03Å; L7-F38 HydrophobicContact CD1-CD2 3.89Å; L7-F38 HydrophobicContact CD2-CD2 3.55Å; L7-F38 HydrophobicContact CD2-CE2 3.54Å; L7-F38 HydrophobicContact CG-CD2 4.04Å; L7-F38 HydrophobicContact CG-CE2 4.21Å
8N65.9Low69.8Low135 Ų13579.6 Ų79.672%0.72243%0.432SS*.THydrogen-bonded Turntrans-103.60.2-178.6-70.5-25.2000114.2D6D6-N8 PolarHBondContact O-N 3Å
9T75.2Confident70.6Confident68 Ų6876.3 Ų76.342%0.41741%0.414SS..SBendtrans-100.4143.1-178.6-54.40000110D6 A11 G12 L13D6-T9 PolarHBondContact O-N 3.37Å; T9-A11 HydrophobicContact CG2-CB 4.13Å; T9-A11 PolarHBondContact O-N 3.21Å; T9-A11 VanDerWaalsContact O-N 3.12Å; T9-G12 WeakPolarHBondContact O-CA 3.44Å; T9-G12 PolarHBondContact O-N 3.42Å; T9-L13 PolarHBondContact O-N 2.57Å; T9-L13 VanDerWaalsContact O-N 3.1Å
10A76.2Confident71.4Confident65 Ų6572.5 Ų72.554%0.53739%0.394SS..Hα-helixtrans-54-33.6176.400000113S14A10-S14 PolarHBondContact O-N 2.83Å; A10-S14 VanDerWaalsContact O-N 3.15Å
11A79.6Confident72.2Confident69 Ų6975.2 Ų75.257%0.5740%0.404SS*.Hα-helixtrans-62.3-43.8172.800000112.5T9 S14 E15T9-A11 HydrophobicContact CG2-CB 4.13Å; T9-A11 PolarHBondContact O-N 3.21Å; T9-A11 VanDerWaalsContact O-N 3.12Å; A11-S14 PolarHBondContact O-N 2.94Å; A11-E15 PolarHBondContact O-N 3.1Å; A11-E15 VanDerWaalsContact O-N 3.07Å
12G79.7Confident74.4Confident15 Ų1569.7 Ų69.716%0.15539%0.385CS..Hα-helixtrans-65-43177.500000112.6D6 T9 S14 E15 V16D6-G12 WeakPolarHBondContact O-CA 3.45Å; T9-G12 WeakPolarHBondContact O-CA 3.44Å; T9-G12 PolarHBondContact O-N 3.42Å; G12-S14 VanDerWaalsContact C-N 3.28Å; G12-S14 PolarHBondContact O-N 2.65Å; G12-E15 PolarHBondContact O-N 2.84Å; G12-V16 WeakPolarHBondContact O-CG2 3.26Å; G12-V16 PolarHBondContact O-N 3.2Å
13L81.4Confident76.2Confident41 Ų4168.9 Ų68.922%0.21538%0.377CS..Hα-helixtrans-60.3-38.3175.6-63178000112.3T9 N17 F38 I42 Y49 L52T9-L13 PolarHBondContact O-N 2.57Å; T9-L13 VanDerWaalsContact O-N 3.1Å; L13-N17 WeakPolarHBondContact O-CB 3.2Å; L13-N17 PolarHBondContact O-N 3.35Å; L13-F38 HydrophobicContact CD2-CZ 4.46Å; L13-I42 HydrophobicContact CD2-CG2 4.21Å; L13-Y49 HydrophobicContact CB-CE2 4.2Å; L13-Y49 HydrophobicContact CD1-CE2 4.39Å; L13-L52 HydrophobicContact CB-CD2 4.42Å; L13-L52 HydrophobicContact CD2-CD2 3.89Å
14S82.1Confident78Confident62 Ų6266.1 Ų66.143%0.43437%0.371SS..Hα-helixtrans-67.1-39.9176.1-171.70000112.6A10 A11 G12 N17 K18A10-S14 PolarHBondContact O-N 2.83Å; A10-S14 VanDerWaalsContact O-N 3.15Å; A11-S14 PolarHBondContact O-N 2.94Å; G12-S14 VanDerWaalsContact C-N 3.28Å; G12-S14 PolarHBondContact O-N 2.65Å; S14-N17 PolarHBondContact O-N 2.99Å; S14-K18 PolarHBondContact O-N 3.45Å; S14-K18 VanDerWaalsContact O-N 3.14Å
15E84.3Confident79.5Confident112 Ų11266 Ų6652%0.52337%0.369SS..Hα-helixtrans-65.3-43.1177.7-169108.3-140.100111.4V2 A11 G12 K18 T19V2-E15 HydrophobicContact CG1-CG 4.11Å; A11-E15 PolarHBondContact O-N 3.1Å; A11-E15 VanDerWaalsContact O-N 3.07Å; G12-E15 PolarHBondContact O-N 2.84Å; E15-K18 PolarHBondContact O-N 2.96Å; E15-T19 PolarHBondContact O-N 3.29Å; E15-T19 PolarHBondContact O-OG1 2.91Å
16V84.3Confident81Confident5 Ų559.2 Ų59.23%0.0334%0.34CS..Hα-helixtrans-65.5-43.5176.3178.40000111.1L4 G12 K18 T19 L20 F38 L52L4-V16 HydrophobicContact CD2-CG2 3.4Å; L4-V16 VanDerWaalsContact CD2-CG2 3.4Å; L4-V16 HydrophobicContact CG-CG2 4.32Å; G12-V16 WeakPolarHBondContact O-CG2 3.26Å; G12-V16 PolarHBondContact O-N 3.2Å; V16-K18 VanDerWaalsContact C-N 3.27Å; V16-K18 PolarHBondContact O-N 2.87Å; V16-T19 WeakPolarHBondContact O-CB 3.41Å; V16-T19 PolarHBondContact O-N 2.94Å; V16-L20 HydrophobicContact CG1-CD1 3.71Å; V16-L20 HydrophobicContact CG1-CG 4.08Å; V16-L20 WeakPolarHBondContact O-CB 3.42Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 2.79Å; V16-F38 HydrophobicContact CB-CZ 4.38Å; V16-F38 HydrophobicContact CG1-CE1 3.74Å; V16-F38 HydrophobicContact CG1-CZ 4Å; V16-F38 HydrophobicContact CG2-CZ 4.16Å; V16-L52 HydrophobicContact CG1-CD1 4Å
17N86.3Confident82Confident25 Ų2555 Ų5513%0.13432%0.317CS..Hα-helixtrans-59.8-37.7177.6-176.375.8000112.3L13 S14 E21 Y49 H51 L52L13-N17 WeakPolarHBondContact O-CB 3.2Å; L13-N17 PolarHBondContact O-N 3.35Å; S14-N17 PolarHBondContact O-N 2.99Å; N17-E21 PolarHBondContact O-N 2.93Å; N17-Y49 HydrophobicContact CB-CD1 3.97Å; N17-Y49 HydrophobicContact CB-CG 4.47Å; N17-Y49 VanDerWaalsContact OD1-C 3.27Å; N17-Y49 WeakPolarHBondContact OD1-CA 3.37Å; N17-H51 PolarHBondContact O-CD2 3.4Å; N17-H51 WeakPolarHBondContact OD1-CB 3.44Å; N17-H51 PolarHBondContact OD1-N 3.29Å; N17-L52 HydrophobicContact CB-CB 4.43Å; N17-L52 PolarHBondContact OD1-N 3.04Å
18K87.2Confident83Confident151 Ų15153.9 Ų53.966%0.65731%0.313SS*.Hα-helixtrans-67.7-37.6173.9-172.4-179.6-179.7-176.80112.2S14 E15 V16 E21S14-K18 PolarHBondContact O-N 3.45Å; S14-K18 VanDerWaalsContact O-N 3.14Å; E15-K18 PolarHBondContact O-N 2.96Å; V16-K18 VanDerWaalsContact C-N 3.27Å; V16-K18 PolarHBondContact O-N 2.87Å; K18-E21 VanDerWaalsContact O-CB 3.3Å; K18-E21 WeakPolarHBondContact O-CB 3.31Å; K18-E21 PolarHBondContact O-N 2.75Å
19T85.6Confident83.9Confident17 Ų1755.6 Ų55.610%0.10431%0.311CS..Hα-helixtrans-65.6-46.5176.9-54.70000110.9V2 E15 V16 E21 S22 Q23V2-T19 HydrophobicContact CG2-CG2 4.03Å; E15-T19 PolarHBondContact O-N 3.29Å; E15-T19 PolarHBondContact O-OG1 2.91Å; V16-T19 WeakPolarHBondContact O-CB 3.41Å; V16-T19 PolarHBondContact O-N 2.94Å; T19-E21 PolarHBondContact O-N 2.84Å; T19-S22 PolarHBondContact O-N 3.08Å; T19-S22 VanDerWaalsContact O-N 3.09Å; T19-S22 PolarHBondContact O-OG 3.01Å; T19-Q23 PolarHBondContact O-N 3.34Å; T19-Q23 VanDerWaalsContact O-N 3.09Å
20L87Confident84.4Confident0 Ų055.3 Ų55.30%031%0.311CS..Hα-helixtrans-68.1-9.7176.9-66.7173.1000113.9V16 Q23 H51 L52 R54 W55V16-L20 HydrophobicContact CG1-CD1 3.71Å; V16-L20 HydrophobicContact CG1-CG 4.08Å; V16-L20 WeakPolarHBondContact O-CB 3.42Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 2.79Å; L20-Q23 CarbonylContact C-O 3.36Å; L20-Q23 WeakPolarHBondContact CA-O 3.23Å; L20-H51 HydrophobicContact CB-CB 3.75Å; L20-L52 HydrophobicContact CD1-CB 4.38Å; L20-L52 HydrophobicContact CD1-CD1 3.98Å; L20-R54 PolarHBondContact O-NH2 3.3Å; L20-W55 HydrophobicContact CD1-CB 3.63Å; L20-W55 HydrophobicContact CD1-CD2 4.31Å; L20-W55 HydrophobicContact CD1-CG 3.83Å; L20-W55 HydrophobicContact CD2-CB 4.12Å; L20-W55 HydrophobicContact CD2-CG 3.91Å; L20-W55 HydrophobicContact CG-CB 4.47Å
21E87.9Confident84.9Confident130 Ų13053.8 Ų53.861%0.60730%0.295SS*.Hα-helixtrans-67.1-45.8168.1-174177.8-175.100110.4N17 K18 T19N17-E21 PolarHBondContact O-N 2.93Å; K18-E21 VanDerWaalsContact O-CB 3.3Å; K18-E21 WeakPolarHBondContact O-CB 3.31Å; K18-E21 PolarHBondContact O-N 2.75Å; T19-E21 PolarHBondContact O-N 2.84Å
22S86.2Confident85.2Confident82 Ų8250.6 Ų50.657%0.57327%0.269SS*.Hα-helixtrans-86.4-18.9-178.663.40000114.4T19T19-S22 PolarHBondContact O-N 3.08Å; T19-S22 VanDerWaalsContact O-N 3.09Å; T19-S22 PolarHBondContact O-OG 3.01Å
23Q84.8Confident85.4Confident35 Ų3551 Ų5116%0.16427%0.269CS..  trans-133150.9-171.8-64.2-176.7-43.800111.8T19 L20 Y25 R54T19-Q23 PolarHBondContact O-N 3.34Å; T19-Q23 VanDerWaalsContact O-N 3.09Å; L20-Q23 CarbonylContact C-O 3.36Å; L20-Q23 WeakPolarHBondContact CA-O 3.23Å; Q23-Y25 WeakPolarHBondContact CB-O 3.14Å; Q23-R54 PolarHBondContact O-NH2 3.47Å
24S88.3Confident85.6Confident57 Ų5749.4 Ų49.440%0.39926%0.261SS..SBendtrans-76.5-32.6178.5-62.80000112.3G28S24-G28 PolarHBondContact N-O 2.89Å
25Y89.4Confident85.9Confident27 Ų2746.5 Ų46.511%0.10624%0.241CC..BIsolated β-bridgetrans-131.3169.8-177.2-59.2-84.8000110.3Q23 N27 G28 Y29 C30 P31 D35 H58 M59Q23-Y25 WeakPolarHBondContact CB-O 3.14Å; Y25-N27 VanDerWaalsContact C-N 3.27Å; Y25-N27 PolarHBondContact O-N 2.67Å; Y25-G28 PolarHBondContact N-O 3.05Å; Y25-G28 PolarHBondContact O-N 3.45Å; Y25-Y29 VanDerWaalsContact CD2-C 3.4Å; Y25-Y29 WeakPolarHBondContact CD2-O 3.4Å; Y25-Y29 VanDerWaalsContact CE2-O 3.24Å; Y25-Y29 WeakPolarHBondContact CE2-O 3.41Å; Y25-C30 VanDerWaalsContact CD2-C 3.47Å; Y25-P31 HydrophobicContact CD1-CB 3.88Å; Y25-P31 HydrophobicContact CE1-CB 3.58Å; Y25-P31 HydrophobicContact CE1-CG 4.26Å; Y25-D35 WeakPolarHBondContact CB-OD1 3.27Å; Y25-H58 AromaticContact CE1-CD2 3.73Å; Y25-H58 AromaticContact CE1-NE2 3.82Å; Y25-H58 AromaticContact CZ-CD2 3.94Å; Y25-H58 AromaticContact CZ-NE2 3.62Å; Y25-H58 PolarHBondContact OH-NE2 3.26Å; Y25-M59 HydrophobicContact CD1-CE 3.89Å; Y25-M59 HydrophobicContact CE1-CE 3.45Å; Y25-M59 VanDerWaalsContact CE1-CE 3.45Å
26I84.5Confident86Confident10 Ų1041.6 Ų41.65%0.05122%0.22CC..THydrogen-bonded Turntrans-60.9-37.9-176.4-62.5168.5000111.8L4 V34 D35 F38 W55L4-I26 HydrophobicContact CD1-CG2 3.59Å; L4-I26 HydrophobicContact CD2-CG2 4.07Å; I26-V34 HydrophobicContact CB-CG1 4.32Å; I26-V34 HydrophobicContact CD1-CG1 4.05Å; I26-V34 HydrophobicContact CG2-CG1 3.86Å; I26-D35 WeakPolarHBondContact CG1-OD1 3.23Å; I26-D35 PolarHBondContact N-OD1 3Å; I26-F38 HydrophobicContact CD1-CB 3.49Å; I26-F38 VanDerWaalsContact CD1-CB 3.49Å; I26-F38 HydrophobicContact CD1-CD1 3.48Å; I26-F38 VanDerWaalsContact CD1-CD1 3.48Å; I26-F38 HydrophobicContact CD1-CE1 4.44Å; I26-F38 HydrophobicContact CD1-CG 3.72Å; I26-F38 HydrophobicContact CG1-CD1 4.34Å; I26-W55 HydrophobicContact CD1-CZ2 4.02Å; I26-W55 HydrophobicContact CG1-CZ2 4.44Å
27N82.6Confident86Confident17 Ų1745.8 Ų45.89%0.09124%0.242CC..THydrogen-bonded Turntrans-108.826.7-177.9-79.3-6.7000113.4Y25 T32 C73 T74 E77Y25-N27 VanDerWaalsContact C-N 3.27Å; Y25-N27 PolarHBondContact O-N 2.67Å; N27-T32 HydrophobicContact CB-CG2 4.2Å; N27-C73 PolarHBondContact ND2-SG 3.14Å; N27-T74 PolarHBondContact ND2-O 2.85Å; N27-E77 PolarHBondContact ND2-O 2.83Å
28G83.7Confident85.9Confident8 Ų844.8 Ų44.88%0.08224%0.236CC..BIsolated β-bridgetrans125-130.4173.100000114.6S24 Y25S24-G28 PolarHBondContact N-O 2.89Å; Y25-G28 PolarHBondContact N-O 3.05Å; Y25-G28 PolarHBondContact O-N 3.45Å
29Y85.7Confident85.9Confident172 Ų17238.7 Ų38.768%0.67521%0.21SC*.SBendtrans-105.4-2.4-175.6-56.3-74.3000114Y25Y25-Y29 VanDerWaalsContact CD2-C 3.4Å; Y25-Y29 WeakPolarHBondContact CD2-O 3.4Å; Y25-Y29 VanDerWaalsContact CE2-O 3.24Å; Y25-Y29 WeakPolarHBondContact CE2-O 3.41Å
30C85.4Confident85.8Confident62 Ų6243.1 Ų43.142%0.41923%0.229SC..SBendtrans-117.1142.3177.1-66.80000110.6Y25Y25-C30 VanDerWaalsContact CD2-C 3.47Å
31P86.3Confident85.6Confident33 Ų3347.7 Ų47.721%0.21425%0.25CS..  trans-69.6137.6174.429.1-32.8000110.5Y25 W70Y25-P31 HydrophobicContact CD1-CB 3.88Å; Y25-P31 HydrophobicContact CE1-CB 3.58Å; Y25-P31 HydrophobicContact CE1-CG 4.26Å; P31-W70 HydrophobicContact CB-CD2 3.71Å; P31-W70 HydrophobicContact CB-CE3 4.02Å; P31-W70 HydrophobicContact CB-CG 4.17Å; P31-W70 HydrophobicContact CB-CH2 4.2Å; P31-W70 HydrophobicContact CB-CZ2 3.91Å; P31-W70 HydrophobicContact CB-CZ3 4.25Å; P31-W70 HydrophobicContact CG-CD2 4.25Å; P31-W70 HydrophobicContact CG-CG 4.35Å; P31-W70 HydrophobicContact CG-CZ2 4.39Å
32T86.8Confident85.3Confident1 Ų142.2 Ų42.21%0.00623%0.225CC..BIsolated β-bridgetrans-128.7170.5-179.664.30000110.9N27 V34 D35 A36 C73N27-T32 HydrophobicContact CB-CG2 4.2Å; T32-V34 PolarHBondContact O-N 3.44Å; T32-V34 VanDerWaalsContact O-N 3.12Å; T32-D35 PolarHBondContact N-OD2 3.46Å; T32-D35 VanDerWaalsContact N-OD2 3.09Å; T32-D35 WeakPolarHBondContact O-CB 3.44Å; T32-D35 PolarHBondContact O-N 3.36Å; T32-D35 PolarHBondContact OG1-OD2 3.4Å; T32-A36 PolarHBondContact O-N 2.96Å; T32-C73 HydrophobicContact CG2-CB 4Å
33S83.9Confident85Confident24 Ų2443.2 Ų43.217%0.16823%0.232CC..Hα-helixtrans-56.5-27.5174.162.20000113.5D35 A36 D37 E71 K72 C73S33-D35 VanDerWaalsContact C-N 3.3Å; S33-D35 PolarHBondContact O-N 3.39Å; S33-A36 PolarHBondContact O-N 2.84Å; S33-D37 PolarHBondContact O-N 3.03Å; S33-E71 PolarHBondContact N-O 3.49Å; S33-K72 WeakPolarHBondContact OG-CA 3.4Å; S33-C73 PolarHBondContact OG-N 3.18Å; S33-C73 PolarHBondContact OG-O 3.34Å
34V85Confident84.8Confident8 Ų846.1 Ų46.15%0.04825%0.252CS..Hα-helixtrans-62.9-38.6176.7-178.80000111.4I26 T32 D37 F38 C73 V75I26-V34 HydrophobicContact CB-CG1 4.32Å; I26-V34 HydrophobicContact CD1-CG1 4.05Å; I26-V34 HydrophobicContact CG2-CG1 3.86Å; T32-V34 PolarHBondContact O-N 3.44Å; T32-V34 VanDerWaalsContact O-N 3.12Å; V34-D37 PolarHBondContact O-N 3.01Å; V34-F38 WeakPolarHBondContact O-CB 3.28Å; V34-F38 PolarHBondContact O-N 2.82Å; V34-C73 HydrophobicContact CG2-CB 4.37Å; V34-C73 WeakPolarHBondContact CG2-O 3.14Å; V34-V75 HydrophobicContact CB-CG2 4.5Å; V34-V75 HydrophobicContact CG1-CG2 3.63Å; V34-V75 HydrophobicContact CG2-CG2 4.03Å
35D89Confident84.4Confident0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-66.2-41.5177.6-63.9-88.9000111.2Y25 I26 T32 S33 F38 F39 W55 M59 W70Y25-D35 WeakPolarHBondContact CB-OD1 3.27Å; I26-D35 WeakPolarHBondContact CG1-OD1 3.23Å; I26-D35 PolarHBondContact N-OD1 3Å; T32-D35 PolarHBondContact N-OD2 3.46Å; T32-D35 VanDerWaalsContact N-OD2 3.09Å; T32-D35 WeakPolarHBondContact O-CB 3.44Å; T32-D35 PolarHBondContact O-N 3.36Å; T32-D35 PolarHBondContact OG1-OD2 3.4Å; S33-D35 VanDerWaalsContact C-N 3.3Å; S33-D35 PolarHBondContact O-N 3.39Å; D35-F38 PolarHBondContact O-N 3.36Å; D35-F39 VanDerWaalsContact O-CB 3.3Å; D35-F39 WeakPolarHBondContact O-CB 3.43Å; D35-F39 PolarHBondContact O-N 3.02Å; D35-W55 HydrophobicContact CB-CZ2 3.94Å; D35-W55 WeakPolarHBondContact O-CZ2 3.4Å; D35-W55 PolarHBondContact OD1-NE1 3.35Å; D35-M59 HydrophobicContact CB-SD 3.85Å; D35-W70 HydrophobicContact CB-CZ3 4.35Å
