A0A077ZQA2_TRITR Loading...

Reverse transcriptase

AlphaFold DB , UniProt , Accession A0A077ZQA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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
1M50.8Low70.1Confident122 Ų12268.2 Ų68.260%0.60139%0.392SS*.  05.30-152.3176.7-7400114.7V4 W70M1-V4 HydrophobicContact CG-CB 4.26Å; M1-V4 HydrophobicContact CG-CG2 4.24Å; M1-W70 HydrophobicContact CE-CE3 4.49Å; M1-W70 HydrophobicContact CE-CH2 3.38Å; M1-W70 HydrophobicContact CE-CZ2 4.28Å; M1-W70 HydrophobicContact CE-CZ3 3.55Å; M1-W70 HydrophobicContact SD-CD2 4.42Å; M1-W70 HydrophobicContact SD-CE3 3.54Å; M1-W70 VanDerWaalsContact SD-CE3 3.54Å; M1-W70 HydrophobicContact SD-CH2 3.56Å; M1-W70 VanDerWaalsContact SD-CH2 3.56Å; M1-W70 HydrophobicContact SD-CZ2 4.42Å; M1-W70 HydrophobicContact SD-CZ3 3.06Å; M1-W70 WeakPolarHBondContact SD-CZ3 3.29Å
2H56.3Low72Confident129 Ų12967.6 Ų67.660%0.59740%0.401SS*.Hα-helixtrans-68.5-37.1172.5-139.3144.5000111.6V4 Q5 L6H2-V4 PolarHBondContact O-N 2.98Å; H2-Q5 PolarHBondContact O-N 3.31Å; H2-Q5 VanDerWaalsContact O-N 3.13Å; H2-L6 WeakPolarHBondContact CD2-CD1 3.33Å; H2-L6 PolarHBondContact O-N 3.23Å
3A58.2Low73.7Confident50 Ų5065.9 Ų65.941%0.41339%0.389SS..Hα-helixtrans-58.5-44.3177.900000112.6Q5 L6 C7 F154A3-Q5 PolarHBondContact O-N 2.7Å; A3-L6 PolarHBondContact O-N 3.44Å; A3-C7 WeakPolarHBondContact O-CA 3.48Å; A3-C7 WeakPolarHBondContact O-CB 3.21Å; A3-C7 PolarHBondContact O-N 3.33Å; A3-F154 HydrophobicContact CB-CE1 4.4Å; A3-F154 HydrophobicContact CB-CE2 3.65Å; A3-F154 HydrophobicContact CB-CZ 3.46Å; A3-F154 VanDerWaalsContact CB-CZ 3.46Å
4V59.7Low75.1Confident15 Ų1564 Ų649%0.09137%0.372CS..Hα-helixtrans-62.9-28178.6-172.50000112.7M1 H2 T10 R14 I150 F154M1-V4 HydrophobicContact CG-CB 4.26Å; M1-V4 HydrophobicContact CG-CG2 4.24Å; H2-V4 PolarHBondContact O-N 2.98Å; V4-T10 PolarHBondContact O-OG1 3.04Å; V4-R14 PolarHBondContact O-NH1 3.5Å; V4-I150 HydrophobicContact CG1-CB 4.34Å; V4-I150 HydrophobicContact CG1-CG2 3.34Å; V4-F154 HydrophobicContact CG2-CB 4.16Å; V4-F154 HydrophobicContact CG2-CD1 3.67Å; V4-F154 HydrophobicContact CG2-CD2 4.26Å; V4-F154 HydrophobicContact CG2-CE1 4.13Å; V4-F154 HydrophobicContact CG2-CG 3.74Å
5Q65.3Low76.4Confident72 Ų7264.3 Ų64.334%0.33637%0.37SS..Hα-helixtrans-86.9-19.6179.6-68.6-167.9-33.700114H2 A3 R14H2-Q5 PolarHBondContact O-N 3.31Å; H2-Q5 VanDerWaalsContact O-N 3.13Å; A3-Q5 PolarHBondContact O-N 2.7Å; Q5-R14 VanDerWaalsContact C-CZ 3.42Å; Q5-R14 WeakPolarHBondContact O-CD 3.36Å; Q5-R14 PolarHBondContact O-NE 3.43Å; Q5-R14 VanDerWaalsContact O-NE 3.08Å; Q5-R14 PolarHBondContact O-NH1 2.9Å
6L66.8Low77.7Confident123 Ų12365.7 Ų65.764%0.64438%0.375SS*.Hα-helixtrans-117-20.6-174.7-64.6178.3000113.9H2 A3 G8H2-L6 WeakPolarHBondContact CD2-CD1 3.33Å; H2-L6 PolarHBondContact O-N 3.23Å; A3-L6 PolarHBondContact O-N 3.44Å; L6-G8 PolarHBondContact O-N 3.17Å
7C76.1Confident78.8Confident28 Ų2862.9 Ų62.919%0.18936%0.357CS..  trans-62136.9-176.9-178.30000111.4A3 S9 T10 R14 F154A3-C7 WeakPolarHBondContact O-CA 3.48Å; A3-C7 WeakPolarHBondContact O-CB 3.21Å; A3-C7 PolarHBondContact O-N 3.33Å; C7-S9 VanDerWaalsContact C-N 3.34Å; C7-S9 PolarHBondContact O-N 3.49Å; C7-S9 PolarHBondContact SG-OG 2.85Å; C7-T10 PolarHBondContact O-N 3.02Å; C7-T10 PolarHBondContact O-OG1 2.87Å; C7-R14 VanDerWaalsContact O-CZ 3.29Å; C7-R14 PolarHBondContact O-NH1 3.48Å; C7-R14 PolarHBondContact O-NH2 3.35Å; C7-F154 HydrophobicContact CB-CD2 4.29Å; C7-F154 HydrophobicContact CB-CE2 4.27Å
8G78.8Confident79.8Confident62 Ų6262.1 Ų62.164%0.63935%0.349SS*.SBendtrans-62.2-38.7179.200000112.9L6 T10 H11L6-G8 PolarHBondContact O-N 3.17Å; G8-T10 PolarHBondContact O-N 2.66Å; G8-H11 WeakPolarHBondContact O-CB 2.98Å; G8-H11 PolarHBondContact O-N 3.43Å
9S83.5Confident80.8Confident46 Ų4663.3 Ų63.332%0.32235%0.35SS..THydrogen-bonded Turntrans-57.9-36.5-179.665.10000112.5C7 H153C7-S9 VanDerWaalsContact C-N 3.34Å; C7-S9 PolarHBondContact O-N 3.49Å; C7-S9 PolarHBondContact SG-OG 2.85Å; S9-H153 PolarHBondContact O-NE2 3.41Å; S9-H153 VanDerWaalsContact O-NE2 3.17Å
10T87.3Confident81.6Confident0 Ų062.3 Ų62.30%035%0.346CS..THydrogen-bonded Turntrans-88.1-3.9-178.439.80000114.1V4 C7 G8 A12 L13 R14 I150 F154V4-T10 PolarHBondContact O-OG1 3.04Å; C7-T10 PolarHBondContact O-N 3.02Å; C7-T10 PolarHBondContact O-OG1 2.87Å; G8-T10 PolarHBondContact O-N 2.66Å; T10-A12 PolarHBondContact O-N 3.35Å; T10-L13 PolarHBondContact O-N 3.44Å; T10-R14 WeakPolarHBondContact O-CG 3.1Å; T10-R14 PolarHBondContact O-N 3.32Å; T10-R14 PolarHBondContact OG1-NH1 3.21Å; T10-I150 HydrophobicContact CG2-CG2 3.61Å; T10-I150 WeakPolarHBondContact CG2-O 3.33Å; T10-F154 HydrophobicContact CG2-CB 3.92Å
11H88.6Confident82.4Confident103 Ų10359.3 Ų59.348%0.47733%0.329SS..Hα-helixtrans-57.9-46.6-173.5178.3-108.3000113.1G8 L13 R14 I15G8-H11 WeakPolarHBondContact O-CB 2.98Å; G8-H11 PolarHBondContact O-N 3.43Å; H11-L13 VanDerWaalsContact C-N 3.34Å; H11-L13 PolarHBondContact O-N 3.46Å; H11-R14 WeakPolarHBondContact O-CB 3.29Å; H11-R14 PolarHBondContact O-N 2.94Å; H11-I15 WeakPolarHBondContact CE1-CD1 3.42Å; H11-I15 PolarHBondContact O-N 2.8Å
12A92.3Very high84.7Confident61 Ų6153.6 Ų53.650%0.50430%0.302SS..Hα-helixtrans-60.5-43.3178.800000111.9T10 R14 I15 I16T10-A12 PolarHBondContact O-N 3.35Å; A12-R14 PolarHBondContact O-N 3.17Å; A12-I15 WeakPolarHBondContact O-CB 3.49Å; A12-I15 PolarHBondContact O-N 2.9Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 3.43Å
13L94.5Very high86.7Confident46 Ų4648.6 Ų48.624%0.24129%0.285CS..Hα-helixtrans-67.4-35.1177.9-64.2174.7000112.2T10 H11 I16 R17 I150 H153T10-L13 PolarHBondContact O-N 3.44Å; H11-L13 VanDerWaalsContact C-N 3.34Å; H11-L13 PolarHBondContact O-N 3.46Å; L13-I16 HydrophobicContact CD2-CD1 4.35Å; L13-I16 PolarHBondContact O-N 3.13Å; L13-R17 PolarHBondContact O-N 3.34Å; L13-I150 HydrophobicContact CB-CG1 3.59Å; L13-H153 HydrophobicContact CD1-CB 3.49Å; L13-H153 VanDerWaalsContact CD1-CB 3.49Å
14R93.8Very high88.6Confident39 Ų3947.5 Ų47.515%0.14727%0.274CS..Hα-helixtrans-62.7-42.2172.2-69.8-169.1-60.6-102.43111.7V4 Q5 C7 T10 H11 A12 R17 H18 I150V4-R14 PolarHBondContact O-NH1 3.5Å; Q5-R14 VanDerWaalsContact C-CZ 3.42Å; Q5-R14 WeakPolarHBondContact O-CD 3.36Å; Q5-R14 PolarHBondContact O-NE 3.43Å; Q5-R14 VanDerWaalsContact O-NE 3.08Å; Q5-R14 PolarHBondContact O-NH1 2.9Å; C7-R14 VanDerWaalsContact O-CZ 3.29Å; C7-R14 PolarHBondContact O-NH1 3.48Å; C7-R14 PolarHBondContact O-NH2 3.35Å; T10-R14 WeakPolarHBondContact O-CG 3.1Å; T10-R14 PolarHBondContact O-N 3.32Å; T10-R14 PolarHBondContact OG1-NH1 3.21Å; H11-R14 WeakPolarHBondContact O-CB 3.29Å; H11-R14 PolarHBondContact O-N 2.94Å; A12-R14 PolarHBondContact O-N 3.17Å; R14-R17 PolarHBondContact O-N 3.02Å; R14-H18 WeakPolarHBondContact O-CB 3.33Å; R14-H18 PolarHBondContact O-N 3.33Å; R14-I150 HydrophobicContact CG-CD1 4.14Å; R14-I150 HydrophobicContact CG-CG2 4.43Å
15I94.6Very high90.4Very high69 Ų6946.9 Ų46.935%0.35427%0.27SS..Hα-helixtrans-61.8-46.9174.6-70.1173.9000110.5H11 A12 R17 H18 K19H11-I15 WeakPolarHBondContact CE1-CD1 3.42Å; H11-I15 PolarHBondContact O-N 2.8Å; A12-I15 WeakPolarHBondContact O-CB 3.49Å; A12-I15 PolarHBondContact O-N 2.9Å; I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 2.85Å; I15-H18 PolarHBondContact O-N 3.11Å; I15-K19 HydrophobicContact CG2-CD 3.87Å; I15-K19 HydrophobicContact CG2-CG 4.13Å; I15-K19 WeakPolarHBondContact O-CB 3.49Å; I15-K19 WeakPolarHBondContact O-CG 3.24Å; I15-K19 PolarHBondContact O-N 2.87Å
16I96.4Very high92Very high86 Ų8645.5 Ų45.544%0.44126%0.263SS..Hα-helixtrans-58.3-45.6178.4-70.2164.8000110.8A12 L13 K19 T20 L146A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 3.43Å; L13-I16 HydrophobicContact CD2-CD1 4.35Å; L13-I16 PolarHBondContact O-N 3.13Å; I16-K19 PolarHBondContact O-N 3.42Å; I16-T20 WeakPolarHBondContact O-CB 3.39Å; I16-T20 PolarHBondContact O-N 2.91Å; I16-T20 PolarHBondContact O-OG1 2.86Å; I16-L146 HydrophobicContact CG2-CD2 4.43Å
17R97.2Very high93.5Very high19 Ų1943.3 Ų43.37%0.07225%0.25CC..Hα-helixtrans-58.3-50.9176.9-175.8178.966.3-179.3-1.2112.3L13 R14 I15 T20 L21 V68 M143 L146 T147 I150L13-R17 PolarHBondContact O-N 3.34Å; R14-R17 PolarHBondContact O-N 3.02Å; I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 2.85Å; R17-T20 PolarHBondContact O-N 3.05Å; R17-L21 PolarHBondContact O-N 3.06Å; R17-V68 HydrophobicContact CG-CG1 4.33Å; R17-V68 HydrophobicContact CG-CG2 4.41Å; R17-M143 HydrophobicContact CG-CE 4.29Å; R17-M143 HydrophobicContact CG-SD 3.72Å; R17-L146 HydrophobicContact CB-CB 3.95Å; R17-L146 HydrophobicContact CB-CD1 4.31Å; R17-L146 HydrophobicContact CG-CB 3.75Å; R17-L146 HydrophobicContact CG-CD1 4.26Å; R17-T147 PolarHBondContact NH1-OG1 2.7Å; R17-I150 HydrophobicContact CB-CD1 4.15Å
18H96.8Very high94.5Very high47 Ų4742.2 Ų42.222%0.21824%0.242CC..Hα-helixtrans-59.8-49.3178.4-17896.7000111.8R14 I15 T20 L21 M22 D52 T66R14-H18 WeakPolarHBondContact O-CB 3.33Å; R14-H18 PolarHBondContact O-N 3.33Å; I15-H18 PolarHBondContact O-N 3.11Å; H18-T20 VanDerWaalsContact C-N 3.27Å; H18-T20 PolarHBondContact O-N 3.32Å; H18-L21 PolarHBondContact O-N 2.83Å; H18-M22 PolarHBondContact O-N 2.76Å; H18-D52 IonicContact CD2-OD1 3.87Å; H18-D52 IonicContact CD2-OD2 3.9Å; H18-D52 IonicContact CE1-OD1 2.76Å; H18-D52 IonicContact CE1-OD2 3.95Å; H18-D52 PolarHBondContact CE1-OD2 3.37Å; H18-D52 IonicContact NE2-OD1 3.71Å; H18-D52 PolarHBondContact NE2-OD1 3.48Å; H18-D52 IonicContact NE2-OD2 2.97Å; H18-D52 PolarHBondContact NE2-OD2 2.96Å; H18-T66 PolarHBondContact CE1-O 2.88Å; H18-T66 PolarHBondContact CE1-OG1 2.91Å; H18-T66 PolarHBondContact NE2-OG1 3.02Å; H18-T66 VanDerWaalsContact NE2-OG1 3.13Å
19K97.5Very high95.4Very high85 Ų8539.3 Ų39.337%0.3721%0.212SC..Hα-helixtrans-63.8-30.6178.6-72.1-167.9175.8-154.60113I15 I16 M22 G23 E39I15-K19 HydrophobicContact CG2-CD 3.87Å; I15-K19 HydrophobicContact CG2-CG 4.13Å; I15-K19 WeakPolarHBondContact O-CB 3.49Å; I15-K19 WeakPolarHBondContact O-CG 3.24Å; I15-K19 PolarHBondContact O-N 2.87Å; I16-K19 PolarHBondContact O-N 3.42Å; K19-M22 HydrophobicContact CB-CE 4.29Å; K19-M22 HydrophobicContact CG-CE 4.12Å; K19-G23 PolarHBondContact O-N 2.79Å; K19-E39 IonicContact NZ-OE1 3.2Å; K19-E39 PolarHBondContact NZ-OE1 2.98Å; K19-E39 IonicContact NZ-OE2 2.77Å; K19-E39 PolarHBondContact NZ-OE2 3.41Å
20T98.3Very high96.1Very high43 Ų4341.5 Ų41.526%0.26422%0.216SC..Hα-helixtrans-66.6-42.8175.3-58.60000111.5I16 R17 H18 G23 S24 L142 M143 L146I16-T20 WeakPolarHBondContact O-CB 3.39Å; I16-T20 PolarHBondContact O-N 2.91Å; I16-T20 PolarHBondContact O-OG1 2.86Å; R17-T20 PolarHBondContact O-N 3.05Å; H18-T20 VanDerWaalsContact C-N 3.27Å; H18-T20 PolarHBondContact O-N 3.32Å; T20-G23 PolarHBondContact O-N 2.82Å; T20-S24 PolarHBondContact O-N 2.9Å; T20-S24 PolarHBondContact O-OG 2.91Å; T20-L142 HydrophobicContact CG2-CD1 4.23Å; T20-M143 HydrophobicContact CG2-CE 4.47Å; T20-L146 HydrophobicContact CG2-CD1 3.8Å
21L98.4Very high96.6Very high0 Ų049 Ų490%024%0.244CC..Hα-helixtrans-64.6-47.4175.4-176.760.8000111.4R17 H18 G23 S24 L25 V68 F108 V110 M139 M143R17-L21 PolarHBondContact O-N 3.06Å; H18-L21 PolarHBondContact O-N 2.83Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 2.87Å; L21-S24 WeakPolarHBondContact O-CB 3.47Å; L21-S24 PolarHBondContact O-N 2.82Å; L21-L25 PolarHBondContact O-N 3.2Å; L21-L25 VanDerWaalsContact O-N 3.09Å; L21-V68 HydrophobicContact CD2-CG2 3.87Å; L21-F108 HydrophobicContact CD1-CD1 4.18Å; L21-F108 HydrophobicContact CD1-CE1 3.76Å; L21-F108 HydrophobicContact CD2-CD1 4.39Å; L21-F108 HydrophobicContact CG-CD1 4.15Å; L21-F108 HydrophobicContact CG-CE1 4.23Å; L21-V110 HydrophobicContact CD1-CB 4.16Å; L21-V110 HydrophobicContact CD1-CG2 3.69Å; L21-V110 HydrophobicContact CD2-CB 4.03Å; L21-V110 HydrophobicContact CD2-CG2 4.17Å; L21-M139 HydrophobicContact CD1-CB 4.29Å; L21-M139 HydrophobicContact CD1-SD 4.39Å; L21-M143 HydrophobicContact CB-CE 3.87Å; L21-M143 HydrophobicContact CB-SD 3.99Å; L21-M143 HydrophobicContact CD2-SD 4.37Å
22M98.2Very high96.9Very high3 Ų348.7 Ų48.72%0.01524%0.241CC..Hα-helixtrans-55.2-46174179.3-169.967.700111.9H18 K19 S24 L25 K26 Q38 E39 D52 L53 T66H18-M22 PolarHBondContact O-N 2.76Å; K19-M22 HydrophobicContact CB-CE 4.29Å; K19-M22 HydrophobicContact CG-CE 4.12Å; M22-S24 VanDerWaalsContact C-N 3.33Å; M22-S24 PolarHBondContact O-N 2.93Å; M22-L25 PolarHBondContact O-N 2.91Å; M22-K26 WeakPolarHBondContact O-CB 3.4Å; M22-K26 PolarHBondContact O-N 3.05Å; M22-Q38 HydrophobicContact CE-CG 3.81Å; M22-Q38 HydrophobicContact SD-CG 4Å; M22-E39 HydrophobicContact CE-CG 4.45Å; M22-E39 HydrophobicContact SD-CG 4.19Å; M22-D52 HydrophobicContact CG-CB 4.03Å; M22-D52 HydrophobicContact SD-CB 3.68Å; M22-L53 HydrophobicContact CG-CD1 3.99Å; M22-L53 HydrophobicContact CG-CD2 3.83Å; M22-L53 HydrophobicContact CG-CG 3.79Å; M22-L53 HydrophobicContact SD-CD2 4.29Å; M22-L53 HydrophobicContact SD-CG 4.49Å; M22-T66 HydrophobicContact CB-CG2 3.94Å; M22-T66 HydrophobicContact CG-CG2 4.48Å
