A0A087YMM9_POEFO Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession A0A087YMM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 209 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
1M41.9Very low79.2Confident212 Ų21275.2 Ų75.2100%1.04440%0.397SS*.  0120.30-69.2-169-80.500107.1N3M1-N3 PolarHBondContact O-N 3.41Å; M1-N3 VanDerWaalsContact O-N 3.1Å
2A54.1Low80.5Confident13 Ų1372.4 Ų72.411%0.10739%0.393CS..  trans-59.8115.4170.100000108.5K4 K103 S185A2-K4 PolarHBondContact O-N 2.83Å; A2-K103 PolarHBondContact O-NZ 2.83Å; A2-S185 WeakPolarHBondContact CB-O 3.01Å
3N72.1Confident81.7Confident122 Ų12269.5 Ų69.565%0.65238%0.376SS*.  trans-67.4124.7-178.4-159.3-1.1000107.7M1 G5 L6 Q7M1-N3 PolarHBondContact O-N 3.41Å; M1-N3 VanDerWaalsContact O-N 3.1Å; N3-G5 PolarHBondContact O-N 3.12Å; N3-G5 VanDerWaalsContact O-N 3.11Å; N3-L6 HydrophobicContact CB-CB 4.37Å; N3-L6 WeakPolarHBondContact O-CB 3.07Å; N3-L6 PolarHBondContact O-N 2.9Å; N3-Q7 PolarHBondContact O-N 3.43Å
4K77.6Confident82.7Confident129 Ų12964.5 Ų64.556%0.56135%0.349SS*.Hα-helixtrans-53.2-36.6-176.6-73.2-177178.2-177.40111.4A2 L6 Q7 I8 K103A2-K4 PolarHBondContact O-N 2.83Å; K4-L6 VanDerWaalsContact C-N 3.34Å; K4-L6 PolarHBondContact O-N 3.04Å; K4-Q7 PolarHBondContact O-N 2.98Å; K4-I8 WeakPolarHBondContact O-CG1 3.02Å; K4-I8 PolarHBondContact O-N 3.48Å; K4-I8 VanDerWaalsContact O-N 3.12Å; K4-K103 HydrophobicContact CG-CD 4.04Å
5G83.3Confident83.6Confident44 Ų4465.5 Ų65.545%0.45435%0.354SS..Hα-helixtrans-61.6-36175.900000114.1N3 L9N3-G5 PolarHBondContact O-N 3.12Å; N3-G5 VanDerWaalsContact O-N 3.11Å; G5-L9 VanDerWaalsContact O-CB 3.24Å; G5-L9 WeakPolarHBondContact O-CB 3.42Å; G5-L9 PolarHBondContact O-N 3.49Å
6L86.1Confident84.5Confident64 Ų6467.5 Ų67.534%0.33536%0.364SS..Hα-helixtrans-68.7-40.2179-169.175000111.7N3 K4 G10 M181N3-L6 HydrophobicContact CB-CB 4.37Å; N3-L6 WeakPolarHBondContact O-CB 3.07Å; N3-L6 PolarHBondContact O-N 2.9Å; K4-L6 VanDerWaalsContact C-N 3.34Å; K4-L6 PolarHBondContact O-N 3.04Å; L6-G10 PolarHBondContact O-N 2.74Å; L6-M181 HydrophobicContact CD1-CB 4.38Å; L6-M181 HydrophobicContact CD1-CE 3.34Å; L6-M181 HydrophobicContact CD1-CG 4.24Å; L6-M181 HydrophobicContact CG-CB 4.32Å; L6-M181 HydrophobicContact CG-CE 4.11Å
7Q87.3Confident85.2Confident5 Ų563.5 Ų63.52%0.02334%0.342CS..Hα-helixtrans-66.2-44.5176.6-75.3-175.2-29.600111.7N3 K4 G10 F11 S185N3-Q7 PolarHBondContact O-N 3.43Å; K4-Q7 PolarHBondContact O-N 2.98Å; Q7-G10 PolarHBondContact O-N 3.04Å; Q7-F11 WeakPolarHBondContact O-CB 3.29Å; Q7-F11 PolarHBondContact O-N 3.12Å; Q7-S185 WeakPolarHBondContact CG-OG 3.41Å
8I89.9Confident85.8Confident90 Ų9060.3 Ų60.346%0.46233%0.325SS..Hα-helixtrans-65.2-45.7179.1-65.8166000110.5K4 F11 A12K4-I8 WeakPolarHBondContact O-CG1 3.02Å; K4-I8 PolarHBondContact O-N 3.48Å; K4-I8 VanDerWaalsContact O-N 3.12Å; I8-F11 PolarHBondContact O-N 3.11Å; I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 3.42Å
9L92.4Very high86.4Confident94 Ų9461.4 Ų61.449%0.49233%0.33SS..Hα-helixtrans-64.1-43.4177.7-176.860.4000111.3G5 F11 A12 L13 M181G5-L9 VanDerWaalsContact O-CB 3.24Å; G5-L9 WeakPolarHBondContact O-CB 3.42Å; G5-L9 PolarHBondContact O-N 3.49Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 3.13Å; L9-A12 PolarHBondContact O-N 2.94Å; L9-L13 HydrophobicContact CD1-CD1 4.37Å; L9-L13 HydrophobicContact CD1-CG 4.35Å; L9-L13 HydrophobicContact CG-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.16Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å; L9-M181 HydrophobicContact CB-CE 3.87Å; L9-M181 HydrophobicContact CD2-CE 3.64Å; L9-M181 HydrophobicContact CG-CE 3.69Å
10G92.9Very high86.9Confident0 Ų059 Ų590%032%0.32CS..Hα-helixtrans-60.4-42.3176.100000112.6L6 Q7 A14 G178L6-G10 PolarHBondContact O-N 2.74Å; Q7-G10 PolarHBondContact O-N 3.04Å; G10-A14 WeakPolarHBondContact O-CB 3.36Å; G10-A14 PolarHBondContact O-N 3.1Å; G10-G178 WeakPolarHBondContact O-CA 3.43Å
11F93.4Very high87.3Confident54 Ų5456.1 Ų56.124%0.23731%0.305CS..Hα-helixtrans-66.2-42.7175.5-171.5-95.2000112.5Q7 I8 L9 L13 A14 L15 M95 M102Q7-F11 WeakPolarHBondContact O-CB 3.29Å; Q7-F11 PolarHBondContact O-N 3.12Å; I8-F11 PolarHBondContact O-N 3.11Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 3.13Å; F11-L13 PolarHBondContact O-N 2.93Å; F11-A14 PolarHBondContact O-N 3.12Å; F11-L15 WeakPolarHBondContact O-CB 3.24Å; F11-L15 PolarHBondContact O-N 3.37Å; F11-M95 HydrophobicContact CE2-CB 4.42Å; F11-M102 HydrophobicContact CB-SD 3.92Å; F11-M102 HydrophobicContact CD1-CE 3.96Å; F11-M102 HydrophobicContact CD1-SD 4.38Å; F11-M102 HydrophobicContact CD2-CE 3.75Å; F11-M102 HydrophobicContact CD2-SD 3.97Å; F11-M102 HydrophobicContact CE1-CE 4.04Å; F11-M102 HydrophobicContact CE2-CE 3.84Å; F11-M102 HydrophobicContact CG-CE 3.81Å; F11-M102 HydrophobicContact CG-SD 3.83Å; F11-M102 HydrophobicContact CZ-CE 3.99Å
12A95.2Very high89.9Confident42 Ų4249.2 Ų49.235%0.34727%0.271SS..Hα-helixtrans-62.8-41.8176.800000112.1I8 L9 L15 L16I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 3.42Å; L9-A12 PolarHBondContact O-N 2.94Å; A12-L15 PolarHBondContact O-N 2.9Å; A12-L16 WeakPolarHBondContact O-CG 3.43Å; A12-L16 PolarHBondContact O-N 3.11Å
13L96.3Very high91.8Very high34 Ų3452.5 Ų52.518%0.17829%0.286CS..Hα-helixtrans-65.3-41.4175.2-70.5170.6000111.9L9 F11 L15 L16 G17 L174 I177 M181L9-L13 HydrophobicContact CD1-CD1 4.37Å; L9-L13 HydrophobicContact CD1-CG 4.35Å; L9-L13 HydrophobicContact CG-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.16Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å; F11-L13 PolarHBondContact O-N 2.93Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.32Å; L13-L16 PolarHBondContact O-N 3.41Å; L13-G17 PolarHBondContact O-N 3.09Å; L13-L174 HydrophobicContact CD2-CD2 3.8Å; L13-I177 HydrophobicContact CD1-CG2 3.86Å; L13-M181 HydrophobicContact CD1-CE 4.48Å; L13-M181 HydrophobicContact CD1-SD 3.63Å
14A95.6Very high92.9Very high0 Ų046.7 Ų46.70%026%0.255CS..Hα-helixtrans-62.4-40.6174.600000111.9G10 F11 G17 V18 M95 I126G10-A14 WeakPolarHBondContact O-CB 3.36Å; G10-A14 PolarHBondContact O-N 3.1Å; F11-A14 PolarHBondContact O-N 3.12Å; A14-G17 PolarHBondContact O-N 3.14Å; A14-V18 PolarHBondContact O-N 3.3Å; A14-M95 HydrophobicContact CB-CG 4.22Å; A14-M95 HydrophobicContact CB-SD 4.2Å; A14-I126 HydrophobicContact CB-CD1 4.11Å; A14-I126 HydrophobicContact CB-CG2 4.48Å
15L96.3Very high93.6Very high79 Ų7940.9 Ų40.941%0.41423%0.23SC..Hα-helixtrans-62.2-49.3176.2-176.270.6000111.7F11 A12 L13 G17 V18 I19 M95F11-L15 WeakPolarHBondContact O-CB 3.24Å; F11-L15 PolarHBondContact O-N 3.37Å; A12-L15 PolarHBondContact O-N 2.9Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.32Å; L15-G17 VanDerWaalsContact C-N 3.26Å; L15-G17 PolarHBondContact O-N 3.15Å; L15-V18 PolarHBondContact O-N 3.47Å; L15-I19 HydrophobicContact CG-CD1 4.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 3.37Å; L15-M95 HydrophobicContact CB-SD 4.46Å; L15-M95 HydrophobicContact CD1-CE 4.5Å; L15-M95 HydrophobicContact CD1-SD 4.48Å
16L97.1Very high94.1Very high98 Ų9843.9 Ų43.951%0.51324%0.235SC..Hα-helixtrans-60.8-38.5174.7-70.7176.2000111.6A12 L13 I19 G20 L174A12-L16 WeakPolarHBondContact O-CG 3.43Å; A12-L16 PolarHBondContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.41Å; L16-I19 PolarHBondContact O-N 3.15Å; L16-G20 PolarHBondContact O-N 3.17Å; L16-L174 HydrophobicContact CB-CD1 4.24Å
17G96.6Very high94.4Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-58.8-48.7175.100000112.4L13 A14 L15 I19 G20 L21 G171L13-G17 PolarHBondContact O-N 3.09Å; A14-G17 PolarHBondContact O-N 3.14Å; L15-G17 VanDerWaalsContact C-N 3.26Å; L15-G17 PolarHBondContact O-N 3.15Å; G17-I19 PolarHBondContact O-N 3.05Å; G17-G20 PolarHBondContact O-N 3.42Å; G17-L21 WeakPolarHBondContact O-CG 3.35Å; G17-L21 PolarHBondContact O-N 2.99Å; G17-G171 WeakPolarHBondContact CA-O 3.32Å; G17-G171 WeakPolarHBondContact O-CA 3.43Å
18V96.7Very high94.5Very high6 Ų644.2 Ų44.24%0.03624%0.239CC..Hα-helixtrans-63.5-41.8177.2170.20000112.3A14 L15 G20 L21 I22 V91 V92 M95A14-V18 PolarHBondContact O-N 3.3Å; L15-V18 PolarHBondContact O-N 3.47Å; V18-G20 VanDerWaalsContact C-N 3.31Å; V18-G20 PolarHBondContact O-N 3.46Å; V18-L21 PolarHBondContact O-N 3.26Å; V18-I22 HydrophobicContact CG1-CD1 3.74Å; V18-I22 HydrophobicContact CG1-CG1 4.31Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.45Å; V18-I22 PolarHBondContact O-N 2.8Å; V18-V91 HydrophobicContact CG2-CB 3.88Å; V18-V91 HydrophobicContact CG2-CG1 3.15Å; V18-V92 HydrophobicContact CG1-CG2 3.86Å; V18-M95 HydrophobicContact CB-CE 3.86Å; V18-M95 HydrophobicContact CB-SD 4.32Å; V18-M95 HydrophobicContact CG1-CE 3.97Å; V18-M95 HydrophobicContact CG2-CE 3.54Å; V18-M95 HydrophobicContact CG2-SD 3.78Å
19I96.9Very high94.6Very high81 Ų8143.1 Ų43.142%0.41523%0.232SC..Hα-helixtrans-59.4-46.1175.3-67.2165.7000110L15 L16 G17 L21 I22 I23L15-I19 HydrophobicContact CG-CD1 4.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 3.37Å; L16-I19 PolarHBondContact O-N 3.15Å; G17-I19 PolarHBondContact O-N 3.05Å; I19-L21 PolarHBondContact O-N 3.35Å; I19-I22 PolarHBondContact O-N 3.22Å; I19-I23 HydrophobicContact CG2-CD1 3.65Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CB 3.36Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.46Å; I19-I23 PolarHBondContact O-N 2.99Å
20G95.8Very high94.5Very high12 Ų1238.7 Ų38.712%0.12421%0.208CC..Hα-helixtrans-59.2-44174.800000112.9L16 G17 V18 I22 I23 G24 I167L16-G20 PolarHBondContact O-N 3.17Å; G17-G20 PolarHBondContact O-N 3.42Å; V18-G20 VanDerWaalsContact C-N 3.31Å; V18-G20 PolarHBondContact O-N 3.46Å; G20-I22 PolarHBondContact O-N 2.89Å; G20-I23 PolarHBondContact O-N 3.5Å; G20-G24 PolarHBondContact O-N 3.46Å; G20-I167 WeakPolarHBondContact O-CG2 3.22Å
21L96Very high94.4Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-63-41.9177.1-70.3176.8000112.6G17 V18 I19 T25 M84 I88 S172G17-L21 WeakPolarHBondContact O-CG 3.35Å; G17-L21 PolarHBondContact O-N 2.99Å; V18-L21 PolarHBondContact O-N 3.26Å; I19-L21 PolarHBondContact O-N 3.35Å; L21-T25 VanDerWaalsContact O-CB 3.31Å; L21-T25 WeakPolarHBondContact O-CB 3.42Å; L21-T25 PolarHBondContact O-N 3.34Å; L21-T25 PolarHBondContact O-OG1 3.29Å; L21-M84 HydrophobicContact CD2-CE 4.12Å; L21-I88 HydrophobicContact CB-CD1 4.43Å; L21-I88 HydrophobicContact CB-CG1 3.98Å; L21-S172 WeakPolarHBondContact CD2-OG 3.42Å
22I96.1Very high94.1Very high66 Ų6640.8 Ų40.834%0.33822%0.219SC..Hα-helixtrans-64.3-49.9177.1-68.9167.9000110.1V18 I19 G20 G24 T25 I26 I88V18-I22 HydrophobicContact CG1-CD1 3.74Å; V18-I22 HydrophobicContact CG1-CG1 4.31Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.45Å; V18-I22 PolarHBondContact O-N 2.8Å; I19-I22 PolarHBondContact O-N 3.22Å; G20-I22 PolarHBondContact O-N 2.89Å; I22-G24 PolarHBondContact O-N 2.91Å; I22-T25 PolarHBondContact O-N 3.31Å; I22-T25 VanDerWaalsContact O-N 3.16Å; I22-I26 HydrophobicContact CG2-CD1 3.68Å; I22-I26 WeakPolarHBondContact O-CG1 3.29Å; I22-I26 PolarHBondContact O-N 3.24Å; I22-I88 HydrophobicContact CG1-CD1 4.21Å; I22-I88 HydrophobicContact CG1-CG2 4.05Å
23I95.5Very high93.5Very high83 Ų8339.5 Ų39.543%0.42621%0.208SC..Hα-helixtrans-59.8-48.9179.1-69.7170.8000110.3I19 G20 T25 I26 L27 I167I19-I23 HydrophobicContact CG2-CD1 3.65Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CB 3.36Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.46Å; I19-I23 PolarHBondContact O-N 2.99Å; G20-I23 PolarHBondContact O-N 3.5Å; I23-T25 VanDerWaalsContact C-N 3.26Å; I23-T25 PolarHBondContact O-N 2.93Å; I23-I26 PolarHBondContact O-N 3.41Å; I23-L27 HydrophobicContact CG2-CD1 3.47Å; I23-L27 VanDerWaalsContact CG2-CD1 3.47Å; I23-L27 HydrophobicContact CG2-CG 4.22Å; I23-L27 WeakPolarHBondContact O-CB 3.4Å; I23-L27 WeakPolarHBondContact O-CD1 3.47Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.06Å; I23-I167 HydrophobicContact CB-CG2 4.48Å; I23-I167 HydrophobicContact CG2-CG2 4.21Å
24G93.6Very high92.3Very high0 Ų039.3 Ų39.30%021%0.211CC..Hα-helixtrans-57.6-38.3176.300000112.3G20 I22 W30G20-G24 PolarHBondContact O-N 3.46Å; I22-G24 PolarHBondContact O-N 2.91Å; G24-W30 PolarHBondContact O-NE1 2.92Å
