G4VR71_SCHMA Loading...

Small ribosomal subunit protein eS19

AlphaFold DB , UniProt , Accession G4VR71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M55.5Low83Confident200 Ų20073.7 Ų73.799%0.98542%0.421SS*.  0135.40-93.7148.6100.800108.9
2A69.4Low83.7Confident81 Ų8179.4 Ų79.467%0.66944%0.441SS*.PPolyproline II helixtrans-60.1147.8173.600000110.4V4A2-V4 PolarHBondContact O-N 2.86Å; A2-V4 VanDerWaalsContact O-N 3.13Å
3P78Confident84.3Confident125 Ų12579.7 Ų79.781%0.81244%0.44SS*.PPolyproline II helixtrans-58.8118.8174.524.3-32.3000109.4
4V84.3Confident85Confident28 Ų2874 Ų7417%0.1741%0.409CS..PPolyproline II helixtrans-77.2125.8178.2179.10000108.6A2 A134 Y135 L138A2-V4 PolarHBondContact O-N 2.86Å; A2-V4 VanDerWaalsContact O-N 3.13Å; V4-A134 HydrophobicContact CG1-CB 4.25Å; V4-Y135 HydrophobicContact CB-CD2 4.38Å; V4-Y135 HydrophobicContact CG2-CD2 4.08Å; V4-L138 HydrophobicContact CG1-CB 4.45Å; V4-L138 HydrophobicContact CG1-CD1 4.02Å; V4-L138 HydrophobicContact CG2-CD1 4.24Å; V4-L138 HydrophobicContact CG2-CD2 4.44Å
5S88Confident85.7Confident26 Ų2671.5 Ų71.518%0.18239%0.394CS..  trans-112.2164177.577.40000111.3K7 D8S5-K7 PolarHBondContact O-N 3.15Å; S5-K7 PolarHBondContact OG-N 3.21Å; S5-D8 WeakPolarHBondContact CA-OD2 3.44Å; S5-D8 WeakPolarHBondContact CB-OD2 3.01Å; S5-D8 PolarHBondContact N-OD2 3.22Å; S5-D8 PolarHBondContact O-N 3.32Å; S5-D8 PolarHBondContact OG-OD2 2.95Å
6V88.3Confident86.2Confident1 Ų175.1 Ų75.11%0.00641%0.405CS..THydrogen-bonded Turntrans-55.7-20.8172.7-177.90000113.1Y14 R62 Y65 L130 D131V6-Y14 HydrophobicContact CG1-CD1 4Å; V6-Y14 HydrophobicContact CG1-CD2 4.48Å; V6-Y14 HydrophobicContact CG1-CE1 3.66Å; V6-Y14 HydrophobicContact CG1-CE2 4.21Å; V6-Y14 HydrophobicContact CG1-CG 4.38Å; V6-Y14 HydrophobicContact CG2-CE1 4.46Å; V6-Y14 HydrophobicContact CG2-CE2 4.23Å; V6-R62 HydrophobicContact CG1-CG 4.09Å; V6-Y65 HydrophobicContact CB-CD1 3.97Å; V6-Y65 HydrophobicContact CB-CD2 4.39Å; V6-Y65 HydrophobicContact CB-CE1 3.86Å; V6-Y65 HydrophobicContact CB-CE2 4.23Å; V6-Y65 HydrophobicContact CB-CG 4.25Å; V6-Y65 HydrophobicContact CG1-CD1 4.48Å; V6-Y65 HydrophobicContact CG2-CD1 4.38Å; V6-Y65 HydrophobicContact CG2-CD2 3.89Å; V6-Y65 HydrophobicContact CG2-CE1 4.24Å; V6-Y65 HydrophobicContact CG2-CE2 3.68Å; V6-Y65 HydrophobicContact CG2-CG 4.23Å; V6-L130 HydrophobicContact CG2-CB 3.79Å; V6-D131 PolarHBondContact N-OD1 2.79Å
7K89.1Confident86.7Confident137 Ų13771.9 Ų71.960%0.59639%0.391SS*.THydrogen-bonded Turntrans-78.5-20.7179.6-63.8-178.7178-178.90113.2S5 Y65S5-K7 PolarHBondContact O-N 3.15Å; S5-K7 PolarHBondContact OG-N 3.21Å; K7-Y65 HydrophobicContact CG-CE1 4.32Å
8D89.4Confident87.1Confident100 Ų10068.1 Ų68.154%0.53537%0.37SS..SBendtrans-87.7-11.1-176.1-52-51.9000112.2S5S5-D8 WeakPolarHBondContact CA-OD2 3.44Å; S5-D8 WeakPolarHBondContact CB-OD2 3.01Å; S5-D8 PolarHBondContact N-OD2 3.22Å; S5-D8 PolarHBondContact O-N 3.32Å; S5-D8 PolarHBondContact OG-OD2 2.95Å
9V89Confident87.4Confident16 Ų1664.9 Ų64.910%0.09736%0.355CS..SBendtrans-101.4142.8179.2-175.70000110.3G11 Y14 A134 I137V9-G11 PolarHBondContact O-N 2.81Å; V9-Y14 HydrophobicContact CB-CD2 4.39Å; V9-Y14 HydrophobicContact CG1-CD2 4.27Å; V9-A134 HydrophobicContact CG2-CB 3.83Å; V9-I137 HydrophobicContact CG1-CB 4.33Å; V9-I137 HydrophobicContact CG1-CD1 4.42Å; V9-I137 HydrophobicContact CG1-CG2 3.77Å
10D91.3Very high87.8Confident84 Ų8467.1 Ų67.145%0.44936%0.362SS..  trans-53.1130172.5175.766.4000111.1H12 L13 Y14D10-H12 VanDerWaalsContact C-N 3.3Å; D10-H12 PolarHBondContact O-N 3.34Å; D10-H12 WeakPolarHBondContact OD2-CA 3.02Å; D10-H12 VanDerWaalsContact OD2-CB 3.29Å; D10-H12 WeakPolarHBondContact OD2-CB 3.48Å; D10-H12 PolarHBondContact OD2-N 2.81Å; D10-L13 HydrophobicContact CB-CB 4.29Å; D10-L13 HydrophobicContact CB-CD1 4.1Å; D10-L13 HydrophobicContact CB-CG 4.24Å; D10-L13 PolarHBondContact O-N 2.85Å; D10-L13 PolarHBondContact OD2-N 3.46Å; D10-Y14 VanDerWaalsContact O-CB 3.26Å; D10-Y14 WeakPolarHBondContact O-CB 3.49Å; D10-Y14 PolarHBondContact O-N 2.93Å
11G90.6Very high88Confident13 Ų1367.8 Ų67.813%0.13436%0.362CS..Hα-helixtrans-65.6-32.7-17300000113.3V9 I15V9-G11 PolarHBondContact O-N 2.81Å; G11-I15 WeakPolarHBondContact O-CD1 3.39Å; G11-I15 VanDerWaalsContact O-CG1 3.22Å; G11-I15 WeakPolarHBondContact O-CG1 3.26Å; G11-I15 PolarHBondContact O-N 2.92Å
12H91.6Very high89.7Confident142 Ų14258.3 Ų58.366%0.65732%0.315SS*.Hα-helixtrans-73.4-48-179-171.971.4000110.9D10 Y14 I15 K16D10-H12 VanDerWaalsContact C-N 3.3Å; D10-H12 PolarHBondContact O-N 3.34Å; D10-H12 WeakPolarHBondContact OD2-CA 3.02Å; D10-H12 VanDerWaalsContact OD2-CB 3.29Å; D10-H12 WeakPolarHBondContact OD2-CB 3.48Å; D10-H12 PolarHBondContact OD2-N 2.81Å; H12-Y14 VanDerWaalsContact C-N 3.34Å; H12-Y14 PolarHBondContact O-N 2.91Å; H12-I15 PolarHBondContact O-N 3.39Å; H12-K16 PolarHBondContact O-N 3.3Å
13L91.8Very high90.8Very high83 Ų8359.1 Ų59.144%0.43530%0.303SS..Hα-helixtrans-60-45175.5-65.8178.7000111.4D10 I15 K16 A17D10-L13 HydrophobicContact CB-CB 4.29Å; D10-L13 HydrophobicContact CB-CD1 4.1Å; D10-L13 HydrophobicContact CB-CG 4.24Å; D10-L13 PolarHBondContact O-N 2.85Å; D10-L13 PolarHBondContact OD2-N 3.46Å; L13-I15 PolarHBondContact O-N 3.02Å; L13-K16 PolarHBondContact O-N 3.17Å; L13-A17 PolarHBondContact O-N 3.23Å
14Y94Very high91.5Very high0 Ų061.8 Ų61.80%030%0.302CS..Hα-helixtrans-59.7-45.9179.5-173.2-94.1000112.9V6 V9 D10 H12 K16 A17 L18 R62 L130 L133 A134 I137V6-Y14 HydrophobicContact CG1-CD1 4Å; V6-Y14 HydrophobicContact CG1-CD2 4.48Å; V6-Y14 HydrophobicContact CG1-CE1 3.66Å; V6-Y14 HydrophobicContact CG1-CE2 4.21Å; V6-Y14 HydrophobicContact CG1-CG 4.38Å; V6-Y14 HydrophobicContact CG2-CE1 4.46Å; V6-Y14 HydrophobicContact CG2-CE2 4.23Å; V9-Y14 HydrophobicContact CB-CD2 4.39Å; V9-Y14 HydrophobicContact CG1-CD2 4.27Å; D10-Y14 VanDerWaalsContact O-CB 3.26Å; D10-Y14 WeakPolarHBondContact O-CB 3.49Å; D10-Y14 PolarHBondContact O-N 2.93Å; H12-Y14 VanDerWaalsContact C-N 3.34Å; H12-Y14 PolarHBondContact O-N 2.91Å; Y14-K16 VanDerWaalsContact C-N 3.3Å; Y14-K16 PolarHBondContact O-N 3.26Å; Y14-A17 PolarHBondContact O-N 2.69Å; Y14-L18 HydrophobicContact CE1-CB 4.42Å; Y14-L18 HydrophobicContact CE1-CD2 3.85Å; Y14-L18 VanDerWaalsContact O-CB 3.3Å; Y14-L18 WeakPolarHBondContact O-CB 3.49Å; Y14-L18 PolarHBondContact O-N 3.11Å; Y14-R62 HydrophobicContact CD1-CG 4.44Å; Y14-L130 HydrophobicContact CE1-CD2 4.48Å; Y14-L130 VanDerWaalsContact OH-C 3.31Å; Y14-L130 WeakPolarHBondContact OH-CA 3.4Å; Y14-L130 WeakPolarHBondContact OH-CB 3.48Å; Y14-L130 WeakPolarHBondContact OH-CD2 3.5Å; Y14-L130 PolarHBondContact OH-O 3.01Å; Y14-L133 HydrophobicContact CE2-CB 4.41Å; Y14-L133 HydrophobicContact CE2-CD2 4.23Å; Y14-L133 HydrophobicContact CE2-CG 4.36Å; Y14-A134 HydrophobicContact CD2-CB 4.38Å; Y14-A134 HydrophobicContact CE2-CB 3.87Å; Y14-I137 HydrophobicContact CD2-CD1 3.59Å; Y14-I137 HydrophobicContact CE2-CD1 4.18Å; Y14-I137 HydrophobicContact CG-CD1 4.39Å
15I95.1Very high91.7Very high37 Ų3762.7 Ų62.719%0.1931%0.308CS..Hα-helixtrans-62.8-39.5179.2-72.3165.6000111G11 H12 L13 A19 V55 A58 A59G11-I15 WeakPolarHBondContact O-CD1 3.39Å; G11-I15 VanDerWaalsContact O-CG1 3.22Å; G11-I15 WeakPolarHBondContact O-CG1 3.26Å; G11-I15 PolarHBondContact O-N 2.92Å; H12-I15 PolarHBondContact O-N 3.39Å; L13-I15 PolarHBondContact O-N 3.02Å; I15-A19 VanDerWaalsContact O-CB 3.31Å; I15-A19 WeakPolarHBondContact O-CB 3.41Å; I15-A19 PolarHBondContact O-N 3.47Å; I15-V55 HydrophobicContact CG2-CG1 3.87Å; I15-A58 HydrophobicContact CG2-CB 4.17Å; I15-A59 HydrophobicContact CD1-CB 4.27Å
16K93.8Very high91.6Very high128 Ų12864.2 Ų64.256%0.55733%0.327SS*.Hα-helixtrans-65.4-47.6178.8-171.3179179.1-177.10111.5H12 L13 Y14 A19 Q20H12-K16 PolarHBondContact O-N 3.3Å; L13-K16 PolarHBondContact O-N 3.17Å; Y14-K16 VanDerWaalsContact C-N 3.3Å; Y14-K16 PolarHBondContact O-N 3.26Å; K16-A19 PolarHBondContact O-N 3.21Å; K16-Q20 WeakPolarHBondContact O-CG 3.39Å; K16-Q20 PolarHBondContact O-N 2.99Å
17A93.8Very high91.6Very high21 Ų2171 Ų7117%0.17436%0.357CS..Hα-helixtrans-62.5-43.7176.700000112.2L13 Y14 A19 Q20 F21 I137L13-A17 PolarHBondContact O-N 3.23Å; Y14-A17 PolarHBondContact O-N 2.69Å; A17-A19 VanDerWaalsContact C-N 3.35Å; A17-A19 PolarHBondContact O-N 3.33Å; A17-Q20 WeakPolarHBondContact O-CB 3.48Å; A17-Q20 PolarHBondContact O-N 3.42Å; A17-F21 PolarHBondContact O-N 3.45Å; A17-I137 HydrophobicContact CB-CD1 3.52Å; A17-I137 HydrophobicContact CB-CG1 3.83Å
18L93.8Very high91.6Very high3 Ų364.8 Ų64.82%0.01633%0.331CS..Hα-helixtrans-65.5-38.1177.6-177.361.5000112.1Y14 Q20 F21 L22 A58 L61 L130 L133Y14-L18 HydrophobicContact CE1-CB 4.42Å; Y14-L18 HydrophobicContact CE1-CD2 3.85Å; Y14-L18 VanDerWaalsContact O-CB 3.3Å; Y14-L18 WeakPolarHBondContact O-CB 3.49Å; Y14-L18 PolarHBondContact O-N 3.11Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-F21 HydrophobicContact CD1-CD1 4.39Å; L18-F21 PolarHBondContact O-N 3.04Å; L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.34Å; L18-A58 HydrophobicContact CB-CB 3.89Å; L18-A58 HydrophobicContact CD2-CB 3.79Å; L18-A58 HydrophobicContact CG-CB 3.76Å; L18-L61 HydrophobicContact CD2-CB 4.11Å; L18-L61 HydrophobicContact CD2-CD1 4.06Å; L18-L130 HydrophobicContact CD1-CD2 3.8Å; L18-L130 HydrophobicContact CD2-CD2 3.62Å; L18-L130 HydrophobicContact CG-CD2 4.4Å; L18-L133 VanDerWaalsContact CA-CD2 3.49Å; L18-L133 HydrophobicContact CB-CD2 3.57Å; L18-L133 HydrophobicContact CD1-CD2 3.51Å; L18-L133 HydrophobicContact CG-CD2 4.11Å