23G98.3Very high97.1Very high24 Ų2448.2 Ų48.225%0.24724%0.243CC..Hα-helixtrans-59.9-42.3176.700000112.4K19 T20 L21 L25 K26 E27K19-G23 PolarHBondContact O-N 2.79Å; T20-G23 PolarHBondContact O-N 2.82Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 2.87Å; G23-L25 PolarHBondContact O-N 2.86Å; G23-K26 WeakPolarHBondContact O-CB 3.38Å; G23-K26 PolarHBondContact O-N 3.43Å; G23-E27 WeakPolarHBondContact O-CG 3.43Å; G23-E27 PolarHBondContact O-N 3.2Å
24S98.2Very high97.3Very high27 Ų2746.5 Ų46.519%0.18923%0.233CC..Hα-helixtrans-62.1-44.2177.8-56.90000111.9T20 L21 M22 V28T20-S24 PolarHBondContact O-N 2.9Å; T20-S24 PolarHBondContact O-OG 2.91Å; L21-S24 WeakPolarHBondContact O-CB 3.47Å; L21-S24 PolarHBondContact O-N 2.82Å; M22-S24 VanDerWaalsContact C-N 3.33Å; M22-S24 PolarHBondContact O-N 2.93Å; S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.08Å
25L98.3Very high97.5Very high2 Ų249.5 Ų49.51%0.0126%0.255CS..Hα-helixtrans-66.1-43.2175.1178.461.9000112L21 M22 G23 E27 V28 A29 L53 V64 F108 L124L21-L25 PolarHBondContact O-N 3.2Å; L21-L25 VanDerWaalsContact O-N 3.09Å; M22-L25 PolarHBondContact O-N 2.91Å; G23-L25 PolarHBondContact O-N 2.86Å; L25-E27 PolarHBondContact O-N 3.01Å; L25-V28 PolarHBondContact O-N 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.34Å; L25-A29 PolarHBondContact O-N 3.01Å; L25-L53 HydrophobicContact CB-CD1 4.31Å; L25-L53 HydrophobicContact CD2-CD1 3.9Å; L25-L53 HydrophobicContact CG-CD1 4.08Å; L25-V64 HydrophobicContact CD2-CG1 3.75Å; L25-F108 HydrophobicContact CB-CD1 4.25Å; L25-F108 HydrophobicContact CB-CE1 4.18Å; L25-F108 HydrophobicContact CD1-CD2 4.21Å; L25-F108 HydrophobicContact CD1-CE2 4.08Å; L25-F108 HydrophobicContact CD1-CG 4.5Å; L25-F108 HydrophobicContact CD1-CZ 4.23Å; L25-F108 HydrophobicContact CD2-CB 3.76Å; L25-F108 HydrophobicContact CD2-CD1 3.94Å; L25-F108 HydrophobicContact CD2-CD2 4.09Å; L25-F108 HydrophobicContact CD2-CG 3.68Å; L25-L124 HydrophobicContact CD1-CD2 4.3Å
26K98.4Very high97.7Very high42 Ų4247.5 Ų47.518%0.18325%0.247CC..Hα-helixtrans-55.4-48.6176.8166.5-179.5175.7-172.40111.6M22 G23 V28 A29 K30 V36 L53M22-K26 WeakPolarHBondContact O-CB 3.4Å; M22-K26 PolarHBondContact O-N 3.05Å; G23-K26 WeakPolarHBondContact O-CB 3.38Å; G23-K26 PolarHBondContact O-N 3.43Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-V28 PolarHBondContact O-N 3.21Å; K26-A29 PolarHBondContact O-N 2.83Å; K26-K30 VanDerWaalsContact CE-CE 3.47Å; K26-K30 HydrophobicContact CG-CD 4.43Å; K26-K30 WeakPolarHBondContact O-CG 3.33Å; K26-K30 PolarHBondContact O-N 3.49Å; K26-V36 HydrophobicContact CB-CG1 4.39Å; K26-V36 HydrophobicContact CD-CG1 4.49Å; K26-V36 HydrophobicContact CG-CG1 3.92Å; K26-L53 HydrophobicContact CB-CD1 4.4Å; K26-L53 HydrophobicContact CB-CD2 4.14Å
27E98.2Very high97.8Very high77 Ų7746.4 Ų46.436%0.3624%0.244SC..Hα-helixtrans-68.4-34.7-177.9-68.5-52.6127.100112.2G23 L25 K30 R31G23-E27 WeakPolarHBondContact O-CG 3.43Å; G23-E27 PolarHBondContact O-N 3.2Å; L25-E27 PolarHBondContact O-N 3.01Å; E27-K30 IonicContact OE1-NZ 3.69Å; E27-K30 PolarHBondContact OE1-NZ 3.48Å; E27-R31 WeakPolarHBondContact O-CG 3.4Å; E27-R31 PolarHBondContact O-N 3.04Å; E27-R31 VanDerWaalsContact O-N 3.14Å
28V97.6Very high97.8Very high6 Ų648.9 Ų48.94%0.03626%0.256CS..Hα-helixtrans-62.1-48169.5169.20000111S24 L25 K26 R31 K32 I129 L131 M139S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 3.28Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-V28 PolarHBondContact O-N 3.21Å; V28-R31 PolarHBondContact O-N 3.24Å; V28-K32 WeakPolarHBondContact O-CG 3.35Å; V28-K32 PolarHBondContact O-N 3.14Å; V28-K32 VanDerWaalsContact O-N 3.15Å; V28-I129 HydrophobicContact CG1-CG2 3.46Å; V28-I129 VanDerWaalsContact CG1-CG2 3.46Å; V28-L131 HydrophobicContact CB-CD2 4.21Å; V28-L131 HydrophobicContact CG1-CD2 3.52Å; V28-L131 HydrophobicContact CG2-CD2 3.65Å; V28-M139 HydrophobicContact CG2-CE 3.95Å
29A97.8Very high97.7Very high0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-62.1-45.6-177.900000111.4L25 K26 R31 K32 G33 F34 V36 L55 I129L25-A29 WeakPolarHBondContact O-CB 3.34Å; L25-A29 PolarHBondContact O-N 3.01Å; K26-A29 PolarHBondContact O-N 2.83Å; A29-R31 PolarHBondContact O-N 3.29Å; A29-K32 CarbonylContact O-C 3.59Å; A29-K32 WeakPolarHBondContact O-CA 3.47Å; A29-K32 PolarHBondContact O-N 2.97Å; A29-G33 PolarHBondContact O-N 2.91Å; A29-F34 HydrophobicContact CB-CB 4.05Å; A29-F34 HydrophobicContact CB-CD2 4.25Å; A29-F34 HydrophobicContact CB-CG 4.29Å; A29-F34 WeakPolarHBondContact O-CB 3.36Å; A29-F34 WeakPolarHBondContact O-CD2 3.44Å; A29-F34 PolarHBondContact O-N 3.45Å; A29-V36 HydrophobicContact CB-CG2 3.96Å; A29-L55 HydrophobicContact CB-CD1 4.19Å; A29-L55 HydrophobicContact CB-CD2 3.9Å; A29-I129 HydrophobicContact CB-CD1 4.49Å
30K98Very high97.7Very high92 Ų9245.1 Ų45.140%0.424%0.242SC..Hα-helixtrans-56.5-48.6174.6-76.6178.2175174.50112.6K26 E27 K32 G33 V36K26-K30 VanDerWaalsContact CE-CE 3.47Å; K26-K30 HydrophobicContact CG-CD 4.43Å; K26-K30 WeakPolarHBondContact O-CG 3.33Å; K26-K30 PolarHBondContact O-N 3.49Å; E27-K30 IonicContact OE1-NZ 3.69Å; E27-K30 PolarHBondContact OE1-NZ 3.48Å; K30-K32 PolarHBondContact O-N 3.15Å; K30-K32 VanDerWaalsContact O-N 3.11Å; K30-G33 WeakPolarHBondContact O-CA 3.3Å; K30-G33 PolarHBondContact O-N 3.2Å; K30-V36 HydrophobicContact CG-CB 4.43Å; K30-V36 HydrophobicContact CG-CG2 3.89Å
31R96.8Very high97.5Very high157 Ų15749.5 Ų49.559%0.59226%0.259SS*.Hα-helixtrans-60.7-21.7176.5-74.5-170.8-63.1-96.31.7113.3E27 V28 A29 G33E27-R31 WeakPolarHBondContact O-CG 3.4Å; E27-R31 PolarHBondContact O-N 3.04Å; E27-R31 VanDerWaalsContact O-N 3.14Å; V28-R31 PolarHBondContact O-N 3.24Å; A29-R31 PolarHBondContact O-N 3.29Å; R31-G33 VanDerWaalsContact C-N 3.33Å
32K95.8Very high97.3Very high97 Ų9750.9 Ų50.942%0.42227%0.266SS..THydrogen-bonded Turntrans-93.512.7174-64.2-60.5-177.1-173.80113V28 A29 K30 F34 R57 I129V28-K32 WeakPolarHBondContact O-CG 3.35Å; V28-K32 PolarHBondContact O-N 3.14Å; V28-K32 VanDerWaalsContact O-N 3.15Å; A29-K32 CarbonylContact O-C 3.59Å; A29-K32 WeakPolarHBondContact O-CA 3.47Å; A29-K32 PolarHBondContact O-N 2.97Å; K30-K32 PolarHBondContact O-N 3.15Å; K30-K32 VanDerWaalsContact O-N 3.11Å; K32-F34 HydrophobicContact CB-CD2 4.15Å; K32-F34 HydrophobicContact CB-CE2 4.34Å; K32-R57 VanDerWaalsContact O-CD 3.24Å; K32-R57 WeakPolarHBondContact O-CD 3.43Å; K32-R57 PolarHBondContact O-NH1 3.44Å; K32-I129 HydrophobicContact CB-CG1 4.41Å; K32-I129 HydrophobicContact CG-CG1 4.3Å; K32-I129 HydrophobicContact CG-CG2 4.47Å
33G96.7Very high97.1Very high52 Ų5260.5 Ų60.554%0.53630%0.302SS..THydrogen-bonded Turntrans76.922.4175.200000114.1A29 K30 R31 R57A29-G33 PolarHBondContact O-N 2.91Å; K30-G33 WeakPolarHBondContact O-CA 3.3Å; K30-G33 PolarHBondContact O-N 3.2Å; R31-G33 VanDerWaalsContact C-N 3.33Å; G33-R57 WeakPolarHBondContact O-CG 3.47Å
34F98.2Very high96.7Very high10 Ų1061.3 Ų61.34%0.04430%0.299CS..  trans-80.1136.3168.6-73.8-97.2000110.5A29 K32 V36 L55 R56 R57 L127 I129A29-F34 HydrophobicContact CB-CB 4.05Å; A29-F34 HydrophobicContact CB-CD2 4.25Å; A29-F34 HydrophobicContact CB-CG 4.29Å; A29-F34 WeakPolarHBondContact O-CB 3.36Å; A29-F34 WeakPolarHBondContact O-CD2 3.44Å; A29-F34 PolarHBondContact O-N 3.45Å; K32-F34 HydrophobicContact CB-CD2 4.15Å; K32-F34 HydrophobicContact CB-CE2 4.34Å; F34-V36 HydrophobicContact CB-CG2 4.08Å; F34-L55 HydrophobicContact CD1-CB 3.59Å; F34-L55 HydrophobicContact CE1-CB 4.09Å; F34-L55 HydrophobicContact CG-CB 4.28Å; F34-R56 CarbonylContact C-O 3.56Å; F34-R56 WeakPolarHBondContact CA-O 3.37Å; F34-R57 HydrophobicContact CD1-CB 3.42Å; F34-R57 VanDerWaalsContact CD1-CB 3.42Å; F34-R57 HydrophobicContact CD2-CB 4.3Å; F34-R57 HydrophobicContact CE1-CB 3.55Å; F34-R57 HydrophobicContact CE2-CB 4.41Å; F34-R57 HydrophobicContact CG-CB 3.84Å; F34-R57 HydrophobicContact CZ-CB 4.05Å; F34-L127 HydrophobicContact CE1-CD2 4.39Å; F34-L127 HydrophobicContact CZ-CB 3.96Å; F34-L127 HydrophobicContact CZ-CD2 4.36Å; F34-L127 VanDerWaalsContact CZ-O 3.32Å; F34-L127 WeakPolarHBondContact CZ-O 3.47Å; F34-I129 HydrophobicContact CD2-CD1 4.38Å; F34-I129 HydrophobicContact CE2-CD1 3.85Å; F34-I129 HydrophobicContact CE2-CG1 3.9Å; F34-I129 HydrophobicContact CZ-CD1 4.43Å
35V98.1Very high96.3Very high101 Ų10168 Ų6861%0.61233%0.328SS*.EExtended strand (participates in β ladder)trans-75.2123.6157.8179.70000106.8R56V35-R56 HydrophobicContact CB-CB 4.37Å; V35-R56 PolarHBondContact N-O 3.34Å; V35-R56 PolarHBondContact O-N 2.9Å
36V98.4Very high95.9Very high28 Ų2877.4 Ų77.417%0.1737%0.372CS..EExtended strand (participates in β ladder)trans-116.7117.1-173.5-177.50000110.2K26 A29 K30 F34 L53 I54 L55K26-V36 HydrophobicContact CB-CG1 4.39Å; K26-V36 HydrophobicContact CD-CG1 4.49Å; K26-V36 HydrophobicContact CG-CG1 3.92Å; A29-V36 HydrophobicContact CB-CG2 3.96Å; K30-V36 HydrophobicContact CG-CB 4.43Å; K30-V36 HydrophobicContact CG-CG2 3.89Å; F34-V36 HydrophobicContact CB-CG2 4.08Å; V36-L53 HydrophobicContact CG1-CD2 3.79Å; V36-I54 WeakPolarHBondContact CA-O 3.44Å; V36-L55 HydrophobicContact CB-CD2 4.22Å; V36-L55 HydrophobicContact CG1-CD2 3.73Å; V36-L55 HydrophobicContact CG2-CD2 3.74Å
37T98Very high95.6Very high62 Ų6284.2 Ų84.238%0.3840%0.396SS..EExtended strand (participates in β ladder)trans-96.7120167.8-49.90000108.5P40 L53 I54T37-P40 HydrophobicContact CG2-CB 3.84Å; T37-P40 HydrophobicContact CG2-CG 4.22Å; T37-L53 WeakPolarHBondContact O-CA 3.43Å; T37-I54 PolarHBondContact N-O 2.73Å; T37-I54 PolarHBondContact O-N 2.69Å
38Q97.5Very high95.5Very high72 Ų7284.7 Ų84.734%0.33640%0.404SS..EExtended strand (participates in β ladder)trans-96.9137.6-179.8179.3-176.4-31.300110.6M22 P40 L53M22-Q38 HydrophobicContact CE-CG 3.81Å; M22-Q38 HydrophobicContact SD-CG 4Å; Q38-P40 VanDerWaalsContact C-N 3.3Å; Q38-L53 HydrophobicContact CB-CD2 4.22Å; Q38-L53 HydrophobicContact CG-CD2 4.28Å
39E96Very high95.4Very high37 Ų3785.3 Ų85.317%0.17341%0.407CS..SBendtrans48.741.4173.3-75.3-173.787.700113.9K19 M22 H41 K50 P51 D52K19-E39 IonicContact NZ-OE1 3.2Å; K19-E39 PolarHBondContact NZ-OE1 2.98Å; K19-E39 IonicContact NZ-OE2 2.77Å; K19-E39 PolarHBondContact NZ-OE2 3.41Å; M22-E39 HydrophobicContact CE-CG 4.45Å; M22-E39 HydrophobicContact SD-CG 4.19Å; E39-H41 PolarHBondContact O-CD2 3.38Å; E39-K50 VanDerWaalsContact CB-CE 3.45Å; E39-K50 WeakPolarHBondContact O-CE 3.48Å; E39-K50 WeakPolarHBondContact OE1-CE 3.5Å; E39-K50 IonicContact OE1-NZ 3.91Å; E39-K50 PolarHBondContact OE1-NZ 3.03Å; E39-P51 WeakPolarHBondContact CA-O 3.27Å; E39-D52 PolarHBondContact N-O 2.95Å
40P96.1Very high95.3Very high16 Ų1689 Ų8910%0.10442%0.423CS..  trans-63.9142.3-176.126.8-35.1000112T37 Q38 L42 K50 P51 I54T37-P40 HydrophobicContact CG2-CB 3.84Å; T37-P40 HydrophobicContact CG2-CG 4.22Å; Q38-P40 VanDerWaalsContact C-N 3.3Å; P40-L42 HydrophobicContact CB-CD2 4.29Å; P40-L42 HydrophobicContact CB-CG 4.23Å; P40-L42 HydrophobicContact CG-CG 4.47Å; P40-L42 PolarHBondContact O-N 2.82Å; P40-K50 WeakPolarHBondContact O-CA 3.43Å; P40-P51 WeakPolarHBondContact CD-O 3.32Å; P40-P51 HydrophobicContact CG-CG 3.97Å; P40-I54 HydrophobicContact CB-CD1 4.43Å; P40-I54 HydrophobicContact CG-CD1 3.63Å; P40-I54 HydrophobicContact CG-CG1 3.87Å
41H95.2Very high95.3Very high135 Ų13584.7 Ų84.763%0.62540%0.404SS*.  trans-9297.2172.7-69.6-101.7000109.2E39 V48E39-H41 PolarHBondContact O-CD2 3.38Å; H41-V48 HydrophobicContact CB-CG1 4.19Å
42L94.3Very high95.3Very high28 Ų2877.9 Ų77.915%0.14738%0.38CS..EExtended strand (participates in β ladder)trans-101.2116.2-179.1-61-177.4000110.2P40 L49 P51 I54 L90P40-L42 HydrophobicContact CB-CD2 4.29Å; P40-L42 HydrophobicContact CB-CG 4.23Å; P40-L42 HydrophobicContact CG-CG 4.47Å; P40-L42 PolarHBondContact O-N 2.82Å; L42-L49 PolarHBondContact N-O 3.41Å; L42-L49 PolarHBondContact O-N 3.29Å; L42-P51 HydrophobicContact CD1-CG 4.5Å; L42-I54 HydrophobicContact CD1-CD1 3.66Å; L42-L90 HydrophobicContact CB-CD2 3.99Å; L42-L90 HydrophobicContact CD1-CD1 3.79Å; L42-L90 HydrophobicContact CD1-CD2 3.87Å; L42-L90 HydrophobicContact CD1-CG 4.38Å