25T93.6Very high90.7Very high7 Ų743.5 Ų43.54%0.04323%0.229CC..Hα-helixtrans-71.9-34.6-179.8-58.40000113.2L21 I22 I23 L50 W51 M84 I88L21-T25 VanDerWaalsContact O-CB 3.31Å; L21-T25 WeakPolarHBondContact O-CB 3.42Å; L21-T25 PolarHBondContact O-N 3.34Å; L21-T25 PolarHBondContact O-OG1 3.29Å; I22-T25 PolarHBondContact O-N 3.31Å; I22-T25 VanDerWaalsContact O-N 3.16Å; I23-T25 VanDerWaalsContact C-N 3.26Å; I23-T25 PolarHBondContact O-N 2.93Å; T25-L50 HydrophobicContact CG2-CD2 4.22Å; T25-W51 HydrophobicContact CG2-CZ2 4.44Å; T25-W51 PolarHBondContact O-NE1 3.28Å; T25-W51 VanDerWaalsContact O-NE1 3.12Å; T25-M84 HydrophobicContact CG2-CB 4.27Å; T25-M84 WeakPolarHBondContact OG1-CE 3.43Å; T25-I88 HydrophobicContact CG2-CD1 4.38Å; T25-I88 WeakPolarHBondContact OG1-CD1 3.25Å
26I92.8Very high88.8Confident106 Ų10644.7 Ų44.754%0.54424%0.24SC..Hα-helixtrans-84.1-32-176.8-64.8169.2000111.7I22 I23I22-I26 HydrophobicContact CG2-CD1 3.68Å; I22-I26 WeakPolarHBondContact O-CG1 3.29Å; I22-I26 PolarHBondContact O-N 3.24Å; I23-I26 PolarHBondContact O-N 3.41Å
27L92.8Very high86.6Confident45 Ų4541.7 Ų41.724%0.23623%0.232CC..  trans-58.6135-177.1-87.5158.9000112.4I23 Q29 A164 I167I23-L27 HydrophobicContact CG2-CD1 3.47Å; I23-L27 VanDerWaalsContact CG2-CD1 3.47Å; I23-L27 HydrophobicContact CG2-CG 4.22Å; I23-L27 WeakPolarHBondContact O-CB 3.4Å; I23-L27 WeakPolarHBondContact O-CD1 3.47Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.06Å; L27-Q29 PolarHBondContact O-N 3.45Å; L27-Q29 VanDerWaalsContact O-N 3.14Å; L27-A164 HydrophobicContact CB-CB 3.73Å; L27-A164 HydrophobicContact CD1-CB 4.41Å; L27-I167 HydrophobicContact CD1-CD1 3.52Å
28P89.9Confident84.3Confident32 Ų3247.5 Ų47.521%0.20827%0.273CS..SBendtrans-79.612.7178.733.8-36.1000113.8Y47 E48 G49 M52P28-Y47 CarbonylContact O-C 3.54Å; P28-E48 CarbonylContact O-C 3.49Å; P28-E48 PolarHBondContact O-N 3.01Å; P28-G49 VanDerWaalsContact C-CA 3.47Å; P28-G49 WeakPolarHBondContact O-CA 3.15Å; P28-G49 PolarHBondContact O-N 3.36Å; P28-M52 HydrophobicContact CB-CG 3.74Å; P28-M52 HydrophobicContact CB-SD 4.24Å
29Q90.4Very high81.9Confident67 Ų6755 Ų5531%0.31331%0.313SS..  trans-114.152.7-170.6-60.8-171-57.500111.4L27 Y47 G162 S163 A164L27-Q29 PolarHBondContact O-N 3.45Å; L27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-Y47 HydrophobicContact CG-CD1 4.13Å; Q29-G162 CarbonylContact O-C 3.03Å; Q29-G162 WeakPolarHBondContact O-CA 3.34Å; Q29-S163 VanDerWaalsContact CB-OG 3.31Å; Q29-S163 WeakPolarHBondContact CB-OG 3.34Å; Q29-S163 PolarHBondContact O-N 2.92Å; Q29-S163 PolarHBondContact OE1-OG 3.36Å; Q29-A164 WeakPolarHBondContact O-CB 3.29Å; Q29-A164 PolarHBondContact O-N 3.44Å
30W92.1Very high79.8Confident0 Ų055.3 Ų55.30%031%0.314CS..SBendtrans-80.3-39.5173.4-86.268.7000111.5G24 E48 L50 M84 Y140 G162 A164 I165G24-W30 PolarHBondContact O-NE1 2.92Å; W30-E48 WeakPolarHBondContact CA-O 3.38Å; W30-E48 WeakPolarHBondContact CB-O 3.25Å; W30-E48 PolarHBondContact N-O 2.96Å; W30-L50 HydrophobicContact CD2-CD1 3.55Å; W30-L50 HydrophobicContact CE3-CD1 3.82Å; W30-L50 HydrophobicContact CG-CD1 3.98Å; W30-L50 HydrophobicContact CH2-CD1 4.22Å; W30-L50 HydrophobicContact CZ2-CD1 3.97Å; W30-L50 HydrophobicContact CZ2-CD2 4.25Å; W30-L50 HydrophobicContact CZ3-CD1 4.14Å; W30-M84 HydrophobicContact CH2-CE 4.25Å; W30-M84 HydrophobicContact CH2-CG 4.05Å; W30-M84 HydrophobicContact CH2-SD 4.06Å; W30-M84 HydrophobicContact CZ2-CE 4.1Å; W30-M84 HydrophobicContact CZ2-CG 4.28Å; W30-M84 HydrophobicContact CZ2-SD 4.44Å; W30-Y140 HydrophobicContact CB-CE1 3.9Å; W30-Y140 AromaticContact CE3-CD1 3.49Å; W30-Y140 HydrophobicContact CE3-CD1 3.49Å; W30-Y140 VanDerWaalsContact CE3-CD1 3.49Å; W30-Y140 AromaticContact CE3-CE1 3.9Å; W30-Y140 HydrophobicContact CE3-CE1 3.9Å; W30-Y140 AromaticContact CE3-CG 3.97Å; W30-Y140 HydrophobicContact CE3-CG 3.97Å; W30-Y140 HydrophobicContact CZ3-CD1 4.11Å; W30-Y140 HydrophobicContact CZ3-CG 4.19Å; W30-G162 WeakPolarHBondContact O-CA 3.43Å; W30-G162 PolarHBondContact O-N 2.98Å; W30-A164 VanDerWaalsContact CD1-CB 3.49Å; W30-A164 HydrophobicContact CG-CB 4.09Å; W30-I165 HydrophobicContact CB-CG1 4.48Å; W30-I165 HydrophobicContact CD2-CG1 4.03Å; W30-I165 HydrophobicContact CE3-CD1 4.19Å; W30-I165 HydrophobicContact CE3-CG1 3.54Å; W30-I165 HydrophobicContact CG-CG1 4.48Å; W30-I165 HydrophobicContact CZ3-CG1 4.08Å; W30-I165 WeakPolarHBondContact O-CD1 3.42Å; W30-I165 WeakPolarHBondContact O-CG1 3.5Å
31K89.1Confident77.8Confident35 Ų3563.3 Ų63.315%0.15235%0.352CS..EExtended strand (participates in β ladder)trans-138.1150.1170.367.1176.6-175.7169.80110.8E48 I144 Y159 E160K31-E48 HydrophobicContact CD-CB 4.32Å; K31-E48 VanDerWaalsContact CE-CB 3.42Å; K31-E48 WeakPolarHBondContact CE-OE2 3.5Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.02Å; K31-E48 IonicContact NZ-OE1 3.69Å; K31-E48 IonicContact NZ-OE2 2.73Å; K31-E48 PolarHBondContact NZ-OE2 2.9Å; K31-E48 PolarHBondContact O-N 3.23Å; K31-I144 HydrophobicContact CB-CD1 3.83Å; K31-I144 HydrophobicContact CB-CG1 4.31Å; K31-Y159 HydrophobicContact CB-CD1 4.17Å; K31-Y159 HydrophobicContact CB-CG 4.43Å; K31-Y159 HydrophobicContact CD-CD1 3.67Å; K31-Y159 HydrophobicContact CD-CD2 4.2Å; K31-Y159 HydrophobicContact CD-CE1 4.18Å; K31-Y159 HydrophobicContact CD-CG 3.69Å; K31-Y159 HydrophobicContact CG-CD1 3.66Å; K31-Y159 HydrophobicContact CG-CE1 4.24Å; K31-Y159 HydrophobicContact CG-CG 4.11Å; K31-E160 VanDerWaalsContact CA-O 3.31Å; K31-E160 WeakPolarHBondContact CA-O 3.24Å
32M87.6Confident75.8Confident64 Ų6466.3 Ų66.332%0.31537%0.371SS..EExtended strand (participates in β ladder)trans-126.2139-177.9179.7175.7175.700109.7A34 M46 Y47 Y159 E160M32-A34 PolarHBondContact O-N 3.44Å; M32-M46 WeakPolarHBondContact CA-O 3.45Å; M32-Y47 HydrophobicContact CB-CD1 4.17Å; M32-Y47 HydrophobicContact CB-CE1 4.33Å; M32-Y47 HydrophobicContact CE-CE1 3.74Å; M32-Y47 VanDerWaalsContact CE-OH 3.27Å; M32-Y47 WeakPolarHBondContact CE-OH 3.38Å; M32-Y47 HydrophobicContact CG-CD1 3.89Å; M32-Y47 HydrophobicContact CG-CE1 3.64Å; M32-Y47 HydrophobicContact SD-CD1 4.16Å; M32-Y47 HydrophobicContact SD-CE1 3.37Å; M32-Y47 WeakPolarHBondContact SD-CE1 3.35Å; M32-Y159 CarbonylContact O-C 3.46Å; M32-Y159 VanDerWaalsContact O-CA 3.22Å; M32-Y159 WeakPolarHBondContact O-CA 3.22Å; M32-E160 PolarHBondContact N-O 3.49Å; M32-E160 PolarHBondContact O-N 2.91Å
33S83.9Confident73.7Confident15 Ų1565.2 Ų65.211%0.10537%0.372CS..EExtended strand (participates in β ladder)trans-65.6128.9176.957.90000111.6M46S33-M46 PolarHBondContact N-O 2.81Å; S33-M46 PolarHBondContact OG-N 2.79Å; S33-M46 PolarHBondContact OG-O 2.95Å
34A69.8Low72.4Confident30 Ų3062.3 Ų62.325%0.24836%0.358CS..  trans-78.9-23.6-177.800000113.6M32 F148 R158 E160M32-A34 PolarHBondContact O-N 3.44Å; A34-F148 HydrophobicContact CB-CE2 4.21Å; A34-R158 HydrophobicContact CB-CB 4.41Å; A34-R158 PolarHBondContact N-O 2.88Å; A34-E160 HydrophobicContact CB-CG 3.81Å
35F62Low71.6Confident88 Ų8863.3 Ų63.339%0.38637%0.365SS..  trans-115.1125.1-171.8-79.2-88.5000113.1V155 R158F35-V155 WeakPolarHBondContact CD2-O 3.42Å; F35-V155 WeakPolarHBondContact CG-O 3.02Å; F35-R158 HydrophobicContact CD2-CB 4.16Å; F35-R158 HydrophobicContact CE2-CB 4.29Å
36V56Low71.2Confident104 Ų10466.9 Ų66.963%0.6338%0.382SS*.  trans-105.366.5163-168.10000107A43V36-A43 HydrophobicContact CG1-CB 3.61Å
37G51.8Low70.9Confident35 Ų3564.2 Ų64.236%0.36137%0.365SS..  trans-92.2138-170.900000114N39 I40G37-N39 PolarHBondContact O-N 3.43Å; G37-I40 PolarHBondContact O-N 2.88Å
38S47.7Very low70.8Confident121 Ų12163.6 Ų63.685%0.84636%0.361SS*.THydrogen-bonded Turntrans-59.211.2-171.345.50000118.8
39N47.4Very low70.8Confident165 Ų16562.1 Ų62.188%0.88235%0.352SS*.THydrogen-bonded Turntrans-108.87.3178.2-73.3-50.3000113.6G37G37-N39 PolarHBondContact O-N 3.43Å
40I51.6Low70.7Confident87 Ų8758.9 Ų58.945%0.44634%0.337SS..SBendtrans-109.3124.7175.4-47175000107.1G37 T42G37-I40 PolarHBondContact O-N 2.88Å; I40-T42 WeakPolarHBondContact CG2-O 3.4Å; I40-T42 PolarHBondContact O-N 2.93Å
41I53.7Low70.6Confident180 Ų18063.5 Ų63.592%0.92335%0.354SS*.SBendtrans-55.3-11.7-177.6-67.2162.6000112.7
42T53.4Low70.6Confident62 Ų6264.4 Ų64.438%0.3836%0.36SS..SBendtrans-139.2126168.3570000110.5I40 V44 Q57I40-T42 WeakPolarHBondContact CG2-O 3.4Å; I40-T42 PolarHBondContact O-N 2.93Å; T42-V44 PolarHBondContact O-N 2.99Å; T42-V44 VanDerWaalsContact O-N 3.15Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.28Å; T42-Q57 PolarHBondContact OG1-NE2 3.47Å
43A54Low70.7Confident44 Ų4463.1 Ų63.136%0.36436%0.357SS..  trans-65.4112.3165.900000108.9V36 S58V36-A43 HydrophobicContact CG1-CB 3.61Å; A43-S58 WeakPolarHBondContact CB-OG 3.16Å; A43-S58 PolarHBondContact O-N 2.94Å; A43-S58 PolarHBondContact O-OG 3.49Å
44V67.4Low70.9Confident21 Ų2162.9 Ų62.913%0.12736%0.355CS..EExtended strand (participates in β ladder)trans-131.5124.3-177.9177.80000108.3T42 M46 A55 F56 Q57T42-V44 PolarHBondContact O-N 2.99Å; T42-V44 VanDerWaalsContact O-N 3.15Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.28Å; V44-M46 HydrophobicContact CG1-CE 3.89Å; V44-M46 HydrophobicContact CG1-CG 4.22Å; V44-M46 HydrophobicContact CG1-SD 3.68Å; V44-A55 HydrophobicContact CG1-CB 3.74Å; V44-F56 VanDerWaalsContact CA-O 3.26Å; V44-F56 WeakPolarHBondContact CA-O 3.29Å; V44-Q57 HydrophobicContact CG2-CB 4.48Å; V44-Q57 HydrophobicContact CG2-CG 3.85Å
45S77.1Confident71.7Confident22 Ų2262.4 Ų62.415%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-89.9125.8165.953.80000109.4F56S45-F56 PolarHBondContact N-O 3.32Å; S45-F56 PolarHBondContact O-N 3.28Å; S45-F56 WeakPolarHBondContact OG-CB 3.45Å
46M84.1Confident72.7Confident81 Ų8162.2 Ų62.240%0.39935%0.35SS..EExtended strand (participates in β ladder)trans-101.7128.9-178.7-64.2-66.3-157.100109.8M32 S33 V44 A55M32-M46 WeakPolarHBondContact CA-O 3.45Å; S33-M46 PolarHBondContact N-O 2.81Å; S33-M46 PolarHBondContact OG-N 2.79Å; S33-M46 PolarHBondContact OG-O 2.95Å; V44-M46 HydrophobicContact CG1-CE 3.89Å; V44-M46 HydrophobicContact CG1-CG 4.22Å; V44-M46 HydrophobicContact CG1-SD 3.68Å; M46-A55 HydrophobicContact CE-CB 4.2Å; M46-A55 HydrophobicContact SD-CB 3.46Å; M46-A55 WeakPolarHBondContact SD-CB 3.44Å
47Y87.9Confident73.9Confident50 Ų5060 Ų6020%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-114123.5171.9-57.5-89.6000108P28 Q29 M32 S53 C54 F56P28-Y47 CarbonylContact O-C 3.54Å; Q29-Y47 HydrophobicContact CG-CD1 4.13Å; M32-Y47 HydrophobicContact CB-CD1 4.17Å; M32-Y47 HydrophobicContact CB-CE1 4.33Å; M32-Y47 HydrophobicContact CE-CE1 3.74Å; M32-Y47 VanDerWaalsContact CE-OH 3.27Å; M32-Y47 WeakPolarHBondContact CE-OH 3.38Å; M32-Y47 HydrophobicContact CG-CD1 3.89Å; M32-Y47 HydrophobicContact CG-CE1 3.64Å; M32-Y47 HydrophobicContact SD-CD1 4.16Å; M32-Y47 HydrophobicContact SD-CE1 3.37Å; M32-Y47 WeakPolarHBondContact SD-CE1 3.35Å; Y47-S53 CarbonylContact O-C 3.54Å; Y47-S53 WeakPolarHBondContact O-CA 3.34Å; Y47-C54 PolarHBondContact N-O 2.98Å; Y47-C54 PolarHBondContact O-N 2.91Å; Y47-F56 HydrophobicContact CE2-CB 4.2Å
48E88.9Confident74.9Confident33 Ų3362.7 Ų62.715%0.15435%0.347CS..EExtended strand (participates in β ladder)trans-112.8125.5175.5-70.8-175.1-150.300110P28 W30 K31 Y159P28-E48 CarbonylContact O-C 3.49Å; P28-E48 PolarHBondContact O-N 3.01Å; W30-E48 WeakPolarHBondContact CA-O 3.38Å; W30-E48 WeakPolarHBondContact CB-O 3.25Å; W30-E48 PolarHBondContact N-O 2.96Å; K31-E48 HydrophobicContact CD-CB 4.32Å; K31-E48 VanDerWaalsContact CE-CB 3.42Å; K31-E48 WeakPolarHBondContact CE-OE2 3.5Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.02Å; K31-E48 IonicContact NZ-OE1 3.69Å; K31-E48 IonicContact NZ-OE2 2.73Å; K31-E48 PolarHBondContact NZ-OE2 2.9Å; K31-E48 PolarHBondContact O-N 3.23Å; E48-Y159 HydrophobicContact CG-CE1 4.3Å; E48-Y159 VanDerWaalsContact OE1-CZ 3.29Å; E48-Y159 PolarHBondContact OE1-OH 3.12Å
49G90.8Very high76.2Confident0 Ų061.8 Ų61.80%034%0.336CS..  trans-99.3-176.6174.600000112.6P28 M52P28-G49 VanDerWaalsContact C-CA 3.47Å; P28-G49 WeakPolarHBondContact O-CA 3.15Å; P28-G49 PolarHBondContact O-N 3.36Å; G49-M52 WeakPolarHBondContact CA-O 3.44Å; G49-M52 PolarHBondContact N-O 3.47Å
50L88.5Confident77.6Confident0 Ų056.4 Ų56.40%032%0.319CS..SBendtrans-66-43.9166.5-118.964.7000110.8T25 W30 R81 M84T25-L50 HydrophobicContact CG2-CD2 4.22Å; W30-L50 HydrophobicContact CD2-CD1 3.55Å; W30-L50 HydrophobicContact CE3-CD1 3.82Å; W30-L50 HydrophobicContact CG-CD1 3.98Å; W30-L50 HydrophobicContact CH2-CD1 4.22Å; W30-L50 HydrophobicContact CZ2-CD1 3.97Å; W30-L50 HydrophobicContact CZ2-CD2 4.25Å; W30-L50 HydrophobicContact CZ3-CD1 4.14Å; L50-R81 HydrophobicContact CB-CG 4.31Å; L50-R81 HydrophobicContact CD2-CB 4.32Å; L50-R81 HydrophobicContact CD2-CG 3.85Å; L50-R81 HydrophobicContact CG-CG 3.63Å; L50-R81 PolarHBondContact O-NE 3.37Å; L50-R81 PolarHBondContact O-NH2 2.82Å; L50-M84 HydrophobicContact CD2-CB 4.15Å; L50-M84 HydrophobicContact CD2-CG 4.06Å