19A94.5Very high91.5Very high9 Ų969.4 Ų69.47%0.07434%0.341CS..Hα-helixtrans-62.7-41.9174.300000111.7I15 K16 A17 L22 K23 V55 A58I15-A19 VanDerWaalsContact O-CB 3.31Å; I15-A19 WeakPolarHBondContact O-CB 3.41Å; I15-A19 PolarHBondContact O-N 3.47Å; K16-A19 PolarHBondContact O-N 3.21Å; A17-A19 VanDerWaalsContact C-N 3.35Å; A17-A19 PolarHBondContact O-N 3.33Å; A19-L22 PolarHBondContact O-N 3.02Å; A19-K23 PolarHBondContact O-N 3.04Å; A19-V55 HydrophobicContact CB-CG2 3.92Å; A19-A58 HydrophobicContact CB-CB 4.23Å
20Q93.8Very high91.6Very high107 Ų10772.2 Ų72.250%0.536%0.355SS..Hα-helixtrans-64.5-41.2174.8-71.5176.1-19.700112K16 A17 L18 K23 K24K16-Q20 WeakPolarHBondContact O-CG 3.39Å; K16-Q20 PolarHBondContact O-N 2.99Å; A17-Q20 WeakPolarHBondContact O-CB 3.48Å; A17-Q20 PolarHBondContact O-N 3.42Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-K23 PolarHBondContact O-N 3.26Å; Q20-K24 WeakPolarHBondContact O-CG 3.37Å; Q20-K24 PolarHBondContact O-N 3.36Å
21F92.3Very high91.6Very high82 Ų8269.1 Ų69.136%0.3634%0.339SS..Hα-helixtrans-61-45.4175.5176.7-98.3000112.1A17 L18 K23 K24 T25 L133A17-F21 PolarHBondContact O-N 3.45Å; L18-F21 HydrophobicContact CD1-CD1 4.39Å; L18-F21 PolarHBondContact O-N 3.04Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.42Å; F21-K24 PolarHBondContact O-N 3.43Å; F21-T25 WeakPolarHBondContact O-CB 3.33Å; F21-T25 PolarHBondContact O-N 3.3Å; F21-T25 PolarHBondContact O-OG1 3.16Å; F21-L133 HydrophobicContact CB-CD1 4.48Å
22L92Very high91.6Very high1 Ų176.3 Ų76.31%0.00537%0.374CS..Hα-helixtrans-62.5-38.4176.8-71.9174.4000112L18 A19 T25 G26 V28 Y54 C57 A58 L61 M106 L109 M111L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.34Å; A19-L22 PolarHBondContact O-N 3.02Å; L22-T25 PolarHBondContact O-N 2.93Å; L22-G26 PolarHBondContact O-N 2.99Å; L22-V28 HydrophobicContact CB-CG2 4.3Å; L22-V28 HydrophobicContact CD2-CG2 4.25Å; L22-Y54 HydrophobicContact CB-CD1 4.03Å; L22-C57 HydrophobicContact CD1-CB 3.89Å; L22-A58 HydrophobicContact CD1-CB 4.46Å; L22-L61 HydrophobicContact CD1-CD1 4.35Å; L22-M106 HydrophobicContact CD1-SD 4.49Å; L22-L109 HydrophobicContact CD2-CD1 4.27Å; L22-M111 HydrophobicContact CD2-CE 4.1Å; L22-M111 HydrophobicContact CD2-SD 4.42Å
23K92.3Very high91.6Very high98 Ų9872.8 Ų72.843%0.42636%0.355SS..Hα-helixtrans-64.7-47.5175.1-177.2168.4177.1160.20111.8A19 Q20 F21 T25 G26 D51 Y54A19-K23 PolarHBondContact O-N 3.04Å; Q20-K23 PolarHBondContact O-N 3.26Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.42Å; K23-T25 PolarHBondContact O-N 2.87Å; K23-G26 PolarHBondContact O-N 3.29Å; K23-G26 VanDerWaalsContact O-N 3.17Å; K23-D51 IonicContact NZ-OD1 2.67Å; K23-D51 PolarHBondContact NZ-OD1 3.4Å; K23-D51 IonicContact NZ-OD2 2.78Å; K23-D51 PolarHBondContact NZ-OD2 2.92Å; K23-Y54 HydrophobicContact CB-CD1 4.26Å; K23-Y54 HydrophobicContact CB-CE1 4.12Å; K23-Y54 HydrophobicContact CB-CE2 4.39Å; K23-Y54 HydrophobicContact CB-CG 4.41Å; K23-Y54 HydrophobicContact CD-CE2 4.4Å; K23-Y54 HydrophobicContact CG-CE2 4.28Å
24K92Very high91.5Very high182 Ų18269.2 Ų69.279%0.79134%0.337SS*.Hα-helixtrans-61.1-33.9176.5-72.6178.8-178.9-177.60112.8Q20 F21 G26Q20-K24 WeakPolarHBondContact O-CG 3.37Å; Q20-K24 PolarHBondContact O-N 3.36Å; F21-K24 PolarHBondContact O-N 3.43Å; K24-G26 VanDerWaalsContact C-N 3.25Å; K24-G26 PolarHBondContact O-N 3.45Å
25T88.7Confident91.3Very high47 Ų4775.5 Ų75.529%0.28837%0.371SS..Hα-helixtrans-68-26.2179.7-59.30000112.1F21 L22 K23 K27F21-T25 WeakPolarHBondContact O-CB 3.33Å; F21-T25 PolarHBondContact O-N 3.3Å; F21-T25 PolarHBondContact O-OG1 3.16Å; L22-T25 PolarHBondContact O-N 2.93Å; K23-T25 PolarHBondContact O-N 2.87Å; T25-K27 HydrophobicContact CG2-CB 4.04Å; T25-K27 HydrophobicContact CG2-CD 3.64Å; T25-K27 HydrophobicContact CG2-CG 3.72Å; T25-K27 PolarHBondContact O-N 2.95Å
26G87Confident91.1Very high57 Ų5779.7 Ų79.759%0.58840%0.397SS*.  trans65.3-1175.700000115.9L22 K23 K24L22-G26 PolarHBondContact O-N 2.99Å; K23-G26 PolarHBondContact O-N 3.29Å; K23-G26 VanDerWaalsContact O-N 3.17Å; K24-G26 VanDerWaalsContact C-N 3.25Å; K24-G26 PolarHBondContact O-N 3.45Å
27K88.1Confident91Very high144 Ų14475 Ų7563%0.62638%0.38SS*.  trans-82.4-15.5-177.9-63.9176.3-174.1-179.90113.6T25 R29 L109T25-K27 HydrophobicContact CG2-CB 4.04Å; T25-K27 HydrophobicContact CG2-CD 3.64Å; T25-K27 HydrophobicContact CG2-CG 3.72Å; T25-K27 PolarHBondContact O-N 2.95Å; K27-R29 PolarHBondContact O-N 3.05Å; K27-L109 HydrophobicContact CB-CD2 3.33Å; K27-L109 HydrophobicContact CD-CD2 4Å; K27-L109 HydrophobicContact CG-CD2 4.29Å
28V87.9Confident91Very high7 Ų778.5 Ų78.54%0.04239%0.391CS..SBendtrans-80.5114.9177.2-1790000108.7L22 L30 F53 Y54 M106 L109L22-V28 HydrophobicContact CB-CG2 4.3Å; L22-V28 HydrophobicContact CD2-CG2 4.25Å; V28-L30 PolarHBondContact O-N 3.26Å; V28-F53 HydrophobicContact CG1-CD1 4.15Å; V28-F53 HydrophobicContact CG1-CE1 3.86Å; V28-Y54 HydrophobicContact CB-CD1 4.37Å; V28-Y54 HydrophobicContact CB-CE1 3.86Å; V28-Y54 HydrophobicContact CG1-CD1 4.42Å; V28-Y54 HydrophobicContact CG1-CE1 4.17Å; V28-Y54 HydrophobicContact CG2-CE1 4.4Å; V28-M106 HydrophobicContact CG2-CE 3.88Å; V28-L109 HydrophobicContact CG2-CD1 3.93Å
29R88.3Confident91Very high197 Ų19780.2 Ų80.274%0.74340%0.4SS*.PPolyproline II helixtrans-77.9121.4173.2-61.7-176.1-177.4-176.20.2109.2K27 P31K27-R29 PolarHBondContact O-N 3.05Å; R29-P31 WeakPolarHBondContact O-CD 3.47Å
30L90.3Very high90.9Very high75 Ų7580 Ų8039%0.39340%0.398SS..PPolyproline II helixtrans-68.1129.8170.8-83.877.1000109.1V28 T34 Y54V28-L30 PolarHBondContact O-N 3.26Å; L30-T34 HydrophobicContact CB-CG2 4.47Å; L30-Y54 HydrophobicContact CD1-CE1 4.41Å; L30-Y54 HydrophobicContact CD1-CE2 3.75Å; L30-Y54 VanDerWaalsContact CD1-CZ 3.49Å; L30-Y54 WeakPolarHBondContact CD1-OH 3.15Å; L30-Y54 HydrophobicContact CG-CE2 4.45Å
31P91.1Very high90.8Very high18 Ų1877.8 Ų77.812%0.11739%0.394CS..PPolyproline II helixtrans-65.6144.4169.4-20.431.4000112.2R29 W33 T34 F53R29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-W33 HydrophobicContact CB-CD2 3.98Å; P31-W33 HydrophobicContact CB-CG 4.34Å; P31-W33 HydrophobicContact CB-CH2 4.3Å; P31-W33 HydrophobicContact CB-CZ2 3.57Å; P31-W33 HydrophobicContact CG-CH2 4.2Å; P31-W33 HydrophobicContact CG-CZ2 3.7Å; P31-W33 PolarHBondContact O-N 3.19Å; P31-T34 HydrophobicContact CB-CG2 4.28Å; P31-T34 HydrophobicContact CG-CG2 4.3Å; P31-T34 WeakPolarHBondContact O-CG2 3.46Å; P31-T34 PolarHBondContact O-N 3.37Å; P31-T34 VanDerWaalsContact O-N 3.08Å; P31-T34 PolarHBondContact O-OG1 2.96Å; P31-F53 HydrophobicContact CG-CD2 4.34Å; P31-F53 HydrophobicContact CG-CE1 4.25Å; P31-F53 HydrophobicContact CG-CE2 3.74Å; P31-F53 HydrophobicContact CG-CZ 3.69Å
32D91.2Very high90.8Very high165 Ų16574.4 Ų74.488%0.88238%0.382SS*.THydrogen-bonded Turntrans-59.1-24.3-177-45.5-37.6000114.2
33W92.1Very high90.8Very high68 Ų6876.6 Ų76.626%0.25839%0.393SS..THydrogen-bonded Turntrans-89.94.6-177.351.6-100.7000113.8P31 D35 V36 V37 W52 F53 V98 K101P31-W33 HydrophobicContact CB-CD2 3.98Å; P31-W33 HydrophobicContact CB-CG 4.34Å; P31-W33 HydrophobicContact CB-CH2 4.3Å; P31-W33 HydrophobicContact CB-CZ2 3.57Å; P31-W33 HydrophobicContact CG-CH2 4.2Å; P31-W33 HydrophobicContact CG-CZ2 3.7Å; P31-W33 PolarHBondContact O-N 3.19Å; W33-D35 PolarHBondContact O-N 3.08Å; W33-V36 HydrophobicContact CB-CG2 4.22Å; W33-V36 WeakPolarHBondContact O-CG2 3.14Å; W33-V36 PolarHBondContact O-N 3.33Å; W33-V37 HydrophobicContact CB-CG2 4.07Å; W33-V37 HydrophobicContact CD2-CG2 4.13Å; W33-V37 HydrophobicContact CE3-CB 3.7Å; W33-V37 HydrophobicContact CE3-CG1 4.02Å; W33-V37 HydrophobicContact CE3-CG2 3.45Å; W33-V37 VanDerWaalsContact CE3-CG2 3.45Å; W33-V37 HydrophobicContact CG-CG2 4.4Å; W33-V37 HydrophobicContact CZ3-CB 4.1Å; W33-V37 HydrophobicContact CZ3-CG1 3.98Å; W33-V37 HydrophobicContact CZ3-CG2 4.24Å; W33-V37 VanDerWaalsContact O-CG2 3.3Å; W33-V37 WeakPolarHBondContact O-CG2 3.27Å; W33-V37 PolarHBondContact O-N 2.87Å; W33-W52 HydrophobicContact CH2-CH2 4.28Å; W33-W52 AromaticContact CZ3-CH2 3.74Å; W33-W52 HydrophobicContact CZ3-CH2 3.74Å; W33-W52 HydrophobicContact CZ3-CZ2 4.11Å; W33-F53 HydrophobicContact CH2-CE2 4.35Å; W33-V98 HydrophobicContact CH2-CB 4.11Å; W33-V98 HydrophobicContact CH2-CG1 4.14Å; W33-V98 HydrophobicContact CH2-CG2 3.78Å; W33-V98 HydrophobicContact CZ3-CG1 4.49Å; W33-V98 HydrophobicContact CZ3-CG2 3.77Å; W33-K101 HydrophobicContact CZ2-CB 4.11Å; W33-K101 HydrophobicContact CZ2-CG 4.01Å