43R93Very high95.5Very high205 Ų20573.2 Ų73.277%0.77436%0.36SS*.EExtended strand (participates in β ladder)trans-75127169.9-67.9-177.6178.4171.9-0.5109.1V48 Q93R43-V48 HydrophobicContact CG-CG2 4.33Å; R43-Q93 PolarHBondContact O-NE2 3.45Å; R43-Q93 VanDerWaalsContact O-NE2 3.13Å; R43-Q93 PolarHBondContact O-OE1 3.43Å
44H90.8Very high95.5Very high42 Ų4271.1 Ų71.119%0.19434%0.336CS..EExtended strand (participates in β ladder)trans-137.5114.4172.4179.3-81.2000107.7E46 R47 L49 L90H44-E46 PolarHBondContact O-N 2.88Å; H44-R47 PolarHBondContact N-O 3.32Å; H44-R47 PolarHBondContact O-N 3.47Å; H44-R47 VanDerWaalsContact O-O 3.07Å; H44-L49 HydrophobicContact CB-CD1 4.06Å; H44-L49 HydrophobicContact CB-CG 4.5Å; H44-L90 HydrophobicContact CB-CD2 4.43Å
45E89.3Confident95.6Very high168 Ų16870.6 Ų70.679%0.78533%0.334SS*.THydrogen-bonded Turntrans52.9-127.1-170.1-58.5164.7170.500110R47E45-R47 VanDerWaalsContact C-N 3.34Å
46E90.2Very high95.5Very high199 Ų19969 Ų6993%0.9332%0.316SS*.THydrogen-bonded Turntrans-90.34.9179.2-59.5-177.9168.200113.3H44H44-E46 PolarHBondContact O-N 2.88Å
47R92.7Very high95.4Very high184 Ų18470.8 Ų70.869%0.69432%0.32SS*.EExtended strand (participates in β ladder)trans-113.9144.6-174.5-61-179.6-175.4178.22.3111.4H44 E45H44-R47 PolarHBondContact N-O 3.32Å; H44-R47 PolarHBondContact O-N 3.47Å; H44-R47 VanDerWaalsContact O-O 3.07Å; E45-R47 VanDerWaalsContact C-N 3.34Å
48V94.7Very high95.1Very high87 Ų8778.3 Ų78.353%0.52734%0.342SS..EExtended strand (participates in β ladder)trans-96.8113.2167.2-177.60000108.4H41 R43H41-V48 HydrophobicContact CB-CG1 4.19Å; R43-V48 HydrophobicContact CG-CG2 4.33Å
49L96.4Very high95Very high20 Ų2079.7 Ų79.711%0.10535%0.348CS..EExtended strand (participates in β ladder)trans-93.8129.5173-62.4179.8000109.3L42 H44 P51 Y87 L90L42-L49 PolarHBondContact N-O 3.41Å; L42-L49 PolarHBondContact O-N 3.29Å; H44-L49 HydrophobicContact CB-CD1 4.06Å; H44-L49 HydrophobicContact CB-CG 4.5Å; L49-P51 WeakPolarHBondContact O-CD 3.38Å; L49-Y87 HydrophobicContact CB-CD1 4.32Å; L49-Y87 HydrophobicContact CB-CE1 4.35Å; L49-L90 HydrophobicContact CB-CD1 4.23Å; L49-L90 HydrophobicContact CB-CD2 4.21Å; L49-L90 HydrophobicContact CB-CG 4.48Å; L49-L90 HydrophobicContact CD1-CD1 4.3Å; L49-L90 HydrophobicContact CD1-CD2 3.69Å; L49-L90 HydrophobicContact CD1-CG 3.77Å
50K95.8Very high95Very high78 Ų7881.4 Ų81.434%0.33935%0.353SS..  trans-124.678.1-178.4-168.9-176175.5-169.90110.5E39 P40 Y87E39-K50 VanDerWaalsContact CB-CE 3.45Å; E39-K50 WeakPolarHBondContact O-CE 3.48Å; E39-K50 WeakPolarHBondContact OE1-CE 3.5Å; E39-K50 IonicContact OE1-NZ 3.91Å; E39-K50 PolarHBondContact OE1-NZ 3.03Å; P40-K50 WeakPolarHBondContact O-CA 3.43Å; K50-Y87 PolarHBondContact O-OH 3.45Å; K50-Y87 VanDerWaalsContact O-OH 3.04Å
51P97.2Very high95Very high0 Ų080.7 Ų80.70%035%0.348CS..  trans-66.2155.5171.130.7-34.5000110.3E39 P40 L42 L49 I54 I63 D65 Y87 L90E39-P51 WeakPolarHBondContact CA-O 3.27Å; P40-P51 WeakPolarHBondContact CD-O 3.32Å; P40-P51 HydrophobicContact CG-CG 3.97Å; L42-P51 HydrophobicContact CD1-CG 4.5Å; L49-P51 WeakPolarHBondContact O-CD 3.38Å; P51-I54 HydrophobicContact CG-CD1 4.48Å; P51-I54 HydrophobicContact CG-CG1 4.37Å; P51-I63 HydrophobicContact CB-CG2 3.52Å; P51-I63 HydrophobicContact CG-CG2 3.88Å; P51-D65 WeakPolarHBondContact CA-OD1 3.26Å; P51-Y87 HydrophobicContact CB-CD1 4.12Å; P51-Y87 HydrophobicContact CB-CD2 4.41Å; P51-Y87 HydrophobicContact CB-CE1 3.94Å; P51-Y87 HydrophobicContact CB-CE2 4.25Å; P51-Y87 HydrophobicContact CB-CG 4.34Å; P51-L90 HydrophobicContact CG-CD1 4.07Å
52D97.9Very high95.2Very high14 Ų1474.2 Ų74.28%0.07532%0.318CS..SBendtrans-65.8-45.2178.6-72.2-27.6000113.1H18 M22 E39 D65 T66H18-D52 IonicContact CD2-OD1 3.87Å; H18-D52 IonicContact CD2-OD2 3.9Å; H18-D52 IonicContact CE1-OD1 2.76Å; H18-D52 IonicContact CE1-OD2 3.95Å; H18-D52 PolarHBondContact CE1-OD2 3.37Å; H18-D52 IonicContact NE2-OD1 3.71Å; H18-D52 PolarHBondContact NE2-OD1 3.48Å; H18-D52 IonicContact NE2-OD2 2.97Å; H18-D52 PolarHBondContact NE2-OD2 2.96Å; M22-D52 HydrophobicContact CG-CB 4.03Å; M22-D52 HydrophobicContact SD-CB 3.68Å; E39-D52 PolarHBondContact N-O 2.95Å; D52-D65 PolarHBondContact N-OD1 3.46Å; D52-T66 WeakPolarHBondContact OD2-CA 3.42Å; D52-T66 WeakPolarHBondContact OD2-CB 3.28Å; D52-T66 PolarHBondContact OD2-N 2.67Å; D52-T66 PolarHBondContact OD2-OG1 2.77Å
53L98.5Very high95.4Very high0 Ų073 Ų730%031%0.311CS..EExtended strand (participates in β ladder)trans-140.5140.4-174.9-60.6172.5000111.9M22 L25 K26 V36 T37 Q38 L55 I63 V64M22-L53 HydrophobicContact CG-CD1 3.99Å; M22-L53 HydrophobicContact CG-CD2 3.83Å; M22-L53 HydrophobicContact CG-CG 3.79Å; M22-L53 HydrophobicContact SD-CD2 4.29Å; M22-L53 HydrophobicContact SD-CG 4.49Å; L25-L53 HydrophobicContact CB-CD1 4.31Å; L25-L53 HydrophobicContact CD2-CD1 3.9Å; L25-L53 HydrophobicContact CG-CD1 4.08Å; K26-L53 HydrophobicContact CB-CD1 4.4Å; K26-L53 HydrophobicContact CB-CD2 4.14Å; V36-L53 HydrophobicContact CG1-CD2 3.79Å; T37-L53 WeakPolarHBondContact O-CA 3.43Å; Q38-L53 HydrophobicContact CB-CD2 4.22Å; Q38-L53 HydrophobicContact CG-CD2 4.28Å; L53-L55 HydrophobicContact CB-CD2 4.03Å; L53-L55 HydrophobicContact CB-CG 4.49Å; L53-L55 HydrophobicContact CD1-CD2 4.4Å; L53-I63 WeakPolarHBondContact O-CA 3.41Å; L53-V64 PolarHBondContact N-O 2.93Å; L53-V64 PolarHBondContact O-N 3.2Å
54I98.1Very high95.6Very high7 Ų763.2 Ų63.24%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-115.8118.8159.9-60.1-179.4000107.9V36 T37 P40 L42 P51 R56 I61 A62 I63V36-I54 WeakPolarHBondContact CA-O 3.44Å; T37-I54 PolarHBondContact N-O 2.73Å; T37-I54 PolarHBondContact O-N 2.69Å; P40-I54 HydrophobicContact CB-CD1 4.43Å; P40-I54 HydrophobicContact CG-CD1 3.63Å; P40-I54 HydrophobicContact CG-CG1 3.87Å; L42-I54 HydrophobicContact CD1-CD1 3.66Å; P51-I54 HydrophobicContact CG-CD1 4.48Å; P51-I54 HydrophobicContact CG-CG1 4.37Å; I54-R56 HydrophobicContact CG2-CG 4.08Å; I54-I61 HydrophobicContact CG2-CG2 3.82Å; I54-A62 CarbonylContact C-O 3.57Å; I54-A62 WeakPolarHBondContact CA-O 3.37Å; I54-I63 HydrophobicContact CG1-CG1 4.22Å
55L98.4Very high96Very high0 Ų061.5 Ų61.50%027%0.267CS..EExtended strand (participates in β ladder)trans-106122.3-178.9-46.7179.8000108.6A29 F34 V36 L53 I61 A62 V64 L127A29-L55 HydrophobicContact CB-CD1 4.19Å; A29-L55 HydrophobicContact CB-CD2 3.9Å; F34-L55 HydrophobicContact CD1-CB 3.59Å; F34-L55 HydrophobicContact CE1-CB 4.09Å; F34-L55 HydrophobicContact CG-CB 4.28Å; V36-L55 HydrophobicContact CB-CD2 4.22Å; V36-L55 HydrophobicContact CG1-CD2 3.73Å; V36-L55 HydrophobicContact CG2-CD2 3.74Å; L53-L55 HydrophobicContact CB-CD2 4.03Å; L53-L55 HydrophobicContact CB-CG 4.49Å; L53-L55 HydrophobicContact CD1-CD2 4.4Å; L55-I61 CarbonylContact O-C 3.35Å; L55-I61 WeakPolarHBondContact O-CA 3.32Å; L55-A62 HydrophobicContact CB-CB 4.32Å; L55-A62 PolarHBondContact N-O 2.97Å; L55-A62 PolarHBondContact O-N 2.98Å; L55-V64 HydrophobicContact CD1-CG2 4.06Å; L55-L127 HydrophobicContact CD1-CD1 3.87Å
56R97.6Very high96.4Very high66 Ų6653.5 Ų53.525%0.24923%0.23CC..EExtended strand (participates in β ladder)trans-120.5127.3179.9-56.2178.559.993.31.5110F34 V35 I54 I61 D98F34-R56 CarbonylContact C-O 3.56Å; F34-R56 WeakPolarHBondContact CA-O 3.37Å; V35-R56 HydrophobicContact CB-CB 4.37Å; V35-R56 PolarHBondContact N-O 3.34Å; V35-R56 PolarHBondContact O-N 2.9Å; I54-R56 HydrophobicContact CG2-CG 4.08Å; R56-I61 HydrophobicContact CG-CG1 4.27Å; R56-I61 HydrophobicContact CG-CG2 4.5Å; R56-D98 IonicContact CZ-OD1 3.43Å; R56-D98 IonicContact CZ-OD2 2.87Å; R56-D98 VanDerWaalsContact CZ-OD2 3.3Å; R56-D98 IonicContact NH1-OD1 2.83Å; R56-D98 IonicContact NH1-OD2 3.05Å; R56-D98 PolarHBondContact NH1-OD2 3.1Å; R56-D98 IonicContact NH2-OD1 2.7Å; R56-D98 PolarHBondContact NH2-OD1 2.99Å; R56-D98 IonicContact NH2-OD2 3.3Å; R56-D98 PolarHBondContact NH2-OD2 3.11Å
57R96.4Very high96.8Very high67 Ų6744.3 Ų44.325%0.25319%0.188SC..  trans-158.8125.5174-171.7179.871.9172.61.5110.5K32 G33 F34 R60 L127K32-R57 VanDerWaalsContact O-CD 3.24Å; K32-R57 WeakPolarHBondContact O-CD 3.43Å; K32-R57 PolarHBondContact O-NH1 3.44Å; G33-R57 WeakPolarHBondContact O-CG 3.47Å; F34-R57 HydrophobicContact CD1-CB 3.42Å; F34-R57 VanDerWaalsContact CD1-CB 3.42Å; F34-R57 HydrophobicContact CD2-CB 4.3Å; F34-R57 HydrophobicContact CE1-CB 3.55Å; F34-R57 HydrophobicContact CE2-CB 4.41Å; F34-R57 HydrophobicContact CG-CB 3.84Å; F34-R57 HydrophobicContact CZ-CB 4.05Å; R57-R60 PolarHBondContact N-O 3.03Å; R57-R60 PolarHBondContact O-N 3.14Å; R57-L127 PolarHBondContact NH2-O 3.44Å
58R91.4Very high97Very high219 Ų21936.2 Ų36.283%0.82616%0.159SC*.SBendtrans51.5-141.1-173-58.1175.8177.5176.9-3.1109.2R60 Y101R58-R60 PolarHBondContact O-N 3.4Å; R58-Y101 WeakPolarHBondContact O-CE1 3.46Å
59H94.3Very high97.1Very high102 Ų10232.8 Ų32.847%0.47214%0.138SC..SBendtrans-81.636.8-179.8-150.261.1000114.2G100 Y101 A102H59-G100 PolarHBondContact CD2-O 3.14Å; H59-G100 VanDerWaalsContact CE1-C 3.43Å; H59-G100 WeakPolarHBondContact NE2-CA 3.34Å; H59-G100 PolarHBondContact NE2-O 3.26Å; H59-Y101 AromaticContact CE1-CD2 3.29Å; H59-Y101 WeakPolarHBondContact CE1-CD2 3.43Å; H59-Y101 AromaticContact CE1-CE2 3.65Å; H59-Y101 AromaticContact CG-CD2 3.97Å; H59-Y101 AromaticContact ND1-CD2 3.1Å; H59-Y101 WeakPolarHBondContact ND1-CD2 3.45Å; H59-Y101 AromaticContact ND1-CE2 3.21Å; H59-Y101 WeakPolarHBondContact ND1-CE2 3.25Å; H59-Y101 AromaticContact ND1-CG 3.65Å; H59-Y101 AromaticContact ND1-CZ 3.85Å; H59-Y101 PolarHBondContact NE2-N 3.48Å; H59-A102 PolarHBondContact O-N 3.29Å
60R95.8Very high97.1Very high73 Ų7335.7 Ų35.728%0.27515%0.148SC..EExtended strand (participates in β ladder)trans-138.8135.6-176.4-171.2178.1-70.1-965.9112.4R57 R58 A102 L126R57-R60 PolarHBondContact N-O 3.03Å; R57-R60 PolarHBondContact O-N 3.14Å; R58-R60 PolarHBondContact O-N 3.4Å; R60-A102 WeakPolarHBondContact CA-O 3.46Å; R60-A102 HydrophobicContact CG-CB 4.46Å; R60-A102 WeakPolarHBondContact CG-O 3.3Å; R60-L126 VanDerWaalsContact CZ-O 3.25Å; R60-L126 PolarHBondContact NE-O 2.82Å; R60-L126 PolarHBondContact NH1-O 2.82Å
61I97.8Very high97Very high0 Ų032.2 Ų32.20%013%0.133CC..EExtended strand (participates in β ladder)trans-124.4132.1173.7-59.5162000107.7I54 L55 R56 Q94 D98 Y101 A102 I103 T104I54-I61 HydrophobicContact CG2-CG2 3.82Å; L55-I61 CarbonylContact O-C 3.35Å; L55-I61 WeakPolarHBondContact O-CA 3.32Å; R56-I61 HydrophobicContact CG-CG1 4.27Å; R56-I61 HydrophobicContact CG-CG2 4.5Å; I61-Q94 HydrophobicContact CD1-CB 4.35Å; I61-Q94 HydrophobicContact CG2-CG 4.45Å; I61-D98 HydrophobicContact CD1-CB 3.69Å; I61-D98 WeakPolarHBondContact CD1-OD2 3.19Å; I61-Y101 HydrophobicContact CD1-CD1 3.96Å; I61-Y101 HydrophobicContact CD1-CG 4.28Å; I61-Y101 HydrophobicContact CG1-CD1 3.89Å; I61-A102 PolarHBondContact N-O 3.39Å; I61-I103 HydrophobicContact CB-CG1 4.13Å; I61-I103 HydrophobicContact CD1-CG1 4.18Å; I61-I103 CarbonylContact O-C 3.44Å; I61-I103 VanDerWaalsContact O-CA 3.3Å; I61-I103 WeakPolarHBondContact O-CA 3.25Å; I61-T104 PolarHBondContact O-N 2.87Å
62A98.3Very high97Very high0 Ų034 Ų340%014%0.144CC..EExtended strand (participates in β ladder)trans-127.2119.517400000110.5I54 L55 V64 T104 L127I54-A62 CarbonylContact C-O 3.57Å; I54-A62 WeakPolarHBondContact CA-O 3.37Å; L55-A62 HydrophobicContact CB-CB 4.32Å; L55-A62 PolarHBondContact N-O 2.97Å; L55-A62 PolarHBondContact O-N 2.98Å; A62-V64 HydrophobicContact CB-CG2 4Å; A62-T104 CarbonylContact C-O 3.45Å; A62-T104 WeakPolarHBondContact CA-O 3.38Å; A62-L127 HydrophobicContact CB-CD1 4.5Å; A62-L127 HydrophobicContact CB-CD2 3.42Å; A62-L127 VanDerWaalsContact CB-CD2 3.42Å
63I98.4Very high96.9Very high1 Ų136.9 Ų36.91%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-90.6108.9171.1-57.6161000105.8P51 L53 I54 Y87 L90 Q94 T104 V105 D106P51-I63 HydrophobicContact CB-CG2 3.52Å; P51-I63 HydrophobicContact CG-CG2 3.88Å; L53-I63 WeakPolarHBondContact O-CA 3.41Å; I54-I63 HydrophobicContact CG1-CG1 4.22Å; I63-Y87 HydrophobicContact CG2-CG 4.49Å; I63-L90 HydrophobicContact CD1-CB 3.54Å; I63-L90 HydrophobicContact CD1-CD1 4.26Å; I63-L90 HydrophobicContact CG2-CD1 4.34Å; I63-Q94 HydrophobicContact CD1-CG 4.07Å; I63-T104 PolarHBondContact N-O 3.08Å; I63-V105 HydrophobicContact CB-CG2 4.19Å; I63-V105 HydrophobicContact CD1-CG2 3.95Å; I63-V105 WeakPolarHBondContact O-CA 3.35Å; I63-D106 PolarHBondContact O-N 3.48Å
