A0A087Y314_POEFO Loading...

Centromere protein M

AlphaFold DB , UniProt , Accession A0A087Y314, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 184 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
1M56.8Low79.4Confident154 Ų15483.9 Ų83.976%0.75944%0.435SS*.  0114.10-63.5-70.4-107.200107.4P52 Y88M1-P52 HydrophobicContact CE-CG 3.39Å; M1-P52 HydrophobicContact SD-CG 3.47Å; M1-P52 WeakPolarHBondContact SD-CG 3.45Å; M1-Y88 HydrophobicContact CE-CE1 3.88Å; M1-Y88 WeakPolarHBondContact CE-OH 3.45Å
2S70.3Confident80Confident30 Ų3085 Ų8521%0.2144%0.442CS..PPolyproline II helixtrans-87.6132-177.1-175.40000110.5D58S2-D58 PolarHBondContact OG-OD2 3.08Å
3L83.9Confident80.5Confident84 Ų8491.4 Ų91.444%0.4448%0.476SS..PPolyproline II helixtrans-84.1133.9173.1-67.6174.8000109.4K5 Y88 V90L3-K5 PolarHBondContact O-N 3.01Å; L3-Y88 WeakPolarHBondContact CA-O 3.44Å; L3-V90 HydrophobicContact CB-CG2 3.91Å; L3-V90 HydrophobicContact CD1-CG2 4.35Å
4L86Confident81.2Confident7 Ų790.3 Ų90.34%0.03747%0.471CS..BIsolated β-bridgetrans-71.2128.9175.1-67.6-178.3000110.1L19 L51 L53 R61 I64 Y88 L89 V90 Y93L4-L19 HydrophobicContact CD1-CD2 3.89Å; L4-L51 HydrophobicContact CD1-CD1 4.09Å; L4-L51 HydrophobicContact CD1-CD2 3.77Å; L4-L53 HydrophobicContact CD1-CD1 4.42Å; L4-L53 HydrophobicContact CD2-CD1 4.13Å; L4-R61 VanDerWaalsContact CD2-NH1 3.26Å; L4-I64 HydrophobicContact CD1-CD1 4.3Å; L4-I64 HydrophobicContact CD2-CD1 4.18Å; L4-Y88 PolarHBondContact N-O 2.93Å; L4-L89 HydrophobicContact CB-CD2 3.89Å; L4-L89 HydrophobicContact CD1-CD2 3.76Å; L4-L89 HydrophobicContact CG-CD2 4.31Å; L4-V90 WeakPolarHBondContact O-CB 3.28Å; L4-V90 VanDerWaalsContact O-CG2 3.28Å; L4-V90 WeakPolarHBondContact O-CG2 3.47Å; L4-V90 PolarHBondContact O-N 3.14Å; L4-V90 VanDerWaalsContact O-N 3.15Å; L4-Y93 VanDerWaalsContact C-CE2 3.49Å; L4-Y93 HydrophobicContact CB-CD2 4.47Å; L4-Y93 HydrophobicContact CB-CE2 3.72Å; L4-Y93 VanDerWaalsContact O-CE2 3.31Å; L4-Y93 WeakPolarHBondContact O-CE2 3.46Å
5K84.9Confident82Confident127 Ų12786 Ų8655%0.55245%0.45SS*.  trans-117.2124.8178.4-67.7173.4-174.7178.20110L3 F7 S8 V90L3-K5 PolarHBondContact O-N 3.01Å; K5-F7 VanDerWaalsContact C-N 3.32Å; K5-F7 PolarHBondContact O-N 3.1Å; K5-S8 PolarHBondContact O-OG 3.24Å; K5-V90 HydrophobicContact CG-CG2 3.87Å
6P78.7Confident82.8Confident4 Ų480.6 Ų80.63%0.02642%0.422CS..THydrogen-bonded Turntrans-76.3-17.1-174.924.7-26.8000114.2R63 Y93 K97P6-R63 PolarHBondContact O-NE 2.99Å; P6-Y93 HydrophobicContact CB-CD1 4.09Å; P6-Y93 HydrophobicContact CB-CD2 4.07Å; P6-Y93 HydrophobicContact CB-CE1 3.81Å; P6-Y93 HydrophobicContact CB-CE2 3.8Å; P6-Y93 HydrophobicContact CB-CG 4.19Å; P6-Y93 HydrophobicContact CG-CD2 3.84Å; P6-Y93 HydrophobicContact CG-CE2 3.93Å; P6-Y93 HydrophobicContact CG-CG 4.14Å; P6-Y93 VanDerWaalsContact N-CE2 3.31Å; P6-K97 HydrophobicContact CB-CD 3.7Å
7F75.8Confident83.5Confident140 Ų14076.3 Ų76.361%0.61440%0.4SS*.THydrogen-bonded Turntrans-122.517.8-173.2-52.5-64.9000113.2K5 K9K5-F7 VanDerWaalsContact C-N 3.32Å; K5-F7 PolarHBondContact O-N 3.1Å; F7-K9 VanDerWaalsContact C-N 3.35Å
8S81.1Confident84.2Confident78 Ų7872.1 Ų72.155%0.54538%0.378SS..SBendtrans-78.9-18.3179.352.90000113.8K5K5-S8 PolarHBondContact O-OG 3.24Å
9K85.7Confident84.9Confident67 Ų6768.4 Ų68.429%0.29136%0.358SS..SBendtrans-129.3151-177-61.1-170.4-177.8-164.40110.1F7 D58 E59 R61 R63F7-K9 VanDerWaalsContact C-N 3.35Å; K9-D58 PolarHBondContact NZ-O 3.09Å; K9-E59 PolarHBondContact NZ-O 3.43Å; K9-R61 WeakPolarHBondContact CD-O 3.41Å; K9-R61 VanDerWaalsContact CE-O 3.31Å; K9-R61 WeakPolarHBondContact CE-O 3.41Å; K9-R61 PolarHBondContact NZ-O 3.09Å; K9-R63 HydrophobicContact CB-CB 4Å; K9-R63 WeakPolarHBondContact O-CD 3.16Å
10L85.3Confident85.5Confident151 Ų15165 Ų6579%0.79134%0.34SS*.PPolyproline II helixtrans-71.3148.5178.4-64.9174.8000110.7
11P84.8Confident86Confident81 Ų8162 Ų6253%0.52633%0.325SS..PPolyproline II helixtrans-67.9143.616925.5-30.5000111.5
12D87.3Confident87.8Confident97 Ų9754.9 Ų54.952%0.51929%0.29SS..PPolyproline II helixtrans-89.4153.2168-62.6-53000110.8N14 T15D12-N14 PolarHBondContact O-N 3.31Å; D12-T15 HydrophobicContact CB-CG2 4.47Å
13L86.6Confident88.9Confident168 Ų16856.1 Ų56.188%0.8829%0.294SS*.THydrogen-bonded Turntrans-71.7128.3-175.4-158.3128.6000111.1T15L13-T15 PolarHBondContact O-N 3.35Å; L13-T15 PolarHBondContact O-OG1 3.17Å
14N90.3Very high88.7Confident76 Ų7654.4 Ų54.441%0.40628%0.284SS..THydrogen-bonded Turntrans53.630.2-179.2-158.943.1000115.1D12 A40 V41 T42D12-N14 PolarHBondContact O-N 3.31Å; N14-A40 PolarHBondContact ND2-O 3.2Å; N14-V41 VanDerWaalsContact O-CG1 3.32Å; N14-V41 WeakPolarHBondContact O-CG1 3.4Å; N14-T42 PolarHBondContact O-N 3.17Å
15T93.1Very high88.2Confident26 Ų2659 Ų5916%0.1631%0.305CS..EExtended strand (participates in β ladder)trans-117.7145-179.7-58.40000110.3D12 L13 T42D12-T15 HydrophobicContact CB-CG2 4.47Å; L13-T15 PolarHBondContact O-N 3.35Å; L13-T15 PolarHBondContact O-OG1 3.17Å; T15-T42 CarbonylContact C-O 3.59Å; T15-T42 VanDerWaalsContact CA-O 3.31Å; T15-T42 WeakPolarHBondContact CA-O 3.12Å; T15-T42 WeakPolarHBondContact CG2-O 3.36Å
16A94.9Very high88Confident0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-132.3124.917100000110.6V41 T42 V43 T44 L151 L157A16-V41 HydrophobicContact CB-CG1 4.11Å; A16-T42 PolarHBondContact N-O 3.45Å; A16-V43 WeakPolarHBondContact O-CA 3.5Å; A16-T44 PolarHBondContact O-N 3.41Å; A16-L151 HydrophobicContact CB-CD1 3.97Å; A16-L151 HydrophobicContact CB-CD2 3.87Å; A16-L151 HydrophobicContact CB-CG 3.7Å; A16-L157 HydrophobicContact CB-CD1 4.12Å
17N95Very high88.5Confident7 Ų760.1 Ų60.14%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-108.1121.1-176-64.5-75.1000110.6T44 R63 D65 L66N17-T44 WeakPolarHBondContact CA-O 3.48Å; N17-T44 VanDerWaalsContact OD1-CB 3.28Å; N17-T44 WeakPolarHBondContact OD1-CB 3.4Å; N17-R63 WeakPolarHBondContact CB-O 3.31Å; N17-R63 PolarHBondContact ND2-O 2.93Å; N17-R63 VanDerWaalsContact ND2-O 3.16Å; N17-D65 PolarHBondContact N-OD2 3.41Å; N17-D65 WeakPolarHBondContact O-CB 3.37Å; N17-D65 PolarHBondContact O-N 3.42Å; N17-L66 PolarHBondContact O-N 3.37Å
18I96.1Very high89.3Confident1 Ų153.5 Ų53.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-117.6134.7-179.4-169.3169.6000110.8L20 L35 V43 T44 V45 R46 L66 V68 L147 L151I18-L20 HydrophobicContact CD1-CD2 3.9Å; I18-L20 HydrophobicContact CG1-CD2 4.01Å; I18-L35 HydrophobicContact CD1-CD1 4.21Å; I18-L35 HydrophobicContact CG2-CD1 4.31Å; I18-V43 HydrophobicContact CG2-CG1 4.36Å; I18-T44 PolarHBondContact N-O 2.99Å; I18-V45 HydrophobicContact CG2-CB 4.08Å; I18-V45 HydrophobicContact CG2-CG1 4.06Å; I18-V45 HydrophobicContact CG2-CG2 3.72Å; I18-R46 PolarHBondContact O-N 3.37Å; I18-L66 WeakPolarHBondContact CA-O 3.32Å; I18-L66 HydrophobicContact CD1-CD2 3.99Å; I18-L66 HydrophobicContact CG1-CB 4.3Å; I18-L66 HydrophobicContact CG1-CD2 4.43Å; I18-L66 HydrophobicContact CG1-CG 4.47Å; I18-V68 HydrophobicContact CD1-CG2 3.73Å; I18-V68 HydrophobicContact CG1-CG2 3.97Å; I18-L147 HydrophobicContact CD1-CD1 4.2Å; I18-L147 HydrophobicContact CD1-CD2 3.64Å; I18-L147 HydrophobicContact CD1-CG 3.74Å; I18-L151 HydrophobicContact CB-CD1 3.95Å; I18-L151 HydrophobicContact CB-CD2 3.98Å; I18-L151 HydrophobicContact CD1-CD2 4.3Å; I18-L151 HydrophobicContact CG1-CD1 4.49Å; I18-L151 HydrophobicContact CG2-CD2 4.21Å
19L96.4Very high89.8Confident1 Ų154.3 Ų54.31%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-106.2111.7171.3178.166.2000108.8L4 V21 R46 A48 L51 L53 I64 L66 V67 V68L4-L19 HydrophobicContact CD1-CD2 3.89Å; L19-V21 HydrophobicContact CD2-CG2 4.05Å; L19-V21 HydrophobicContact CG-CG2 3.93Å; L19-R46 WeakPolarHBondContact CA-O 3.36Å; L19-R46 HydrophobicContact CD1-CB 3.85Å; L19-A48 HydrophobicContact CD1-CB 4.04Å; L19-L51 HydrophobicContact CD2-CD2 4.14Å; L19-L53 HydrophobicContact CD1-CD1 4.49Å; L19-L53 HydrophobicContact CD2-CD1 4.14Å; L19-I64 HydrophobicContact CB-CD1 4.34Å; L19-I64 HydrophobicContact CB-CG2 3.73Å; L19-I64 HydrophobicContact CD2-CD1 4.06Å; L19-L66 PolarHBondContact N-O 2.92Å; L19-V67 HydrophobicContact CB-CG2 4.41Å; L19-V67 HydrophobicContact CD2-CG1 4.33Å; L19-V67 HydrophobicContact CD2-CG2 4.39Å; L19-V67 CarbonylContact O-C 3.48Å; L19-V67 WeakPolarHBondContact O-CA 3.46Å; L19-V68 PolarHBondContact O-N 2.91Å
20L96.9Very high90.1Very high0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-87.3131.5169.3-54.4-177.8000108.1I18 Q28 L31 A32 L35 V45 R46 L47 A48 V68 I70 L147I18-L20 HydrophobicContact CD1-CD2 3.9Å; I18-L20 HydrophobicContact CG1-CD2 4.01Å; L20-Q28 HydrophobicContact CB-CG 3.79Å; L20-Q28 HydrophobicContact CD1-CG 4.02Å; L20-Q28 PolarHBondContact O-NE2 3.16Å; L20-L31 HydrophobicContact CD1-CB 4.44Å; L20-L31 HydrophobicContact CD1-CD2 4.12Å; L20-L31 HydrophobicContact CD1-CG 4.41Å; L20-L31 HydrophobicContact CD2-CD2 4.18Å; L20-A32 HydrophobicContact CD1-CB 4.24Å; L20-L35 HydrophobicContact CD1-CD1 4.31Å; L20-L35 HydrophobicContact CD2-CD1 4.48Å; L20-V45 HydrophobicContact CD1-CG1 3.76Å; L20-V45 HydrophobicContact CG-CG1 4.02Å; L20-R46 PolarHBondContact N-O 3.49Å; L20-L47 HydrophobicContact CB-CD2 4.05Å; L20-L47 HydrophobicContact CD1-CD2 3.93Å; L20-L47 HydrophobicContact CG-CD2 4.3Å; L20-A48 PolarHBondContact O-N 3.25Å; L20-V68 HydrophobicContact CD2-CB 3.79Å; L20-V68 HydrophobicContact CD2-CG1 4.39Å; L20-V68 HydrophobicContact CD2-CG2 3.91Å; L20-I70 HydrophobicContact CB-CD1 4.31Å; L20-L147 HydrophobicContact CD2-CD2 4.14Å
21V96.6Very high90.4Very high4 Ų447 Ų472%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-121.7113.1176.6-172.70000108.3L19 A48 V67 V68 F69 I70L19-V21 HydrophobicContact CD2-CG2 4.05Å; L19-V21 HydrophobicContact CG-CG2 3.93Å; V21-A48 VanDerWaalsContact CA-O 3.31Å; V21-A48 WeakPolarHBondContact CA-O 3.47Å; V21-V67 HydrophobicContact CG2-CG1 4.06Å; V21-V68 PolarHBondContact N-O 3.03Å; V21-F69 HydrophobicContact CB-CD1 3.79Å; V21-F69 HydrophobicContact CB-CE1 3.96Å; V21-F69 HydrophobicContact CG1-CD1 3.91Å; V21-F69 HydrophobicContact CG1-CE1 3.88Å; V21-F69 HydrophobicContact CG2-CD1 4.4Å; V21-F69 HydrophobicContact CG2-CE1 4.16Å; V21-I70 PolarHBondContact O-N 3.21Å
22E95.4Very high90.9Very high4 Ų443.4 Ų43.42%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-142.1125.8-179.9-165.4179.4-157.300109.7E24 F27 Q28 A48 K49 I70E22-E24 VanDerWaalsContact C-N 3.27Å; E22-E24 WeakPolarHBondContact CG-O 3.29Å; E22-E24 PolarHBondContact O-N 3.33Å; E22-F27 PolarHBondContact OE2-N 3.41Å; E22-Q28 HydrophobicContact CB-CB 3.97Å; E22-Q28 WeakPolarHBondContact OE2-CA 3.3Å; E22-Q28 WeakPolarHBondContact OE2-CB 3.49Å; E22-Q28 PolarHBondContact OE2-N 3.27Å; E22-A48 PolarHBondContact N-O 3.44Å; E22-K49 CarbonylContact C-O 3.57Å; E22-K49 VanDerWaalsContact O-CA 3.28Å; E22-K49 WeakPolarHBondContact O-CA 3.47Å; E22-I70 HydrophobicContact CB-CB 3.95Å; E22-I70 HydrophobicContact CB-CD1 4.39Å; E22-I70 HydrophobicContact CG-CB 3.83Å; E22-I70 HydrophobicContact CG-CG2 3.91Å; E22-I70 VanDerWaalsContact OE1-CG2 3.3Å; E22-I70 WeakPolarHBondContact OE1-CG2 2.89Å
23N92Very high91.2Very high56 Ų5642.9 Ų42.930%0.29922%0.217SC..SBendtrans-68-30179.4-174.273000112.9K49 S81N23-K49 WeakPolarHBondContact CA-O 3.39Å; N23-K49 PolarHBondContact N-O 3.45Å; N23-S81 PolarHBondContact OD1-OG 3.42Å
24E80.6Confident91.4Very high48 Ų4836.2 Ų36.222%0.22418%0.183CC..SBendtrans-116.6106.7-177.2-65.8173.9178.700107.6E22 Q26 N72 S75E22-E24 VanDerWaalsContact C-N 3.27Å; E22-E24 WeakPolarHBondContact CG-O 3.29Å; E22-E24 PolarHBondContact O-N 3.33Å; E24-Q26 PolarHBondContact O-N 3.12Å; E24-N72 PolarHBondContact OE2-ND2 3.36Å; E24-S75 WeakPolarHBondContact OE1-CB 3.42Å; E24-S75 PolarHBondContact OE1-OG 3.16Å
25E74.8Confident91.6Very high104 Ų10432.6 Ų32.649%0.48616%0.164SC..THydrogen-bonded Turntrans-72.538.2-169.5-63.9174.2149.600114.6K49E25-K49 HydrophobicContact CG-CG 4.38Å; E25-K49 WeakPolarHBondContact OE1-CE 3.28Å; E25-K49 IonicContact OE1-NZ 2.84Å; E25-K49 WeakPolarHBondContact OE2-CE 3.31Å; E25-K49 IonicContact OE2-NZ 3.19Å; E25-K49 PolarHBondContact OE2-NZ 2.91Å; E25-K49 VanDerWaalsContact OE2-NZ 3.16Å
26Q81.8Confident91.6Very high147 Ų14735.6 Ų35.669%0.68718%0.182SC*.THydrogen-bonded Turntrans-83.1-45.1-177-67.6-175.8-11.800112.3E24E24-Q26 PolarHBondContact O-N 3.12Å