36A87Confident83.9Confident10 Ų1046.9 Ų46.98%0.08326%0.261CS..Hα-helixtrans-63.7-45.5175.500000111.8T32 S33 F38 F39 H40 K67 W70T32-A36 PolarHBondContact O-N 2.96Å; S33-A36 PolarHBondContact O-N 2.84Å; A36-F38 PolarHBondContact O-N 3.11Å; A36-F39 PolarHBondContact O-N 3.41Å; A36-H40 PolarHBondContact O-N 2.85Å; A36-H40 PolarHBondContact O-ND1 2.85Å; A36-K67 HydrophobicContact CB-CB 4.22Å; A36-W70 HydrophobicContact CB-CE3 4.06Å; A36-W70 HydrophobicContact CB-CZ3 4.03Å
37D84.4Confident83.7Confident93 Ų9352.5 Ų52.550%0.49729%0.291SS..Hα-helixtrans-64.3-39.5178-71.4-26.8000112.1S33 V34 Q41S33-D37 PolarHBondContact O-N 3.03Å; V34-D37 PolarHBondContact O-N 3.01Å; D37-Q41 WeakPolarHBondContact O-CG 3.4Å; D37-Q41 PolarHBondContact O-N 2.87Å; D37-Q41 PolarHBondContact O-NE2 3.35Å; D37-Q41 VanDerWaalsContact O-NE2 3.11Å
38F84.1Confident83.7Confident3 Ų354.9 Ų54.91%0.01331%0.314CS..Hα-helixtrans-68.7-38.9176.9-176.8-126.7000111.6L7 L13 V16 I26 V34 D35 A36 H40 Q41 I42 L52 W55L7-F38 HydrophobicContact CB-CD2 4.16Å; L7-F38 HydrophobicContact CB-CE2 4.03Å; L7-F38 HydrophobicContact CD1-CD2 3.89Å; L7-F38 HydrophobicContact CD2-CD2 3.55Å; L7-F38 HydrophobicContact CD2-CE2 3.54Å; L7-F38 HydrophobicContact CG-CD2 4.04Å; L7-F38 HydrophobicContact CG-CE2 4.21Å; L13-F38 HydrophobicContact CD2-CZ 4.46Å; V16-F38 HydrophobicContact CB-CZ 4.38Å; V16-F38 HydrophobicContact CG1-CE1 3.74Å; V16-F38 HydrophobicContact CG1-CZ 4Å; V16-F38 HydrophobicContact CG2-CZ 4.16Å; I26-F38 HydrophobicContact CD1-CB 3.49Å; I26-F38 VanDerWaalsContact CD1-CB 3.49Å; I26-F38 HydrophobicContact CD1-CD1 3.48Å; I26-F38 VanDerWaalsContact CD1-CD1 3.48Å; I26-F38 HydrophobicContact CD1-CE1 4.44Å; I26-F38 HydrophobicContact CD1-CG 3.72Å; I26-F38 HydrophobicContact CG1-CD1 4.34Å; V34-F38 WeakPolarHBondContact O-CB 3.28Å; V34-F38 PolarHBondContact O-N 2.82Å; D35-F38 PolarHBondContact O-N 3.36Å; A36-F38 PolarHBondContact O-N 3.11Å; F38-H40 PolarHBondContact O-N 2.87Å; F38-Q41 PolarHBondContact O-N 2.81Å; F38-I42 HydrophobicContact CD1-CD1 4.44Å; F38-I42 HydrophobicContact CD2-CG2 3.9Å; F38-I42 HydrophobicContact CE1-CD1 3.84Å; F38-I42 HydrophobicContact CE1-CG2 4.5Å; F38-I42 HydrophobicContact CE2-CD1 4.5Å; F38-I42 HydrophobicContact CE2-CG2 3.31Å; F38-I42 HydrophobicContact CZ-CD1 3.88Å; F38-I42 HydrophobicContact CZ-CG1 4.5Å; F38-I42 HydrophobicContact CZ-CG2 3.68Å; F38-I42 PolarHBondContact O-N 2.79Å; F38-I42 VanDerWaalsContact O-N 3.16Å; F38-L52 HydrophobicContact CE1-CD1 3.53Å; F38-L52 HydrophobicContact CZ-CD1 3.9Å; F38-W55 HydrophobicContact CB-CH2 4.06Å; F38-W55 HydrophobicContact CB-CZ2 4.4Å; F38-W55 HydrophobicContact CD1-CE3 4.22Å; F38-W55 AromaticContact CD1-CH2 3.18Å; F38-W55 HydrophobicContact CD1-CH2 3.18Å; F38-W55 AromaticContact CD1-CZ2 3.69Å; F38-W55 HydrophobicContact CD1-CZ2 3.69Å; F38-W55 AromaticContact CD1-CZ3 3.46Å; F38-W55 HydrophobicContact CD1-CZ3 3.46Å; F38-W55 VanDerWaalsContact CD1-CZ3 3.46Å; F38-W55 HydrophobicContact CE1-CE3 4.2Å; F38-W55 AromaticContact CE1-CH2 3.93Å; F38-W55 HydrophobicContact CE1-CH2 3.93Å; F38-W55 AromaticContact CE1-CZ3 3.71Å; F38-W55 HydrophobicContact CE1-CZ3 3.71Å; F38-W55 AromaticContact CG-CH2 3.97Å; F38-W55 HydrophobicContact CG-CH2 3.97Å; F38-W55 HydrophobicContact CG-CZ3 4.49Å
39F86.5Confident83.9Confident24 Ų2457 Ų5711%0.10532%0.32CS..Hα-helixtrans-60.9-35.9179.1-179.8-102.8000111.9D35 A36 W55 Y56 M59 E60 K67D35-F39 VanDerWaalsContact O-CB 3.3Å; D35-F39 WeakPolarHBondContact O-CB 3.43Å; D35-F39 PolarHBondContact O-N 3.02Å; A36-F39 PolarHBondContact O-N 3.41Å; F39-W55 HydrophobicContact CB-CH2 3.84Å; F39-W55 HydrophobicContact CD2-CH2 4.47Å; F39-W55 HydrophobicContact CD2-CZ3 4.48Å; F39-Y56 AromaticContact CD2-CD2 3.65Å; F39-Y56 HydrophobicContact CD2-CD2 3.65Å; F39-Y56 AromaticContact CD2-CE2 3.64Å; F39-Y56 HydrophobicContact CD2-CE2 3.64Å; F39-Y56 HydrophobicContact CD2-CG 4.37Å; F39-Y56 HydrophobicContact CE2-CD1 4.26Å; F39-Y56 AromaticContact CE2-CD2 3.64Å; F39-Y56 HydrophobicContact CE2-CD2 3.64Å; F39-Y56 HydrophobicContact CE2-CE1 4.09Å; F39-Y56 AromaticContact CE2-CE2 3.44Å; F39-Y56 HydrophobicContact CE2-CE2 3.44Å; F39-Y56 VanDerWaalsContact CE2-CE2 3.44Å; F39-Y56 HydrophobicContact CE2-CG 4.06Å; F39-Y56 AromaticContact CE2-CZ 3.69Å; F39-Y56 WeakPolarHBondContact CE2-O 3.49Å; F39-Y56 HydrophobicContact CZ-CE2 4.28Å; F39-M59 HydrophobicContact CB-CB 4.2Å; F39-M59 HydrophobicContact CB-CG 4.47Å; F39-M59 HydrophobicContact CD2-CB 3.24Å; F39-M59 HydrophobicContact CD2-CG 4.17Å; F39-M59 HydrophobicContact CE2-CB 3.67Å; F39-M59 HydrophobicContact CG-CB 3.77Å; F39-E60 HydrophobicContact CE2-CB 4.1Å; F39-E60 HydrophobicContact CZ-CB 3.91Å; F39-E60 HydrophobicContact CZ-CG 4.44Å; F39-K67 VanDerWaalsContact CE1-NZ 3.27Å
40H84Confident84.1Confident109 Ų10952.2 Ų52.251%0.50531%0.309SS..Hα-helixtrans-74.2-24.5175.5-65.1132.9000114.3A36 F38 E64A36-H40 PolarHBondContact O-N 2.85Å; A36-H40 PolarHBondContact O-ND1 2.85Å; F38-H40 PolarHBondContact O-N 2.87Å; H40-E64 IonicContact CE1-OE2 3.9Å; H40-E64 IonicContact NE2-OE1 3.86Å; H40-E64 IonicContact NE2-OE2 3.56Å
41Q82.7Confident84.3Confident97 Ų9751.5 Ų51.545%0.45330%0.3SS..Hα-helixtrans-84.8-30.9-177.1-73.6175.460.300112.9D37 F38D37-Q41 WeakPolarHBondContact O-CG 3.4Å; D37-Q41 PolarHBondContact O-N 2.87Å; D37-Q41 PolarHBondContact O-NE2 3.35Å; D37-Q41 VanDerWaalsContact O-NE2 3.11Å; F38-Q41 PolarHBondContact O-N 2.81Å
42I82.3Confident84.4Confident15 Ų1549.9 Ų49.98%0.07729%0.289CS..  trans-98.1141.4-179.770.5165.9000112.1L13 F38 L52 W55 Y56L13-I42 HydrophobicContact CD2-CG2 4.21Å; F38-I42 HydrophobicContact CD1-CD1 4.44Å; F38-I42 HydrophobicContact CD2-CG2 3.9Å; F38-I42 HydrophobicContact CE1-CD1 3.84Å; F38-I42 HydrophobicContact CE1-CG2 4.5Å; F38-I42 HydrophobicContact CE2-CD1 4.5Å; F38-I42 HydrophobicContact CE2-CG2 3.31Å; F38-I42 HydrophobicContact CZ-CD1 3.88Å; F38-I42 HydrophobicContact CZ-CG1 4.5Å; F38-I42 HydrophobicContact CZ-CG2 3.68Å; F38-I42 PolarHBondContact O-N 2.79Å; F38-I42 VanDerWaalsContact O-N 3.16Å; I42-L52 HydrophobicContact CD1-CD1 3.88Å; I42-L52 HydrophobicContact CD1-CD2 4.39Å; I42-L52 HydrophobicContact CD1-CG 4.28Å; I42-W55 HydrophobicContact CD1-CZ3 3.85Å; I42-W55 HydrophobicContact CG1-CZ3 4.46Å; I42-Y56 HydrophobicContact CD1-CD2 3.85Å; I42-Y56 HydrophobicContact CD1-CE2 4.38Å; I42-Y56 HydrophobicContact CG1-CD2 3.94Å; I42-Y56 HydrophobicContact CG1-CE2 3.98Å
43S79.7Confident84.5Confident102 Ų10251.2 Ų51.271%0.71330%0.295SS*.  trans-85.7168.9164.3-165.70000110.2P45S43-P45 WeakPolarHBondContact O-CD 3.24Å
44T79.9Confident84.9Confident97 Ų9755.4 Ų55.460%0.59531%0.308SS*.SBendtrans-43.6113.8-178.2-52.50000111.3Y56T44-Y56 HydrophobicContact CG2-CE1 4.41Å
45P78.8Confident85.3Confident15 Ų1555.1 Ų55.110%0.09731%0.306CS..  trans-69.7145.2-174.627.5-35.6000111.4S43 L52 Q53 Y56S43-P45 WeakPolarHBondContact O-CD 3.24Å; P45-L52 HydrophobicContact CB-CD2 3.72Å; P45-L52 HydrophobicContact CB-CG 3.92Å; P45-L52 HydrophobicContact CG-CD2 4.42Å; P45-L52 HydrophobicContact CG-CG 4.08Å; P45-Q53 HydrophobicContact CG-CB 4.17Å; P45-Y56 HydrophobicContact CG-CG 4.15Å
46S79.1Confident85.4Confident84 Ų8456.5 Ų56.559%0.58731%0.311SS*.  trans-65.6154.9175.2-178.30000111.8A48 Y49S46-A48 PolarHBondContact O-N 3.1Å; S46-Y49 PolarHBondContact O-N 3.47Å; S46-Y49 VanDerWaalsContact O-N 3.12Å
47N80.8Confident85.5Confident128 Ų12862.8 Ų62.868%0.68433%0.333SS*.THydrogen-bonded Turntrans-59.1-7.3177.5-71.4-16000114.4Y49 Q53N47-Y49 PolarHBondContact O-N 2.9Å; N47-Q53 PolarHBondContact OD1-NE2 3.42Å
48A83.8Confident85.8Confident68 Ų6861.9 Ų61.956%0.56233%0.325SS*.THydrogen-bonded Turntrans-66.2-20.9172.400000113.7S46 P50S46-A48 PolarHBondContact O-N 3.1Å; A48-P50 WeakPolarHBondContact O-CD 3.46Å
49Y86.6Confident86Confident53 Ų5361.7 Ų61.721%0.20832%0.324CS..  trans-123.380.6-176.8-54.3-68.9000111L13 N17 S46 N47 H51 L52 Q53L13-Y49 HydrophobicContact CB-CE2 4.2Å; L13-Y49 HydrophobicContact CD1-CE2 4.39Å; N17-Y49 HydrophobicContact CB-CD1 3.97Å; N17-Y49 HydrophobicContact CB-CG 4.47Å; N17-Y49 VanDerWaalsContact OD1-C 3.27Å; N17-Y49 WeakPolarHBondContact OD1-CA 3.37Å; S46-Y49 PolarHBondContact O-N 3.47Å; S46-Y49 VanDerWaalsContact O-N 3.12Å; N47-Y49 PolarHBondContact O-N 2.9Å; Y49-H51 PolarHBondContact O-N 3.31Å; Y49-L52 PolarHBondContact O-N 3.29Å; Y49-Q53 WeakPolarHBondContact O-CB 3.33Å; Y49-Q53 PolarHBondContact O-N 3.35Å
50P89.4Confident86.1Confident70 Ų7066.5 Ų66.546%0.45535%0.347SS..Hα-helixtrans-65.5-36-171.424.9-34.4000113.8A48 Q53 R54A48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-Q53 PolarHBondContact O-N 3.06Å; P50-R54 WeakPolarHBondContact O-CB 3.09Å; P50-R54 PolarHBondContact O-N 3.3Å
51H90.1Very high86.4Confident47 Ų4765.2 Ų65.222%0.21835%0.35CS..Hα-helixtrans-72.5-39.1179.3-54.3-65.1000111.2N17 L20 Y49 Q53 R54 W55N17-H51 PolarHBondContact O-CD2 3.4Å; N17-H51 WeakPolarHBondContact OD1-CB 3.44Å; N17-H51 PolarHBondContact OD1-N 3.29Å; L20-H51 HydrophobicContact CB-CB 3.75Å; Y49-H51 PolarHBondContact O-N 3.31Å; H51-Q53 VanDerWaalsContact C-N 3.33Å; H51-R54 PolarHBondContact ND1-NH1 3.17Å; H51-R54 PolarHBondContact O-N 3.11Å; H51-W55 WeakPolarHBondContact O-CB 3.25Å; H51-W55 PolarHBondContact O-N 3.42Å
52L88.9Confident86.7Confident0 Ų062.6 Ų62.60%034%0.337CS..Hα-helixtrans-62.5-41.1171.9-175.564000111.5L13 V16 N17 L20 F38 I42 P45 Y49 W55 Y56L13-L52 HydrophobicContact CB-CD2 4.42Å; L13-L52 HydrophobicContact CD2-CD2 3.89Å; V16-L52 HydrophobicContact CG1-CD1 4Å; N17-L52 HydrophobicContact CB-CB 4.43Å; N17-L52 PolarHBondContact OD1-N 3.04Å; L20-L52 HydrophobicContact CD1-CB 4.38Å; L20-L52 HydrophobicContact CD1-CD1 3.98Å; F38-L52 HydrophobicContact CE1-CD1 3.53Å; F38-L52 HydrophobicContact CZ-CD1 3.9Å; I42-L52 HydrophobicContact CD1-CD1 3.88Å; I42-L52 HydrophobicContact CD1-CD2 4.39Å; I42-L52 HydrophobicContact CD1-CG 4.28Å; P45-L52 HydrophobicContact CB-CD2 3.72Å; P45-L52 HydrophobicContact CB-CG 3.92Å; P45-L52 HydrophobicContact CG-CD2 4.42Å; P45-L52 HydrophobicContact CG-CG 4.08Å; Y49-L52 PolarHBondContact O-N 3.29Å; L52-W55 HydrophobicContact CD1-CE3 4Å; L52-W55 HydrophobicContact CD1-CZ3 4.45Å; L52-W55 PolarHBondContact O-N 2.87Å; L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 3.14Å
53Q89.6Confident86.9Confident29 Ų2965 Ų6514%0.13635%0.353CS..Hα-helixtrans-66.2-41.4176.2-171.3-177.956.200112.5P45 N47 Y49 P50 H51 Y56 R57P45-Q53 HydrophobicContact CG-CB 4.17Å; N47-Q53 PolarHBondContact OD1-NE2 3.42Å; Y49-Q53 WeakPolarHBondContact O-CB 3.33Å; Y49-Q53 PolarHBondContact O-N 3.35Å; P50-Q53 PolarHBondContact O-N 3.06Å; H51-Q53 VanDerWaalsContact C-N 3.33Å; Q53-Y56 PolarHBondContact O-N 3.43Å; Q53-R57 VanDerWaalsContact CD-NH2 3.28Å; Q53-R57 VanDerWaalsContact NE2-NH2 3.17Å; Q53-R57 WeakPolarHBondContact O-CG 3.26Å; Q53-R57 PolarHBondContact O-N 2.75Å
54R92.1Very high87.1Confident112 Ų11265.5 Ų65.542%0.42334%0.344SS..Hα-helixtrans-57.7-50.4173.5-178.2-165.871.6-146.6-2.4110.5L20 Q23 P50 H51 H58L20-R54 PolarHBondContact O-NH2 3.3Å; Q23-R54 PolarHBondContact O-NH2 3.47Å; P50-R54 WeakPolarHBondContact O-CB 3.09Å; P50-R54 PolarHBondContact O-N 3.3Å; H51-R54 PolarHBondContact ND1-NH1 3.17Å; H51-R54 PolarHBondContact O-N 3.11Å; R54-H58 WeakPolarHBondContact O-CB 3.37Å; R54-H58 PolarHBondContact O-N 3.2Å; R54-H58 VanDerWaalsContact O-N 3.1Å
55W92.8Very high87.3Confident2 Ų268.7 Ų68.71%0.00835%0.352CS..Hα-helixtrans-61.7-43.3177.7173.190.7000111.8L20 I26 D35 F38 F39 I42 H51 L52 R57 H58 M59L20-W55 HydrophobicContact CD1-CB 3.63Å; L20-W55 HydrophobicContact CD1-CD2 4.31Å; L20-W55 HydrophobicContact CD1-CG 3.83Å; L20-W55 HydrophobicContact CD2-CB 4.12Å; L20-W55 HydrophobicContact CD2-CG 3.91Å; L20-W55 HydrophobicContact CG-CB 4.47Å; I26-W55 HydrophobicContact CD1-CZ2 4.02Å; I26-W55 HydrophobicContact CG1-CZ2 4.44Å; D35-W55 HydrophobicContact CB-CZ2 3.94Å; D35-W55 WeakPolarHBondContact O-CZ2 3.4Å; D35-W55 PolarHBondContact OD1-NE1 3.35Å; F38-W55 HydrophobicContact CB-CH2 4.06Å; F38-W55 HydrophobicContact CB-CZ2 4.4Å; F38-W55 HydrophobicContact CD1-CE3 4.22Å; F38-W55 AromaticContact CD1-CH2 3.18Å; F38-W55 HydrophobicContact CD1-CH2 3.18Å; F38-W55 AromaticContact CD1-CZ2 3.69Å; F38-W55 HydrophobicContact CD1-CZ2 3.69Å; F38-W55 AromaticContact CD1-CZ3 3.46Å; F38-W55 HydrophobicContact CD1-CZ3 3.46Å; F38-W55 VanDerWaalsContact CD1-CZ3 3.46Å; F38-W55 HydrophobicContact CE1-CE3 4.2Å; F38-W55 AromaticContact CE1-CH2 3.93Å; F38-W55 HydrophobicContact CE1-CH2 3.93Å; F38-W55 AromaticContact CE1-CZ3 3.71Å; F38-W55 HydrophobicContact CE1-CZ3 3.71Å; F38-W55 AromaticContact CG-CH2 3.97Å; F38-W55 HydrophobicContact CG-CH2 3.97Å; F38-W55 HydrophobicContact CG-CZ3 4.49Å; F39-W55 HydrophobicContact CB-CH2 3.84Å; F39-W55 HydrophobicContact CD2-CH2 4.47Å; F39-W55 HydrophobicContact CD2-CZ3 4.48Å; I42-W55 HydrophobicContact CD1-CZ3 3.85Å; I42-W55 HydrophobicContact CG1-CZ3 4.46Å; H51-W55 WeakPolarHBondContact O-CB 3.25Å; H51-W55 PolarHBondContact O-N 3.42Å; L52-W55 HydrophobicContact CD1-CE3 4Å; L52-W55 HydrophobicContact CD1-CZ3 4.45Å; L52-W55 PolarHBondContact O-N 2.87Å; W55-R57 PolarHBondContact O-N 2.83Å; W55-H58 CarbonylContact O-C 3.59Å; W55-H58 WeakPolarHBondContact O-CA 3.33Å; W55-H58 WeakPolarHBondContact O-CB 3.38Å; W55-H58 PolarHBondContact O-N 2.72Å; W55-H58 VanDerWaalsContact O-N 3.12Å; W55-M59 HydrophobicContact CD2-CG 3.9Å; W55-M59 VanDerWaalsContact CE2-CG 3.46Å; W55-M59 HydrophobicContact CE3-CG 4.3Å; W55-M59 HydrophobicContact CG-CG 4.46Å; W55-M59 HydrophobicContact CH2-CG 3.83Å; W55-M59 HydrophobicContact CZ2-CG 3.46Å; W55-M59 VanDerWaalsContact CZ2-CG 3.46Å; W55-M59 HydrophobicContact CZ2-SD 4.1Å; W55-M59 HydrophobicContact CZ3-CG 4.26Å; W55-M59 WeakPolarHBondContact O-CG 3.32Å; W55-M59 PolarHBondContact O-N 2.61Å