64V98.5Very high96.9Very high1 Ų143 Ų431%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-120.1125.7-174-174.50000109.5L25 L53 L55 A62 D106 F108 L123L25-V64 HydrophobicContact CD2-CG1 3.75Å; L53-V64 PolarHBondContact N-O 2.93Å; L53-V64 PolarHBondContact O-N 3.2Å; L55-V64 HydrophobicContact CD1-CG2 4.06Å; A62-V64 HydrophobicContact CB-CG2 4Å; V64-D106 WeakPolarHBondContact CA-O 3.38Å; V64-F108 HydrophobicContact CG1-CB 3.78Å; V64-L123 HydrophobicContact CG1-CD2 3.9Å; V64-L123 HydrophobicContact CG2-CD1 4.4Å; V64-L123 HydrophobicContact CG2-CD2 4.24Å
65D98.2Very high96.9Very high5 Ų549.9 Ų49.93%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-118.4125.2178.3-159.487.2000109.8P51 D52 K83 Y87 D106 A107 F108P51-D65 WeakPolarHBondContact CA-OD1 3.26Å; D52-D65 PolarHBondContact N-OD1 3.46Å; D65-K83 HydrophobicContact CB-CB 4.37Å; D65-K83 HydrophobicContact CB-CD 3.97Å; D65-K83 HydrophobicContact CB-CG 4.31Å; D65-K83 VanDerWaalsContact OD2-CD 3.28Å; D65-K83 WeakPolarHBondContact OD2-CD 3.36Å; D65-K83 WeakPolarHBondContact OD2-CE 3.4Å; D65-K83 IonicContact OD2-NZ 3.06Å; D65-K83 PolarHBondContact OD2-NZ 3.34Å; D65-Y87 HydrophobicContact CB-CD2 4.1Å; D65-Y87 HydrophobicContact CB-CE2 3.56Å; D65-Y87 VanDerWaalsContact OD1-CE2 3.29Å; D65-Y87 WeakPolarHBondContact OD1-CE2 3.29Å; D65-Y87 PolarHBondContact OD1-OH 3.14Å; D65-D106 PolarHBondContact N-O 2.86Å; D65-D106 VanDerWaalsContact N-O 3.11Å; D65-A107 CarbonylContact O-C 3.52Å; D65-A107 WeakPolarHBondContact O-CA 3.44Å; D65-F108 PolarHBondContact O-N 2.71Å
66T98.1Very high96.9Very high0 Ų050.2 Ų50.20%022%0.219CC..EExtended strand (participates in β ladder)trans-79.8156.9-17563.70000111.7H18 M22 D52 K83 F108H18-T66 PolarHBondContact CE1-O 2.88Å; H18-T66 PolarHBondContact CE1-OG1 2.91Å; H18-T66 PolarHBondContact NE2-OG1 3.02Å; H18-T66 VanDerWaalsContact NE2-OG1 3.13Å; M22-T66 HydrophobicContact CB-CG2 3.94Å; M22-T66 HydrophobicContact CG-CG2 4.48Å; D52-T66 WeakPolarHBondContact OD2-CA 3.42Å; D52-T66 WeakPolarHBondContact OD2-CB 3.28Å; D52-T66 PolarHBondContact OD2-N 2.67Å; D52-T66 PolarHBondContact OD2-OG1 2.77Å; T66-K83 WeakPolarHBondContact O-CE 3.18Å; T66-K83 PolarHBondContact O-NZ 3.43Å; T66-F108 CarbonylContact C-O 3.59Å; T66-F108 WeakPolarHBondContact CA-O 3.22Å; T66-F108 HydrophobicContact CG2-CB 4.3Å; T66-F108 HydrophobicContact CG2-CD1 4.4Å
67A98Very high96.9Very high6 Ų649.2 Ų49.25%0.0523%0.225CC..EExtended strand (participates in β ladder)trans-147.6144.3175.900000111.1K83 F108 I109 V110A67-K83 HydrophobicContact CB-CD 4.3Å; A67-F108 PolarHBondContact N-O 3.37Å; A67-I109 HydrophobicContact CB-CD1 4.26Å; A67-I109 HydrophobicContact CB-CG1 3.83Å; A67-I109 HydrophobicContact CB-CG2 4.4Å; A67-I109 WeakPolarHBondContact O-CA 3.49Å; A67-V110 PolarHBondContact O-N 3.2Å
68V97.5Very high97Very high15 Ų1548.7 Ų48.79%0.09123%0.234CC..  trans-126.164.1172.5-165.90000111.1R17 L21 V110 A112 M143R17-V68 HydrophobicContact CG-CG1 4.33Å; R17-V68 HydrophobicContact CG-CG2 4.41Å; L21-V68 HydrophobicContact CD2-CG2 3.87Å; V68-V110 VanDerWaalsContact CA-O 3.31Å; V68-V110 WeakPolarHBondContact CA-O 3.32Å; V68-V110 WeakPolarHBondContact CG1-O 3.43Å; V68-A112 HydrophobicContact CG1-CB 4.34Å; V68-M143 HydrophobicContact CB-SD 4.5Å; V68-M143 HydrophobicContact CG1-CG 4.37Å; V68-M143 HydrophobicContact CG1-SD 3.94Å; V68-M143 HydrophobicContact CG2-SD 3.66Å
69P96.6Very high97.3Very high15 Ų1539.6 Ų39.610%0.09721%0.205CC..  trans-75.8175.2178.435.6-37.1000111.3R75 Y76 I109 G111 A112P69-R75 HydrophobicContact CB-CB 4.19Å; P69-Y76 HydrophobicContact CG-CD1 3.59Å; P69-Y76 HydrophobicContact CG-CE1 3.82Å; P69-I109 HydrophobicContact CG-CG2 3.66Å; P69-G111 CarbonylContact O-C 3.56Å; P69-G111 WeakPolarHBondContact O-CA 3.43Å; P69-A112 PolarHBondContact O-N 3.17Å
70W95.7Very high97.5Very high81 Ų8135 Ų3531%0.30718%0.183SC..  trans-66.2148.2168.5-167.2-116.9000111.3M1 T72 R75 Y76 A112 R113M1-W70 HydrophobicContact CE-CE3 4.49Å; M1-W70 HydrophobicContact CE-CH2 3.38Å; M1-W70 HydrophobicContact CE-CZ2 4.28Å; M1-W70 HydrophobicContact CE-CZ3 3.55Å; M1-W70 HydrophobicContact SD-CD2 4.42Å; M1-W70 HydrophobicContact SD-CE3 3.54Å; M1-W70 VanDerWaalsContact SD-CE3 3.54Å; M1-W70 HydrophobicContact SD-CH2 3.56Å; M1-W70 VanDerWaalsContact SD-CH2 3.56Å; M1-W70 HydrophobicContact SD-CZ2 4.42Å; M1-W70 HydrophobicContact SD-CZ3 3.06Å; M1-W70 WeakPolarHBondContact SD-CZ3 3.29Å; W70-T72 PolarHBondContact O-N 3.09Å; W70-R75 WeakPolarHBondContact O-CB 3.31Å; W70-Y76 WeakPolarHBondContact O-CE1 3.33Å; W70-A112 HydrophobicContact CE3-CB 4.03Å; W70-A112 HydrophobicContact CZ3-CB 4.36Å; W70-R113 HydrophobicContact CE3-CG 4.33Å; W70-R113 HydrophobicContact CH2-CG 3.59Å; W70-R113 HydrophobicContact CZ2-CG 4.31Å; W70-R113 HydrophobicContact CZ3-CG 3.57Å
71D95.5Very high97.6Very high5 Ų537.4 Ų37.43%0.02720%0.201CC..SBendtrans-78.460.7-164.6-57.150.4000113.3Y76 G111 A112 R113 G114 R115D71-Y76 WeakPolarHBondContact CA-OH 3.38Å; D71-G111 VanDerWaalsContact OD1-C 3.28Å; D71-G111 WeakPolarHBondContact OD1-CA 3.26Å; D71-G111 WeakPolarHBondContact OD2-CA 3.37Å; D71-A112 PolarHBondContact OD1-N 3.38Å; D71-R113 VanDerWaalsContact CG-N 3.32Å; D71-R113 PolarHBondContact OD1-N 3.42Å; D71-R113 VanDerWaalsContact OD2-C 3.29Å; D71-R113 WeakPolarHBondContact OD2-CA 3.31Å; D71-R113 WeakPolarHBondContact OD2-CB 3.49Å; D71-R113 PolarHBondContact OD2-N 3.17Å; D71-R113 VanDerWaalsContact OD2-N 3.15Å; D71-G114 PolarHBondContact OD2-N 3.06Å; D71-R115 HydrophobicContact CB-CB 3.95Å; D71-R115 WeakPolarHBondContact OD2-CB 3.48Å; D71-R115 PolarHBondContact OD2-N 3.21Å
72T95.9Very high97.6Very high36 Ų3643.3 Ų43.322%0.22123%0.228CC..SBendtrans-126.8147.3174.390.70000111.6W70 E74 R75 Y76W70-T72 PolarHBondContact O-N 3.09Å; T72-E74 WeakPolarHBondContact CB-OE2 3.46Å; T72-E74 PolarHBondContact O-N 2.81Å; T72-E74 PolarHBondContact OG1-OE2 3.03Å; T72-R75 PolarHBondContact O-N 3.16Å; T72-R75 WeakPolarHBondContact OG1-CG 3.46Å; T72-R75 PolarHBondContact OG1-N 3.13Å; T72-Y76 WeakPolarHBondContact O-CD1 3.36Å; T72-Y76 PolarHBondContact O-N 3.3Å; T72-Y76 VanDerWaalsContact O-N 3.08Å
73P96.8Very high97.6Very high76 Ų7644.9 Ų44.949%0.49424%0.235SC..Hα-helixtrans-55-38.8177.6-2635.7000113.6Y76 A77P73-Y76 PolarHBondContact O-N 2.72Å; P73-A77 WeakPolarHBondContact O-CB 3.27Å; P73-A77 PolarHBondContact O-N 3.22Å
74E97.8Very high97.6Very high128 Ų12850.2 Ų50.260%0.59826%0.255SS*.Hα-helixtrans-66.6-42.9-178.2-52.269.4-144.200110.4T72 Y76 A77 A78T72-E74 WeakPolarHBondContact CB-OE2 3.46Å; T72-E74 PolarHBondContact O-N 2.81Å; T72-E74 PolarHBondContact OG1-OE2 3.03Å; E74-Y76 VanDerWaalsContact C-N 3.34Å; E74-Y76 PolarHBondContact O-N 2.89Å; E74-A77 PolarHBondContact O-N 3.3Å; E74-A78 VanDerWaalsContact O-CB 3.29Å; E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 3.29Å
75R97.4Very high97.6Very high151 Ų15153.2 Ų53.257%0.5728%0.28SS*.Hα-helixtrans-68.9-33.5178.1-67.7-65.8-177.1-179.7-1.1112P69 W70 T72 S79P69-R75 HydrophobicContact CB-CB 4.19Å; W70-R75 WeakPolarHBondContact O-CB 3.31Å; T72-R75 PolarHBondContact O-N 3.16Å; T72-R75 WeakPolarHBondContact OG1-CG 3.46Å; T72-R75 PolarHBondContact OG1-N 3.13Å; R75-S79 VanDerWaalsContact O-CB 3.26Å; R75-S79 WeakPolarHBondContact O-CB 3.02Å; R75-S79 PolarHBondContact O-N 2.84Å; R75-S79 PolarHBondContact O-OG 3.02Å
76Y98.2Very high97.5Very high8 Ų857.6 Ų57.63%0.03130%0.299CS..Hα-helixtrans-67.4-47.4173.7-65.2-1.6000110.7P69 W70 D71 T72 P73 E74 S79 R80 I109 G111 R115 D117P69-Y76 HydrophobicContact CG-CD1 3.59Å; P69-Y76 HydrophobicContact CG-CE1 3.82Å; W70-Y76 WeakPolarHBondContact O-CE1 3.33Å; D71-Y76 WeakPolarHBondContact CA-OH 3.38Å; T72-Y76 WeakPolarHBondContact O-CD1 3.36Å; T72-Y76 PolarHBondContact O-N 3.3Å; T72-Y76 VanDerWaalsContact O-N 3.08Å; P73-Y76 PolarHBondContact O-N 2.72Å; E74-Y76 VanDerWaalsContact C-N 3.34Å; E74-Y76 PolarHBondContact O-N 2.89Å; Y76-S79 PolarHBondContact O-N 3.44Å; Y76-R80 VanDerWaalsContact O-CB 3.32Å; Y76-R80 WeakPolarHBondContact O-CB 3.28Å; Y76-R80 PolarHBondContact O-N 3.18Å; Y76-I109 HydrophobicContact CD1-CG2 3.82Å; Y76-I109 HydrophobicContact CE1-CG2 4.11Å; Y76-I109 HydrophobicContact CG-CG2 4.19Å; Y76-I109 WeakPolarHBondContact O-CD1 3.47Å; Y76-G111 VanDerWaalsContact OH-CA 3.31Å; Y76-G111 WeakPolarHBondContact OH-CA 3.42Å; Y76-G111 PolarHBondContact OH-N 2.97Å; Y76-R115 WeakPolarHBondContact OH-CB 3.46Å; Y76-R115 PolarHBondContact OH-O 2.76Å; Y76-D117 HydrophobicContact CD2-CB 3.67Å; Y76-D117 HydrophobicContact CE2-CB 3.96Å; Y76-D117 HydrophobicContact CG-CB 4.25Å
77A98.3Very high97.5Very high45 Ų4557.7 Ų57.737%0.37230%0.299SS..Hα-helixtrans-59.8-48.5177.100000111.6P73 E74 R80 L81P73-A77 WeakPolarHBondContact O-CB 3.27Å; P73-A77 PolarHBondContact O-N 3.22Å; E74-A77 PolarHBondContact O-N 3.3Å; A77-R80 PolarHBondContact O-N 3.01Å; A77-L81 VanDerWaalsContact O-CB 3.31Å; A77-L81 WeakPolarHBondContact O-CB 3.39Å; A77-L81 PolarHBondContact O-N 2.76Å
78A98.3Very high97.4Very high55 Ų5560.2 Ų60.246%0.45532%0.316SS..Hα-helixtrans-61.8-46.2178.400000112.1E74 R80 L81 H82E74-A78 VanDerWaalsContact O-CB 3.29Å; E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 3.29Å; A78-R80 VanDerWaalsContact C-N 3.35Å; A78-R80 PolarHBondContact O-N 3.14Å; A78-L81 PolarHBondContact O-N 3.26Å; A78-H82 VanDerWaalsContact O-CB 3.3Å; A78-H82 WeakPolarHBondContact O-CB 3.44Å; A78-H82 PolarHBondContact O-N 2.95Å
79S98Very high97.3Very high29 Ų2961.2 Ų61.220%0.20333%0.326CS..Hα-helixtrans-62.1-42.5178.7-60.50000111.9R75 Y76 K83R75-S79 VanDerWaalsContact O-CB 3.26Å; R75-S79 WeakPolarHBondContact O-CB 3.02Å; R75-S79 PolarHBondContact O-N 2.84Å; R75-S79 PolarHBondContact O-OG 3.02Å; Y76-S79 PolarHBondContact O-N 3.44Å; S79-K83 WeakPolarHBondContact O-CG 3.42Å; S79-K83 PolarHBondContact O-N 3.4Å; S79-K83 VanDerWaalsContact O-N 3.1Å
80R98.4Very high97.2Very high6 Ų660.5 Ų60.52%0.02332%0.321CS..Hα-helixtrans-67.2-45.7178.2-173.2173.6-64.3-85.4-5.3111.7Y76 A77 A78 K83 R84 D106 A107 I109 D117 N120Y76-R80 VanDerWaalsContact O-CB 3.32Å; Y76-R80 WeakPolarHBondContact O-CB 3.28Å; Y76-R80 PolarHBondContact O-N 3.18Å; A77-R80 PolarHBondContact O-N 3.01Å; A78-R80 VanDerWaalsContact C-N 3.35Å; A78-R80 PolarHBondContact O-N 3.14Å; R80-K83 PolarHBondContact O-N 3.41Å; R80-R84 WeakPolarHBondContact O-CB 3.4Å; R80-R84 VanDerWaalsContact O-CG 3.32Å; R80-R84 WeakPolarHBondContact O-CG 3.32Å; R80-R84 PolarHBondContact O-N 3.35Å; R80-D106 WeakPolarHBondContact CD-OD1 3.43Å; R80-D106 WeakPolarHBondContact CG-OD1 3.34Å; R80-D106 IonicContact CZ-OD1 3.86Å; R80-D106 IonicContact NE-OD1 2.8Å; R80-D106 IonicContact NH1-OD1 3.02Å; R80-D106 PolarHBondContact NH1-OD1 2.68Å; R80-D106 IonicContact NH1-OD2 3.33Å; R80-D106 PolarHBondContact NH1-OD2 2.91Å; R80-A107 HydrophobicContact CB-CB 4.13Å; R80-A107 HydrophobicContact CG-CB 4.02Å; R80-A107 VanDerWaalsContact CZ-O 3.24Å; R80-A107 PolarHBondContact NH1-O 3.07Å; R80-A107 PolarHBondContact NH2-O 2.9Å; R80-A107 VanDerWaalsContact NH2-O 3.14Å; R80-I109 HydrophobicContact CB-CD1 3.98Å; R80-D117 IonicContact CZ-OD2 3.67Å; R80-D117 IonicContact NE-OD2 3.96Å; R80-D117 PolarHBondContact NE-OD2 3.04Å; R80-D117 IonicContact NH2-OD2 2.69Å; R80-D117 PolarHBondContact NH2-OD2 3.08Å; R80-N120 PolarHBondContact NH2-OD1 3.49Å; R80-N120 VanDerWaalsContact NH2-OD1 3.07Å
81L98.4Very high97.3Very high123 Ų12359 Ų5964%0.64432%0.319SS*.Hα-helixtrans-60.1-48.3177.5179.261.6000111A77 A78 K83 R84 A85A77-L81 VanDerWaalsContact O-CB 3.31Å; A77-L81 WeakPolarHBondContact O-CB 3.39Å; A77-L81 PolarHBondContact O-N 2.76Å; A78-L81 PolarHBondContact O-N 3.26Å; L81-K83 PolarHBondContact O-N 2.96Å; L81-R84 PolarHBondContact O-N 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.14Å; L81-A85 PolarHBondContact O-N 3.01Å
82H98.3Very high97.2Very high124 Ų12461.7 Ų61.757%0.57434%0.341SS*.Hα-helixtrans-57.3-48.9178176.176.4000112.1A78 A85 K86A78-H82 VanDerWaalsContact O-CB 3.3Å; A78-H82 WeakPolarHBondContact O-CB 3.44Å; A78-H82 PolarHBondContact O-N 2.95Å; H82-A85 PolarHBondContact O-N 3.21Å; H82-K86 VanDerWaalsContact O-CB 3.31Å; H82-K86 WeakPolarHBondContact O-CB 3.48Å; H82-K86 PolarHBondContact O-N 3.42Å
83K98.1Very high97Very high32 Ų3262.9 Ų62.914%0.13935%0.345CS..Hα-helixtrans-66.8-38.9-179.9-70.2172-173.9-67.80112.4D65 T66 A67 S79 R80 L81 K86 Y87 A107D65-K83 HydrophobicContact CB-CB 4.37Å; D65-K83 HydrophobicContact CB-CD 3.97Å; D65-K83 HydrophobicContact CB-CG 4.31Å; D65-K83 VanDerWaalsContact OD2-CD 3.28Å; D65-K83 WeakPolarHBondContact OD2-CD 3.36Å; D65-K83 WeakPolarHBondContact OD2-CE 3.4Å; D65-K83 IonicContact OD2-NZ 3.06Å; D65-K83 PolarHBondContact OD2-NZ 3.34Å; T66-K83 WeakPolarHBondContact O-CE 3.18Å; T66-K83 PolarHBondContact O-NZ 3.43Å; A67-K83 HydrophobicContact CB-CD 4.3Å; S79-K83 WeakPolarHBondContact O-CG 3.42Å; S79-K83 PolarHBondContact O-N 3.4Å; S79-K83 VanDerWaalsContact O-N 3.1Å; R80-K83 PolarHBondContact O-N 3.41Å; L81-K83 PolarHBondContact O-N 2.96Å; K83-K86 PolarHBondContact O-N 3.48Å; K83-Y87 WeakPolarHBondContact O-CD2 3.35Å; K83-Y87 PolarHBondContact O-N 3.29Å; K83-Y87 VanDerWaalsContact O-N 3.14Å; K83-A107 HydrophobicContact CB-CB 4.4Å; K83-A107 HydrophobicContact CD-CB 3.91Å