34T90Very high90.8Very high8 Ų879.4 Ų79.45%0.04941%0.408CS..THydrogen-bonded Turntrans-55.3-29.3-173.444.30000114.2L30 P31 W52 F53L30-T34 HydrophobicContact CB-CG2 4.47Å; P31-T34 HydrophobicContact CB-CG2 4.28Å; P31-T34 HydrophobicContact CG-CG2 4.3Å; P31-T34 WeakPolarHBondContact O-CG2 3.46Å; P31-T34 PolarHBondContact O-N 3.37Å; P31-T34 VanDerWaalsContact O-N 3.08Å; P31-T34 PolarHBondContact O-OG1 2.96Å; T34-W52 HydrophobicContact CG2-CZ2 4.18Å; T34-W52 WeakPolarHBondContact O-CZ2 3.42Å; T34-W52 PolarHBondContact O-NE1 3.41Å; T34-F53 HydrophobicContact CG2-CB 4.19Å; T34-F53 HydrophobicContact CG2-CD2 4.34Å; T34-F53 HydrophobicContact CG2-CG 4.28Å
35D89.1Confident90.8Very high132 Ų13275.8 Ų75.871%0.70640%0.397SS*.THydrogen-bonded Turntrans-90.2-17.5-169.3-55.1-14000112.4W33W33-D35 PolarHBondContact O-N 3.08Å
36V90.6Very high90.8Very high124 Ų12475.9 Ų75.975%0.75240%0.402SS*.THydrogen-bonded Turntrans-108-2.1-175.5-62.50000113.6W33W33-V36 HydrophobicContact CB-CG2 4.22Å; W33-V36 WeakPolarHBondContact O-CG2 3.14Å; W33-V36 PolarHBondContact O-N 3.33Å
37V92.2Very high91Very high30 Ų3074.9 Ų74.918%0.18239%0.385CS..  trans-104.6138.2-169.21700000113.6W33 P47 V98W33-V37 HydrophobicContact CB-CG2 4.07Å; W33-V37 HydrophobicContact CD2-CG2 4.13Å; W33-V37 HydrophobicContact CE3-CB 3.7Å; W33-V37 HydrophobicContact CE3-CG1 4.02Å; W33-V37 HydrophobicContact CE3-CG2 3.45Å; W33-V37 VanDerWaalsContact CE3-CG2 3.45Å; W33-V37 HydrophobicContact CG-CG2 4.4Å; W33-V37 HydrophobicContact CZ3-CB 4.1Å; W33-V37 HydrophobicContact CZ3-CG1 3.98Å; W33-V37 HydrophobicContact CZ3-CG2 4.24Å; W33-V37 VanDerWaalsContact O-CG2 3.3Å; W33-V37 WeakPolarHBondContact O-CG2 3.27Å; W33-V37 PolarHBondContact O-N 2.87Å; V37-P47 WeakPolarHBondContact O-CD 3.27Å; V37-V98 HydrophobicContact CG1-CG2 3.98Å
38K92.6Very high91.2Very high95 Ų9577.9 Ų77.941%0.41339%0.394SS..  trans-87.6146.9164-61.1179-173.4-177.40110.3S40 Q44 H95K38-S40 PolarHBondContact O-N 3.35Å; K38-Q44 WeakPolarHBondContact CE-O 3.46Å; K38-Q44 PolarHBondContact NZ-O 3.4Å; K38-H95 PolarHBondContact O-CE1 3.49Å; K38-H95 VanDerWaalsContact O-CE1 3.24Å; K38-H95 PolarHBondContact O-ND1 3.36Å
39L93.9Very high91.3Very high38 Ų3880.9 Ų80.920%0.19941%0.41CS..SBendtrans-73.2-24179.5-69.4173.4000114.6P47 W52 H95 V98L39-P47 HydrophobicContact CD1-CG 3.91Å; L39-P47 HydrophobicContact CG-CG 3.79Å; L39-W52 HydrophobicContact CD2-CD2 4.38Å; L39-W52 HydrophobicContact CD2-CE3 3.53Å; L39-W52 HydrophobicContact CD2-CH2 4.04Å; L39-W52 HydrophobicContact CD2-CZ3 3.36Å; L39-W52 HydrophobicContact CG-CE3 4.41Å; L39-H95 PolarHBondContact O-N 2.76Å; L39-V98 HydrophobicContact CD2-CG1 4.01Å
40S93.6Very high91.3Very high4 Ų476.3 Ų76.33%0.02841%0.406CS..BIsolated β-bridgetrans-158.1153.7178.7177.60000109.4K38 A42 N43 L93K38-S40 PolarHBondContact O-N 3.35Å; S40-A42 PolarHBondContact O-N 3.5Å; S40-A42 PolarHBondContact OG-N 2.99Å; S40-N43 WeakPolarHBondContact O-CB 3.41Å; S40-N43 PolarHBondContact O-N 3.04Å; S40-L93 PolarHBondContact OG-O 3.39Å
41S91.6Very high91.4Very high61 Ų6175.1 Ų75.143%0.42740%0.4SS..THydrogen-bonded Turntrans-67.8-7.7172.168.10000113.9K82 S92 H95S41-K82 WeakPolarHBondContact O-CE 3.35Å; S41-S92 PolarHBondContact OG-OG 2.67Å; S41-H95 PolarHBondContact N-NE2 3.4Å
42A92.9Very high91.5Very high12 Ų1275 Ų7510%0.09940%0.397CS..THydrogen-bonded Turntrans-77.5-19.6168.800000113.6S40 R80 K82S40-A42 PolarHBondContact O-N 3.5Å; S40-A42 PolarHBondContact OG-N 2.99Å; A42-R80 HydrophobicContact CB-CB 4.17Å; A42-K82 HydrophobicContact CB-CB 3.86Å; A42-K82 HydrophobicContact CB-CG 4.34Å
43N91.7Very high91.7Very high46 Ų4667.3 Ų67.325%0.24636%0.356CS..  trans-83.1131.7-176.9-67.2-7.3000110.1S40S40-N43 WeakPolarHBondContact O-CB 3.41Å; S40-N43 PolarHBondContact O-N 3.04Å
44Q91.1Very high91.9Very high157 Ų15765.1 Ų65.173%0.73435%0.347SS*.SBendtrans-73.1-44.5174.9-68.4178.5-9.500110.7K38K38-Q44 WeakPolarHBondContact CE-O 3.46Å; K38-Q44 PolarHBondContact NZ-O 3.4Å
45L91.6Very high92.1Very high107 Ų10766.8 Ų66.856%0.5636%0.358SS*.SBendtrans-111.4165.6-177-59.7176.9000112.4Y48L45-Y48 HydrophobicContact CD1-CE1 4.31Å
46A90.2Very high92.4Very high49 Ų4962.8 Ų62.841%0.40533%0.333SS..  trans-67.2163.3168.800000110.9Y48A46-Y48 PolarHBondContact O-N 3.09Å
47P91.7Very high92.6Very high35 Ų3556.9 Ų56.923%0.22730%0.297CS..  trans-59132.2174.9-22.935.9000111.6V37 L39 N49 W52V37-P47 WeakPolarHBondContact O-CD 3.27Å; L39-P47 HydrophobicContact CD1-CG 3.91Å; L39-P47 HydrophobicContact CG-CG 3.79Å; P47-N49 VanDerWaalsContact C-N 3.31Å; P47-N49 PolarHBondContact O-N 3.32Å; P47-W52 HydrophobicContact CB-CB 3.64Å; P47-W52 HydrophobicContact CB-CD2 4.28Å; P47-W52 HydrophobicContact CB-CG 3.56Å; P47-W52 HydrophobicContact CG-CB 4.26Å; P47-W52 HydrophobicContact CG-CD2 3.94Å; P47-W52 HydrophobicContact CG-CG 3.75Å
48Y91.1Very high92.7Very high207 Ų20755.5 Ų55.581%0.81229%0.288SS*.SBendtrans-67.2-29.6179.7-62.5-72.7000114L45 A46L45-Y48 HydrophobicContact CD1-CE1 4.31Å; A46-Y48 PolarHBondContact O-N 3.09Å
49N90.3Very high92.9Very high71 Ų7151.4 Ų51.438%0.3827%0.272SS..  trans-86.3123-179.6-176.8-9.1000109.4P47 D51 W52P47-N49 VanDerWaalsContact C-N 3.31Å; P47-N49 PolarHBondContact O-N 3.32Å; N49-D51 PolarHBondContact O-N 3.39Å; N49-D51 WeakPolarHBondContact OD1-CB 3.3Å; N49-D51 PolarHBondContact OD1-N 3.38Å; N49-W52 WeakPolarHBondContact O-CB 3.46Å; N49-W52 VanDerWaalsContact O-CD1 3.23Å; N49-W52 PolarHBondContact O-N 2.8Å; N49-W52 VanDerWaalsContact O-N 3.11Å
50P89Confident92.9Very high101 Ų10149.6 Ų49.666%0.65626%0.263SS*.THydrogen-bonded Turntrans-61.4-32.5175.625.5-34.7000112.3W52P50-W52 PolarHBondContact O-N 2.88Å
51D91.1Very high93Very high49 Ų4949.4 Ų49.426%0.26226%0.262SS..THydrogen-bonded Turntrans-85.221.6177.7-64.6-47.1000112.8K23 N49 F53 Y54 V55K23-D51 IonicContact NZ-OD1 2.67Å; K23-D51 PolarHBondContact NZ-OD1 3.4Å; K23-D51 IonicContact NZ-OD2 2.78Å; K23-D51 PolarHBondContact NZ-OD2 2.92Å; N49-D51 PolarHBondContact O-N 3.39Å; N49-D51 WeakPolarHBondContact OD1-CB 3.3Å; N49-D51 PolarHBondContact OD1-N 3.38Å; D51-F53 PolarHBondContact O-N 2.97Å; D51-F53 VanDerWaalsContact O-N 3.07Å; D51-Y54 HydrophobicContact CB-CD2 3.95Å; D51-Y54 PolarHBondContact O-N 2.83Å; D51-Y54 VanDerWaalsContact O-N 3.12Å; D51-V55 PolarHBondContact O-N 3.27Å
52W94.5Very high93.1Very high17 Ų1749.7 Ų49.76%0.06425%0.253CS..Hα-helixtrans-57.3-29.1-175.267.5-96.1000112.8W33 T34 L39 P47 N49 P50 V55 R56 V98W33-W52 HydrophobicContact CH2-CH2 4.28Å; W33-W52 AromaticContact CZ3-CH2 3.74Å; W33-W52 HydrophobicContact CZ3-CH2 3.74Å; W33-W52 HydrophobicContact CZ3-CZ2 4.11Å; T34-W52 HydrophobicContact CG2-CZ2 4.18Å; T34-W52 WeakPolarHBondContact O-CZ2 3.42Å; T34-W52 PolarHBondContact O-NE1 3.41Å; L39-W52 HydrophobicContact CD2-CD2 4.38Å; L39-W52 HydrophobicContact CD2-CE3 3.53Å; L39-W52 HydrophobicContact CD2-CH2 4.04Å; L39-W52 HydrophobicContact CD2-CZ3 3.36Å; L39-W52 HydrophobicContact CG-CE3 4.41Å; P47-W52 HydrophobicContact CB-CB 3.64Å; P47-W52 HydrophobicContact CB-CD2 4.28Å; P47-W52 HydrophobicContact CB-CG 3.56Å; P47-W52 HydrophobicContact CG-CB 4.26Å; P47-W52 HydrophobicContact CG-CD2 3.94Å; P47-W52 HydrophobicContact CG-CG 3.75Å; N49-W52 WeakPolarHBondContact O-CB 3.46Å; N49-W52 VanDerWaalsContact O-CD1 3.23Å; N49-W52 PolarHBondContact O-N 2.8Å; N49-W52 VanDerWaalsContact O-N 3.11Å; P50-W52 PolarHBondContact O-N 2.88Å; W52-V55 WeakPolarHBondContact O-CB 3.49Å; W52-V55 PolarHBondContact O-N 3.44Å; W52-R56 HydrophobicContact CE3-CB 4.33Å; W52-R56 HydrophobicContact CZ3-CB 4.38Å; W52-R56 WeakPolarHBondContact O-CB 3.48Å; W52-R56 PolarHBondContact O-N 3.36Å; W52-V98 HydrophobicContact CH2-CG1 3.72Å; W52-V98 HydrophobicContact CZ3-CG1 3.55Å
53F95Very high93.2Very high2 Ų251.4 Ų51.41%0.00926%0.259CS..Hα-helixtrans-65.5-40.1-179.3-171-101.5000111.7V28 P31 W33 T34 D51 R56 C57 A102V28-F53 HydrophobicContact CG1-CD1 4.15Å; V28-F53 HydrophobicContact CG1-CE1 3.86Å; P31-F53 HydrophobicContact CG-CD2 4.34Å; P31-F53 HydrophobicContact CG-CE1 4.25Å; P31-F53 HydrophobicContact CG-CE2 3.74Å; P31-F53 HydrophobicContact CG-CZ 3.69Å; W33-F53 HydrophobicContact CH2-CE2 4.35Å; T34-F53 HydrophobicContact CG2-CB 4.19Å; T34-F53 HydrophobicContact CG2-CD2 4.34Å; T34-F53 HydrophobicContact CG2-CG 4.28Å; D51-F53 PolarHBondContact O-N 2.97Å; D51-F53 VanDerWaalsContact O-N 3.07Å; F53-R56 WeakPolarHBondContact O-CB 3.49Å; F53-R56 PolarHBondContact O-N 3.24Å; F53-C57 PolarHBondContact O-N 2.85Å; F53-C57 PolarHBondContact O-SG 3.31Å; F53-A102 HydrophobicContact CE2-CB 4.39Å; F53-A102 HydrophobicContact CZ-CB 4.3Å