56Y89.9Confident87.6Confident28 Ų2872.3 Ų72.311%0.1137%0.368CS..Hα-helixtrans-62.7-45.3-179.6-172.6-93.4000112.4F39 I42 T44 P45 L52 Q53 H58 M59 E60F39-Y56 AromaticContact CD2-CD2 3.65Å; F39-Y56 HydrophobicContact CD2-CD2 3.65Å; F39-Y56 AromaticContact CD2-CE2 3.64Å; F39-Y56 HydrophobicContact CD2-CE2 3.64Å; F39-Y56 HydrophobicContact CD2-CG 4.37Å; F39-Y56 HydrophobicContact CE2-CD1 4.26Å; F39-Y56 AromaticContact CE2-CD2 3.64Å; F39-Y56 HydrophobicContact CE2-CD2 3.64Å; F39-Y56 HydrophobicContact CE2-CE1 4.09Å; F39-Y56 AromaticContact CE2-CE2 3.44Å; F39-Y56 HydrophobicContact CE2-CE2 3.44Å; F39-Y56 VanDerWaalsContact CE2-CE2 3.44Å; F39-Y56 HydrophobicContact CE2-CG 4.06Å; F39-Y56 AromaticContact CE2-CZ 3.69Å; F39-Y56 WeakPolarHBondContact CE2-O 3.49Å; F39-Y56 HydrophobicContact CZ-CE2 4.28Å; I42-Y56 HydrophobicContact CD1-CD2 3.85Å; I42-Y56 HydrophobicContact CD1-CE2 4.38Å; I42-Y56 HydrophobicContact CG1-CD2 3.94Å; I42-Y56 HydrophobicContact CG1-CE2 3.98Å; T44-Y56 HydrophobicContact CG2-CE1 4.41Å; P45-Y56 HydrophobicContact CG-CG 4.15Å; L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 3.14Å; Q53-Y56 PolarHBondContact O-N 3.43Å; Y56-H58 VanDerWaalsContact C-N 3.26Å; Y56-H58 PolarHBondContact O-N 2.9Å; Y56-M59 PolarHBondContact O-N 3Å; Y56-E60 WeakPolarHBondContact O-CB 3.46Å; Y56-E60 PolarHBondContact O-N 3.16Å
57R90.4Very high87.9Confident143 Ų14369 Ų6954%0.5434%0.343SS..Hα-helixtrans-62-36.4174.3-71.9-177.1-177.1130.74.4112.2Q53 W55 S61Q53-R57 VanDerWaalsContact CD-NH2 3.28Å; Q53-R57 VanDerWaalsContact NE2-NH2 3.17Å; Q53-R57 WeakPolarHBondContact O-CG 3.26Å; Q53-R57 PolarHBondContact O-N 2.75Å; W55-R57 PolarHBondContact O-N 2.83Å; R57-S61 PolarHBondContact O-N 2.84Å
58H90.4Very high87.9Confident73 Ų7367.1 Ų67.134%0.33835%0.345SS..Hα-helixtrans-65.6-43.6175.6-170.357.1000110.9Y25 R54 W55 Y56 S61 F62Y25-H58 AromaticContact CE1-CD2 3.73Å; Y25-H58 AromaticContact CE1-NE2 3.82Å; Y25-H58 AromaticContact CZ-CD2 3.94Å; Y25-H58 AromaticContact CZ-NE2 3.62Å; Y25-H58 PolarHBondContact OH-NE2 3.26Å; R54-H58 WeakPolarHBondContact O-CB 3.37Å; R54-H58 PolarHBondContact O-N 3.2Å; R54-H58 VanDerWaalsContact O-N 3.1Å; W55-H58 CarbonylContact O-C 3.59Å; W55-H58 WeakPolarHBondContact O-CA 3.33Å; W55-H58 WeakPolarHBondContact O-CB 3.38Å; W55-H58 PolarHBondContact O-N 2.72Å; W55-H58 VanDerWaalsContact O-N 3.12Å; Y56-H58 VanDerWaalsContact C-N 3.26Å; Y56-H58 PolarHBondContact O-N 2.9Å; H58-S61 WeakPolarHBondContact O-CB 3.4Å; H58-S61 PolarHBondContact O-N 2.92Å; H58-S61 PolarHBondContact O-OG 2.87Å; H58-F62 AromaticContact CD2-CE2 3.74Å; H58-F62 AromaticContact CE1-CE2 3.71Å; H58-F62 AromaticContact CE1-CZ 3.77Å; H58-F62 AromaticContact NE2-CE2 3.42Å; H58-F62 WeakPolarHBondContact NE2-CE2 3.46Å; H58-F62 AromaticContact NE2-CZ 3.6Å; H58-F62 WeakPolarHBondContact O-CD2 3.42Å; H58-F62 WeakPolarHBondContact O-CE2 3.35Å
59M88.7Confident88.1Confident0 Ų067.8 Ų67.80%035%0.351CS..Hα-helixtrans-66.9-33.7176.1-69.6-61.194.500114.1Y25 D35 F39 W55 Y56 S61 F62 K67 W70Y25-M59 HydrophobicContact CD1-CE 3.89Å; Y25-M59 HydrophobicContact CE1-CE 3.45Å; Y25-M59 VanDerWaalsContact CE1-CE 3.45Å; D35-M59 HydrophobicContact CB-SD 3.85Å; F39-M59 HydrophobicContact CB-CB 4.2Å; F39-M59 HydrophobicContact CB-CG 4.47Å; F39-M59 HydrophobicContact CD2-CB 3.24Å; F39-M59 HydrophobicContact CD2-CG 4.17Å; F39-M59 HydrophobicContact CE2-CB 3.67Å; F39-M59 HydrophobicContact CG-CB 3.77Å; W55-M59 HydrophobicContact CD2-CG 3.9Å; W55-M59 VanDerWaalsContact CE2-CG 3.46Å; W55-M59 HydrophobicContact CE3-CG 4.3Å; W55-M59 HydrophobicContact CG-CG 4.46Å; W55-M59 HydrophobicContact CH2-CG 3.83Å; W55-M59 HydrophobicContact CZ2-CG 3.46Å; W55-M59 VanDerWaalsContact CZ2-CG 3.46Å; W55-M59 HydrophobicContact CZ2-SD 4.1Å; W55-M59 HydrophobicContact CZ3-CG 4.26Å; W55-M59 WeakPolarHBondContact O-CG 3.32Å; W55-M59 PolarHBondContact O-N 2.61Å; Y56-M59 PolarHBondContact O-N 3Å; M59-S61 PolarHBondContact O-N 2.96Å; M59-F62 HydrophobicContact CE-CD2 3.74Å; M59-F62 HydrophobicContact CE-CE2 3.52Å; M59-F62 PolarHBondContact O-N 3Å; M59-K67 VanDerWaalsContact O-CE 3.24Å; M59-K67 WeakPolarHBondContact O-CE 3.47Å; M59-W70 HydrophobicContact CE-CH2 3.86Å; M59-W70 HydrophobicContact CE-CZ3 4.5Å; M59-W70 HydrophobicContact SD-CH2 3.57Å; M59-W70 VanDerWaalsContact SD-CH2 3.57Å; M59-W70 HydrophobicContact SD-CZ3 3.77Å
60E88.7Confident88.1Confident124 Ų12467 Ų6758%0.57935%0.347SS*.Hα-helixtrans-66.1-25.9174.1-171.8177.1-140.600112.2F39 Y56 F62F39-E60 HydrophobicContact CE2-CB 4.1Å; F39-E60 HydrophobicContact CZ-CB 3.91Å; F39-E60 HydrophobicContact CZ-CG 4.44Å; Y56-E60 WeakPolarHBondContact O-CB 3.46Å; Y56-E60 PolarHBondContact O-N 3.16Å; E60-F62 VanDerWaalsContact C-N 3.3Å; E60-F62 PolarHBondContact O-N 3.23Å
61S89.8Confident87.7Confident82 Ų8269.9 Ų69.957%0.57336%0.355SS*.THydrogen-bonded Turntrans-73.7-19.2179.979.10000114.3R57 H58 M59R57-S61 PolarHBondContact O-N 2.84Å; H58-S61 WeakPolarHBondContact O-CB 3.4Å; H58-S61 PolarHBondContact O-N 2.92Å; H58-S61 PolarHBondContact O-OG 2.87Å; M59-S61 PolarHBondContact O-N 2.96Å
62F89.3Confident87Confident42 Ų4277.1 Ų77.118%0.18439%0.386CS..SBendtrans-86.9142.2179.7-67.2-78000111.9H58 M59 E60 E66 K67 W70H58-F62 AromaticContact CD2-CE2 3.74Å; H58-F62 AromaticContact CE1-CE2 3.71Å; H58-F62 AromaticContact CE1-CZ 3.77Å; H58-F62 AromaticContact NE2-CE2 3.42Å; H58-F62 WeakPolarHBondContact NE2-CE2 3.46Å; H58-F62 AromaticContact NE2-CZ 3.6Å; H58-F62 WeakPolarHBondContact O-CD2 3.42Å; H58-F62 WeakPolarHBondContact O-CE2 3.35Å; M59-F62 HydrophobicContact CE-CD2 3.74Å; M59-F62 HydrophobicContact CE-CE2 3.52Å; M59-F62 PolarHBondContact O-N 3Å; E60-F62 VanDerWaalsContact C-N 3.3Å; E60-F62 PolarHBondContact O-N 3.23Å; F62-E66 WeakPolarHBondContact CA-OE2 3.19Å; F62-E66 HydrophobicContact CD1-CB 4.4Å; F62-K67 HydrophobicContact CB-CG 4.18Å; F62-K67 WeakPolarHBondContact O-CE 3.32Å; F62-W70 HydrophobicContact CB-CH2 4.17Å; F62-W70 HydrophobicContact CB-CZ2 3.94Å; F62-W70 AromaticContact CD1-CZ2 3.82Å; F62-W70 HydrophobicContact CD1-CZ2 3.82Å; F62-W70 AromaticContact CD2-CH2 3.82Å; F62-W70 HydrophobicContact CD2-CH2 3.82Å; F62-W70 AromaticContact CD2-CZ2 3.7Å; F62-W70 HydrophobicContact CD2-CZ2 3.7Å; F62-W70 HydrophobicContact CE1-CZ2 4.2Å; F62-W70 HydrophobicContact CE2-CH2 4.38Å; F62-W70 HydrophobicContact CE2-CZ2 4.11Å; F62-W70 AromaticContact CG-CH2 3.99Å; F62-W70 HydrophobicContact CG-CH2 3.99Å; F62-W70 AromaticContact CG-CZ2 3.54Å; F62-W70 HydrophobicContact CG-CZ2 3.54Å; F62-W70 HydrophobicContact CZ-CZ2 4.34Å
63T86.8Confident86Confident67 Ų6777.7 Ų77.741%0.41139%0.389SS..  trans-74.2157.1173.172.80000111E65 E66 K67T63-E65 PolarHBondContact O-N 3.32Å; T63-E66 PolarHBondContact N-OE2 2.84Å; T63-E66 PolarHBondContact O-N 2.78Å; T63-E66 VanDerWaalsContact O-N 3.14Å; T63-E66 WeakPolarHBondContact OG1-CG 3.48Å; T63-E66 PolarHBondContact OG1-N 2.86Å; T63-E66 PolarHBondContact OG1-OE2 3.11Å; T63-K67 WeakPolarHBondContact O-CG 3.42Å; T63-K67 PolarHBondContact O-N 3.07Å
64E83.9Confident84.7Confident112 Ų11280.1 Ų80.152%0.52341%0.407SS..Hα-helixtrans-60.3-28.5176.1-65.4-62.4116.900112.5H40 K67 A68H40-E64 IonicContact CE1-OE2 3.9Å; H40-E64 IonicContact NE2-OE1 3.86Å; H40-E64 IonicContact NE2-OE2 3.56Å; E64-K67 IonicContact OE1-NZ 3.47Å; E64-K67 PolarHBondContact OE1-NZ 2.59Å; E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.85Å
65E83.3Confident82.9Confident164 Ų16478.5 Ų78.577%0.76641%0.409SS*.Hα-helixtrans-68.5-41.2176.1-60.7168.4157.300111.5T63 A68 A69T63-E65 PolarHBondContact O-N 3.32Å; E65-A68 PolarHBondContact O-N 2.88Å; E65-A69 PolarHBondContact O-N 3.45Å
66E85.5Confident81Confident91 Ų9180.2 Ų80.243%0.42543%0.427SS..Hα-helixtrans-67.8-42.9175.6-69.2173.9131.800111.2F62 T63 A68 A69 W70F62-E66 WeakPolarHBondContact CA-OE2 3.19Å; F62-E66 HydrophobicContact CD1-CB 4.4Å; T63-E66 PolarHBondContact N-OE2 2.84Å; T63-E66 PolarHBondContact O-N 2.78Å; T63-E66 VanDerWaalsContact O-N 3.14Å; T63-E66 WeakPolarHBondContact OG1-CG 3.48Å; T63-E66 PolarHBondContact OG1-N 2.86Å; T63-E66 PolarHBondContact OG1-OE2 3.11Å; E66-A68 VanDerWaalsContact C-N 3.27Å; E66-A68 PolarHBondContact O-N 2.82Å; E66-A69 WeakPolarHBondContact O-CB 3.38Å; E66-A69 PolarHBondContact O-N 2.8Å; E66-W70 PolarHBondContact O-N 3.48Å; E66-W70 PolarHBondContact O-NE1 3.1Å
67K84.3Confident79Confident14 Ų1484.5 Ų84.56%0.06145%0.448CS..Hα-helixtrans-60.1-38.2176.2-67176.4-167.7168.90112.1A36 F39 M59 F62 T63 E64 A69 W70A36-K67 HydrophobicContact CB-CB 4.22Å; F39-K67 VanDerWaalsContact CE1-NZ 3.27Å; M59-K67 VanDerWaalsContact O-CE 3.24Å; M59-K67 WeakPolarHBondContact O-CE 3.47Å; F62-K67 HydrophobicContact CB-CG 4.18Å; F62-K67 WeakPolarHBondContact O-CE 3.32Å; T63-K67 WeakPolarHBondContact O-CG 3.42Å; T63-K67 PolarHBondContact O-N 3.07Å; E64-K67 IonicContact OE1-NZ 3.47Å; E64-K67 PolarHBondContact OE1-NZ 2.59Å; K67-A69 VanDerWaalsContact C-N 3.26Å; K67-A69 PolarHBondContact O-N 2.75Å; K67-W70 HydrophobicContact CB-CE3 4.29Å; K67-W70 HydrophobicContact CB-CH2 4.41Å; K67-W70 HydrophobicContact CB-CZ3 4.2Å; K67-W70 HydrophobicContact CG-CE3 4.34Å; K67-W70 HydrophobicContact CG-CH2 3.62Å; K67-W70 HydrophobicContact CG-CZ2 4.07Å; K67-W70 HydrophobicContact CG-CZ3 3.77Å; K67-W70 PolarHBondContact O-N 2.97Å
68A81.8Confident77.1Confident88 Ų8886.4 Ų86.473%0.72746%0.455SS*.Hα-helixtrans-70.6-20.6177.200000113.6E64 E65 E66E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.85Å; E65-A68 PolarHBondContact O-N 2.88Å; E66-A68 VanDerWaalsContact C-N 3.27Å; E66-A68 PolarHBondContact O-N 2.82Å
69A87.6Confident75Confident83 Ų8385 Ų8569%0.68645%0.452SS*.THydrogen-bonded Turntrans-85.8-9.8178.300000113.7E65 E66 K67E65-A69 PolarHBondContact O-N 3.45Å; E66-A69 WeakPolarHBondContact O-CB 3.38Å; E66-A69 PolarHBondContact O-N 2.8Å; K67-A69 VanDerWaalsContact C-N 3.26Å; K67-A69 PolarHBondContact O-N 2.75Å
70W86.4Confident72.8Confident35 Ų3591 Ų9113%0.13348%0.484CS..SBendtrans-69151.1-179.4-63-18.6000112.9P31 D35 A36 M59 F62 E66 K67 K72P31-W70 HydrophobicContact CB-CD2 3.71Å; P31-W70 HydrophobicContact CB-CE3 4.02Å; P31-W70 HydrophobicContact CB-CG 4.17Å; P31-W70 HydrophobicContact CB-CH2 4.2Å; P31-W70 HydrophobicContact CB-CZ2 3.91Å; P31-W70 HydrophobicContact CB-CZ3 4.25Å; P31-W70 HydrophobicContact CG-CD2 4.25Å; P31-W70 HydrophobicContact CG-CG 4.35Å; P31-W70 HydrophobicContact CG-CZ2 4.39Å; D35-W70 HydrophobicContact CB-CZ3 4.35Å; A36-W70 HydrophobicContact CB-CE3 4.06Å; A36-W70 HydrophobicContact CB-CZ3 4.03Å; M59-W70 HydrophobicContact CE-CH2 3.86Å; M59-W70 HydrophobicContact CE-CZ3 4.5Å; M59-W70 HydrophobicContact SD-CH2 3.57Å; M59-W70 VanDerWaalsContact SD-CH2 3.57Å; M59-W70 HydrophobicContact SD-CZ3 3.77Å; F62-W70 HydrophobicContact CB-CH2 4.17Å; F62-W70 HydrophobicContact CB-CZ2 3.94Å; F62-W70 AromaticContact CD1-CZ2 3.82Å; F62-W70 HydrophobicContact CD1-CZ2 3.82Å; F62-W70 AromaticContact CD2-CH2 3.82Å; F62-W70 HydrophobicContact CD2-CH2 3.82Å; F62-W70 AromaticContact CD2-CZ2 3.7Å; F62-W70 HydrophobicContact CD2-CZ2 3.7Å; F62-W70 HydrophobicContact CE1-CZ2 4.2Å; F62-W70 HydrophobicContact CE2-CH2 4.38Å; F62-W70 HydrophobicContact CE2-CZ2 4.11Å; F62-W70 AromaticContact CG-CH2 3.99Å; F62-W70 HydrophobicContact CG-CH2 3.99Å; F62-W70 AromaticContact CG-CZ2 3.54Å; F62-W70 HydrophobicContact CG-CZ2 3.54Å; F62-W70 HydrophobicContact CZ-CZ2 4.34Å; E66-W70 PolarHBondContact O-N 3.48Å; E66-W70 PolarHBondContact O-NE1 3.1Å; K67-W70 HydrophobicContact CB-CE3 4.29Å; K67-W70 HydrophobicContact CB-CH2 4.41Å; K67-W70 HydrophobicContact CB-CZ3 4.2Å; K67-W70 HydrophobicContact CG-CE3 4.34Å; K67-W70 HydrophobicContact CG-CH2 3.62Å; K67-W70 HydrophobicContact CG-CZ2 4.07Å; K67-W70 HydrophobicContact CG-CZ3 3.77Å; K67-W70 PolarHBondContact O-N 2.97Å; W70-K72 PolarHBondContact O-N 2.95Å
71E81.4Confident70.7Confident132 Ų13289 Ų8962%0.61749%0.489SS*.BIsolated β-bridgetrans-60.8130.2-179.5-67.7-171.4151.200110.5S33 C73S33-E71 PolarHBondContact N-O 3.49Å; E71-C73 PolarHBondContact O-N 3Å; E71-C73 VanDerWaalsContact O-N 3.15Å
72K76.3Confident68.1Low199 Ų19994.6 Ų94.687%0.86550%0.503SS*.  trans-70.8110.9175.4-69.1-175.9-179.7-179.50108.4S33 W70S33-K72 WeakPolarHBondContact OG-CA 3.4Å; W70-K72 PolarHBondContact O-N 2.95Å
73C66.5Low65.4Low11 Ų1197.3 Ų97.37%0.07453%0.533CS..  trans-122.5143.5178.7-166.80000109.2N27 T32 S33 V34 E71 E77 T79N27-C73 PolarHBondContact ND2-SG 3.14Å; T32-C73 HydrophobicContact CG2-CB 4Å; S33-C73 PolarHBondContact OG-N 3.18Å; S33-C73 PolarHBondContact OG-O 3.34Å; V34-C73 HydrophobicContact CG2-CB 4.37Å; V34-C73 WeakPolarHBondContact CG2-O 3.14Å; E71-C73 PolarHBondContact O-N 3Å; E71-C73 VanDerWaalsContact O-N 3.15Å; C73-E77 PolarHBondContact SG-O 2.75Å; C73-T79 HydrophobicContact CB-CG2 4.3Å
74T62.6Low62.9Low81 Ų8198.2 Ų98.250%0.49755%0.547SS..  trans-85.4152.6169.667.60000110.1N27 G76 E77N27-T74 PolarHBondContact ND2-O 2.85Å; T74-G76 PolarHBondContact O-N 2.73Å; T74-E77 PolarHBondContact O-N 3.09Å; T74-E77 PolarHBondContact OG1-OE2 2.89Å
75V54.6Low60.7Low78 Ų7898.9 Ų98.947%0.47356%0.561SS.*THydrogen-bonded Turntrans-62.3102.7172.81760000108.3L4 V34L4-V75 HydrophobicContact CB-CG1 4.04Å; L4-V75 HydrophobicContact CD1-CG1 3.52Å; L4-V75 HydrophobicContact CG-CG1 4.41Å; V34-V75 HydrophobicContact CB-CG2 4.5Å; V34-V75 HydrophobicContact CG1-CG2 3.63Å; V34-V75 HydrophobicContact CG2-CG2 4.03Å
76G53.4Low58.5Low37 Ų3798.1 Ų98.138%0.38156%0.563SS.*THydrogen-bonded Turntrans117.9-16.7179.600000115.2T74 R78T74-G76 PolarHBondContact O-N 2.73Å; G76-R78 PolarHBondContact O-N 2.7Å
77E46.8Very low56.5Low119 Ų119100.9 Ų100.956%0.55658%0.58SS**  trans-73.5107.7159.6-100.3162.594.300107N27 C73 T74 T79N27-E77 PolarHBondContact ND2-O 2.83Å; C73-E77 PolarHBondContact SG-O 2.75Å; T74-E77 PolarHBondContact O-N 3.09Å; T74-E77 PolarHBondContact OG1-OE2 2.89Å; E77-T79 PolarHBondContact O-N 3.47Å