27F88.4Confident91.4Very high6 Ų642.5 Ų42.53%0.02622%0.215CC..SBendtrans-99.5-33.5-173.4-176.3-116.6000112.8E22 Q29 N30 L31 I70 M101 T103 A132 D134 A140E22-F27 PolarHBondContact OE2-N 3.41Å; F27-Q29 VanDerWaalsContact C-N 3.33Å; F27-Q29 PolarHBondContact O-N 3.09Å; F27-N30 PolarHBondContact O-N 3.11Å; F27-L31 HydrophobicContact CE1-CB 4.27Å; F27-L31 HydrophobicContact CE1-CD1 4.27Å; F27-L31 HydrophobicContact CE1-CD2 4.05Å; F27-L31 HydrophobicContact CE1-CG 4.44Å; F27-L31 HydrophobicContact CZ-CB 4.46Å; F27-L31 HydrophobicContact CZ-CD1 4.2Å; F27-L31 PolarHBondContact O-N 3.4Å; F27-I70 HydrophobicContact CD1-CD1 4.33Å; F27-I70 HydrophobicContact CD1-CG2 3.97Å; F27-M101 HydrophobicContact CE1-SD 3.8Å; F27-T103 HydrophobicContact CB-CG2 4.31Å; F27-T103 HydrophobicContact CD1-CG2 3.67Å; F27-T103 HydrophobicContact CE1-CG2 4.15Å; F27-T103 HydrophobicContact CG-CG2 4Å; F27-A132 HydrophobicContact CE1-CB 3.72Å; F27-A132 HydrophobicContact CZ-CB 3.81Å; F27-D134 HydrophobicContact CD2-CB 3.47Å; F27-D134 VanDerWaalsContact CD2-CB 3.47Å; F27-D134 HydrophobicContact CE2-CB 3.82Å; F27-D134 HydrophobicContact CG-CB 4.07Å; F27-A140 HydrophobicContact CE2-CB 3.94Å; F27-A140 HydrophobicContact CZ-CB 4.48Å
28Q92.3Very high91.1Very high1 Ų144.5 Ų44.51%0.00522%0.224CC..Hα-helixtrans-54.3-42.5-176.9173.4-177.95300113.5L20 E22 A32 L47 A48 I70L20-Q28 HydrophobicContact CB-CG 3.79Å; L20-Q28 HydrophobicContact CD1-CG 4.02Å; L20-Q28 PolarHBondContact O-NE2 3.16Å; E22-Q28 HydrophobicContact CB-CB 3.97Å; E22-Q28 WeakPolarHBondContact OE2-CA 3.3Å; E22-Q28 WeakPolarHBondContact OE2-CB 3.49Å; E22-Q28 PolarHBondContact OE2-N 3.27Å; Q28-A32 VanDerWaalsContact O-CB 3.26Å; Q28-A32 WeakPolarHBondContact O-CB 3.33Å; Q28-A32 PolarHBondContact O-N 3.02Å; Q28-L47 HydrophobicContact CG-CB 4.34Å; Q28-L47 HydrophobicContact CG-CD1 4.11Å; Q28-L47 HydrophobicContact CG-CD2 3.41Å; Q28-L47 VanDerWaalsContact CG-CD2 3.41Å; Q28-L47 HydrophobicContact CG-CG 4.14Å; Q28-A48 PolarHBondContact NE2-O 3.1Å; Q28-I70 HydrophobicContact CB-CD1 4.01Å
29Q91.9Very high90.6Very high95 Ų9551 Ų5144%0.44426%0.263SS..Hα-helixtrans-68.8-41.8-179.7-173.763.355.500111.9F27 A32 N33F27-Q29 VanDerWaalsContact C-N 3.33Å; F27-Q29 PolarHBondContact O-N 3.09Å; Q29-A32 PolarHBondContact O-N 2.92Å; Q29-N33 PolarHBondContact NE2-OD1 2.78Å; Q29-N33 PolarHBondContact O-N 2.92Å; Q29-N33 PolarHBondContact O-ND2 2.92Å; Q29-N33 PolarHBondContact O-OD1 2.74Å
30N91.6Very high90.2Very high65 Ų6553.8 Ų53.835%0.34829%0.287SS..Hα-helixtrans-62.9-48.2177.3-172.422000110.3F27 A32 N33 T34 A140F27-N30 PolarHBondContact O-N 3.11Å; N30-A32 VanDerWaalsContact C-N 3.31Å; N30-A32 PolarHBondContact O-N 3.44Å; N30-N33 PolarHBondContact O-N 3.04Å; N30-T34 PolarHBondContact O-N 3.17Å; N30-T34 VanDerWaalsContact O-N 3.13Å; N30-T34 PolarHBondContact O-OG1 3.49Å; N30-A140 WeakPolarHBondContact ND2-CB 3.43Å
31L92.9Very high90Very high0 Ų054.5 Ų54.50%029%0.291CS..Hα-helixtrans-58.9-42.5176.2-171.267.9000111.7L20 F27 T34 L35 I70 M101 A144 L147L20-L31 HydrophobicContact CD1-CB 4.44Å; L20-L31 HydrophobicContact CD1-CD2 4.12Å; L20-L31 HydrophobicContact CD1-CG 4.41Å; L20-L31 HydrophobicContact CD2-CD2 4.18Å; F27-L31 HydrophobicContact CE1-CB 4.27Å; F27-L31 HydrophobicContact CE1-CD1 4.27Å; F27-L31 HydrophobicContact CE1-CD2 4.05Å; F27-L31 HydrophobicContact CE1-CG 4.44Å; F27-L31 HydrophobicContact CZ-CB 4.46Å; F27-L31 HydrophobicContact CZ-CD1 4.2Å; F27-L31 PolarHBondContact O-N 3.4Å; L31-T34 PolarHBondContact O-N 3.35Å; L31-L35 HydrophobicContact CG-CD1 4.09Å; L31-L35 HydrophobicContact CG-CG 4.43Å; L31-L35 WeakPolarHBondContact O-CB 3.19Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.49Å; L31-I70 HydrophobicContact CD2-CD1 4Å; L31-M101 HydrophobicContact CD2-SD 3.92Å; L31-A144 HydrophobicContact CD1-CB 3.82Å; L31-L147 HydrophobicContact CD2-CD2 3.83Å; L31-L147 HydrophobicContact CG-CD2 4.46Å
32A94.1Very high89.9Confident6 Ų658.3 Ų58.35%0.0532%0.315CS..Hα-helixtrans-61.2-44.9177.700000112.5L20 Q28 Q29 N30 T34 L35 V36 V45 L47L20-A32 HydrophobicContact CD1-CB 4.24Å; Q28-A32 VanDerWaalsContact O-CB 3.26Å; Q28-A32 WeakPolarHBondContact O-CB 3.33Å; Q28-A32 PolarHBondContact O-N 3.02Å; Q29-A32 PolarHBondContact O-N 2.92Å; N30-A32 VanDerWaalsContact C-N 3.31Å; N30-A32 PolarHBondContact O-N 3.44Å; A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 2.95Å; A32-L35 PolarHBondContact O-N 2.7Å; A32-V36 VanDerWaalsContact O-CG2 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.32Å; A32-V36 PolarHBondContact O-N 2.88Å; A32-V36 VanDerWaalsContact O-N 3.09Å; A32-V45 HydrophobicContact CB-CB 4.27Å; A32-V45 HydrophobicContact CB-CG1 3.58Å; A32-L47 HydrophobicContact CB-CD2 4.02Å
33N92.7Very high89.8Confident85 Ų8558.9 Ų58.946%0.45532%0.319SS..Hα-helixtrans-59.3-46.4177.8-65.9-14.9000110.7Q29 N30 L35 V36 E37Q29-N33 PolarHBondContact NE2-OD1 2.78Å; Q29-N33 PolarHBondContact O-N 2.92Å; Q29-N33 PolarHBondContact O-ND2 2.92Å; Q29-N33 PolarHBondContact O-OD1 2.74Å; N30-N33 PolarHBondContact O-N 3.04Å; N33-L35 VanDerWaalsContact C-N 3.34Å; N33-L35 PolarHBondContact O-N 3.27Å; N33-V36 PolarHBondContact O-N 3.29Å; N33-E37 PolarHBondContact O-N 3.35Å
34T92.7Very high89.9Confident28 Ų2858.7 Ų58.717%0.17232%0.319CS..Hα-helixtrans-67.9-31.9178.8-45.20000113.3N30 L31 A32 E37 A141 A144N30-T34 PolarHBondContact O-N 3.17Å; N30-T34 VanDerWaalsContact O-N 3.13Å; N30-T34 PolarHBondContact O-OG1 3.49Å; L31-T34 PolarHBondContact O-N 3.35Å; A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 2.95Å; T34-E37 PolarHBondContact O-N 3.49Å; T34-A141 HydrophobicContact CG2-CB 4.22Å; T34-A144 HydrophobicContact CG2-CB 3.69Å
35L93.9Very high90.6Very high0 Ų057.9 Ų57.90%032%0.317CS..Hα-helixtrans-69-33.6176.3-73.6171.8000112.5I18 L20 L31 A32 N33 E37 E38 V43 V45 A144 L147 L148I18-L35 HydrophobicContact CD1-CD1 4.21Å; I18-L35 HydrophobicContact CG2-CD1 4.31Å; L20-L35 HydrophobicContact CD1-CD1 4.31Å; L20-L35 HydrophobicContact CD2-CD1 4.48Å; L31-L35 HydrophobicContact CG-CD1 4.09Å; L31-L35 HydrophobicContact CG-CG 4.43Å; L31-L35 WeakPolarHBondContact O-CB 3.19Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.49Å; A32-L35 PolarHBondContact O-N 2.7Å; N33-L35 VanDerWaalsContact C-N 3.34Å; N33-L35 PolarHBondContact O-N 3.27Å; L35-E37 VanDerWaalsContact C-N 3.29Å; L35-E38 WeakPolarHBondContact O-CB 3.46Å; L35-E38 PolarHBondContact O-N 2.84Å; L35-V43 HydrophobicContact CB-CG1 4.37Å; L35-V45 HydrophobicContact CB-CG2 3.86Å; L35-V45 HydrophobicContact CD1-CG2 4.21Å; L35-A144 HydrophobicContact CD2-CB 4.11Å; L35-A144 HydrophobicContact CG-CB 4.38Å; L35-L147 HydrophobicContact CD1-CD2 4.1Å; L35-L147 HydrophobicContact CD2-CD2 4.49Å; L35-L148 HydrophobicContact CD2-CD1 4.14Å; L35-L148 HydrophobicContact CD2-CD2 3.83Å; L35-L148 HydrophobicContact CD2-CG 3.53Å
36V93.8Very high91.5Very high89 Ų8956.6 Ų56.654%0.53931%0.308SS..Hα-helixtrans-74.9-20.3-179.9173.70000112A32 N33 E38 V45A32-V36 VanDerWaalsContact O-CG2 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.32Å; A32-V36 PolarHBondContact O-N 2.88Å; A32-V36 VanDerWaalsContact O-N 3.09Å; N33-V36 PolarHBondContact O-N 3.29Å; V36-E38 PolarHBondContact O-N 3.15Å; V36-V45 HydrophobicContact CG2-CB 4.48Å; V36-V45 HydrophobicContact CG2-CG2 3.84Å
37E90.6Very high92.1Very high146 Ų14652.8 Ų52.868%0.68229%0.292SS*.THydrogen-bonded Turntrans-69.7-8.4173.8-69.1174.7-176.600113.7N33 T34 L35 T39N33-E37 PolarHBondContact O-N 3.35Å; T34-E37 PolarHBondContact O-N 3.49Å; L35-E37 VanDerWaalsContact C-N 3.29Å; E37-T39 PolarHBondContact O-N 3.07Å
38E87.8Confident92.4Very high48 Ų4853 Ų5322%0.22430%0.295CS..  trans-62.9127.2174.4175.263.3-106.100111.4L35 V36 A40 V43 L148 K152L35-E38 WeakPolarHBondContact O-CB 3.46Å; L35-E38 PolarHBondContact O-N 2.84Å; V36-E38 PolarHBondContact O-N 3.15Å; E38-A40 VanDerWaalsContact OE1-CB 3.3Å; E38-A40 WeakPolarHBondContact OE1-CB 3.26Å; E38-A40 PolarHBondContact OE1-N 3.34Å; E38-V43 HydrophobicContact CB-CG2 4.04Å; E38-V43 HydrophobicContact CG-CG2 4.05Å; E38-L148 HydrophobicContact CB-CD1 4.18Å; E38-L148 HydrophobicContact CB-CD2 4.06Å; E38-L148 HydrophobicContact CG-CD2 4.12Å; E38-K152 VanDerWaalsContact CD-NZ 3.32Å; E38-K152 IonicContact OE1-NZ 2.78Å; E38-K152 WeakPolarHBondContact OE2-CE 3.26Å; E38-K152 IonicContact OE2-NZ 3.27Å; E38-K152 PolarHBondContact OE2-NZ 3.4Å
39T85.3Confident92.5Very high137 Ų13758.3 Ų58.384%0.8432%0.318SS*.  trans-103.6-18.9-174.156.20000113.7E37E37-T39 PolarHBondContact O-N 3.07Å
40A89.4Confident92.6Very high61 Ų6156.4 Ų56.450%0.50432%0.315SS..SBendtrans-74.9-26.6-177.100000113.2N14 E38N14-A40 PolarHBondContact ND2-O 3.2Å; E38-A40 VanDerWaalsContact OE1-CB 3.3Å; E38-A40 WeakPolarHBondContact OE1-CB 3.26Å; E38-A40 PolarHBondContact OE1-N 3.34Å
41V91.6Very high92.6Very high14 Ų1453.7 Ų53.79%0.08530%0.301CS..SBendtrans-142.7143.9-171.2176.20000108.6N14 A16 V43 L157N14-V41 VanDerWaalsContact O-CG1 3.32Å; N14-V41 WeakPolarHBondContact O-CG1 3.4Å; A16-V41 HydrophobicContact CB-CG1 4.11Å; V41-V43 PolarHBondContact O-N 2.83Å; V41-V43 VanDerWaalsContact O-N 3.1Å; V41-L157 HydrophobicContact CB-CD1 4.16Å; V41-L157 HydrophobicContact CG1-CD1 3.25Å; V41-L157 HydrophobicContact CG2-CD1 3.76Å
42T93.8Very high92.6Very high85 Ų8555.3 Ų55.352%0.52131%0.311SS..EExtended strand (participates in β ladder)trans-73.3102.5172.1-56.90000110.3N14 T15 A16N14-T42 PolarHBondContact O-N 3.17Å; T15-T42 CarbonylContact C-O 3.59Å; T15-T42 VanDerWaalsContact CA-O 3.31Å; T15-T42 WeakPolarHBondContact CA-O 3.12Å; T15-T42 WeakPolarHBondContact CG2-O 3.36Å; A16-T42 PolarHBondContact N-O 3.45Å
43V95Very high92.4Very high16 Ų1656.1 Ų56.110%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-92.4118.2177.7-179.10000110A16 I18 L35 E38 V41 V45 L148 L151A16-V43 WeakPolarHBondContact O-CA 3.5Å; I18-V43 HydrophobicContact CG2-CG1 4.36Å; L35-V43 HydrophobicContact CB-CG1 4.37Å; E38-V43 HydrophobicContact CB-CG2 4.04Å; E38-V43 HydrophobicContact CG-CG2 4.05Å; V41-V43 PolarHBondContact O-N 2.83Å; V41-V43 VanDerWaalsContact O-N 3.1Å; V43-V45 HydrophobicContact CG1-CG2 3.93Å; V43-L148 HydrophobicContact CG2-CD2 3.84Å; V43-L151 HydrophobicContact CG1-CD2 3.85Å; V43-L151 HydrophobicContact CG2-CD2 4.44Å
44T93.9Very high92.1Very high52 Ų5255.9 Ų55.932%0.31932%0.318SS..EExtended strand (participates in β ladder)trans-103.8117.2173.5-59.80000109.5A16 N17 I18A16-T44 PolarHBondContact O-N 3.41Å; N17-T44 WeakPolarHBondContact CA-O 3.48Å; N17-T44 VanDerWaalsContact OD1-CB 3.28Å; N17-T44 WeakPolarHBondContact OD1-CB 3.4Å; I18-T44 PolarHBondContact N-O 2.99Å
45V95.1Very high91.5Very high30 Ų3060.3 Ų60.318%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-102.8124.5-178.4-174.10000109.9I18 L20 A32 L35 V36 V43 L47I18-V45 HydrophobicContact CG2-CB 4.08Å; I18-V45 HydrophobicContact CG2-CG1 4.06Å; I18-V45 HydrophobicContact CG2-CG2 3.72Å; L20-V45 HydrophobicContact CD1-CG1 3.76Å; L20-V45 HydrophobicContact CG-CG1 4.02Å; A32-V45 HydrophobicContact CB-CB 4.27Å; A32-V45 HydrophobicContact CB-CG1 3.58Å; L35-V45 HydrophobicContact CB-CG2 3.86Å; L35-V45 HydrophobicContact CD1-CG2 4.21Å; V36-V45 HydrophobicContact CG2-CB 4.48Å; V36-V45 HydrophobicContact CG2-CG2 3.84Å; V43-V45 HydrophobicContact CG1-CG2 3.93Å; V45-L47 HydrophobicContact CG1-CD2 3.78Å
46R93.6Very high90.8Very high77 Ų7767.9 Ų67.929%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-110.9138.2171.4-72.5-163.1159.6-156.3-1110.3I18 L19 L20 P62I18-R46 PolarHBondContact O-N 3.37Å; L19-R46 WeakPolarHBondContact CA-O 3.36Å; L19-R46 HydrophobicContact CD1-CB 3.85Å; L20-R46 PolarHBondContact N-O 3.49Å; R46-P62 VanDerWaalsContact NH2-CD 3.32Å
47L94.6Very high90.1Very high68 Ų6867.9 Ų67.936%0.35637%0.37SS..EExtended strand (participates in β ladder)trans-108.5140.2-179.5-51.4-168.5000109.8L20 Q28 A32 V45L20-L47 HydrophobicContact CB-CD2 4.05Å; L20-L47 HydrophobicContact CD1-CD2 3.93Å; L20-L47 HydrophobicContact CG-CD2 4.3Å; Q28-L47 HydrophobicContact CG-CB 4.34Å; Q28-L47 HydrophobicContact CG-CD1 4.11Å; Q28-L47 HydrophobicContact CG-CD2 3.41Å; Q28-L47 VanDerWaalsContact CG-CD2 3.41Å; Q28-L47 HydrophobicContact CG-CG 4.14Å; A32-L47 HydrophobicContact CB-CD2 4.02Å; V45-L47 HydrophobicContact CG1-CD2 3.78Å
48A94.3Very high89.5Confident10 Ų1063.4 Ų63.48%0.08335%0.351CS..EExtended strand (participates in β ladder)trans-145.7148.9171.200000110.6L19 L20 V21 E22 Q28 L53L19-A48 HydrophobicContact CD1-CB 4.04Å; L20-A48 PolarHBondContact O-N 3.25Å; V21-A48 VanDerWaalsContact CA-O 3.31Å; V21-A48 WeakPolarHBondContact CA-O 3.47Å; E22-A48 PolarHBondContact N-O 3.44Å; Q28-A48 PolarHBondContact NE2-O 3.1Å; A48-L53 HydrophobicContact CB-CD2 3.59Å