51W89.8Confident79Confident96 Ų9657.5 Ų57.536%0.36432%0.323SS..SBendtrans-107.6-19.4-169.7-56.494.4000115.9T25 Y67 V85T25-W51 HydrophobicContact CG2-CZ2 4.44Å; T25-W51 PolarHBondContact O-NE1 3.28Å; T25-W51 VanDerWaalsContact O-NE1 3.12Å; W51-Y67 VanDerWaalsContact C-CD2 3.49Å; W51-Y67 VanDerWaalsContact O-CD2 3.31Å; W51-Y67 WeakPolarHBondContact O-CD2 3.38Å; W51-Y67 PolarHBondContact O-N 3.46Å; W51-V85 HydrophobicContact CH2-CG2 4.05Å; W51-V85 HydrophobicContact CZ2-CG2 3.78Å
52M89.4Confident80.5Confident55 Ų5554 Ų5427%0.27130%0.304SS..EExtended strand (participates in β ladder)trans-148.7157.4-175.866.7-172.675.400110P28 G49 C64 K65 V66P28-M52 HydrophobicContact CB-CG 3.74Å; P28-M52 HydrophobicContact CB-SD 4.24Å; G49-M52 WeakPolarHBondContact CA-O 3.44Å; G49-M52 PolarHBondContact N-O 3.47Å; M52-C64 HydrophobicContact SD-CB 4.47Å; M52-K65 WeakPolarHBondContact CA-O 3.38Å; M52-K65 WeakPolarHBondContact CB-O 3.31Å; M52-V66 HydrophobicContact CB-CG2 4.36Å
53S88.5Confident82.1Confident37 Ų3756.4 Ų56.426%0.25931%0.312SS..EExtended strand (participates in β ladder)trans-111.2141.6167.258.30000109.6Y47 C64 K65Y47-S53 CarbonylContact O-C 3.54Å; Y47-S53 WeakPolarHBondContact O-CA 3.34Å; S53-C64 CarbonylContact O-C 3.08Å; S53-C64 WeakPolarHBondContact O-CA 3.18Å; S53-K65 PolarHBondContact N-O 2.82Å; S53-K65 PolarHBondContact O-N 3.26Å
54C88.9Confident83.7Confident10 Ų1057.7 Ų57.77%0.06832%0.317CS..EExtended strand (participates in β ladder)trans-123.2131.6178.1-63.70000109.8Y47 Q63 C64Y47-C54 PolarHBondContact N-O 2.98Å; Y47-C54 PolarHBondContact O-N 2.91Å; C54-Q63 CarbonylContact C-O 3.59Å; C54-Q63 WeakPolarHBondContact CA-O 3.21Å; C54-C64 HydrophobicContact CB-CB 4.18Å; C54-C64 WeakPolarHBondContact CB-SG 3.24Å; C54-C64 WeakPolarHBondContact SG-CB 3.33Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 2.81Å
55A86.6Confident84.7Confident20 Ų2062.5 Ų62.517%0.16534%0.336CS..EExtended strand (participates in β ladder)trans-108.6124.8175.200000108.9V44 M46 Q63V44-A55 HydrophobicContact CG1-CB 3.74Å; M46-A55 HydrophobicContact CE-CB 4.2Å; M46-A55 HydrophobicContact SD-CB 3.46Å; M46-A55 WeakPolarHBondContact SD-CB 3.44Å; A55-Q63 PolarHBondContact N-O 3.41Å; A55-Q63 PolarHBondContact O-N 3.29Å
56F83.1Confident85.2Confident84 Ų8465.8 Ų65.837%0.36836%0.355SS..EExtended strand (participates in β ladder)trans-100.3116.2171.5-169.3-78.3000108.7V44 S45 Y47 I62V44-F56 VanDerWaalsContact CA-O 3.26Å; V44-F56 WeakPolarHBondContact CA-O 3.29Å; S45-F56 PolarHBondContact N-O 3.32Å; S45-F56 PolarHBondContact O-N 3.28Å; S45-F56 WeakPolarHBondContact OG-CB 3.45Å; Y47-F56 HydrophobicContact CE2-CB 4.2Å; F56-I62 HydrophobicContact CD2-CD1 3.67Å; F56-I62 HydrophobicContact CD2-CG1 3.3Å; F56-I62 HydrophobicContact CE2-CD1 3.82Å; F56-I62 HydrophobicContact CE2-CG1 3.71Å; F56-I62 HydrophobicContact CG-CG1 4.26Å
57Q80.3Confident85.2Confident56 Ų5664.1 Ų64.126%0.26235%0.345SS..EExtended strand (participates in β ladder)trans-99.2150.9-176.3-149130.638.800110.7T42 V44 T59 G60 Q61T42-Q57 PolarHBondContact OG1-NE2 3.47Å; V44-Q57 HydrophobicContact CG2-CB 4.48Å; V44-Q57 HydrophobicContact CG2-CG 3.85Å; Q57-T59 PolarHBondContact O-N 3.38Å; Q57-G60 PolarHBondContact O-N 2.91Å; Q57-Q61 PolarHBondContact N-O 3.45Å
58S73.4Confident84.4Confident93 Ų9367.6 Ų67.665%0.6537%0.367SS*.THydrogen-bonded Turntrans-59.3-16.6-179.6-61.60000114.5A43 G60A43-S58 WeakPolarHBondContact CB-OG 3.16Å; A43-S58 PolarHBondContact O-N 2.94Å; A43-S58 PolarHBondContact O-OG 3.49Å; S58-G60 PolarHBondContact O-N 3.22Å
59T75.9Confident83.3Confident101 Ų10169.2 Ų69.262%0.6238%0.382SS*.THydrogen-bonded Turntrans-73.30.517253.90000113.4Q57 Q61Q57-T59 PolarHBondContact O-N 3.38Å; T59-Q61 VanDerWaalsContact C-N 3.26Å; T59-Q61 PolarHBondContact O-N 3.04Å
60G76.1Confident81.8Confident52 Ų5273.7 Ų73.754%0.53640%0.404SS..SBendtrans79.35.9-176.500000113.9Q57 S58Q57-G60 PolarHBondContact O-N 2.91Å; S58-G60 PolarHBondContact O-N 3.22Å
61Q81.9Confident80.1Confident111 Ų11182 Ų8252%0.51945%0.447SS..  trans-87.4133.5178-66.8-178.2-41.800111.1Q57 T59Q57-Q61 PolarHBondContact N-O 3.45Å; T59-Q61 VanDerWaalsContact C-N 3.26Å; T59-Q61 PolarHBondContact O-N 3.04Å
62I84.2Confident78.3Confident105 Ų10585.7 Ų85.754%0.53847%0.469SS..EExtended strand (participates in β ladder)trans-102123.7168.3-71.8168.8000108.2F56F56-I62 HydrophobicContact CD2-CD1 3.67Å; F56-I62 HydrophobicContact CD2-CG1 3.3Å; F56-I62 HydrophobicContact CE2-CD1 3.82Å; F56-I62 HydrophobicContact CE2-CG1 3.71Å; F56-I62 HydrophobicContact CG-CG1 4.26Å
63Q86.4Confident77.2Confident114 Ų11484.7 Ų84.753%0.53346%0.464SS..EExtended strand (participates in β ladder)trans-116.4112.1173.9-64.4-64.8-29.300108.5C54 A55C54-Q63 CarbonylContact C-O 3.59Å; C54-Q63 WeakPolarHBondContact CA-O 3.21Å; A55-Q63 PolarHBondContact N-O 3.41Å; A55-Q63 PolarHBondContact O-N 3.29Å
64C89.4Confident76.5Confident70 Ų7086.9 Ų86.947%0.47347%0.473SS..EExtended strand (participates in β ladder)trans-105.2129.1175-66.90000109.8M52 S53 C54M52-C64 HydrophobicContact SD-CB 4.47Å; S53-C64 CarbonylContact O-C 3.08Å; S53-C64 WeakPolarHBondContact O-CA 3.18Å; C54-C64 HydrophobicContact CB-CB 4.18Å; C54-C64 WeakPolarHBondContact CB-SG 3.24Å; C54-C64 WeakPolarHBondContact SG-CB 3.33Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 2.81Å
65K87.9Confident76.1Confident122 Ų12290.8 Ų90.853%0.5350%0.5SS..EExtended strand (participates in β ladder)trans-121.8126.7178.4-173.5173.1178.9-1760110M52 S53 D68M52-K65 WeakPolarHBondContact CA-O 3.38Å; M52-K65 WeakPolarHBondContact CB-O 3.31Å; S53-K65 PolarHBondContact N-O 2.82Å; S53-K65 PolarHBondContact O-N 3.26Å; K65-D68 WeakPolarHBondContact CE-OD2 3.34Å; K65-D68 IonicContact NZ-OD2 2.74Å; K65-D68 PolarHBondContact NZ-OD2 3.45Å
66V88.1Confident75.8Confident92 Ų9290.2 Ų90.256%0.55850%0.496SS*.EExtended strand (participates in β ladder)trans-72.4143.3171-178.50000108.5M52 D68M52-V66 HydrophobicContact CB-CG2 4.36Å; V66-D68 PolarHBondContact O-N 3.43Å; V66-D68 VanDerWaalsContact O-N 3.12Å
67Y83.8Confident75.9Confident45 Ų4586.5 Ų86.518%0.17648%0.48CS..  trans-67.6111.9178.7-64.8-76.7000110.7W51 S69 L73W51-Y67 VanDerWaalsContact C-CD2 3.49Å; W51-Y67 VanDerWaalsContact O-CD2 3.31Å; W51-Y67 WeakPolarHBondContact O-CD2 3.38Å; W51-Y67 PolarHBondContact O-N 3.46Å; Y67-S69 PolarHBondContact O-N 3.02Å; Y67-L73 HydrophobicContact CD1-CD1 3.6Å; Y67-L73 HydrophobicContact CD1-CD2 4.28Å; Y67-L73 HydrophobicContact CD2-CD2 4.18Å; Y67-L73 HydrophobicContact CE1-CD1 3.6Å; Y67-L73 HydrophobicContact CG-CD1 4.2Å; Y67-L73 HydrophobicContact CG-CD2 4.04Å
68D69.7Low76.3Confident124 Ų12488.2 Ų88.266%0.66349%0.488SS*.SBendtrans-67.6-31.5-175.3-65.1-38.5000113.5K65 V66K65-D68 WeakPolarHBondContact CE-OD2 3.34Å; K65-D68 IonicContact NZ-OD2 2.74Å; K65-D68 PolarHBondContact NZ-OD2 3.45Å; V66-D68 PolarHBondContact O-N 3.43Å; V66-D68 VanDerWaalsContact O-N 3.12Å
69S66.5Low76.9Confident66 Ų6685.8 Ų85.846%0.46247%0.473SS..  trans-131.2114.7-175.3-69.90000111.8Y67 L71Y67-S69 PolarHBondContact O-N 3.02Å; S69-L71 PolarHBondContact O-N 2.92Å
70M58.7Low77.7Confident95 Ų9581 Ų8147%0.46844%0.444SS..G310 helixtrans-63.8-27.9175.5-60.7-72.1-9500112.5R81M70-R81 PolarHBondContact SD-NH1 3.34Å
71L54Low78.4Confident173 Ų17379 Ų7991%0.90642%0.421SS*.G310 helixtrans-78.5-18.5-173.6-146.476.7000114S69S69-L71 PolarHBondContact O-N 2.92Å
72Q52.6Low78.9Confident175 Ų17576.4 Ų76.482%0.81842%0.417SS*.G310 helixtrans-96.50.3179.9-160.6173.5-600112.1
73L64.8Low79.3Confident33 Ų3374 Ų7417%0.17341%0.406CS..SBendtrans-96.7147.8-172.9-15663.1000111.3Y67 S75 L77Y67-L73 HydrophobicContact CD1-CD1 3.6Å; Y67-L73 HydrophobicContact CD1-CD2 4.28Å; Y67-L73 HydrophobicContact CD2-CD2 4.18Å; Y67-L73 HydrophobicContact CE1-CD1 3.6Å; Y67-L73 HydrophobicContact CG-CD1 4.2Å; Y67-L73 HydrophobicContact CG-CD2 4.04Å; L73-S75 PolarHBondContact O-N 3.47Å; L73-L77 HydrophobicContact CD1-CD1 4.34Å; L73-L77 HydrophobicContact CD2-CD1 4.1Å; L73-L77 HydrophobicContact CD2-CD2 3.56Å; L73-L77 HydrophobicContact CD2-CG 4.3Å; L73-L77 HydrophobicContact CG-CB 4.49Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 HydrophobicContact CG-CD2 4.3Å
74N75.1Confident79.7Confident84 Ų8468.6 Ų68.645%0.44938%0.38SS..  trans-52.3131.2-178.7-174.35.7000111.1A76 L77 Q78N74-A76 PolarHBondContact O-N 3.48Å; N74-A76 PolarHBondContact OD1-N 2.93Å; N74-L77 HydrophobicContact CB-CB 4.4Å; N74-L77 WeakPolarHBondContact O-CA 3.47Å; N74-L77 WeakPolarHBondContact O-CB 3.31Å; N74-L77 PolarHBondContact O-N 3.23Å; N74-Q78 PolarHBondContact O-N 2.84Å; N74-Q78 VanDerWaalsContact O-N 3.15Å
75S78.8Confident80Confident91 Ų9167.9 Ų67.964%0.63637%0.374SS*.Hα-helixtrans-57.4-33.6-178.9560000112.2L73 L77 Q78 A79L73-S75 PolarHBondContact O-N 3.47Å; S75-L77 VanDerWaalsContact C-N 3.32Å; S75-L77 PolarHBondContact O-N 2.93Å; S75-Q78 PolarHBondContact O-N 3.43Å; S75-A79 WeakPolarHBondContact O-CB 3.37Å; S75-A79 PolarHBondContact O-N 3.48Å
76A81.1Confident80.3Confident9 Ų965.8 Ų65.87%0.07437%0.371CS..Hα-helixtrans-61.2-39.1173.800000112.4N74 T80N74-A76 PolarHBondContact O-N 3.48Å; N74-A76 PolarHBondContact OD1-N 2.93Å; A76-T80 WeakPolarHBondContact O-CG2 3.34Å; A76-T80 PolarHBondContact O-N 2.99Å; A76-T80 PolarHBondContact O-OG1 2.98Å
77L85Confident80.7Confident5 Ų561.4 Ų61.43%0.02634%0.344CS..Hα-helixtrans-72.3-39.3179.5-161.6163.4000111L73 N74 S75 T80 R81 Y140L73-L77 HydrophobicContact CD1-CD1 4.34Å; L73-L77 HydrophobicContact CD2-CD1 4.1Å; L73-L77 HydrophobicContact CD2-CD2 3.56Å; L73-L77 HydrophobicContact CD2-CG 4.3Å; L73-L77 HydrophobicContact CG-CB 4.49Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 HydrophobicContact CG-CD2 4.3Å; N74-L77 HydrophobicContact CB-CB 4.4Å; N74-L77 WeakPolarHBondContact O-CA 3.47Å; N74-L77 WeakPolarHBondContact O-CB 3.31Å; N74-L77 PolarHBondContact O-N 3.23Å; S75-L77 VanDerWaalsContact C-N 3.32Å; S75-L77 PolarHBondContact O-N 2.93Å; L77-T80 WeakPolarHBondContact CA-OG1 3.46Å; L77-T80 PolarHBondContact O-N 3.46Å; L77-T80 PolarHBondContact O-OG1 3.26Å; L77-R81 HydrophobicContact CD2-CG 4.02Å; L77-R81 VanDerWaalsContact CD2-CZ 3.5Å; L77-R81 WeakPolarHBondContact O-CG 3.4Å; L77-R81 PolarHBondContact O-N 2.99Å; L77-Y140 HydrophobicContact CB-CE2 4.3Å; L77-Y140 HydrophobicContact CG-CE2 4.2Å
78Q88Confident81.3Confident92 Ų9260.5 Ų60.543%0.4334%0.342SS..Hα-helixtrans-65.6-41.7175.2-1711760.400112N74 S75 R81 A82N74-Q78 PolarHBondContact O-N 2.84Å; N74-Q78 VanDerWaalsContact O-N 3.15Å; S75-Q78 PolarHBondContact O-N 3.43Å; Q78-R81 PolarHBondContact O-N 3.28Å; Q78-A82 PolarHBondContact O-N 3.06Å; Q78-A82 VanDerWaalsContact O-N 3.1Å
79A87.6Confident82.6Confident43 Ų4359.8 Ų59.836%0.35534%0.337SS..Hα-helixtrans-62.1-43.6175.700000111.5S75 A82 L83S75-A79 WeakPolarHBondContact O-CB 3.37Å; S75-A79 PolarHBondContact O-N 3.48Å; A79-A82 PolarHBondContact O-N 3.37Å; A79-L83 VanDerWaalsContact O-CG 3.29Å; A79-L83 WeakPolarHBondContact O-CG 3.4Å; A79-L83 PolarHBondContact O-N 2.99Å
80T90.9Very high84.1Confident1 Ų158.7 Ų58.71%0.00633%0.328CS..Hα-helixtrans-68.5-37.3179.957.70000112.1A76 L77 A82 L83 M84 Y140A76-T80 WeakPolarHBondContact O-CG2 3.34Å; A76-T80 PolarHBondContact O-N 2.99Å; A76-T80 PolarHBondContact O-OG1 2.98Å; L77-T80 WeakPolarHBondContact CA-OG1 3.46Å; L77-T80 PolarHBondContact O-N 3.46Å; L77-T80 PolarHBondContact O-OG1 3.26Å; T80-A82 PolarHBondContact O-N 3.47Å; T80-L83 PolarHBondContact O-N 3.13Å; T80-M84 WeakPolarHBondContact O-CB 3.35Å; T80-M84 WeakPolarHBondContact O-CG 3.43Å; T80-M84 PolarHBondContact O-N 2.97Å; T80-Y140 HydrophobicContact CG2-CD2 3.96Å; T80-Y140 HydrophobicContact CG2-CG 4.31Å
81R91.7Very high85.9Confident10 Ų1054.1 Ų54.14%0.03831%0.305CS..Hα-helixtrans-54.3-52.5168.9-75175.5-178.8175.21.8111.7L50 M70 L77 Q78 L83 M84 V85L50-R81 HydrophobicContact CB-CG 4.31Å; L50-R81 HydrophobicContact CD2-CB 4.32Å; L50-R81 HydrophobicContact CD2-CG 3.85Å; L50-R81 HydrophobicContact CG-CG 3.63Å; L50-R81 PolarHBondContact O-NE 3.37Å; L50-R81 PolarHBondContact O-NH2 2.82Å; M70-R81 PolarHBondContact SD-NH1 3.34Å; L77-R81 HydrophobicContact CD2-CG 4.02Å; L77-R81 VanDerWaalsContact CD2-CZ 3.5Å; L77-R81 WeakPolarHBondContact O-CG 3.4Å; L77-R81 PolarHBondContact O-N 2.99Å; Q78-R81 PolarHBondContact O-N 3.28Å; R81-L83 PolarHBondContact O-N 3.48Å; R81-M84 PolarHBondContact O-N 2.88Å; R81-V85 VanDerWaalsContact O-CG2 3.31Å; R81-V85 WeakPolarHBondContact O-CG2 3.49Å; R81-V85 PolarHBondContact O-N 3.31Å