54Y95.1Very high93.3Very high22 Ų2249.4 Ų49.49%0.08625%0.249CC..Hα-helixtrans-63.9-43.7173.8-64.9-76.5000111.6L22 K23 V28 L30 D51 R56 C57 A58L22-Y54 HydrophobicContact CB-CD1 4.03Å; K23-Y54 HydrophobicContact CB-CD1 4.26Å; K23-Y54 HydrophobicContact CB-CE1 4.12Å; K23-Y54 HydrophobicContact CB-CE2 4.39Å; K23-Y54 HydrophobicContact CB-CG 4.41Å; K23-Y54 HydrophobicContact CD-CE2 4.4Å; K23-Y54 HydrophobicContact CG-CE2 4.28Å; V28-Y54 HydrophobicContact CB-CD1 4.37Å; V28-Y54 HydrophobicContact CB-CE1 3.86Å; V28-Y54 HydrophobicContact CG1-CD1 4.42Å; V28-Y54 HydrophobicContact CG1-CE1 4.17Å; V28-Y54 HydrophobicContact CG2-CE1 4.4Å; L30-Y54 HydrophobicContact CD1-CE1 4.41Å; L30-Y54 HydrophobicContact CD1-CE2 3.75Å; L30-Y54 VanDerWaalsContact CD1-CZ 3.49Å; L30-Y54 WeakPolarHBondContact CD1-OH 3.15Å; L30-Y54 HydrophobicContact CG-CE2 4.45Å; D51-Y54 HydrophobicContact CB-CD2 3.95Å; D51-Y54 PolarHBondContact O-N 2.83Å; D51-Y54 VanDerWaalsContact O-N 3.12Å; Y54-R56 PolarHBondContact O-N 3.28Å; Y54-C57 PolarHBondContact O-N 2.72Å; Y54-A58 WeakPolarHBondContact O-CB 3.38Å; Y54-A58 PolarHBondContact O-N 2.95Å
55V95.2Very high93.3Very high44 Ų4442.5 Ų42.527%0.26722%0.216SC..Hα-helixtrans-60.3-37.6174.21790000110.7I15 A19 D51 W52 A59I15-V55 HydrophobicContact CG2-CG1 3.87Å; A19-V55 HydrophobicContact CB-CG2 3.92Å; D51-V55 PolarHBondContact O-N 3.27Å; W52-V55 WeakPolarHBondContact O-CB 3.49Å; W52-V55 PolarHBondContact O-N 3.44Å; V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 2.93Å
56R95Very high93.4Very high48 Ų4841.6 Ų41.618%0.18121%0.211CC..Hα-helixtrans-67.7-43.1178-171.776.5-61.4155.618.5111.7W52 F53 Y54 A59 I60 F78 V98W52-R56 HydrophobicContact CE3-CB 4.33Å; W52-R56 HydrophobicContact CZ3-CB 4.38Å; W52-R56 WeakPolarHBondContact O-CB 3.48Å; W52-R56 PolarHBondContact O-N 3.36Å; F53-R56 WeakPolarHBondContact O-CB 3.49Å; F53-R56 PolarHBondContact O-N 3.24Å; Y54-R56 PolarHBondContact O-N 3.28Å; R56-A59 PolarHBondContact O-N 3.31Å; R56-I60 HydrophobicContact CG-CD1 4.11Å; R56-I60 WeakPolarHBondContact O-CD1 3.41Å; R56-I60 VanDerWaalsContact O-CG1 3.3Å; R56-I60 WeakPolarHBondContact O-CG1 3.47Å; R56-I60 PolarHBondContact O-N 3.26Å; R56-F78 VanDerWaalsContact CZ-CD1 3.46Å; R56-F78 VanDerWaalsContact NH1-CD1 3.27Å; R56-V98 HydrophobicContact CG-CG1 4.39Å
57C95.1Very high93.4Very high0 Ų047.4 Ų47.40%022%0.222CC..Hα-helixtrans-60.3-48.7174.5-64.70000111.4L22 F53 Y54 A59 I60 L61 M106L22-C57 HydrophobicContact CD1-CB 3.89Å; F53-C57 PolarHBondContact O-N 2.85Å; F53-C57 PolarHBondContact O-SG 3.31Å; Y54-C57 PolarHBondContact O-N 2.72Å; C57-A59 PolarHBondContact O-N 3.12Å; C57-I60 PolarHBondContact O-N 2.85Å; C57-I60 VanDerWaalsContact O-N 3.14Å; C57-L61 PolarHBondContact O-N 3.38Å; C57-M106 HydrophobicContact CB-CE 3.85Å; C57-M106 HydrophobicContact CB-SD 4.02Å
58A95.2Very high93.4Very high0 Ų049 Ų490%023%0.232CC..Hα-helixtrans-57.9-44.9177.400000112.6I15 L18 A19 L22 Y54 I60 L61 R62I15-A58 HydrophobicContact CG2-CB 4.17Å; L18-A58 HydrophobicContact CB-CB 3.89Å; L18-A58 HydrophobicContact CD2-CB 3.79Å; L18-A58 HydrophobicContact CG-CB 3.76Å; A19-A58 HydrophobicContact CB-CB 4.23Å; L22-A58 HydrophobicContact CD1-CB 4.46Å; Y54-A58 WeakPolarHBondContact O-CB 3.38Å; Y54-A58 PolarHBondContact O-N 2.95Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 2.97Å; A58-L61 PolarHBondContact O-N 3.38Å; A58-R62 PolarHBondContact O-N 2.88Å
59A95Very high93.5Very high9 Ų939.9 Ų39.97%0.07420%0.198CC..Hα-helixtrans-64.4-36.6177.100000112.8I15 V55 R56 C57 H63 F78I15-A59 HydrophobicContact CD1-CB 4.27Å; V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 2.93Å; R56-A59 PolarHBondContact O-N 3.31Å; C57-A59 PolarHBondContact O-N 3.12Å; A59-H63 WeakPolarHBondContact O-CB 3.33Å; A59-H63 PolarHBondContact O-N 3.02Å; A59-F78 HydrophobicContact CB-CE1 4.13Å; A59-F78 HydrophobicContact CB-CZ 4.14Å
60I95.2Very high93.5Very high1 Ų137.5 Ų37.51%0.00519%0.191CC..Hα-helixtrans-66.1-46175.6-71.4163.2000110.3R56 C57 A58 R62 H63 L64 L74 F78 I99 A102 I103R56-I60 HydrophobicContact CG-CD1 4.11Å; R56-I60 WeakPolarHBondContact O-CD1 3.41Å; R56-I60 VanDerWaalsContact O-CG1 3.3Å; R56-I60 WeakPolarHBondContact O-CG1 3.47Å; R56-I60 PolarHBondContact O-N 3.26Å; C57-I60 PolarHBondContact O-N 2.85Å; C57-I60 VanDerWaalsContact O-N 3.14Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 2.97Å; I60-R62 PolarHBondContact O-N 3.43Å; I60-H63 PolarHBondContact O-N 2.78Å; I60-L64 HydrophobicContact CG2-CD1 3.9Å; I60-L64 HydrophobicContact CG2-CG 4.26Å; I60-L64 WeakPolarHBondContact O-CG 3.34Å; I60-L64 PolarHBondContact O-N 3.45Å; I60-L74 HydrophobicContact CG2-CD1 4.09Å; I60-F78 HydrophobicContact CG1-CE2 3.72Å; I60-F78 HydrophobicContact CG1-CZ 4.01Å; I60-I99 HydrophobicContact CD1-CG2 4.12Å; I60-A102 HydrophobicContact CD1-CB 3.56Å; I60-I103 HydrophobicContact CG2-CG1 4.24Å
61L94.6Very high93.7Very high0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-58.4-47.3177.3-72.9173.3000111.9L18 L22 C57 A58 H63 L64 Y65 M106 M111 C112 L122 L130L18-L61 HydrophobicContact CD2-CB 4.11Å; L18-L61 HydrophobicContact CD2-CD1 4.06Å; L22-L61 HydrophobicContact CD1-CD1 4.35Å; C57-L61 PolarHBondContact O-N 3.38Å; A58-L61 PolarHBondContact O-N 3.38Å; L61-H63 VanDerWaalsContact C-N 3.33Å; L61-H63 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.45Å; L61-Y65 PolarHBondContact O-N 3.43Å; L61-M106 HydrophobicContact CD1-SD 3.65Å; L61-M106 HydrophobicContact CD2-CB 4.25Å; L61-M106 HydrophobicContact CD2-CG 4.07Å; L61-M106 HydrophobicContact CD2-SD 4.14Å; L61-M106 HydrophobicContact CG-CG 4.19Å; L61-M106 HydrophobicContact CG-SD 3.95Å; L61-M111 HydrophobicContact CD1-SD 3.65Å; L61-M111 HydrophobicContact CD2-CB 3.9Å; L61-M111 HydrophobicContact CD2-SD 4.2Å; L61-C112 VanDerWaalsContact CD2-SG 3.59Å; L61-L122 HydrophobicContact CD2-CD1 3.92Å; L61-L130 HydrophobicContact CB-CD1 4.28Å; L61-L130 HydrophobicContact CB-CD2 4.34Å; L61-L130 HydrophobicContact CD1-CD2 4.43Å
62R94.5Very high93.8Very high67 Ų6736.9 Ų36.925%0.25319%0.186SC..Hα-helixtrans-60.8-41.7175.2-175.6177.8-179.9-87.11.2111.9V6 Y14 A58 I60 Y65 I66V6-R62 HydrophobicContact CG1-CG 4.09Å; Y14-R62 HydrophobicContact CD1-CG 4.44Å; A58-R62 PolarHBondContact O-N 2.88Å; I60-R62 PolarHBondContact O-N 3.43Å; R62-Y65 WeakPolarHBondContact O-CB 3.27Å; R62-Y65 PolarHBondContact O-N 2.93Å; R62-I66 HydrophobicContact CG-CD1 4.46Å; R62-I66 PolarHBondContact O-N 3.36Å
63H94.2Very high93.7Very high47 Ų4737.1 Ų37.122%0.21819%0.193CC..Hα-helixtrans-63.5-43.1176.9-172.5-65000111.6A59 I60 L61 Y65 I66 R67 T69 L74 A77A59-H63 WeakPolarHBondContact O-CB 3.33Å; A59-H63 PolarHBondContact O-N 3.02Å; I60-H63 PolarHBondContact O-N 2.78Å; L61-H63 VanDerWaalsContact C-N 3.33Å; L61-H63 PolarHBondContact O-N 3.02Å; H63-Y65 VanDerWaalsContact C-N 3.3Å; H63-Y65 PolarHBondContact O-N 3.42Å; H63-I66 PolarHBondContact O-N 3.23Å; H63-R67 CarbonylContact O-C 3.59Å; H63-R67 PolarHBondContact O-N 3.06Å; H63-R67 VanDerWaalsContact O-O 3.07Å; H63-T69 PolarHBondContact CE1-OG1 2.97Å; H63-L74 HydrophobicContact CB-CD2 4.13Å; H63-A77 WeakPolarHBondContact NE2-CB 3.46Å
64L93.5Very high93.7Very high5 Ų537 Ų373%0.02619%0.192CC..Hα-helixtrans-66-31.1178.2-71.1177.1000112.7I60 L61 C112 R120I60-L64 HydrophobicContact CG2-CD1 3.9Å; I60-L64 HydrophobicContact CG2-CG 4.26Å; I60-L64 WeakPolarHBondContact O-CG 3.34Å; I60-L64 PolarHBondContact O-N 3.45Å; L61-L64 PolarHBondContact O-N 3.45Å; L64-C112 HydrophobicContact CD1-CB 4.47Å; L64-C112 WeakPolarHBondContact CD1-SG 3.49Å; L64-R120 HydrophobicContact CD1-CB 4.42Å; L64-R120 HydrophobicContact CD2-CB 4.27Å; L64-R120 WeakPolarHBondContact CD2-O 3.48Å
65Y93.1Very high93.7Very high12 Ų1236 Ų365%0.04719%0.189CC..Hα-helixtrans-62.6-42.6173-174-81.5000112.3V6 K7 L61 R62 H63 L122 R127 L130 D131V6-Y65 HydrophobicContact CB-CD1 3.97Å; V6-Y65 HydrophobicContact CB-CD2 4.39Å; V6-Y65 HydrophobicContact CB-CE1 3.86Å; V6-Y65 HydrophobicContact CB-CE2 4.23Å; V6-Y65 HydrophobicContact CB-CG 4.25Å; V6-Y65 HydrophobicContact CG1-CD1 4.48Å; V6-Y65 HydrophobicContact CG2-CD1 4.38Å; V6-Y65 HydrophobicContact CG2-CD2 3.89Å; V6-Y65 HydrophobicContact CG2-CE1 4.24Å; V6-Y65 HydrophobicContact CG2-CE2 3.68Å; V6-Y65 HydrophobicContact CG2-CG 4.23Å; K7-Y65 HydrophobicContact CG-CE1 4.32Å; L61-Y65 PolarHBondContact O-N 3.43Å; R62-Y65 WeakPolarHBondContact O-CB 3.27Å; R62-Y65 PolarHBondContact O-N 2.93Å; H63-Y65 VanDerWaalsContact C-N 3.3Å; H63-Y65 PolarHBondContact O-N 3.42Å; Y65-L122 HydrophobicContact CD2-CD2 3.87Å; Y65-R127 HydrophobicContact CD2-CG 4.49Å; Y65-R127 VanDerWaalsContact CE2-CD 3.47Å; Y65-R127 HydrophobicContact CE2-CG 3.91Å; Y65-R127 VanDerWaalsContact CE2-CZ 3.47Å; Y65-R127 VanDerWaalsContact CZ-NH2 3.26Å; Y65-R127 PolarHBondContact O-NH1 2.89Å; Y65-R127 PolarHBondContact OH-NH2 3.07Å; Y65-L130 HydrophobicContact CD2-CB 4.45Å; Y65-L130 HydrophobicContact CD2-CD1 4.02Å; Y65-D131 VanDerWaalsContact CE2-OD1 3.3Å; Y65-D131 WeakPolarHBondContact CE2-OD1 3.49Å; Y65-D131 VanDerWaalsContact CZ-OD1 3.29Å; Y65-D131 PolarHBondContact OH-OD1 3.37Å
66I92.7Very high93.7Very high88 Ų8839.5 Ų39.545%0.45120%0.2SC..Hα-helixtrans-79.1-48.1-178.7-61.8169.5000110.8R62 H63R62-I66 HydrophobicContact CG-CD1 4.46Å; R62-I66 PolarHBondContact O-N 3.36Å; H63-I66 PolarHBondContact O-N 3.23Å
67R90.9Very high93.7Very high170 Ų17039.5 Ų39.564%0.64221%0.211SC*.SBendtrans-138.5110.2-176.8-173.5-175.7178.2167.63.7110.4H63 T69H63-R67 CarbonylContact O-C 3.59Å; H63-R67 PolarHBondContact O-N 3.06Å; H63-R67 VanDerWaalsContact O-O 3.07Å; R67-T69 PolarHBondContact O-N 3.14Å; R67-T69 PolarHBondContact O-OG1 3.4Å