84R98.2Very high96.9Very high114 Ų11460.5 Ų60.543%0.4333%0.327SS..Hα-helixtrans-61.4-46.5173.3-76179.4177.1-158.8-3.7111.9R80 L81 Y87 S88 D106R80-R84 WeakPolarHBondContact O-CB 3.4Å; R80-R84 VanDerWaalsContact O-CG 3.32Å; R80-R84 WeakPolarHBondContact O-CG 3.32Å; R80-R84 PolarHBondContact O-N 3.35Å; L81-R84 PolarHBondContact O-N 3.24Å; R84-Y87 PolarHBondContact O-N 3.02Å; R84-S88 VanDerWaalsContact O-CB 3.29Å; R84-S88 WeakPolarHBondContact O-CB 3.39Å; R84-S88 PolarHBondContact O-N 2.84Å; R84-D106 IonicContact CZ-OD1 3.45Å; R84-D106 IonicContact CZ-OD2 3.26Å; R84-D106 IonicContact NE-OD1 3.37Å; R84-D106 PolarHBondContact NE-OD1 3.22Å; R84-D106 IonicContact NE-OD2 3.94Å; R84-D106 IonicContact NH2-OD1 2.71Å; R84-D106 PolarHBondContact NH2-OD1 3.27Å; R84-D106 IonicContact NH2-OD2 2.55Å; R84-D106 PolarHBondContact NH2-OD2 2.95Å
85A97.9Very high96.8Very high64 Ų6461 Ų6153%0.52932%0.324SS..Hα-helixtrans-63.9-40.9177.200000111.8L81 H82 Y87 S88L81-A85 WeakPolarHBondContact O-CB 3.14Å; L81-A85 PolarHBondContact O-N 3.01Å; H82-A85 PolarHBondContact O-N 3.21Å; A85-Y87 VanDerWaalsContact C-N 3.34Å; A85-Y87 PolarHBondContact O-N 3.13Å; A85-S88 PolarHBondContact O-OG 2.55Å; A85-S88 VanDerWaalsContact O-OG 3.08Å
86K96.9Very high96.6Very high96 Ų9662.4 Ų62.442%0.41733%0.333SS..Hα-helixtrans-61.8-38.3179.7-175.1-178.9177.8-164.90113H82 K83H82-K86 VanDerWaalsContact O-CB 3.31Å; H82-K86 WeakPolarHBondContact O-CB 3.48Å; H82-K86 PolarHBondContact O-N 3.42Å; K83-K86 PolarHBondContact O-N 3.48Å
87Y97.7Very high96.3Very high3 Ų364.8 Ų64.81%0.01236%0.36CS..Hα-helixtrans-111.44-172.7-57.6-58.5000114.2L49 K50 P51 I63 D65 K83 R84 A85 A89 L90L49-Y87 HydrophobicContact CB-CD1 4.32Å; L49-Y87 HydrophobicContact CB-CE1 4.35Å; K50-Y87 PolarHBondContact O-OH 3.45Å; K50-Y87 VanDerWaalsContact O-OH 3.04Å; P51-Y87 HydrophobicContact CB-CD1 4.12Å; P51-Y87 HydrophobicContact CB-CD2 4.41Å; P51-Y87 HydrophobicContact CB-CE1 3.94Å; P51-Y87 HydrophobicContact CB-CE2 4.25Å; P51-Y87 HydrophobicContact CB-CG 4.34Å; I63-Y87 HydrophobicContact CG2-CG 4.49Å; D65-Y87 HydrophobicContact CB-CD2 4.1Å; D65-Y87 HydrophobicContact CB-CE2 3.56Å; D65-Y87 VanDerWaalsContact OD1-CE2 3.29Å; D65-Y87 WeakPolarHBondContact OD1-CE2 3.29Å; D65-Y87 PolarHBondContact OD1-OH 3.14Å; K83-Y87 WeakPolarHBondContact O-CD2 3.35Å; K83-Y87 PolarHBondContact O-N 3.29Å; K83-Y87 VanDerWaalsContact O-N 3.14Å; R84-Y87 PolarHBondContact O-N 3.02Å; A85-Y87 VanDerWaalsContact C-N 3.34Å; A85-Y87 PolarHBondContact O-N 3.13Å; Y87-A89 PolarHBondContact O-N 3.09Å; Y87-L90 HydrophobicContact CD1-CD1 3.86Å; Y87-L90 HydrophobicContact CG-CD1 4.38Å; Y87-L90 WeakPolarHBondContact O-CB 3.4Å; Y87-L90 PolarHBondContact O-N 3.11Å; Y87-L90 VanDerWaalsContact O-N 3.08Å
88S96.3Very high96.1Very high59 Ų5963.9 Ų63.941%0.41335%0.349SS..THydrogen-bonded Turntrans-58.1-36.617856.60000112.3R84 A85 L90 I91R84-S88 VanDerWaalsContact O-CB 3.29Å; R84-S88 WeakPolarHBondContact O-CB 3.39Å; R84-S88 PolarHBondContact O-N 2.84Å; A85-S88 PolarHBondContact O-OG 2.55Å; A85-S88 VanDerWaalsContact O-OG 3.08Å; S88-L90 PolarHBondContact O-N 3.06Å; S88-I91 VanDerWaalsContact O-CB 3.27Å; S88-I91 WeakPolarHBondContact O-CB 3.21Å; S88-I91 VanDerWaalsContact O-CG1 3.26Å; S88-I91 WeakPolarHBondContact O-CG1 3.28Å; S88-I91 PolarHBondContact O-N 3.37Å
89A94.4Very high95.8Very high35 Ų3565.8 Ų65.829%0.28936%0.357SS..THydrogen-bonded Turntrans-59-30177.500000113Y87 I91 A92Y87-A89 PolarHBondContact O-N 3.09Å; A89-I91 PolarHBondContact O-N 3.35Å; A89-A92 PolarHBondContact O-N 3.32Å
90L95.9Very high95.6Very high0 Ų067.1 Ų67.10%038%0.376CS..Hα-helixtrans-67.9-16.6177.5-62.3179.9000112.9L42 H44 L49 P51 I63 Y87 S88 Q93 Q94L42-L90 HydrophobicContact CB-CD2 3.99Å; L42-L90 HydrophobicContact CD1-CD1 3.79Å; L42-L90 HydrophobicContact CD1-CD2 3.87Å; L42-L90 HydrophobicContact CD1-CG 4.38Å; H44-L90 HydrophobicContact CB-CD2 4.43Å; L49-L90 HydrophobicContact CB-CD1 4.23Å; L49-L90 HydrophobicContact CB-CD2 4.21Å; L49-L90 HydrophobicContact CB-CG 4.48Å; L49-L90 HydrophobicContact CD1-CD1 4.3Å; L49-L90 HydrophobicContact CD1-CD2 3.69Å; L49-L90 HydrophobicContact CD1-CG 3.77Å; P51-L90 HydrophobicContact CG-CD1 4.07Å; I63-L90 HydrophobicContact CD1-CB 3.54Å; I63-L90 HydrophobicContact CD1-CD1 4.26Å; I63-L90 HydrophobicContact CG2-CD1 4.34Å; Y87-L90 HydrophobicContact CD1-CD1 3.86Å; Y87-L90 HydrophobicContact CG-CD1 4.38Å; Y87-L90 WeakPolarHBondContact O-CB 3.4Å; Y87-L90 PolarHBondContact O-N 3.11Å; Y87-L90 VanDerWaalsContact O-N 3.08Å; S88-L90 PolarHBondContact O-N 3.06Å; L90-Q93 PolarHBondContact O-N 2.8Å; L90-Q94 VanDerWaalsContact O-CG 3.31Å; L90-Q94 WeakPolarHBondContact O-CG 3.44Å; L90-Q94 PolarHBondContact O-N 3.1Å
91I96.2Very high95.5Very high51 Ų5170 Ų7026%0.26239%0.387SS..Hα-helixtrans-60.3-48.7177-64.3172.4000110.4S88 A89 Q93 Q94 R95 I103 V105S88-I91 VanDerWaalsContact O-CB 3.27Å; S88-I91 WeakPolarHBondContact O-CB 3.21Å; S88-I91 VanDerWaalsContact O-CG1 3.26Å; S88-I91 WeakPolarHBondContact O-CG1 3.28Å; S88-I91 PolarHBondContact O-N 3.37Å; A89-I91 PolarHBondContact O-N 3.35Å; I91-Q93 VanDerWaalsContact C-N 3.33Å; I91-Q93 PolarHBondContact O-N 2.89Å; I91-Q94 PolarHBondContact O-N 2.91Å; I91-R95 WeakPolarHBondContact O-CB 3.27Å; I91-R95 PolarHBondContact O-N 3.27Å; I91-I103 HydrophobicContact CB-CG2 4.35Å; I91-I103 HydrophobicContact CG1-CG2 4.09Å; I91-I103 HydrophobicContact CG2-CB 4.27Å; I91-I103 HydrophobicContact CG2-CG2 4.21Å; I91-I103 WeakPolarHBondContact O-CD1 3.36Å; I91-V105 HydrophobicContact CD1-CG2 3.82Å; I91-V105 HydrophobicContact CG1-CG2 3.52Å
92A93.5Very high95.4Very high60 Ų6066.1 Ų66.150%0.49637%0.373SS..Hα-helixtrans-64.6-40.5179.700000111.2A89 R95 K96A89-A92 PolarHBondContact O-N 3.32Å; A92-R95 PolarHBondContact O-N 3.09Å; A92-K96 WeakPolarHBondContact O-CG 3.46Å; A92-K96 PolarHBondContact O-N 3.29Å; A92-K96 VanDerWaalsContact O-N 3.17Å
93Q93.1Very high95.3Very high62 Ų6261.2 Ų61.229%0.2935%0.35SS..Hα-helixtrans-61.2-48.2176.7-177.9175.1-1.200112.2R43 L90 I91 R95 K96R43-Q93 PolarHBondContact O-NE2 3.45Å; R43-Q93 VanDerWaalsContact O-NE2 3.13Å; R43-Q93 PolarHBondContact O-OE1 3.43Å; L90-Q93 PolarHBondContact O-N 2.8Å; I91-Q93 VanDerWaalsContact C-N 3.33Å; I91-Q93 PolarHBondContact O-N 2.89Å; Q93-R95 VanDerWaalsContact C-N 3.33Å; Q93-R95 PolarHBondContact O-N 2.94Å; Q93-K96 PolarHBondContact O-N 3.15Å
94Q94.3Very high95.3Very high26 Ų2660.9 Ų60.912%0.12135%0.351CS..Hα-helixtrans-65.9-36.9177.2-65.1-57.4-58.100111.5I61 I63 L90 I91 K96 G97 D98 I103I61-Q94 HydrophobicContact CD1-CB 4.35Å; I61-Q94 HydrophobicContact CG2-CG 4.45Å; I63-Q94 HydrophobicContact CD1-CG 4.07Å; L90-Q94 VanDerWaalsContact O-CG 3.31Å; L90-Q94 WeakPolarHBondContact O-CG 3.44Å; L90-Q94 PolarHBondContact O-N 3.1Å; I91-Q94 PolarHBondContact O-N 2.91Å; Q94-K96 VanDerWaalsContact C-N 3.29Å; Q94-K96 PolarHBondContact O-N 3.06Å; Q94-G97 PolarHBondContact O-N 3.15Å; Q94-D98 PolarHBondContact O-N 3.25Å; Q94-I103 HydrophobicContact CB-CD1 3.83Å; Q94-I103 HydrophobicContact CB-CG1 4.31Å; Q94-I103 HydrophobicContact CB-CG2 4.42Å
95R94.6Very high95.3Very high139 Ų13956.1 Ų56.153%0.52534%0.335SS..Hα-helixtrans-64.6-30.4179.9-171.3170.4-74.3175.5-3.1113.5I91 A92 Q93 D98 I103I91-R95 WeakPolarHBondContact O-CB 3.27Å; I91-R95 PolarHBondContact O-N 3.27Å; A92-R95 PolarHBondContact O-N 3.09Å; Q93-R95 VanDerWaalsContact C-N 3.33Å; Q93-R95 PolarHBondContact O-N 2.94Å; R95-D98 CarbonylContact O-C 3.53Å; R95-D98 PolarHBondContact O-N 3.4Å; R95-I103 HydrophobicContact CB-CD1 3.62Å; R95-I103 HydrophobicContact CG-CD1 4.4Å; R95-I103 VanDerWaalsContact N-CD1 3.32Å
96K93.4Very high95.3Very high179 Ų17953.5 Ų53.578%0.77831%0.312SS*.Hα-helixtrans-65.3-41.5175-72.8178.6-179.7-176.30112.1A92 Q93 Q94A92-K96 WeakPolarHBondContact O-CG 3.46Å; A92-K96 PolarHBondContact O-N 3.29Å; A92-K96 VanDerWaalsContact O-N 3.17Å; Q93-K96 PolarHBondContact O-N 3.15Å; Q94-K96 VanDerWaalsContact C-N 3.29Å; Q94-K96 PolarHBondContact O-N 3.06Å
97G92.2Very high95.4Very high58 Ų5848.9 Ų48.960%0.59829%0.292SS*.Hα-helixtrans-78.3-24.7177.600000113.5Q94Q94-G97 PolarHBondContact O-N 3.15Å
98D93.3Very high95.4Very high26 Ų2648.8 Ų48.814%0.13929%0.291CS..SBendtrans-134.269.2-175-63.8-75.8000112.4R56 I61 Q94 R95 G100 Y101R56-D98 IonicContact CZ-OD1 3.43Å; R56-D98 IonicContact CZ-OD2 2.87Å; R56-D98 VanDerWaalsContact CZ-OD2 3.3Å; R56-D98 IonicContact NH1-OD1 2.83Å; R56-D98 IonicContact NH1-OD2 3.05Å; R56-D98 PolarHBondContact NH1-OD2 3.1Å; R56-D98 IonicContact NH2-OD1 2.7Å; R56-D98 PolarHBondContact NH2-OD1 2.99Å; R56-D98 IonicContact NH2-OD2 3.3Å; R56-D98 PolarHBondContact NH2-OD2 3.11Å; I61-D98 HydrophobicContact CD1-CB 3.69Å; I61-D98 WeakPolarHBondContact CD1-OD2 3.19Å; Q94-D98 PolarHBondContact O-N 3.25Å; R95-D98 CarbonylContact O-C 3.53Å; R95-D98 PolarHBondContact O-N 3.4Å; D98-G100 PolarHBondContact O-N 3.47Å; D98-Y101 HydrophobicContact CB-CD1 4.26Å; D98-Y101 HydrophobicContact CB-CD2 3.66Å; D98-Y101 HydrophobicContact CB-CE2 4.16Å; D98-Y101 HydrophobicContact CB-CG 3.73Å; D98-Y101 WeakPolarHBondContact O-CB 3.24Å; D98-Y101 PolarHBondContact O-N 3.33Å; D98-Y101 VanDerWaalsContact O-N 3.17Å
99P92.6Very high95.5Very high95 Ų9546 Ų4662%0.61727%0.272SS*.THydrogen-bonded Turntrans-54.5138.2177.8-2635.4000112.5Y101P99-Y101 VanDerWaalsContact C-N 3.26Å; P99-Y101 PolarHBondContact O-N 2.98Å
100G93.1Very high95.7Very high58 Ų5844.3 Ų44.360%0.59826%0.258SS*.THydrogen-bonded Turntrans84-23.8-177.400000115.1H59 D98 A102H59-G100 PolarHBondContact CD2-O 3.14Å; H59-G100 VanDerWaalsContact CE1-C 3.43Å; H59-G100 WeakPolarHBondContact NE2-CA 3.34Å; H59-G100 PolarHBondContact NE2-O 3.26Å; D98-G100 PolarHBondContact O-N 3.47Å; G100-A102 PolarHBondContact O-N 3.43Å
101Y96.4Very high95.8Very high66 Ų6644.3 Ų44.326%0.25926%0.258SS..  trans-62.1138.3-173-81.2-124000111.9R58 H59 I61 D98 P99 I103R58-Y101 WeakPolarHBondContact O-CE1 3.46Å; H59-Y101 AromaticContact CE1-CD2 3.29Å; H59-Y101 WeakPolarHBondContact CE1-CD2 3.43Å; H59-Y101 AromaticContact CE1-CE2 3.65Å; H59-Y101 AromaticContact CG-CD2 3.97Å; H59-Y101 AromaticContact ND1-CD2 3.1Å; H59-Y101 WeakPolarHBondContact ND1-CD2 3.45Å; H59-Y101 AromaticContact ND1-CE2 3.21Å; H59-Y101 WeakPolarHBondContact ND1-CE2 3.25Å; H59-Y101 AromaticContact ND1-CG 3.65Å; H59-Y101 AromaticContact ND1-CZ 3.85Å; H59-Y101 PolarHBondContact NE2-N 3.48Å; I61-Y101 HydrophobicContact CD1-CD1 3.96Å; I61-Y101 HydrophobicContact CD1-CG 4.28Å; I61-Y101 HydrophobicContact CG1-CD1 3.89Å; D98-Y101 HydrophobicContact CB-CD1 4.26Å; D98-Y101 HydrophobicContact CB-CD2 3.66Å; D98-Y101 HydrophobicContact CB-CE2 4.16Å; D98-Y101 HydrophobicContact CB-CG 3.73Å; D98-Y101 WeakPolarHBondContact O-CB 3.24Å; D98-Y101 PolarHBondContact O-N 3.33Å; D98-Y101 VanDerWaalsContact O-N 3.17Å; P99-Y101 VanDerWaalsContact C-N 3.26Å; P99-Y101 PolarHBondContact O-N 2.98Å; Y101-I103 PolarHBondContact O-N 2.73Å
102A96Very high95.9Very high41 Ų4142 Ų4234%0.33925%0.246SC..EExtended strand (participates in β ladder)trans-72.5110170.300000109.1H59 R60 I61 G100H59-A102 PolarHBondContact O-N 3.29Å; R60-A102 WeakPolarHBondContact CA-O 3.46Å; R60-A102 HydrophobicContact CG-CB 4.46Å; R60-A102 WeakPolarHBondContact CG-O 3.3Å; I61-A102 PolarHBondContact N-O 3.39Å; G100-A102 PolarHBondContact O-N 3.43Å
103I97.5Very high96Very high21 Ų2145.8 Ų45.811%0.10825%0.248CC..EExtended strand (participates in β ladder)trans-105.3128.6-178.5-59.2154.5000109.4I61 I91 Q94 R95 Y101I61-I103 HydrophobicContact CB-CG1 4.13Å; I61-I103 HydrophobicContact CD1-CG1 4.18Å; I61-I103 CarbonylContact O-C 3.44Å; I61-I103 VanDerWaalsContact O-CA 3.3Å; I61-I103 WeakPolarHBondContact O-CA 3.25Å; I91-I103 HydrophobicContact CB-CG2 4.35Å; I91-I103 HydrophobicContact CG1-CG2 4.09Å; I91-I103 HydrophobicContact CG2-CB 4.27Å; I91-I103 HydrophobicContact CG2-CG2 4.21Å; I91-I103 WeakPolarHBondContact O-CD1 3.36Å; Q94-I103 HydrophobicContact CB-CD1 3.83Å; Q94-I103 HydrophobicContact CB-CG1 4.31Å; Q94-I103 HydrophobicContact CB-CG2 4.42Å; R95-I103 HydrophobicContact CB-CD1 3.62Å; R95-I103 HydrophobicContact CG-CD1 4.4Å; R95-I103 VanDerWaalsContact N-CD1 3.32Å; Y101-I103 PolarHBondContact O-N 2.73Å