82A91.8Very high87.9Confident55 Ų5549.2 Ų49.246%0.45528%0.282SS..Hα-helixtrans-61.2-46.6-177.700000111.2Q78 A79 T80 M84 V85 V86Q78-A82 PolarHBondContact O-N 3.06Å; Q78-A82 VanDerWaalsContact O-N 3.1Å; A79-A82 PolarHBondContact O-N 3.37Å; T80-A82 PolarHBondContact O-N 3.47Å; A82-M84 PolarHBondContact O-N 3.34Å; A82-V85 PolarHBondContact O-N 3.36Å; A82-V86 WeakPolarHBondContact O-CB 3.27Å; A82-V86 VanDerWaalsContact O-CG2 3.22Å; A82-V86 WeakPolarHBondContact O-CG2 3.36Å; A82-V86 PolarHBondContact O-N 2.88Å
83L93.2Very high89.9Confident56 Ų5643.7 Ų43.729%0.29327%0.266SS..Hα-helixtrans-64.7-40178.8-66.5169.6000112.4A79 T80 R81 S87 C132 A136A79-L83 VanDerWaalsContact O-CG 3.29Å; A79-L83 WeakPolarHBondContact O-CG 3.4Å; A79-L83 PolarHBondContact O-N 2.99Å; T80-L83 PolarHBondContact O-N 3.13Å; R81-L83 PolarHBondContact O-N 3.48Å; L83-S87 WeakPolarHBondContact O-CB 3.49Å; L83-S87 PolarHBondContact O-N 3.34Å; L83-S87 PolarHBondContact O-OG 2.89Å; L83-C132 VanDerWaalsContact CD2-SG 3.52Å; L83-A136 HydrophobicContact CB-CB 3.62Å; L83-A136 HydrophobicContact CD1-CB 4.09Å
84M94.9Very high91.4Very high0 Ų042.1 Ų42.10%026%0.258CS..Hα-helixtrans-66-42.9176.6-70.9-61.2-66.700111.8L21 T25 W30 L50 T80 R81 A82 S87 I88 A136L21-M84 HydrophobicContact CD2-CE 4.12Å; T25-M84 HydrophobicContact CG2-CB 4.27Å; T25-M84 WeakPolarHBondContact OG1-CE 3.43Å; W30-M84 HydrophobicContact CH2-CE 4.25Å; W30-M84 HydrophobicContact CH2-CG 4.05Å; W30-M84 HydrophobicContact CH2-SD 4.06Å; W30-M84 HydrophobicContact CZ2-CE 4.1Å; W30-M84 HydrophobicContact CZ2-CG 4.28Å; W30-M84 HydrophobicContact CZ2-SD 4.44Å; L50-M84 HydrophobicContact CD2-CB 4.15Å; L50-M84 HydrophobicContact CD2-CG 4.06Å; T80-M84 WeakPolarHBondContact O-CB 3.35Å; T80-M84 WeakPolarHBondContact O-CG 3.43Å; T80-M84 PolarHBondContact O-N 2.97Å; R81-M84 PolarHBondContact O-N 2.88Å; A82-M84 PolarHBondContact O-N 3.34Å; M84-S87 WeakPolarHBondContact CA-OG 3.37Å; M84-S87 PolarHBondContact O-OG 3.37Å; M84-I88 WeakPolarHBondContact O-CD1 3.49Å; M84-I88 VanDerWaalsContact O-CG1 3.25Å; M84-I88 WeakPolarHBondContact O-CG1 3.28Å; M84-I88 PolarHBondContact O-N 2.83Å; M84-A136 HydrophobicContact CG-CB 4.11Å; M84-A136 HydrophobicContact SD-CB 3.93Å
85V95.4Very high92.3Very high54 Ų5439.1 Ų39.133%0.32724%0.242SC..Hα-helixtrans-67.1-47177.7173.70000111.3W51 R81 A82 S87 I88 I89W51-V85 HydrophobicContact CH2-CG2 4.05Å; W51-V85 HydrophobicContact CZ2-CG2 3.78Å; R81-V85 VanDerWaalsContact O-CG2 3.31Å; R81-V85 WeakPolarHBondContact O-CG2 3.49Å; R81-V85 PolarHBondContact O-N 3.31Å; A82-V85 PolarHBondContact O-N 3.36Å; V85-S87 PolarHBondContact O-N 2.91Å; V85-I88 PolarHBondContact O-N 2.82Å; V85-I89 HydrophobicContact CG1-CD1 3.9Å; V85-I89 WeakPolarHBondContact O-CG1 3.4Å; V85-I89 PolarHBondContact O-N 3.16Å
86V95.6Very high92.9Very high78 Ų7836.8 Ų36.847%0.47323%0.232SC..Hα-helixtrans-62.3-43.8178.6171.50000110.7A82 I88 I89 V90A82-V86 WeakPolarHBondContact O-CB 3.27Å; A82-V86 VanDerWaalsContact O-CG2 3.22Å; A82-V86 WeakPolarHBondContact O-CG2 3.36Å; A82-V86 PolarHBondContact O-N 2.88Å; V86-I88 PolarHBondContact O-N 3.25Å; V86-I89 PolarHBondContact O-N 3.48Å; V86-V90 HydrophobicContact CG1-CG2 4.19Å; V86-V90 WeakPolarHBondContact O-CB 3.49Å; V86-V90 VanDerWaalsContact O-CG2 3.23Å; V86-V90 WeakPolarHBondContact O-CG2 3.38Å; V86-V90 PolarHBondContact O-N 3.42Å
87S95.8Very high93.4Very high0 Ų037.7 Ų37.70%024%0.24CC..Hα-helixtrans-60.2-46176.954.40000111.9L83 M84 V85 I89 V90 V91 G129 S133L83-S87 WeakPolarHBondContact O-CB 3.49Å; L83-S87 PolarHBondContact O-N 3.34Å; L83-S87 PolarHBondContact O-OG 2.89Å; M84-S87 WeakPolarHBondContact CA-OG 3.37Å; M84-S87 PolarHBondContact O-OG 3.37Å; V85-S87 PolarHBondContact O-N 2.91Å; S87-I89 PolarHBondContact O-N 3.05Å; S87-V90 PolarHBondContact O-N 2.89Å; S87-V91 VanDerWaalsContact O-CG2 3.27Å; S87-V91 WeakPolarHBondContact O-CG2 3.28Å; S87-V91 PolarHBondContact O-N 3.44Å; S87-G129 WeakPolarHBondContact CB-O 3.4Å; S87-S133 WeakPolarHBondContact OG-CB 3.28Å
88I96.5Very high93.6Very high27 Ų2737.4 Ų37.414%0.13824%0.238CC..Hα-helixtrans-58.2-47.3176.6-69.4165.2000110.9L21 I22 T25 M84 V85 V86 V90 V91 V92L21-I88 HydrophobicContact CB-CD1 4.43Å; L21-I88 HydrophobicContact CB-CG1 3.98Å; I22-I88 HydrophobicContact CG1-CD1 4.21Å; I22-I88 HydrophobicContact CG1-CG2 4.05Å; T25-I88 HydrophobicContact CG2-CD1 4.38Å; T25-I88 WeakPolarHBondContact OG1-CD1 3.25Å; M84-I88 WeakPolarHBondContact O-CD1 3.49Å; M84-I88 VanDerWaalsContact O-CG1 3.25Å; M84-I88 WeakPolarHBondContact O-CG1 3.28Å; M84-I88 PolarHBondContact O-N 2.83Å; V85-I88 PolarHBondContact O-N 2.82Å; V86-I88 PolarHBondContact O-N 3.25Å; I88-V90 VanDerWaalsContact C-N 3.34Å; I88-V90 PolarHBondContact O-N 3Å; I88-V91 PolarHBondContact O-N 3.04Å; I88-V92 HydrophobicContact CG2-CG2 4.3Å; I88-V92 WeakPolarHBondContact O-CB 3.36Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.25Å; I88-V92 PolarHBondContact O-N 3.26Å
89I97.3Very high93.6Very high108 Ų10833.8 Ų33.855%0.55423%0.225SC*.Hα-helixtrans-60-46.2179-67.1167.6000110.8V85 V86 S87 V92 A93V85-I89 HydrophobicContact CG1-CD1 3.9Å; V85-I89 WeakPolarHBondContact O-CG1 3.4Å; V85-I89 PolarHBondContact O-N 3.16Å; V86-I89 PolarHBondContact O-N 3.48Å; S87-I89 PolarHBondContact O-N 3.05Å; I89-V92 PolarHBondContact O-N 3.31Å; I89-A93 WeakPolarHBondContact O-CB 3.44Å; I89-A93 PolarHBondContact O-N 2.83Å
90V96.6Very high93.5Very high43 Ų4337.1 Ų37.126%0.26124%0.235SC..Hα-helixtrans-64.1-45.1179.8172.20000111V86 S87 I88 A93 G94 I125V86-V90 HydrophobicContact CG1-CG2 4.19Å; V86-V90 WeakPolarHBondContact O-CB 3.49Å; V86-V90 VanDerWaalsContact O-CG2 3.23Å; V86-V90 WeakPolarHBondContact O-CG2 3.38Å; V86-V90 PolarHBondContact O-N 3.42Å; S87-V90 PolarHBondContact O-N 2.89Å; I88-V90 VanDerWaalsContact C-N 3.34Å; I88-V90 PolarHBondContact O-N 3Å; V90-A93 PolarHBondContact O-N 3.31Å; V90-G94 PolarHBondContact O-N 3.36Å; V90-I125 HydrophobicContact CG1-CG2 3.74Å; V90-I125 WeakPolarHBondContact CG1-O 3.36Å; V90-I125 WeakPolarHBondContact O-CG2 3.4Å
91V96.7Very high93Very high0 Ų037.1 Ų37.10%024%0.235CC..Hα-helixtrans-65.6-41178.5-177.70000110.9V18 S87 I88 G94 M95 I126V18-V91 HydrophobicContact CG2-CB 3.88Å; V18-V91 HydrophobicContact CG2-CG1 3.15Å; S87-V91 VanDerWaalsContact O-CG2 3.27Å; S87-V91 WeakPolarHBondContact O-CG2 3.28Å; S87-V91 PolarHBondContact O-N 3.44Å; I88-V91 PolarHBondContact O-N 3.04Å; V91-G94 PolarHBondContact O-N 2.92Å; V91-M95 HydrophobicContact CG1-CG 4.45Å; V91-M95 WeakPolarHBondContact O-CG 3.37Å; V91-M95 PolarHBondContact O-N 2.69Å; V91-I126 HydrophobicContact CG1-CG1 4.21Å; V91-I126 HydrophobicContact CG1-CG2 4.1Å
92V96.4Very high92.5Very high69 Ų6938 Ų3842%0.41824%0.24SC..Hα-helixtrans-62.7-44175.5170.40000111.5V18 I88 I89 G94 M95 G96V18-V92 HydrophobicContact CG1-CG2 3.86Å; I88-V92 HydrophobicContact CG2-CG2 4.3Å; I88-V92 WeakPolarHBondContact O-CB 3.36Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.25Å; I88-V92 PolarHBondContact O-N 3.26Å; I89-V92 PolarHBondContact O-N 3.31Å; V92-G94 VanDerWaalsContact C-N 3.33Å; V92-G94 PolarHBondContact O-N 3.26Å; V92-M95 HydrophobicContact CG2-CE 4.21Å; V92-M95 PolarHBondContact O-N 3.41Å; V92-G96 PolarHBondContact O-N 2.8Å
93A95.6Very high91.5Very high59 Ų5938.3 Ų38.349%0.48823%0.231SC..Hα-helixtrans-61.3-42.8174.600000111.6I89 V90 G96 A97I89-A93 WeakPolarHBondContact O-CB 3.44Å; I89-A93 PolarHBondContact O-N 2.83Å; V90-A93 PolarHBondContact O-N 3.31Å; A93-G96 PolarHBondContact O-N 3.44Å; A93-A97 PolarHBondContact O-N 3.5Å
94G94.8Very high90.3Very high0 Ų040.1 Ų40.10%025%0.247CC..Hα-helixtrans-63-39.917500000113.1V90 V91 V92 A97 A98 G122V90-G94 PolarHBondContact O-N 3.36Å; V91-G94 PolarHBondContact O-N 2.92Å; V92-G94 VanDerWaalsContact C-N 3.33Å; V92-G94 PolarHBondContact O-N 3.26Å; G94-A97 PolarHBondContact O-N 2.87Å; G94-A98 VanDerWaalsContact O-CB 3.25Å; G94-A98 WeakPolarHBondContact O-CB 3.29Å; G94-A98 PolarHBondContact O-N 3.29Å; G94-G122 WeakPolarHBondContact O-CA 3.22Å
95M94.3Very high89.2Confident21 Ų2142 Ų4210%0.10326%0.259CS..Hα-helixtrans-65.3-40.8173.1-73.9-165.2-49.100112F11 A14 L15 V18 V91 V92 A98 G99 I126F11-M95 HydrophobicContact CE2-CB 4.42Å; A14-M95 HydrophobicContact CB-CG 4.22Å; A14-M95 HydrophobicContact CB-SD 4.2Å; L15-M95 HydrophobicContact CB-SD 4.46Å; L15-M95 HydrophobicContact CD1-CE 4.5Å; L15-M95 HydrophobicContact CD1-SD 4.48Å; V18-M95 HydrophobicContact CB-CE 3.86Å; V18-M95 HydrophobicContact CB-SD 4.32Å; V18-M95 HydrophobicContact CG1-CE 3.97Å; V18-M95 HydrophobicContact CG2-CE 3.54Å; V18-M95 HydrophobicContact CG2-SD 3.78Å; V91-M95 HydrophobicContact CG1-CG 4.45Å; V91-M95 WeakPolarHBondContact O-CG 3.37Å; V91-M95 PolarHBondContact O-N 2.69Å; V92-M95 HydrophobicContact CG2-CE 4.21Å; V92-M95 PolarHBondContact O-N 3.41Å; M95-A98 PolarHBondContact O-N 2.94Å; M95-G99 PolarHBondContact O-N 3.49Å; M95-I126 HydrophobicContact CG-CD1 3.91Å; M95-I126 HydrophobicContact CG-CG1 4.31Å
96G92.3Very high87.8Confident42 Ų4246.6 Ų46.643%0.43328%0.282SS..Hα-helixtrans-59.8-48.7174.800000111.7V92 A93 G99 M100V92-G96 PolarHBondContact O-N 2.8Å; A93-G96 PolarHBondContact O-N 3.44Å; G96-G99 PolarHBondContact O-N 2.88Å; G96-M100 PolarHBondContact O-N 2.84Å; G96-M100 VanDerWaalsContact O-N 3.14Å
97A90.6Very high86.1Confident28 Ų2846.5 Ų46.523%0.23128%0.283CS..Hα-helixtrans-60.7-46.5174.700000111.8A93 G94 G99 M100 G101 I118A93-A97 PolarHBondContact O-N 3.5Å; G94-A97 PolarHBondContact O-N 2.87Å; A97-G99 VanDerWaalsContact C-N 3.3Å; A97-G99 PolarHBondContact O-N 3.34Å; A97-M100 PolarHBondContact O-N 2.94Å; A97-G101 PolarHBondContact O-N 3.47Å; A97-I118 VanDerWaalsContact O-CG2 3.3Å; A97-I118 WeakPolarHBondContact O-CG2 3.11Å
98A89.7Confident84.4Confident0 Ų049.4 Ų49.40%031%0.314CS..Hα-helixtrans-60.5-40.6177.700000111.9G94 M95 M100 G101 M102 I126 L182G94-A98 VanDerWaalsContact O-CB 3.25Å; G94-A98 WeakPolarHBondContact O-CB 3.29Å; G94-A98 PolarHBondContact O-N 3.29Å; M95-A98 PolarHBondContact O-N 2.94Å; A98-M100 PolarHBondContact O-N 3.15Å; A98-G101 CarbonylContact O-C 3.59Å; A98-G101 PolarHBondContact O-N 3.42Å; A98-M102 VanDerWaalsContact O-CG 3.32Å; A98-M102 WeakPolarHBondContact O-CG 3.1Å; A98-M102 PolarHBondContact O-N 3.01Å; A98-M102 VanDerWaalsContact O-N 3.15Å; A98-I126 HydrophobicContact CB-CD1 4.44Å; A98-L182 HydrophobicContact CB-CD1 4.04Å
99G88Confident82.8Confident15 Ų1550.3 Ų50.316%0.15533%0.329CS..Hα-helixtrans-62.5-37.9178.100000113.6M95 G96 A97 G101 T105M95-G99 PolarHBondContact O-N 3.49Å; G96-G99 PolarHBondContact O-N 2.88Å; A97-G99 VanDerWaalsContact C-N 3.3Å; A97-G99 PolarHBondContact O-N 3.34Å; G99-G101 VanDerWaalsContact C-N 3.29Å; G99-G101 PolarHBondContact O-N 3.2Å; G99-T105 WeakPolarHBondContact O-CB 3.1Å; G99-T105 WeakPolarHBondContact O-CG2 3.34Å
100M85.7Confident81.4Confident114 Ų11452.1 Ų52.156%0.56234%0.34SS*.Hα-helixtrans-68.6-26.6172.6-68-178.868.200113G96 A97 A98 T105 I118G96-M100 PolarHBondContact O-N 2.84Å; G96-M100 VanDerWaalsContact O-N 3.14Å; A97-M100 PolarHBondContact O-N 2.94Å; A98-M100 PolarHBondContact O-N 3.15Å; M100-T105 WeakPolarHBondContact O-CG2 3.31Å; M100-I118 HydrophobicContact CB-CG2 4.47Å
101G80.8Confident80.5Confident1 Ų154.1 Ų54.11%0.0135%0.35CS..Hα-helixtrans-89.1-7.7179.400000115.2A97 A98 G99 K115A97-G101 PolarHBondContact O-N 3.47Å; A98-G101 CarbonylContact O-C 3.59Å; A98-G101 PolarHBondContact O-N 3.42Å; G99-G101 VanDerWaalsContact C-N 3.29Å; G99-G101 PolarHBondContact O-N 3.2Å; G101-K115 CarbonylContact C-O 3.52Å; G101-K115 VanDerWaalsContact CA-O 3.22Å; G101-K115 WeakPolarHBondContact CA-O 3.42Å; G101-K115 CarbonylContact O-C 3.31Å; G101-K115 VanDerWaalsContact O-C 3.31Å
102M81.5Confident79.5Confident28 Ų2858.2 Ų58.214%0.13837%0.369CS..SBendtrans-70.6143.5-178.8-69.6-163-76.400112F11 A98 C104 T105F11-M102 HydrophobicContact CB-SD 3.92Å; F11-M102 HydrophobicContact CD1-CE 3.96Å; F11-M102 HydrophobicContact CD1-SD 4.38Å; F11-M102 HydrophobicContact CD2-CE 3.75Å; F11-M102 HydrophobicContact CD2-SD 3.97Å; F11-M102 HydrophobicContact CE1-CE 4.04Å; F11-M102 HydrophobicContact CE2-CE 3.84Å; F11-M102 HydrophobicContact CG-CE 3.81Å; F11-M102 HydrophobicContact CG-SD 3.83Å; F11-M102 HydrophobicContact CZ-CE 3.99Å; A98-M102 VanDerWaalsContact O-CG 3.32Å; A98-M102 WeakPolarHBondContact O-CG 3.1Å; A98-M102 PolarHBondContact O-N 3.01Å; A98-M102 VanDerWaalsContact O-N 3.15Å; M102-C104 PolarHBondContact O-N 3.38Å; M102-C104 VanDerWaalsContact O-N 3.12Å; M102-T105 PolarHBondContact O-N 3.39Å