49K93.6Very high89Confident112 Ų11269.4 Ų69.449%0.48738%0.379SS..SBendtrans-79.3-38.4173.6-67.4-172.3177-174.10113E22 N23 E25E22-K49 CarbonylContact C-O 3.57Å; E22-K49 VanDerWaalsContact O-CA 3.28Å; E22-K49 WeakPolarHBondContact O-CA 3.47Å; N23-K49 WeakPolarHBondContact CA-O 3.39Å; N23-K49 PolarHBondContact N-O 3.45Å; E25-K49 HydrophobicContact CG-CG 4.38Å; E25-K49 WeakPolarHBondContact OE1-CE 3.28Å; E25-K49 IonicContact OE1-NZ 2.84Å; E25-K49 WeakPolarHBondContact OE2-CE 3.31Å; E25-K49 IonicContact OE2-NZ 3.19Å; E25-K49 PolarHBondContact OE2-NZ 2.91Å; E25-K49 VanDerWaalsContact OE2-NZ 3.16Å
50S93.7Very high88.8Confident55 Ų5566.8 Ų66.839%0.38537%0.366SS..SBendtrans-161.2171.5-179.256.70000109.3
51L93.3Very high88.6Confident8 Ų864.6 Ų64.64%0.04235%0.345CS..SBendtrans-104.1150.9169.9-62.6176.3000110.1L4 L19 L53 F69 S85 Y88 L89L4-L51 HydrophobicContact CD1-CD1 4.09Å; L4-L51 HydrophobicContact CD1-CD2 3.77Å; L19-L51 HydrophobicContact CD2-CD2 4.14Å; L51-L53 HydrophobicContact CD2-CD2 3.82Å; L51-L53 HydrophobicContact CD2-CG 3.73Å; L51-F69 HydrophobicContact CD1-CE1 4.29Å; L51-F69 HydrophobicContact CD1-CZ 3.98Å; L51-S85 PolarHBondContact N-OG 3.47Å; L51-Y88 HydrophobicContact CB-CD2 3.83Å; L51-Y88 HydrophobicContact CB-CG 4.31Å; L51-Y88 VanDerWaalsContact O-CD2 3.27Å; L51-Y88 WeakPolarHBondContact O-CD2 3.49Å; L51-Y88 WeakPolarHBondContact O-CE2 3.25Å; L51-L89 HydrophobicContact CD1-CD2 3.63Å; L51-L89 HydrophobicContact CD1-CG 4.03Å
52P92.1Very high88.4Confident34 Ų3465.4 Ų65.422%0.22135%0.351CS..SBendcis-85.2159.39.532.6-26.2000113M1 Y88M1-P52 HydrophobicContact CE-CG 3.39Å; M1-P52 HydrophobicContact SD-CG 3.47Å; M1-P52 WeakPolarHBondContact SD-CG 3.45Å; P52-Y88 HydrophobicContact CB-CD1 3.9Å; P52-Y88 HydrophobicContact CB-CD2 4.35Å; P52-Y88 HydrophobicContact CB-CE1 4.3Å; P52-Y88 HydrophobicContact CB-CG 3.92Å; P52-Y88 VanDerWaalsContact CD-CE2 3.5Å; P52-Y88 HydrophobicContact CG-CD1 4.04Å; P52-Y88 HydrophobicContact CG-CD2 4.46Å; P52-Y88 HydrophobicContact CG-CE1 3.91Å; P52-Y88 HydrophobicContact CG-CE2 4.33Å; P52-Y88 HydrophobicContact CG-CG 4.3Å
53L89.1Confident88.2Confident23 Ų2363 Ų6312%0.1233%0.332CS..PPolyproline II helixtrans-73.7151.5174.5-62.4-177.2000111.2L4 L19 A48 L51 R61 I64L4-L53 HydrophobicContact CD1-CD1 4.42Å; L4-L53 HydrophobicContact CD2-CD1 4.13Å; L19-L53 HydrophobicContact CD1-CD1 4.49Å; L19-L53 HydrophobicContact CD2-CD1 4.14Å; A48-L53 HydrophobicContact CB-CD2 3.59Å; L51-L53 HydrophobicContact CD2-CD2 3.82Å; L51-L53 HydrophobicContact CD2-CG 3.73Å; L53-R61 VanDerWaalsContact CB-NH2 3.26Å; L53-I64 HydrophobicContact CD1-CD1 4.44Å
54P86.6Confident88.2Confident81 Ų8162.5 Ų62.553%0.52633%0.329SS..PPolyproline II helixtrans-58.3143.5175.9-19.430.3000112E56 R61P54-E56 WeakPolarHBondContact CB-OE2 3.41Å; P54-R61 PolarHBondContact O-NH2 3.09Å
55M81.1Confident88.2Confident121 Ų12160.2 Ų60.260%0.59631%0.314SS*.G310 helixtrans-80.2-20.6-173.5-66.8-173.5-64.800112.7N57 D58M55-N57 PolarHBondContact O-N 3.18Å; M55-N57 VanDerWaalsContact O-N 3.11Å; M55-D58 WeakPolarHBondContact O-CB 3.39Å; M55-D58 PolarHBondContact O-N 3.27Å; M55-D58 VanDerWaalsContact O-N 3.11Å
56E79.2Confident88.3Confident159 Ų15958.8 Ų58.874%0.74331%0.306SS*.G310 helixtrans-58.6-30.2-177.4-59.683.2-178.100112.2P54P54-E56 WeakPolarHBondContact CB-OE2 3.41Å
57N78.1Confident88.5Confident88 Ų8855.1 Ų55.147%0.47129%0.292SS..G310 helixtrans-104.916.9-176.8-65.6-29.8000113.2M55 S60 R61M55-N57 PolarHBondContact O-N 3.18Å; M55-N57 VanDerWaalsContact O-N 3.11Å; N57-S60 PolarHBondContact O-OG 3.3Å; N57-R61 VanDerWaalsContact O-CB 3.28Å; N57-R61 WeakPolarHBondContact O-CB 3.26Å; N57-R61 PolarHBondContact O-N 3.4Å
58D78.4Confident88.6Confident52 Ų5251.9 Ų51.928%0.27828%0.275SS..THydrogen-bonded Turntrans-67.9-40.7-174.5-150.635.8000112.1S2 K9 M55 R61S2-D58 PolarHBondContact OG-OD2 3.08Å; K9-D58 PolarHBondContact NZ-O 3.09Å; M55-D58 WeakPolarHBondContact O-CB 3.39Å; M55-D58 PolarHBondContact O-N 3.27Å; M55-D58 VanDerWaalsContact O-N 3.11Å; D58-R61 WeakPolarHBondContact O-CB 3.32Å; D58-R61 PolarHBondContact O-N 3.24Å; D58-R61 IonicContact OD1-CZ 3.86Å; D58-R61 VanDerWaalsContact OD1-CZ 3.22Å; D58-R61 IonicContact OD1-NH1 3.51Å; D58-R61 PolarHBondContact OD1-NH1 2.89Å; D58-R61 IonicContact OD1-NH2 2.69Å
59E77.4Confident88.7Confident174 Ų17451.4 Ų51.481%0.81327%0.271SS*.THydrogen-bonded Turntrans-65.4-44.4177.1-66.2-56.1138.100111.9K9 R61K9-E59 PolarHBondContact NZ-O 3.43Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 3.36Å
60S81.3Confident88.9Confident82 Ų8246.1 Ų46.157%0.57325%0.248SC*.THydrogen-bonded Turntrans-81.7-5.3-179.5650000114.5N57N57-S60 PolarHBondContact O-OG 3.3Å
61R85.4Confident88.9Confident16 Ų1643.5 Ų43.56%0.0623%0.23CC..PPolyproline II helixtrans-68.1125.2179-173.9178.6-61148.58.9110.1L4 K9 L53 P54 N57 D58 E59 I64L4-R61 VanDerWaalsContact CD2-NH1 3.26Å; K9-R61 WeakPolarHBondContact CD-O 3.41Å; K9-R61 VanDerWaalsContact CE-O 3.31Å; K9-R61 WeakPolarHBondContact CE-O 3.41Å; K9-R61 PolarHBondContact NZ-O 3.09Å; L53-R61 VanDerWaalsContact CB-NH2 3.26Å; P54-R61 PolarHBondContact O-NH2 3.09Å; N57-R61 VanDerWaalsContact O-CB 3.28Å; N57-R61 WeakPolarHBondContact O-CB 3.26Å; N57-R61 PolarHBondContact O-N 3.4Å; D58-R61 WeakPolarHBondContact O-CB 3.32Å; D58-R61 PolarHBondContact O-N 3.24Å; D58-R61 IonicContact OD1-CZ 3.86Å; D58-R61 VanDerWaalsContact OD1-CZ 3.22Å; D58-R61 IonicContact OD1-NH1 3.51Å; D58-R61 PolarHBondContact OD1-NH1 2.89Å; D58-R61 IonicContact OD1-NH2 2.69Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 3.36Å; R61-I64 HydrophobicContact CG-CD1 4.42Å
62P86.4Confident88.9Confident31 Ų3143.5 Ų43.520%0.20123%0.23CC..PPolyproline II helixtrans-65.3163.8172.230-34000110.2R46 I64R46-P62 VanDerWaalsContact NH2-CD 3.32Å; P62-I64 PolarHBondContact O-N 3.15Å
63R90.8Very high88.8Confident35 Ų3541.9 Ų41.913%0.13222%0.219CC..PPolyproline II helixtrans-53.6135.3166.4-176.9-172.8179.2-14615.4108.6P6 K9 N17 D65P6-R63 PolarHBondContact O-NE 2.99Å; K9-R63 HydrophobicContact CB-CB 4Å; K9-R63 WeakPolarHBondContact O-CD 3.16Å; N17-R63 WeakPolarHBondContact CB-O 3.31Å; N17-R63 PolarHBondContact ND2-O 2.93Å; N17-R63 VanDerWaalsContact ND2-O 3.16Å; R63-D65 IonicContact CZ-OD1 3.83Å; R63-D65 VanDerWaalsContact CZ-OD1 3.27Å; R63-D65 IonicContact NE-OD1 3.67Å; R63-D65 IonicContact NH1-OD1 2.66Å; R63-D65 PolarHBondContact NH1-OD1 3Å
64I94Very high88.9Confident5 Ų543 Ų433%0.02623%0.228CC..  trans-100.2115.5174.8-62.8161.4000108.1L4 L19 L53 R61 P62 L66 V67 Y93L4-I64 HydrophobicContact CD1-CD1 4.3Å; L4-I64 HydrophobicContact CD2-CD1 4.18Å; L19-I64 HydrophobicContact CB-CD1 4.34Å; L19-I64 HydrophobicContact CB-CG2 3.73Å; L19-I64 HydrophobicContact CD2-CD1 4.06Å; L53-I64 HydrophobicContact CD1-CD1 4.44Å; R61-I64 HydrophobicContact CG-CD1 4.42Å; P62-I64 PolarHBondContact O-N 3.15Å; I64-L66 WeakPolarHBondContact CG2-O 3.31Å; I64-V67 HydrophobicContact CG2-CG2 3.83Å; I64-Y93 HydrophobicContact CG2-CE1 4.4Å; I64-Y93 PolarHBondContact O-OH 3.44Å
65D94.9Very high89Confident3 Ų339.9 Ų39.92%0.01621%0.207CC..  trans-83.9-33.9-175.4-62.1-59000112.7N17 R63 K97 L151N17-D65 PolarHBondContact N-OD2 3.41Å; N17-D65 WeakPolarHBondContact O-CB 3.37Å; N17-D65 PolarHBondContact O-N 3.42Å; R63-D65 IonicContact CZ-OD1 3.83Å; R63-D65 VanDerWaalsContact CZ-OD1 3.27Å; R63-D65 IonicContact NE-OD1 3.67Å; R63-D65 IonicContact NH1-OD1 2.66Å; R63-D65 PolarHBondContact NH1-OD1 3Å; D65-K97 WeakPolarHBondContact O-CB 3.45Å; D65-K97 WeakPolarHBondContact O-CG 3.45Å; D65-K97 PolarHBondContact O-NZ 2.85Å; D65-L151 HydrophobicContact CB-CD1 4.25Å
66L96.2Very high89.4Confident0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-142.5134.4179.1-177.663.8000110.7N17 I18 L19 I64 V68 C99 L147 I150 L151 A154N17-L66 PolarHBondContact O-N 3.37Å; I18-L66 WeakPolarHBondContact CA-O 3.32Å; I18-L66 HydrophobicContact CD1-CD2 3.99Å; I18-L66 HydrophobicContact CG1-CB 4.3Å; I18-L66 HydrophobicContact CG1-CD2 4.43Å; I18-L66 HydrophobicContact CG1-CG 4.47Å; L19-L66 PolarHBondContact N-O 2.92Å; I64-L66 WeakPolarHBondContact CG2-O 3.31Å; L66-V68 HydrophobicContact CD2-CG2 4.09Å; L66-V68 HydrophobicContact CG-CG2 4.03Å; L66-C99 HydrophobicContact CD1-CB 4.29Å; L66-L147 HydrophobicContact CD2-CD1 3.73Å; L66-I150 HydrophobicContact CD1-CG2 4.04Å; L66-I150 HydrophobicContact CD2-CB 4.31Å; L66-I150 HydrophobicContact CD2-CG2 3.89Å; L66-L151 HydrophobicContact CB-CD1 3.78Å; L66-L151 HydrophobicContact CD2-CB 4.02Å; L66-L151 HydrophobicContact CD2-CD1 4.41Å; L66-A154 HydrophobicContact CB-CB 4.29Å
67V97.1Very high90Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-108130.1170.2-1770000108.7L19 V21 I64 F69 L89 Y93 K97 V98 C99L19-V67 HydrophobicContact CB-CG2 4.41Å; L19-V67 HydrophobicContact CD2-CG1 4.33Å; L19-V67 HydrophobicContact CD2-CG2 4.39Å; L19-V67 CarbonylContact O-C 3.48Å; L19-V67 WeakPolarHBondContact O-CA 3.46Å; V21-V67 HydrophobicContact CG2-CG1 4.06Å; I64-V67 HydrophobicContact CG2-CG2 3.83Å; V67-F69 HydrophobicContact CG1-CD2 4.38Å; V67-F69 HydrophobicContact CG1-CE2 3.83Å; V67-F69 HydrophobicContact CG1-CZ 4.03Å; V67-L89 HydrophobicContact CG1-CD1 4.45Å; V67-L89 HydrophobicContact CG2-CD2 4.38Å; V67-Y93 HydrophobicContact CG2-CD1 3.84Å; V67-Y93 HydrophobicContact CG2-CE1 3.6Å; V67-K97 PolarHBondContact N-O 2.85Å; V67-V98 HydrophobicContact CB-CG2 4.49Å; V67-V98 CarbonylContact O-C 3.55Å; V67-V98 VanDerWaalsContact O-CA 3.31Å; V67-V98 WeakPolarHBondContact O-CA 3.43Å; V67-C99 PolarHBondContact O-N 2.93Å
68V97.4Very high90.7Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-120.2118.8-179.7-170.90000109.3I18 L19 L20 V21 L66 I70 C99 M101 L147I18-V68 HydrophobicContact CD1-CG2 3.73Å; I18-V68 HydrophobicContact CG1-CG2 3.97Å; L19-V68 PolarHBondContact O-N 2.91Å; L20-V68 HydrophobicContact CD2-CB 3.79Å; L20-V68 HydrophobicContact CD2-CG1 4.39Å; L20-V68 HydrophobicContact CD2-CG2 3.91Å; V21-V68 PolarHBondContact N-O 3.03Å; L66-V68 HydrophobicContact CD2-CG2 4.09Å; L66-V68 HydrophobicContact CG-CG2 4.03Å; V68-I70 HydrophobicContact CG1-CG1 4.22Å; V68-C99 VanDerWaalsContact CA-O 3.3Å; V68-C99 WeakPolarHBondContact CA-O 3.28Å; V68-M101 HydrophobicContact CG1-CB 3.99Å; V68-L147 HydrophobicContact CG1-CD1 4.4Å; V68-L147 HydrophobicContact CG1-CD2 4.46Å; V68-L147 HydrophobicContact CG2-CD1 3.63Å; V68-L147 HydrophobicContact CG2-CD2 4.04Å; V68-L147 HydrophobicContact CG2-CG 4.35Å
69F97.2Very high91.4Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-91.9110.3170.7-68.2-80.9000108.8V21 L51 V67 I71 A82 L86 L89 V98 C99 F100 M101V21-F69 HydrophobicContact CB-CD1 3.79Å; V21-F69 HydrophobicContact CB-CE1 3.96Å; V21-F69 HydrophobicContact CG1-CD1 3.91Å; V21-F69 HydrophobicContact CG1-CE1 3.88Å; V21-F69 HydrophobicContact CG2-CD1 4.4Å; V21-F69 HydrophobicContact CG2-CE1 4.16Å; L51-F69 HydrophobicContact CD1-CE1 4.29Å; L51-F69 HydrophobicContact CD1-CZ 3.98Å; V67-F69 HydrophobicContact CG1-CD2 4.38Å; V67-F69 HydrophobicContact CG1-CE2 3.83Å; V67-F69 HydrophobicContact CG1-CZ 4.03Å; F69-I71 HydrophobicContact CB-CD1 4.46Å; F69-I71 HydrophobicContact CB-CG1 4.49Å; F69-A82 HydrophobicContact CB-CB 4.38Å; F69-A82 HydrophobicContact CD1-CB 4.06Å; F69-L86 HydrophobicContact CD2-CD2 4Å; F69-L86 HydrophobicContact CE2-CD2 3.44Å; F69-L86 VanDerWaalsContact CE2-CD2 3.44Å; F69-L86 HydrophobicContact CE2-CG 4.47Å; F69-L86 HydrophobicContact CZ-CD2 3.79Å; F69-L86 HydrophobicContact CZ-CG 4.43Å; F69-L89 HydrophobicContact CE2-CD1 3.64Å; F69-L89 HydrophobicContact CZ-CD1 3.77Å; F69-L89 HydrophobicContact CZ-CG 4.48Å; F69-V98 HydrophobicContact CD2-CG1 4.03Å; F69-V98 HydrophobicContact CE2-CG1 4.08Å; F69-C99 PolarHBondContact N-O 2.81Å; F69-F100 HydrophobicContact CB-CD1 3.73Å; F69-F100 HydrophobicContact CB-CE1 3.94Å; F69-F100 HydrophobicContact CD2-CD1 4.35Å; F69-F100 AromaticContact CD2-CE1 3.91Å; F69-F100 HydrophobicContact CD2-CE1 3.91Å; F69-F100 HydrophobicContact CG-CD1 4.4Å; F69-F100 HydrophobicContact CG-CE1 4.13Å; F69-M101 PolarHBondContact O-N 2.89Å
70I96.2Very high92.1Very high2 Ų228.7 Ų28.71%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-89.2120.2174.1-55.4170.2000107.1L20 V21 E22 F27 Q28 L31 V68 M101 T103L20-I70 HydrophobicContact CB-CD1 4.31Å; V21-I70 PolarHBondContact O-N 3.21Å; E22-I70 HydrophobicContact CB-CB 3.95Å; E22-I70 HydrophobicContact CB-CD1 4.39Å; E22-I70 HydrophobicContact CG-CB 3.83Å; E22-I70 HydrophobicContact CG-CG2 3.91Å; E22-I70 VanDerWaalsContact OE1-CG2 3.3Å; E22-I70 WeakPolarHBondContact OE1-CG2 2.89Å; F27-I70 HydrophobicContact CD1-CD1 4.33Å; F27-I70 HydrophobicContact CD1-CG2 3.97Å; Q28-I70 HydrophobicContact CB-CD1 4.01Å; L31-I70 HydrophobicContact CD2-CD1 4Å; V68-I70 HydrophobicContact CG1-CG1 4.22Å; I70-M101 CarbonylContact C-O 3.27Å; I70-M101 WeakPolarHBondContact CA-O 3.35Å; I70-M101 HydrophobicContact CG1-CB 4.41Å; I70-T103 HydrophobicContact CG2-CG2 3.95Å