104T97.4Very high96.2Very high25 Ų2543.4 Ų43.415%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-122.8137.6177.4-57.10000110I61 A62 I63 D106 L126I61-T104 PolarHBondContact O-N 2.87Å; A62-T104 CarbonylContact C-O 3.45Å; A62-T104 WeakPolarHBondContact CA-O 3.38Å; I63-T104 PolarHBondContact N-O 3.08Å; T104-D106 HydrophobicContact CG2-CB 4.39Å; T104-L126 HydrophobicContact CG2-CD2 3.67Å
105V98.3Very high96.4Very high15 Ų1548.7 Ų48.79%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-113.6124.5167.11790000107.6I63 I91I63-V105 HydrophobicContact CB-CG2 4.19Å; I63-V105 HydrophobicContact CD1-CG2 3.95Å; I63-V105 WeakPolarHBondContact O-CA 3.35Å; I91-V105 HydrophobicContact CD1-CG2 3.82Å; I91-V105 HydrophobicContact CG1-CG2 3.52Å
106D98.4Very high96.5Very high8 Ų843.7 Ų43.74%0.04324%0.24CC..EExtended strand (participates in β ladder)trans-155.5171.5176.7-143.8-13000113.6I63 V64 D65 R80 R84 T104 L123I63-D106 PolarHBondContact O-N 3.48Å; V64-D106 WeakPolarHBondContact CA-O 3.38Å; D65-D106 PolarHBondContact N-O 2.86Å; D65-D106 VanDerWaalsContact N-O 3.11Å; R80-D106 WeakPolarHBondContact CD-OD1 3.43Å; R80-D106 WeakPolarHBondContact CG-OD1 3.34Å; R80-D106 IonicContact CZ-OD1 3.86Å; R80-D106 IonicContact NE-OD1 2.8Å; R80-D106 IonicContact NH1-OD1 3.02Å; R80-D106 PolarHBondContact NH1-OD1 2.68Å; R80-D106 IonicContact NH1-OD2 3.33Å; R80-D106 PolarHBondContact NH1-OD2 2.91Å; R84-D106 IonicContact CZ-OD1 3.45Å; R84-D106 IonicContact CZ-OD2 3.26Å; R84-D106 IonicContact NE-OD1 3.37Å; R84-D106 PolarHBondContact NE-OD1 3.22Å; R84-D106 IonicContact NE-OD2 3.94Å; R84-D106 IonicContact NH2-OD1 2.71Å; R84-D106 PolarHBondContact NH2-OD1 3.27Å; R84-D106 IonicContact NH2-OD2 2.55Å; R84-D106 PolarHBondContact NH2-OD2 2.95Å; T104-D106 HydrophobicContact CG2-CB 4.39Å; D106-L123 HydrophobicContact CB-CD1 3.91Å; D106-L123 HydrophobicContact CB-CD2 4.23Å
107A98.5Very high96.8Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-101.3152.6174.200000112.7D65 R80 K83 I109 L123D65-A107 CarbonylContact O-C 3.52Å; D65-A107 WeakPolarHBondContact O-CA 3.44Å; R80-A107 HydrophobicContact CB-CB 4.13Å; R80-A107 HydrophobicContact CG-CB 4.02Å; R80-A107 VanDerWaalsContact CZ-O 3.24Å; R80-A107 PolarHBondContact NH1-O 3.07Å; R80-A107 PolarHBondContact NH2-O 2.9Å; R80-A107 VanDerWaalsContact NH2-O 3.14Å; K83-A107 HydrophobicContact CB-CB 4.4Å; K83-A107 HydrophobicContact CD-CB 3.91Å; A107-I109 HydrophobicContact CB-CD1 3.86Å; A107-I109 HydrophobicContact CB-CG1 3.79Å; A107-L123 WeakPolarHBondContact O-CD2 3.39Å
108F98.6Very high97Very high0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-119.3111.6167.6-174.6-99.4000109.7L21 L25 V64 D65 T66 A67 W116 N120 L123 L124 M139L21-F108 HydrophobicContact CD1-CD1 4.18Å; L21-F108 HydrophobicContact CD1-CE1 3.76Å; L21-F108 HydrophobicContact CD2-CD1 4.39Å; L21-F108 HydrophobicContact CG-CD1 4.15Å; L21-F108 HydrophobicContact CG-CE1 4.23Å; L25-F108 HydrophobicContact CB-CD1 4.25Å; L25-F108 HydrophobicContact CB-CE1 4.18Å; L25-F108 HydrophobicContact CD1-CD2 4.21Å; L25-F108 HydrophobicContact CD1-CE2 4.08Å; L25-F108 HydrophobicContact CD1-CG 4.5Å; L25-F108 HydrophobicContact CD1-CZ 4.23Å; L25-F108 HydrophobicContact CD2-CB 3.76Å; L25-F108 HydrophobicContact CD2-CD1 3.94Å; L25-F108 HydrophobicContact CD2-CD2 4.09Å; L25-F108 HydrophobicContact CD2-CG 3.68Å; V64-F108 HydrophobicContact CG1-CB 3.78Å; D65-F108 PolarHBondContact O-N 2.71Å; T66-F108 CarbonylContact C-O 3.59Å; T66-F108 WeakPolarHBondContact CA-O 3.22Å; T66-F108 HydrophobicContact CG2-CB 4.3Å; T66-F108 HydrophobicContact CG2-CD1 4.4Å; A67-F108 PolarHBondContact N-O 3.37Å; F108-W116 HydrophobicContact CE1-CH2 4.49Å; F108-W116 HydrophobicContact CE1-CZ3 4.46Å; F108-W116 AromaticContact CE2-CH2 3.56Å; F108-W116 HydrophobicContact CE2-CH2 3.56Å; F108-W116 HydrophobicContact CE2-CZ2 4.19Å; F108-W116 HydrophobicContact CE2-CZ3 4.27Å; F108-W116 AromaticContact CZ-CH2 3.39Å; F108-W116 HydrophobicContact CZ-CH2 3.39Å; F108-W116 HydrophobicContact CZ-CZ2 4.42Å; F108-W116 AromaticContact CZ-CZ3 3.72Å; F108-W116 HydrophobicContact CZ-CZ3 3.72Å; F108-N120 HydrophobicContact CD2-CB 4.14Å; F108-N120 HydrophobicContact CE2-CB 4.09Å; F108-L123 HydrophobicContact CB-CD2 4.4Å; F108-L123 HydrophobicContact CD2-CD2 4.45Å; F108-L124 HydrophobicContact CE2-CD1 4.28Å; F108-L124 HydrophobicContact CE2-CD2 4.22Å; F108-L124 HydrophobicContact CE2-CG 4.37Å; F108-M139 HydrophobicContact CE1-SD 3.87Å; F108-M139 HydrophobicContact CZ-SD 3.75Å
109I98.7Very high97.3Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-122.2123.8-161-55.8-173.5000110.8A67 P69 Y76 R80 A107 D117 N120A67-I109 HydrophobicContact CB-CD1 4.26Å; A67-I109 HydrophobicContact CB-CG1 3.83Å; A67-I109 HydrophobicContact CB-CG2 4.4Å; A67-I109 WeakPolarHBondContact O-CA 3.49Å; P69-I109 HydrophobicContact CG-CG2 3.66Å; Y76-I109 HydrophobicContact CD1-CG2 3.82Å; Y76-I109 HydrophobicContact CE1-CG2 4.11Å; Y76-I109 HydrophobicContact CG-CG2 4.19Å; Y76-I109 WeakPolarHBondContact O-CD1 3.47Å; R80-I109 HydrophobicContact CB-CD1 3.98Å; A107-I109 HydrophobicContact CB-CD1 3.86Å; A107-I109 HydrophobicContact CB-CG1 3.79Å; I109-D117 HydrophobicContact CB-CB 3.76Å; I109-D117 HydrophobicContact CG2-CB 4.09Å; I109-D117 WeakPolarHBondContact O-CB 3.26Å; I109-D117 PolarHBondContact O-N 2.96Å; I109-N120 PolarHBondContact N-ND2 2.98Å; I109-N120 PolarHBondContact N-OD1 2.69Å; I109-N120 PolarHBondContact O-ND2 3.08Å
110V98.5Very high97.6Very high0 Ų035.7 Ų35.70%019%0.187CC..BIsolated β-bridgetrans-125.2129.2165.8179.50000106.8L21 A67 V68 W116 M143L21-V110 HydrophobicContact CD1-CB 4.16Å; L21-V110 HydrophobicContact CD1-CG2 3.69Å; L21-V110 HydrophobicContact CD2-CB 4.03Å; L21-V110 HydrophobicContact CD2-CG2 4.17Å; A67-V110 PolarHBondContact O-N 3.2Å; V68-V110 VanDerWaalsContact CA-O 3.31Å; V68-V110 WeakPolarHBondContact CA-O 3.32Å; V68-V110 WeakPolarHBondContact CG1-O 3.43Å; V110-W116 HydrophobicContact CG2-CE3 3.82Å; V110-W116 HydrophobicContact CG2-CZ3 3.99Å; V110-M143 HydrophobicContact CB-CG 3.87Å; V110-M143 HydrophobicContact CG1-CB 4.04Å; V110-M143 HydrophobicContact CG1-CG 3.52Å
111G98Very high97.8Very high0 Ų035.7 Ų35.70%017%0.173CC..  trans-63.3156.9-178.200000112.9P69 D71 Y76 R113 G114 R115P69-G111 CarbonylContact O-C 3.56Å; P69-G111 WeakPolarHBondContact O-CA 3.43Å; D71-G111 VanDerWaalsContact OD1-C 3.28Å; D71-G111 WeakPolarHBondContact OD1-CA 3.26Å; D71-G111 WeakPolarHBondContact OD2-CA 3.37Å; Y76-G111 VanDerWaalsContact OH-CA 3.31Å; Y76-G111 WeakPolarHBondContact OH-CA 3.42Å; Y76-G111 PolarHBondContact OH-N 2.97Å; G111-R113 PolarHBondContact O-N 2.98Å; G111-G114 WeakPolarHBondContact O-CA 3.26Å; G111-G114 PolarHBondContact O-N 3.16Å; G111-R115 PolarHBondContact N-O 3.43Å
112A96.6Very high97.9Very high2 Ų239.9 Ų39.92%0.01719%0.193CC..THydrogen-bonded Turntrans-58.3-28.5177.300000113.5V68 P69 W70 D71 G114 T147V68-A112 HydrophobicContact CG1-CB 4.34Å; P69-A112 PolarHBondContact O-N 3.17Å; W70-A112 HydrophobicContact CE3-CB 4.03Å; W70-A112 HydrophobicContact CZ3-CB 4.36Å; D71-A112 PolarHBondContact OD1-N 3.38Å; A112-G114 VanDerWaalsContact C-N 3.34Å; A112-T147 HydrophobicContact CB-CG2 4.19Å; A112-T147 WeakPolarHBondContact O-CB 3.3Å; A112-T147 PolarHBondContact O-OG1 3.21Å
113R96.3Very high98Very high141 Ų14138 Ų3853%0.53218%0.177SC..THydrogen-bonded Turntrans-94.316.3172.4-53.6-176.5-71.7157.70.2113W70 D71 G111 V144W70-R113 HydrophobicContact CE3-CG 4.33Å; W70-R113 HydrophobicContact CH2-CG 3.59Å; W70-R113 HydrophobicContact CZ2-CG 4.31Å; W70-R113 HydrophobicContact CZ3-CG 3.57Å; D71-R113 VanDerWaalsContact CG-N 3.32Å; D71-R113 PolarHBondContact OD1-N 3.42Å; D71-R113 VanDerWaalsContact OD2-C 3.29Å; D71-R113 WeakPolarHBondContact OD2-CA 3.31Å; D71-R113 WeakPolarHBondContact OD2-CB 3.49Å; D71-R113 PolarHBondContact OD2-N 3.17Å; D71-R113 VanDerWaalsContact OD2-N 3.15Å; G111-R113 PolarHBondContact O-N 2.98Å; R113-V144 VanDerWaalsContact C-CG2 3.41Å; R113-V144 VanDerWaalsContact O-CG2 3.23Å; R113-V144 WeakPolarHBondContact O-CG2 3.14Å
114G97.2Very high98Very high12 Ų1237.2 Ų37.212%0.12417%0.173CC..SBendtrans77.419.917600000114.5D71 G111 A112 C140D71-G114 PolarHBondContact OD2-N 3.06Å; G111-G114 WeakPolarHBondContact O-CA 3.26Å; G111-G114 PolarHBondContact O-N 3.16Å; A112-G114 VanDerWaalsContact C-N 3.34Å; G114-C140 WeakPolarHBondContact CA-O 3.5Å; G114-C140 WeakPolarHBondContact O-CB 3.42Å; G114-C140 PolarHBondContact O-SG 3.35Å
115R97.9Very high98Very high136 Ų13644.5 Ų44.551%0.51320%0.203SC..PPolyproline II helixtrans-81.5123.4172.3-176.1180-172.7176.95.7110.8D71 Y76 G111D71-R115 HydrophobicContact CB-CB 3.95Å; D71-R115 WeakPolarHBondContact OD2-CB 3.48Å; D71-R115 PolarHBondContact OD2-N 3.21Å; Y76-R115 WeakPolarHBondContact OH-CB 3.46Å; Y76-R115 PolarHBondContact OH-O 2.76Å; G111-R115 PolarHBondContact N-O 3.43Å
116W98.3Very high97.9Very high34 Ų3447.2 Ų47.213%0.12922%0.216CC..BIsolated β-bridgetrans-64.8132.2173.3-173.4-102.8000111.7F108 V110 P118 N120 D121 L124 L131 K136 M139F108-W116 HydrophobicContact CE1-CH2 4.49Å; F108-W116 HydrophobicContact CE1-CZ3 4.46Å; F108-W116 AromaticContact CE2-CH2 3.56Å; F108-W116 HydrophobicContact CE2-CH2 3.56Å; F108-W116 HydrophobicContact CE2-CZ2 4.19Å; F108-W116 HydrophobicContact CE2-CZ3 4.27Å; F108-W116 AromaticContact CZ-CH2 3.39Å; F108-W116 HydrophobicContact CZ-CH2 3.39Å; F108-W116 HydrophobicContact CZ-CZ2 4.42Å; F108-W116 AromaticContact CZ-CZ3 3.72Å; F108-W116 HydrophobicContact CZ-CZ3 3.72Å; V110-W116 HydrophobicContact CG2-CE3 3.82Å; V110-W116 HydrophobicContact CG2-CZ3 3.99Å; W116-P118 WeakPolarHBondContact O-CD 3.49Å; W116-N120 HydrophobicContact CD2-CB 4.47Å; W116-N120 HydrophobicContact CH2-CB 4.14Å; W116-N120 HydrophobicContact CZ2-CB 3.39Å; W116-D121 PolarHBondContact NE1-OD2 3.24Å; W116-L124 HydrophobicContact CH2-CD1 4.06Å; W116-L124 HydrophobicContact CZ2-CD1 3.71Å; W116-L131 HydrophobicContact CH2-CD1 3.67Å; W116-L131 HydrophobicContact CZ2-CD1 4.32Å; W116-K136 HydrophobicContact CD2-CD 4.42Å; W116-K136 HydrophobicContact CD2-CG 4.41Å; W116-K136 HydrophobicContact CE3-CB 4.24Å; W116-K136 HydrophobicContact CE3-CG 4.33Å; W116-K136 HydrophobicContact CH2-CG 4.08Å; W116-K136 HydrophobicContact CZ2-CD 4.32Å; W116-K136 HydrophobicContact CZ2-CG 4.15Å; W116-K136 HydrophobicContact CZ3-CB 4.34Å; W116-K136 HydrophobicContact CZ3-CG 4.18Å; W116-M139 HydrophobicContact CZ3-SD 4.18Å
117D98.4Very high97.8Very high7 Ų746.9 Ų46.94%0.03722%0.215CC..PPolyproline II helixtrans-75117.8167.3177.25.5000109.5Y76 R80 I109 K119 N120Y76-D117 HydrophobicContact CD2-CB 3.67Å; Y76-D117 HydrophobicContact CE2-CB 3.96Å; Y76-D117 HydrophobicContact CG-CB 4.25Å; R80-D117 IonicContact CZ-OD2 3.67Å; R80-D117 IonicContact NE-OD2 3.96Å; R80-D117 PolarHBondContact NE-OD2 3.04Å; R80-D117 IonicContact NH2-OD2 2.69Å; R80-D117 PolarHBondContact NH2-OD2 3.08Å; I109-D117 HydrophobicContact CB-CB 3.76Å; I109-D117 HydrophobicContact CG2-CB 4.09Å; I109-D117 WeakPolarHBondContact O-CB 3.26Å; I109-D117 PolarHBondContact O-N 2.96Å; D117-K119 PolarHBondContact O-N 3.4Å; D117-K119 WeakPolarHBondContact OD1-CB 3.41Å; D117-K119 PolarHBondContact OD1-N 2.88Å; D117-N120 VanDerWaalsContact O-CB 3.25Å; D117-N120 WeakPolarHBondContact O-CB 3.47Å; D117-N120 PolarHBondContact O-N 3.44Å
118P97.8Very high97.6Very high88 Ų8849.2 Ų49.257%0.57124%0.238SC*.THydrogen-bonded Turntrans-56.9-23.3178.5-24.434.7000114W116 N120 D121W116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-N120 PolarHBondContact O-N 2.73Å; P118-D121 PolarHBondContact O-N 2.85Å
119K98.2Very high97.6Very high95 Ų9549.6 Ų49.641%0.41324%0.24SC..Hα-helixtrans-72-14.7176.4-67.1-177.3180176.90113.1D117 D121 K122 L123D117-K119 PolarHBondContact O-N 3.4Å; D117-K119 WeakPolarHBondContact OD1-CB 3.41Å; D117-K119 PolarHBondContact OD1-N 2.88Å; K119-D121 VanDerWaalsContact C-N 3.25Å; K119-D121 PolarHBondContact O-N 2.85Å; K119-K122 PolarHBondContact O-N 3.49Å; K119-L123 PolarHBondContact O-N 2.77Å