103K70.3Confident78.6Confident61 Ų6159 Ų5927%0.26537%0.373SS..THydrogen-bonded Turntrans-62.1-20.4176.9-65.2179.9177.8173.60114A2 K4 T105A2-K103 PolarHBondContact O-NZ 2.83Å; K4-K103 HydrophobicContact CG-CD 4.04Å; K103-T105 VanDerWaalsContact C-N 3.3Å
104C68.4Low77.9Confident94 Ų9462.1 Ų62.164%0.63538%0.376SS*.THydrogen-bonded Turntrans-82.5-7.2178.2-59.60000113M102M102-C104 PolarHBondContact O-N 3.38Å; M102-C104 VanDerWaalsContact O-N 3.12Å
105T71.4Confident77.2Confident39 Ų3962.6 Ų62.624%0.23938%0.378CS..  trans-100.3136.3-178.4-1320000110.8G99 M100 M102 K103 C107 K115G99-T105 WeakPolarHBondContact O-CB 3.1Å; G99-T105 WeakPolarHBondContact O-CG2 3.34Å; M100-T105 WeakPolarHBondContact O-CG2 3.31Å; M102-T105 PolarHBondContact O-N 3.39Å; K103-T105 VanDerWaalsContact C-N 3.3Å; T105-C107 HydrophobicContact CG2-CB 4.04Å; T105-K115 PolarHBondContact O-NZ 2.96Å
106N66.1Low76.6Confident152 Ų15262 Ų6281%0.81338%0.376SS*.  trans-81-16.3179.1-162.525.7000113G108N106-G108 PolarHBondContact O-N 3.46Å
107C59.8Low76.2Confident75 Ų7566 Ų6651%0.50738%0.382SS..THydrogen-bonded Turntrans-63.1129.5176.9-61.70000111.5T105 K115T105-C107 HydrophobicContact CG2-CB 4.04Å; C107-K115 WeakPolarHBondContact O-CE 3.31Å; C107-K115 PolarHBondContact O-NZ 2.85Å
108G58.8Low76.1Confident62 Ų6268.1 Ų68.164%0.63939%0.388SS*.THydrogen-bonded Turntrans103.313.6170.400000117.4N106N106-G108 PolarHBondContact O-N 3.46Å
109G64.6Low76Confident45 Ų4568.1 Ų68.146%0.46439%0.388SS..  trans74.3-169.2174.500000114.4K115G109-K115 WeakPolarHBondContact O-CE 3.25Å; G109-K115 PolarHBondContact O-NZ 3.49Å
110D66.8Low76Confident147 Ų14769.5 Ų69.579%0.78639%0.391SS*.SBendtrans-91.1-1.5-171.1-135.41.1000114Q112D110-Q112 PolarHBondContact O-N 3.2Å
111D77.4Confident76.3Confident85 Ų8567.6 Ų67.646%0.45539%0.386SS..  trans-72.488.5179.1-88.3-26.6000111.8V113 K114 K115D111-V113 PolarHBondContact O-N 3.01Å; D111-V113 VanDerWaalsContact O-N 3.13Å; D111-K114 HydrophobicContact CB-CB 4.04Å; D111-K114 HydrophobicContact CB-CD 3.86Å; D111-K114 HydrophobicContact CB-CG 4.03Å; D111-K114 PolarHBondContact O-N 3.48Å; D111-K114 VanDerWaalsContact O-N 3.11Å; D111-K114 WeakPolarHBondContact OD2-CD 3.23Å; D111-K114 VanDerWaalsContact OD2-CE 3.29Å; D111-K114 WeakPolarHBondContact OD2-CE 3.45Å; D111-K114 IonicContact OD2-NZ 2.74Å; D111-K114 PolarHBondContact OD2-NZ 2.96Å; D111-K115 PolarHBondContact O-N 3.36Å; D111-K115 VanDerWaalsContact O-N 3.12Å
112Q75.4Confident76.8Confident86 Ų8667.6 Ų67.640%0.40239%0.386SS..Hα-helixtrans-55.9-30.5178.6-63.9-65.6-44.300113.4D110 A116D110-Q112 PolarHBondContact O-N 3.2Å; Q112-A116 WeakPolarHBondContact O-CB 3.4Å; Q112-A116 PolarHBondContact O-N 3.28Å
113V78.4Confident77.4Confident84 Ų8466.2 Ų66.251%0.50938%0.379SS..Hα-helixtrans-72.2-41.4179-179.10000111.3D111 A116 K117D111-V113 PolarHBondContact O-N 3.01Å; D111-V113 VanDerWaalsContact O-N 3.13Å; V113-A116 PolarHBondContact O-N 3.33Å; V113-K117 WeakPolarHBondContact O-CG 3.27Å; V113-K117 PolarHBondContact O-N 3.44Å
114K80.4Confident78.6Confident125 Ų12567 Ų6754%0.54339%0.385SS..Hα-helixtrans-66.4-45.2176.9-71.1178.6-177153.80110.6D111 A116 K117 I118D111-K114 HydrophobicContact CB-CB 4.04Å; D111-K114 HydrophobicContact CB-CD 3.86Å; D111-K114 HydrophobicContact CB-CG 4.03Å; D111-K114 PolarHBondContact O-N 3.48Å; D111-K114 VanDerWaalsContact O-N 3.11Å; D111-K114 WeakPolarHBondContact OD2-CD 3.23Å; D111-K114 VanDerWaalsContact OD2-CE 3.29Å; D111-K114 WeakPolarHBondContact OD2-CE 3.45Å; D111-K114 IonicContact OD2-NZ 2.74Å; D111-K114 PolarHBondContact OD2-NZ 2.96Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 3Å; K114-K117 PolarHBondContact O-N 3.04Å; K114-I118 WeakPolarHBondContact O-CG1 3.12Å; K114-I118 PolarHBondContact O-N 3.46Å
115K80.6Confident79.9Confident10 Ų1065.4 Ų65.44%0.04337%0.37CS..Hα-helixtrans-55.8-47174.2-76.2-174.4166.1178.70112.1G101 T105 C107 G109 D111 K117 I118 A119G101-K115 CarbonylContact C-O 3.52Å; G101-K115 VanDerWaalsContact CA-O 3.22Å; G101-K115 WeakPolarHBondContact CA-O 3.42Å; G101-K115 CarbonylContact O-C 3.31Å; G101-K115 VanDerWaalsContact O-C 3.31Å; T105-K115 PolarHBondContact O-NZ 2.96Å; C107-K115 WeakPolarHBondContact O-CE 3.31Å; C107-K115 PolarHBondContact O-NZ 2.85Å; G109-K115 WeakPolarHBondContact O-CE 3.25Å; G109-K115 PolarHBondContact O-NZ 3.49Å; D111-K115 PolarHBondContact O-N 3.36Å; D111-K115 VanDerWaalsContact O-N 3.12Å; K115-K117 PolarHBondContact O-N 3.24Å; K115-I118 PolarHBondContact O-N 2.98Å; K115-A119 PolarHBondContact O-N 3.25Å
116A81.5Confident81.1Confident8 Ų863.5 Ų63.57%0.06636%0.358CS..Hα-helixtrans-64-36.7177.700000113.4Q112 V113 K114 A119 M120 P187Q112-A116 WeakPolarHBondContact O-CB 3.4Å; Q112-A116 PolarHBondContact O-N 3.28Å; V113-A116 PolarHBondContact O-N 3.33Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 3Å; A116-A119 PolarHBondContact O-N 2.89Å; A116-M120 WeakPolarHBondContact O-CB 3.37Å; A116-M120 PolarHBondContact O-N 2.9Å; A116-P187 HydrophobicContact CB-CG 4.01Å
117K84.3Confident82.5Confident128 Ų12858.2 Ų58.256%0.55733%0.33SS*.Hα-helixtrans-65.3-42.1173.9-73.6-177.7179.1-171.20112V113 K114 K115 M120 T121V113-K117 WeakPolarHBondContact O-CG 3.27Å; V113-K117 PolarHBondContact O-N 3.44Å; K114-K117 PolarHBondContact O-N 3.04Å; K115-K117 PolarHBondContact O-N 3.24Å; K117-M120 WeakPolarHBondContact O-CB 3.31Å; K117-M120 PolarHBondContact O-N 2.85Å; K117-T121 WeakPolarHBondContact O-CG2 3.32Å; K117-T121 PolarHBondContact O-N 2.85Å; K117-T121 PolarHBondContact O-OG1 2.97Å
118I87.3Confident84.3Confident71 Ų7159.8 Ų59.836%0.36433%0.332SS..Hα-helixtrans-64.2-40.5176.2-66161.2000111A97 M100 K114 K115 M120 T121 G122A97-I118 VanDerWaalsContact O-CG2 3.3Å; A97-I118 WeakPolarHBondContact O-CG2 3.11Å; M100-I118 HydrophobicContact CB-CG2 4.47Å; K114-I118 WeakPolarHBondContact O-CG1 3.12Å; K114-I118 PolarHBondContact O-N 3.46Å; K115-I118 PolarHBondContact O-N 2.98Å; I118-M120 VanDerWaalsContact C-N 3.33Å; I118-M120 PolarHBondContact O-N 3.29Å; I118-T121 WeakPolarHBondContact CA-OG1 3.49Å; I118-T121 PolarHBondContact O-N 2.9Å; I118-T121 PolarHBondContact O-OG1 2.8Å; I118-G122 PolarHBondContact O-N 2.05Å
119A88.4Confident86Confident0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-63.5-40.1175.200000112.3K115 A116 G122 G123K115-A119 PolarHBondContact O-N 3.25Å; A116-A119 PolarHBondContact O-N 2.89Å; A119-G122 PolarHBondContact O-N 3.28Å; A119-G123 PolarHBondContact O-N 3.48Å
120M88.7Confident87.5Confident45 Ų4554.8 Ų54.822%0.22228%0.28CS..Hα-helixtrans-64.2-47.4176.9179.8-165.1-5600111.8A116 K117 I118 G122 G123 I124 C186A116-M120 WeakPolarHBondContact O-CB 3.37Å; A116-M120 PolarHBondContact O-N 2.9Å; K117-M120 WeakPolarHBondContact O-CB 3.31Å; K117-M120 PolarHBondContact O-N 2.85Å; I118-M120 VanDerWaalsContact C-N 3.33Å; I118-M120 PolarHBondContact O-N 3.29Å; M120-G122 VanDerWaalsContact C-N 3.3Å; M120-G122 PolarHBondContact O-N 2.91Å; M120-G123 PolarHBondContact O-N 3Å; M120-G123 VanDerWaalsContact O-N 3.13Å; M120-I124 HydrophobicContact CG-CD1 4.25Å; M120-I124 WeakPolarHBondContact O-CG1 3.17Å; M120-I124 PolarHBondContact O-N 2.82Å; M120-C186 HydrophobicContact CE-CB 4Å; M120-C186 WeakPolarHBondContact CE-SG 3.3Å
121T91.1Very high88.9Confident74 Ų7452.3 Ų52.345%0.45427%0.266SS..Hα-helixtrans-62.6-40178.153.50000111K117 I118 G123 I124 I125K117-T121 WeakPolarHBondContact O-CG2 3.32Å; K117-T121 PolarHBondContact O-N 2.85Å; K117-T121 PolarHBondContact O-OG1 2.97Å; I118-T121 WeakPolarHBondContact CA-OG1 3.49Å; I118-T121 PolarHBondContact O-N 2.9Å; I118-T121 PolarHBondContact O-OG1 2.8Å; T121-G123 PolarHBondContact O-N 2.98Å; T121-I124 PolarHBondContact O-N 3.12Å; T121-I125 VanDerWaalsContact O-CG1 3.28Å; T121-I125 WeakPolarHBondContact O-CG1 3.37Å; T121-I125 PolarHBondContact O-N 2.9Å
122G92.7Very high89.8Confident0 Ų049.8 Ų49.80%026%0.255CS..Hα-helixtrans-57.4-44.6171.200000113G94 I118 A119 M120 I124 I125 I126G94-G122 WeakPolarHBondContact O-CA 3.22Å; I118-G122 PolarHBondContact O-N 2.05Å; A119-G122 PolarHBondContact O-N 3.28Å; M120-G122 VanDerWaalsContact C-N 3.3Å; M120-G122 PolarHBondContact O-N 2.91Å; G122-I124 PolarHBondContact O-N 3.47Å; G122-I125 PolarHBondContact O-N 3.33Å; G122-I126 VanDerWaalsContact O-CG1 3.31Å; G122-I126 WeakPolarHBondContact O-CG1 3.47Å; G122-I126 PolarHBondContact O-N 2.81Å
123G93.5Very high90.7Very high0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-59.9-41.2174.600000113.7A119 M120 T121 I126 L127A119-G123 PolarHBondContact O-N 3.48Å; M120-G123 PolarHBondContact O-N 3Å; M120-G123 VanDerWaalsContact O-N 3.13Å; T121-G123 PolarHBondContact O-N 2.98Å; G123-I126 WeakPolarHBondContact O-CB 3.42Å; G123-I126 PolarHBondContact O-N 3.48Å; G123-L127 WeakPolarHBondContact O-CG 3.08Å; G123-L127 PolarHBondContact O-N 3.14Å
124I94.6Very high91.5Very high77 Ų7743 Ų4340%0.39522%0.219SC..Hα-helixtrans-65.5-41.9176.4-65.2166.7000111M120 T121 G122 I126 L127 I128 A183M120-I124 HydrophobicContact CG-CD1 4.25Å; M120-I124 WeakPolarHBondContact O-CG1 3.17Å; M120-I124 PolarHBondContact O-N 2.82Å; T121-I124 PolarHBondContact O-N 3.12Å; G122-I124 PolarHBondContact O-N 3.47Å; I124-I126 VanDerWaalsContact C-N 3.33Å; I124-I126 PolarHBondContact O-N 3.46Å; I124-L127 WeakPolarHBondContact O-CB 3.49Å; I124-L127 PolarHBondContact O-N 2.71Å; I124-I128 HydrophobicContact CG2-CD1 4.1Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 2.87Å; I124-A183 HydrophobicContact CG1-CB 4.2Å
125I95.9Very high92.2Very high60 Ų6040.7 Ų40.731%0.30822%0.215SC..Hα-helixtrans-62.4-42.9176.6-65.6164.6000110.3V90 T121 G122 L127 I128 G129V90-I125 HydrophobicContact CG1-CG2 3.74Å; V90-I125 WeakPolarHBondContact CG1-O 3.36Å; V90-I125 WeakPolarHBondContact O-CG2 3.4Å; T121-I125 VanDerWaalsContact O-CG1 3.28Å; T121-I125 WeakPolarHBondContact O-CG1 3.37Å; T121-I125 PolarHBondContact O-N 2.9Å; G122-I125 PolarHBondContact O-N 3.33Å; I125-L127 VanDerWaalsContact C-N 3.32Å; I125-L127 PolarHBondContact O-N 3.4Å; I125-I128 PolarHBondContact O-N 2.96Å; I125-G129 PolarHBondContact O-N 3.06Å
126I96.5Very high92.8Very high0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-57.7-44.6174.2-70.2165.4000110.8A14 V91 M95 A98 G122 G123 I124 I128 G129 A130 A175 L182A14-I126 HydrophobicContact CB-CD1 4.11Å; A14-I126 HydrophobicContact CB-CG2 4.48Å; V91-I126 HydrophobicContact CG1-CG1 4.21Å; V91-I126 HydrophobicContact CG1-CG2 4.1Å; M95-I126 HydrophobicContact CG-CD1 3.91Å; M95-I126 HydrophobicContact CG-CG1 4.31Å; A98-I126 HydrophobicContact CB-CD1 4.44Å; G122-I126 VanDerWaalsContact O-CG1 3.31Å; G122-I126 WeakPolarHBondContact O-CG1 3.47Å; G122-I126 PolarHBondContact O-N 2.81Å; G123-I126 WeakPolarHBondContact O-CB 3.42Å; G123-I126 PolarHBondContact O-N 3.48Å; I124-I126 VanDerWaalsContact C-N 3.33Å; I124-I126 PolarHBondContact O-N 3.46Å; I126-I128 PolarHBondContact O-N 2.88Å; I126-G129 PolarHBondContact O-N 3.17Å; I126-A130 VanDerWaalsContact O-CB 3.28Å; I126-A130 WeakPolarHBondContact O-CB 3.04Å; I126-A130 PolarHBondContact O-N 3.17Å; I126-A175 HydrophobicContact CG2-CB 4.5Å; I126-A175 VanDerWaalsContact CG2-O 3.25Å; I126-A175 WeakPolarHBondContact CG2-O 3.48Å; I126-L182 HydrophobicContact CD1-CD1 3.79Å
127L96.8Very high93.4Very high41 Ų4139.9 Ų39.922%0.21521%0.21CC..Hα-helixtrans-60.7-45.4178.1-73.7171000112.3G123 I124 I125 G129 A130 L131 I176 A180 A183G123-L127 WeakPolarHBondContact O-CG 3.08Å; G123-L127 PolarHBondContact O-N 3.14Å; I124-L127 WeakPolarHBondContact O-CB 3.49Å; I124-L127 PolarHBondContact O-N 2.71Å; I125-L127 VanDerWaalsContact C-N 3.32Å; I125-L127 PolarHBondContact O-N 3.4Å; L127-G129 VanDerWaalsContact C-N 3.35Å; L127-G129 PolarHBondContact O-N 3.47Å; L127-A130 PolarHBondContact O-N 3.25Å; L127-L131 WeakPolarHBondContact O-CB 2.9Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.44Å; L127-L131 PolarHBondContact O-N 3.25Å; L127-I176 HydrophobicContact CD2-CB 4.4Å; L127-I176 HydrophobicContact CD2-CG2 4.02Å; L127-I176 VanDerWaalsContact CD2-O 3.29Å; L127-I176 WeakPolarHBondContact CD2-O 2.91Å; L127-A180 HydrophobicContact CD2-CB 4.2Å; L127-A183 HydrophobicContact CD1-CB 4.24Å
128I96Very high93.9Very high108 Ų10835.8 Ų35.855%0.55420%0.197SC*.Hα-helixtrans-61.6-45.8178.5-65.5165.9000110.4I124 I125 I126 C132I124-I128 HydrophobicContact CG2-CD1 4.1Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 2.87Å; I125-I128 PolarHBondContact O-N 2.96Å; I126-I128 PolarHBondContact O-N 2.88Å; I128-C132 PolarHBondContact O-N 2.77Å