68P92Very high93.7Very high69 Ų6941.7 Ų41.745%0.44822%0.22SC..  trans-61.4126.217127.2-33.4000109C121P68-C121 HydrophobicContact CB-CB 4.1Å
69T92.1Very high93.7Very high16 Ų1643.1 Ų43.110%0.09823%0.23CC..BIsolated β-bridgetrans-146.5150.4-167.5-53.30000110.6H63 R67 L74 R120H63-T69 PolarHBondContact CE1-OG1 2.97Å; R67-T69 PolarHBondContact O-N 3.14Å; R67-T69 PolarHBondContact O-OG1 3.4Å; T69-L74 HydrophobicContact CG2-CG 4.4Å; T69-R120 PolarHBondContact N-O 3.24Å; T69-R120 PolarHBondContact O-N 3.36Å; T69-R120 VanDerWaalsContact O-N 3.11Å
70G91.2Very high93.6Very high21 Ų2150.3 Ų50.322%0.21626%0.255CS..  trans-85.1-177.6171.300000113.9T72 G73 L74G70-T72 PolarHBondContact O-N 3.02Å; G70-G73 PolarHBondContact O-N 3.44Å; G70-L74 WeakPolarHBondContact O-CG 3.3Å; G70-L74 PolarHBondContact O-N 3.06Å
71L93Very high93.5Very high34 Ų3457.2 Ų57.218%0.17829%0.285CS..Hα-helixtrans-58.6-44.1-179.9179.461.6000113L74 S75 C96 I99 R100 I103L71-L74 PolarHBondContact O-N 3.34Å; L71-S75 WeakPolarHBondContact O-CB 3.17Å; L71-S75 PolarHBondContact O-N 2.79Å; L71-C96 HydrophobicContact CD1-CB 4.4Å; L71-C96 HydrophobicContact CD2-CB 4.21Å; L71-C96 HydrophobicContact CG-CB 4.36Å; L71-I99 HydrophobicContact CD1-CB 3.75Å; L71-I99 HydrophobicContact CD1-CG2 3.53Å; L71-R100 HydrophobicContact CD1-CB 4.23Å; L71-R100 HydrophobicContact CD2-CB 4.38Å; L71-R100 VanDerWaalsContact CD2-NH2 3.26Å; L71-I103 HydrophobicContact CD1-CD1 4.33Å
72T92.8Very high93.5Very high103 Ų10361 Ų6163%0.63230%0.302SS*.Hα-helixtrans-66.7-38.8-179.452.10000111.9G70 S75 K76G70-T72 PolarHBondContact O-N 3.02Å; T72-S75 PolarHBondContact O-N 3.2Å; T72-K76 WeakPolarHBondContact O-CB 3.1Å; T72-K76 WeakPolarHBondContact O-CG 3.37Å; T72-K76 PolarHBondContact O-N 2.97Å
73G93.2Very high93.5Very high21 Ų2167 Ų6722%0.21632%0.324CS..Hα-helixtrans-68.3-38.7176.100000112.2G70 K76 A77G70-G73 PolarHBondContact O-N 3.44Å; G73-K76 WeakPolarHBondContact O-CB 3.38Å; G73-K76 PolarHBondContact O-N 3.05Å; G73-A77 WeakPolarHBondContact O-CB 3.21Å; G73-A77 PolarHBondContact O-N 3.26Å
74L94.7Very high93.3Very high0 Ų067.3 Ų67.30%033%0.328CS..Hα-helixtrans-66.2-40.5172.5-71.1168.2000111.8I60 H63 T69 G70 L71 K76 A77 F78 I99 I103I60-L74 HydrophobicContact CG2-CD1 4.09Å; H63-L74 HydrophobicContact CB-CD2 4.13Å; T69-L74 HydrophobicContact CG2-CG 4.4Å; G70-L74 WeakPolarHBondContact O-CG 3.3Å; G70-L74 PolarHBondContact O-N 3.06Å; L71-L74 PolarHBondContact O-N 3.34Å; L74-K76 VanDerWaalsContact C-N 3.27Å; L74-K76 PolarHBondContact O-N 3.45Å; L74-A77 WeakPolarHBondContact O-CB 3.18Å; L74-A77 PolarHBondContact O-N 2.95Å; L74-A77 VanDerWaalsContact O-N 3.12Å; L74-F78 HydrophobicContact CB-CE2 4.39Å; L74-F78 HydrophobicContact CD2-CE2 4.14Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 3.44Å; L74-I99 HydrophobicContact CB-CD1 4.42Å; L74-I99 HydrophobicContact CB-CG2 3.82Å; L74-I99 HydrophobicContact CD1-CG2 4Å; L74-I103 HydrophobicContact CD1-CD1 3.58Å; L74-I103 HydrophobicContact CD1-CG1 4.22Å
75S95.4Very high93.3Very high1 Ų169.8 Ų69.81%0.00735%0.354CS..Hα-helixtrans-61.7-36.8174.7178.80000112.2L71 T72 S79 L93 A94L71-S75 WeakPolarHBondContact O-CB 3.17Å; L71-S75 PolarHBondContact O-N 2.79Å; T72-S75 PolarHBondContact O-N 3.2Å; S75-S79 WeakPolarHBondContact O-CB 3.41Å; S75-S79 PolarHBondContact O-N 3.45Å; S75-S79 VanDerWaalsContact O-N 3.1Å; S75-L93 WeakPolarHBondContact OG-CB 3.19Å; S75-A94 PolarHBondContact O-N 2.85Å; S75-A94 PolarHBondContact OG-O 2.81Å
76K95.2Very high93.4Very high117 Ų11776.2 Ų76.251%0.50939%0.394SS..Hα-helixtrans-69-38.5171.2-76.8178.6-178-178.20112.6T72 G73 L74 S79 R91 L93T72-K76 WeakPolarHBondContact O-CB 3.1Å; T72-K76 WeakPolarHBondContact O-CG 3.37Å; T72-K76 PolarHBondContact O-N 2.97Å; G73-K76 WeakPolarHBondContact O-CB 3.38Å; G73-K76 PolarHBondContact O-N 3.05Å; L74-K76 VanDerWaalsContact C-N 3.27Å; L74-K76 PolarHBondContact O-N 3.45Å; K76-S79 WeakPolarHBondContact O-CB 3.41Å; K76-S79 PolarHBondContact O-N 2.82Å; K76-S79 PolarHBondContact O-OG 3.17Å; K76-R91 VanDerWaalsContact CB-NH2 3.34Å; K76-R91 PolarHBondContact O-NH2 3.35Å; K76-L93 HydrophobicContact CG-CD2 3.95Å
77A94.4Very high93.5Very high49 Ų4979.1 Ų79.141%0.40540%0.404SS..Hα-helixtrans-65.4-38.6178.300000112.1H63 G73 L74H63-A77 WeakPolarHBondContact NE2-CB 3.46Å; G73-A77 WeakPolarHBondContact O-CB 3.21Å; G73-A77 PolarHBondContact O-N 3.26Å; L74-A77 WeakPolarHBondContact O-CB 3.18Å; L74-A77 PolarHBondContact O-N 2.95Å; L74-A77 VanDerWaalsContact O-N 3.12Å
78F94.6Very high93.7Very high46 Ų4675.8 Ų75.820%0.20240%0.404CS..THydrogen-bonded Turntrans-92.76.9177.5-58.9-59.8000114R56 A59 I60 L74 A94 I99R56-F78 VanDerWaalsContact CZ-CD1 3.46Å; R56-F78 VanDerWaalsContact NH1-CD1 3.27Å; A59-F78 HydrophobicContact CB-CE1 4.13Å; A59-F78 HydrophobicContact CB-CZ 4.14Å; I60-F78 HydrophobicContact CG1-CE2 3.72Å; I60-F78 HydrophobicContact CG1-CZ 4.01Å; L74-F78 HydrophobicContact CB-CE2 4.39Å; L74-F78 HydrophobicContact CD2-CE2 4.14Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 3.44Å; F78-A94 HydrophobicContact CB-CB 3.64Å; F78-I99 HydrophobicContact CD2-CD1 3.97Å; F78-I99 HydrophobicContact CD2-CG1 4.44Å
79S95Very high93.9Very high29 Ų2975.1 Ų75.120%0.20340%0.4CS..  trans-68.8153.917972.20000111.8S75 K76 R91 S92S75-S79 WeakPolarHBondContact O-CB 3.41Å; S75-S79 PolarHBondContact O-N 3.45Å; S75-S79 VanDerWaalsContact O-N 3.1Å; K76-S79 WeakPolarHBondContact O-CB 3.41Å; K76-S79 PolarHBondContact O-N 2.82Å; K76-S79 PolarHBondContact O-OG 3.17Å; S79-R91 PolarHBondContact OG-NE 2.69Å; S79-R91 PolarHBondContact OG-NH2 2.98Å; S79-S92 WeakPolarHBondContact CA-O 3.4Å; S79-S92 VanDerWaalsContact CB-O 3.28Å; S79-S92 WeakPolarHBondContact CB-O 3.43Å
80R93.5Very high94Very high160 Ų16080.3 Ų80.360%0.60442%0.423SS*.EExtended strand (participates in β ladder)trans-135155.4178.1-161.8173.8-169.2-117.31.9111.1A42 K82 S92A42-R80 HydrophobicContact CB-CB 4.17Å; R80-K82 PolarHBondContact O-N 3.46Å; R80-S92 PolarHBondContact N-O 3.3Å; R80-S92 PolarHBondContact O-N 3.1Å; R80-S92 VanDerWaalsContact O-O 3.11Å
81K93.9Very high94.1Very high147 Ų14786.6 Ų86.664%0.63944%0.441SS*.EExtended strand (participates in β ladder)trans-70.7117.8169.5-173.2170.4179.6178.40109C89K81-C89 HydrophobicContact CD-CB 3.91Å; K81-C89 HydrophobicContact CG-CB 3.6Å
82K94Very high94.3Very high79 Ų7985.7 Ų85.734%0.34344%0.437SS..EExtended strand (participates in β ladder)trans-83.6128.3175.4-178.3175.4178.5-178.10109.4S41 A42 R80 C89 H90S41-K82 WeakPolarHBondContact O-CE 3.35Å; A42-K82 HydrophobicContact CB-CB 3.86Å; A42-K82 HydrophobicContact CB-CG 4.34Å; R80-K82 PolarHBondContact O-N 3.46Å; K82-C89 WeakPolarHBondContact O-CA 3.28Å; K82-C89 WeakPolarHBondContact O-CB 3.44Å; K82-H90 PolarHBondContact N-O 2.8Å; K82-H90 PolarHBondContact O-N 3Å
83R93.1Very high94.4Very high193 Ų19384.7 Ų84.773%0.72843%0.427SS*.EExtended strand (participates in β ladder)trans-81.1121.8172.1-174.7177.7-179.7-177.2-0.5109
84N91.8Very high94.5Very high53 Ų5384.1 Ų84.128%0.28342%0.421SS..EExtended strand (participates in β ladder)trans-10634.1-178.4-64.5-34.6000112.3V86 K87 P88 H90N84-V86 PolarHBondContact O-N 3.42Å; N84-K87 HydrophobicContact CB-CB 4.01Å; N84-K87 PolarHBondContact O-N 2.99Å; N84-P88 PolarHBondContact ND2-O 3.02Å; N84-H90 PolarHBondContact ND2-CD2 3.13Å
85G92.8Very high94.5Very high57 Ų5787.1 Ų87.159%0.58844%0.435SS*.THydrogen-bonded Turntrans68-117.2-17400000111.4
86V95.2Very high94.5Very high147 Ų14789.3 Ų89.389%0.89145%0.45SS*.THydrogen-bonded Turntrans-78.4-26.6177.665.60000113.1N84N84-V86 PolarHBondContact O-N 3.42Å
87K94.6Very high94.4Very high150 Ų15087.1 Ų87.165%0.65245%0.449SS*.EExtended strand (participates in β ladder)trans-72.1153-179.2-66.7-176.4179.8-177.10110.9N84 C89N84-K87 HydrophobicContact CB-CB 4.01Å; N84-K87 PolarHBondContact O-N 2.99Å; K87-C89 PolarHBondContact O-N 3.46Å
88P95.5Very high94.4Very high99 Ų9984.9 Ų84.964%0.64343%0.43SS*.EExtended strand (participates in β ladder)trans-49.6142.5173.5-28.435.5000112.5N84 H90N84-P88 PolarHBondContact ND2-O 3.02Å; P88-H90 PolarHBondContact O-CD2 2.85Å
89C94.8Very high94.4Very high55 Ų5582.8 Ų82.837%0.37242%0.421SS..EExtended strand (participates in β ladder)trans-76.9131.3179.4-67.90000110.3K81 K82 K87K81-C89 HydrophobicContact CD-CB 3.91Å; K81-C89 HydrophobicContact CG-CB 3.6Å; K82-C89 WeakPolarHBondContact O-CA 3.28Å; K82-C89 WeakPolarHBondContact O-CB 3.44Å; K87-C89 PolarHBondContact O-N 3.46Å
90H94.6Very high94.4Very high125 Ų12587.4 Ų87.458%0.57943%0.434SS*.EExtended strand (participates in β ladder)trans-111.2152.4176.8-69.4-76.9000111.5K82 N84 P88 S92K82-H90 PolarHBondContact N-O 2.8Å; K82-H90 PolarHBondContact O-N 3Å; N84-H90 PolarHBondContact ND2-CD2 3.13Å; P88-H90 PolarHBondContact O-CD2 2.85Å; H90-S92 PolarHBondContact O-N 3.34Å