78R50.8Low54.6Low182 Ų182108.4 Ų108.469%0.68762%0.615SS**  trans-69.3114.9163.4-82178.4158.1175.1-9.6106.4G76 D80G76-R78 PolarHBondContact O-N 2.7Å; R78-D80 WeakPolarHBondContact CB-OD2 3.35Å; R78-D80 PolarHBondContact O-N 2.98Å
79T45.5Very low52.8Low44 Ų44111.7 Ų111.727%0.2762%0.621SS.*  trans-76.474.2160.944.60000107.7C73 E77 A81C73-T79 HydrophobicContact CB-CG2 4.3Å; E77-T79 PolarHBondContact O-N 3.47Å; T79-A81 PolarHBondContact O-N 3.47Å
80D44.2Very low50.9Low126 Ų126114.1 Ų114.167%0.67462%0.621SS**  trans-60.399155.3-73.3-71000105.5R78 K82R78-D80 WeakPolarHBondContact CB-OD2 3.35Å; R78-D80 PolarHBondContact O-N 2.98Å; D80-K82 PolarHBondContact O-N 2.77Å
81A43.2Very low49.7Very low82 Ų82117.7 Ų117.768%0.67864%0.643SS**SBendtrans-56.4103.4179.700000108.8T79T79-A81 PolarHBondContact O-N 3.47Å
82K35.6Very low48.4Very low199 Ų199118.3 Ų118.387%0.86565%0.65SS**  trans74.290.2175.3-62.4177.2177.31700116.3D80 A84D80-K82 PolarHBondContact O-N 2.77Å; K82-A84 PolarHBondContact O-N 2.82Å
83A33Very low47.4Very low100 Ų100118.2 Ų118.283%0.82665%0.649SS**  trans-59.8106.5142.900000109.8
84A35.2Very low46.4Very low86 Ų86119.5 Ų119.571%0.71166%0.664SS**  trans-74.9147.314600000107.5K82K82-A84 PolarHBondContact O-N 2.82Å
85P37Very low45.3Very low125 Ų125122.8 Ų122.881%0.81268%0.679SS**SBendtrans-75.7136.2-159.830.6-33.4000112.7
86D36.2Very low44.7Very low149 Ų149124.4 Ų124.480%0.79769%0.694SS**  trans53.386.6144.2-133.225.3000117.3
87D43.4Very low44.3Very low149 Ų149126 Ų12680%0.79770%0.7SS**  trans-135.8122.3142.8-141.9-13.5000108.7
88E44.3Very low44.4Very low171 Ų171128.5 Ų128.580%0.79971%0.711SS**  trans-68132.9-175.4-61-176.5143.400109.7
89D44.1Very low44.5Very low157 Ų157127.6 Ų127.684%0.8472%0.715SS**  trans79.548160-134.810.5000119.3D91D89-D91 VanDerWaalsContact C-N 3.32Å; D89-D91 PolarHBondContact O-N 3.16Å
90I48.5Very low44.7Very low135 Ų135132.8 Ų132.869%0.69274%0.736SS**  trans-75.886164.1-54-176.1000110.2L92I90-L92 HydrophobicContact CG2-CD1 4.21Å; I90-L92 HydrophobicContact CG2-CG 3.83Å; I90-L92 PolarHBondContact O-N 3.34Å; I90-L92 VanDerWaalsContact O-N 3.09Å
91D61Low44.9Very low109 Ų109131.3 Ų131.358%0.58373%0.726SS**  trans-69.491.2158.8-174.32000110D89 F93 G94D89-D91 VanDerWaalsContact C-N 3.32Å; D89-D91 PolarHBondContact O-N 3.16Å; D91-F93 PolarHBondContact O-N 2.78Å; D91-F93 VanDerWaalsContact O-N 3.09Å; D91-F93 PolarHBondContact OD1-N 3.08Å; D91-F93 VanDerWaalsContact OD1-N 3.12Å; D91-G94 PolarHBondContact O-N 3.44Å; D91-G94 PolarHBondContact OD1-N 2.79Å; D91-G94 WeakPolarHBondContact OD2-CA 3.42Å; D91-G94 PolarHBondContact OD2-N 2.8Å
92L54.9Low45.7Very low146 Ų146132.3 Ų132.376%0.76472%0.72SS**THydrogen-bonded Turntrans-63.5-7.2178-86.1136.8000114.7I90I90-L92 HydrophobicContact CG2-CD1 4.21Å; I90-L92 HydrophobicContact CG2-CG 3.83Å; I90-L92 PolarHBondContact O-N 3.34Å; I90-L92 VanDerWaalsContact O-N 3.09Å
93F54.1Low47.2Very low196 Ų196129 Ų12986%0.8671%0.708SS**THydrogen-bonded Turntrans-129.910.1179.6-77.9-90000113.2D91 D95D91-F93 PolarHBondContact O-N 2.78Å; D91-F93 VanDerWaalsContact O-N 3.09Å; D91-F93 PolarHBondContact OD1-N 3.08Å; D91-F93 VanDerWaalsContact OD1-N 3.12Å; F93-D95 PolarHBondContact O-N 3.31Å; F93-D95 VanDerWaalsContact O-N 3.1Å
94G45.6Very low48.9Very low38 Ų38129.5 Ų129.539%0.39269%0.693SS.*  trans-74.796.4174.800000110.5D91 S96D91-G94 PolarHBondContact O-N 3.44Å; D91-G94 PolarHBondContact OD1-N 2.79Å; D91-G94 WeakPolarHBondContact OD2-CA 3.42Å; D91-G94 PolarHBondContact OD2-N 2.8Å; G94-S96 PolarHBondContact O-N 3.1Å
95D40.3Very low50.5Low150 Ų150130.1 Ų130.180%0.80268%0.68SS**  trans-51.795.3163174.615.8000110.1F93F93-D95 PolarHBondContact O-N 3.31Å; F93-D95 VanDerWaalsContact O-N 3.1Å
96S41.5Very low52.3Low113 Ų113129.6 Ų129.679%0.7967%0.666SS**  trans-145.998.7165.1-77.60000109.7G94G94-S96 PolarHBondContact O-N 3.1Å
97S44.7Very low54Low71 Ų71130 Ų13050%0.49766%0.657SS.*  trans69.589.1165.6-1440000116.8E99 E100S97-E99 PolarHBondContact O-N 2.88Å; S97-E100 PolarHBondContact O-N 3.47Å
98E48.5Very low55.6Low170 Ų170126.2 Ų126.279%0.79464%0.636SS**THydrogen-bonded Turntrans-50-11.9168.8-108.8166.9163.800115.6
99E53.2Low57.2Low164 Ų164124.6 Ų124.677%0.76663%0.626SS**THydrogen-bonded Turntrans-82.3-31.8-178.7-68.7-174.817200113.8S97S97-E99 PolarHBondContact O-N 2.88Å
100E50.5Low58.7Low152 Ų152122.4 Ų122.471%0.7161%0.611SS**Hα-helixtrans-83-20.2-178.8-67.6-169170.100113S97S97-E100 PolarHBondContact O-N 3.47Å
101M48.2Very low60Low95 Ų95122.4 Ų122.447%0.46861%0.608SS.*Hα-helixtrans-75.1-22.7179.7-85.8-147.6-72.300114.3K105M101-K105 VanDerWaalsContact O-CB 3.29Å; M101-K105 WeakPolarHBondContact O-CB 3.13Å; M101-K105 WeakPolarHBondContact O-CD 3.15Å; M101-K105 WeakPolarHBondContact O-CG 3.49Å; M101-K105 PolarHBondContact O-N 2.83Å; M101-K105 VanDerWaalsContact O-N 3.09Å
102D60.6Low60.9Low103 Ų103125.3 Ų125.355%0.55161%0.61SS**Hα-helixtrans-71.6-39.6-179.9-117.35.6000110.5K105 E106D102-K105 PolarHBondContact O-N 3.41Å; D102-E106 WeakPolarHBondContact O-CB 3.21Å; D102-E106 VanDerWaalsContact O-CG 3.29Å; D102-E106 WeakPolarHBondContact O-CG 3.35Å; D102-E106 PolarHBondContact O-N 3.45Å
103E67Low61.9Low131 Ų131123.6 Ų123.661%0.61260%0.602SS**Hα-helixtrans-66.5-41.5177.8-61-172.511600112.3E106 R107E103-E106 PolarHBondContact O-N 3.5Å; E103-R107 WeakPolarHBondContact O-CB 3.36Å; E103-R107 VanDerWaalsContact O-CG 3.3Å; E103-R107 WeakPolarHBondContact O-CG 3.28Å; E103-R107 PolarHBondContact O-N 3.29Å
104E67.7Low63Low110 Ų110119.5 Ų119.551%0.51458%0.583SS.*Hα-helixtrans-70-40.5178.3-167.6176-161.600111.9E106 R107 I108E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 2.96Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-I108 HydrophobicContact CG-CD1 4.11Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.35Å; E104-I108 PolarHBondContact O-N 2.81Å
105K69.3Low64.3Low99 Ų99119.9 Ų119.943%0.4358%0.582SS.*Hα-helixtrans-63.2-39.4173.4-73.6170.2-169.8166.60111.4M101 D102 K109M101-K105 VanDerWaalsContact O-CB 3.29Å; M101-K105 WeakPolarHBondContact O-CB 3.13Å; M101-K105 WeakPolarHBondContact O-CD 3.15Å; M101-K105 WeakPolarHBondContact O-CG 3.49Å; M101-K105 PolarHBondContact O-N 2.83Å; M101-K105 VanDerWaalsContact O-N 3.09Å; D102-K105 PolarHBondContact O-N 3.41Å; K105-K109 WeakPolarHBondContact O-CB 3.3Å; K105-K109 VanDerWaalsContact O-CG 3.23Å; K105-K109 WeakPolarHBondContact O-CG 3.21Å; K105-K109 PolarHBondContact O-N 3.38Å
106E73.6Confident65.7Low114 Ų114120.6 Ų120.653%0.53358%0.575SS.*Hα-helixtrans-66.7-39.9174.3-76.4-166.4107.500112.2D102 E103 E104 K109 Q110D102-E106 WeakPolarHBondContact O-CB 3.21Å; D102-E106 VanDerWaalsContact O-CG 3.29Å; D102-E106 WeakPolarHBondContact O-CG 3.35Å; D102-E106 PolarHBondContact O-N 3.45Å; E103-E106 PolarHBondContact O-N 3.5Å; E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 2.96Å; E106-K109 PolarHBondContact O-N 2.83Å; E106-Q110 WeakPolarHBondContact O-CB 3.47Å; E106-Q110 WeakPolarHBondContact O-CG 3.15Å; E106-Q110 PolarHBondContact O-N 2.81Å
107R73.9Confident67.1Low158 Ų158121 Ų12160%0.59657%0.565SS**Hα-helixtrans-62.1-45.6173.6-78.5179.158.9-122.8-9.2112.4E103 E104 K109 Q110 E111E103-R107 WeakPolarHBondContact O-CB 3.36Å; E103-R107 VanDerWaalsContact O-CG 3.3Å; E103-R107 WeakPolarHBondContact O-CG 3.28Å; E103-R107 PolarHBondContact O-N 3.29Å; E104-R107 PolarHBondContact O-N 3.41Å; R107-K109 VanDerWaalsContact C-N 3.32Å; R107-K109 PolarHBondContact O-N 3.31Å; R107-Q110 PolarHBondContact O-N 3.49Å; R107-E111 WeakPolarHBondContact O-CB 3.35Å; R107-E111 PolarHBondContact O-N 2.93Å
108I75.4Confident68.2Low69 Ų69123.2 Ų123.235%0.35457%0.569SS.*Hα-helixtrans-64.5-38.8177-65.9164.5000110.4E104 E111 R112E104-I108 HydrophobicContact CG-CD1 4.11Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.35Å; E104-I108 PolarHBondContact O-N 2.81Å; I108-E111 PolarHBondContact O-N 2.84Å; I108-R112 WeakPolarHBondContact O-CB 3.46Å; I108-R112 VanDerWaalsContact O-CG 3.23Å; I108-R112 WeakPolarHBondContact O-CG 3.08Å; I108-R112 PolarHBondContact O-N 3.21Å
109K78.7Confident69Low136 Ų136121.9 Ų121.959%0.59156%0.56SS**Hα-helixtrans-62.8-45.4172.9-75.7170.2-172168.80111.2K105 E106 R107 R112 L113K105-K109 WeakPolarHBondContact O-CB 3.3Å; K105-K109 VanDerWaalsContact O-CG 3.23Å; K105-K109 WeakPolarHBondContact O-CG 3.21Å; K105-K109 PolarHBondContact O-N 3.38Å; E106-K109 PolarHBondContact O-N 2.83Å; R107-K109 VanDerWaalsContact C-N 3.32Å; R107-K109 PolarHBondContact O-N 3.31Å; K109-R112 PolarHBondContact O-N 3.46Å; K109-L113 WeakPolarHBondContact O-CB 3.23Å; K109-L113 PolarHBondContact O-N 2.97Å
110Q74.6Confident69.5Low112 Ų112122.1 Ų122.152%0.52356%0.559SS.*Hα-helixtrans-64.4-40.6177.4-77.5-1692.800112.2E106 R107 L113 K114E106-Q110 WeakPolarHBondContact O-CB 3.47Å; E106-Q110 WeakPolarHBondContact O-CG 3.15Å; E106-Q110 PolarHBondContact O-N 2.81Å; R107-Q110 PolarHBondContact O-N 3.49Å; Q110-L113 PolarHBondContact O-N 2.82Å; Q110-K114 WeakPolarHBondContact O-CB 3.21Å; Q110-K114 VanDerWaalsContact O-CG 3.26Å; Q110-K114 WeakPolarHBondContact O-CG 3.22Å; Q110-K114 PolarHBondContact O-N 3.28Å
111E76.6Confident69.8Low134 Ų134118.7 Ų118.763%0.62656%0.556SS**Hα-helixtrans-65.8-42.1176.7-171.2177.4-176.100111.1R107 I108 L113 K114 A115R107-E111 WeakPolarHBondContact O-CB 3.35Å; R107-E111 PolarHBondContact O-N 2.93Å; I108-E111 PolarHBondContact O-N 2.84Å; E111-L113 PolarHBondContact O-N 2.65Å; E111-K114 PolarHBondContact O-N 3.44Å; E111-A115 VanDerWaalsContact O-CB 3.3Å; E111-A115 WeakPolarHBondContact O-CB 3.27Å; E111-A115 PolarHBondContact O-N 2.86Å
112R80.7Confident70.2Confident170 Ų170120.4 Ų120.464%0.64257%0.567SS**Hα-helixtrans-60.5-45.3171.5-72.9176.1-176.1-162.42.8110.9I108 K109 A115 Y116I108-R112 WeakPolarHBondContact O-CB 3.46Å; I108-R112 VanDerWaalsContact O-CG 3.23Å; I108-R112 WeakPolarHBondContact O-CG 3.08Å; I108-R112 PolarHBondContact O-N 3.21Å; K109-R112 PolarHBondContact O-N 3.46Å; R112-A115 PolarHBondContact O-N 3.31Å; R112-Y116 WeakPolarHBondContact O-CD2 3.16Å; R112-Y116 PolarHBondContact O-N 3.46Å
113L75.8Confident69.9Low111 Ų111122.7 Ų122.758%0.58157%0.572SS**Hα-helixtrans-61.3-46.9178.7-13573.3000111.2K109 Q110 E111 A115 Y116 E117K109-L113 WeakPolarHBondContact O-CB 3.23Å; K109-L113 PolarHBondContact O-N 2.97Å; Q110-L113 PolarHBondContact O-N 2.82Å; E111-L113 PolarHBondContact O-N 2.65Å; L113-A115 PolarHBondContact O-N 2.87Å; L113-Y116 CarbonylContact O-C 3.54Å; L113-Y116 WeakPolarHBondContact O-CA 3.23Å; L113-Y116 WeakPolarHBondContact O-CB 3.36Å; L113-Y116 PolarHBondContact O-N 3.09Å; L113-Y116 VanDerWaalsContact O-N 3.1Å; L113-E117 WeakPolarHBondContact O-CG 3.11Å; L113-E117 PolarHBondContact O-N 2.69Å
114K76.4Confident69.2Low110 Ų110122 Ų12248%0.47858%0.579SS.*Hα-helixtrans-62.3-40.7176.1-72.5173.4-174.2175.50111.9Q110 E111 Y116 E117 M118Q110-K114 WeakPolarHBondContact O-CB 3.21Å; Q110-K114 VanDerWaalsContact O-CG 3.26Å; Q110-K114 WeakPolarHBondContact O-CG 3.22Å; Q110-K114 PolarHBondContact O-N 3.28Å; E111-K114 PolarHBondContact O-N 3.44Å; K114-Y116 VanDerWaalsContact C-N 3.31Å; K114-Y116 PolarHBondContact O-N 2.9Å; K114-E117 PolarHBondContact O-N 3.41Å; K114-M118 HydrophobicContact CB-CE 4.27Å; K114-M118 WeakPolarHBondContact O-CB 3.4Å; K114-M118 WeakPolarHBondContact O-CG 3.48Å; K114-M118 PolarHBondContact O-N 3.4Å
115A74.1Confident68.8Low45 Ų45119.9 Ų119.937%0.37258%0.58SS.*Hα-helixtrans-64.7-35.7174.400000111.8E111 R112 L113 K119E111-A115 VanDerWaalsContact O-CB 3.3Å; E111-A115 WeakPolarHBondContact O-CB 3.27Å; E111-A115 PolarHBondContact O-N 2.86Å; R112-A115 PolarHBondContact O-N 3.31Å; L113-A115 PolarHBondContact O-N 2.87Å; A115-K119 VanDerWaalsContact O-CB 3.24Å; A115-K119 WeakPolarHBondContact O-CB 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.4Å; A115-K119 PolarHBondContact O-N 3.41Å
116Y69.1Low68.5Low166 Ų166123.9 Ų123.965%0.65160%0.6SS**Hα-helixtrans-70-40.1172.4-80.8-68.3000112.4R112 L113 K114 K119 K120R112-Y116 WeakPolarHBondContact O-CD2 3.16Å; R112-Y116 PolarHBondContact O-N 3.46Å; L113-Y116 CarbonylContact O-C 3.54Å; L113-Y116 WeakPolarHBondContact O-CA 3.23Å; L113-Y116 WeakPolarHBondContact O-CB 3.36Å; L113-Y116 PolarHBondContact O-N 3.09Å; L113-Y116 VanDerWaalsContact O-N 3.1Å; K114-Y116 VanDerWaalsContact C-N 3.31Å; K114-Y116 PolarHBondContact O-N 2.9Å; Y116-K119 CarbonylContact O-C 3.53Å; Y116-K119 PolarHBondContact O-N 3.26Å; Y116-K120 WeakPolarHBondContact O-CB 3.35Å; Y116-K120 PolarHBondContact O-N 3.4Å
117E70.6Confident68.2Low122 Ų122121.6 Ų121.657%0.5759%0.594SS**Hα-helixtrans-66.3-44.8176.5-72.2-178.1119.500111.6L113 K114 K119 K120 A121L113-E117 WeakPolarHBondContact O-CG 3.11Å; L113-E117 PolarHBondContact O-N 2.69Å; K114-E117 PolarHBondContact O-N 3.41Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 3.41Å; E117-K120 PolarHBondContact O-N 3.42Å; E117-K120 VanDerWaalsContact O-N 3.16Å; E117-A121 WeakPolarHBondContact O-CB 3.43Å; E117-A121 PolarHBondContact O-N 3.03Å
118M66.8Low68.7Low117 Ų117116.1 Ų116.158%0.57658%0.582SS**Hα-helixtrans-63.6-38.5172.9-71.9-173.8-134.100111.6K114 A121 N122K114-M118 HydrophobicContact CB-CE 4.27Å; K114-M118 WeakPolarHBondContact O-CB 3.4Å; K114-M118 WeakPolarHBondContact O-CG 3.48Å; K114-M118 PolarHBondContact O-N 3.4Å; M118-A121 PolarHBondContact O-N 3.38Å; M118-N122 WeakPolarHBondContact O-CB 3.44Å; M118-N122 VanDerWaalsContact O-CG 3.3Å; M118-N122 PolarHBondContact O-N 2.92Å; M118-N122 PolarHBondContact O-ND2 2.91Å