129G96Very high94.1Very high1 Ų139.4 Ų39.41%0.0121%0.207CC..Hα-helixtrans-61.7-46.4176.600000112.5S87 I125 I126 L127 L131 C132 S133S87-G129 WeakPolarHBondContact CB-O 3.4Å; I125-G129 PolarHBondContact O-N 3.06Å; I126-G129 PolarHBondContact O-N 3.17Å; L127-G129 VanDerWaalsContact C-N 3.35Å; L127-G129 PolarHBondContact O-N 3.47Å; G129-L131 PolarHBondContact O-N 3.16Å; G129-C132 VanDerWaalsContact O-CB 3.31Å; G129-C132 WeakPolarHBondContact O-CB 3.26Å; G129-C132 PolarHBondContact O-N 3.49Å; G129-C132 VanDerWaalsContact O-N 3.17Å; G129-S133 PolarHBondContact O-N 3.35Å; G129-S133 VanDerWaalsContact O-N 3.16Å
130A96.1Very high94.3Very high0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-70-30.2-178.100000113.6I126 L127 C132 S133 I134 A175 I176I126-A130 VanDerWaalsContact O-CB 3.28Å; I126-A130 WeakPolarHBondContact O-CB 3.04Å; I126-A130 PolarHBondContact O-N 3.17Å; L127-A130 PolarHBondContact O-N 3.25Å; A130-C132 VanDerWaalsContact C-N 3.33Å; A130-S133 WeakPolarHBondContact CA-OG 3.34Å; A130-S133 PolarHBondContact O-N 3.36Å; A130-S133 PolarHBondContact O-OG 3.23Å; A130-I134 PolarHBondContact O-N 2.87Å; A130-I134 VanDerWaalsContact O-N 3.1Å; A130-A175 HydrophobicContact CB-CB 3.64Å; A130-I176 HydrophobicContact CB-CG1 3.63Å
131L95.9Very high94.5Very high95 Ų9538.1 Ų38.150%0.49720%0.202SC..Hα-helixtrans-65.7-39.8170.8-74.6168.6000111.1L127 G129 S133 I134 V135 I176L127-L131 WeakPolarHBondContact O-CB 2.9Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.44Å; L127-L131 PolarHBondContact O-N 3.25Å; G129-L131 PolarHBondContact O-N 3.16Å; L131-S133 PolarHBondContact O-N 3.44Å; L131-I134 PolarHBondContact O-N 2.88Å; L131-V135 VanDerWaalsContact O-CG2 3.31Å; L131-V135 WeakPolarHBondContact O-CG2 3.26Å; L131-V135 PolarHBondContact O-N 2.72Å; L131-I176 HydrophobicContact CD2-CD1 4.02Å
132C95.1Very high94.6Very high33 Ų3337.7 Ų37.722%0.22320%0.197CC..Hα-helixtrans-61.9-42.5176.6-175.30000111.9L83 I128 G129 A130 V135 A136L83-C132 VanDerWaalsContact CD2-SG 3.52Å; I128-C132 PolarHBondContact O-N 2.77Å; G129-C132 VanDerWaalsContact O-CB 3.31Å; G129-C132 WeakPolarHBondContact O-CB 3.26Å; G129-C132 PolarHBondContact O-N 3.49Å; G129-C132 VanDerWaalsContact O-N 3.17Å; A130-C132 VanDerWaalsContact C-N 3.33Å; C132-V135 PolarHBondContact O-N 3.21Å; C132-A136 WeakPolarHBondContact O-CB 3.33Å; C132-A136 PolarHBondContact O-N 2.75Å
133S94.9Very high94.5Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-67.2-37.617660.40000113S87 G129 A130 L131 A136 C137 S172S87-S133 WeakPolarHBondContact OG-CB 3.28Å; G129-S133 PolarHBondContact O-N 3.35Å; G129-S133 VanDerWaalsContact O-N 3.16Å; A130-S133 WeakPolarHBondContact CA-OG 3.34Å; A130-S133 PolarHBondContact O-N 3.36Å; A130-S133 PolarHBondContact O-OG 3.23Å; L131-S133 PolarHBondContact O-N 3.44Å; S133-A136 PolarHBondContact O-N 3.1Å; S133-C137 PolarHBondContact O-N 3.49Å; S133-C137 PolarHBondContact O-SG 3.12Å; S133-S172 WeakPolarHBondContact CB-OG 3.4Å; S133-S172 WeakPolarHBondContact OG-CB 3.42Å; S133-S172 PolarHBondContact OG-OG 3.05Å
134I95.4Very high94.3Very high28 Ų2840.5 Ų40.514%0.14421%0.212CC..Hα-helixtrans-63-42.6174.2-109.3153.2000111.3A130 L131 C137 S138 S172 F173 I176A130-I134 PolarHBondContact O-N 2.87Å; A130-I134 VanDerWaalsContact O-N 3.1Å; L131-I134 PolarHBondContact O-N 2.88Å; I134-C137 PolarHBondContact O-N 3.49Å; I134-S138 VanDerWaalsContact O-CB 3.22Å; I134-S138 WeakPolarHBondContact O-CB 3.31Å; I134-S138 PolarHBondContact O-N 3.46Å; I134-S138 PolarHBondContact O-OG 3.39Å; I134-S172 VanDerWaalsContact CG1-CB 3.46Å; I134-F173 HydrophobicContact CD1-CD1 3.96Å; I134-F173 HydrophobicContact CD1-CE1 3.89Å; I134-F173 HydrophobicContact CD1-CG 4.43Å; I134-F173 HydrophobicContact CD1-CZ 4.29Å; I134-I176 HydrophobicContact CD1-CD1 3.33Å; I134-I176 HydrophobicContact CD1-CG1 4.46Å
135V94.8Very high94.1Very high76 Ų7639.3 Ų39.346%0.46121%0.208SC..Hα-helixtrans-64.4-44.2177.3170.80000110.1L131 C132 C137 S138 W139L131-V135 VanDerWaalsContact O-CG2 3.31Å; L131-V135 WeakPolarHBondContact O-CG2 3.26Å; L131-V135 PolarHBondContact O-N 2.72Å; C132-V135 PolarHBondContact O-N 3.21Å; V135-C137 PolarHBondContact O-N 2.92Å; V135-S138 PolarHBondContact O-N 2.97Å; V135-W139 VanDerWaalsContact O-CB 3.24Å; V135-W139 WeakPolarHBondContact O-CB 3.39Å; V135-W139 PolarHBondContact O-N 3.46Å
136A93.3Very high93.9Very high0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-58.5-49.7177.100000112.1L83 M84 C132 S133 W139 Y140L83-A136 HydrophobicContact CB-CB 3.62Å; L83-A136 HydrophobicContact CD1-CB 4.09Å; M84-A136 HydrophobicContact CG-CB 4.11Å; M84-A136 HydrophobicContact SD-CB 3.93Å; C132-A136 WeakPolarHBondContact O-CB 3.33Å; C132-A136 PolarHBondContact O-N 2.75Å; S133-A136 PolarHBondContact O-N 3.1Å; A136-W139 PolarHBondContact O-N 3.33Å; A136-Y140 PolarHBondContact O-N 2.88Å; A136-Y140 VanDerWaalsContact O-N 3.07Å
137C93.9Very high93.4Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-65.6-42.3179.9-62.70000111.8S133 I134 V135 Y140 A141S133-C137 PolarHBondContact O-N 3.49Å; S133-C137 PolarHBondContact O-SG 3.12Å; I134-C137 PolarHBondContact O-N 3.49Å; V135-C137 PolarHBondContact O-N 2.92Å; C137-Y140 PolarHBondContact O-N 3.37Å; C137-A141 VanDerWaalsContact O-CB 3.26Å; C137-A141 WeakPolarHBondContact O-CB 3.46Å; C137-A141 PolarHBondContact O-N 3.23Å
138S94.4Very high93Very high43 Ų4347.5 Ų47.530%0.30124%0.244SC..Hα-helixtrans-67.3-39.1179.8-57.30000112.2I134 V135 N142I134-S138 VanDerWaalsContact O-CB 3.22Å; I134-S138 WeakPolarHBondContact O-CB 3.31Å; I134-S138 PolarHBondContact O-N 3.46Å; I134-S138 PolarHBondContact O-OG 3.39Å; V135-S138 PolarHBondContact O-N 2.97Å; S138-N142 VanDerWaalsContact O-CB 3.31Å; S138-N142 WeakPolarHBondContact O-CB 3.37Å; S138-N142 PolarHBondContact O-N 2.92Å
139W93.1Very high92.6Very high147 Ų14750.8 Ų50.856%0.55725%0.25SS*.Hα-helixtrans-61.3-51.7174.7-171.7-50000110.2V135 A136 A141 N142 D143V135-W139 VanDerWaalsContact O-CB 3.24Å; V135-W139 WeakPolarHBondContact O-CB 3.39Å; V135-W139 PolarHBondContact O-N 3.46Å; A136-W139 PolarHBondContact O-N 3.33Å; W139-A141 VanDerWaalsContact C-N 3.33Å; W139-A141 PolarHBondContact O-N 3.04Å; W139-N142 PolarHBondContact O-N 2.59Å; W139-D143 PolarHBondContact O-N 2.64Å
140Y91.4Very high92.3Very high5 Ų553.6 Ų53.62%0.0227%0.265CS..Hα-helixtrans-62.4-41.7-179.3-163.6-100.3000112W30 L77 T80 A136 C137 N142 D143 I144 I165W30-Y140 HydrophobicContact CB-CE1 3.9Å; W30-Y140 AromaticContact CE3-CD1 3.49Å; W30-Y140 HydrophobicContact CE3-CD1 3.49Å; W30-Y140 VanDerWaalsContact CE3-CD1 3.49Å; W30-Y140 AromaticContact CE3-CE1 3.9Å; W30-Y140 HydrophobicContact CE3-CE1 3.9Å; W30-Y140 AromaticContact CE3-CG 3.97Å; W30-Y140 HydrophobicContact CE3-CG 3.97Å; W30-Y140 HydrophobicContact CZ3-CD1 4.11Å; W30-Y140 HydrophobicContact CZ3-CG 4.19Å; L77-Y140 HydrophobicContact CB-CE2 4.3Å; L77-Y140 HydrophobicContact CG-CE2 4.2Å; T80-Y140 HydrophobicContact CG2-CD2 3.96Å; T80-Y140 HydrophobicContact CG2-CG 4.31Å; A136-Y140 PolarHBondContact O-N 2.88Å; A136-Y140 VanDerWaalsContact O-N 3.07Å; C137-Y140 PolarHBondContact O-N 3.37Å; Y140-N142 VanDerWaalsContact C-N 3.34Å; Y140-N142 PolarHBondContact O-N 3.33Å; Y140-D143 WeakPolarHBondContact O-CB 3.47Å; Y140-D143 PolarHBondContact O-N 3.2Å; Y140-I144 HydrophobicContact CD1-CD1 3.69Å; Y140-I144 HydrophobicContact CD1-CG1 4.24Å; Y140-I144 HydrophobicContact CE1-CD1 3.65Å; Y140-I144 HydrophobicContact CE1-CG1 4.13Å; Y140-I144 WeakPolarHBondContact O-CG1 3.2Å; Y140-I144 PolarHBondContact O-N 3.49Å; Y140-I165 HydrophobicContact CD1-CD1 3.88Å; Y140-I165 HydrophobicContact CE1-CD1 4.38Å
141A92.3Very high91.8Very high12 Ų1258.8 Ų58.810%0.09930%0.299CS..Hα-helixtrans-59-45.1174.800000111.9C137 W139 D143 I144 V145 F161 I165C137-A141 VanDerWaalsContact O-CB 3.26Å; C137-A141 WeakPolarHBondContact O-CB 3.46Å; C137-A141 PolarHBondContact O-N 3.23Å; W139-A141 VanDerWaalsContact C-N 3.33Å; W139-A141 PolarHBondContact O-N 3.04Å; A141-D143 VanDerWaalsContact C-N 3.31Å; A141-D143 PolarHBondContact O-N 2.78Å; A141-I144 PolarHBondContact O-N 3.1Å; A141-V145 WeakPolarHBondContact O-CG2 3.22Å; A141-V145 PolarHBondContact O-N 2.86Å; A141-F161 HydrophobicContact CB-CD1 4.41Å; A141-F161 HydrophobicContact CB-CE1 3.73Å; A141-I165 HydrophobicContact CB-CG2 4.42Å
142N92.9Very high91.4Very high66 Ų6662.8 Ų62.835%0.35331%0.312SS..Hα-helixtrans-65.2-33.7176.6171.675.6000112.5S138 W139 Y140 V145 R146S138-N142 VanDerWaalsContact O-CB 3.31Å; S138-N142 WeakPolarHBondContact O-CB 3.37Å; S138-N142 PolarHBondContact O-N 2.92Å; W139-N142 PolarHBondContact O-N 2.59Å; Y140-N142 VanDerWaalsContact C-N 3.34Å; Y140-N142 PolarHBondContact O-N 3.33Å; N142-V145 PolarHBondContact O-N 3.36Å; N142-R146 VanDerWaalsContact ND2-CZ 3.27Å; N142-R146 PolarHBondContact ND2-NE 3.44Å; N142-R146 VanDerWaalsContact ND2-NE 3.14Å; N142-R146 PolarHBondContact ND2-NH2 2.8Å; N142-R146 WeakPolarHBondContact O-CB 3.35Å; N142-R146 VanDerWaalsContact O-CG 3.28Å; N142-R146 WeakPolarHBondContact O-CG 3.36Å; N142-R146 PolarHBondContact O-N 3.48Å
143D90.6Very high90.8Very high49 Ų4962.5 Ų62.526%0.26231%0.31SS..Hα-helixtrans-63.2-44.6173.2-163.359.1000111.6W139 Y140 A141 V145 R146 A147W139-D143 PolarHBondContact O-N 2.64Å; Y140-D143 WeakPolarHBondContact O-CB 3.47Å; Y140-D143 PolarHBondContact O-N 3.2Å; A141-D143 VanDerWaalsContact C-N 3.31Å; A141-D143 PolarHBondContact O-N 2.78Å; D143-V145 PolarHBondContact O-N 2.9Å; D143-R146 PolarHBondContact O-N 3.04Å; D143-A147 WeakPolarHBondContact O-CB 3.46Å; D143-A147 PolarHBondContact O-N 2.99Å
144I89.6Confident90.1Very high10 Ų1065.7 Ų65.75%0.05133%0.331CS..Hα-helixtrans-59.6-46.9174.8-63.7164.9000110.8K31 Y140 A141 R146 A147 F148 Y159 F161 I165K31-I144 HydrophobicContact CB-CD1 3.83Å; K31-I144 HydrophobicContact CB-CG1 4.31Å; Y140-I144 HydrophobicContact CD1-CD1 3.69Å; Y140-I144 HydrophobicContact CD1-CG1 4.24Å; Y140-I144 HydrophobicContact CE1-CD1 3.65Å; Y140-I144 HydrophobicContact CE1-CG1 4.13Å; Y140-I144 WeakPolarHBondContact O-CG1 3.2Å; Y140-I144 PolarHBondContact O-N 3.49Å; A141-I144 PolarHBondContact O-N 3.1Å; I144-R146 PolarHBondContact O-N 3.27Å; I144-A147 PolarHBondContact O-N 2.88Å; I144-F148 WeakPolarHBondContact O-CB 3.35Å; I144-F148 PolarHBondContact O-N 3.49Å; I144-Y159 WeakPolarHBondContact CG2-O 3.46Å; I144-F161 HydrophobicContact CB-CE1 4.44Å; I144-F161 HydrophobicContact CD1-CD1 4.2Å; I144-I165 HydrophobicContact CD1-CD1 3.55Å
145V91.5Very high89.1Confident52 Ų5268.2 Ų68.232%0.31535%0.347SS..Hα-helixtrans-60.2-46.8179.31720000110.9A141 N142 D143 A147 F148 Y149 F161A141-V145 WeakPolarHBondContact O-CG2 3.22Å; A141-V145 PolarHBondContact O-N 2.86Å; N142-V145 PolarHBondContact O-N 3.36Å; D143-V145 PolarHBondContact O-N 2.9Å; V145-A147 VanDerWaalsContact C-N 3.35Å; V145-A147 PolarHBondContact O-N 3.43Å; V145-F148 PolarHBondContact O-N 2.89Å; V145-Y149 HydrophobicContact CG1-CD2 3.78Å; V145-Y149 HydrophobicContact CG1-CE2 3.88Å; V145-Y149 VanDerWaalsContact O-CD2 3.26Å; V145-Y149 WeakPolarHBondContact O-CD2 3.34Å; V145-Y149 PolarHBondContact O-N 2.92Å; V145-Y149 VanDerWaalsContact O-N 3.14Å; V145-F161 HydrophobicContact CG2-CE1 4.08Å; V145-F161 HydrophobicContact CG2-CE2 4.25Å; V145-F161 HydrophobicContact CG2-CZ 3.38Å
146R90.8Very high88Confident169 Ų16969.1 Ų69.164%0.63835%0.349SS*.Hα-helixtrans-60.4-45.3178.1-74.4175.5-178.8-171.60.1111.5N142 D143 I144 F148 Y149 D150N142-R146 VanDerWaalsContact ND2-CZ 3.27Å; N142-R146 PolarHBondContact ND2-NE 3.44Å; N142-R146 VanDerWaalsContact ND2-NE 3.14Å; N142-R146 PolarHBondContact ND2-NH2 2.8Å; N142-R146 WeakPolarHBondContact O-CB 3.35Å; N142-R146 VanDerWaalsContact O-CG 3.28Å; N142-R146 WeakPolarHBondContact O-CG 3.36Å; N142-R146 PolarHBondContact O-N 3.48Å; D143-R146 PolarHBondContact O-N 3.04Å; I144-R146 PolarHBondContact O-N 3.27Å; R146-F148 VanDerWaalsContact C-N 3.3Å; R146-F148 PolarHBondContact O-N 2.93Å; R146-Y149 PolarHBondContact O-N 2.89Å; R146-D150 WeakPolarHBondContact O-CB 3.31Å; R146-D150 PolarHBondContact O-N 3.45Å; R146-D150 VanDerWaalsContact O-N 3.07Å
147A87.6Confident87.1Confident46 Ų4672 Ų7238%0.3837%0.367SS..Hα-helixtrans-64-34.417700000112.5D143 I144 V145 T153D143-A147 WeakPolarHBondContact O-CB 3.46Å; D143-A147 PolarHBondContact O-N 2.99Å; I144-A147 PolarHBondContact O-N 2.88Å; V145-A147 VanDerWaalsContact C-N 3.35Å; V145-A147 PolarHBondContact O-N 3.43Å; A147-T153 VanDerWaalsContact O-CB 3.32Å; A147-T153 WeakPolarHBondContact O-CB 3.37Å; A147-T153 PolarHBondContact O-OG1 2.95Å; A147-T153 VanDerWaalsContact O-OG1 3.13Å