91R94.9Very high94.5Very high153 Ų15384.3 Ų84.358%0.57743%0.425SS*.EExtended strand (participates in β ladder)trans-68.5124.8173.1-177.4-178.7-175.7171.66.4109.2K76 S79K76-R91 VanDerWaalsContact CB-NH2 3.34Å; K76-R91 PolarHBondContact O-NH2 3.35Å; S79-R91 PolarHBondContact OG-NE 2.69Å; S79-R91 PolarHBondContact OG-NH2 2.98Å
92S95.6Very high94.5Very high16 Ų1677.3 Ų77.311%0.11240%0.395CS..EExtended strand (participates in β ladder)trans-109.4132.4167.4-172.60000110.5S41 S79 R80 H90S41-S92 PolarHBondContact OG-OG 2.67Å; S79-S92 WeakPolarHBondContact CA-O 3.4Å; S79-S92 VanDerWaalsContact CB-O 3.28Å; S79-S92 WeakPolarHBondContact CB-O 3.43Å; R80-S92 PolarHBondContact N-O 3.3Å; R80-S92 PolarHBondContact O-N 3.1Å; R80-S92 VanDerWaalsContact O-O 3.11Å; H90-S92 PolarHBondContact O-N 3.34Å
93L95.8Very high94.5Very high81 Ų8174 Ų7442%0.42438%0.381SS..  trans-73155.1178.4-66.6-176.8000111.4S40 S75 K76S40-L93 PolarHBondContact OG-O 3.39Å; S75-L93 WeakPolarHBondContact OG-CB 3.19Å; K76-L93 HydrophobicContact CG-CD2 3.95Å
94A95.6Very high94.5Very high10 Ų1069 Ų698%0.08337%0.366CS..BIsolated β-bridgetrans-72.4149.9170.200000110.4S75 F78 C96 I99S75-A94 PolarHBondContact O-N 2.85Å; S75-A94 PolarHBondContact OG-O 2.81Å; F78-A94 HydrophobicContact CB-CB 3.64Å; A94-C96 PolarHBondContact O-N 2.92Å; A94-C96 VanDerWaalsContact O-N 3.09Å; A94-I99 HydrophobicContact CB-CD1 3.93Å
95H94.7Very high94.6Very high62 Ų6268.4 Ų68.429%0.28736%0.361SS..  trans-61.4115.7-179.7-70.3172.2000111.1K38 L39 S41 S97 V98 I99K38-H95 PolarHBondContact O-CE1 3.49Å; K38-H95 VanDerWaalsContact O-CE1 3.24Å; K38-H95 PolarHBondContact O-ND1 3.36Å; L39-H95 PolarHBondContact O-N 2.76Å; S41-H95 PolarHBondContact N-NE2 3.4Å; H95-S97 PolarHBondContact O-N 3.17Å; H95-V98 HydrophobicContact CB-CG2 3.95Å; H95-V98 PolarHBondContact O-N 3.08Å; H95-I99 PolarHBondContact O-N 3.47Å
96C95.1Very high94.6Very high48 Ų4865.7 Ų65.732%0.32433%0.333SS..Hα-helixtrans-64.8-29.2179.7-68.70000112.4L71 A94 I99 R100L71-C96 HydrophobicContact CD1-CB 4.4Å; L71-C96 HydrophobicContact CD2-CB 4.21Å; L71-C96 HydrophobicContact CG-CB 4.36Å; A94-C96 PolarHBondContact O-N 2.92Å; A94-C96 VanDerWaalsContact O-N 3.09Å; C96-I99 PolarHBondContact O-N 3.02Å; C96-R100 WeakPolarHBondContact O-CB 3.09Å; C96-R100 PolarHBondContact O-N 3.45Å
97S93.3Very high94.5Very high70 Ų7061.1 Ų61.149%0.4930%0.302SS..Hα-helixtrans-60.1-47176.851.20000111.8H95 R100 K101H95-S97 PolarHBondContact O-N 3.17Å; S97-R100 PolarHBondContact O-N 3.17Å; S97-K101 WeakPolarHBondContact O-CG 3.45Å; S97-K101 PolarHBondContact O-N 3.43Å
98V94Very high94.4Very high2 Ų258 Ų581%0.01230%0.304CS..Hα-helixtrans-61.8-50.8178.3-179.10000110.8W33 V37 L39 W52 R56 H95 R100 K101 A102W33-V98 HydrophobicContact CH2-CB 4.11Å; W33-V98 HydrophobicContact CH2-CG1 4.14Å; W33-V98 HydrophobicContact CH2-CG2 3.78Å; W33-V98 HydrophobicContact CZ3-CG1 4.49Å; W33-V98 HydrophobicContact CZ3-CG2 3.77Å; V37-V98 HydrophobicContact CG1-CG2 3.98Å; L39-V98 HydrophobicContact CD2-CG1 4.01Å; W52-V98 HydrophobicContact CH2-CG1 3.72Å; W52-V98 HydrophobicContact CZ3-CG1 3.55Å; R56-V98 HydrophobicContact CG-CG1 4.39Å; H95-V98 HydrophobicContact CB-CG2 3.95Å; H95-V98 PolarHBondContact O-N 3.08Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 2.8Å; V98-K101 PolarHBondContact O-N 2.96Å; V98-A102 PolarHBondContact O-N 3.33Å
99I95.1Very high94.2Very high2 Ų255.5 Ų55.51%0.0129%0.285CS..Hα-helixtrans-62.8-41.2-179.2-61.9171.1000110.5I60 L71 L74 F78 A94 H95 C96 A102 I103I60-I99 HydrophobicContact CD1-CG2 4.12Å; L71-I99 HydrophobicContact CD1-CB 3.75Å; L71-I99 HydrophobicContact CD1-CG2 3.53Å; L74-I99 HydrophobicContact CB-CD1 4.42Å; L74-I99 HydrophobicContact CB-CG2 3.82Å; L74-I99 HydrophobicContact CD1-CG2 4Å; F78-I99 HydrophobicContact CD2-CD1 3.97Å; F78-I99 HydrophobicContact CD2-CG1 4.44Å; A94-I99 HydrophobicContact CB-CD1 3.93Å; H95-I99 PolarHBondContact O-N 3.47Å; C96-I99 PolarHBondContact O-N 3.02Å; I99-A102 PolarHBondContact O-N 3.32Å; I99-I103 HydrophobicContact CG2-CD1 3.79Å; I99-I103 HydrophobicContact CG2-CG1 4.36Å; I99-I103 VanDerWaalsContact O-CG1 3.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 3.42Å
100R94.7Very high94.1Very high127 Ų12754.7 Ų54.748%0.47929%0.286SS..Hα-helixtrans-61.9-46.5178.5-173.3-169.6-51-82.43.7111.6L71 C96 S97 V98 A102 I103 Q104L71-R100 HydrophobicContact CD1-CB 4.23Å; L71-R100 HydrophobicContact CD2-CB 4.38Å; L71-R100 VanDerWaalsContact CD2-NH2 3.26Å; C96-R100 WeakPolarHBondContact O-CB 3.09Å; C96-R100 PolarHBondContact O-N 3.45Å; S97-R100 PolarHBondContact O-N 3.17Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 2.8Å; R100-A102 VanDerWaalsContact C-N 3.35Å; R100-I103 PolarHBondContact O-N 3.25Å; R100-Q104 WeakPolarHBondContact O-CG 3.3Å; R100-Q104 PolarHBondContact O-N 3.5Å
101K94.7Very high93.9Very high94 Ų9449.7 Ų49.741%0.40926%0.263SS..Hα-helixtrans-64.2-40.9178.5-73.2-75.1179.1-176.50111.4W33 S97 V98 Q104 Q105W33-K101 HydrophobicContact CZ2-CB 4.11Å; W33-K101 HydrophobicContact CZ2-CG 4.01Å; S97-K101 WeakPolarHBondContact O-CG 3.45Å; S97-K101 PolarHBondContact O-N 3.43Å; V98-K101 PolarHBondContact O-N 2.96Å; K101-Q104 PolarHBondContact O-N 3.04Å; K101-Q105 WeakPolarHBondContact O-CG 3.47Å; K101-Q105 PolarHBondContact O-N 3.43Å
102A94.5Very high93.9Very high0 Ų042.7 Ų42.70%024%0.237CC..Hα-helixtrans-60.2-46.8173.200000112.2F53 I60 V98 I99 R100 Q104 Q105 M106F53-A102 HydrophobicContact CE2-CB 4.39Å; F53-A102 HydrophobicContact CZ-CB 4.3Å; I60-A102 HydrophobicContact CD1-CB 3.56Å; V98-A102 PolarHBondContact O-N 3.33Å; I99-A102 PolarHBondContact O-N 3.32Å; R100-A102 VanDerWaalsContact C-N 3.35Å; A102-Q104 PolarHBondContact O-N 3.12Å; A102-Q105 PolarHBondContact O-N 3.32Å; A102-M106 WeakPolarHBondContact O-CG 3.49Å; A102-M106 PolarHBondContact O-N 2.83Å
103I94.3Very high93.8Very high10 Ų1046.5 Ų46.55%0.05125%0.254CS..Hα-helixtrans-60-45.3176.8-71.2168.1000111.5I60 L71 L74 I99 R100 Q105 M106 E107 R120I60-I103 HydrophobicContact CG2-CG1 4.24Å; L71-I103 HydrophobicContact CD1-CD1 4.33Å; L74-I103 HydrophobicContact CD1-CD1 3.58Å; L74-I103 HydrophobicContact CD1-CG1 4.22Å; I99-I103 HydrophobicContact CG2-CD1 3.79Å; I99-I103 HydrophobicContact CG2-CG1 4.36Å; I99-I103 VanDerWaalsContact O-CG1 3.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 3.42Å; R100-I103 PolarHBondContact O-N 3.25Å; I103-Q105 VanDerWaalsContact C-N 3.3Å; I103-Q105 PolarHBondContact O-N 2.96Å; I103-M106 PolarHBondContact O-N 3.3Å; I103-M106 VanDerWaalsContact O-N 3.16Å; I103-E107 HydrophobicContact CG2-CG 4.46Å; I103-E107 WeakPolarHBondContact CG2-OE1 3.36Å; I103-E107 WeakPolarHBondContact O-CG 3.48Å; I103-E107 PolarHBondContact O-N 2.97Å; I103-R120 HydrophobicContact CG2-CG 3.92Å
104Q93.9Very high93.6Very high88 Ų8849.8 Ų49.841%0.41126%0.264SS..Hα-helixtrans-59.7-40.9177.9-75174.1-24.100111.9R100 K101 A102 E107 A108R100-Q104 WeakPolarHBondContact O-CG 3.3Å; R100-Q104 PolarHBondContact O-N 3.5Å; K101-Q104 PolarHBondContact O-N 3.04Å; A102-Q104 PolarHBondContact O-N 3.12Å; Q104-E107 PolarHBondContact O-N 2.94Å; Q104-A108 WeakPolarHBondContact O-CB 3.3Å; Q104-A108 PolarHBondContact O-N 3.37Å
105Q93.3Very high93.1Very high40 Ų4055.2 Ų55.219%0.18728%0.283CS..Hα-helixtrans-64.3-43.9174.5-67.3-64.6-41.500111.3K101 A102 I103 E107 A108 L109K101-Q105 WeakPolarHBondContact O-CG 3.47Å; K101-Q105 PolarHBondContact O-N 3.43Å; A102-Q105 PolarHBondContact O-N 3.32Å; I103-Q105 VanDerWaalsContact C-N 3.3Å; I103-Q105 PolarHBondContact O-N 2.96Å; Q105-E107 VanDerWaalsContact C-N 3.31Å; Q105-E107 PolarHBondContact O-N 3.18Å; Q105-A108 PolarHBondContact O-N 3.36Å; Q105-L109 WeakPolarHBondContact O-CG 3.33Å; Q105-L109 PolarHBondContact O-N 2.89Å
106M92.6Very high92.6Very high0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-68.5-29.6179.3-62.3-55.797.600113.3L22 V28 C57 L61 A102 I103 L109 G110 M111 C112L22-M106 HydrophobicContact CD1-SD 4.49Å; V28-M106 HydrophobicContact CG2-CE 3.88Å; C57-M106 HydrophobicContact CB-CE 3.85Å; C57-M106 HydrophobicContact CB-SD 4.02Å; L61-M106 HydrophobicContact CD1-SD 3.65Å; L61-M106 HydrophobicContact CD2-CB 4.25Å; L61-M106 HydrophobicContact CD2-CG 4.07Å; L61-M106 HydrophobicContact CD2-SD 4.14Å; L61-M106 HydrophobicContact CG-CG 4.19Å; L61-M106 HydrophobicContact CG-SD 3.95Å; A102-M106 WeakPolarHBondContact O-CG 3.49Å; A102-M106 PolarHBondContact O-N 2.83Å; I103-M106 PolarHBondContact O-N 3.3Å; I103-M106 VanDerWaalsContact O-N 3.16Å; M106-L109 HydrophobicContact CE-CD1 3.66Å; M106-L109 HydrophobicContact SD-CD1 4.24Å; M106-G110 PolarHBondContact O-N 3.4Å; M106-M111 PolarHBondContact O-N 3.41Å; M106-M111 HydrophobicContact SD-SD 4.37Å; M106-C112 HydrophobicContact CB-CB 4.34Å; M106-C112 PolarHBondContact O-N 3.06Å