71I94.9Very high92.8Very high0 Ų025.7 Ų25.70%013%0.128CC..EExtended strand (participates in β ladder)trans-121.8115-172.7-62.8170.4000108.4F69 L73 F79 A82 F100 M101 A102 T103 L118F69-I71 HydrophobicContact CB-CD1 4.46Å; F69-I71 HydrophobicContact CB-CG1 4.49Å; I71-L73 PolarHBondContact O-N 3.5Å; I71-F79 HydrophobicContact CD1-CD2 4.39Å; I71-F79 HydrophobicContact CG2-CB 4.21Å; I71-F79 HydrophobicContact CG2-CD2 4.12Å; I71-A82 HydrophobicContact CD1-CB 3.8Å; I71-A82 HydrophobicContact CG1-CB 3.79Å; I71-F100 HydrophobicContact CD1-CD1 3.85Å; I71-F100 HydrophobicContact CD1-CE1 4.36Å; I71-M101 PolarHBondContact N-O 2.83Å; I71-A102 WeakPolarHBondContact O-CA 3.35Å; I71-T103 PolarHBondContact O-N 3.1Å; I71-T103 PolarHBondContact O-OG1 3.21Å; I71-L118 HydrophobicContact CB-CD2 4.35Å; I71-L118 HydrophobicContact CD1-CD1 3.41Å; I71-L118 VanDerWaalsContact CD1-CD1 3.41Å; I71-L118 HydrophobicContact CD1-CD2 4.27Å; I71-L118 HydrophobicContact CD1-CG 4.48Å; I71-L118 HydrophobicContact CG2-CD2 4.32Å
72N93.1Very high93.2Very high7 Ų725.2 Ų25.24%0.03713%0.127CC..EExtended strand (participates in β ladder)trans-78.6109.4171.8-177.30.7000109.4E24 T74 S75 S78 T103 N104E24-N72 PolarHBondContact OE2-ND2 3.36Å; N72-T74 VanDerWaalsContact CG-OG1 3.28Å; N72-T74 PolarHBondContact ND2-OG1 2.85Å; N72-T74 PolarHBondContact O-N 2.91Å; N72-T74 VanDerWaalsContact O-N 3.13Å; N72-T74 PolarHBondContact OD1-N 2.87Å; N72-T74 VanDerWaalsContact OD1-N 3.12Å; N72-T74 PolarHBondContact OD1-OG1 3.37Å; N72-S75 PolarHBondContact O-N 2.85Å; N72-S78 PolarHBondContact N-OG 3.28Å; N72-T103 WeakPolarHBondContact CA-OG1 3.34Å; N72-N104 PolarHBondContact OD1-ND2 3.21Å
73L91.1Very high93.6Very high0 Ų028.9 Ų28.90%014%0.14CC..THydrogen-bonded Turntrans-66.5-14.3-176.8-70.4174.5000114I71 A102 T103 A105 V110 L115 L118I71-L73 PolarHBondContact O-N 3.5Å; L73-A102 HydrophobicContact CD1-CB 3.88Å; L73-A102 HydrophobicContact CG-CB 4.15Å; L73-T103 WeakPolarHBondContact CB-O 3.42Å; L73-T103 PolarHBondContact N-O 2.97Å; L73-A105 HydrophobicContact CD1-CB 3.57Å; L73-V110 HydrophobicContact CB-CG1 4.2Å; L73-V110 HydrophobicContact CB-CG2 4.03Å; L73-L115 HydrophobicContact CD1-CB 4.49Å; L73-L115 HydrophobicContact CD1-CD1 4.11Å; L73-L115 HydrophobicContact CD1-CG 4.34Å; L73-L118 HydrophobicContact CD2-CD2 3.94Å
74T89.9Confident93.8Very high48 Ų4829.3 Ų29.329%0.29415%0.152SC..THydrogen-bonded Turntrans-84-11.1174.265.90000113.2N72 N104 H107 S109 V110N72-T74 VanDerWaalsContact CG-OG1 3.28Å; N72-T74 PolarHBondContact ND2-OG1 2.85Å; N72-T74 PolarHBondContact O-N 2.91Å; N72-T74 VanDerWaalsContact O-N 3.13Å; N72-T74 PolarHBondContact OD1-N 2.87Å; N72-T74 VanDerWaalsContact OD1-N 3.12Å; N72-T74 PolarHBondContact OD1-OG1 3.37Å; T74-N104 HydrophobicContact CG2-CB 3.78Å; T74-H107 HydrophobicContact CG2-CB 4.14Å; T74-S109 WeakPolarHBondContact CG2-OG 3.45Å; T74-V110 HydrophobicContact CG2-CG2 4.22Å
75S89.8Confident93.9Very high15 Ų1529.1 Ų29.111%0.10515%0.151CC..  trans-122115.1-174.6179.60000112.3E24 N72 K77 S78 F79E24-S75 WeakPolarHBondContact OE1-CB 3.42Å; E24-S75 PolarHBondContact OE1-OG 3.16Å; N72-S75 PolarHBondContact O-N 2.85Å; S75-K77 PolarHBondContact O-N 3.27Å; S75-S78 WeakPolarHBondContact O-CB 3.46Å; S75-S78 PolarHBondContact O-N 3.37Å; S75-S78 VanDerWaalsContact O-N 3.16Å; S75-F79 PolarHBondContact O-N 3.46Å
76D88.8Confident93.9Very high80 Ų8029.9 Ų29.943%0.42815%0.154SC..Hα-helixtrans-60.8-34.9174.6-77.1-40.9000113.1S78 F79 E80 R111D76-S78 PolarHBondContact O-N 3.36Å; D76-F79 PolarHBondContact O-N 2.81Å; D76-E80 PolarHBondContact O-N 3.13Å; D76-R111 IonicContact OD1-CZ 3.62Å; D76-R111 IonicContact OD1-NE 3.22Å; D76-R111 IonicContact OD1-NH1 3.22Å; D76-R111 PolarHBondContact OD1-NH1 3.1Å; D76-R111 IonicContact OD1-NH2 3.69Å; D76-R111 PolarHBondContact OD1-NH2 2.86Å; D76-R111 IonicContact OD2-CZ 2.71Å; D76-R111 IonicContact OD2-NE 3.5Å; D76-R111 IonicContact OD2-NH1 2.73Å; D76-R111 IonicContact OD2-NH2 3.16Å; D76-R111 PolarHBondContact OD2-NH2 3.17Å
77K91.1Very high93.8Very high156 Ų15636.3 Ų36.368%0.67818%0.183SC*.Hα-helixtrans-63.4-35.5179.6-65.4179.8-179.9176.70110.8S75 S81S75-K77 PolarHBondContact O-N 3.27Å; K77-S81 WeakPolarHBondContact O-CB 3.31Å; K77-S81 PolarHBondContact O-N 3.37Å
78S92.8Very high93.6Very high1 Ų138.2 Ų38.21%0.00719%0.19CC..Hα-helixtrans-63.2-48.5176.3-168.20000111.2N72 S75 D76 A82N72-S78 PolarHBondContact N-OG 3.28Å; S75-S78 WeakPolarHBondContact O-CB 3.46Å; S75-S78 PolarHBondContact O-N 3.37Å; S75-S78 VanDerWaalsContact O-N 3.16Å; D76-S78 PolarHBondContact O-N 3.36Å; S78-A82 WeakPolarHBondContact O-CB 3.49Å; S78-A82 PolarHBondContact O-N 2.88Å
79F93.1Very high93.4Very high20 Ų2038.7 Ų38.79%0.08819%0.193CC..Hα-helixtrans-64.3-48.4178.4-175.1-108.3000112.8I71 S75 D76 S81 A82 K83 A117 L118 L121I71-F79 HydrophobicContact CD1-CD2 4.39Å; I71-F79 HydrophobicContact CG2-CB 4.21Å; I71-F79 HydrophobicContact CG2-CD2 4.12Å; S75-F79 PolarHBondContact O-N 3.46Å; D76-F79 PolarHBondContact O-N 2.81Å; F79-S81 PolarHBondContact O-N 3.19Å; F79-A82 PolarHBondContact O-N 2.79Å; F79-K83 WeakPolarHBondContact O-CB 3.32Å; F79-K83 PolarHBondContact O-N 2.88Å; F79-A117 HydrophobicContact CE1-CB 4.32Å; F79-A117 HydrophobicContact CZ-CB 4Å; F79-L118 HydrophobicContact CD2-CB 4.44Å; F79-L118 HydrophobicContact CE2-CB 3.93Å; F79-L118 HydrophobicContact CE2-CD1 4.1Å; F79-L121 HydrophobicContact CE2-CD2 4.01Å; F79-L121 HydrophobicContact CZ-CD2 4.22Å
80E93.6Very high93.2Very high101 Ų10140.7 Ų40.747%0.47220%0.204SC..Hα-helixtrans-66-37.4179.7-71.8-57.4139.100112.3D76 K83 A84D76-E80 PolarHBondContact O-N 3.13Å; E80-K83 PolarHBondContact O-N 2.88Å; E80-A84 VanDerWaalsContact O-CB 3.24Å; E80-A84 WeakPolarHBondContact O-CB 3.4Å; E80-A84 PolarHBondContact O-N 2.99Å
81S94.9Very high92.9Very high20 Ų2045.4 Ų45.414%0.1424%0.235CC..Hα-helixtrans-63.8-43.5174.7-176.90000111.7N23 K77 F79 A84 S85N23-S81 PolarHBondContact OD1-OG 3.42Å; K77-S81 WeakPolarHBondContact O-CB 3.31Å; K77-S81 PolarHBondContact O-N 3.37Å; F79-S81 PolarHBondContact O-N 3.19Å; S81-A84 PolarHBondContact O-N 2.71Å; S81-S85 VanDerWaalsContact O-CB 3.29Å; S81-S85 WeakPolarHBondContact O-CB 3.3Å; S81-S85 PolarHBondContact O-N 2.82Å; S81-S85 PolarHBondContact O-OG 2.94Å
82A94.9Very high92.7Very high5 Ų546.2 Ų46.24%0.04124%0.244CC..Hα-helixtrans-61.6-47.8174.600000111.1F69 I71 S78 F79 A84 S85 L86F69-A82 HydrophobicContact CB-CB 4.38Å; F69-A82 HydrophobicContact CD1-CB 4.06Å; I71-A82 HydrophobicContact CD1-CB 3.8Å; I71-A82 HydrophobicContact CG1-CB 3.79Å; S78-A82 WeakPolarHBondContact O-CB 3.49Å; S78-A82 PolarHBondContact O-N 2.88Å; F79-A82 PolarHBondContact O-N 2.79Å; A82-A84 PolarHBondContact O-N 2.97Å; A82-S85 WeakPolarHBondContact O-CB 3.44Å; A82-S85 PolarHBondContact O-N 3.44Å; A82-L86 WeakPolarHBondContact O-CG 3.3Å; A82-L86 PolarHBondContact O-N 3.33Å; A82-L86 VanDerWaalsContact O-N 3.17Å
83K94.7Very high92.7Very high108 Ų10846 Ų4647%0.4724%0.242SC..Hα-helixtrans-59.9-44.6177.6-170.8179.7179.5-177.20112.3F79 E80 S85 L86F79-K83 WeakPolarHBondContact O-CB 3.32Å; F79-K83 PolarHBondContact O-N 2.88Å; E80-K83 PolarHBondContact O-N 2.88Å; K83-S85 PolarHBondContact O-N 3.32Å; K83-L86 PolarHBondContact O-N 3.37Å
84A95.3Very high92.8Very high45 Ų4547.8 Ų47.837%0.37225%0.25SS..Hα-helixtrans-64.8-29.3176.200000112.5E80 S81 A82 K87 Y88E80-A84 VanDerWaalsContact O-CB 3.24Å; E80-A84 WeakPolarHBondContact O-CB 3.4Å; E80-A84 PolarHBondContact O-N 2.99Å; S81-A84 PolarHBondContact O-N 2.71Å; A82-A84 PolarHBondContact O-N 2.97Å; A84-K87 WeakPolarHBondContact O-CD 3.46Å; A84-K87 WeakPolarHBondContact O-CE 3.38Å; A84-K87 VanDerWaalsContact O-CG 3.26Å; A84-K87 WeakPolarHBondContact O-CG 3.36Å; A84-Y88 WeakPolarHBondContact O-CE2 3.3Å
85S95.6Very high92.9Very high1 Ų150.1 Ų50.11%0.00726%0.261CS..Hα-helixtrans-75.2-28.9179.4-65.90000113.1L51 S81 A82 K83 K87 Y88L51-S85 PolarHBondContact N-OG 3.47Å; S81-S85 VanDerWaalsContact O-CB 3.29Å; S81-S85 WeakPolarHBondContact O-CB 3.3Å; S81-S85 PolarHBondContact O-N 2.82Å; S81-S85 PolarHBondContact O-OG 2.94Å; A82-S85 WeakPolarHBondContact O-CB 3.44Å; A82-S85 PolarHBondContact O-N 3.44Å; K83-S85 PolarHBondContact O-N 3.32Å; S85-K87 VanDerWaalsContact C-N 3.25Å; S85-K87 PolarHBondContact O-N 3.05Å; S85-Y88 WeakPolarHBondContact O-CD2 3.45Å; S85-Y88 PolarHBondContact O-N 3.06Å; S85-Y88 VanDerWaalsContact O-N 3.14Å
86L94.6Very high93Very high18 Ų1849.7 Ų49.79%0.09426%0.258CS..Hα-helixtrans-59.5-32.1-177.6-70.2169.3000113.8F69 A82 K83 Y88 L89 F94 F100 L121 L125F69-L86 HydrophobicContact CD2-CD2 4Å; F69-L86 HydrophobicContact CE2-CD2 3.44Å; F69-L86 VanDerWaalsContact CE2-CD2 3.44Å; F69-L86 HydrophobicContact CE2-CG 4.47Å; F69-L86 HydrophobicContact CZ-CD2 3.79Å; F69-L86 HydrophobicContact CZ-CG 4.43Å; A82-L86 WeakPolarHBondContact O-CG 3.3Å; A82-L86 PolarHBondContact O-N 3.33Å; A82-L86 VanDerWaalsContact O-N 3.17Å; K83-L86 PolarHBondContact O-N 3.37Å; L86-Y88 PolarHBondContact O-N 3.39Å; L86-L89 HydrophobicContact CD2-CD1 4.34Å; L86-L89 PolarHBondContact O-N 3.22Å; L86-F94 HydrophobicContact CD2-CE1 3.96Å; L86-F94 HydrophobicContact CD2-CZ 4.19Å; L86-F100 HydrophobicContact CD1-CE1 4.49Å; L86-F100 HydrophobicContact CD1-CZ 4.16Å; L86-F100 HydrophobicContact CD2-CE1 4.27Å; L86-F100 HydrophobicContact CD2-CZ 3.99Å; L86-L121 HydrophobicContact CD1-CD1 4.06Å; L86-L121 HydrophobicContact CD1-CD2 4.04Å; L86-L121 HydrophobicContact CD1-CG 4.36Å; L86-L125 HydrophobicContact CD1-CD1 3.68Å; L86-L125 HydrophobicContact CD2-CD1 4.29Å
87K93.1Very high93.3Very high136 Ų13646.2 Ų46.259%0.59124%0.239SC*.THydrogen-bonded Turntrans-63.6-13.8179.974.4-163174.6-177.50114A84 S85A84-K87 WeakPolarHBondContact O-CD 3.46Å; A84-K87 WeakPolarHBondContact O-CE 3.38Å; A84-K87 VanDerWaalsContact O-CG 3.26Å; A84-K87 WeakPolarHBondContact O-CG 3.36Å; S85-K87 VanDerWaalsContact C-N 3.25Å; S85-K87 PolarHBondContact O-N 3.05Å
88Y93.6Very high93.6Very high40 Ų4038.9 Ų38.916%0.15721%0.208CC..THydrogen-bonded Turntrans-95.91.4178.5-55.5-70.9000113.5M1 L3 L4 L51 P52 A84 S85 L86M1-Y88 HydrophobicContact CE-CE1 3.88Å; M1-Y88 WeakPolarHBondContact CE-OH 3.45Å; L3-Y88 WeakPolarHBondContact CA-O 3.44Å; L4-Y88 PolarHBondContact N-O 2.93Å; L51-Y88 HydrophobicContact CB-CD2 3.83Å; L51-Y88 HydrophobicContact CB-CG 4.31Å; L51-Y88 VanDerWaalsContact O-CD2 3.27Å; L51-Y88 WeakPolarHBondContact O-CD2 3.49Å; L51-Y88 WeakPolarHBondContact O-CE2 3.25Å; P52-Y88 HydrophobicContact CB-CD1 3.9Å; P52-Y88 HydrophobicContact CB-CD2 4.35Å; P52-Y88 HydrophobicContact CB-CE1 4.3Å; P52-Y88 HydrophobicContact CB-CG 3.92Å; P52-Y88 VanDerWaalsContact CD-CE2 3.5Å; P52-Y88 HydrophobicContact CG-CD1 4.04Å; P52-Y88 HydrophobicContact CG-CD2 4.46Å; P52-Y88 HydrophobicContact CG-CE1 3.91Å; P52-Y88 HydrophobicContact CG-CE2 4.33Å; P52-Y88 HydrophobicContact CG-CG 4.3Å; A84-Y88 WeakPolarHBondContact O-CE2 3.3Å; S85-Y88 WeakPolarHBondContact O-CD2 3.45Å; S85-Y88 PolarHBondContact O-N 3.06Å; S85-Y88 VanDerWaalsContact O-N 3.14Å; L86-Y88 PolarHBondContact O-N 3.39Å
89L93.4Very high93.7Very high10 Ų1038.9 Ų38.95%0.05221%0.207CC..BIsolated β-bridgetrans-94.8131.3172.9-60.8-175.3000110.4L4 L51 V67 F69 L86 Y93 F94 V98L4-L89 HydrophobicContact CB-CD2 3.89Å; L4-L89 HydrophobicContact CD1-CD2 3.76Å; L4-L89 HydrophobicContact CG-CD2 4.31Å; L51-L89 HydrophobicContact CD1-CD2 3.63Å; L51-L89 HydrophobicContact CD1-CG 4.03Å; V67-L89 HydrophobicContact CG1-CD1 4.45Å; V67-L89 HydrophobicContact CG2-CD2 4.38Å; F69-L89 HydrophobicContact CE2-CD1 3.64Å; F69-L89 HydrophobicContact CZ-CD1 3.77Å; F69-L89 HydrophobicContact CZ-CG 4.48Å; L86-L89 HydrophobicContact CD2-CD1 4.34Å; L86-L89 PolarHBondContact O-N 3.22Å; L89-Y93 HydrophobicContact CB-CD2 4.42Å; L89-Y93 HydrophobicContact CD2-CD2 4.22Å; L89-Y93 HydrophobicContact CD2-CG 4.48Å; L89-F94 HydrophobicContact CB-CE2 4.26Å; L89-F94 HydrophobicContact CB-CZ 4.14Å; L89-F94 HydrophobicContact CD1-CZ 4.26Å; L89-V98 HydrophobicContact CD1-CG2 3.79Å
90V92.5Very high93.9Very high41 Ų4137.9 Ų37.925%0.24820%0.203CC..  trans-69.7143.1170.6172.90000109.7L3 L4 K5 G92 Y93L3-V90 HydrophobicContact CB-CG2 3.91Å; L3-V90 HydrophobicContact CD1-CG2 4.35Å; L4-V90 WeakPolarHBondContact O-CB 3.28Å; L4-V90 VanDerWaalsContact O-CG2 3.28Å; L4-V90 WeakPolarHBondContact O-CG2 3.47Å; L4-V90 PolarHBondContact O-N 3.14Å; L4-V90 VanDerWaalsContact O-N 3.15Å; K5-V90 HydrophobicContact CG-CG2 3.87Å; V90-G92 PolarHBondContact O-N 2.88Å; V90-Y93 WeakPolarHBondContact O-CB 3.5Å; V90-Y93 PolarHBondContact O-N 3.34Å