148F86.9Confident86.6Confident57 Ų5774.8 Ų74.825%0.2538%0.378CS..Hα-helixtrans-69.1-38.7179.2-169.2-88.5000113.1A34 I144 V145 R146 R158 Y159 E160A34-F148 HydrophobicContact CB-CE2 4.21Å; I144-F148 WeakPolarHBondContact O-CB 3.35Å; I144-F148 PolarHBondContact O-N 3.49Å; V145-F148 PolarHBondContact O-N 2.89Å; R146-F148 VanDerWaalsContact C-N 3.3Å; R146-F148 PolarHBondContact O-N 2.93Å; F148-R158 HydrophobicContact CD2-CB 3.95Å; F148-R158 HydrophobicContact CD2-CG 4.5Å; F148-R158 HydrophobicContact CE2-CB 4.06Å; F148-Y159 WeakPolarHBondContact CD2-O 2.74Å; F148-E160 HydrophobicContact CE2-CG 4.41Å
149Y88.3Confident86.1Confident177 Ų17775.2 Ų75.269%0.69437%0.373SS*.Hα-helixtrans-89.8-5.6-179.3-71.9-70.2000114.3V145 R146 P151V145-Y149 HydrophobicContact CG1-CD2 3.78Å; V145-Y149 HydrophobicContact CG1-CE2 3.88Å; V145-Y149 VanDerWaalsContact O-CD2 3.26Å; V145-Y149 WeakPolarHBondContact O-CD2 3.34Å; V145-Y149 PolarHBondContact O-N 2.92Å; V145-Y149 VanDerWaalsContact O-N 3.14Å; R146-Y149 PolarHBondContact O-N 2.89Å; Y149-P151 WeakPolarHBondContact O-CD 3.44Å
150D89.1Confident86Confident61 Ų6173 Ų7333%0.32637%0.369SS..  trans-69.1120177.6-174.7-5.6000110.7R146 F152 T153R146-D150 WeakPolarHBondContact O-CB 3.31Å; R146-D150 PolarHBondContact O-N 3.45Å; R146-D150 VanDerWaalsContact O-N 3.07Å; D150-F152 PolarHBondContact O-N 3Å; D150-F152 VanDerWaalsContact OD1-CD2 3.3Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.5Å; D150-F152 PolarHBondContact OD1-N 2.91Å; D150-T153 PolarHBondContact O-N 3.17Å
151P86.5Confident85.9Confident108 Ų10877.2 Ų77.270%0.70139%0.387SS*.THydrogen-bonded Turntrans-62.2-21.417826.4-36000113.4Y149 T153Y149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-T153 VanDerWaalsContact C-N 3.34Å
152F87Confident85.9Confident179 Ų17976.9 Ų76.979%0.78539%0.385SS*.THydrogen-bonded Turntrans-83.6-9.9177.3-59.5-71.2000113.2D150 P154D150-F152 PolarHBondContact O-N 3Å; D150-F152 VanDerWaalsContact OD1-CD2 3.3Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.5Å; D150-F152 PolarHBondContact OD1-N 2.91Å; F152-P154 VanDerWaalsContact O-CD 3.3Å; F152-P154 WeakPolarHBondContact O-CD 3.49Å
153T81.7Confident85.8Confident27 Ų2776 Ų7617%0.16638%0.384CS..SBendtrans-79.7117.5177.8-64.40000110.3A147 D150 P151 V155 R158A147-T153 VanDerWaalsContact O-CB 3.32Å; A147-T153 WeakPolarHBondContact O-CB 3.37Å; A147-T153 PolarHBondContact O-OG1 2.95Å; A147-T153 VanDerWaalsContact O-OG1 3.13Å; D150-T153 PolarHBondContact O-N 3.17Å; P151-T153 VanDerWaalsContact C-N 3.34Å; T153-V155 PolarHBondContact O-N 2.96Å; T153-R158 HydrophobicContact CG2-CG 4.13Å
154P80.5Confident86Confident68 Ų6873.6 Ų73.644%0.44237%0.371SS..  trans-55138.8177-22.932.3000111.3F152 N156 T157F152-P154 VanDerWaalsContact O-CD 3.3Å; F152-P154 WeakPolarHBondContact O-CD 3.49Å; P154-N156 WeakPolarHBondContact CB-OD1 3.26Å; P154-N156 PolarHBondContact O-N 2.97Å; P154-N156 VanDerWaalsContact O-N 3.15Å; P154-T157 WeakPolarHBondContact CD-OG1 3.31Å; P154-T157 PolarHBondContact O-N 3.38Å; P154-T157 PolarHBondContact O-OG1 3.45Å; P154-T157 VanDerWaalsContact O-OG1 3.06Å
155V74.8Confident86.2Confident81 Ų8173.3 Ų73.349%0.49137%0.37SS..G310 helixtrans-56.8-33.5-179.2-69.30000112.2F35 T153 T157 R158F35-V155 WeakPolarHBondContact CD2-O 3.42Å; F35-V155 WeakPolarHBondContact CG-O 3.02Å; T153-V155 PolarHBondContact O-N 2.96Å; V155-T157 PolarHBondContact O-N 2.9Å; V155-R158 PolarHBondContact O-N 3.41Å
156N71.4Confident86.3Confident94 Ų9476.7 Ų76.750%0.50338%0.38SS..G310 helixtrans-71.6-8.9178.357.3-58.8000114.7P154P154-N156 WeakPolarHBondContact CB-OD1 3.26Å; P154-N156 PolarHBondContact O-N 2.97Å; P154-N156 VanDerWaalsContact O-N 3.15Å
157T74.7Confident86.5Confident61 Ų6171.2 Ų71.237%0.37436%0.363SS..G310 helixtrans-12018.4179.257.80000112.6P154 V155 Y159P154-T157 WeakPolarHBondContact CD-OG1 3.31Å; P154-T157 PolarHBondContact O-N 3.38Å; P154-T157 PolarHBondContact O-OG1 3.45Å; P154-T157 VanDerWaalsContact O-OG1 3.06Å; V155-T157 PolarHBondContact O-N 2.9Å; T157-Y159 WeakPolarHBondContact O-CD2 3.37Å; T157-Y159 WeakPolarHBondContact O-CE2 3.49Å
158R82.6Confident86.9Confident59 Ų5969 Ų6922%0.22335%0.345CS..  trans-78.2135.9175.5-67.1-174.3-176.9-174.7-0.8110.8A34 F35 F148 T153 V155A34-R158 HydrophobicContact CB-CB 4.41Å; A34-R158 PolarHBondContact N-O 2.88Å; F35-R158 HydrophobicContact CD2-CB 4.16Å; F35-R158 HydrophobicContact CE2-CB 4.29Å; F148-R158 HydrophobicContact CD2-CB 3.95Å; F148-R158 HydrophobicContact CD2-CG 4.5Å; F148-R158 HydrophobicContact CE2-CB 4.06Å; T153-R158 HydrophobicContact CG2-CG 4.13Å; V155-R158 PolarHBondContact O-N 3.41Å
159Y85.5Confident87.4Confident52 Ų5271.2 Ų71.220%0.20435%0.352CS..EExtended strand (participates in β ladder)trans-116.9143.6179.3-69.8-94000111.1K31 M32 E48 I144 F148 T157K31-Y159 HydrophobicContact CB-CD1 4.17Å; K31-Y159 HydrophobicContact CB-CG 4.43Å; K31-Y159 HydrophobicContact CD-CD1 3.67Å; K31-Y159 HydrophobicContact CD-CD2 4.2Å; K31-Y159 HydrophobicContact CD-CE1 4.18Å; K31-Y159 HydrophobicContact CD-CG 3.69Å; K31-Y159 HydrophobicContact CG-CD1 3.66Å; K31-Y159 HydrophobicContact CG-CE1 4.24Å; K31-Y159 HydrophobicContact CG-CG 4.11Å; M32-Y159 CarbonylContact O-C 3.46Å; M32-Y159 VanDerWaalsContact O-CA 3.22Å; M32-Y159 WeakPolarHBondContact O-CA 3.22Å; E48-Y159 HydrophobicContact CG-CE1 4.3Å; E48-Y159 VanDerWaalsContact OE1-CZ 3.29Å; E48-Y159 PolarHBondContact OE1-OH 3.12Å; I144-Y159 WeakPolarHBondContact CG2-O 3.46Å; F148-Y159 WeakPolarHBondContact CD2-O 2.74Å; T157-Y159 WeakPolarHBondContact O-CD2 3.37Å; T157-Y159 WeakPolarHBondContact O-CE2 3.49Å
160E89.9Confident87.8Confident101 Ų10165.1 Ų65.147%0.47234%0.338SS..EExtended strand (participates in β ladder)trans-103.4169.5170.3-75.9173.1-172.700110.9K31 M32 A34 F148 G162K31-E160 VanDerWaalsContact CA-O 3.31Å; K31-E160 WeakPolarHBondContact CA-O 3.24Å; M32-E160 PolarHBondContact N-O 3.49Å; M32-E160 PolarHBondContact O-N 2.91Å; A34-E160 HydrophobicContact CB-CG 3.81Å; F148-E160 HydrophobicContact CE2-CG 4.41Å; E160-G162 PolarHBondContact O-N 3.47Å
161F90.4Very high88.1Confident92 Ų9262.3 Ų62.340%0.40432%0.323SS..EExtended strand (participates in β ladder)trans-65.2127.5176.4-61-67.2000111.5A141 I144 V145 I165 F166A141-F161 HydrophobicContact CB-CD1 4.41Å; A141-F161 HydrophobicContact CB-CE1 3.73Å; I144-F161 HydrophobicContact CB-CE1 4.44Å; I144-F161 HydrophobicContact CD1-CD1 4.2Å; V145-F161 HydrophobicContact CG2-CE1 4.08Å; V145-F161 HydrophobicContact CG2-CE2 4.25Å; V145-F161 HydrophobicContact CG2-CZ 3.38Å; F161-I165 HydrophobicContact CD1-CD1 4.16Å; F161-F166 HydrophobicContact CB-CE2 3.85Å; F161-F166 HydrophobicContact CB-CZ 3.88Å; F161-F166 HydrophobicContact CG-CZ 4.42Å
162G90.8Very high88.6Confident5 Ų557.1 Ų57.15%0.05229%0.29CS..PPolyproline II helixtrans-85.4163.4169.900000112.6Q29 W30 E160 A164 I165 F166Q29-G162 CarbonylContact O-C 3.03Å; Q29-G162 WeakPolarHBondContact O-CA 3.34Å; W30-G162 WeakPolarHBondContact O-CA 3.43Å; W30-G162 PolarHBondContact O-N 2.98Å; E160-G162 PolarHBondContact O-N 3.47Å; G162-A164 PolarHBondContact O-N 2.96Å; G162-I165 PolarHBondContact O-N 3.07Å; G162-F166 WeakPolarHBondContact O-CD2 3.41Å
163S92.5Very high89.1Confident47 Ų4753.4 Ų53.433%0.32927%0.274SS..Hα-helixtrans-58.2-32-179.857.10000113.7Q29 I165 F166 I167Q29-S163 VanDerWaalsContact CB-OG 3.31Å; Q29-S163 WeakPolarHBondContact CB-OG 3.34Å; Q29-S163 PolarHBondContact O-N 2.92Å; Q29-S163 PolarHBondContact OE1-OG 3.36Å; S163-I165 VanDerWaalsContact C-N 3.33Å; S163-I165 PolarHBondContact O-N 3.49Å; S163-F166 PolarHBondContact O-N 3.36Å; S163-I167 WeakPolarHBondContact O-CG1 3.36Å; S163-I167 PolarHBondContact O-N 2.98Å
164A93.8Very high89.8Confident0 Ų054.8 Ų54.80%028%0.28CS..Hα-helixtrans-65.8-33-174.300000113L27 Q29 W30 G162 F166 I167 G168L27-A164 HydrophobicContact CB-CB 3.73Å; L27-A164 HydrophobicContact CD1-CB 4.41Å; Q29-A164 WeakPolarHBondContact O-CB 3.29Å; Q29-A164 PolarHBondContact O-N 3.44Å; W30-A164 VanDerWaalsContact CD1-CB 3.49Å; W30-A164 HydrophobicContact CG-CB 4.09Å; G162-A164 PolarHBondContact O-N 2.96Å; A164-F166 VanDerWaalsContact C-N 3.35Å; A164-I167 PolarHBondContact O-N 2.7Å; A164-G168 PolarHBondContact O-N 3.15Å
165I93Very high90.6Very high4 Ų451.6 Ų51.62%0.02126%0.259CS..Hα-helixtrans-64.2-42.7177.2-65.9176.8000110.4W30 Y140 A141 I144 F161 G162 S163 I167 G168 W169W30-I165 HydrophobicContact CB-CG1 4.48Å; W30-I165 HydrophobicContact CD2-CG1 4.03Å; W30-I165 HydrophobicContact CE3-CD1 4.19Å; W30-I165 HydrophobicContact CE3-CG1 3.54Å; W30-I165 HydrophobicContact CG-CG1 4.48Å; W30-I165 HydrophobicContact CZ3-CG1 4.08Å; W30-I165 WeakPolarHBondContact O-CD1 3.42Å; W30-I165 WeakPolarHBondContact O-CG1 3.5Å; Y140-I165 HydrophobicContact CD1-CD1 3.88Å; Y140-I165 HydrophobicContact CE1-CD1 4.38Å; A141-I165 HydrophobicContact CB-CG2 4.42Å; I144-I165 HydrophobicContact CD1-CD1 3.55Å; F161-I165 HydrophobicContact CD1-CD1 4.16Å; G162-I165 PolarHBondContact O-N 3.07Å; S163-I165 VanDerWaalsContact C-N 3.33Å; S163-I165 PolarHBondContact O-N 3.49Å; I165-I167 VanDerWaalsContact C-N 3.34Å; I165-I167 PolarHBondContact O-N 2.74Å; I165-G168 PolarHBondContact O-N 2.85Å; I165-W169 PolarHBondContact O-N 3.37Å
166F94.9Very high91.7Very high122 Ų12249.6 Ų49.654%0.53525%0.245SC..Hα-helixtrans-65.2-39.7178.4-60.6-71.8000111.7F161 G162 S163 A164 W169 A170F161-F166 HydrophobicContact CB-CE2 3.85Å; F161-F166 HydrophobicContact CB-CZ 3.88Å; F161-F166 HydrophobicContact CG-CZ 4.42Å; G162-F166 WeakPolarHBondContact O-CD2 3.41Å; S163-F166 PolarHBondContact O-N 3.36Å; A164-F166 VanDerWaalsContact C-N 3.35Å; F166-W169 PolarHBondContact O-N 2.73Å; F166-A170 WeakPolarHBondContact O-CB 3.16Å; F166-A170 PolarHBondContact O-N 2.91Å
167I95.6Very high92.9Very high55 Ų5549.3 Ų49.328%0.28224%0.243SC..Hα-helixtrans-64.6-41.6174.2-63.1166.7000110.5G20 I23 L27 S163 A164 I165 A170 G171G20-I167 WeakPolarHBondContact O-CG2 3.22Å; I23-I167 HydrophobicContact CB-CG2 4.48Å; I23-I167 HydrophobicContact CG2-CG2 4.21Å; L27-I167 HydrophobicContact CD1-CD1 3.52Å; S163-I167 WeakPolarHBondContact O-CG1 3.36Å; S163-I167 PolarHBondContact O-N 2.98Å; A164-I167 PolarHBondContact O-N 2.7Å; I165-I167 VanDerWaalsContact C-N 3.34Å; I165-I167 PolarHBondContact O-N 2.74Å; I167-A170 PolarHBondContact O-N 3.34Å; I167-G171 PolarHBondContact O-N 3.04Å
168G95.3Very high93.8Very high0 Ų046.4 Ų46.40%023%0.225CC..Hα-helixtrans-61.8-42.317500000113.1A164 I165 S172A164-G168 PolarHBondContact O-N 3.15Å; I165-G168 PolarHBondContact O-N 2.85Å; G168-S172 WeakPolarHBondContact O-CB 3.18Å; G168-S172 PolarHBondContact O-N 2.95Å; G168-S172 PolarHBondContact O-OG 2.59Å
169W96.6Very high94.4Very high102 Ų10243.6 Ų43.639%0.38621%0.214SC..Hα-helixtrans-62-52.1172.4-90.434.7000111.7I165 F166 G171 S172 F173I165-W169 PolarHBondContact O-N 3.37Å; F166-W169 PolarHBondContact O-N 2.73Å; W169-G171 VanDerWaalsContact C-N 3.32Å; W169-G171 PolarHBondContact O-N 2.95Å; W169-S172 WeakPolarHBondContact O-CB 3.22Å; W169-S172 PolarHBondContact O-N 2.89Å; W169-S172 VanDerWaalsContact O-N 3.15Å; W169-F173 HydrophobicContact CB-CD2 4.42Å; W169-F173 HydrophobicContact CB-CE2 4.16Å; W169-F173 HydrophobicContact CD2-CE2 4.31Å; W169-F173 AromaticContact CE3-CE2 3.92Å; W169-F173 HydrophobicContact CE3-CE2 3.92Å; W169-F173 HydrophobicContact CE3-CZ 4.4Å; W169-F173 HydrophobicContact CG-CE2 4.46Å; W169-F173 WeakPolarHBondContact O-CD2 3.31Å; W169-F173 PolarHBondContact O-N 3.28Å
170A96.8Very high94.8Very high49 Ų4943.1 Ų43.141%0.40522%0.221SC..Hα-helixtrans-57.1-46.2178.800000111.5F166 I167 S172 F173 L174F166-A170 WeakPolarHBondContact O-CB 3.16Å; F166-A170 PolarHBondContact O-N 2.91Å; I167-A170 PolarHBondContact O-N 3.34Å; A170-S172 PolarHBondContact O-N 3.43Å; A170-F173 PolarHBondContact O-N 3.44Å; A170-L174 VanDerWaalsContact O-CG 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.36Å; A170-L174 PolarHBondContact O-N 3.42Å
171G96.6Very high94.9Very high2 Ų239.7 Ų39.72%0.02121%0.206CC..Hα-helixtrans-60.3-43.117600000112.8G17 I167 W169 L174 A175G17-G171 WeakPolarHBondContact CA-O 3.32Å; G17-G171 WeakPolarHBondContact O-CA 3.43Å; I167-G171 PolarHBondContact O-N 3.04Å; W169-G171 VanDerWaalsContact C-N 3.32Å; W169-G171 PolarHBondContact O-N 2.95Å; G171-L174 PolarHBondContact O-N 3.37Å; G171-A175 WeakPolarHBondContact O-CB 3.42Å; G171-A175 PolarHBondContact O-N 3.15Å