107E93.3Very high92Very high51 Ų5165.3 Ų65.324%0.23833%0.33CS..Hα-helixtrans-68.6-42.8170.2-79.7169.7-151.500111.6I103 Q104 Q105 L109 G110 C112 R120I103-E107 HydrophobicContact CG2-CG 4.46Å; I103-E107 WeakPolarHBondContact CG2-OE1 3.36Å; I103-E107 WeakPolarHBondContact O-CG 3.48Å; I103-E107 PolarHBondContact O-N 2.97Å; Q104-E107 PolarHBondContact O-N 2.94Å; Q105-E107 VanDerWaalsContact C-N 3.31Å; Q105-E107 PolarHBondContact O-N 3.18Å; E107-L109 PolarHBondContact O-N 2.91Å; E107-G110 PolarHBondContact O-N 3.24Å; E107-C112 HydrophobicContact CG-CB 4.03Å; E107-C112 WeakPolarHBondContact CG-O 3.48Å; E107-R120 WeakPolarHBondContact OE1-CD 3.44Å; E107-R120 IonicContact OE1-CZ 2.75Å; E107-R120 IonicContact OE1-NE 2.82Å; E107-R120 PolarHBondContact OE1-NE 3.35Å; E107-R120 IonicContact OE1-NH1 2.81Å; E107-R120 PolarHBondContact OE1-NH1 2.79Å; E107-R120 IonicContact OE1-NH2 3.34Å; E107-R120 PolarHBondContact OE1-NH2 3.18Å; E107-R120 IonicContact OE2-CZ 3.19Å; E107-R120 IonicContact OE2-NH1 2.81Å; E107-R120 PolarHBondContact OE2-NH1 3.05Å; E107-R120 IonicContact OE2-NH2 3.21Å; E107-R120 PolarHBondContact OE2-NH2 3.48Å
108A92.9Very high91.5Very high85 Ų8564 Ų6470%0.70233%0.327SS*.Hα-helixtrans-63.1-30.3175.700000112.7Q104 Q105 G110Q104-A108 WeakPolarHBondContact O-CB 3.3Å; Q104-A108 PolarHBondContact O-N 3.37Å; Q105-A108 PolarHBondContact O-N 3.36Å; A108-G110 VanDerWaalsContact C-N 3.26Å; A108-G110 PolarHBondContact O-N 2.95Å
109L90.6Very high91.3Very high47 Ų4765.1 Ų65.125%0.24634%0.339CS..THydrogen-bonded Turntrans-76.8-8.1172.5-64.8-179.5000113.9L22 K27 V28 Q105 M106 E107 M111L22-L109 HydrophobicContact CD2-CD1 4.27Å; K27-L109 HydrophobicContact CB-CD2 3.33Å; K27-L109 HydrophobicContact CD-CD2 4Å; K27-L109 HydrophobicContact CG-CD2 4.29Å; V28-L109 HydrophobicContact CG2-CD1 3.93Å; Q105-L109 WeakPolarHBondContact O-CG 3.33Å; Q105-L109 PolarHBondContact O-N 2.89Å; M106-L109 HydrophobicContact CE-CD1 3.66Å; M106-L109 HydrophobicContact SD-CD1 4.24Å; E107-L109 PolarHBondContact O-N 2.91Å; L109-M111 VanDerWaalsContact C-N 3.27Å; L109-M111 HydrophobicContact CB-CG 4.24Å; L109-M111 HydrophobicContact CD1-CE 4.48Å; L109-M111 PolarHBondContact O-N 3.41Å
110G91.7Very high91.1Very high37 Ų3768 Ų6838%0.38135%0.349SS..THydrogen-bonded Turntrans73.913.5-17600000114.5M106 E107 A108 T123M106-G110 PolarHBondContact O-N 3.4Å; E107-G110 PolarHBondContact O-N 3.24Å; A108-G110 VanDerWaalsContact C-N 3.26Å; A108-G110 PolarHBondContact O-N 2.95Å; G110-T123 WeakPolarHBondContact O-CB 3.34Å; G110-T123 VanDerWaalsContact O-CG2 3.26Å; G110-T123 WeakPolarHBondContact O-CG2 3.22Å; G110-T123 PolarHBondContact O-OG1 3.4Å
111M92Very high91Very high21 Ų2163 Ų6310%0.10333%0.334CS..SBendtrans-82.3-32.7177-66.2-173.1179.700112.2L22 L61 M106 L109 L122 T123L22-M111 HydrophobicContact CD2-CE 4.1Å; L22-M111 HydrophobicContact CD2-SD 4.42Å; L61-M111 HydrophobicContact CD1-SD 3.65Å; L61-M111 HydrophobicContact CD2-CB 3.9Å; L61-M111 HydrophobicContact CD2-SD 4.2Å; M106-M111 PolarHBondContact O-N 3.41Å; M106-M111 HydrophobicContact SD-SD 4.37Å; L109-M111 VanDerWaalsContact C-N 3.27Å; L109-M111 HydrophobicContact CB-CG 4.24Å; L109-M111 HydrophobicContact CD1-CE 4.48Å; L109-M111 PolarHBondContact O-N 3.41Å; M111-L122 WeakPolarHBondContact O-CD1 3.34Å; M111-T123 PolarHBondContact O-N 3.07Å; M111-T123 PolarHBondContact O-OG1 3.43Å
112C93.6Very high90.9Very high5 Ų559.6 Ų59.63%0.03432%0.32CS..EExtended strand (participates in β ladder)trans-118.5150.3178.6-64.20000111.2L61 L64 M106 E107 C121L61-C112 VanDerWaalsContact CD2-SG 3.59Å; L64-C112 HydrophobicContact CD1-CB 4.47Å; L64-C112 WeakPolarHBondContact CD1-SG 3.49Å; M106-C112 HydrophobicContact CB-CB 4.34Å; M106-C112 PolarHBondContact O-N 3.06Å; E107-C112 HydrophobicContact CG-CB 4.03Å; E107-C112 WeakPolarHBondContact CG-O 3.48Å; C112-C121 CarbonylContact C-O 3.57Å; C112-C121 WeakPolarHBondContact CA-O 3.49Å
113Q93.3Very high90.9Very high97 Ų9760.3 Ų60.345%0.45332%0.324SS..EExtended strand (participates in β ladder)trans-132.3159.9172.865.3-175.15100111.4R120 C121 T123Q113-R120 WeakPolarHBondContact O-CA 3.44Å; Q113-C121 WeakPolarHBondContact CG-SG 3.48Å; Q113-C121 PolarHBondContact N-O 3.21Å; Q113-C121 PolarHBondContact O-N 3.43Å; Q113-T123 HydrophobicContact CB-CG2 3.81Å; Q113-T123 HydrophobicContact CG-CG2 3.99Å
114K91.7Very high90.8Very high149 Ų14964.2 Ų64.265%0.64835%0.352SS*.EExtended strand (participates in β ladder)trans-71.3141168-153.8174.9171.8-171.50109.4
115R86.8Confident90.7Very high124 Ų12463.7 Ų63.747%0.46836%0.355SS..  trans-97.4149.4168.7-165-175.9-179.9-1651.2110.1G118 G119R115-G118 PolarHBondContact O-N 3.04Å; R115-G118 VanDerWaalsContact O-N 3.15Å; R115-G119 PolarHBondContact N-O 2.96Å
116E82.6Confident90.7Very high194 Ų19461.8 Ų61.891%0.90735%0.347SS*.THydrogen-bonded Turntrans-59-48174.1-65.7175176.700111.8G118E116-G118 PolarHBondContact O-N 3.33Å
117N82.7Confident90.7Very high129 Ų12966.8 Ų66.869%0.6937%0.365SS*.THydrogen-bonded Turntrans-69.213.7175.6-64.311.6000114.1
118G83.9Confident90.7Very high42 Ų4270.6 Ų70.643%0.43338%0.378SS..SBendtrans79.9164.7-176.100000114.1R115 E116R115-G118 PolarHBondContact O-N 3.04Å; R115-G118 VanDerWaalsContact O-N 3.15Å; E116-G118 PolarHBondContact O-N 3.33Å
119G88.3Confident90.6Very high25 Ų2569 Ų6926%0.25836%0.357SS..SBendtrans78.3-167.7-175.200000113.4R115R115-G119 PolarHBondContact N-O 2.96Å
120R91.3Very high90.8Very high63 Ų6366.9 Ų66.924%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-122140.9-178.8-57.1-56.9175.2152.311.8110.4L64 T69 I103 E107 Q113L64-R120 HydrophobicContact CD1-CB 4.42Å; L64-R120 HydrophobicContact CD2-CB 4.27Å; L64-R120 WeakPolarHBondContact CD2-O 3.48Å; T69-R120 PolarHBondContact N-O 3.24Å; T69-R120 PolarHBondContact O-N 3.36Å; T69-R120 VanDerWaalsContact O-N 3.11Å; I103-R120 HydrophobicContact CG2-CG 3.92Å; E107-R120 WeakPolarHBondContact OE1-CD 3.44Å; E107-R120 IonicContact OE1-CZ 2.75Å; E107-R120 IonicContact OE1-NE 2.82Å; E107-R120 PolarHBondContact OE1-NE 3.35Å; E107-R120 IonicContact OE1-NH1 2.81Å; E107-R120 PolarHBondContact OE1-NH1 2.79Å; E107-R120 IonicContact OE1-NH2 3.34Å; E107-R120 PolarHBondContact OE1-NH2 3.18Å; E107-R120 IonicContact OE2-CZ 3.19Å; E107-R120 IonicContact OE2-NH1 2.81Å; E107-R120 PolarHBondContact OE2-NH1 3.05Å; E107-R120 IonicContact OE2-NH2 3.21Å; E107-R120 PolarHBondContact OE2-NH2 3.48Å; Q113-R120 WeakPolarHBondContact O-CA 3.44Å
121C92.5Very high90.8Very high22 Ų2267 Ų6715%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-126162.1171.856.80000109.7P68 C112 Q113P68-C121 HydrophobicContact CB-CB 4.1Å; C112-C121 CarbonylContact C-O 3.57Å; C112-C121 WeakPolarHBondContact CA-O 3.49Å; Q113-C121 WeakPolarHBondContact CG-SG 3.48Å; Q113-C121 PolarHBondContact N-O 3.21Å; Q113-C121 PolarHBondContact O-N 3.43Å
122L93Very high90.9Very high23 Ų2372.4 Ų72.412%0.1236%0.357CS..EExtended strand (participates in β ladder)trans-76.8142.5174.1-15975000109.7L61 Y65 M111 R127 L130L61-L122 HydrophobicContact CD2-CD1 3.92Å; Y65-L122 HydrophobicContact CD2-CD2 3.87Å; M111-L122 WeakPolarHBondContact O-CD1 3.34Å; L122-R127 VanDerWaalsContact CD2-CA 3.41Å; L122-R127 HydrophobicContact CD2-CB 3.96Å; L122-R127 VanDerWaalsContact CD2-N 3.31Å; L122-L130 HydrophobicContact CD1-CD1 4.05Å; L122-L130 HydrophobicContact CD2-CD1 3.6Å; L122-L130 HydrophobicContact CD2-CG 4.41Å
123T94.8Very high90.8Very high15 Ų1572.8 Ų72.89%0.09236%0.359CS..  trans-73.9164.917265.60000110.6G110 M111 Q113 T125 G126 R127G110-T123 WeakPolarHBondContact O-CB 3.34Å; G110-T123 VanDerWaalsContact O-CG2 3.26Å; G110-T123 WeakPolarHBondContact O-CG2 3.22Å; G110-T123 PolarHBondContact O-OG1 3.4Å; M111-T123 PolarHBondContact O-N 3.07Å; M111-T123 PolarHBondContact O-OG1 3.43Å; Q113-T123 HydrophobicContact CB-CG2 3.81Å; Q113-T123 HydrophobicContact CG-CG2 3.99Å; T123-T125 VanDerWaalsContact C-N 3.3Å; T123-T125 PolarHBondContact O-N 3.02Å; T123-G126 PolarHBondContact O-N 3.3Å; T123-G126 PolarHBondContact OG1-N 3.28Å; T123-R127 PolarHBondContact O-N 3.18Å
124S92.4Very high90.8Very high91 Ų9168.2 Ų68.264%0.63634%0.337SS*.Hα-helixtrans-60.7-41.6173.9-174.60000111.7R127 R128S124-R127 WeakPolarHBondContact O-CB 3.26Å; S124-R127 PolarHBondContact O-N 3.28Å; S124-R128 PolarHBondContact O-N 3.39Å; S124-R128 VanDerWaalsContact O-N 3.08Å
125T92Very high90.8Very high77 Ų7766.5 Ų66.547%0.47233%0.328SS..Hα-helixtrans-61.3-46.8173.7-50.90000111.5T123 R127 R128 D129T123-T125 VanDerWaalsContact C-N 3.3Å; T123-T125 PolarHBondContact O-N 3.02Å; T125-R127 VanDerWaalsContact C-N 3.31Å; T125-R127 PolarHBondContact O-N 3.48Å; T125-R128 WeakPolarHBondContact O-CB 3.49Å; T125-R128 PolarHBondContact O-N 3.39Å; T125-D129 PolarHBondContact O-N 2.93Å
126G92.3Very high91Very high1 Ų165.4 Ų65.41%0.0133%0.328CS..Hα-helixtrans-59.6-41.1177.100000112.4T123 D129 L130T123-G126 PolarHBondContact O-N 3.3Å; T123-G126 PolarHBondContact OG1-N 3.28Å; G126-D129 PolarHBondContact O-N 3.07Å; G126-L130 WeakPolarHBondContact O-CB 3.42Å; G126-L130 VanDerWaalsContact O-CG 3.27Å; G126-L130 WeakPolarHBondContact O-CG 3.35Å; G126-L130 PolarHBondContact O-N 3.03Å