119K65.2Low69.3Low141 Ų141117 Ų11761%0.61358%0.584SS**Hα-helixtrans-68.7-32173.3-77.5175.4-178.9-179.60112.6A115 Y116 E117 K123A115-K119 VanDerWaalsContact O-CB 3.24Å; A115-K119 WeakPolarHBondContact O-CB 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.4Å; A115-K119 PolarHBondContact O-N 3.41Å; Y116-K119 CarbonylContact O-C 3.53Å; Y116-K119 PolarHBondContact O-N 3.26Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 3.41Å; K119-K123 WeakPolarHBondContact O-CG 3.01Å; K119-K123 PolarHBondContact O-N 2.95Å; K119-K123 VanDerWaalsContact O-N 3.08Å
120K64.2Low70Confident170 Ų170110.5 Ų110.574%0.73956%0.556SS**Hα-helixtrans-73.6-34.8175.3-156.5-177.787.2-178.10111.3Y116 E117Y116-K120 WeakPolarHBondContact O-CB 3.35Å; Y116-K120 PolarHBondContact O-N 3.4Å; E117-K120 PolarHBondContact O-N 3.42Å; E117-K120 VanDerWaalsContact O-N 3.16Å
121A57.2Low70.8Confident79 Ų79107.1 Ų107.165%0.65354%0.541SS*.Hα-helixtrans-76.6-33.2174.700000113E117 M118E117-A121 WeakPolarHBondContact O-CB 3.43Å; E117-A121 PolarHBondContact O-N 3.03Å; M118-A121 PolarHBondContact O-N 3.38Å
122N57.6Low71.6Confident132 Ų132100.8 Ų100.871%0.70651%0.511SS*.Hα-helixtrans-85.5-7177-77.6-24000113.9M118 P124M118-N122 WeakPolarHBondContact O-CB 3.44Å; M118-N122 VanDerWaalsContact O-CG 3.3Å; M118-N122 PolarHBondContact O-N 2.92Å; M118-N122 PolarHBondContact O-ND2 2.91Å; N122-P124 WeakPolarHBondContact O-CD 3.37Å; N122-P124 VanDerWaalsContact O-N 3.15Å
123K53.9Low72.3Confident151 Ų15194.6 Ų94.666%0.65749%0.491SS*.SBendtrans-64.9112.4154.5-75.9177.6-174.7-167.50103.8K119 A125K119-K123 WeakPolarHBondContact O-CG 3.01Å; K119-K123 PolarHBondContact O-N 2.95Å; K119-K123 VanDerWaalsContact O-N 3.08Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.42Å
124P52.2Low73.2Confident117 Ų11789.4 Ų89.476%0.7646%0.463SS*.  trans-53.4109.917022.6-29.6000104.4N122 E126N122-P124 WeakPolarHBondContact O-CD 3.37Å; N122-P124 VanDerWaalsContact O-N 3.15Å; P124-E126 PolarHBondContact O-N 2.89Å
125A58.8Low74Confident64 Ų6484.6 Ų84.653%0.52944%0.443SS..  trans-49.6121169.800000103.5K123 V127K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.42Å; A125-V127 VanDerWaalsContact O-CG2 3.29Å; A125-V127 WeakPolarHBondContact O-CG2 3.41Å; A125-V127 PolarHBondContact O-N 3.37Å
126E62.4Low75Confident184 Ų18482.5 Ų82.586%0.8643%0.425SS*.  trans-56.998.3172-75.4174.8171.300104.3P124 A128P124-E126 PolarHBondContact O-N 2.89Å; E126-A128 PolarHBondContact O-N 2.89Å
127V68.5Low76.1Confident65 Ų6577.5 Ų77.539%0.39441%0.407SS..  trans-71.686.4-177.7-174.60000104.5A125 K129 E184A125-V127 VanDerWaalsContact O-CG2 3.29Å; A125-V127 WeakPolarHBondContact O-CG2 3.41Å; A125-V127 PolarHBondContact O-N 3.37Å; V127-K129 HydrophobicContact CG1-CG 4.14Å; V127-K129 PolarHBondContact O-N 3.05Å; V127-K129 VanDerWaalsContact O-N 3.09Å; V127-E184 HydrophobicContact CG1-CB 4.04Å; V127-E184 HydrophobicContact CG1-CG 3.57Å
128A83.8Confident77.1Confident43 Ų4371.8 Ų71.836%0.35538%0.381SS..  trans-61113.4174.200000105.8E126 D185E126-A128 PolarHBondContact O-N 2.89Å; A128-D185 HydrophobicContact CB-CB 4.23Å; A128-D185 WeakPolarHBondContact O-CB 3.39Å; A128-D185 PolarHBondContact O-N 2.84Å
129K89.2Confident78.2Confident88 Ų8873.2 Ų73.238%0.38338%0.38SS..EExtended strand (participates in β ladder)trans-105.1146.9177.5-74.2171.9-61.9-137.60107.7V127 V182 V183 E184 I215V127-K129 HydrophobicContact CG1-CG 4.14Å; V127-K129 PolarHBondContact O-N 3.05Å; V127-K129 VanDerWaalsContact O-N 3.09Å; K129-V182 HydrophobicContact CB-CG1 4.18Å; K129-V182 HydrophobicContact CD-CG1 4.38Å; K129-V182 HydrophobicContact CG-CG1 4.49Å; K129-V183 CarbonylContact C-O 3.54Å; K129-V183 WeakPolarHBondContact CA-O 3.35Å; K129-E184 HydrophobicContact CG-CG 4.3Å; K129-I215 HydrophobicContact CB-CD1 3.66Å; K129-I215 HydrophobicContact CB-CG1 3.45Å; K129-I215 VanDerWaalsContact CB-CG1 3.45Å; K129-I215 WeakPolarHBondContact O-CG1 3.39Å; K129-I215 PolarHBondContact O-N 2.67Å; K129-I215 VanDerWaalsContact O-O 3.12Å
130S91.6Very high79.3Confident0 Ų070.3 Ų70.30%037%0.371CS..EExtended strand (participates in β ladder)trans-125.9137.6171.9-63.60000109.6V182 V183 D185 F212 N213S130-V182 CarbonylContact O-C 3.46Å; S130-V182 WeakPolarHBondContact O-CA 3.24Å; S130-V183 PolarHBondContact N-O 3.47Å; S130-V183 WeakPolarHBondContact O-CG2 3.47Å; S130-V183 PolarHBondContact O-N 2.9Å; S130-D185 WeakPolarHBondContact CB-OD1 3.41Å; S130-D185 VanDerWaalsContact OG-CG 3.24Å; S130-D185 PolarHBondContact OG-OD1 3.32Å; S130-D185 PolarHBondContact OG-OD2 3.15Å; S130-D185 VanDerWaalsContact OG-OD2 3.11Å; S130-F212 VanDerWaalsContact CB-CZ 3.43Å; S130-F212 WeakPolarHBondContact OG-CZ 3.17Å; S130-N213 CarbonylContact C-O 3.5Å; S130-N213 WeakPolarHBondContact CA-O 3.16Å
131N92.6Very high80.4Confident40 Ų4066.7 Ų66.721%0.21436%0.36CS..EExtended strand (participates in β ladder)trans-93.7120.8167.6-170.6-45.8000109.2S180 C181 V182 N213 I215N131-S180 PolarHBondContact ND2-OG 3Å; N131-S180 PolarHBondContact OD1-OG 3.21Å; N131-C181 CarbonylContact C-O 3.49Å; N131-C181 VanDerWaalsContact CA-O 3.3Å; N131-C181 WeakPolarHBondContact CA-O 3.24Å; N131-C181 PolarHBondContact OD1-O 3.07Å; N131-V182 HydrophobicContact CB-CG2 4.47Å; N131-N213 PolarHBondContact N-O 3.18Å; N131-N213 PolarHBondContact O-N 2.96Å; N131-I215 HydrophobicContact CB-CG2 4.28Å
132I93.1Very high81.7Confident1 Ų171 Ų711%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-114.2129.3-179.1-49.7170000108.1L134 S180 C181 V183 T190 L193 I209 A211 F212I132-L134 HydrophobicContact CG2-CD2 3.92Å; I132-L134 HydrophobicContact CG2-CG 3.99Å; I132-S180 CarbonylContact O-C 3.57Å; I132-S180 WeakPolarHBondContact O-CA 3.14Å; I132-C181 PolarHBondContact N-O 3.39Å; I132-C181 PolarHBondContact O-N 3.19Å; I132-V183 HydrophobicContact CD1-CG1 4.19Å; I132-V183 HydrophobicContact CD1-CG2 3.5Å; I132-V183 VanDerWaalsContact CD1-CG2 3.5Å; I132-V183 HydrophobicContact CG1-CG2 4.12Å; I132-T190 HydrophobicContact CD1-CG2 3.77Å; I132-L193 HydrophobicContact CD1-CD1 3.81Å; I132-I209 HydrophobicContact CG2-CG2 4.21Å; I132-A211 WeakPolarHBondContact CA-O 3.47Å; I132-F212 HydrophobicContact CD1-CD2 4.13Å; I132-F212 HydrophobicContact CD1-CE2 3.93Å; I132-F212 HydrophobicContact CG1-CD2 3.68Å; I132-F212 HydrophobicContact CG1-CE2 3.83Å
133I94.9Very high83.1Confident40 Ų4066 Ų6621%0.20534%0.341CS..EExtended strand (participates in β ladder)trans-106118.9172.3-55.7-178.7000107.9Q178 V210 A211I133-Q178 VanDerWaalsContact CG2-CD 3.49Å; I133-Q178 HydrophobicContact CG2-CG 3.44Å; I133-Q178 VanDerWaalsContact CG2-CG 3.44Å; I133-V210 HydrophobicContact CB-CB 4.36Å; I133-V210 HydrophobicContact CG2-CB 4.12Å; I133-V210 PolarHBondContact O-N 3.41Å; I133-A211 HydrophobicContact CB-CB 4.13Å; I133-A211 HydrophobicContact CD1-CB 4.07Å; I133-A211 HydrophobicContact CG1-CB 4.21Å; I133-A211 PolarHBondContact N-O 3.15Å; I133-A211 PolarHBondContact O-N 3.26Å
134L94.5Very high84.8Confident2 Ų263.3 Ų63.31%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-110.8132.4-177.5-62.5162.6000109.2I132 I136 W162 Q178 I179 L193 I197 V207 D208 I209I132-L134 HydrophobicContact CG2-CD2 3.92Å; I132-L134 HydrophobicContact CG2-CG 3.99Å; L134-I136 HydrophobicContact CB-CD1 4.35Å; L134-W162 HydrophobicContact CD1-CZ3 4.35Å; L134-Q178 CarbonylContact O-C 3.48Å; L134-Q178 WeakPolarHBondContact O-CA 3.13Å; L134-I179 HydrophobicContact CB-CG2 4.17Å; L134-I179 PolarHBondContact N-O 3.37Å; L134-I179 PolarHBondContact O-N 3.48Å; L134-L193 HydrophobicContact CD1-CB 4.41Å; L134-L193 HydrophobicContact CD1-CD1 4.38Å; L134-I197 HydrophobicContact CD1-CD1 3.77Å; L134-V207 HydrophobicContact CB-CG1 4.42Å; L134-V207 HydrophobicContact CD2-CG1 3.98Å; L134-D208 WeakPolarHBondContact CA-O 3.19Å; L134-I209 HydrophobicContact CD2-CG1 3.82Å
135D94.7Very high86.4Confident10 Ų1059.3 Ų59.35%0.05331%0.305CS..EExtended strand (participates in β ladder)trans-98.3119.8166.5-84.3-9.8000108.8K176 Q178 V207 D208 V210D135-K176 HydrophobicContact CB-CD 4.1Å; D135-K176 WeakPolarHBondContact OD2-CD 3.39Å; D135-K176 VanDerWaalsContact OD2-CE 3.23Å; D135-K176 WeakPolarHBondContact OD2-CE 3.34Å; D135-K176 IonicContact OD2-NZ 2.65Å; D135-K176 PolarHBondContact OD2-NZ 3.14Å; D135-Q178 VanDerWaalsContact OD1-CB 3.23Å; D135-Q178 WeakPolarHBondContact OD1-CB 3.29Å; D135-Q178 VanDerWaalsContact OD1-CG 3.27Å; D135-Q178 WeakPolarHBondContact OD1-CG 3.23Å; D135-Q178 PolarHBondContact OD1-NE2 3.03Å; D135-V207 CarbonylContact O-C 3.51Å; D135-V207 WeakPolarHBondContact O-CA 3.33Å; D135-D208 HydrophobicContact CB-CB 4.4Å; D135-D208 PolarHBondContact N-O 2.96Å; D135-D208 PolarHBondContact O-N 3.24Å; D135-V210 HydrophobicContact CB-CG2 3.71Å; D135-V210 WeakPolarHBondContact OD1-CG2 3.46Å; D135-V210 WeakPolarHBondContact OD2-CG2 3.45Å
136I93.5Very high87.9Confident0 Ų059.5 Ų59.50%031%0.307CS..EExtended strand (participates in β ladder)trans-103.2119.5173.5-56.996.3000108.4L134 M148 I152 K176 V177 I179 I197 V204L134-I136 HydrophobicContact CB-CD1 4.35Å; I136-M148 HydrophobicContact CB-CE 4.24Å; I136-M148 HydrophobicContact CG2-CE 3.87Å; I136-M148 HydrophobicContact CG2-CG 4.47Å; I136-M148 HydrophobicContact CG2-SD 3.63Å; I136-I152 HydrophobicContact CB-CD1 4.33Å; I136-I152 HydrophobicContact CD1-CD1 3.72Å; I136-I152 HydrophobicContact CG1-CD1 3.77Å; I136-I152 HydrophobicContact CG2-CD1 4.28Å; I136-K176 WeakPolarHBondContact O-CA 3.42Å; I136-K176 WeakPolarHBondContact O-CB 3.33Å; I136-V177 PolarHBondContact N-O 2.82Å; I136-V177 PolarHBondContact O-N 3.1Å; I136-I179 HydrophobicContact CD1-CB 4.39Å; I136-I179 HydrophobicContact CD1-CG2 3.44Å; I136-I179 VanDerWaalsContact CD1-CG2 3.44Å; I136-I197 HydrophobicContact CG1-CG2 3.96Å; I136-I197 HydrophobicContact CG2-CG2 4.38Å; I136-V204 HydrophobicContact CG2-CB 4.17Å; I136-V204 HydrophobicContact CG2-CG1 3.68Å; I136-V204 HydrophobicContact CG2-CG2 3.59Å
137K92.7Very high89.2Confident61 Ų6154 Ų5427%0.26528%0.281SS..EExtended strand (participates in β ladder)trans-95.1126.5175.1-60.1-164.2-170.887.50109.8K176 Q205 S206 D208K137-K176 HydrophobicContact CG-CB 4.44Å; K137-Q205 WeakPolarHBondContact O-CB 3.3Å; K137-Q205 PolarHBondContact O-N 3.12Å; K137-S206 PolarHBondContact N-O 2.95Å; K137-S206 PolarHBondContact O-N 2.89Å; K137-D208 IonicContact NZ-OD1 3.72Å; K137-D208 IonicContact NZ-OD2 2.57Å; K137-D208 PolarHBondContact NZ-OD2 2.85Å
138P92.7Very high90.2Very high3 Ų351 Ų512%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-76.3169.2172.234.7-36.7000111.3T143 L145 M148 I174 K175 L203P138-T143 HydrophobicContact CB-CG2 3.93Å; P138-L145 HydrophobicContact CB-CD2 4.28Å; P138-L145 HydrophobicContact CG-CD2 3.99Å; P138-M148 HydrophobicContact CB-SD 4.43Å; P138-I174 HydrophobicContact CG-CG2 4.31Å; P138-K175 WeakPolarHBondContact CD-O 3.26Å; P138-K175 WeakPolarHBondContact CG-O 3.46Å; P138-L203 VanDerWaalsContact CA-O 3.31Å; P138-L203 WeakPolarHBondContact CA-O 3.32Å
139W89.6Confident90.5Very high147 Ų14751 Ų5156%0.55726%0.255SS*.SBendtrans-67.4-40.4172.1-77.2103.9000113.3E201 V204 Q205W139-E201 PolarHBondContact NE1-O 3.08Å; W139-V204 PolarHBondContact NE1-O 3.25Å; W139-Q205 HydrophobicContact CD2-CB 4.05Å; W139-Q205 HydrophobicContact CD2-CG 4.46Å; W139-Q205 HydrophobicContact CE3-CB 4.34Å; W139-Q205 HydrophobicContact CE3-CG 4.27Å; W139-Q205 HydrophobicContact CG-CB 4.31Å; W139-Q205 HydrophobicContact CZ3-CG 4.33Å
140D88.7Confident90.7Very high79 Ų7954.7 Ų54.742%0.42227%0.267SS..SBendtrans-147.8162.2-171.8-157.713.5000112.7E142 T143D140-E142 VanDerWaalsContact C-N 3.28Å; D140-E142 PolarHBondContact O-N 3.21Å; D140-T143 PolarHBondContact N-OG1 3.39Å; D140-T143 VanDerWaalsContact O-CB 3.26Å; D140-T143 WeakPolarHBondContact O-CB 3.39Å; D140-T143 PolarHBondContact O-N 3.12Å; D140-T143 PolarHBondContact O-OG1 3.45Å
141D86.3Confident90.7Very high94 Ų9457.5 Ų57.550%0.50328%0.28SS..THydrogen-bonded Turntrans-72.2-17.8179.971.1-25.1000114.2T143 I174D141-T143 VanDerWaalsContact C-N 3.34Å; D141-I174 HydrophobicContact CB-CG1 4.35Å
142E85.5Confident90.6Very high171 Ų17155.6 Ų55.680%0.79927%0.27SS*.THydrogen-bonded Turntrans-81.7-7.1171.1-61.8-162.5142.800113.9D140D140-E142 VanDerWaalsContact C-N 3.28Å; D140-E142 PolarHBondContact O-N 3.21Å
143T85.8Confident90.6Very high27 Ų2760 Ų6017%0.16629%0.287CS..SBendtrans-66.6133.3-177.9-57.30000111P138 D140 D141 L145 L203P138-T143 HydrophobicContact CB-CG2 3.93Å; D140-T143 PolarHBondContact N-OG1 3.39Å; D140-T143 VanDerWaalsContact O-CB 3.26Å; D140-T143 WeakPolarHBondContact O-CB 3.39Å; D140-T143 PolarHBondContact O-N 3.12Å; D140-T143 PolarHBondContact O-OG1 3.45Å; D141-T143 VanDerWaalsContact C-N 3.34Å; T143-L145 PolarHBondContact O-N 3.45Å; T143-L203 HydrophobicContact CG2-CB 4.31Å; T143-L203 HydrophobicContact CG2-CD2 3.68Å
144D88.8Confident90.4Very high93 Ų9362 Ų6250%0.49731%0.308SS..  trans-69.599.5179.2-168.2-27.9000111.3A146 E147 M148D144-A146 PolarHBondContact O-N 3.41Å; D144-A146 WeakPolarHBondContact OD1-CA 3.23Å; D144-A146 VanDerWaalsContact OD1-CB 3.32Å; D144-A146 WeakPolarHBondContact OD1-CB 3.37Å; D144-A146 PolarHBondContact OD1-N 2.92Å; D144-E147 HydrophobicContact CB-CB 4.07Å; D144-E147 PolarHBondContact O-N 3.14Å; D144-E147 PolarHBondContact OD1-N 3.03Å; D144-M148 PolarHBondContact O-N 3.22Å
145L87.6Confident90.1Very high34 Ų3463.1 Ų63.118%0.17831%0.314CS..Hα-helixtrans-66-26.6179.1-54.7178.5000112.8P138 T143 M148 E149 V167 K175 V177P138-L145 HydrophobicContact CB-CD2 4.28Å; P138-L145 HydrophobicContact CG-CD2 3.99Å; T143-L145 PolarHBondContact O-N 3.45Å; L145-M148 HydrophobicContact CD2-CE 4.03Å; L145-E149 WeakPolarHBondContact O-CB 3.44Å; L145-E149 PolarHBondContact O-N 3.09Å; L145-V167 HydrophobicContact CD1-CG1 3.58Å; L145-V167 HydrophobicContact CD1-CG2 4.22Å; L145-K175 HydrophobicContact CD1-CB 3.89Å; L145-K175 HydrophobicContact CD1-CD 4.23Å; L145-V177 HydrophobicContact CB-CG2 4.05Å; L145-V177 HydrophobicContact CD2-CG2 4.18Å