91P91.1Very high93.9Very high102 Ų10233.1 Ų33.166%0.66218%0.181SC*.G310 helixtrans-48.3-30.9-175.8-34.337.2000116.6Y93 F94P91-Y93 PolarHBondContact O-N 3.18Å; P91-Y93 VanDerWaalsContact O-N 3.09Å; P91-F94 WeakPolarHBondContact O-CD2 3.3Å; P91-F94 PolarHBondContact O-N 2.89Å
92G90.4Very high93.9Very high17 Ų1732.2 Ų32.218%0.17517%0.174CC..G310 helixtrans-59-19.6176.700000114.9V90 F94 L95V90-G92 PolarHBondContact O-N 2.88Å; G92-F94 VanDerWaalsContact C-N 3.34Å; G92-L95 PolarHBondContact O-N 2.73Å
93Y93.4Very high93.8Very high2 Ų232 Ų321%0.00817%0.173CC..G310 helixtrans-68.1-32.6173.4-94.7-72.7000112.6L4 P6 I64 V67 L89 V90 P91 L95 K97 V98L4-Y93 VanDerWaalsContact C-CE2 3.49Å; L4-Y93 HydrophobicContact CB-CD2 4.47Å; L4-Y93 HydrophobicContact CB-CE2 3.72Å; L4-Y93 VanDerWaalsContact O-CE2 3.31Å; L4-Y93 WeakPolarHBondContact O-CE2 3.46Å; P6-Y93 HydrophobicContact CB-CD1 4.09Å; P6-Y93 HydrophobicContact CB-CD2 4.07Å; P6-Y93 HydrophobicContact CB-CE1 3.81Å; P6-Y93 HydrophobicContact CB-CE2 3.8Å; P6-Y93 HydrophobicContact CB-CG 4.19Å; P6-Y93 HydrophobicContact CG-CD2 3.84Å; P6-Y93 HydrophobicContact CG-CE2 3.93Å; P6-Y93 HydrophobicContact CG-CG 4.14Å; P6-Y93 VanDerWaalsContact N-CE2 3.31Å; I64-Y93 HydrophobicContact CG2-CE1 4.4Å; I64-Y93 PolarHBondContact O-OH 3.44Å; V67-Y93 HydrophobicContact CG2-CD1 3.84Å; V67-Y93 HydrophobicContact CG2-CE1 3.6Å; L89-Y93 HydrophobicContact CB-CD2 4.42Å; L89-Y93 HydrophobicContact CD2-CD2 4.22Å; L89-Y93 HydrophobicContact CD2-CG 4.48Å; V90-Y93 WeakPolarHBondContact O-CB 3.5Å; V90-Y93 PolarHBondContact O-N 3.34Å; P91-Y93 PolarHBondContact O-N 3.18Å; P91-Y93 VanDerWaalsContact O-N 3.09Å; Y93-L95 PolarHBondContact O-N 3.43Å; Y93-L95 VanDerWaalsContact O-N 3.17Å; Y93-K97 HydrophobicContact CD1-CB 3.74Å; Y93-K97 HydrophobicContact CE1-CB 4.35Å; Y93-K97 CarbonylContact O-C 3.6Å; Y93-K97 VanDerWaalsContact O-C 3.27Å; Y93-K97 VanDerWaalsContact O-CA 3.26Å; Y93-K97 WeakPolarHBondContact O-CA 3.42Å; Y93-K97 VanDerWaalsContact O-CB 3.32Å; Y93-K97 WeakPolarHBondContact O-CB 3.48Å; Y93-K97 PolarHBondContact O-N 2.73Å; Y93-V98 HydrophobicContact CD1-CG2 4.48Å; Y93-V98 PolarHBondContact O-N 2.84Å
94F92.9Very high93.5Very high37 Ų3727.9 Ų27.916%0.16216%0.156CC..G310 helixtrans-74.6-3-178.7-57.5-73000113.2L86 L89 P91 G92 G96 V98 L125L86-F94 HydrophobicContact CD2-CE1 3.96Å; L86-F94 HydrophobicContact CD2-CZ 4.19Å; L89-F94 HydrophobicContact CB-CE2 4.26Å; L89-F94 HydrophobicContact CB-CZ 4.14Å; L89-F94 HydrophobicContact CD1-CZ 4.26Å; P91-F94 WeakPolarHBondContact O-CD2 3.3Å; P91-F94 PolarHBondContact O-N 2.89Å; G92-F94 VanDerWaalsContact C-N 3.34Å; F94-G96 PolarHBondContact O-N 2.66Å; F94-V98 HydrophobicContact CD1-CB 4.24Å; F94-V98 HydrophobicContact CD1-CG1 4.46Å; F94-V98 HydrophobicContact CD1-CG2 4.06Å; F94-V98 HydrophobicContact CE1-CG1 4.39Å; F94-V98 HydrophobicContact CE1-CG2 4.16Å; F94-L125 HydrophobicContact CD1-CB 4.04Å; F94-L125 HydrophobicContact CD1-CD2 4.28Å; F94-L125 HydrophobicContact CE1-CB 4.34Å; F94-L125 HydrophobicContact CE1-CD1 4.02Å; F94-L125 HydrophobicContact CE1-CD2 4.11Å; F94-L125 HydrophobicContact CE1-CG 4.39Å; F94-L125 HydrophobicContact CZ-CD2 4.4Å
95L91.9Very high93.1Very high98 Ų9827.2 Ų27.251%0.51315%0.15SC..THydrogen-bonded Turntrans-83.847.5173.1-56.1179.5000111.6G92 Y93 L164G92-L95 PolarHBondContact O-N 2.73Å; Y93-L95 PolarHBondContact O-N 3.43Å; Y93-L95 VanDerWaalsContact O-N 3.17Å; L95-L164 HydrophobicContact CB-CD1 4.29Å; L95-L164 HydrophobicContact CD2-CD1 4.17Å
96G91.8Very high92.4Very high5 Ų539.2 Ų39.25%0.05220%0.195CC..THydrogen-bonded Turntrans87.213.7177.600000116.5F94F94-G96 PolarHBondContact O-N 2.66Å
97K95.3Very high91.8Very high8 Ų842.3 Ų42.34%0.03521%0.209CC..SBendtrans-109.312.2174.9-61.6-176.5160.1-75.20113.2P6 D65 V67 Y93 A154 A163P6-K97 HydrophobicContact CB-CD 3.7Å; D65-K97 WeakPolarHBondContact O-CB 3.45Å; D65-K97 WeakPolarHBondContact O-CG 3.45Å; D65-K97 PolarHBondContact O-NZ 2.85Å; V67-K97 PolarHBondContact N-O 2.85Å; Y93-K97 HydrophobicContact CD1-CB 3.74Å; Y93-K97 HydrophobicContact CE1-CB 4.35Å; Y93-K97 CarbonylContact O-C 3.6Å; Y93-K97 VanDerWaalsContact O-C 3.27Å; Y93-K97 VanDerWaalsContact O-CA 3.26Å; Y93-K97 WeakPolarHBondContact O-CA 3.42Å; Y93-K97 VanDerWaalsContact O-CB 3.32Å; Y93-K97 WeakPolarHBondContact O-CB 3.48Å; Y93-K97 PolarHBondContact O-N 2.73Å; K97-A154 PolarHBondContact NZ-O 2.98Å; K97-A163 HydrophobicContact CG-CB 4.44Å
98V96.4Very high91Very high2 Ų240.9 Ų40.91%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-124.6136.2171.8175.70000108.2V67 F69 L89 Y93 F94 P128V67-V98 HydrophobicContact CB-CG2 4.49Å; V67-V98 CarbonylContact O-C 3.55Å; V67-V98 VanDerWaalsContact O-CA 3.31Å; V67-V98 WeakPolarHBondContact O-CA 3.43Å; F69-V98 HydrophobicContact CD2-CG1 4.03Å; F69-V98 HydrophobicContact CE2-CG1 4.08Å; L89-V98 HydrophobicContact CD1-CG2 3.79Å; Y93-V98 HydrophobicContact CD1-CG2 4.48Å; Y93-V98 PolarHBondContact O-N 2.84Å; F94-V98 HydrophobicContact CD1-CB 4.24Å; F94-V98 HydrophobicContact CD1-CG1 4.46Å; F94-V98 HydrophobicContact CD1-CG2 4.06Å; F94-V98 HydrophobicContact CE1-CG1 4.39Å; F94-V98 HydrophobicContact CE1-CG2 4.16Å; V98-P128 VanDerWaalsContact O-CD 3.32Å; V98-P128 WeakPolarHBondContact O-CD 3.46Å
99C95.4Very high90.2Very high0 Ų042.4 Ų42.40%024%0.239CC..EExtended strand (participates in β ladder)trans-132.3137.3172.9-173.70000109.1L66 V67 V68 F69L66-C99 HydrophobicContact CD1-CB 4.29Å; V67-C99 PolarHBondContact O-N 2.93Å; V68-C99 VanDerWaalsContact CA-O 3.3Å; V68-C99 WeakPolarHBondContact CA-O 3.28Å; F69-C99 PolarHBondContact N-O 2.81Å
100F96.4Very high89.6Confident0 Ų043.4 Ų43.40%025%0.246CC..EExtended strand (participates in β ladder)trans-92.9140.8167.1-67-71.4000109.5F69 I71 L86 L118 L121 A122 L125 C127 P128 L129 L130F69-F100 HydrophobicContact CB-CD1 3.73Å; F69-F100 HydrophobicContact CB-CE1 3.94Å; F69-F100 HydrophobicContact CD2-CD1 4.35Å; F69-F100 AromaticContact CD2-CE1 3.91Å; F69-F100 HydrophobicContact CD2-CE1 3.91Å; F69-F100 HydrophobicContact CG-CD1 4.4Å; F69-F100 HydrophobicContact CG-CE1 4.13Å; I71-F100 HydrophobicContact CD1-CD1 3.85Å; I71-F100 HydrophobicContact CD1-CE1 4.36Å; L86-F100 HydrophobicContact CD1-CE1 4.49Å; L86-F100 HydrophobicContact CD1-CZ 4.16Å; L86-F100 HydrophobicContact CD2-CE1 4.27Å; L86-F100 HydrophobicContact CD2-CZ 3.99Å; F100-L118 HydrophobicContact CB-CD1 4.36Å; F100-L118 HydrophobicContact CD1-CD1 4.15Å; F100-L118 HydrophobicContact CG-CD1 4.22Å; F100-L121 HydrophobicContact CE1-CD2 4.35Å; F100-L121 HydrophobicContact CZ-CD2 4.25Å; F100-L121 HydrophobicContact CZ-CG 4.27Å; F100-A122 HydrophobicContact CD2-CB 3.78Å; F100-A122 HydrophobicContact CE2-CB 4.28Å; F100-L125 HydrophobicContact CE2-CD1 4.18Å; F100-L125 HydrophobicContact CZ-CD1 3.93Å; F100-C127 HydrophobicContact CD2-CB 3.63Å; F100-C127 HydrophobicContact CE2-CB 3.61Å; F100-P128 PolarHBondContact N-O 2.87Å; F100-L129 HydrophobicContact CB-CD1 3.65Å; F100-L129 WeakPolarHBondContact O-CA 3.43Å; F100-L130 PolarHBondContact O-N 2.76Å
101M95.2Very high88.8Confident1 Ų146.1 Ų46.11%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-130.4117.7174.6-174.3168.5-76.500108.5F27 L31 V68 F69 I70 I71 L130 A132 L147F27-M101 HydrophobicContact CE1-SD 3.8Å; L31-M101 HydrophobicContact CD2-SD 3.92Å; V68-M101 HydrophobicContact CG1-CB 3.99Å; F69-M101 PolarHBondContact O-N 2.89Å; I70-M101 CarbonylContact C-O 3.27Å; I70-M101 WeakPolarHBondContact CA-O 3.35Å; I70-M101 HydrophobicContact CG1-CB 4.41Å; I71-M101 PolarHBondContact N-O 2.83Å; M101-L130 CarbonylContact C-O 3.12Å; M101-L130 VanDerWaalsContact CA-O 3.3Å; M101-L130 WeakPolarHBondContact CA-O 3.43Å; M101-L130 HydrophobicContact CE-CB 4.24Å; M101-L130 HydrophobicContact CE-CD1 3.86Å; M101-A132 HydrophobicContact CG-CB 3.63Å; M101-A132 HydrophobicContact SD-CB 3.76Å; M101-L147 HydrophobicContact CE-CB 4.27Å; M101-L147 HydrophobicContact CE-CD1 4.4Å; M101-L147 HydrophobicContact CE-CD2 4.1Å
102A94.1Very high88Confident0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-98.1129.5178.900000110.4I71 L73 L118 L129 L130 F131 A132I71-A102 WeakPolarHBondContact O-CA 3.35Å; L73-A102 HydrophobicContact CD1-CB 3.88Å; L73-A102 HydrophobicContact CG-CB 4.15Å; A102-L118 HydrophobicContact CB-CD2 3.78Å; A102-L129 HydrophobicContact CB-CD1 4.24Å; A102-L130 PolarHBondContact N-O 2.92Å; A102-F131 HydrophobicContact CB-CD1 3.79Å; A102-F131 HydrophobicContact CB-CE1 3.94Å; A102-A132 PolarHBondContact O-N 3.5Å
103T92.9Very high87.6Confident2 Ų248.7 Ų48.71%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-106.2162.517258.30000110.5F27 I70 I71 N72 L73 A105 A132 D134F27-T103 HydrophobicContact CB-CG2 4.31Å; F27-T103 HydrophobicContact CD1-CG2 3.67Å; F27-T103 HydrophobicContact CE1-CG2 4.15Å; F27-T103 HydrophobicContact CG-CG2 4Å; I70-T103 HydrophobicContact CG2-CG2 3.95Å; I71-T103 PolarHBondContact O-N 3.1Å; I71-T103 PolarHBondContact O-OG1 3.21Å; N72-T103 WeakPolarHBondContact CA-OG1 3.34Å; L73-T103 WeakPolarHBondContact CB-O 3.42Å; L73-T103 PolarHBondContact N-O 2.97Å; T103-A105 PolarHBondContact O-N 3.2Å; T103-A105 VanDerWaalsContact O-N 3.08Å; T103-A132 HydrophobicContact CG2-CB 4.18Å; T103-D134 HydrophobicContact CG2-CB 4.23Å
104N88.8Confident87.2Confident21 Ų2148.9 Ų48.911%0.11227%0.271CS..SBendtrans56.421.6179.3-69.9-57.4000116.3N72 T74 R106 H107 V110 D134N72-N104 PolarHBondContact OD1-ND2 3.21Å; T74-N104 HydrophobicContact CG2-CB 3.78Å; N104-R106 PolarHBondContact O-N 3.38Å; N104-H107 HydrophobicContact CB-CB 4.02Å; N104-H107 VanDerWaalsContact O-CB 3.22Å; N104-H107 WeakPolarHBondContact O-CB 3.18Å; N104-H107 PolarHBondContact O-N 3.06Å; N104-V110 WeakPolarHBondContact O-CG2 3.41Å; N104-D134 PolarHBondContact N-OD1 3.35Å; N104-D134 PolarHBondContact ND2-OD2 3.09Å; N104-D134 PolarHBondContact OD1-OD2 3.24Å
105A85.6Confident87Confident31 Ų3148.6 Ų48.626%0.25627%0.271SS..THydrogen-bonded Turntrans-59.6-23-177.800000115L73 T103 L115 F131L73-A105 HydrophobicContact CD1-CB 3.57Å; T103-A105 PolarHBondContact O-N 3.2Å; T103-A105 VanDerWaalsContact O-N 3.08Å; A105-L115 HydrophobicContact CB-CD1 4.29Å; A105-F131 HydrophobicContact CB-CD1 3.58Å; A105-F131 HydrophobicContact CB-CE1 3.96Å
106R81.3Confident86.9Confident252 Ų25247.5 Ų47.595%0.95127%0.266SS*.THydrogen-bonded Turntrans-96.3-0.5178.3-61.1-177.3179-133.30.3113.1N104N104-R106 PolarHBondContact O-N 3.38Å
107H82.1Confident86.9Confident83 Ų8349 Ų4938%0.38428%0.277SS..  trans-74.8135.6-176.1-160-85.5000110.1T74 N104 S109 V110T74-H107 HydrophobicContact CG2-CB 4.14Å; N104-H107 HydrophobicContact CB-CB 4.02Å; N104-H107 VanDerWaalsContact O-CB 3.22Å; N104-H107 WeakPolarHBondContact O-CB 3.18Å; N104-H107 PolarHBondContact O-N 3.06Å; H107-S109 PolarHBondContact CE1-OG 3.23Å; H107-S109 PolarHBondContact ND1-N 3.44Å; H107-S109 PolarHBondContact ND1-OG 3.47Å; H107-S109 PolarHBondContact O-N 2.83Å; H107-S109 VanDerWaalsContact O-N 3.1Å; H107-V110 HydrophobicContact CB-CG2 4.22Å; H107-V110 WeakPolarHBondContact O-CB 3.38Å; H107-V110 VanDerWaalsContact O-CG2 3.26Å; H107-V110 WeakPolarHBondContact O-CG2 3.43Å; H107-V110 PolarHBondContact O-N 3.49Å
108A75.9Confident86.8Confident107 Ų10748.6 Ų48.688%0.88428%0.276SS*.THydrogen-bonded Turntrans-63.3-20.4-176.300000113.5V110A108-V110 VanDerWaalsContact C-N 3.32Å
109S78.3Confident86.6Confident71 Ų7151.9 Ų51.950%0.49729%0.288SS..THydrogen-bonded Turntrans-851.7176.370.50000114.3T74 H107 R111T74-S109 WeakPolarHBondContact CG2-OG 3.45Å; H107-S109 PolarHBondContact CE1-OG 3.23Å; H107-S109 PolarHBondContact ND1-N 3.44Å; H107-S109 PolarHBondContact ND1-OG 3.47Å; H107-S109 PolarHBondContact O-N 2.83Å; H107-S109 VanDerWaalsContact O-N 3.1Å; S109-R111 PolarHBondContact O-N 2.95Å
110V79.8Confident86.5Confident32 Ų3257.9 Ų57.919%0.19432%0.316CS..PPolyproline II helixtrans-62.8124172.9174.40000108.7L73 T74 N104 H107 A108L73-V110 HydrophobicContact CB-CG1 4.2Å; L73-V110 HydrophobicContact CB-CG2 4.03Å; T74-V110 HydrophobicContact CG2-CG2 4.22Å; N104-V110 WeakPolarHBondContact O-CG2 3.41Å; H107-V110 HydrophobicContact CB-CG2 4.22Å; H107-V110 WeakPolarHBondContact O-CB 3.38Å; H107-V110 VanDerWaalsContact O-CG2 3.26Å; H107-V110 WeakPolarHBondContact O-CG2 3.43Å; H107-V110 PolarHBondContact O-N 3.49Å; A108-V110 VanDerWaalsContact C-N 3.32Å