127R93Very high91.3Very high104 Ų10457.1 Ų57.139%0.39229%0.29SS..Hα-helixtrans-58.9-49.6175.4-169.1102.5-178.7175.73.2111Y65 L122 T123 S124 T125 D129 L130 D131Y65-R127 HydrophobicContact CD2-CG 4.49Å; Y65-R127 VanDerWaalsContact CE2-CD 3.47Å; Y65-R127 HydrophobicContact CE2-CG 3.91Å; Y65-R127 VanDerWaalsContact CE2-CZ 3.47Å; Y65-R127 VanDerWaalsContact CZ-NH2 3.26Å; Y65-R127 PolarHBondContact O-NH1 2.89Å; Y65-R127 PolarHBondContact OH-NH2 3.07Å; L122-R127 VanDerWaalsContact CD2-CA 3.41Å; L122-R127 HydrophobicContact CD2-CB 3.96Å; L122-R127 VanDerWaalsContact CD2-N 3.31Å; T123-R127 PolarHBondContact O-N 3.18Å; S124-R127 WeakPolarHBondContact O-CB 3.26Å; S124-R127 PolarHBondContact O-N 3.28Å; T125-R127 VanDerWaalsContact C-N 3.31Å; T125-R127 PolarHBondContact O-N 3.48Å; R127-D129 PolarHBondContact O-N 3.11Å; R127-L130 PolarHBondContact O-N 2.99Å; R127-D131 PolarHBondContact O-N 3.21Å
128R92.6Very high91.6Very high132 Ų13253.4 Ų53.450%0.49827%0.27SS..Hα-helixtrans-59.6-44.9180-170.7-172.6-60.4161.8-1.4112.2S124 T125 D131 R132S124-R128 PolarHBondContact O-N 3.39Å; S124-R128 VanDerWaalsContact O-N 3.08Å; T125-R128 WeakPolarHBondContact O-CB 3.49Å; T125-R128 PolarHBondContact O-N 3.39Å; R128-D131 PolarHBondContact O-N 3.23Å; R128-R132 VanDerWaalsContact CD-NH2 3.27Å; R128-R132 WeakPolarHBondContact O-CB 3.21Å; R128-R132 VanDerWaalsContact O-CG 3.27Å; R128-R132 WeakPolarHBondContact O-CG 3.38Å; R128-R132 PolarHBondContact O-N 3.45Å
129D92.3Very high91.8Very high50 Ų5058 Ų5827%0.26728%0.278SS..Hα-helixtrans-67.9-38.7-179.5-70.2-20.7000112.1T125 G126 R127 R132 L133T125-D129 PolarHBondContact O-N 2.93Å; G126-D129 PolarHBondContact O-N 3.07Å; R127-D129 PolarHBondContact O-N 3.11Å; D129-R132 PolarHBondContact O-N 3.2Å; D129-R132 IonicContact OD1-CZ 2.91Å; D129-R132 IonicContact OD1-NH1 3.78Å; D129-R132 PolarHBondContact OD1-NH1 3.48Å; D129-L133 PolarHBondContact O-N 3.22Å
130L93Very high91.6Very high4 Ų464.4 Ų64.42%0.02130%0.301CS..Hα-helixtrans-64.7-41.3175.1-71-172000112.3V6 Y14 L18 L61 Y65 L122 G126 R127 L133 A134V6-L130 HydrophobicContact CG2-CB 3.79Å; Y14-L130 HydrophobicContact CE1-CD2 4.48Å; Y14-L130 VanDerWaalsContact OH-C 3.31Å; Y14-L130 WeakPolarHBondContact OH-CA 3.4Å; Y14-L130 WeakPolarHBondContact OH-CB 3.48Å; Y14-L130 WeakPolarHBondContact OH-CD2 3.5Å; Y14-L130 PolarHBondContact OH-O 3.01Å; L18-L130 HydrophobicContact CD1-CD2 3.8Å; L18-L130 HydrophobicContact CD2-CD2 3.62Å; L18-L130 HydrophobicContact CG-CD2 4.4Å; L61-L130 HydrophobicContact CB-CD1 4.28Å; L61-L130 HydrophobicContact CB-CD2 4.34Å; L61-L130 HydrophobicContact CD1-CD2 4.43Å; Y65-L130 HydrophobicContact CD2-CB 4.45Å; Y65-L130 HydrophobicContact CD2-CD1 4.02Å; L122-L130 HydrophobicContact CD1-CD1 4.05Å; L122-L130 HydrophobicContact CD2-CD1 3.6Å; L122-L130 HydrophobicContact CD2-CG 4.41Å; G126-L130 WeakPolarHBondContact O-CB 3.42Å; G126-L130 VanDerWaalsContact O-CG 3.27Å; G126-L130 WeakPolarHBondContact O-CG 3.35Å; G126-L130 PolarHBondContact O-N 3.03Å; R127-L130 PolarHBondContact O-N 2.99Å; L130-L133 PolarHBondContact O-N 2.99Å; L130-A134 PolarHBondContact O-N 2.9Å
131D93.6Very high90.8Very high39 Ų3971.2 Ų71.221%0.20933%0.326CS..Hα-helixtrans-69.9-37.7177.6-68.6-30.2000111.5V6 Y65 R127 R128 L133 A134 Y135V6-D131 PolarHBondContact N-OD1 2.79Å; Y65-D131 VanDerWaalsContact CE2-OD1 3.3Å; Y65-D131 WeakPolarHBondContact CE2-OD1 3.49Å; Y65-D131 VanDerWaalsContact CZ-OD1 3.29Å; Y65-D131 PolarHBondContact OH-OD1 3.37Å; R127-D131 PolarHBondContact O-N 3.21Å; R128-D131 PolarHBondContact O-N 3.23Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.4Å; D131-A134 WeakPolarHBondContact O-CB 3.41Å; D131-A134 PolarHBondContact O-N 3.22Å; D131-Y135 PolarHBondContact O-N 3.44Å
132R92.4Very high88.9Confident134 Ų13480.4 Ų80.451%0.50637%0.367SS..Hα-helixtrans-59.7-43.3172.3-76.1170.2-174.2168.3-11112.2R128 D129 A134 Y135 Q136R128-R132 VanDerWaalsContact CD-NH2 3.27Å; R128-R132 WeakPolarHBondContact O-CB 3.21Å; R128-R132 VanDerWaalsContact O-CG 3.27Å; R128-R132 WeakPolarHBondContact O-CG 3.38Å; R128-R132 PolarHBondContact O-N 3.45Å; D129-R132 PolarHBondContact O-N 3.2Å; D129-R132 IonicContact OD1-CZ 2.91Å; D129-R132 IonicContact OD1-NH1 3.78Å; D129-R132 PolarHBondContact OD1-NH1 3.48Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-Y135 WeakPolarHBondContact O-CB 3.31Å; R132-Y135 PolarHBondContact O-N 3.47Å; R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.95Å
133L92.4Very high88.7Confident14 Ų1483.3 Ų83.37%0.07338%0.379CS..Hα-helixtrans-65.5-39176.5-175.569.7000111.3Y14 L18 F21 D129 L130 D131 Y135 Q136 I137Y14-L133 HydrophobicContact CE2-CB 4.41Å; Y14-L133 HydrophobicContact CE2-CD2 4.23Å; Y14-L133 HydrophobicContact CE2-CG 4.36Å; L18-L133 VanDerWaalsContact CA-CD2 3.49Å; L18-L133 HydrophobicContact CB-CD2 3.57Å; L18-L133 HydrophobicContact CD1-CD2 3.51Å; L18-L133 HydrophobicContact CG-CD2 4.11Å; F21-L133 HydrophobicContact CB-CD1 4.48Å; D129-L133 PolarHBondContact O-N 3.22Å; L130-L133 PolarHBondContact O-N 2.99Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.4Å; L133-Y135 VanDerWaalsContact C-N 3.29Å; L133-Y135 PolarHBondContact O-N 2.94Å; L133-Q136 PolarHBondContact O-N 3.33Å; L133-I137 HydrophobicContact CG-CD1 4.11Å; L133-I137 WeakPolarHBondContact O-CD1 3.36Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 3.31Å
134A92.3Very high88.4Confident0 Ų086.9 Ų86.90%039%0.394CS..Hα-helixtrans-60-42.5175.500000111.3V4 V9 Y14 L130 D131 R132 I137 L138V4-A134 HydrophobicContact CG1-CB 4.25Å; V9-A134 HydrophobicContact CG2-CB 3.83Å; Y14-A134 HydrophobicContact CD2-CB 4.38Å; Y14-A134 HydrophobicContact CE2-CB 3.87Å; L130-A134 PolarHBondContact O-N 2.9Å; D131-A134 WeakPolarHBondContact O-CB 3.41Å; D131-A134 PolarHBondContact O-N 3.22Å; R132-A134 VanDerWaalsContact C-N 3.33Å; A134-I137 PolarHBondContact O-N 3.49Å; A134-L138 PolarHBondContact O-N 2.94Å
135Y92.3Very high88.1Confident114 Ų11486.7 Ų86.745%0.44738%0.381SS..Hα-helixtrans-62.2-41.9174.6-178.6-98.3000112.8V4 D131 R132 L133 L138 K139V4-Y135 HydrophobicContact CB-CD2 4.38Å; V4-Y135 HydrophobicContact CG2-CD2 4.08Å; D131-Y135 PolarHBondContact O-N 3.44Å; R132-Y135 WeakPolarHBondContact O-CB 3.31Å; R132-Y135 PolarHBondContact O-N 3.47Å; L133-Y135 VanDerWaalsContact C-N 3.29Å; L133-Y135 PolarHBondContact O-N 2.94Å; Y135-L138 PolarHBondContact O-N 3.28Å; Y135-K139 WeakPolarHBondContact O-CB 3.29Å; Y135-K139 PolarHBondContact O-N 3.28Å
136Q90.6Very high87.9Confident101 Ų10187.2 Ų87.247%0.47238%0.376SS..Hα-helixtrans-60.9-45.7176.5-73.6176-13.200112.1R132 L133 L138 K139 E140R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.95Å; L133-Q136 PolarHBondContact O-N 3.33Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 2.67Å; Q136-K139 PolarHBondContact O-N 3.31Å; Q136-E140 WeakPolarHBondContact O-CG 3.42Å; Q136-E140 PolarHBondContact O-N 3.31Å
137I90.5Very high87.6Confident20 Ų2092.6 Ų92.610%0.10340%0.399CS..Hα-helixtrans-63.9-40.2179.2-63.8159.7000111.2V9 Y14 A17 L133 A134 K139 E140 R141V9-I137 HydrophobicContact CG1-CB 4.33Å; V9-I137 HydrophobicContact CG1-CD1 4.42Å; V9-I137 HydrophobicContact CG1-CG2 3.77Å; Y14-I137 HydrophobicContact CD2-CD1 3.59Å; Y14-I137 HydrophobicContact CE2-CD1 4.18Å; Y14-I137 HydrophobicContact CG-CD1 4.39Å; A17-I137 HydrophobicContact CB-CD1 3.52Å; A17-I137 HydrophobicContact CB-CG1 3.83Å; L133-I137 HydrophobicContact CG-CD1 4.11Å; L133-I137 WeakPolarHBondContact O-CD1 3.36Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 3.31Å; A134-I137 PolarHBondContact O-N 3.49Å; I137-K139 VanDerWaalsContact C-N 3.32Å; I137-E140 PolarHBondContact O-N 3.41Å; I137-R141 PolarHBondContact O-N 2.82Å
138L87.8Confident87.3Confident51 Ų5191.9 Ų91.927%0.26740%0.399SS..Hα-helixtrans-66.9-36.8177.9-169.1139.5000111.4V4 A134 Y135 Q136 R141V4-L138 HydrophobicContact CG1-CB 4.45Å; V4-L138 HydrophobicContact CG1-CD1 4.02Å; V4-L138 HydrophobicContact CG2-CD1 4.24Å; V4-L138 HydrophobicContact CG2-CD2 4.44Å; A134-L138 PolarHBondContact O-N 2.94Å; Y135-L138 PolarHBondContact O-N 3.28Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 2.67Å; L138-R141 PolarHBondContact O-N 2.88Å
139K87.5Confident86.9Confident138 Ų13889 Ų8960%0.639%0.392SS*.Hα-helixtrans-67.2-40.8173.7-174.1-179.9177.9-178.10112.5Y135 Q136 I137 R141 H142Y135-K139 WeakPolarHBondContact O-CB 3.29Å; Y135-K139 PolarHBondContact O-N 3.28Å; Q136-K139 PolarHBondContact O-N 3.31Å; I137-K139 VanDerWaalsContact C-N 3.32Å; K139-R141 PolarHBondContact O-N 3.42Å; K139-H142 PolarHBondContact O-N 3.37Å
140E84.2Confident86.5Confident160 Ų16092 Ų9275%0.74840%0.401SS*.Hα-helixtrans-66.6-21.3178.8-75.6176.1-178.200113.4Q136 I137Q136-E140 WeakPolarHBondContact O-CG 3.42Å; Q136-E140 PolarHBondContact O-N 3.31Å; I137-E140 PolarHBondContact O-N 3.41Å
141R75Confident85.9Confident205 Ų20599.3 Ų99.377%0.77443%0.433SS*.THydrogen-bonded Turntrans-84.6-18.8-180-166.4174.9-178.4-160.2-0.3113.5I137 L138 K139I137-R141 PolarHBondContact O-N 2.82Å; L138-R141 PolarHBondContact O-N 2.88Å; K139-R141 PolarHBondContact O-N 3.42Å
142H52.7Low85.2Confident216 Ų216104.8 Ų104.8100%145%0.454SS*.  trans-100.90176.8-85.6-103.1000110K139K139-H142 PolarHBondContact O-N 3.37Å

Retrieved 142 of 142 residues in 73.7 ms (Link to these results)

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