146A88.9Confident89.7Confident67 Ų6767.8 Ų67.855%0.55435%0.347SS*.Hα-helixtrans-76.3-40.5178.900000110.9D144 M148 E149 R150D144-A146 PolarHBondContact O-N 3.41Å; D144-A146 WeakPolarHBondContact OD1-CA 3.23Å; D144-A146 VanDerWaalsContact OD1-CB 3.32Å; D144-A146 WeakPolarHBondContact OD1-CB 3.37Å; D144-A146 PolarHBondContact OD1-N 2.92Å; A146-M148 VanDerWaalsContact C-N 3.35Å; A146-E149 PolarHBondContact O-N 3.48Å; A146-R150 WeakPolarHBondContact O-CB 3.3Å; A146-R150 PolarHBondContact O-N 3.3Å
147E90Very high89.3Confident70 Ų7070 Ų7033%0.32736%0.361SS..Hα-helixtrans-67.1-38172.8-171.358.5-153.900111D144 E149 R150 Q151 L203D144-E147 HydrophobicContact CB-CB 4.07Å; D144-E147 PolarHBondContact O-N 3.14Å; D144-E147 PolarHBondContact OD1-N 3.03Å; E147-E149 PolarHBondContact O-N 3.19Å; E147-R150 WeakPolarHBondContact O-CB 3.3Å; E147-R150 PolarHBondContact O-N 3.19Å; E147-R150 VanDerWaalsContact O-N 3.16Å; E147-R150 IonicContact OE1-NH1 2.81Å; E147-R150 WeakPolarHBondContact OE2-CD 3.35Å; E147-R150 IonicContact OE2-NH1 3.87Å; E147-R150 PolarHBondContact OE2-NH1 2.88Å; E147-Q151 WeakPolarHBondContact O-CG 3.29Å; E147-Q151 PolarHBondContact O-N 2.95Å; E147-L203 HydrophobicContact CG-CD1 4.37Å
148M89.3Confident89Confident0 Ų072.2 Ų72.20%038%0.376CS..Hα-helixtrans-60.1-47.3173.6-169.9174.668.200111.8I136 P138 D144 L145 A146 R150 Q151 I152 V177 L203 V204I136-M148 HydrophobicContact CB-CE 4.24Å; I136-M148 HydrophobicContact CG2-CE 3.87Å; I136-M148 HydrophobicContact CG2-CG 4.47Å; I136-M148 HydrophobicContact CG2-SD 3.63Å; P138-M148 HydrophobicContact CB-SD 4.43Å; D144-M148 PolarHBondContact O-N 3.22Å; L145-M148 HydrophobicContact CD2-CE 4.03Å; A146-M148 VanDerWaalsContact C-N 3.35Å; M148-R150 VanDerWaalsContact C-N 3.28Å; M148-R150 PolarHBondContact O-N 2.93Å; M148-Q151 PolarHBondContact O-N 3.33Å; M148-I152 HydrophobicContact CG-CD1 4.07Å; M148-I152 WeakPolarHBondContact O-CD1 3.47Å; M148-I152 VanDerWaalsContact O-CG1 3.25Å; M148-I152 WeakPolarHBondContact O-CG1 3.48Å; M148-I152 PolarHBondContact O-N 2.91Å; M148-V177 HydrophobicContact CE-CB 3.68Å; M148-V177 HydrophobicContact CE-CG2 3.25Å; M148-L203 HydrophobicContact CB-CB 4.2Å; M148-L203 HydrophobicContact CB-CD1 3.95Å; M148-L203 HydrophobicContact CG-CB 3.98Å; M148-L203 HydrophobicContact CG-CD1 4.44Å; M148-L203 HydrophobicContact SD-CB 4.21Å; M148-V204 HydrophobicContact CG-CG2 4.18Å; M148-V204 HydrophobicContact SD-CG2 3.99Å
149E91.3Very high88.7Confident43 Ų4372.9 Ų72.920%0.20138%0.383CS..Hα-helixtrans-60.6-39.6174.6-177.3-180165.200111.9L145 A146 E147 I152 R153 S165L145-E149 WeakPolarHBondContact O-CB 3.44Å; L145-E149 PolarHBondContact O-N 3.09Å; A146-E149 PolarHBondContact O-N 3.48Å; E147-E149 PolarHBondContact O-N 3.19Å; E149-I152 PolarHBondContact O-N 3.34Å; E149-R153 HydrophobicContact CG-CG 4.34Å; E149-R153 WeakPolarHBondContact O-CB 3.34Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 2.92Å; E149-R153 IonicContact OE1-CZ 2.75Å; E149-R153 VanDerWaalsContact OE1-CZ 3.28Å; E149-R153 IonicContact OE1-NE 3.29Å; E149-R153 PolarHBondContact OE1-NE 3.41Å; E149-R153 IonicContact OE1-NH2 3.28Å; E149-R153 PolarHBondContact OE1-NH2 3.49Å; E149-S165 WeakPolarHBondContact OE1-CB 3.39Å; E149-S165 PolarHBondContact OE1-OG 3.1Å; E149-S165 PolarHBondContact OE2-OG 3.09Å; E149-S165 VanDerWaalsContact OE2-OG 3.11Å
150R92.6Very high88.7Confident167 Ų16766.8 Ų66.863%0.6336%0.361SS*.Hα-helixtrans-64.2-43.4179.2-171.2-174.9-178.1-153.6-0.7112A146 E147 M148 R153 A154A146-R150 WeakPolarHBondContact O-CB 3.3Å; A146-R150 PolarHBondContact O-N 3.3Å; E147-R150 WeakPolarHBondContact O-CB 3.3Å; E147-R150 PolarHBondContact O-N 3.19Å; E147-R150 VanDerWaalsContact O-N 3.16Å; E147-R150 IonicContact OE1-NH1 2.81Å; E147-R150 WeakPolarHBondContact OE2-CD 3.35Å; E147-R150 IonicContact OE2-NH1 3.87Å; E147-R150 PolarHBondContact OE2-NH1 2.88Å; M148-R150 VanDerWaalsContact C-N 3.28Å; M148-R150 PolarHBondContact O-N 2.93Å; R150-R153 PolarHBondContact O-N 3.09Å; R150-A154 WeakPolarHBondContact O-CB 3.43Å; R150-A154 PolarHBondContact O-N 3.32Å
151Q91.2Very high88.8Confident59 Ų5968.6 Ų68.628%0.27637%0.371SS..Hα-helixtrans-64.4-42.2175.3-68.9-159.144.300111.4E147 M148 R153 A154 I155 I200 L203E147-Q151 WeakPolarHBondContact O-CG 3.29Å; E147-Q151 PolarHBondContact O-N 2.95Å; M148-Q151 PolarHBondContact O-N 3.33Å; Q151-R153 PolarHBondContact O-N 3.22Å; Q151-A154 WeakPolarHBondContact O-CB 3.15Å; Q151-A154 PolarHBondContact O-N 3.28Å; Q151-A154 VanDerWaalsContact O-N 3.14Å; Q151-I155 PolarHBondContact O-N 3.31Å; Q151-I200 HydrophobicContact CB-CD1 3.8Å; Q151-I200 HydrophobicContact CB-CG2 4.45Å; Q151-I200 VanDerWaalsContact OE1-CG2 3.3Å; Q151-L203 VanDerWaalsContact NE2-CD1 3.32Å
152I91.7Very high89.1Confident0 Ų065.8 Ų65.80%035%0.353CS..Hα-helixtrans-61.4-45.9175.9-66.1163000110.7I136 M148 E149 A154 I155 W162 I179 I197 I200I136-I152 HydrophobicContact CB-CD1 4.33Å; I136-I152 HydrophobicContact CD1-CD1 3.72Å; I136-I152 HydrophobicContact CG1-CD1 3.77Å; I136-I152 HydrophobicContact CG2-CD1 4.28Å; M148-I152 HydrophobicContact CG-CD1 4.07Å; M148-I152 WeakPolarHBondContact O-CD1 3.47Å; M148-I152 VanDerWaalsContact O-CG1 3.25Å; M148-I152 WeakPolarHBondContact O-CG1 3.48Å; M148-I152 PolarHBondContact O-N 2.91Å; E149-I152 PolarHBondContact O-N 3.34Å; I152-A154 PolarHBondContact O-N 3.12Å; I152-I155 VanDerWaalsContact O-CB 3.32Å; I152-I155 WeakPolarHBondContact O-CB 3.43Å; I152-I155 PolarHBondContact O-N 3.18Å; I152-I155 VanDerWaalsContact O-N 3.11Å; I152-W162 HydrophobicContact CG2-CD2 4.4Å; I152-W162 HydrophobicContact CG2-CE3 4.23Å; I152-W162 HydrophobicContact CG2-CH2 3.57Å; I152-W162 HydrophobicContact CG2-CZ2 3.71Å; I152-W162 HydrophobicContact CG2-CZ3 3.83Å; I152-W162 WeakPolarHBondContact O-CZ2 3.3Å; I152-W162 PolarHBondContact O-NE1 2.89Å; I152-I179 HydrophobicContact CG2-CD1 3.99Å; I152-I179 HydrophobicContact CG2-CG2 4.5Å; I152-I197 HydrophobicContact CD1-CG2 4.42Å; I152-I197 HydrophobicContact CG1-CG2 4.28Å; I152-I197 HydrophobicContact CG2-CG1 4.46Å; I152-I200 HydrophobicContact CG1-CD1 4.14Å
153R91.7Very high89.5Confident94 Ų9459 Ų5936%0.35533%0.328SS..Hα-helixtrans-66.7-22.2177.2-73.1-176.5-179.1-73.8-4.3113.6E149 R150 Q151 I155 W162 G163 S165 I179E149-R153 HydrophobicContact CG-CG 4.34Å; E149-R153 WeakPolarHBondContact O-CB 3.34Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 2.92Å; E149-R153 IonicContact OE1-CZ 2.75Å; E149-R153 VanDerWaalsContact OE1-CZ 3.28Å; E149-R153 IonicContact OE1-NE 3.29Å; E149-R153 PolarHBondContact OE1-NE 3.41Å; E149-R153 IonicContact OE1-NH2 3.28Å; E149-R153 PolarHBondContact OE1-NH2 3.49Å; R150-R153 PolarHBondContact O-N 3.09Å; Q151-R153 PolarHBondContact O-N 3.22Å; R153-I155 VanDerWaalsContact C-N 3.27Å; R153-W162 HydrophobicContact CG-CB 4.48Å; R153-W162 HydrophobicContact CG-CG 4.45Å; R153-G163 PolarHBondContact NH1-O 3.04Å; R153-G163 PolarHBondContact NH2-O 2.89Å; R153-S165 PolarHBondContact NH2-OG 3.12Å; R153-I179 HydrophobicContact CG-CD1 4.42Å
154A91.6Very high89.8Confident80 Ų8061.4 Ų61.466%0.66135%0.351SS*.Hα-helixtrans-73.3-20.7174.600000112.5R150 Q151 I152 S156R150-A154 WeakPolarHBondContact O-CB 3.43Å; R150-A154 PolarHBondContact O-N 3.32Å; Q151-A154 WeakPolarHBondContact O-CB 3.15Å; Q151-A154 PolarHBondContact O-N 3.28Å; Q151-A154 VanDerWaalsContact O-N 3.14Å; I152-A154 PolarHBondContact O-N 3.12Å; A154-S156 PolarHBondContact O-N 3.41Å; A154-S156 VanDerWaalsContact O-N 3.07Å
155I88.8Confident90Very high27 Ų2758.7 Ų58.714%0.13834%0.339CS..  trans-68106.8171.1-57.4163.5000107.6Q151 I152 R153 L160 W162 R196 I197 I200Q151-I155 PolarHBondContact O-N 3.31Å; I152-I155 VanDerWaalsContact O-CB 3.32Å; I152-I155 WeakPolarHBondContact O-CB 3.43Å; I152-I155 PolarHBondContact O-N 3.18Å; I152-I155 VanDerWaalsContact O-N 3.11Å; R153-I155 VanDerWaalsContact C-N 3.27Å; I155-L160 HydrophobicContact CG2-CD2 4.47Å; I155-W162 HydrophobicContact CB-CZ2 4.31Å; I155-W162 PolarHBondContact O-NE1 2.81Å; I155-R196 HydrophobicContact CD1-CB 3.93Å; I155-R196 HydrophobicContact CG1-CB 4.46Å; I155-R196 HydrophobicContact CG2-CB 3.95Å; I155-R196 HydrophobicContact CG2-CG 4.26Å; I155-I197 HydrophobicContact CD1-CG1 4Å; I155-I200 HydrophobicContact CD1-CD1 4.17Å
156S85.1Confident90.3Very high107 Ų10762.5 Ų62.575%0.74836%0.355SS*.  trans-123.6131.6177.6-175.80000109.5A154A154-S156 PolarHBondContact O-N 3.41Å; A154-S156 VanDerWaalsContact O-N 3.07Å
157T85.4Confident90.5Very high47 Ų4762.6 Ų62.629%0.28835%0.348SS..  trans-141.6160174.1-170.10000109.4G159 L160 V188 F192T157-G159 PolarHBondContact O-N 3.07Å; T157-L160 HydrophobicContact CG2-CB 3.43Å; T157-L160 VanDerWaalsContact CG2-CB 3.43Å; T157-L160 HydrophobicContact CG2-CD2 3.92Å; T157-L160 HydrophobicContact CG2-CG 4.33Å; T157-L160 PolarHBondContact O-N 3.37Å; T157-V188 HydrophobicContact CG2-CG1 4.23Å; T157-V188 HydrophobicContact CG2-CG2 3.6Å; T157-F192 HydrophobicContact CG2-CD1 4.34Å; T157-F192 HydrophobicContact CG2-CE1 3.58Å; T157-F192 HydrophobicContact CG2-CZ 4.14Å
158D85.9Confident90.7Very high108 Ų10861.4 Ų61.458%0.57834%0.344SS*.THydrogen-bonded Turntrans-61.8128.3175.5-173.733.4000110.2K187 V188D158-K187 HydrophobicContact CB-CD 4.48Å; D158-K187 IonicContact OD1-NZ 2.75Å; D158-K187 PolarHBondContact OD1-NZ 2.92Å; D158-K187 WeakPolarHBondContact OD2-CD 3.37Å; D158-K187 VanDerWaalsContact OD2-CE 3.23Å; D158-K187 WeakPolarHBondContact OD2-CE 3.48Å; D158-K187 IonicContact OD2-NZ 2.83Å; D158-K187 PolarHBondContact OD2-NZ 3.48Å; D158-V188 WeakPolarHBondContact O-CG2 3.47Å
159G86.5Confident90.8Very high16 Ų1666.2 Ų66.217%0.16538%0.375CS..THydrogen-bonded Turntrans83.32.3-176.500000116.3T157 V183 E184T157-G159 PolarHBondContact O-N 3.07Å; G159-V183 CarbonylContact O-C 3.56Å; G159-V183 VanDerWaalsContact O-CA 3.27Å; G159-V183 WeakPolarHBondContact O-CA 3.44Å; G159-E184 PolarHBondContact O-N 3.31Å
160L89.4Confident90.5Very high19 Ų1967.9 Ų67.910%0.09939%0.388CS..EExtended strand (participates in β ladder)trans-104.7125.1175.4176.163.1000111.6I155 T157 W162 C181 V183 L193I155-L160 HydrophobicContact CG2-CD2 4.47Å; T157-L160 HydrophobicContact CG2-CB 3.43Å; T157-L160 VanDerWaalsContact CG2-CB 3.43Å; T157-L160 HydrophobicContact CG2-CD2 3.92Å; T157-L160 HydrophobicContact CG2-CG 4.33Å; T157-L160 PolarHBondContact O-N 3.37Å; L160-W162 HydrophobicContact CD2-CZ2 3.85Å; L160-C181 HydrophobicContact CD1-CB 3.82Å; L160-V183 HydrophobicContact CD1-CG1 3.67Å; L160-L193 HydrophobicContact CD1-CD1 4.43Å; L160-L193 HydrophobicContact CD1-CD2 3.67Å; L160-L193 HydrophobicContact CD2-CD2 3.58Å; L160-L193 HydrophobicContact CG-CD2 4.25Å
161L91.4Very high90.2Very high118 Ų11862.3 Ų62.362%0.61838%0.377SS*.EExtended strand (participates in β ladder)trans-123.9117.5172.7-177.568.3000110.8C181 V182L161-C181 CarbonylContact O-C 3.58Å; L161-C181 WeakPolarHBondContact O-CA 3.39Å; L161-V182 HydrophobicContact CB-CB 4.43Å; L161-V182 PolarHBondContact N-O 3.47Å; L161-V182 PolarHBondContact O-N 3.35Å
162W93.9Very high89.9Confident35 Ų3570.4 Ų70.413%0.13341%0.407CS..EExtended strand (participates in β ladder)trans-72.6129.3171.6-65.4110.9000111.3L134 I152 R153 I155 L160 I179 C181 L193 I197L134-W162 HydrophobicContact CD1-CZ3 4.35Å; I152-W162 HydrophobicContact CG2-CD2 4.4Å; I152-W162 HydrophobicContact CG2-CE3 4.23Å; I152-W162 HydrophobicContact CG2-CH2 3.57Å; I152-W162 HydrophobicContact CG2-CZ2 3.71Å; I152-W162 HydrophobicContact CG2-CZ3 3.83Å; I152-W162 WeakPolarHBondContact O-CZ2 3.3Å; I152-W162 PolarHBondContact O-NE1 2.89Å; R153-W162 HydrophobicContact CG-CB 4.48Å; R153-W162 HydrophobicContact CG-CG 4.45Å; I155-W162 HydrophobicContact CB-CZ2 4.31Å; I155-W162 PolarHBondContact O-NE1 2.81Å; L160-W162 HydrophobicContact CD2-CZ2 3.85Å; W162-I179 HydrophobicContact CD2-CD1 4.16Å; W162-I179 HydrophobicContact CE3-CD1 3.54Å; W162-I179 HydrophobicContact CE3-CG1 3.9Å; W162-I179 HydrophobicContact CE3-CG2 4.36Å; W162-I179 HydrophobicContact CZ3-CD1 4.09Å; W162-I179 HydrophobicContact CZ3-CG1 4.35Å; W162-I179 HydrophobicContact CZ3-CG2 3.94Å; W162-C181 HydrophobicContact CD2-CB 4.36Å; W162-C181 HydrophobicContact CE3-CB 3.58Å; W162-C181 HydrophobicContact CZ3-CB 3.7Å; W162-L193 HydrophobicContact CH2-CD2 4.36Å; W162-I197 HydrophobicContact CH2-CD1 4.11Å
163G92.3Very high89.6Confident27 Ų2772.9 Ų72.928%0.27843%0.432SS..EExtended strand (participates in β ladder)trans-98.3-146.6177.300000112.9R153 S180R153-G163 PolarHBondContact NH1-O 3.04Å; R153-G163 PolarHBondContact NH2-O 2.89Å; G163-S180 VanDerWaalsContact CA-O 3.28Å; G163-S180 WeakPolarHBondContact CA-O 3.49Å; G163-S180 PolarHBondContact N-O 3Å
164A93.1Very high89.4Confident79 Ų7971.3 Ų71.365%0.65343%0.431SS*.EExtended strand (participates in β ladder)trans-70.7142.1179.400000111.5S180A164-S180 PolarHBondContact O-N 3.06Å
165S93.6Very high89.4Confident35 Ų3572.7 Ų72.725%0.24542%0.421CS..EExtended strand (participates in β ladder)trans-114.3151.6171.155.30000109.7E149 R153 Q178E149-S165 WeakPolarHBondContact OE1-CB 3.39Å; E149-S165 PolarHBondContact OE1-OG 3.1Å; E149-S165 PolarHBondContact OE2-OG 3.09Å; E149-S165 VanDerWaalsContact OE2-OG 3.11Å; R153-S165 PolarHBondContact NH2-OG 3.12Å; S165-Q178 CarbonylContact C-O 3.6Å; S165-Q178 VanDerWaalsContact CA-O 3.26Å; S165-Q178 WeakPolarHBondContact CA-O 3.33Å
166K93.9Very high89.6Confident115 Ų11573.3 Ų73.350%0.542%0.423SS..EExtended strand (participates in β ladder)trans-149.8148169.859.2179.4167.6166.40109.9I168 Q178K166-I168 HydrophobicContact CD-CD1 4.19Å; K166-I168 HydrophobicContact CD-CG1 4.26Å; K166-I168 HydrophobicContact CG-CD1 4.35Å; K166-I168 HydrophobicContact CG-CG1 4.2Å; K166-Q178 HydrophobicContact CG-CB 3.99Å; K166-Q178 PolarHBondContact N-O 2.92Å; K166-Q178 PolarHBondContact O-N 3.31Å