111R76.1Confident86.4Confident97 Ų9759.3 Ų59.337%0.36632%0.324SS..PPolyproline II helixtrans-67.6140.8177.8-165.2-170.2-41.48922.4110.7D76 S109 G113 C114D76-R111 IonicContact OD1-CZ 3.62Å; D76-R111 IonicContact OD1-NE 3.22Å; D76-R111 IonicContact OD1-NH1 3.22Å; D76-R111 PolarHBondContact OD1-NH1 3.1Å; D76-R111 IonicContact OD1-NH2 3.69Å; D76-R111 PolarHBondContact OD1-NH2 2.86Å; D76-R111 IonicContact OD2-CZ 2.71Å; D76-R111 IonicContact OD2-NE 3.5Å; D76-R111 IonicContact OD2-NH1 2.73Å; D76-R111 IonicContact OD2-NH2 3.16Å; D76-R111 PolarHBondContact OD2-NH2 3.17Å; S109-R111 PolarHBondContact O-N 2.95Å; R111-G113 PolarHBondContact O-N 3.43Å; R111-C114 HydrophobicContact CB-CB 4.42Å; R111-C114 PolarHBondContact O-N 3.35Å
112T74.4Confident86.3Confident136 Ų13659.3 Ų59.383%0.83432%0.323SS*.THydrogen-bonded Turntrans-51.9129167.643.50000110.5C114T112-C114 PolarHBondContact O-N 2.92Å
113G81.6Confident86.2Confident37 Ų3761.1 Ų61.138%0.38133%0.334SS..THydrogen-bonded Turntrans83.5-13.3177.400000117.1R111 L115 D116 A117R111-G113 PolarHBondContact O-N 3.43Å; G113-L115 PolarHBondContact O-N 3.25Å; G113-D116 PolarHBondContact O-N 3.39Å; G113-A117 WeakPolarHBondContact O-CB 3.26Å; G113-A117 PolarHBondContact O-N 3.48Å
114C85.5Confident86.2Confident6 Ų665.2 Ų65.24%0.04136%0.363CS..Hα-helixtrans-62.1-45.4176.4-176.60000111.4R111 T112 D116 A117 L118R111-C114 HydrophobicContact CB-CB 4.42Å; R111-C114 PolarHBondContact O-N 3.35Å; T112-C114 PolarHBondContact O-N 2.92Å; C114-D116 VanDerWaalsContact C-N 3.33Å; C114-D116 PolarHBondContact O-N 2.89Å; C114-A117 PolarHBondContact O-N 3.39Å; C114-L118 PolarHBondContact O-N 2.93Å
115L88.7Confident86.4Confident32 Ų3266.1 Ų66.117%0.16837%0.368CS..Hα-helixtrans-63.9-40.4177.6-168.4155.8000111.3L73 A105 G113 L118 R119 F131L73-L115 HydrophobicContact CD1-CB 4.49Å; L73-L115 HydrophobicContact CD1-CD1 4.11Å; L73-L115 HydrophobicContact CD1-CG 4.34Å; A105-L115 HydrophobicContact CB-CD1 4.29Å; G113-L115 PolarHBondContact O-N 3.25Å; L115-L118 PolarHBondContact O-N 3.35Å; L115-R119 HydrophobicContact CD2-CG 4.09Å; L115-R119 VanDerWaalsContact O-CB 3.25Å; L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 3.17Å; L115-F131 HydrophobicContact CD1-CE1 3.9Å; L115-F131 HydrophobicContact CD1-CZ 4.35Å; L115-F131 HydrophobicContact CD2-CZ 4.38Å; L115-F131 HydrophobicContact CG-CE1 4.23Å; L115-F131 HydrophobicContact CG-CZ 4.44Å
116D90.1Very high86.7Confident75 Ų7569.1 Ų69.140%0.40138%0.376SS..Hα-helixtrans-69.2-37.8178.8-59.9-42.5000112G113 C114 R119 Q120G113-D116 PolarHBondContact O-N 3.39Å; C114-D116 VanDerWaalsContact C-N 3.33Å; C114-D116 PolarHBondContact O-N 2.89Å; D116-R119 VanDerWaalsContact O-CB 3.3Å; D116-R119 WeakPolarHBondContact O-CB 3.32Å; D116-R119 PolarHBondContact O-N 3.38Å; D116-R119 IonicContact OD1-NH1 2.7Å; D116-R119 PolarHBondContact OD1-NH1 3.31Å; D116-Q120 WeakPolarHBondContact O-CB 3.16Å; D116-Q120 VanDerWaalsContact O-CG 3.3Å; D116-Q120 WeakPolarHBondContact O-CG 3.33Å; D116-Q120 PolarHBondContact O-N 2.96Å
117A91.5Very high87.2Confident35 Ų3557.2 Ų57.229%0.28933%0.332SS..Hα-helixtrans-62.8-42.4172.500000112F79 G113 C114 Q120 L121F79-A117 HydrophobicContact CE1-CB 4.32Å; F79-A117 HydrophobicContact CZ-CB 4Å; G113-A117 WeakPolarHBondContact O-CB 3.26Å; G113-A117 PolarHBondContact O-N 3.48Å; C114-A117 PolarHBondContact O-N 3.39Å; A117-Q120 PolarHBondContact O-N 3.37Å; A117-L121 WeakPolarHBondContact O-CB 3.09Å; A117-L121 PolarHBondContact O-N 2.95Å
118L92.8Very high87.8Confident1 Ų153.4 Ų53.41%0.00531%0.314CS..Hα-helixtrans-64.6-42.1174.817656.4000112I71 L73 F79 F100 A102 C114 L115 L121 A122 L129I71-L118 HydrophobicContact CB-CD2 4.35Å; I71-L118 HydrophobicContact CD1-CD1 3.41Å; I71-L118 VanDerWaalsContact CD1-CD1 3.41Å; I71-L118 HydrophobicContact CD1-CD2 4.27Å; I71-L118 HydrophobicContact CD1-CG 4.48Å; I71-L118 HydrophobicContact CG2-CD2 4.32Å; L73-L118 HydrophobicContact CD2-CD2 3.94Å; F79-L118 HydrophobicContact CD2-CB 4.44Å; F79-L118 HydrophobicContact CE2-CB 3.93Å; F79-L118 HydrophobicContact CE2-CD1 4.1Å; F100-L118 HydrophobicContact CB-CD1 4.36Å; F100-L118 HydrophobicContact CD1-CD1 4.15Å; F100-L118 HydrophobicContact CG-CD1 4.22Å; A102-L118 HydrophobicContact CB-CD2 3.78Å; C114-L118 PolarHBondContact O-N 2.93Å; L115-L118 PolarHBondContact O-N 3.35Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 3.43Å; L118-A122 WeakPolarHBondContact O-CB 3.45Å; L118-A122 PolarHBondContact O-N 3.11Å; L118-L129 HydrophobicContact CD2-CD1 3.8Å; L118-L129 HydrophobicContact CG-CD1 3.99Å; L118-L129 HydrophobicContact CG-CD2 4.37Å
119R92.4Very high88.7Confident71 Ų7149.4 Ų49.427%0.26828%0.278SS..Hα-helixtrans-56.9-52.6173.1-99.1-176.1-172.2154.50.7111.5L115 D116 L121 A122 V123 L129 M174L115-R119 HydrophobicContact CD2-CG 4.09Å; L115-R119 VanDerWaalsContact O-CB 3.25Å; L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 3.17Å; D116-R119 VanDerWaalsContact O-CB 3.3Å; D116-R119 WeakPolarHBondContact O-CB 3.32Å; D116-R119 PolarHBondContact O-N 3.38Å; D116-R119 IonicContact OD1-NH1 2.7Å; D116-R119 PolarHBondContact OD1-NH1 3.31Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 3.43Å; R119-A122 PolarHBondContact O-N 2.75Å; R119-V123 WeakPolarHBondContact O-CG2 3.36Å; R119-V123 PolarHBondContact O-N 3.36Å; R119-L129 HydrophobicContact CG-CD2 3.87Å; R119-M174 HydrophobicContact CB-CE 3.31Å; R119-M174 HydrophobicContact CB-SD 3.99Å; R119-M174 HydrophobicContact CG-CE 3.77Å
120Q93.3Very high89.4Confident126 Ų12647.5 Ų47.559%0.58926%0.262SS*.Hα-helixtrans-58.2-41.8176.9-74.9176.71.400111.6D116 A117 V123 S124 M174D116-Q120 WeakPolarHBondContact O-CB 3.16Å; D116-Q120 VanDerWaalsContact O-CG 3.3Å; D116-Q120 WeakPolarHBondContact O-CG 3.33Å; D116-Q120 PolarHBondContact O-N 2.96Å; A117-Q120 PolarHBondContact O-N 3.37Å; Q120-V123 PolarHBondContact O-N 3.06Å; Q120-S124 WeakPolarHBondContact O-CB 3.29Å; Q120-S124 PolarHBondContact O-N 3.47Å; Q120-M174 HydrophobicContact CG-SD 4.16Å
121L93.5Very high90Very high30 Ų3049.8 Ų49.816%0.15727%0.27CS..Hα-helixtrans-61.3-47.2175.5-177.964.6000111.7F79 L86 F100 A117 L118 R119 V123 S124 L125F79-L121 HydrophobicContact CE2-CD2 4.01Å; F79-L121 HydrophobicContact CZ-CD2 4.22Å; L86-L121 HydrophobicContact CD1-CD1 4.06Å; L86-L121 HydrophobicContact CD1-CD2 4.04Å; L86-L121 HydrophobicContact CD1-CG 4.36Å; F100-L121 HydrophobicContact CE1-CD2 4.35Å; F100-L121 HydrophobicContact CZ-CD2 4.25Å; F100-L121 HydrophobicContact CZ-CG 4.27Å; A117-L121 WeakPolarHBondContact O-CB 3.09Å; A117-L121 PolarHBondContact O-N 2.95Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 3.43Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 3.43Å; L121-V123 VanDerWaalsContact C-N 3.35Å; L121-V123 PolarHBondContact O-N 2.83Å; L121-S124 PolarHBondContact O-N 3Å; L121-L125 HydrophobicContact CD1-CD1 3.71Å; L121-L125 HydrophobicContact CD1-CG 4.4Å; L121-L125 HydrophobicContact CG-CD1 4.04Å; L121-L125 WeakPolarHBondContact O-CB 3.47Å; L121-L125 WeakPolarHBondContact O-CG 3.27Å; L121-L125 PolarHBondContact O-N 3.36Å; L121-L125 VanDerWaalsContact O-N 3.08Å
122A93.6Very high90.8Very high0 Ų045.6 Ų45.60%026%0.256CS..Hα-helixtrans-62.8-40.6178.200000112F100 L118 R119 L125 H126 C127 L129 C172F100-A122 HydrophobicContact CD2-CB 3.78Å; F100-A122 HydrophobicContact CE2-CB 4.28Å; L118-A122 WeakPolarHBondContact O-CB 3.45Å; L118-A122 PolarHBondContact O-N 3.11Å; R119-A122 PolarHBondContact O-N 2.75Å; A122-L125 CarbonylContact O-C 3.57Å; A122-L125 PolarHBondContact O-N 2.99Å; A122-H126 PolarHBondContact O-N 3.11Å; A122-C127 PolarHBondContact O-N 3.22Å; A122-L129 HydrophobicContact CB-CB 4.13Å; A122-C172 HydrophobicContact CB-CB 3.83Å
123V93.2Very high91.4Very high38 Ų3844.2 Ų44.223%0.2324%0.24CC..Hα-helixtrans-63.4-48.5175170.70000111.4R119 Q120 L121 L125 H126 C172 M174R119-V123 WeakPolarHBondContact O-CG2 3.36Å; R119-V123 PolarHBondContact O-N 3.36Å; Q120-V123 PolarHBondContact O-N 3.06Å; L121-V123 VanDerWaalsContact C-N 3.35Å; L121-V123 PolarHBondContact O-N 2.83Å; V123-L125 PolarHBondContact O-N 2.8Å; V123-H126 PolarHBondContact O-N 3.02Å; V123-H126 VanDerWaalsContact O-N 3.09Å; V123-C172 HydrophobicContact CG2-CB 4.01Å; V123-C172 WeakPolarHBondContact CG2-O 3.36Å; V123-M174 HydrophobicContact CB-CE 4.48Å; V123-M174 HydrophobicContact CG2-CE 3.36Å; V123-M174 HydrophobicContact CG2-CG 4.12Å; V123-M174 HydrophobicContact CG2-SD 4.44Å
124S92.8Very high91.5Very high89 Ų8944.4 Ų44.462%0.62223%0.232SC*.Hα-helixtrans-61-30-179.6-1790000112.6Q120 L121Q120-S124 WeakPolarHBondContact O-CB 3.29Å; Q120-S124 PolarHBondContact O-N 3.47Å; L121-S124 PolarHBondContact O-N 3Å
125L92.3Very high91.4Very high39 Ų3950.6 Ų50.620%0.20426%0.26CS..THydrogen-bonded Turntrans-99.95.5-179.9-63172.2000113L86 F94 F100 L121 A122 V123 C127L86-L125 HydrophobicContact CD1-CD1 3.68Å; L86-L125 HydrophobicContact CD2-CD1 4.29Å; F94-L125 HydrophobicContact CD1-CB 4.04Å; F94-L125 HydrophobicContact CD1-CD2 4.28Å; F94-L125 HydrophobicContact CE1-CB 4.34Å; F94-L125 HydrophobicContact CE1-CD1 4.02Å; F94-L125 HydrophobicContact CE1-CD2 4.11Å; F94-L125 HydrophobicContact CE1-CG 4.39Å; F94-L125 HydrophobicContact CZ-CD2 4.4Å; F100-L125 HydrophobicContact CE2-CD1 4.18Å; F100-L125 HydrophobicContact CZ-CD1 3.93Å; L121-L125 HydrophobicContact CD1-CD1 3.71Å; L121-L125 HydrophobicContact CD1-CG 4.4Å; L121-L125 HydrophobicContact CG-CD1 4.04Å; L121-L125 WeakPolarHBondContact O-CB 3.47Å; L121-L125 WeakPolarHBondContact O-CG 3.27Å; L121-L125 PolarHBondContact O-N 3.36Å; L121-L125 VanDerWaalsContact O-N 3.08Å; A122-L125 CarbonylContact O-C 3.57Å; A122-L125 PolarHBondContact O-N 2.99Å; V123-L125 PolarHBondContact O-N 2.8Å; L125-C127 PolarHBondContact O-N 2.98Å; L125-C127 VanDerWaalsContact O-N 3.1Å; L125-C127 PolarHBondContact O-SG 2.84Å
126H91.1Very high91.3Very high95 Ų9551.5 Ų51.544%0.4427%0.267SS..THydrogen-bonded Turntrans51.231.5-176.7-61.3-73.3000114.3A122 V123 S167 R171A122-H126 PolarHBondContact O-N 3.11Å; V123-H126 PolarHBondContact O-N 3.02Å; V123-H126 VanDerWaalsContact O-N 3.09Å; H126-S167 PolarHBondContact O-OG 2.81Å; H126-S167 VanDerWaalsContact O-OG 3.11Å; H126-R171 PolarHBondContact CE1-NH2 2.77Å; H126-R171 PolarHBondContact ND1-NH2 2.87Å
127C92.7Very high91.1Very high1 Ų152.9 Ų52.91%0.00728%0.28CS..  trans-94.7148.9-177.1-67.60000111.5F100 A122 L125 C172F100-C127 HydrophobicContact CD2-CB 3.63Å; F100-C127 HydrophobicContact CE2-CB 3.61Å; A122-C127 PolarHBondContact O-N 3.22Å; L125-C127 PolarHBondContact O-N 2.98Å; L125-C127 VanDerWaalsContact O-N 3.1Å; L125-C127 PolarHBondContact O-SG 2.84Å; C127-C172 PolarHBondContact O-N 2.76Å
128P93.7Very high91Very high4 Ų459 Ų593%0.02630%0.303CS..BIsolated β-bridgetrans-64.7144.8166.1-19.233.7000111.4V98 F100 T170V98-P128 VanDerWaalsContact O-CD 3.32Å; V98-P128 WeakPolarHBondContact O-CD 3.46Å; F100-P128 PolarHBondContact N-O 2.87Å; P128-T170 WeakPolarHBondContact CA-O 3.42Å; P128-T170 VanDerWaalsContact CG-OG1 3.29Å; P128-T170 WeakPolarHBondContact CG-OG1 3.45Å
129L94.8Very high90.9Very high22 Ų2259.1 Ų59.112%0.11531%0.305CS..EExtended strand (participates in β ladder)trans-122.1114.4172.4175.161.5000108.9F100 A102 L118 R119 A122 F131 C172F100-L129 HydrophobicContact CB-CD1 3.65Å; F100-L129 WeakPolarHBondContact O-CA 3.43Å; A102-L129 HydrophobicContact CB-CD1 4.24Å; L118-L129 HydrophobicContact CD2-CD1 3.8Å; L118-L129 HydrophobicContact CG-CD1 3.99Å; L118-L129 HydrophobicContact CG-CD2 4.37Å; R119-L129 HydrophobicContact CG-CD2 3.87Å; A122-L129 HydrophobicContact CB-CB 4.13Å; L129-F131 HydrophobicContact CD2-CE2 4.32Å; L129-F131 HydrophobicContact CD2-CZ 3.96Å; L129-F131 HydrophobicContact CG-CE2 4.36Å; L129-F131 HydrophobicContact CG-CZ 4.32Å; L129-C172 HydrophobicContact CB-CB 4.19Å
130L93.9Very high90.7Very high31 Ų3155.8 Ų55.816%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-101.3141.8174.8-59.9-177.5000110.1F100 M101 A102 R146 I150F100-L130 PolarHBondContact O-N 2.76Å; M101-L130 CarbonylContact C-O 3.12Å; M101-L130 VanDerWaalsContact CA-O 3.3Å; M101-L130 WeakPolarHBondContact CA-O 3.43Å; M101-L130 HydrophobicContact CE-CB 4.24Å; M101-L130 HydrophobicContact CE-CD1 3.86Å; A102-L130 PolarHBondContact N-O 2.92Å; L130-R146 HydrophobicContact CD1-CB 4.32Å; L130-I150 HydrophobicContact CD1-CD1 3.84Å; L130-I150 HydrophobicContact CG-CD1 4.42Å
131F92.5Very high90.6Very high81 Ų8151.6 Ų51.636%0.35528%0.279SS..EExtended strand (participates in β ladder)trans-99117.7167.5-66-81000108.3A102 A105 L115 L129A102-F131 HydrophobicContact CB-CD1 3.79Å; A102-F131 HydrophobicContact CB-CE1 3.94Å; A105-F131 HydrophobicContact CB-CD1 3.58Å; A105-F131 HydrophobicContact CB-CE1 3.96Å; L115-F131 HydrophobicContact CD1-CE1 3.9Å; L115-F131 HydrophobicContact CD1-CZ 4.35Å; L115-F131 HydrophobicContact CD2-CZ 4.38Å; L115-F131 HydrophobicContact CG-CE1 4.23Å; L115-F131 HydrophobicContact CG-CZ 4.44Å; L129-F131 HydrophobicContact CD2-CE2 4.32Å; L129-F131 HydrophobicContact CD2-CZ 3.96Å; L129-F131 HydrophobicContact CG-CE2 4.36Å; L129-F131 HydrophobicContact CG-CZ 4.32Å