172S96.4Very high94.9Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-63.7-44.4176.4-56.80000112.1L21 S133 I134 G168 W169 A170 A175 I176L21-S172 WeakPolarHBondContact CD2-OG 3.42Å; S133-S172 WeakPolarHBondContact CB-OG 3.4Å; S133-S172 WeakPolarHBondContact OG-CB 3.42Å; S133-S172 PolarHBondContact OG-OG 3.05Å; I134-S172 VanDerWaalsContact CG1-CB 3.46Å; G168-S172 WeakPolarHBondContact O-CB 3.18Å; G168-S172 PolarHBondContact O-N 2.95Å; G168-S172 PolarHBondContact O-OG 2.59Å; W169-S172 WeakPolarHBondContact O-CB 3.22Å; W169-S172 PolarHBondContact O-N 2.89Å; W169-S172 VanDerWaalsContact O-N 3.15Å; A170-S172 PolarHBondContact O-N 3.43Å; S172-A175 PolarHBondContact O-N 3.21Å; S172-I176 WeakPolarHBondContact O-CG1 3.43Å; S172-I176 PolarHBondContact O-N 2.73Å
173F97.3Very high94.8Very high101 Ų10136 Ų3644%0.44319%0.191SC..Hα-helixtrans-63.5-43.9177.5-73.9-60.8000112.1I134 W169 A170 A175 I176 I177I134-F173 HydrophobicContact CD1-CD1 3.96Å; I134-F173 HydrophobicContact CD1-CE1 3.89Å; I134-F173 HydrophobicContact CD1-CG 4.43Å; I134-F173 HydrophobicContact CD1-CZ 4.29Å; W169-F173 HydrophobicContact CB-CD2 4.42Å; W169-F173 HydrophobicContact CB-CE2 4.16Å; W169-F173 HydrophobicContact CD2-CE2 4.31Å; W169-F173 AromaticContact CE3-CE2 3.92Å; W169-F173 HydrophobicContact CE3-CE2 3.92Å; W169-F173 HydrophobicContact CE3-CZ 4.4Å; W169-F173 HydrophobicContact CG-CE2 4.46Å; W169-F173 WeakPolarHBondContact O-CD2 3.31Å; W169-F173 PolarHBondContact O-N 3.28Å; A170-F173 PolarHBondContact O-N 3.44Å; F173-A175 VanDerWaalsContact C-N 3.31Å; F173-A175 PolarHBondContact O-N 2.83Å; F173-I176 PolarHBondContact O-N 3.44Å; F173-I177 VanDerWaalsContact O-CG1 3.28Å; F173-I177 WeakPolarHBondContact O-CG1 3.24Å; F173-I177 PolarHBondContact O-N 3.19Å
174L97.1Very high94.5Very high56 Ų5637 Ų3729%0.29320%0.203SC..Hα-helixtrans-60.2-42.5175.3-70.8171.5000111.4L13 L16 A170 G171 I177 G178L13-L174 HydrophobicContact CD2-CD2 3.8Å; L16-L174 HydrophobicContact CB-CD1 4.24Å; A170-L174 VanDerWaalsContact O-CG 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.36Å; A170-L174 PolarHBondContact O-N 3.42Å; G171-L174 PolarHBondContact O-N 3.37Å; L174-I177 PolarHBondContact O-N 3.45Å; L174-G178 PolarHBondContact O-N 2.95Å
175A96.8Very high93.5Very high0 Ų037.1 Ų37.10%020%0.203CC..Hα-helixtrans-65.8-39.6175.900000112.4I126 A130 G171 S172 F173 G179I126-A175 HydrophobicContact CG2-CB 4.5Å; I126-A175 VanDerWaalsContact CG2-O 3.25Å; I126-A175 WeakPolarHBondContact CG2-O 3.48Å; A130-A175 HydrophobicContact CB-CB 3.64Å; G171-A175 WeakPolarHBondContact O-CB 3.42Å; G171-A175 PolarHBondContact O-N 3.15Å; S172-A175 PolarHBondContact O-N 3.21Å; F173-A175 VanDerWaalsContact C-N 3.31Å; F173-A175 PolarHBondContact O-N 2.83Å; A175-G179 PolarHBondContact O-N 2.85Å
176I97.3Very high92.2Very high39 Ų3939.9 Ų39.920%0.222%0.222CC..Hα-helixtrans-62.8-50.1174.7-72.9177.2000110.8L127 A130 L131 I134 S172 F173 G178 G179 A180L127-I176 HydrophobicContact CD2-CB 4.4Å; L127-I176 HydrophobicContact CD2-CG2 4.02Å; L127-I176 VanDerWaalsContact CD2-O 3.29Å; L127-I176 WeakPolarHBondContact CD2-O 2.91Å; A130-I176 HydrophobicContact CB-CG1 3.63Å; L131-I176 HydrophobicContact CD2-CD1 4.02Å; I134-I176 HydrophobicContact CD1-CD1 3.33Å; I134-I176 HydrophobicContact CD1-CG1 4.46Å; S172-I176 WeakPolarHBondContact O-CG1 3.43Å; S172-I176 PolarHBondContact O-N 2.73Å; F173-I176 PolarHBondContact O-N 3.44Å; I176-G178 VanDerWaalsContact C-N 3.34Å; I176-G178 PolarHBondContact O-N 3.4Å; I176-G179 PolarHBondContact O-N 2.97Å; I176-A180 VanDerWaalsContact O-CB 3.25Å; I176-A180 WeakPolarHBondContact O-CB 3.35Å; I176-A180 PolarHBondContact O-N 2.95Å
177I96.4Very high90.5Very high88 Ų8836.5 Ų36.545%0.45121%0.213SC..Hα-helixtrans-62-46.3-179.4-65166.5000109.5L13 F173 L174 A180 M181L13-I177 HydrophobicContact CD1-CG2 3.86Å; F173-I177 VanDerWaalsContact O-CG1 3.28Å; F173-I177 WeakPolarHBondContact O-CG1 3.24Å; F173-I177 PolarHBondContact O-N 3.19Å; L174-I177 PolarHBondContact O-N 3.45Å; I177-A180 PolarHBondContact O-N 3.03Å; I177-M181 HydrophobicContact CG2-SD 3.86Å; I177-M181 WeakPolarHBondContact O-CG 3.32Å; I177-M181 PolarHBondContact O-N 3.34Å
178G94.5Very high88.4Confident0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-59.9-47.3176.900000113.2G10 L174 I176 M181 L182G10-G178 WeakPolarHBondContact O-CA 3.43Å; L174-G178 PolarHBondContact O-N 2.95Å; I176-G178 VanDerWaalsContact C-N 3.34Å; I176-G178 PolarHBondContact O-N 3.4Å; G178-M181 PolarHBondContact O-N 3.2Å; G178-L182 WeakPolarHBondContact O-CG 3.26Å; G178-L182 PolarHBondContact O-N 3.47Å
179G94.4Very high86Confident0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-62.3-41.7176.100000112.9A175 I176 L182 A183A175-G179 PolarHBondContact O-N 2.85Å; I176-G179 PolarHBondContact O-N 2.97Å; G179-L182 PolarHBondContact O-N 3.15Å; G179-A183 WeakPolarHBondContact O-CB 3.43Å; G179-A183 PolarHBondContact O-N 3.46Å
180A94.1Very high83.2Confident42 Ų4257.4 Ų57.435%0.34730%0.301SS..Hα-helixtrans-63.9-41.7176.900000111.9L127 I176 I177 L182 A183 A184L127-A180 HydrophobicContact CD2-CB 4.2Å; I176-A180 VanDerWaalsContact O-CB 3.25Å; I176-A180 WeakPolarHBondContact O-CB 3.35Å; I176-A180 PolarHBondContact O-N 2.95Å; I177-A180 PolarHBondContact O-N 3.03Å; A180-L182 VanDerWaalsContact C-N 3.35Å; A180-A183 PolarHBondContact O-N 2.89Å; A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.27Å
181M92.1Very high80.4Confident30 Ų3066.3 Ų66.315%0.14832%0.324CS..Hα-helixtrans-65.4-38.2176.4-68.9169.273.400112.3L6 L9 L13 I177 G178 S185L6-M181 HydrophobicContact CD1-CB 4.38Å; L6-M181 HydrophobicContact CD1-CE 3.34Å; L6-M181 HydrophobicContact CD1-CG 4.24Å; L6-M181 HydrophobicContact CG-CB 4.32Å; L6-M181 HydrophobicContact CG-CE 4.11Å; L9-M181 HydrophobicContact CB-CE 3.87Å; L9-M181 HydrophobicContact CD2-CE 3.64Å; L9-M181 HydrophobicContact CG-CE 3.69Å; L13-M181 HydrophobicContact CD1-CE 4.48Å; L13-M181 HydrophobicContact CD1-SD 3.63Å; I177-M181 HydrophobicContact CG2-SD 3.86Å; I177-M181 WeakPolarHBondContact O-CG 3.32Å; I177-M181 PolarHBondContact O-N 3.34Å; G178-M181 PolarHBondContact O-N 3.2Å; M181-S185 PolarHBondContact O-N 3.06Å; M181-S185 PolarHBondContact O-OG 3.13Å
182L89.9Confident77.7Confident0 Ų071 Ų710%036%0.356CS..Hα-helixtrans-68.5-42174.5-70.9169.1000111.7A98 I126 G178 G179 A180 S185A98-L182 HydrophobicContact CB-CD1 4.04Å; I126-L182 HydrophobicContact CD1-CD1 3.79Å; G178-L182 WeakPolarHBondContact O-CG 3.26Å; G178-L182 PolarHBondContact O-N 3.47Å; G179-L182 PolarHBondContact O-N 3.15Å; A180-L182 VanDerWaalsContact C-N 3.35Å; L182-S185 WeakPolarHBondContact O-CB 3.28Å; L182-S185 PolarHBondContact O-N 3.42Å
183A89.3Confident75.1Confident18 Ų1875.5 Ų75.515%0.14939%0.385CS..Hα-helixtrans-66.8-38.417600000112.4I124 L127 G179 A180 S185I124-A183 HydrophobicContact CG1-CB 4.2Å; L127-A183 HydrophobicContact CD1-CB 4.24Å; G179-A183 WeakPolarHBondContact O-CB 3.43Å; G179-A183 PolarHBondContact O-N 3.46Å; A180-A183 PolarHBondContact O-N 2.89Å; A183-S185 PolarHBondContact O-N 3.2Å
184A86Confident72.7Confident70 Ų7076.3 Ų76.358%0.57940%0.403SS*.THydrogen-bonded Turntrans-73-7.1178.500000113.8A180 C186A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.27Å; A184-C186 PolarHBondContact O-N 3.31Å
185S73.9Confident70.4Confident2 Ų283 Ų831%0.01443%0.427CS..  trans-7326.7178.3-67.80000113.8A2 Q7 M181 L182 A183A2-S185 WeakPolarHBondContact CB-O 3.01Å; Q7-S185 WeakPolarHBondContact CG-OG 3.41Å; M181-S185 PolarHBondContact O-N 3.06Å; M181-S185 PolarHBondContact O-OG 3.13Å; L182-S185 WeakPolarHBondContact O-CB 3.28Å; L182-S185 PolarHBondContact O-N 3.42Å; A183-S185 PolarHBondContact O-N 3.2Å
186C64.4Low68.1Low62 Ų6288.6 Ų88.642%0.41946%0.463SS..  trans-50.3129.8178.6-680000111.6M120 A184 R188M120-C186 HydrophobicContact CE-CB 4Å; M120-C186 WeakPolarHBondContact CE-SG 3.3Å; A184-C186 PolarHBondContact O-N 3.31Å; C186-R188 VanDerWaalsContact C-N 3.35Å; C186-R188 PolarHBondContact O-N 3.46Å
187P59.2Low66.2Low51 Ų5195.9 Ų95.933%0.33150%0.498SS..  trans-63.810415825.4-25.7000106.4A116 E189A116-P187 HydrophobicContact CB-CG 4.01Å; P187-E189 PolarHBondContact O-N 2.95Å
188R51.6Low64.1Low230 Ų23097 Ų9787%0.86851%0.513SS*.  trans-51.2108.6166.8-116.3-179.3173.2162.5-2.2106.4C186 K190C186-R188 VanDerWaalsContact C-N 3.35Å; C186-R188 PolarHBondContact O-N 3.46Å; R188-K190 PolarHBondContact O-N 3.34Å
189E46.1Very low62.3Low178 Ų178102 Ų10283%0.83255%0.548SS*.  trans-58.5109.4164.3-169.4164.6-167.900104.9P187 R191P187-E189 PolarHBondContact O-N 2.95Å; E189-R191 VanDerWaalsContact C-N 3.25Å; E189-R191 PolarHBondContact O-N 3.47Å
190K37.6Very low60.4Low188 Ų188113.2 Ų113.282%0.81759%0.591SS**  trans-61.3105162.1-73.5-176.1179.3-175.90103.2R188 S192R188-K190 PolarHBondContact O-N 3.34Å; K190-S192 PolarHBondContact O-N 3.47Å
191R38.4Very low58.7Low236 Ų236116.6 Ų116.689%0.89161%0.609SS**  trans-53.998.8155.4-88.4-178.2174.9172.6-2104.2E189 P193E189-R191 VanDerWaalsContact C-N 3.25Å; E189-R191 PolarHBondContact O-N 3.47Å; R191-P193 WeakPolarHBondContact O-CD 3.45Å
192S40Very low56.7Low100 Ų100121.2 Ų121.270%0.69964%0.641SS**  trans-53.4125.8162.1-65.10000105K190 S194K190-S192 PolarHBondContact O-N 3.47Å; S192-S194 PolarHBondContact O-N 3.44Å
193P41.1Very low54.8Low94 Ų94126.3 Ų126.361%0.6168%0.677SS**  trans-53.6118.7168.418.3-24.7000105.9R191 Y195R191-P193 WeakPolarHBondContact O-CD 3.45Å; P193-Y195 HydrophobicContact CG-CE2 4.13Å; P193-Y195 WeakPolarHBondContact O-CD2 3.42Å; P193-Y195 PolarHBondContact O-N 3.14Å
194S45.6Very low53Low118 Ų118132.2 Ų132.283%0.82571%0.706SS**  trans-61.895.5172-169.30000105.3S192 P196S192-S194 PolarHBondContact O-N 3.44Å; S194-P196 WeakPolarHBondContact O-CD 3.3Å
195Y50.3Low51Low198 Ų198137.1 Ų137.178%0.77671%0.714SS**  trans-62.3121.2170.5-80.8-87.8000105.8P193 M197P193-Y195 HydrophobicContact CG-CE2 4.13Å; P193-Y195 WeakPolarHBondContact O-CD2 3.42Å; P193-Y195 PolarHBondContact O-N 3.14Å; Y195-M197 PolarHBondContact O-N 3.42Å
196P48.7Very low49.8Very low117 Ų117143.5 Ų143.576%0.7674%0.744SS**  trans-57.7130.8173.822.8-30000107.9S194 S198S194-P196 WeakPolarHBondContact O-CD 3.3Å; P196-S198 PolarHBondContact O-N 3.42Å
197M55.7Low49Very low192 Ų192147.7 Ų147.795%0.94676%0.762SS**  trans-57.4108.8176.9-162.6168-162.200107.7Y195 S199Y195-M197 PolarHBondContact O-N 3.42Å; M197-S199 PolarHBondContact O-N 3.14Å
198S52.3Low48.5Very low110 Ų110155 Ų15577%0.76979%0.785SS**  trans-64.2108.4175.2-179.50000107.8P196 R200P196-S198 PolarHBondContact O-N 3.42Å; S198-R200 PolarHBondContact O-N 2.97Å; S198-R200 VanDerWaalsContact O-N 3.12Å
199S57.5Low48.2Very low105 Ų105154.2 Ų154.273%0.73481%0.805SS**  trans-60.6110.4169.752.10000108.2M197M197-S199 PolarHBondContact O-N 3.14Å
200R55.6Low48.3Very low236 Ų236153 Ų15389%0.89180%0.803SS**PPolyproline II helixtrans-57.8129.3168.1-78.9179.7174.3175.1-2.2108.5S198S198-R200 PolarHBondContact O-N 2.97Å; S198-R200 VanDerWaalsContact O-N 3.12Å
201P56.8Low48.9Very low113 Ų113151.2 Ų151.273%0.73480%0.803SS**PPolyproline II helixtrans-66.3148.6172.126.5-31000110S203P201-S203 PolarHBondContact O-N 3.46Å
202P51.1Low49.5Very low127 Ų127146.4 Ų146.483%0.82580%0.798SS**PPolyproline II helixtrans-64.1127.3178.725.9-31.3000109.7N204P202-N204 PolarHBondContact O-N 3.45Å; P202-N204 VanDerWaalsContact O-N 3.09Å
203S50.1Low50Low107 Ų107149.2 Ų149.275%0.74880%0.804SS**  trans-69103.5172.8178.70000108.3P201 K205P201-S203 PolarHBondContact O-N 3.46Å; S203-K205 PolarHBondContact O-N 3.19Å; S203-K205 VanDerWaalsContact O-N 3.15Å
204N50.5Low50.6Low142 Ų142152.6 Ų152.676%0.75982%0.816SS**  trans-72.2100.6172.1-137.110.7000107.6P202 Q206P202-N204 PolarHBondContact O-N 3.45Å; P202-N204 VanDerWaalsContact O-N 3.09Å; N204-Q206 PolarHBondContact O-N 3.06Å
205K45.3Very low50.9Low173 Ų173154.9 Ų154.975%0.75282%0.815SS**  trans-83.4100.3164.7-75.4-172.2176.1-173.90107.2S203 D207S203-K205 PolarHBondContact O-N 3.19Å; S203-K205 VanDerWaalsContact O-N 3.15Å; K205-D207 PolarHBondContact O-N 3.07Å
206Q48.8Very low51Low137 Ų137151.9 Ų151.964%0.6482%0.818SS**  trans-78.9108.6160.5-85.4168.9-57.500107.2N204 Y208N204-Q206 PolarHBondContact O-N 3.06Å; Q206-Y208 HydrophobicContact CB-CE2 4.34Å; Q206-Y208 PolarHBondContact O-N 2.95Å
207D47.1Very low51.1Low149 Ų149154.5 Ų154.580%0.79782%0.822SS**  trans-70.2117.2166.1-67.3-39.5000108K205K205-D207 PolarHBondContact O-N 3.07Å
208Y48.8Very low50.8Low205 Ų205151.4 Ų151.480%0.80481%0.812SS**  trans-90122.3166-68-87000107.8Q206Q206-Y208 HydrophobicContact CB-CE2 4.34Å; Q206-Y208 PolarHBondContact O-N 2.95Å
209V45.3Very low50.6Low213 Ų213155.2 Ų155.2100%1.29182%0.816SS**  trans-96.80164.9-177.40000108.2

Retrieved 209 of 209 residues in 92.4 ms (Link to these results)

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