120N98.6Very high97.4Very high0 Ų058.1 Ų58.10%028%0.278CS..Hα-helixtrans-60.8-37.3169.2-68.8-13.1000111.4R80 F108 I109 W116 D117 P118 K122 L123 L124R80-N120 PolarHBondContact NH2-OD1 3.49Å; R80-N120 VanDerWaalsContact NH2-OD1 3.07Å; F108-N120 HydrophobicContact CD2-CB 4.14Å; F108-N120 HydrophobicContact CE2-CB 4.09Å; I109-N120 PolarHBondContact N-ND2 2.98Å; I109-N120 PolarHBondContact N-OD1 2.69Å; I109-N120 PolarHBondContact O-ND2 3.08Å; W116-N120 HydrophobicContact CD2-CB 4.47Å; W116-N120 HydrophobicContact CH2-CB 4.14Å; W116-N120 HydrophobicContact CZ2-CB 3.39Å; D117-N120 VanDerWaalsContact O-CB 3.25Å; D117-N120 WeakPolarHBondContact O-CB 3.47Å; D117-N120 PolarHBondContact O-N 3.44Å; P118-N120 PolarHBondContact O-N 2.73Å; N120-K122 VanDerWaalsContact C-N 3.25Å; N120-K122 PolarHBondContact O-N 3.39Å; N120-L123 WeakPolarHBondContact O-CB 3.35Å; N120-L123 PolarHBondContact O-N 3.2Å; N120-L123 VanDerWaalsContact O-N 3.13Å; N120-L124 WeakPolarHBondContact O-CB 3.37Å; N120-L124 VanDerWaalsContact O-CG 3.27Å; N120-L124 WeakPolarHBondContact O-CG 3.5Å; N120-L124 PolarHBondContact O-N 3.2Å
121D98.1Very high97.4Very high58 Ų5858.8 Ų58.831%0.3128%0.281SS..Hα-helixtrans-65.2-32.4-179.5-63.3-61.5000111.7W116 P118 K119 K125 K136W116-D121 PolarHBondContact NE1-OD2 3.24Å; P118-D121 PolarHBondContact O-N 2.85Å; K119-D121 VanDerWaalsContact C-N 3.25Å; K119-D121 PolarHBondContact O-N 2.85Å; D121-K125 WeakPolarHBondContact O-CB 3.08Å; D121-K125 PolarHBondContact O-N 2.78Å; D121-K136 WeakPolarHBondContact OD1-CE 3.22Å; D121-K136 IonicContact OD1-NZ 2.66Å; D121-K136 PolarHBondContact OD1-NZ 2.94Å
122K97.8Very high97.3Very high154 Ų15461.8 Ų61.867%0.6730%0.302SS*.Hα-helixtrans-64.6-45.8172.2-63.8-173179.5-174.20111.4K119 N120 L126K119-K122 PolarHBondContact O-N 3.49Å; N120-K122 VanDerWaalsContact C-N 3.25Å; N120-K122 PolarHBondContact O-N 3.39Å; K122-L126 WeakPolarHBondContact O-CB 3.26Å; K122-L126 PolarHBondContact O-N 2.91Å
123L98Very high97.3Very high2 Ų267.9 Ų67.91%0.0133%0.33CS..Hα-helixtrans-61.2-50.2175.1172.861.4000111V64 D106 A107 F108 K119 N120 K125 L126 L127V64-L123 HydrophobicContact CG1-CD2 3.9Å; V64-L123 HydrophobicContact CG2-CD1 4.4Å; V64-L123 HydrophobicContact CG2-CD2 4.24Å; D106-L123 HydrophobicContact CB-CD1 3.91Å; D106-L123 HydrophobicContact CB-CD2 4.23Å; A107-L123 WeakPolarHBondContact O-CD2 3.39Å; F108-L123 HydrophobicContact CB-CD2 4.4Å; F108-L123 HydrophobicContact CD2-CD2 4.45Å; K119-L123 PolarHBondContact O-N 2.77Å; N120-L123 WeakPolarHBondContact O-CB 3.35Å; N120-L123 PolarHBondContact O-N 3.2Å; N120-L123 VanDerWaalsContact O-N 3.13Å; L123-K125 PolarHBondContact O-N 3.28Å; L123-L126 WeakPolarHBondContact O-CB 3.19Å; L123-L126 PolarHBondContact O-N 3.38Å; L123-L126 VanDerWaalsContact O-N 3.16Å; L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 4.08Å; L123-L127 HydrophobicContact CG-CD1 4.1Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.2Å
124L98Very high97.3Very high4 Ų463.2 Ų63.22%0.02133%0.326CS..Hα-helixtrans-61.8-43-178.7-68.4171.9000111.8L25 F108 W116 N120 L126 L127 G128 I129 L131L25-L124 HydrophobicContact CD1-CD2 4.3Å; F108-L124 HydrophobicContact CE2-CD1 4.28Å; F108-L124 HydrophobicContact CE2-CD2 4.22Å; F108-L124 HydrophobicContact CE2-CG 4.37Å; W116-L124 HydrophobicContact CH2-CD1 4.06Å; W116-L124 HydrophobicContact CZ2-CD1 3.71Å; N120-L124 WeakPolarHBondContact O-CB 3.37Å; N120-L124 VanDerWaalsContact O-CG 3.27Å; N120-L124 WeakPolarHBondContact O-CG 3.5Å; N120-L124 PolarHBondContact O-N 3.2Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3.4Å; L124-L127 CarbonylContact O-C 3.55Å; L124-L127 PolarHBondContact O-N 2.86Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L124-G128 PolarHBondContact O-N 3.45Å; L124-I129 CarbonylContact C-O 3.43Å; L124-I129 HydrophobicContact CB-CB 4.41Å; L124-I129 WeakPolarHBondContact CB-O 3.31Å; L124-I129 HydrophobicContact CD2-CB 3.99Å; L124-I129 HydrophobicContact CD2-CD1 4.41Å; L124-I129 HydrophobicContact CD2-CG2 3.8Å; L124-I129 PolarHBondContact O-N 3.06Å; L124-L131 HydrophobicContact CD1-CD1 3.57Å; L124-L131 HydrophobicContact CD1-CG 3.95Å; L124-L131 HydrophobicContact CD2-CD1 4.42Å
125K97.1Very high97.4Very high178 Ų17865.7 Ų65.777%0.77433%0.334SS*.Hα-helixtrans-58.5-45.8173.6-176.7176.7-179.21780111.3D121 L123 L127 G128D121-K125 WeakPolarHBondContact O-CB 3.08Å; D121-K125 PolarHBondContact O-N 2.78Å; L123-K125 PolarHBondContact O-N 3.28Å; K125-L127 PolarHBondContact O-N 3.47Å; K125-G128 PolarHBondContact O-N 2.97Å
126L96.1Very high97.4Very high72 Ų7260.6 Ų60.638%0.37732%0.316SS..Hα-helixtrans-61-34.2176.9-17767.9000112.5R60 T104 K122 L123 L124 G128R60-L126 VanDerWaalsContact CZ-O 3.25Å; R60-L126 PolarHBondContact NE-O 2.82Å; R60-L126 PolarHBondContact NH1-O 2.82Å; T104-L126 HydrophobicContact CG2-CD2 3.67Å; K122-L126 WeakPolarHBondContact O-CB 3.26Å; K122-L126 PolarHBondContact O-N 2.91Å; L123-L126 WeakPolarHBondContact O-CB 3.19Å; L123-L126 PolarHBondContact O-N 3.38Å; L123-L126 VanDerWaalsContact O-N 3.16Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3.4Å; L126-G128 VanDerWaalsContact C-N 3.3Å
127L96.3Very high97.4Very high2 Ų265.2 Ų65.21%0.0134%0.339CS..THydrogen-bonded Turntrans-82.4-2.9174.7-61.1179.9000113.4F34 L55 R57 A62 L123 L124 K125 I129F34-L127 HydrophobicContact CE1-CD2 4.39Å; F34-L127 HydrophobicContact CZ-CB 3.96Å; F34-L127 HydrophobicContact CZ-CD2 4.36Å; F34-L127 VanDerWaalsContact CZ-O 3.32Å; F34-L127 WeakPolarHBondContact CZ-O 3.47Å; L55-L127 HydrophobicContact CD1-CD1 3.87Å; R57-L127 PolarHBondContact NH2-O 3.44Å; A62-L127 HydrophobicContact CB-CD1 4.5Å; A62-L127 HydrophobicContact CB-CD2 3.42Å; A62-L127 VanDerWaalsContact CB-CD2 3.42Å; L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 4.08Å; L123-L127 HydrophobicContact CG-CD1 4.1Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.2Å; L124-L127 CarbonylContact O-C 3.55Å; L124-L127 PolarHBondContact O-N 2.86Å; L124-L127 VanDerWaalsContact O-N 3.14Å; K125-L127 PolarHBondContact O-N 3.47Å; L127-I129 HydrophobicContact CB-CD1 3.88Å; L127-I129 HydrophobicContact CB-CG1 3.91Å; L127-I129 HydrophobicContact CD1-CD1 4.09Å; L127-I129 PolarHBondContact O-N 3.32Å
128G95.9Very high97.4Very high48 Ų4867.3 Ų67.350%0.49536%0.357SS..THydrogen-bonded Turntrans58.937.4-172.900000112.3L124 K125 L126L124-G128 PolarHBondContact O-N 3.45Å; K125-G128 PolarHBondContact O-N 2.97Å; L126-G128 VanDerWaalsContact C-N 3.3Å
129I96.9Very high97.4Very high9 Ų963.6 Ų63.65%0.04633%0.332CS..  trans-108.1124.3174.7-61.2176.1000107.5V28 A29 K32 F34 L124 L127 L131V28-I129 HydrophobicContact CG1-CG2 3.46Å; V28-I129 VanDerWaalsContact CG1-CG2 3.46Å; A29-I129 HydrophobicContact CB-CD1 4.49Å; K32-I129 HydrophobicContact CB-CG1 4.41Å; K32-I129 HydrophobicContact CG-CG1 4.3Å; K32-I129 HydrophobicContact CG-CG2 4.47Å; F34-I129 HydrophobicContact CD2-CD1 4.38Å; F34-I129 HydrophobicContact CE2-CD1 3.85Å; F34-I129 HydrophobicContact CE2-CG1 3.9Å; F34-I129 HydrophobicContact CZ-CD1 4.43Å; L124-I129 CarbonylContact C-O 3.43Å; L124-I129 HydrophobicContact CB-CB 4.41Å; L124-I129 WeakPolarHBondContact CB-O 3.31Å; L124-I129 HydrophobicContact CD2-CB 3.99Å; L124-I129 HydrophobicContact CD2-CD1 4.41Å; L124-I129 HydrophobicContact CD2-CG2 3.8Å; L124-I129 PolarHBondContact O-N 3.06Å; L127-I129 HydrophobicContact CB-CD1 3.88Å; L127-I129 HydrophobicContact CB-CG1 3.91Å; L127-I129 HydrophobicContact CD1-CD1 4.09Å; L127-I129 PolarHBondContact O-N 3.32Å; I129-L131 HydrophobicContact CG2-CD2 4.37Å; I129-L131 HydrophobicContact CG2-CG 4.45Å
130K95.9Very high97.4Very high179 Ų17959.9 Ų59.978%0.77832%0.318SS*.  trans-108.8118.1169.2-173177.4-179.2-179.10108.2
131L97.2Very high97.4Very high13 Ų1362.5 Ų62.57%0.06834%0.335CS..  trans-91.2141.3168.7-67.1-178.3000109.1V28 W116 L124 I129 Q135 K136 M139V28-L131 HydrophobicContact CB-CD2 4.21Å; V28-L131 HydrophobicContact CG1-CD2 3.52Å; V28-L131 HydrophobicContact CG2-CD2 3.65Å; W116-L131 HydrophobicContact CH2-CD1 3.67Å; W116-L131 HydrophobicContact CZ2-CD1 4.32Å; L124-L131 HydrophobicContact CD1-CD1 3.57Å; L124-L131 HydrophobicContact CD1-CG 3.95Å; L124-L131 HydrophobicContact CD2-CD1 4.42Å; I129-L131 HydrophobicContact CG2-CD2 4.37Å; I129-L131 HydrophobicContact CG2-CG 4.45Å; L131-Q135 HydrophobicContact CB-CB 4.36Å; L131-Q135 HydrophobicContact CD2-CB 4.22Å; L131-K136 HydrophobicContact CB-CG 4.13Å; L131-K136 HydrophobicContact CD1-CG 4.3Å; L131-M139 HydrophobicContact CD1-CE 4.17Å
132S96.2Very high97.4Very high64 Ų6462.9 Ų62.945%0.44834%0.336SS..  trans-71.8158.8163.958.10000110.4G134 Q135 K136S132-G134 VanDerWaalsContact C-N 3.28Å; S132-G134 PolarHBondContact O-N 3.22Å; S132-Q135 WeakPolarHBondContact O-CB 3.37Å; S132-Q135 PolarHBondContact O-N 3.06Å; S132-Q135 VanDerWaalsContact O-N 3.09Å; S132-Q135 VanDerWaalsContact OG-CG 3.27Å; S132-Q135 WeakPolarHBondContact OG-CG 3.31Å; S132-Q135 PolarHBondContact OG-N 2.92Å; S132-Q135 PolarHBondContact OG-OE1 3.26Å; S132-K136 PolarHBondContact O-N 2.89Å; S132-K136 VanDerWaalsContact O-N 3.15Å
133E96.5Very high97.4Very high129 Ų12955.5 Ų55.560%0.60330%0.304SS*.Hα-helixtrans-59.8-40.2174.9-66.4-53.812400111.5Q135 K136 E137E133-Q135 VanDerWaalsContact C-N 3.28Å; E133-Q135 PolarHBondContact O-N 2.99Å; E133-K136 WeakPolarHBondContact O-CB 3.33Å; E133-K136 PolarHBondContact O-N 3.38Å; E133-K136 IonicContact OE1-NZ 3.2Å; E133-K136 PolarHBondContact OE1-NZ 3.1Å; E133-K136 IonicContact OE2-NZ 2.82Å; E133-E137 WeakPolarHBondContact O-CB 3.34Å; E133-E137 PolarHBondContact O-N 3.33Å
134G97.8Very high97.4Very high44 Ų4458.9 Ų58.945%0.45432%0.324SS..Hα-helixtrans-60.6-32.617400000114S132 A138S132-G134 VanDerWaalsContact C-N 3.28Å; S132-G134 PolarHBondContact O-N 3.22Å; G134-A138 VanDerWaalsContact O-CB 3.28Å; G134-A138 WeakPolarHBondContact O-CB 3.45Å; G134-A138 PolarHBondContact O-N 2.89Å
135Q97.8Very high97.5Very high63 Ų6365 Ų6529%0.29435%0.351SS..Hα-helixtrans-70.2-38.8173.2-76.7170.3-44.500112.5L131 S132 E133 M139L131-Q135 HydrophobicContact CB-CB 4.36Å; L131-Q135 HydrophobicContact CD2-CB 4.22Å; S132-Q135 WeakPolarHBondContact O-CB 3.37Å; S132-Q135 PolarHBondContact O-N 3.06Å; S132-Q135 VanDerWaalsContact O-N 3.09Å; S132-Q135 VanDerWaalsContact OG-CG 3.27Å; S132-Q135 WeakPolarHBondContact OG-CG 3.31Å; S132-Q135 PolarHBondContact OG-N 2.92Å; S132-Q135 PolarHBondContact OG-OE1 3.26Å; E133-Q135 VanDerWaalsContact C-N 3.28Å; E133-Q135 PolarHBondContact O-N 2.99Å; Q135-M139 WeakPolarHBondContact O-CG 3.43Å; Q135-M139 PolarHBondContact O-N 3.36Å
136K98.3Very high97.5Very high30 Ų3057.3 Ų57.313%0.1332%0.318CS..Hα-helixtrans-65.2-48.1174.6-64.5177.4-176.6169.40110.1W116 D121 L131 S132 E133 A138 M139 C140W116-K136 HydrophobicContact CD2-CD 4.42Å; W116-K136 HydrophobicContact CD2-CG 4.41Å; W116-K136 HydrophobicContact CE3-CB 4.24Å; W116-K136 HydrophobicContact CE3-CG 4.33Å; W116-K136 HydrophobicContact CH2-CG 4.08Å; W116-K136 HydrophobicContact CZ2-CD 4.32Å; W116-K136 HydrophobicContact CZ2-CG 4.15Å; W116-K136 HydrophobicContact CZ3-CB 4.34Å; W116-K136 HydrophobicContact CZ3-CG 4.18Å; D121-K136 WeakPolarHBondContact OD1-CE 3.22Å; D121-K136 IonicContact OD1-NZ 2.66Å; D121-K136 PolarHBondContact OD1-NZ 2.94Å; L131-K136 HydrophobicContact CB-CG 4.13Å; L131-K136 HydrophobicContact CD1-CG 4.3Å; S132-K136 PolarHBondContact O-N 2.89Å; S132-K136 VanDerWaalsContact O-N 3.15Å; E133-K136 WeakPolarHBondContact O-CB 3.33Å; E133-K136 PolarHBondContact O-N 3.38Å; E133-K136 IonicContact OE1-NZ 3.2Å; E133-K136 PolarHBondContact OE1-NZ 3.1Å; E133-K136 IonicContact OE2-NZ 2.82Å; K136-A138 VanDerWaalsContact C-N 3.31Å; K136-A138 PolarHBondContact O-N 2.77Å; K136-M139 PolarHBondContact O-N 2.83Å; K136-M139 VanDerWaalsContact O-N 3.14Å; K136-C140 WeakPolarHBondContact O-CB 3.4Å; K136-C140 PolarHBondContact O-N 2.95Å; K136-C140 PolarHBondContact O-SG 2.83Å
137E98.3Very high97.5Very high131 Ų13154.6 Ų54.661%0.61231%0.305SS*.Hα-helixtrans-58.5-41.5177.8-172.4-178177.300112E133 M139 C140 T141E133-E137 WeakPolarHBondContact O-CB 3.34Å; E133-E137 PolarHBondContact O-N 3.33Å; E137-M139 PolarHBondContact O-N 3.14Å; E137-C140 WeakPolarHBondContact O-CB 3.36Å; E137-C140 PolarHBondContact O-N 3.41Å; E137-T141 VanDerWaalsContact O-CB 3.26Å; E137-T141 WeakPolarHBondContact O-CB 3.43Å; E137-T141 PolarHBondContact O-N 2.85Å; E137-T141 PolarHBondContact O-OG1 3.28Å
138A98.4Very high97.4Very high51 Ų5156.4 Ų56.442%0.42132%0.323SS..Hα-helixtrans-59.6-46.217500000111.8G134 K136 T141 L142G134-A138 VanDerWaalsContact O-CB 3.28Å; G134-A138 WeakPolarHBondContact O-CB 3.45Å; G134-A138 PolarHBondContact O-N 2.89Å; K136-A138 VanDerWaalsContact C-N 3.31Å; K136-A138 PolarHBondContact O-N 2.77Å; A138-T141 PolarHBondContact O-N 2.87Å; A138-L142 WeakPolarHBondContact O-CB 3.43Å; A138-L142 VanDerWaalsContact O-CG 3.24Å; A138-L142 WeakPolarHBondContact O-CG 3.36Å; A138-L142 PolarHBondContact O-N 3.23Å