132A91.9Very high90.6Very high9 Ų952.8 Ų52.87%0.07429%0.29CS..PPolyproline II helixtrans-95.8141.5176.200000110F27 M101 A102 T103 S143F27-A132 HydrophobicContact CE1-CB 3.72Å; F27-A132 HydrophobicContact CZ-CB 3.81Å; M101-A132 HydrophobicContact CG-CB 3.63Å; M101-A132 HydrophobicContact SD-CB 3.76Å; A102-A132 PolarHBondContact O-N 3.5Å; T103-A132 HydrophobicContact CG2-CB 4.18Å; A132-S143 WeakPolarHBondContact CA-OG 3.34Å; A132-S143 WeakPolarHBondContact CB-OG 3.3Å
133E86.9Confident90.6Very high106 Ų10653 Ų5350%0.49529%0.292SS..  trans-98.9106.5170-179.2173.6-176.500107.8T136 G139 A140E133-T136 PolarHBondContact OE1-OG1 2.94Å; E133-G139 CarbonylContact O-C 3.59Å; E133-G139 WeakPolarHBondContact O-CA 3.31Å; E133-A140 PolarHBondContact O-N 3.41Å; E133-A140 VanDerWaalsContact O-N 3.16Å
134D84.2Confident90.7Very high41 Ų4151.3 Ų51.322%0.21928%0.281CS..  trans-93-12.3-174.256.8-41.7000113.4F27 T103 N104F27-D134 HydrophobicContact CD2-CB 3.47Å; F27-D134 VanDerWaalsContact CD2-CB 3.47Å; F27-D134 HydrophobicContact CE2-CB 3.82Å; F27-D134 HydrophobicContact CG-CB 4.07Å; T103-D134 HydrophobicContact CG2-CB 4.23Å; N104-D134 PolarHBondContact N-OD1 3.35Å; N104-D134 PolarHBondContact ND2-OD2 3.09Å; N104-D134 PolarHBondContact OD1-OD2 3.24Å
135Q83.1Confident90.7Very high136 Ų13656.1 Ų56.164%0.63629%0.286SS*.SBendtrans-81.1-22.7-175.4-60.5-1744.700113.9
136T87.5Confident90.8Very high51 Ų5160.7 Ų60.731%0.31330%0.3SS..SBendtrans-123.2144.2-177.163.80000110.9E133 E138 G139 A140E133-T136 PolarHBondContact OE1-OG1 2.94Å; T136-E138 PolarHBondContact O-N 3.44Å; T136-G139 PolarHBondContact O-N 3.11Å; T136-G139 PolarHBondContact OG1-N 3.18Å; T136-G139 VanDerWaalsContact OG1-N 3.11Å; T136-A140 PolarHBondContact O-N 3.33Å; T136-A140 VanDerWaalsContact O-N 3.09Å
137P85.9Confident91Very high105 Ų10556.1 Ų56.168%0.68228%0.279SS*.Hα-helixtrans-63.6-33.2177.325.5-33.7000112A140 A141P137-A140 PolarHBondContact O-N 2.98Å; P137-A141 WeakPolarHBondContact O-CB 3.38Å; P137-A141 PolarHBondContact O-N 3.09Å
138E89.2Confident91.1Very high163 Ų16356.9 Ų56.976%0.76228%0.283SS*.Hα-helixtrans-66.1-38.8174.5-64.5-179.2-178.300112.1T136 A141 S142T136-E138 PolarHBondContact O-N 3.44Å; E138-A141 PolarHBondContact O-N 3.34Å; E138-S142 WeakPolarHBondContact O-CB 3.47Å; E138-S142 PolarHBondContact O-N 3.37Å
139G89.5Confident91.2Very high4 Ų460.5 Ų60.54%0.04131%0.305CS..Hα-helixtrans-61.9-43.9173.900000112.5E133 T136 S142 S143E133-G139 CarbonylContact O-C 3.59Å; E133-G139 WeakPolarHBondContact O-CA 3.31Å; T136-G139 PolarHBondContact O-N 3.11Å; T136-G139 PolarHBondContact OG1-N 3.18Å; T136-G139 VanDerWaalsContact OG1-N 3.11Å; G139-S142 PolarHBondContact O-N 2.87Å; G139-S143 WeakPolarHBondContact O-CB 3.4Å; G139-S143 PolarHBondContact O-N 3.41Å; G139-S143 PolarHBondContact O-OG 3.35Å
140A89.2Confident91.2Very high0 Ų060.2 Ų60.20%030%0.304CS..Hα-helixtrans-62.2-44.5174.300000111.5F27 N30 E133 T136 P137 S142 S143 A144F27-A140 HydrophobicContact CE2-CB 3.94Å; F27-A140 HydrophobicContact CZ-CB 4.48Å; N30-A140 WeakPolarHBondContact ND2-CB 3.43Å; E133-A140 PolarHBondContact O-N 3.41Å; E133-A140 VanDerWaalsContact O-N 3.16Å; T136-A140 PolarHBondContact O-N 3.33Å; T136-A140 VanDerWaalsContact O-N 3.09Å; P137-A140 PolarHBondContact O-N 2.98Å; A140-S142 PolarHBondContact O-N 3.4Å; A140-S143 WeakPolarHBondContact O-CB 3.42Å; A140-S143 PolarHBondContact O-N 3.3Å; A140-A144 WeakPolarHBondContact O-CB 3.44Å; A140-A144 PolarHBondContact O-N 3.31Å
141A92.1Very high91.2Very high39 Ų3958.8 Ų58.832%0.32230%0.296SS..Hα-helixtrans-64.7-39.8177.400000113.3T34 P137 E138 S143 A144 R145T34-A141 HydrophobicContact CG2-CB 4.22Å; P137-A141 WeakPolarHBondContact O-CB 3.38Å; P137-A141 PolarHBondContact O-N 3.09Å; E138-A141 PolarHBondContact O-N 3.34Å; A141-S143 VanDerWaalsContact C-N 3.34Å; A141-A144 PolarHBondContact O-N 3.02Å; A141-R145 WeakPolarHBondContact O-CB 3.48Å; A141-R145 PolarHBondContact O-N 3.47Å
142S93.1Very high91.4Very high54 Ų5457.3 Ų57.338%0.37829%0.289SS..Hα-helixtrans-62.5-42.7173.3-176.60000111.4E138 G139 A140 R145 R146E138-S142 WeakPolarHBondContact O-CB 3.47Å; E138-S142 PolarHBondContact O-N 3.37Å; G139-S142 PolarHBondContact O-N 2.87Å; A140-S142 PolarHBondContact O-N 3.4Å; S142-R145 PolarHBondContact O-N 3.5Å; S142-R146 WeakPolarHBondContact O-CG 3.24Å; S142-R146 PolarHBondContact O-N 3.28Å
143S93.4Very high91.5Very high6 Ų657.3 Ų57.34%0.04229%0.289CS..Hα-helixtrans-64.6-45177.1-55.70000111.5A132 G139 A140 A141 R145 R146 L147A132-S143 WeakPolarHBondContact CA-OG 3.34Å; A132-S143 WeakPolarHBondContact CB-OG 3.3Å; G139-S143 WeakPolarHBondContact O-CB 3.4Å; G139-S143 PolarHBondContact O-N 3.41Å; G139-S143 PolarHBondContact O-OG 3.35Å; A140-S143 WeakPolarHBondContact O-CB 3.42Å; A140-S143 PolarHBondContact O-N 3.3Å; A141-S143 VanDerWaalsContact C-N 3.34Å; S143-R145 VanDerWaalsContact C-N 3.35Å; S143-R145 PolarHBondContact O-N 3.43Å; S143-R146 PolarHBondContact O-N 3.45Å; S143-L147 WeakPolarHBondContact O-CB 3.3Å; S143-L147 PolarHBondContact O-N 3.31Å
144A94.4Very high91.8Very high1 Ų152.5 Ų52.51%0.00827%0.267CS..Hα-helixtrans-58.6-45.2174.200000111.4L31 T34 L35 A140 A141 R146 L147 L148L31-A144 HydrophobicContact CD1-CB 3.82Å; T34-A144 HydrophobicContact CG2-CB 3.69Å; L35-A144 HydrophobicContact CD2-CB 4.11Å; L35-A144 HydrophobicContact CG-CB 4.38Å; A140-A144 WeakPolarHBondContact O-CB 3.44Å; A140-A144 PolarHBondContact O-N 3.31Å; A141-A144 PolarHBondContact O-N 3.02Å; A144-R146 PolarHBondContact O-N 3Å; A144-L147 CarbonylContact O-C 3.52Å; A144-L147 PolarHBondContact O-N 3.08Å; A144-L148 WeakPolarHBondContact O-CB 3.47Å; A144-L148 WeakPolarHBondContact O-CG 3.04Å; A144-L148 PolarHBondContact O-N 3.35Å
145R94.3Very high92.2Very high190 Ų19051.3 Ų51.372%0.71726%0.262SS*.Hα-helixtrans-61.6-45.6179-171-179.3-64.8-177.40.6112.4A141 S142 S143 L147 L148 T149A141-R145 WeakPolarHBondContact O-CB 3.48Å; A141-R145 PolarHBondContact O-N 3.47Å; S142-R145 PolarHBondContact O-N 3.5Å; S143-R145 VanDerWaalsContact C-N 3.35Å; S143-R145 PolarHBondContact O-N 3.43Å; R145-L147 VanDerWaalsContact C-N 3.29Å; R145-L147 PolarHBondContact O-N 2.92Å; R145-L148 PolarHBondContact O-N 2.92Å; R145-T149 PolarHBondContact O-N 3.34Å; R145-T149 VanDerWaalsContact O-N 3.13Å; R145-T149 PolarHBondContact O-OG1 2.98Å
146R94.1Very high92.7Very high135 Ų13547.6 Ų47.651%0.50926%0.26SS..Hα-helixtrans-61-42.3175.3-69.8176.2-173.8179.21.4111L130 S142 S143 A144 T149 I150L130-R146 HydrophobicContact CD1-CB 4.32Å; S142-R146 WeakPolarHBondContact O-CG 3.24Å; S142-R146 PolarHBondContact O-N 3.28Å; S143-R146 PolarHBondContact O-N 3.45Å; A144-R146 PolarHBondContact O-N 3Å; R146-T149 WeakPolarHBondContact O-CB 2.99Å; R146-T149 PolarHBondContact O-N 3.32Å; R146-I150 PolarHBondContact O-N 3.49Å
147L95Very high92.9Very high0 Ų048 Ų480%026%0.26CS..Hα-helixtrans-67.9-38.3179.8-171.559.8000112.4I18 L20 L31 L35 L66 V68 M101 S143 A144 R145 T149 I150 L151I18-L147 HydrophobicContact CD1-CD1 4.2Å; I18-L147 HydrophobicContact CD1-CD2 3.64Å; I18-L147 HydrophobicContact CD1-CG 3.74Å; L20-L147 HydrophobicContact CD2-CD2 4.14Å; L31-L147 HydrophobicContact CD2-CD2 3.83Å; L31-L147 HydrophobicContact CG-CD2 4.46Å; L35-L147 HydrophobicContact CD1-CD2 4.1Å; L35-L147 HydrophobicContact CD2-CD2 4.49Å; L66-L147 HydrophobicContact CD2-CD1 3.73Å; V68-L147 HydrophobicContact CG1-CD1 4.4Å; V68-L147 HydrophobicContact CG1-CD2 4.46Å; V68-L147 HydrophobicContact CG2-CD1 3.63Å; V68-L147 HydrophobicContact CG2-CD2 4.04Å; V68-L147 HydrophobicContact CG2-CG 4.35Å; M101-L147 HydrophobicContact CE-CB 4.27Å; M101-L147 HydrophobicContact CE-CD1 4.4Å; M101-L147 HydrophobicContact CE-CD2 4.1Å; S143-L147 WeakPolarHBondContact O-CB 3.3Å; S143-L147 PolarHBondContact O-N 3.31Å; A144-L147 CarbonylContact O-C 3.52Å; A144-L147 PolarHBondContact O-N 3.08Å; R145-L147 VanDerWaalsContact C-N 3.29Å; R145-L147 PolarHBondContact O-N 2.92Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 3.47Å; L147-I150 PolarHBondContact O-N 3.4Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 PolarHBondContact O-N 2.92Å
148L95.2Very high93.3Very high16 Ų1645.3 Ų45.38%0.08424%0.242CC..Hα-helixtrans-59.3-39.8172.6-79.2163.8000111.7L35 E38 V43 A144 R145 L151 K152L35-L148 HydrophobicContact CD2-CD1 4.14Å; L35-L148 HydrophobicContact CD2-CD2 3.83Å; L35-L148 HydrophobicContact CD2-CG 3.53Å; E38-L148 HydrophobicContact CB-CD1 4.18Å; E38-L148 HydrophobicContact CB-CD2 4.06Å; E38-L148 HydrophobicContact CG-CD2 4.12Å; V43-L148 HydrophobicContact CG2-CD2 3.84Å; A144-L148 WeakPolarHBondContact O-CB 3.47Å; A144-L148 WeakPolarHBondContact O-CG 3.04Å; A144-L148 PolarHBondContact O-N 3.35Å; R145-L148 PolarHBondContact O-N 2.92Å; L148-L151 HydrophobicContact CD2-CD2 4.47Å; L148-L151 PolarHBondContact O-N 3.04Å; L148-K152 WeakPolarHBondContact O-CB 3.28Å; L148-K152 VanDerWaalsContact O-CG 3.26Å; L148-K152 WeakPolarHBondContact O-CG 2.97Å; L148-K152 PolarHBondContact O-N 3.13Å
149T94.3Very high93.3Very high81 Ų8142.4 Ų42.450%0.49724%0.237SC..Hα-helixtrans-59.8-47.1174.9-53.90000111.3R145 R146 L147 V153R145-T149 PolarHBondContact O-N 3.34Å; R145-T149 VanDerWaalsContact O-N 3.13Å; R145-T149 PolarHBondContact O-OG1 2.98Å; R146-T149 WeakPolarHBondContact O-CB 2.99Å; R146-T149 PolarHBondContact O-N 3.32Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 3.47Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 2.98Å
150I95Very high93.3Very high15 Ų1550.4 Ų50.48%0.07728%0.279CS..Hα-helixtrans-64.5-44.6177.6-59.6174.8000110.6L66 L130 R146 L147 K152 V153 A154 L166L66-I150 HydrophobicContact CD1-CG2 4.04Å; L66-I150 HydrophobicContact CD2-CB 4.31Å; L66-I150 HydrophobicContact CD2-CG2 3.89Å; L130-I150 HydrophobicContact CD1-CD1 3.84Å; L130-I150 HydrophobicContact CG-CD1 4.42Å; R146-I150 PolarHBondContact O-N 3.49Å; L147-I150 PolarHBondContact O-N 3.4Å; I150-K152 PolarHBondContact O-N 2.99Å; I150-V153 PolarHBondContact O-N 3.38Å; I150-A154 WeakPolarHBondContact O-CB 3.36Å; I150-A154 PolarHBondContact O-N 3.2Å; I150-L166 HydrophobicContact CB-CD2 4.26Å; I150-L166 HydrophobicContact CG1-CD2 4.11Å; I150-L166 HydrophobicContact CG2-CD2 4.27Å
151L95.6Very high93.5Very high1 Ų152.3 Ų52.31%0.00529%0.291CS..Hα-helixtrans-60-47.5-179.8176.461.3000111.8A16 I18 V43 D65 L66 L147 L148 V153 A154 S155A16-L151 HydrophobicContact CB-CD1 3.97Å; A16-L151 HydrophobicContact CB-CD2 3.87Å; A16-L151 HydrophobicContact CB-CG 3.7Å; I18-L151 HydrophobicContact CB-CD1 3.95Å; I18-L151 HydrophobicContact CB-CD2 3.98Å; I18-L151 HydrophobicContact CD1-CD2 4.3Å; I18-L151 HydrophobicContact CG1-CD1 4.49Å; I18-L151 HydrophobicContact CG2-CD2 4.21Å; V43-L151 HydrophobicContact CG1-CD2 3.85Å; V43-L151 HydrophobicContact CG2-CD2 4.44Å; D65-L151 HydrophobicContact CB-CD1 4.25Å; L66-L151 HydrophobicContact CB-CD1 3.78Å; L66-L151 HydrophobicContact CD2-CB 4.02Å; L66-L151 HydrophobicContact CD2-CD1 4.41Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 PolarHBondContact O-N 2.92Å; L148-L151 HydrophobicContact CD2-CD2 4.47Å; L148-L151 PolarHBondContact O-N 3.04Å; L151-V153 VanDerWaalsContact C-N 3.27Å; L151-V153 PolarHBondContact O-N 3.28Å; L151-A154 CarbonylContact O-C 3.57Å; L151-A154 PolarHBondContact O-N 2.9Å; L151-A154 VanDerWaalsContact O-N 3.1Å; L151-S155 PolarHBondContact O-N 2.75Å; L151-S155 PolarHBondContact O-OG 3.16Å; L151-S155 VanDerWaalsContact O-OG 3.07Å
152K94.7Very high93.5Very high50 Ų5054.4 Ų54.422%0.21730%0.3CS..Hα-helixtrans-59.9-38.3178.8-73.7175.5-175.8-1800111.8E38 L148 I150 S155 G156 L157 V158E38-K152 VanDerWaalsContact CD-NZ 3.32Å; E38-K152 IonicContact OE1-NZ 2.78Å; E38-K152 WeakPolarHBondContact OE2-CE 3.26Å; E38-K152 IonicContact OE2-NZ 3.27Å; E38-K152 PolarHBondContact OE2-NZ 3.4Å; L148-K152 WeakPolarHBondContact O-CB 3.28Å; L148-K152 VanDerWaalsContact O-CG 3.26Å; L148-K152 WeakPolarHBondContact O-CG 2.97Å; L148-K152 PolarHBondContact O-N 3.13Å; I150-K152 PolarHBondContact O-N 2.99Å; K152-S155 PolarHBondContact O-OG 2.96Å; K152-G156 PolarHBondContact O-N 3.16Å; K152-L157 PolarHBondContact O-N 3.23Å; K152-V158 HydrophobicContact CB-CG2 3.95Å