167V93Very high90.1Very high68 Ų6868.2 Ų68.241%0.41239%0.388SS..EExtended strand (participates in β ladder)trans-94.5121.1175.4-179.90000108.8L145 K175 K176 V177L145-V167 HydrophobicContact CD1-CG1 3.58Å; L145-V167 HydrophobicContact CD1-CG2 4.22Å; V167-K175 HydrophobicContact CG1-CB 3.57Å; V167-K175 HydrophobicContact CG1-CD 3.77Å; V167-K175 HydrophobicContact CG1-CG 4.13Å; V167-K176 CarbonylContact C-O 3.59Å; V167-K176 WeakPolarHBondContact CA-O 3.44Å; V167-V177 HydrophobicContact CG2-CG2 4.36Å
168I92.7Very high90.5Very high46 Ų4667 Ų6724%0.23638%0.379CS..EExtended strand (participates in β ladder)trans-111.6128-179.9-62.9173.4000109.1K166 K175 K176 Q178K166-I168 HydrophobicContact CD-CD1 4.19Å; K166-I168 HydrophobicContact CD-CG1 4.26Å; K166-I168 HydrophobicContact CG-CD1 4.35Å; K166-I168 HydrophobicContact CG-CG1 4.2Å; I168-K175 CarbonylContact O-C 3.57Å; I168-K175 WeakPolarHBondContact O-CA 3.48Å; I168-K176 HydrophobicContact CB-CG 4.06Å; I168-K176 PolarHBondContact N-O 3.35Å; I168-K176 WeakPolarHBondContact O-CG 3.42Å; I168-K176 PolarHBondContact O-N 2.95Å; I168-Q178 HydrophobicContact CD1-CB 3.84Å; I168-Q178 HydrophobicContact CD1-CG 4.41Å; I168-Q178 HydrophobicContact CG1-CB 4.46Å
169P92.1Very high91Very high101 Ų10161.9 Ų61.966%0.65635%0.351SS*.EExtended strand (participates in β ladder)trans-69.8134.9171.329.2-33.1000110.6
170V85Confident91.3Very high78 Ų7862.2 Ų62.247%0.47335%0.351SS..EExtended strand (participates in β ladder)trans-101.2-70.8179.9-172.50000110.3I174 K176V170-I174 PolarHBondContact N-O 2.81Å; V170-K176 HydrophobicContact CG2-CB 3.8Å; V170-K176 HydrophobicContact CG2-CD 3.5Å; V170-K176 VanDerWaalsContact CG2-CD 3.5Å; V170-K176 HydrophobicContact CG2-CG 3.48Å; V170-K176 VanDerWaalsContact CG2-CG 3.48Å
171A87Confident91.5Very high50 Ų5061.3 Ų61.341%0.41335%0.346SS..EExtended strand (participates in β ladder)trans-167.4157.9179.700000110.2G173 I174A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.09Å; A171-I174 WeakPolarHBondContact O-CB 3.47Å; A171-I174 PolarHBondContact O-N 3.22Å
172Y84.9Confident91.5Very high228 Ų22857.3 Ų57.389%0.89433%0.327SS*.THydrogen-bonded Turntrans54.235173.7-55.9-78.5000115.4I174Y172-I174 PolarHBondContact O-N 2.91Å
173G84.5Confident91.4Very high52 Ų5255.7 Ų55.754%0.53632%0.321SS..THydrogen-bonded Turntrans84.9-18.7-178.600000114.4A171A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.09Å
174I88.5Confident91.3Very high62 Ų6256.8 Ų56.832%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-71.7132.9-179.4-55.7169.6000110.5P138 D141 V170 A171 Y172P138-I174 HydrophobicContact CG-CG2 4.31Å; D141-I174 HydrophobicContact CB-CG1 4.35Å; V170-I174 PolarHBondContact N-O 2.81Å; A171-I174 WeakPolarHBondContact O-CB 3.47Å; A171-I174 PolarHBondContact O-N 3.22Å; Y172-I174 PolarHBondContact O-N 2.91Å
175K91.1Very high91Very high108 Ų10855.2 Ų55.247%0.4730%0.299SS..EExtended strand (participates in β ladder)trans-115.5142175.3-61.2171.8-171166.10109.4P138 L145 V167 I168P138-K175 WeakPolarHBondContact CD-O 3.26Å; P138-K175 WeakPolarHBondContact CG-O 3.46Å; L145-K175 HydrophobicContact CD1-CB 3.89Å; L145-K175 HydrophobicContact CD1-CD 4.23Å; V167-K175 HydrophobicContact CG1-CB 3.57Å; V167-K175 HydrophobicContact CG1-CD 3.77Å; V167-K175 HydrophobicContact CG1-CG 4.13Å; I168-K175 CarbonylContact O-C 3.57Å; I168-K175 WeakPolarHBondContact O-CA 3.48Å
176K93.4Very high90.5Very high40 Ų4059.5 Ų59.517%0.17432%0.32CS..EExtended strand (participates in β ladder)trans-105.6151.3172.763.9-178.5174.8179.80110.4D135 I136 K137 V167 I168 V170D135-K176 HydrophobicContact CB-CD 4.1Å; D135-K176 WeakPolarHBondContact OD2-CD 3.39Å; D135-K176 VanDerWaalsContact OD2-CE 3.23Å; D135-K176 WeakPolarHBondContact OD2-CE 3.34Å; D135-K176 IonicContact OD2-NZ 2.65Å; D135-K176 PolarHBondContact OD2-NZ 3.14Å; I136-K176 WeakPolarHBondContact O-CA 3.42Å; I136-K176 WeakPolarHBondContact O-CB 3.33Å; K137-K176 HydrophobicContact CG-CB 4.44Å; V167-K176 CarbonylContact C-O 3.59Å; V167-K176 WeakPolarHBondContact CA-O 3.44Å; I168-K176 HydrophobicContact CB-CG 4.06Å; I168-K176 PolarHBondContact N-O 3.35Å; I168-K176 WeakPolarHBondContact O-CG 3.42Å; I168-K176 PolarHBondContact O-N 2.95Å; V170-K176 HydrophobicContact CG2-CB 3.8Å; V170-K176 HydrophobicContact CG2-CD 3.5Å; V170-K176 VanDerWaalsContact CG2-CD 3.5Å; V170-K176 HydrophobicContact CG2-CG 3.48Å; V170-K176 VanDerWaalsContact CG2-CG 3.48Å
177V94.4Very high90Very high0 Ų059.3 Ų59.30%032%0.319CS..EExtended strand (participates in β ladder)trans-94.2117.9171176.20000107.8I136 L145 M148 V167I136-V177 PolarHBondContact N-O 2.82Å; I136-V177 PolarHBondContact O-N 3.1Å; L145-V177 HydrophobicContact CB-CG2 4.05Å; L145-V177 HydrophobicContact CD2-CG2 4.18Å; M148-V177 HydrophobicContact CE-CB 3.68Å; M148-V177 HydrophobicContact CE-CG2 3.25Å; V167-V177 HydrophobicContact CG2-CG2 4.36Å
178Q94.6Very high89.6Confident22 Ų2256.2 Ų56.210%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-96.4120.2169.3-177.1163.497.900108.5I133 L134 D135 S165 K166 I168I133-Q178 VanDerWaalsContact CG2-CD 3.49Å; I133-Q178 HydrophobicContact CG2-CG 3.44Å; I133-Q178 VanDerWaalsContact CG2-CG 3.44Å; L134-Q178 CarbonylContact O-C 3.48Å; L134-Q178 WeakPolarHBondContact O-CA 3.13Å; D135-Q178 VanDerWaalsContact OD1-CB 3.23Å; D135-Q178 WeakPolarHBondContact OD1-CB 3.29Å; D135-Q178 VanDerWaalsContact OD1-CG 3.27Å; D135-Q178 WeakPolarHBondContact OD1-CG 3.23Å; D135-Q178 PolarHBondContact OD1-NE2 3.03Å; S165-Q178 CarbonylContact C-O 3.6Å; S165-Q178 VanDerWaalsContact CA-O 3.26Å; S165-Q178 WeakPolarHBondContact CA-O 3.33Å; K166-Q178 HydrophobicContact CG-CB 3.99Å; K166-Q178 PolarHBondContact N-O 2.92Å; K166-Q178 PolarHBondContact O-N 3.31Å; I168-Q178 HydrophobicContact CD1-CB 3.84Å; I168-Q178 HydrophobicContact CD1-CG 4.41Å; I168-Q178 HydrophobicContact CG1-CB 4.46Å
179I94.9Very high89.2Confident0 Ų055.8 Ų55.80%031%0.307CS..EExtended strand (participates in β ladder)trans-123.5136.5177.8-165.4167.6000110.4L134 I136 I152 R153 W162L134-I179 HydrophobicContact CB-CG2 4.17Å; L134-I179 PolarHBondContact N-O 3.37Å; L134-I179 PolarHBondContact O-N 3.48Å; I136-I179 HydrophobicContact CD1-CB 4.39Å; I136-I179 HydrophobicContact CD1-CG2 3.44Å; I136-I179 VanDerWaalsContact CD1-CG2 3.44Å; I152-I179 HydrophobicContact CG2-CD1 3.99Å; I152-I179 HydrophobicContact CG2-CG2 4.5Å; R153-I179 HydrophobicContact CG-CD1 4.42Å; W162-I179 HydrophobicContact CD2-CD1 4.16Å; W162-I179 HydrophobicContact CE3-CD1 3.54Å; W162-I179 HydrophobicContact CE3-CG1 3.9Å; W162-I179 HydrophobicContact CE3-CG2 4.36Å; W162-I179 HydrophobicContact CZ3-CD1 4.09Å; W162-I179 HydrophobicContact CZ3-CG1 4.35Å; W162-I179 HydrophobicContact CZ3-CG2 3.94Å
180S94.3Very high88.8Confident23 Ų2353 Ų5316%0.16129%0.288CS..EExtended strand (participates in β ladder)trans-95.3144.6170.7172.10000109.6N131 I132 G163 A164N131-S180 PolarHBondContact ND2-OG 3Å; N131-S180 PolarHBondContact OD1-OG 3.21Å; I132-S180 CarbonylContact O-C 3.57Å; I132-S180 WeakPolarHBondContact O-CA 3.14Å; G163-S180 VanDerWaalsContact CA-O 3.28Å; G163-S180 WeakPolarHBondContact CA-O 3.49Å; G163-S180 PolarHBondContact N-O 3Å; A164-S180 PolarHBondContact O-N 3.06Å
181C93.1Very high89Confident0 Ų054.3 Ų54.30%029%0.293CS..EExtended strand (participates in β ladder)trans-138.7154.9169.563.50000110.6N131 I132 L160 L161 W162N131-C181 CarbonylContact C-O 3.49Å; N131-C181 VanDerWaalsContact CA-O 3.3Å; N131-C181 WeakPolarHBondContact CA-O 3.24Å; N131-C181 PolarHBondContact OD1-O 3.07Å; I132-C181 PolarHBondContact N-O 3.39Å; I132-C181 PolarHBondContact O-N 3.19Å; L160-C181 HydrophobicContact CD1-CB 3.82Å; L161-C181 CarbonylContact O-C 3.58Å; L161-C181 WeakPolarHBondContact O-CA 3.39Å; W162-C181 HydrophobicContact CD2-CB 4.36Å; W162-C181 HydrophobicContact CE3-CB 3.58Å; W162-C181 HydrophobicContact CZ3-CB 3.7Å
182V92.3Very high89Confident35 Ų3555 Ų5521%0.21229%0.286CS..EExtended strand (participates in β ladder)trans-112125.2172.1179.40000107.4K129 S130 N131 L161 I215K129-V182 HydrophobicContact CB-CG1 4.18Å; K129-V182 HydrophobicContact CD-CG1 4.38Å; K129-V182 HydrophobicContact CG-CG1 4.49Å; S130-V182 CarbonylContact O-C 3.46Å; S130-V182 WeakPolarHBondContact O-CA 3.24Å; N131-V182 HydrophobicContact CB-CG2 4.47Å; L161-V182 HydrophobicContact CB-CB 4.43Å; L161-V182 PolarHBondContact N-O 3.47Å; L161-V182 PolarHBondContact O-N 3.35Å; V182-I215 HydrophobicContact CG1-CD1 3.8Å
183V91.8Very high89.2Confident1 Ų144.2 Ų44.21%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-115.2148.9177.6-68.50000111.3K129 S130 I132 G159 L160 V188 L193K129-V183 CarbonylContact C-O 3.54Å; K129-V183 WeakPolarHBondContact CA-O 3.35Å; S130-V183 PolarHBondContact N-O 3.47Å; S130-V183 WeakPolarHBondContact O-CG2 3.47Å; S130-V183 PolarHBondContact O-N 2.9Å; I132-V183 HydrophobicContact CD1-CG1 4.19Å; I132-V183 HydrophobicContact CD1-CG2 3.5Å; I132-V183 VanDerWaalsContact CD1-CG2 3.5Å; I132-V183 HydrophobicContact CG1-CG2 4.12Å; G159-V183 CarbonylContact O-C 3.56Å; G159-V183 VanDerWaalsContact O-CA 3.27Å; G159-V183 WeakPolarHBondContact O-CA 3.44Å; L160-V183 HydrophobicContact CD1-CG1 3.67Å; V183-V188 HydrophobicContact CB-CB 4.14Å; V183-V188 HydrophobicContact CB-CG1 4.42Å; V183-V188 HydrophobicContact CG1-CB 4.07Å; V183-V188 HydrophobicContact CG1-CG1 3.83Å; V183-L193 HydrophobicContact CG1-CD1 3.77Å
184E89.4Confident89.4Confident49 Ų4944.2 Ų44.223%0.22923%0.23CC..EExtended strand (participates in β ladder)trans-84.2114.5161.5-62.1-177.5178.300108.8V127 K129 G159 D186 K187 V188V127-E184 HydrophobicContact CG1-CB 4.04Å; V127-E184 HydrophobicContact CG1-CG 3.57Å; K129-E184 HydrophobicContact CG-CG 4.3Å; G159-E184 PolarHBondContact O-N 3.31Å; E184-D186 PolarHBondContact O-N 2.99Å; E184-D186 VanDerWaalsContact O-N 3.1Å; E184-K187 HydrophobicContact CB-CB 4.4Å; E184-K187 PolarHBondContact O-N 3.1Å; E184-K187 VanDerWaalsContact OE2-CD 3.23Å; E184-K187 WeakPolarHBondContact OE2-CD 3.3Å; E184-K187 WeakPolarHBondContact OE2-CE 3.32Å; E184-K187 IonicContact OE2-NZ 2.86Å; E184-K187 PolarHBondContact OE2-NZ 2.92Å; E184-V188 PolarHBondContact O-N 3.46Å
185D85.9Confident89.5Confident46 Ų4647 Ų4725%0.24625%0.245CC..THydrogen-bonded Turntrans-56.5-31.5-173.9-73.90.7000112.2A128 S130 K187 K214A128-D185 HydrophobicContact CB-CB 4.23Å; A128-D185 WeakPolarHBondContact O-CB 3.39Å; A128-D185 PolarHBondContact O-N 2.84Å; S130-D185 WeakPolarHBondContact CB-OD1 3.41Å; S130-D185 VanDerWaalsContact OG-CG 3.24Å; S130-D185 PolarHBondContact OG-OD1 3.32Å; S130-D185 PolarHBondContact OG-OD2 3.15Å; S130-D185 VanDerWaalsContact OG-OD2 3.11Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 3.46Å; D185-K214 IonicContact OD2-NZ 2.96Å; D185-K214 PolarHBondContact OD2-NZ 2.74Å
186D84.4Confident89.4Confident126 Ų12648.4 Ų48.467%0.67425%0.248SC*.THydrogen-bonded Turntrans-73.8-20.5-179.7-75.2-19.6000113.8E184E184-D186 PolarHBondContact O-N 2.99Å; E184-D186 VanDerWaalsContact O-N 3.1Å
187K83.1Confident89.3Confident110 Ų11046.5 Ų46.548%0.47824%0.239SC..THydrogen-bonded Turntrans-114.4-36.5-173.6-64.1-172.3-171.7160.80113.6D158 E184 D185D158-K187 HydrophobicContact CB-CD 4.48Å; D158-K187 IonicContact OD1-NZ 2.75Å; D158-K187 PolarHBondContact OD1-NZ 2.92Å; D158-K187 WeakPolarHBondContact OD2-CD 3.37Å; D158-K187 VanDerWaalsContact OD2-CE 3.23Å; D158-K187 WeakPolarHBondContact OD2-CE 3.48Å; D158-K187 IonicContact OD2-NZ 2.83Å; D158-K187 PolarHBondContact OD2-NZ 3.48Å; E184-K187 HydrophobicContact CB-CB 4.4Å; E184-K187 PolarHBondContact O-N 3.1Å; E184-K187 VanDerWaalsContact OE2-CD 3.23Å; E184-K187 WeakPolarHBondContact OE2-CD 3.3Å; E184-K187 WeakPolarHBondContact OE2-CE 3.32Å; E184-K187 IonicContact OE2-NZ 2.86Å; E184-K187 PolarHBondContact OE2-NZ 2.92Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 3.46Å
188V84.1Confident89Confident4 Ų449.5 Ų49.52%0.02426%0.258CS..  trans-127107-171.8-173.30000109.3T157 D158 V183 E184 F192 L193T157-V188 HydrophobicContact CG2-CG1 4.23Å; T157-V188 HydrophobicContact CG2-CG2 3.6Å; D158-V188 WeakPolarHBondContact O-CG2 3.47Å; V183-V188 HydrophobicContact CB-CB 4.14Å; V183-V188 HydrophobicContact CB-CG1 4.42Å; V183-V188 HydrophobicContact CG1-CB 4.07Å; V183-V188 HydrophobicContact CG1-CG1 3.83Å; E184-V188 PolarHBondContact O-N 3.46Å; V188-F192 HydrophobicContact CG1-CD1 3.82Å; V188-L193 HydrophobicContact CG1-CD2 4.24Å; V188-L193 HydrophobicContact CG1-CG 4.25Å
189G83.6Confident88.8Confident37 Ų3752 Ų5238%0.38128%0.282SS..  trans-76158.6171.400000112.3D191 F192G189-D191 VanDerWaalsContact C-N 3.26Å; G189-D191 PolarHBondContact O-N 3.5Å; G189-F192 WeakPolarHBondContact O-CB 3.24Å; G189-F192 PolarHBondContact O-N 3.04Å
190T84.3Confident88.4Confident41 Ų4152.6 Ų52.625%0.25229%0.285SS..Hα-helixtrans-58.4-39.7173.843.60000111.9I132 F192 L193 E194 I209 F212I132-T190 HydrophobicContact CD1-CG2 3.77Å; T190-F192 VanDerWaalsContact C-N 3.27Å; T190-F192 PolarHBondContact O-N 3.12Å; T190-L193 WeakPolarHBondContact O-CB 3.42Å; T190-L193 PolarHBondContact O-N 2.95Å; T190-E194 PolarHBondContact O-N 3.29Å; T190-I209 HydrophobicContact CG2-CD1 4.42Å; T190-F212 HydrophobicContact CG2-CD2 3.89Å; T190-F212 HydrophobicContact CG2-CE2 3.64Å
191D88.4Confident87.8Confident107 Ų10758.6 Ų58.657%0.57231%0.311SS*.Hα-helixtrans-60.9-37.1-179-50.6-90.8000111.7G189 L193 E194 D195G189-D191 VanDerWaalsContact C-N 3.26Å; G189-D191 PolarHBondContact O-N 3.5Å; D191-L193 VanDerWaalsContact C-N 3.29Å; D191-L193 PolarHBondContact O-N 2.93Å; D191-E194 PolarHBondContact O-N 3.44Å; D191-D195 WeakPolarHBondContact O-CB 3.39Å; D191-D195 VanDerWaalsContact O-CG 3.28Å; D191-D195 PolarHBondContact O-N 3.16Å