139M98.5Very high97.4Very high9 Ų961.8 Ų61.84%0.04433%0.329CS..Hα-helixtrans-63.5-43.1176.3-65.9-177.8-165.500111.7L21 V28 F108 W116 L131 Q135 K136 E137 L142 M143L21-M139 HydrophobicContact CD1-CB 4.29Å; L21-M139 HydrophobicContact CD1-SD 4.39Å; V28-M139 HydrophobicContact CG2-CE 3.95Å; F108-M139 HydrophobicContact CE1-SD 3.87Å; F108-M139 HydrophobicContact CZ-SD 3.75Å; W116-M139 HydrophobicContact CZ3-SD 4.18Å; L131-M139 HydrophobicContact CD1-CE 4.17Å; Q135-M139 WeakPolarHBondContact O-CG 3.43Å; Q135-M139 PolarHBondContact O-N 3.36Å; K136-M139 PolarHBondContact O-N 2.83Å; K136-M139 VanDerWaalsContact O-N 3.14Å; E137-M139 PolarHBondContact O-N 3.14Å; M139-L142 PolarHBondContact O-N 3.41Å; M139-M143 WeakPolarHBondContact O-CG 3.34Å; M139-M143 PolarHBondContact O-N 2.82Å; M139-M143 VanDerWaalsContact O-N 3.1Å
140C98.5Very high97.2Very high18 Ų1861.5 Ų61.512%0.12233%0.327CS..Hα-helixtrans-60.2-48.3176.5-69.70000112.2G114 K136 E137 L142 M143 V144G114-C140 WeakPolarHBondContact CA-O 3.5Å; G114-C140 WeakPolarHBondContact O-CB 3.42Å; G114-C140 PolarHBondContact O-SG 3.35Å; K136-C140 WeakPolarHBondContact O-CB 3.4Å; K136-C140 PolarHBondContact O-N 2.95Å; K136-C140 PolarHBondContact O-SG 2.83Å; E137-C140 WeakPolarHBondContact O-CB 3.36Å; E137-C140 PolarHBondContact O-N 3.41Å; C140-L142 VanDerWaalsContact C-N 3.34Å; C140-L142 PolarHBondContact O-N 3.09Å; C140-M143 PolarHBondContact O-N 3.02Å; C140-M143 VanDerWaalsContact O-N 3.1Å; C140-V144 PolarHBondContact O-N 2.97Å
141T98.6Very high97Very high55 Ų5555 Ų5534%0.33730%0.303SS..Hα-helixtrans-61.8-41.4178.5-63.50000111.5E137 A138 M143 V144 K145E137-T141 VanDerWaalsContact O-CB 3.26Å; E137-T141 WeakPolarHBondContact O-CB 3.43Å; E137-T141 PolarHBondContact O-N 2.85Å; E137-T141 PolarHBondContact O-OG1 3.28Å; A138-T141 PolarHBondContact O-N 2.87Å; T141-M143 VanDerWaalsContact C-N 3.31Å; T141-M143 PolarHBondContact O-N 3.15Å; T141-V144 PolarHBondContact O-N 3.36Å; T141-K145 HydrophobicContact CG2-CD 4.18Å; T141-K145 WeakPolarHBondContact O-CG 3.36Å; T141-K145 PolarHBondContact O-N 2.92Å
142L98.4Very high96.8Very high65 Ų6559.3 Ų59.334%0.3433%0.326SS..Hα-helixtrans-60.2-41.2173.9-74.5170000111.6T20 A138 M139 C140 K145 L146T20-L142 HydrophobicContact CG2-CD1 4.23Å; A138-L142 WeakPolarHBondContact O-CB 3.43Å; A138-L142 VanDerWaalsContact O-CG 3.24Å; A138-L142 WeakPolarHBondContact O-CG 3.36Å; A138-L142 PolarHBondContact O-N 3.23Å; M139-L142 PolarHBondContact O-N 3.41Å; C140-L142 VanDerWaalsContact C-N 3.34Å; C140-L142 PolarHBondContact O-N 3.09Å; L142-K145 PolarHBondContact O-N 2.87Å; L142-L146 WeakPolarHBondContact O-CB 3.48Å; L142-L146 VanDerWaalsContact O-CG 3.25Å; L142-L146 WeakPolarHBondContact O-CG 3.37Å; L142-L146 PolarHBondContact O-N 3.5Å
143M98Very high96.5Very high0 Ų059.2 Ų59.20%032%0.318CS..Hα-helixtrans-65.5-40.2177.9-66.8-51.796.900112.2R17 T20 L21 V68 V110 M139 C140 T141 L146 T147R17-M143 HydrophobicContact CG-CE 4.29Å; R17-M143 HydrophobicContact CG-SD 3.72Å; T20-M143 HydrophobicContact CG2-CE 4.47Å; L21-M143 HydrophobicContact CB-CE 3.87Å; L21-M143 HydrophobicContact CB-SD 3.99Å; L21-M143 HydrophobicContact CD2-SD 4.37Å; V68-M143 HydrophobicContact CB-SD 4.5Å; V68-M143 HydrophobicContact CG1-CG 4.37Å; V68-M143 HydrophobicContact CG1-SD 3.94Å; V68-M143 HydrophobicContact CG2-SD 3.66Å; V110-M143 HydrophobicContact CB-CG 3.87Å; V110-M143 HydrophobicContact CG1-CB 4.04Å; V110-M143 HydrophobicContact CG1-CG 3.52Å; M139-M143 WeakPolarHBondContact O-CG 3.34Å; M139-M143 PolarHBondContact O-N 2.82Å; M139-M143 VanDerWaalsContact O-N 3.1Å; C140-M143 PolarHBondContact O-N 3.02Å; C140-M143 VanDerWaalsContact O-N 3.1Å; T141-M143 VanDerWaalsContact C-N 3.31Å; T141-M143 PolarHBondContact O-N 3.15Å; M143-L146 HydrophobicContact CE-CD1 4.07Å; M143-T147 VanDerWaalsContact O-CB 3.26Å; M143-T147 WeakPolarHBondContact O-CB 3.47Å; M143-T147 PolarHBondContact O-N 2.83Å; M143-T147 PolarHBondContact O-OG1 2.86Å
144V97.9Very high96.1Very high72 Ų7255.6 Ų55.644%0.43630%0.301SS..Hα-helixtrans-60.7-51.6173.9178.90000110.6R113 C140 T141 L146 T147 G148R113-V144 VanDerWaalsContact C-CG2 3.41Å; R113-V144 VanDerWaalsContact O-CG2 3.23Å; R113-V144 WeakPolarHBondContact O-CG2 3.14Å; C140-V144 PolarHBondContact O-N 2.97Å; T141-V144 PolarHBondContact O-N 3.36Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 3.35Å; V144-T147 PolarHBondContact O-N 2.92Å; V144-G148 PolarHBondContact O-N 2.86Å
145K98.2Very high95.6Very high134 Ų13459.8 Ų59.858%0.58331%0.312SS*.Hα-helixtrans-58.4-45.1-179-73.5178.7177.8-178.10112T141 L142 G148 R149T141-K145 HydrophobicContact CG2-CD 4.18Å; T141-K145 WeakPolarHBondContact O-CG 3.36Å; T141-K145 PolarHBondContact O-N 2.92Å; L142-K145 PolarHBondContact O-N 2.87Å; K145-G148 PolarHBondContact O-N 2.88Å; K145-R149 PolarHBondContact O-N 3.08Å; K145-R149 VanDerWaalsContact O-N 3.14Å
146L97.4Very high95.1Very high16 Ų1661.3 Ų61.38%0.08433%0.326CS..Hα-helixtrans-72.4-35.3-179.5-67170.2000112I16 R17 T20 L142 M143 V144 G148 R149 I150I16-L146 HydrophobicContact CG2-CD2 4.43Å; R17-L146 HydrophobicContact CB-CB 3.95Å; R17-L146 HydrophobicContact CB-CD1 4.31Å; R17-L146 HydrophobicContact CG-CB 3.75Å; R17-L146 HydrophobicContact CG-CD1 4.26Å; T20-L146 HydrophobicContact CG2-CD1 3.8Å; L142-L146 WeakPolarHBondContact O-CB 3.48Å; L142-L146 VanDerWaalsContact O-CG 3.25Å; L142-L146 WeakPolarHBondContact O-CG 3.37Å; L142-L146 PolarHBondContact O-N 3.5Å; M143-L146 HydrophobicContact CE-CD1 4.07Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 3.35Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-R149 PolarHBondContact O-N 3.35Å; L146-I150 VanDerWaalsContact O-CG1 3.26Å; L146-I150 WeakPolarHBondContact O-CG1 3.23Å; L146-I150 PolarHBondContact O-N 2.98Å; L146-I150 VanDerWaalsContact O-N 3.09Å
147T96Very high94.3Very high15 Ų1561.4 Ų61.49%0.09233%0.33CS..Hα-helixtrans-65.5-35.7170.8-62.80000112.1R17 A112 M143 V144 I150 T151R17-T147 PolarHBondContact NH1-OG1 2.7Å; A112-T147 HydrophobicContact CB-CG2 4.19Å; A112-T147 WeakPolarHBondContact O-CB 3.3Å; A112-T147 PolarHBondContact O-OG1 3.21Å; M143-T147 VanDerWaalsContact O-CB 3.26Å; M143-T147 WeakPolarHBondContact O-CB 3.47Å; M143-T147 PolarHBondContact O-N 2.83Å; M143-T147 PolarHBondContact O-OG1 2.86Å; V144-T147 PolarHBondContact O-N 2.92Å; T147-I150 PolarHBondContact O-N 3.2Å; T147-T151 PolarHBondContact O-N 3.47Å; T147-T151 PolarHBondContact O-OG1 3.38Å
148G95.5Very high92.8Very high39 Ų3960.3 Ų60.340%0.40234%0.343SS..Hα-helixtrans-57-49.8171.400000111.5V144 K145 L146 I150 T151 D152V144-G148 PolarHBondContact O-N 2.86Å; K145-G148 PolarHBondContact O-N 2.88Å; L146-G148 VanDerWaalsContact C-N 3.32Å; G148-I150 VanDerWaalsContact C-N 3.33Å; G148-I150 PolarHBondContact O-N 2.92Å; G148-T151 PolarHBondContact O-N 3.47Å; G148-T151 VanDerWaalsContact O-N 3.15Å; G148-D152 WeakPolarHBondContact O-CB 3.29Å; G148-D152 PolarHBondContact O-N 2.74Å
149R94.8Very high90.8Very high162 Ų16264.4 Ų64.461%0.61137%0.367SS*.Hα-helixtrans-59.3-39.9175.6-66.4-179.7-175.1179.7-2113.4K145 L146 H153K145-R149 PolarHBondContact O-N 3.08Å; K145-R149 VanDerWaalsContact O-N 3.14Å; L146-R149 PolarHBondContact O-N 3.35Å; R149-H153 VanDerWaalsContact O-CB 3.22Å; R149-H153 WeakPolarHBondContact O-CB 3.05Å; R149-H153 PolarHBondContact O-N 2.93Å
150I93.4Very high90.4Very high2 Ų267.2 Ų67.21%0.0138%0.384CS..Hα-helixtrans-65.9-42.9177.4-62163.3000110.2V4 T10 L13 R14 R17 L146 T147 G148 F154V4-I150 HydrophobicContact CG1-CB 4.34Å; V4-I150 HydrophobicContact CG1-CG2 3.34Å; T10-I150 HydrophobicContact CG2-CG2 3.61Å; T10-I150 WeakPolarHBondContact CG2-O 3.33Å; L13-I150 HydrophobicContact CB-CG1 3.59Å; R14-I150 HydrophobicContact CG-CD1 4.14Å; R14-I150 HydrophobicContact CG-CG2 4.43Å; R17-I150 HydrophobicContact CB-CD1 4.15Å; L146-I150 VanDerWaalsContact O-CG1 3.26Å; L146-I150 WeakPolarHBondContact O-CG1 3.23Å; L146-I150 PolarHBondContact O-N 2.98Å; L146-I150 VanDerWaalsContact O-N 3.09Å; T147-I150 PolarHBondContact O-N 3.2Å; G148-I150 VanDerWaalsContact C-N 3.33Å; G148-I150 PolarHBondContact O-N 2.92Å; I150-F154 WeakPolarHBondContact O-CB 3.45Å; I150-F154 PolarHBondContact O-N 3.13Å
151T91.4Very high90Very high43 Ų4369.8 Ų69.826%0.26440%0.397SS..Hα-helixtrans-66.6-46.8179.5-53.80000111.3T147 G148 F154 L155T147-T151 PolarHBondContact O-N 3.47Å; T147-T151 PolarHBondContact O-OG1 3.38Å; G148-T151 PolarHBondContact O-N 3.47Å; G148-T151 VanDerWaalsContact O-N 3.15Å; T151-F154 WeakPolarHBondContact O-CB 3.1Å; T151-F154 PolarHBondContact O-N 2.86Å; T151-L155 HydrophobicContact CG2-CD1 4.02Å; T151-L155 HydrophobicContact CG2-CG 4.49Å; T151-L155 WeakPolarHBondContact O-CG 3.06Å; T151-L155 PolarHBondContact O-N 3.15Å
152D92Very high89.5Confident103 Ų10370.6 Ų70.655%0.55140%0.401SS*.Hα-helixtrans-59.1-48.4176.9-178.860.1000111.4G148 F154 L155 T156G148-D152 WeakPolarHBondContact O-CB 3.29Å; G148-D152 PolarHBondContact O-N 2.74Å; D152-F154 VanDerWaalsContact C-N 3.32Å; D152-F154 PolarHBondContact O-N 3.36Å; D152-L155 PolarHBondContact O-N 3.48Å; D152-L155 VanDerWaalsContact O-N 3.14Å; D152-T156 WeakPolarHBondContact O-CB 3.32Å; D152-T156 WeakPolarHBondContact O-CG2 3.37Å; D152-T156 PolarHBondContact O-N 3.14Å; D152-T156 PolarHBondContact O-OG1 2.78Å
153H90.5Very high89Confident62 Ų6270.9 Ų70.929%0.28740%0.404SS..Hα-helixtrans-60-40.7175.3-177.370.1000112.5S9 L13 R149 L155 T156 S157S9-H153 PolarHBondContact O-NE2 3.41Å; S9-H153 VanDerWaalsContact O-NE2 3.17Å; L13-H153 HydrophobicContact CD1-CB 3.49Å; L13-H153 VanDerWaalsContact CD1-CB 3.49Å; R149-H153 VanDerWaalsContact O-CB 3.22Å; R149-H153 WeakPolarHBondContact O-CB 3.05Å; R149-H153 PolarHBondContact O-N 2.93Å; H153-L155 VanDerWaalsContact C-N 3.32Å; H153-L155 PolarHBondContact O-N 2.82Å; H153-T156 WeakPolarHBondContact CA-OG1 3.13Å; H153-T156 PolarHBondContact O-N 3.26Å; H153-T156 PolarHBondContact O-OG1 3.23Å; H153-S157 PolarHBondContact CE1-OG 3.05Å; H153-S157 PolarHBondContact ND1-OG 2.85Å; H153-S157 VanDerWaalsContact ND1-OG 3.16Å; H153-S157 PolarHBondContact NE2-OG 3.22Å; H153-S157 WeakPolarHBondContact O-CB 3.34Å; H153-S157 PolarHBondContact O-N 3.27Å; H153-S157 PolarHBondContact O-OG 2.98Å
154F88.5Confident88.4Confident54 Ų5475.4 Ų75.424%0.23743%0.43CS..Hα-helixtrans-63.9-36.7176.5176.5-98.1000112.8A3 V4 C7 T10 I150 T151 D152A3-F154 HydrophobicContact CB-CE1 4.4Å; A3-F154 HydrophobicContact CB-CE2 3.65Å; A3-F154 HydrophobicContact CB-CZ 3.46Å; A3-F154 VanDerWaalsContact CB-CZ 3.46Å; V4-F154 HydrophobicContact CG2-CB 4.16Å; V4-F154 HydrophobicContact CG2-CD1 3.67Å; V4-F154 HydrophobicContact CG2-CD2 4.26Å; V4-F154 HydrophobicContact CG2-CE1 4.13Å; V4-F154 HydrophobicContact CG2-CG 3.74Å; C7-F154 HydrophobicContact CB-CD2 4.29Å; C7-F154 HydrophobicContact CB-CE2 4.27Å; T10-F154 HydrophobicContact CG2-CB 3.92Å; I150-F154 WeakPolarHBondContact O-CB 3.45Å; I150-F154 PolarHBondContact O-N 3.13Å; T151-F154 WeakPolarHBondContact O-CB 3.1Å; T151-F154 PolarHBondContact O-N 2.86Å; D152-F154 VanDerWaalsContact C-N 3.32Å; D152-F154 PolarHBondContact O-N 3.36Å
155L87.4Confident87.8Confident131 Ų13175.6 Ų75.669%0.68643%0.429SS*.Hα-helixtrans-80.5-25.6-179.1-67.4174.2000113.2T151 D152 H153T151-L155 HydrophobicContact CG2-CD1 4.02Å; T151-L155 HydrophobicContact CG2-CG 4.49Å; T151-L155 WeakPolarHBondContact O-CG 3.06Å; T151-L155 PolarHBondContact O-N 3.15Å; D152-L155 PolarHBondContact O-N 3.48Å; D152-L155 VanDerWaalsContact O-N 3.14Å; H153-L155 VanDerWaalsContact C-N 3.32Å; H153-L155 PolarHBondContact O-N 2.82Å
156T87.8Confident87Confident96 Ų9671.4 Ų71.459%0.58942%0.418SS*.Hα-helixtrans-99-20-177.254.20000113.6D152 H153D152-T156 WeakPolarHBondContact O-CB 3.32Å; D152-T156 WeakPolarHBondContact O-CG2 3.37Å; D152-T156 PolarHBondContact O-N 3.14Å; D152-T156 PolarHBondContact O-OG1 2.78Å; H153-T156 WeakPolarHBondContact CA-OG1 3.13Å; H153-T156 PolarHBondContact O-N 3.26Å; H153-T156 PolarHBondContact O-OG1 3.23Å
157S80.5Confident86.2Confident32 Ų3275.7 Ų75.722%0.22444%0.444CS..SBendtrans-86.6125.6175.7-53.80000109.8H153 C159H153-S157 PolarHBondContact CE1-OG 3.05Å; H153-S157 PolarHBondContact ND1-OG 2.85Å; H153-S157 VanDerWaalsContact ND1-OG 3.16Å; H153-S157 PolarHBondContact NE2-OG 3.22Å; H153-S157 WeakPolarHBondContact O-CB 3.34Å; H153-S157 PolarHBondContact O-N 3.27Å; H153-S157 PolarHBondContact O-OG 2.98Å; S157-C159 PolarHBondContact O-N 2.71Å
158A66.6Low85.4Confident107 Ų10780.8 Ų80.888%0.88447%0.473SS*.  trans-58.8112.6163.700000108
159C56.8Low84.5Confident138 Ų13884.5 Ų84.593%0.93248%0.48SS*.  trans-88.80167.7-69.60000109.5S157S157-C159 PolarHBondContact O-N 2.71Å

Retrieved 159 of 159 residues in 82.9 ms (Link to these results)

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