153V95Very high93.4Very high9 Ų952.6 Ų52.66%0.05529%0.288CS..Hα-helixtrans-71.1-41.4174.3175.50000111.1T149 I150 L151 S155 G156 V158 T161 T162 L166T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 2.98Å; I150-V153 PolarHBondContact O-N 3.38Å; L151-V153 VanDerWaalsContact C-N 3.27Å; L151-V153 PolarHBondContact O-N 3.28Å; V153-S155 VanDerWaalsContact C-N 3.34Å; V153-S155 PolarHBondContact O-N 3.3Å; V153-G156 PolarHBondContact O-N 3.13Å; V153-G156 VanDerWaalsContact O-N 3.15Å; V153-V158 HydrophobicContact CG2-CB 3.94Å; V153-V158 HydrophobicContact CG2-CG1 4.4Å; V153-V158 HydrophobicContact CG2-CG2 3.66Å; V153-T161 HydrophobicContact CG1-CG2 3.7Å; V153-T161 HydrophobicContact CG2-CG2 4.03Å; V153-T162 VanDerWaalsContact CG1-C 3.46Å; V153-T162 WeakPolarHBondContact CG1-O 3.3Å; V153-L166 HydrophobicContact CB-CD2 3.77Å; V153-L166 HydrophobicContact CG1-CB 3.89Å; V153-L166 HydrophobicContact CG1-CD2 3.92Å; V153-L166 HydrophobicContact CG2-CD2 3.95Å
154A93.4Very high93.3Very high6 Ų656.6 Ų56.65%0.0531%0.308CS..Hα-helixtrans-67.2-32.2-179.500000113.4L66 K97 I150 L151 G156 A163L66-A154 HydrophobicContact CB-CB 4.29Å; K97-A154 PolarHBondContact NZ-O 2.98Å; I150-A154 WeakPolarHBondContact O-CB 3.36Å; I150-A154 PolarHBondContact O-N 3.2Å; L151-A154 CarbonylContact O-C 3.57Å; L151-A154 PolarHBondContact O-N 2.9Å; L151-A154 VanDerWaalsContact O-N 3.1Å; A154-G156 VanDerWaalsContact C-N 3.33Å; A154-A163 HydrophobicContact CB-CB 4.47Å
155S92.9Very high93.2Very high15 Ų1562.7 Ų62.711%0.10533%0.332CS..Hα-helixtrans-81.2-10.8174.161.40000113.4L151 K152 V153 L157L151-S155 PolarHBondContact O-N 2.75Å; L151-S155 PolarHBondContact O-OG 3.16Å; L151-S155 VanDerWaalsContact O-OG 3.07Å; K152-S155 PolarHBondContact O-OG 2.96Å; V153-S155 VanDerWaalsContact C-N 3.34Å; V153-S155 PolarHBondContact O-N 3.3Å; S155-L157 WeakPolarHBondContact OG-CD1 3.33Å; S155-L157 VanDerWaalsContact OG-CG 3.3Å; S155-L157 WeakPolarHBondContact OG-CG 3.5Å
156G92.4Very high93Very high58 Ų5854.9 Ų54.960%0.59830%0.304SS*.THydrogen-bonded Turntrans83.520.5178.900000114.3K152 V153 A154K152-G156 PolarHBondContact O-N 3.16Å; V153-G156 PolarHBondContact O-N 3.13Å; V153-G156 VanDerWaalsContact O-N 3.15Å; A154-G156 VanDerWaalsContact C-N 3.33Å
157L92.7Very high92.6Very high59 Ų5948.8 Ų48.831%0.30928%0.282SS..  trans-83.3-12.9179.6-63.5169.4000113.3A16 V41 K152 S155A16-L157 HydrophobicContact CB-CD1 4.12Å; V41-L157 HydrophobicContact CB-CD1 4.16Å; V41-L157 HydrophobicContact CG1-CD1 3.25Å; V41-L157 HydrophobicContact CG2-CD1 3.76Å; K152-L157 PolarHBondContact O-N 3.23Å; S155-L157 WeakPolarHBondContact OG-CD1 3.33Å; S155-L157 VanDerWaalsContact OG-CG 3.3Å; S155-L157 WeakPolarHBondContact OG-CG 3.5Å
158V93.1Very high92.3Very high49 Ų4953.3 Ų53.330%0.29731%0.306SS..SBendtrans-96.3116.3175.9-177.50000109.1K152 V153K152-V158 HydrophobicContact CB-CG2 3.95Å; V153-V158 HydrophobicContact CG2-CB 3.94Å; V153-V158 HydrophobicContact CG2-CG1 4.4Å; V153-V158 HydrophobicContact CG2-CG2 3.66Å
159P89.9Confident91.9Very high102 Ų10258 Ų5866%0.66233%0.331SS*.THydrogen-bonded Turntrans-63147.417926.9-33.7000110.7T161P159-T161 PolarHBondContact O-N 3.18Å
160N89.8Confident91.5Very high172 Ų17256.6 Ų56.692%0.9232%0.323SS*.THydrogen-bonded Turntrans61.18.9176-51.8-38000115.9
161T92.5Very high90.9Very high41 Ų4160.7 Ų60.725%0.25234%0.337SS..  trans-127.4132179-520000109.6V153 P159 Y165V153-T161 HydrophobicContact CG1-CG2 3.7Å; V153-T161 HydrophobicContact CG2-CG2 4.03Å; P159-T161 PolarHBondContact O-N 3.18Å; T161-Y165 HydrophobicContact CG2-CD1 3.99Å
162T92Very high90.2Very high83 Ų8361.5 Ų61.551%0.50934%0.342SS..  trans-112.815817866.30000111.5V153 L164 Y165 L166V153-T162 VanDerWaalsContact CG1-C 3.46Å; V153-T162 WeakPolarHBondContact CG1-O 3.3Å; T162-L164 VanDerWaalsContact C-N 3.26Å; T162-L164 PolarHBondContact O-N 3.03Å; T162-Y165 PolarHBondContact O-N 3.03Å; T162-Y165 VanDerWaalsContact O-N 3.16Å; T162-Y165 WeakPolarHBondContact OG1-CB 3.1Å; T162-Y165 PolarHBondContact OG1-N 3.45Å; T162-L166 PolarHBondContact O-N 2.66Å
163A92.3Very high89.4Confident16 Ų1663.9 Ų63.913%0.13236%0.362CS..Hα-helixtrans-53.2-44.3174.100000112.1K97 A154 Y165 L166 S167K97-A163 HydrophobicContact CG-CB 4.44Å; A154-A163 HydrophobicContact CB-CB 4.47Å; A163-Y165 PolarHBondContact O-N 3.37Å; A163-L166 PolarHBondContact O-N 2.69Å; A163-S167 VanDerWaalsContact O-CB 3.3Å; A163-S167 WeakPolarHBondContact O-CB 3.26Å; A163-S167 PolarHBondContact O-N 2.7Å
164L91.4Very high88.3Confident89 Ų8966.8 Ų66.847%0.46638%0.375SS..Hα-helixtrans-62.7-43.3178.7-178.863.6000111.9L95 T162 S167 N168L95-L164 HydrophobicContact CB-CD1 4.29Å; L95-L164 HydrophobicContact CD2-CD1 4.17Å; T162-L164 VanDerWaalsContact C-N 3.26Å; T162-L164 PolarHBondContact O-N 3.03Å; L164-S167 PolarHBondContact O-N 3.39Å; L164-N168 PolarHBondContact O-N 3.32Å; L164-N168 VanDerWaalsContact O-N 3.17Å; L164-N168 PolarHBondContact O-ND2 3.24Å; L164-N168 VanDerWaalsContact O-ND2 3.1Å
165Y91.9Very high87Confident129 Ų12970.4 Ų70.451%0.50640%0.398SS..Hα-helixtrans-62.6-50177.2177.5-102.4000111.4T161 T162 A163 S167 N168 L169T161-Y165 HydrophobicContact CG2-CD1 3.99Å; T162-Y165 PolarHBondContact O-N 3.03Å; T162-Y165 VanDerWaalsContact O-N 3.16Å; T162-Y165 WeakPolarHBondContact OG1-CB 3.1Å; T162-Y165 PolarHBondContact OG1-N 3.45Å; A163-Y165 PolarHBondContact O-N 3.37Å; Y165-S167 VanDerWaalsContact C-N 3.29Å; Y165-S167 PolarHBondContact O-N 3.37Å; Y165-N168 PolarHBondContact O-N 3.35Å; Y165-N168 VanDerWaalsContact O-N 3.17Å; Y165-L169 HydrophobicContact CD1-CD1 4.11Å; Y165-L169 HydrophobicContact CE1-CD1 3.49Å; Y165-L169 VanDerWaalsContact CE1-CD1 3.49Å; Y165-L169 HydrophobicContact CE1-CG 4.36Å; Y165-L169 PolarHBondContact O-N 3.16Å
166L89Confident85.2Confident27 Ų2774.9 Ų74.914%0.14143%0.427CS..Hα-helixtrans-61.7-39.5178.5-179.365.6000111.9I150 V153 T162 A163 N168 L169 T170I150-L166 HydrophobicContact CB-CD2 4.26Å; I150-L166 HydrophobicContact CG1-CD2 4.11Å; I150-L166 HydrophobicContact CG2-CD2 4.27Å; V153-L166 HydrophobicContact CB-CD2 3.77Å; V153-L166 HydrophobicContact CG1-CB 3.89Å; V153-L166 HydrophobicContact CG1-CD2 3.92Å; V153-L166 HydrophobicContact CG2-CD2 3.95Å; T162-L166 PolarHBondContact O-N 2.66Å; A163-L166 PolarHBondContact O-N 2.69Å; L166-N168 VanDerWaalsContact C-N 3.26Å; L166-N168 PolarHBondContact O-N 3.25Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-L169 VanDerWaalsContact O-N 3.09Å; L166-T170 HydrophobicContact CD1-CG2 3.84Å; L166-T170 HydrophobicContact CG-CG2 4.27Å; L166-T170 WeakPolarHBondContact O-CB 3.22Å; L166-T170 PolarHBondContact O-N 2.55Å; L166-T170 PolarHBondContact O-OG1 3.33Å
167S87.4Confident83.4Confident7 Ų778.3 Ų78.35%0.04943%0.432CS..Hα-helixtrans-61.3-35.7177.9-1630000112.2H126 A163 L164 Y165 L169 T170 R171H126-S167 PolarHBondContact O-OG 2.81Å; H126-S167 VanDerWaalsContact O-OG 3.11Å; A163-S167 VanDerWaalsContact O-CB 3.3Å; A163-S167 WeakPolarHBondContact O-CB 3.26Å; A163-S167 PolarHBondContact O-N 2.7Å; L164-S167 PolarHBondContact O-N 3.39Å; Y165-S167 VanDerWaalsContact C-N 3.29Å; Y165-S167 PolarHBondContact O-N 3.37Å; S167-L169 VanDerWaalsContact C-N 3.34Å; S167-T170 PolarHBondContact O-N 3.1Å; S167-R171 WeakPolarHBondContact O-CA 3.48Å; S167-R171 WeakPolarHBondContact O-CB 3.13Å; S167-R171 PolarHBondContact O-N 3.01Å
168N87.7Confident81.6Confident94 Ų9483.3 Ų83.350%0.50346%0.457SS..Hα-helixtrans-67.4-34.6174.9-78.1-49.1000112.8L164 Y165 L166 R171L164-N168 PolarHBondContact O-N 3.32Å; L164-N168 VanDerWaalsContact O-N 3.17Å; L164-N168 PolarHBondContact O-ND2 3.24Å; L164-N168 VanDerWaalsContact O-ND2 3.1Å; Y165-N168 PolarHBondContact O-N 3.35Å; Y165-N168 VanDerWaalsContact O-N 3.17Å; L166-N168 VanDerWaalsContact C-N 3.26Å; L166-N168 PolarHBondContact O-N 3.25Å; N168-R171 WeakPolarHBondContact O-CG 2.94Å
169L87.9Confident79.4Confident115 Ų11588 Ų8860%0.60248%0.48SS*.Hα-helixtrans-75.6-29.2177.4-64.5179000113.2Y165 L166 S167Y165-L169 HydrophobicContact CD1-CD1 4.11Å; Y165-L169 HydrophobicContact CE1-CD1 3.49Å; Y165-L169 VanDerWaalsContact CE1-CD1 3.49Å; Y165-L169 HydrophobicContact CE1-CG 4.36Å; Y165-L169 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-L169 VanDerWaalsContact O-N 3.09Å; S167-L169 VanDerWaalsContact C-N 3.34Å
170T85.3Confident77.3Confident52 Ų5290.7 Ų90.732%0.31948%0.484SS..Hα-helixtrans-110.14.7-171.7560000113.3P128 L166 S167 C172P128-T170 WeakPolarHBondContact CA-O 3.42Å; P128-T170 VanDerWaalsContact CG-OG1 3.29Å; P128-T170 WeakPolarHBondContact CG-OG1 3.45Å; L166-T170 HydrophobicContact CD1-CG2 3.84Å; L166-T170 HydrophobicContact CG-CG2 4.27Å; L166-T170 WeakPolarHBondContact O-CB 3.22Å; L166-T170 PolarHBondContact O-N 2.55Å; L166-T170 PolarHBondContact O-OG1 3.33Å; S167-T170 PolarHBondContact O-N 3.1Å; T170-C172 PolarHBondContact O-N 2.74Å
171R82.1Confident75.2Confident100 Ų10086.7 Ų86.738%0.37747%0.468SS..BIsolated β-bridgetrans-56140.317864-174.2-71.4-178.6-4.5110.5H126 S167 N168 T173H126-R171 PolarHBondContact CE1-NH2 2.77Å; H126-R171 PolarHBondContact ND1-NH2 2.87Å; S167-R171 WeakPolarHBondContact O-CA 3.48Å; S167-R171 WeakPolarHBondContact O-CB 3.13Å; S167-R171 PolarHBondContact O-N 3.01Å; N168-R171 WeakPolarHBondContact O-CG 2.94Å; R171-T173 PolarHBondContact O-N 3.35Å
172C81.9Confident73Confident18 Ų1889.8 Ų89.812%0.12249%0.491CS..  trans-60.8140.3169.1-165.20000109.3A122 V123 C127 L129 T170A122-C172 HydrophobicContact CB-CB 3.83Å; V123-C172 HydrophobicContact CG2-CB 4.01Å; V123-C172 WeakPolarHBondContact CG2-O 3.36Å; C127-C172 PolarHBondContact O-N 2.76Å; L129-C172 HydrophobicContact CB-CB 4.19Å; T170-C172 PolarHBondContact O-N 2.74Å
173T77.8Confident71.1Confident101 Ų10194.9 Ų94.962%0.6251%0.506SS*.  trans-117.3142.417053.20000108.1R171R171-T173 PolarHBondContact O-N 3.35Å
174M71.4Confident69.2Low69 Ų69105 Ų10534%0.3456%0.558SS.*PPolyproline II helixtrans-76134.9166.7-72.6-54.885.200107.4R119 Q120 V123R119-M174 HydrophobicContact CB-CE 3.31Å; R119-M174 HydrophobicContact CB-SD 3.99Å; R119-M174 HydrophobicContact CG-CE 3.77Å; Q120-M174 HydrophobicContact CG-SD 4.16Å; V123-M174 HydrophobicContact CB-CE 4.48Å; V123-M174 HydrophobicContact CG2-CE 3.36Å; V123-M174 HydrophobicContact CG2-CG 4.12Å; V123-M174 HydrophobicContact CG2-SD 4.44Å
175P64.9Low68.1Low82 Ų82105.8 Ų105.853%0.53256%0.563SS.*PPolyproline II helixtrans-55.8135.4162.124.2-28.7000107.4D177P175-D177 PolarHBondContact O-N 2.71Å
176P56.2Low66.8Low110 Ų110104.5 Ų104.571%0.71457%0.566SS**PPolyproline II helixtrans-57.4137.5173.724.3-31.6000108.5I178P176-I178 PolarHBondContact O-N 3.21Å
177D55Low65.6Low129 Ų129108.8 Ų108.869%0.6959%0.589SS**  trans-56.8112.6171.4-87-33.3000107.6P175 D179 Q180P175-D177 PolarHBondContact O-N 2.71Å; D177-D179 PolarHBondContact O-N 3.12Å; D177-D179 VanDerWaalsContact O-N 3.09Å; D177-Q180 HydrophobicContact CB-CG 4.46Å; D177-Q180 PolarHBondContact O-N 3.31Å
178I54.3Low64.3Low165 Ų165114.8 Ų114.885%0.84662%0.621SS**THydrogen-bonded Turntrans-64.9-11178.3-63.9174.9000110.8P176P176-I178 PolarHBondContact O-N 3.21Å
179D46.6Very low62.8Low146 Ų146116.1 Ų116.178%0.78163%0.628SS**THydrogen-bonded Turntrans-10313-176.5-65.3-37.1000114.9D177 P181D177-D179 PolarHBondContact O-N 3.12Å; D177-D179 VanDerWaalsContact O-N 3.09Å; D179-P181 WeakPolarHBondContact O-CD 3.15Å
180Q46.9Very low61.2Low159 Ų159116.2 Ų116.274%0.74363%0.63SS**  trans-80.2110.5165.6-81.1-169.9-2600109.6D177 S182D177-Q180 HydrophobicContact CB-CG 4.46Å; D177-Q180 PolarHBondContact O-N 3.31Å; Q180-S182 PolarHBondContact O-N 2.82Å; Q180-S182 VanDerWaalsContact O-N 3.12Å
181P45.6Very low59.5Low89 Ų89120.8 Ų120.858%0.57865%0.652SS**  trans-61.7120.8167.326-31000107.5D179 F183D179-P181 WeakPolarHBondContact O-CD 3.15Å; P181-F183 HydrophobicContact CG-CD2 4.47Å; P181-F183 HydrophobicContact CG-CE2 3.84Å; P181-F183 HydrophobicContact CG-CZ 4.21Å; P181-F183 WeakPolarHBondContact O-CD2 2.83Å; P181-F183 PolarHBondContact O-N 2.74Å
182S46.5Very low57.7Low106 Ų106122.4 Ų122.474%0.74167%0.673SS**  trans-57.7105.6163.850.50000107.4Q180 D184Q180-S182 PolarHBondContact O-N 2.82Å; Q180-S182 VanDerWaalsContact O-N 3.12Å; S182-D184 PolarHBondContact O-N 3.16Å
183F51.4Low55.7Low190 Ų190131.1 Ų131.183%0.83372%0.719SS**  trans-77.7101.1166-73.3-82.2000107.1P181P181-F183 HydrophobicContact CG-CD2 4.47Å; P181-F183 HydrophobicContact CG-CE2 3.84Å; P181-F183 HydrophobicContact CG-CZ 4.21Å; P181-F183 WeakPolarHBondContact O-CD2 2.83Å; P181-F183 PolarHBondContact O-N 2.74Å
184D51.7Low53.7Low227 Ų227133.8 Ų133.8100%1.21473%0.728SS**  trans-770152.1-77.2-33000109.6S182S182-D184 PolarHBondContact O-N 3.16Å

Retrieved 184 of 184 residues in 37.2 ms (Link to these results)

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