192F88.9Confident87.4Confident64 Ų6463.6 Ų63.628%0.28134%0.338SS..Hα-helixtrans-61.5-38.7177173.5-91.4000111.9T157 V188 G189 T190 R196T157-F192 HydrophobicContact CG2-CD1 4.34Å; T157-F192 HydrophobicContact CG2-CE1 3.58Å; T157-F192 HydrophobicContact CG2-CZ 4.14Å; V188-F192 HydrophobicContact CG1-CD1 3.82Å; G189-F192 WeakPolarHBondContact O-CB 3.24Å; G189-F192 PolarHBondContact O-N 3.04Å; T190-F192 VanDerWaalsContact C-N 3.27Å; T190-F192 PolarHBondContact O-N 3.12Å; F192-R196 HydrophobicContact CD1-CG 4.25Å; F192-R196 HydrophobicContact CD2-CG 4.27Å; F192-R196 HydrophobicContact CE1-CG 3.89Å; F192-R196 HydrophobicContact CE2-CG 3.94Å; F192-R196 HydrophobicContact CG-CG 4.44Å; F192-R196 HydrophobicContact CZ-CG 3.74Å; F192-R196 WeakPolarHBondContact O-CB 3.36Å; F192-R196 WeakPolarHBondContact O-CG 3.4Å; F192-R196 PolarHBondContact O-N 3.05Å; F192-R196 VanDerWaalsContact O-N 3.1Å
193L88.3Confident87.1Confident1 Ų163 Ų631%0.00533%0.333CS..Hα-helixtrans-69.5-44.4178.8-64.9176.5000111.1I132 L134 L160 W162 V183 V188 T190 D191 R196 I197I132-L193 HydrophobicContact CD1-CD1 3.81Å; L134-L193 HydrophobicContact CD1-CB 4.41Å; L134-L193 HydrophobicContact CD1-CD1 4.38Å; L160-L193 HydrophobicContact CD1-CD1 4.43Å; L160-L193 HydrophobicContact CD1-CD2 3.67Å; L160-L193 HydrophobicContact CD2-CD2 3.58Å; L160-L193 HydrophobicContact CG-CD2 4.25Å; W162-L193 HydrophobicContact CH2-CD2 4.36Å; V183-L193 HydrophobicContact CG1-CD1 3.77Å; V188-L193 HydrophobicContact CG1-CD2 4.24Å; V188-L193 HydrophobicContact CG1-CG 4.25Å; T190-L193 WeakPolarHBondContact O-CB 3.42Å; T190-L193 PolarHBondContact O-N 2.95Å; D191-L193 VanDerWaalsContact C-N 3.29Å; D191-L193 PolarHBondContact O-N 2.93Å; L193-R196 PolarHBondContact O-N 3.39Å; L193-I197 WeakPolarHBondContact O-CB 3.4Å; L193-I197 WeakPolarHBondContact O-CD1 3.38Å; L193-I197 WeakPolarHBondContact O-CG1 3.46Å; L193-I197 PolarHBondContact O-N 3.02Å
194E89.3Confident87Confident53 Ų5363.1 Ų63.125%0.24833%0.334CS..Hα-helixtrans-61.6-45.7178-68.2178.2109.900111.1T190 D191 R196 I197 T198 V207T190-E194 PolarHBondContact O-N 3.29Å; D191-E194 PolarHBondContact O-N 3.44Å; E194-R196 PolarHBondContact O-N 3.31Å; E194-I197 PolarHBondContact O-N 3.33Å; E194-T198 VanDerWaalsContact O-CB 3.24Å; E194-T198 WeakPolarHBondContact O-CB 3.46Å; E194-T198 PolarHBondContact O-N 3.25Å; E194-T198 PolarHBondContact O-OG1 3.38Å; E194-V207 HydrophobicContact CG-CG1 4.42Å
195D90.5Very high87Confident119 Ų11965.4 Ų65.464%0.63634%0.344SS*.Hα-helixtrans-61.6-45.2178.1-75.7-11.2000112.1D191 A199D191-D195 WeakPolarHBondContact O-CB 3.39Å; D191-D195 VanDerWaalsContact O-CG 3.28Å; D191-D195 PolarHBondContact O-N 3.16Å; D195-A199 WeakPolarHBondContact O-CB 3.41Å; D195-A199 PolarHBondContact O-N 3.01Å
196R89.5Confident87.3Confident138 Ų13864.8 Ų64.852%0.52134%0.344SS..Hα-helixtrans-69.9-35-177.4-71.3-67-171.4164.41113I155 F192 L193 E194I155-R196 HydrophobicContact CD1-CB 3.93Å; I155-R196 HydrophobicContact CG1-CB 4.46Å; I155-R196 HydrophobicContact CG2-CB 3.95Å; I155-R196 HydrophobicContact CG2-CG 4.26Å; F192-R196 HydrophobicContact CD1-CG 4.25Å; F192-R196 HydrophobicContact CD2-CG 4.27Å; F192-R196 HydrophobicContact CE1-CG 3.89Å; F192-R196 HydrophobicContact CE2-CG 3.94Å; F192-R196 HydrophobicContact CG-CG 4.44Å; F192-R196 HydrophobicContact CZ-CG 3.74Å; F192-R196 WeakPolarHBondContact O-CB 3.36Å; F192-R196 WeakPolarHBondContact O-CG 3.4Å; F192-R196 PolarHBondContact O-N 3.05Å; F192-R196 VanDerWaalsContact O-N 3.1Å; L193-R196 PolarHBondContact O-N 3.39Å; E194-R196 PolarHBondContact O-N 3.31Å
197I90.5Very high87.6Confident0 Ų059.7 Ų59.70%032%0.317CS..Hα-helixtrans-76.6-40.9177.2-62.8165.8000110.1L134 I136 I152 I155 W162 L193 E194 A199 I200 V204 V207L134-I197 HydrophobicContact CD1-CD1 3.77Å; I136-I197 HydrophobicContact CG1-CG2 3.96Å; I136-I197 HydrophobicContact CG2-CG2 4.38Å; I152-I197 HydrophobicContact CD1-CG2 4.42Å; I152-I197 HydrophobicContact CG1-CG2 4.28Å; I152-I197 HydrophobicContact CG2-CG1 4.46Å; I155-I197 HydrophobicContact CD1-CG1 4Å; W162-I197 HydrophobicContact CH2-CD1 4.11Å; L193-I197 WeakPolarHBondContact O-CB 3.4Å; L193-I197 WeakPolarHBondContact O-CD1 3.38Å; L193-I197 WeakPolarHBondContact O-CG1 3.46Å; L193-I197 PolarHBondContact O-N 3.02Å; E194-I197 PolarHBondContact O-N 3.33Å; I197-A199 PolarHBondContact O-N 3.31Å; I197-I200 WeakPolarHBondContact O-CB 3.39Å; I197-I200 PolarHBondContact O-N 2.97Å; I197-V204 HydrophobicContact CG2-CG1 4.3Å; I197-V204 HydrophobicContact CG2-CG2 4.1Å; I197-V207 HydrophobicContact CB-CG2 3.86Å; I197-V207 HydrophobicContact CD1-CG1 4.39Å; I197-V207 HydrophobicContact CG2-CG2 3.37Å
198T87.6Confident88.1Confident63 Ų6357.6 Ų57.639%0.38731%0.311SS..Hα-helixtrans-68.2-24.3179.1-50.30000112.1E194 I200 E201E194-T198 VanDerWaalsContact O-CB 3.24Å; E194-T198 WeakPolarHBondContact O-CB 3.46Å; E194-T198 PolarHBondContact O-N 3.25Å; E194-T198 PolarHBondContact O-OG1 3.38Å; T198-I200 PolarHBondContact O-N 3.32Å; T198-I200 VanDerWaalsContact O-N 3.14Å; T198-E201 VanDerWaalsContact O-CG 3.28Å; T198-E201 WeakPolarHBondContact O-CG 3.46Å; T198-E201 PolarHBondContact O-N 3.11Å
199A90Very high88.6Confident74 Ų7460.7 Ų60.761%0.61233%0.327SS*.THydrogen-bonded Turntrans-61.5-16.2170.700000113.9D195 I197 E201D195-A199 WeakPolarHBondContact O-CB 3.41Å; D195-A199 PolarHBondContact O-N 3.01Å; I197-A199 PolarHBondContact O-N 3.31Å; A199-E201 PolarHBondContact O-N 3.09Å; A199-E201 VanDerWaalsContact O-N 3.08Å
200I87.2Confident89Confident13 Ų1362.4 Ų62.47%0.06733%0.33CS..  trans-83.957.3170.8-49.7165.6000108.3Q151 I152 I155 I197 T198 D202 L203 V204Q151-I200 HydrophobicContact CB-CD1 3.8Å; Q151-I200 HydrophobicContact CB-CG2 4.45Å; Q151-I200 VanDerWaalsContact OE1-CG2 3.3Å; I152-I200 HydrophobicContact CG1-CD1 4.14Å; I155-I200 HydrophobicContact CD1-CD1 4.17Å; I197-I200 WeakPolarHBondContact O-CB 3.39Å; I197-I200 PolarHBondContact O-N 2.97Å; T198-I200 PolarHBondContact O-N 3.32Å; T198-I200 VanDerWaalsContact O-N 3.14Å; I200-D202 WeakPolarHBondContact CG2-OD1 3.36Å; I200-D202 PolarHBondContact O-N 3.25Å; I200-D202 VanDerWaalsContact O-N 3.1Å; I200-L203 HydrophobicContact CG2-CB 4.05Å; I200-L203 HydrophobicContact CG2-CD1 4.28Å; I200-L203 HydrophobicContact CG2-CG 4.31Å; I200-L203 PolarHBondContact O-N 3.4Å; I200-V204 HydrophobicContact CB-CG2 4.07Å; I200-V204 HydrophobicContact CG2-CG2 4.35Å; I200-V204 WeakPolarHBondContact O-CB 3.46Å; I200-V204 PolarHBondContact O-N 2.99Å
201E81.9Confident89.4Confident149 Ų14961.8 Ų61.870%0.69633%0.329SS*.THydrogen-bonded Turntrans-62.1-19.3-173.7-64.1-176.6162.700112.9W139 T198 A199W139-E201 PolarHBondContact NE1-O 3.08Å; T198-E201 VanDerWaalsContact O-CG 3.28Å; T198-E201 WeakPolarHBondContact O-CG 3.46Å; T198-E201 PolarHBondContact O-N 3.11Å; A199-E201 PolarHBondContact O-N 3.09Å; A199-E201 VanDerWaalsContact O-N 3.08Å
202D84.8Confident89.6Confident106 Ų10660.6 Ų60.657%0.56732%0.319SS*.THydrogen-bonded Turntrans-71.9-33178.861.1-42.2000113.1I200I200-D202 WeakPolarHBondContact CG2-OD1 3.36Å; I200-D202 PolarHBondContact O-N 3.25Å; I200-D202 VanDerWaalsContact O-N 3.1Å
203L85.8Confident89.8Confident22 Ų2261.8 Ų61.812%0.11533%0.328CS..THydrogen-bonded Turntrans-113.9-29.3-177.5-58.9175.6000112.8P138 T143 E147 M148 Q151 I200P138-L203 VanDerWaalsContact CA-O 3.31Å; P138-L203 WeakPolarHBondContact CA-O 3.32Å; T143-L203 HydrophobicContact CG2-CB 4.31Å; T143-L203 HydrophobicContact CG2-CD2 3.68Å; E147-L203 HydrophobicContact CG-CD1 4.37Å; M148-L203 HydrophobicContact CB-CB 4.2Å; M148-L203 HydrophobicContact CB-CD1 3.95Å; M148-L203 HydrophobicContact CG-CB 3.98Å; M148-L203 HydrophobicContact CG-CD1 4.44Å; M148-L203 HydrophobicContact SD-CB 4.21Å; Q151-L203 VanDerWaalsContact NE2-CD1 3.32Å; I200-L203 HydrophobicContact CG2-CB 4.05Å; I200-L203 HydrophobicContact CG2-CD1 4.28Å; I200-L203 HydrophobicContact CG2-CG 4.31Å; I200-L203 PolarHBondContact O-N 3.4Å
204V90.1Very high89.9Confident4 Ų468.9 Ų68.92%0.02436%0.359CS..EExtended strand (participates in β ladder)trans-101.4123.7-171.6-178.80000111.1I136 W139 M148 I197 I200 V207I136-V204 HydrophobicContact CG2-CB 4.17Å; I136-V204 HydrophobicContact CG2-CG1 3.68Å; I136-V204 HydrophobicContact CG2-CG2 3.59Å; W139-V204 PolarHBondContact NE1-O 3.25Å; M148-V204 HydrophobicContact CG-CG2 4.18Å; M148-V204 HydrophobicContact SD-CG2 3.99Å; I197-V204 HydrophobicContact CG2-CG1 4.3Å; I197-V204 HydrophobicContact CG2-CG2 4.1Å; I200-V204 HydrophobicContact CB-CG2 4.07Å; I200-V204 HydrophobicContact CG2-CG2 4.35Å; I200-V204 WeakPolarHBondContact O-CB 3.46Å; I200-V204 PolarHBondContact O-N 2.99Å; V204-V207 HydrophobicContact CG1-CG2 3.9Å
205Q89.2Confident89.6Confident96 Ų9672.8 Ų72.845%0.44938%0.38SS..EExtended strand (participates in β ladder)trans-85.9-46.8169.7174.9-176.291.300111.5K137 W139K137-Q205 WeakPolarHBondContact O-CB 3.3Å; K137-Q205 PolarHBondContact O-N 3.12Å; W139-Q205 HydrophobicContact CD2-CB 4.05Å; W139-Q205 HydrophobicContact CD2-CG 4.46Å; W139-Q205 HydrophobicContact CE3-CB 4.34Å; W139-Q205 HydrophobicContact CE3-CG 4.27Å; W139-Q205 HydrophobicContact CG-CB 4.31Å; W139-Q205 HydrophobicContact CZ3-CG 4.33Å
206S91.3Very high89.5Confident33 Ų3370.5 Ų70.523%0.23137%0.367CS..EExtended strand (participates in β ladder)trans-154154.1-179.378.90000111.7K137 D208K137-S206 PolarHBondContact N-O 2.95Å; K137-S206 PolarHBondContact O-N 2.89Å; S206-D208 PolarHBondContact OG-OD2 3.34Å
207V92.2Very high89.5Confident19 Ų1966.9 Ų66.912%0.11536%0.359CS..EExtended strand (participates in β ladder)trans-117.2133.1171.3-174.60000107.9L134 D135 E194 I197 V204L134-V207 HydrophobicContact CB-CG1 4.42Å; L134-V207 HydrophobicContact CD2-CG1 3.98Å; D135-V207 CarbonylContact O-C 3.51Å; D135-V207 WeakPolarHBondContact O-CA 3.33Å; E194-V207 HydrophobicContact CG-CG1 4.42Å; I197-V207 HydrophobicContact CB-CG2 3.86Å; I197-V207 HydrophobicContact CD1-CG1 4.39Å; I197-V207 HydrophobicContact CG2-CG2 3.37Å; V204-V207 HydrophobicContact CG1-CG2 3.9Å
208D93.5Very high89.5Confident67 Ų6770.7 Ų70.736%0.35838%0.379SS..EExtended strand (participates in β ladder)trans-127.8133.3176.4-60.1-99.4000110.4L134 D135 K137 S206 V210L134-D208 WeakPolarHBondContact CA-O 3.19Å; D135-D208 HydrophobicContact CB-CB 4.4Å; D135-D208 PolarHBondContact N-O 2.96Å; D135-D208 PolarHBondContact O-N 3.24Å; K137-D208 IonicContact NZ-OD1 3.72Å; K137-D208 IonicContact NZ-OD2 2.57Å; K137-D208 PolarHBondContact NZ-OD2 2.85Å; S206-D208 PolarHBondContact OG-OD2 3.34Å; D208-V210 PolarHBondContact O-N 3.15Å
209I93.3Very high89.6Confident69 Ų6971.1 Ų71.135%0.35438%0.379SS..EExtended strand (participates in β ladder)trans-78114.8171.6-58.6171.1000108.7I132 L134 T190 F212I132-I209 HydrophobicContact CG2-CG2 4.21Å; L134-I209 HydrophobicContact CD2-CG1 3.82Å; T190-I209 HydrophobicContact CG2-CD1 4.42Å; I209-F212 HydrophobicContact CG2-CB 4.49Å
210V92.3Very high89.6Confident73 Ų7370.9 Ų70.944%0.44236%0.364SS..EExtended strand (participates in β ladder)trans-86.6-43.7178.5-178.90000111.2I133 D135 D208I133-V210 HydrophobicContact CB-CB 4.36Å; I133-V210 HydrophobicContact CG2-CB 4.12Å; I133-V210 PolarHBondContact O-N 3.41Å; D135-V210 HydrophobicContact CB-CG2 3.71Å; D135-V210 WeakPolarHBondContact OD1-CG2 3.46Å; D135-V210 WeakPolarHBondContact OD2-CG2 3.45Å; D208-V210 PolarHBondContact O-N 3.15Å
211A92.7Very high89.7Confident27 Ų2774.8 Ų74.822%0.22338%0.384CS..EExtended strand (participates in β ladder)trans-148.6141.3-178.400000110.1I132 I133I132-A211 WeakPolarHBondContact CA-O 3.47Å; I133-A211 HydrophobicContact CB-CB 4.13Å; I133-A211 HydrophobicContact CD1-CB 4.07Å; I133-A211 HydrophobicContact CG1-CB 4.21Å; I133-A211 PolarHBondContact N-O 3.15Å; I133-A211 PolarHBondContact O-N 3.26Å
212F93.3Very high90.3Very high82 Ų8269.5 Ų69.536%0.3636%0.362SS..EExtended strand (participates in β ladder)trans-129.7111173.5-176.4-80.2000107.4S130 I132 T190 I209 K214S130-F212 VanDerWaalsContact CB-CZ 3.43Å; S130-F212 WeakPolarHBondContact OG-CZ 3.17Å; I132-F212 HydrophobicContact CD1-CD2 4.13Å; I132-F212 HydrophobicContact CD1-CE2 3.93Å; I132-F212 HydrophobicContact CG1-CD2 3.68Å; I132-F212 HydrophobicContact CG1-CE2 3.83Å; T190-F212 HydrophobicContact CG2-CD2 3.89Å; T190-F212 HydrophobicContact CG2-CE2 3.64Å; I209-F212 HydrophobicContact CG2-CB 4.49Å; F212-K214 HydrophobicContact CE1-CG 3.89Å
213N92.6Very high90.7Very high89 Ų8966.7 Ų66.748%0.47635%0.346SS..EExtended strand (participates in β ladder)trans-121.1121.2-178.3-65.3-52.4000109.5S130 N131S130-N213 CarbonylContact C-O 3.5Å; S130-N213 WeakPolarHBondContact CA-O 3.16Å; N131-N213 PolarHBondContact N-O 3.18Å; N131-N213 PolarHBondContact O-N 2.96Å
214K89.4Confident91.1Very high151 Ų15170.4 Ų70.466%0.65737%0.365SS*.EExtended strand (participates in β ladder)trans-71.4135.9169.6-65.2-176.7170.2-73.10109.4D185 F212D185-K214 IonicContact OD2-NZ 2.96Å; D185-K214 PolarHBondContact OD2-NZ 2.74Å; F212-K214 HydrophobicContact CE1-CG 3.89Å
215I83.5Confident91.2Very high135 Ų13576.5 Ų76.569%0.69240%0.396SS*.  trans-122.80-179.961.8163.2000112.2K129 N131 V182K129-I215 HydrophobicContact CB-CD1 3.66Å; K129-I215 HydrophobicContact CB-CG1 3.45Å; K129-I215 VanDerWaalsContact CB-CG1 3.45Å; K129-I215 WeakPolarHBondContact O-CG1 3.39Å; K129-I215 PolarHBondContact O-N 2.67Å; K129-I215 VanDerWaalsContact O-O 3.12Å; N131-I215 HydrophobicContact CB-CG2 4.28Å; V182-I215 HydrophobicContact CG1-CD1 3.8Å

Retrieved 215 of 215 residues in 338.6 ms (Link to these results)

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