A0A077YYV0_TRITR Loading...

Ubiquitin conjugating enzyme E2 R1

AlphaFold DB , UniProt , Accession A0A077YYV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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
1M59.2Low91Very high112 Ų11270.8 Ų70.855%0.55236%0.359SS*.  0141.40-155.5-170.8-120.200108.8M5 P66 F67M1-M5 HydrophobicContact CE-CB 4.47Å; M1-M5 HydrophobicContact CG-CB 3.83Å; M1-M5 HydrophobicContact CG-CG 4.42Å; M1-M5 HydrophobicContact SD-CB 3.93Å; M1-P66 VanDerWaalsContact CE-CD 3.45Å; M1-P66 HydrophobicContact CE-CG 4.48Å; M1-F67 HydrophobicContact CB-CD2 3.73Å; M1-F67 HydrophobicContact CB-CE2 3.55Å; M1-F67 HydrophobicContact CE-CD2 3.67Å; M1-F67 HydrophobicContact CE-CE2 3.08Å; M1-F67 HydrophobicContact CE-CZ 3.74Å; M1-F67 HydrophobicContact CG-CD2 4.08Å; M1-F67 HydrophobicContact CG-CE2 3.61Å; M1-F67 HydrophobicContact SD-CD2 3.72Å; M1-F67 HydrophobicContact SD-CE2 3.56Å; M1-F67 VanDerWaalsContact SD-CE2 3.56Å
2S81.7Confident91.4Very high75 Ų7579 Ų7952%0.52438%0.382SS..  trans-74.6140.8171.7174.60000109.9H4 M5S2-H4 PolarHBondContact O-N 3.43Å; S2-H4 WeakPolarHBondContact OG-CB 3.29Å; S2-H4 PolarHBondContact OG-N 2.91Å; S2-M5 WeakPolarHBondContact O-CB 3.43Å; S2-M5 PolarHBondContact O-N 3.03Å
3V91.9Very high91.9Very high62 Ų6274.3 Ų74.338%0.37636%0.359SS..Hα-helixtrans-48.1-29.8170.8178.10000111.5M5 A6 K7 F36 M63V3-M5 PolarHBondContact O-N 3.4Å; V3-A6 PolarHBondContact O-N 2.71Å; V3-K7 WeakPolarHBondContact O-CG 3.4Å; V3-K7 PolarHBondContact O-N 3.22Å; V3-F36 HydrophobicContact CG1-CE2 4.23Å; V3-F36 HydrophobicContact CG1-CZ 3.95Å; V3-M63 HydrophobicContact CG1-SD 4.06Å; V3-M63 HydrophobicContact CG2-CB 4.28Å; V3-M63 HydrophobicContact CG2-SD 4.45Å
4H92.8Very high92.3Very high127 Ų12770.4 Ų70.459%0.58834%0.34SS*.Hα-helixtrans-61.7-38.7176.1-173.174.5000113.6S2 R8S2-H4 PolarHBondContact O-N 3.43Å; S2-H4 WeakPolarHBondContact OG-CB 3.29Å; S2-H4 PolarHBondContact OG-N 2.91Å; H4-R8 PolarHBondContact O-N 2.9Å; H4-R8 VanDerWaalsContact O-N 3.09Å
5M94.1Very high92.5Very high81 Ų8173.9 Ų73.940%0.39935%0.353SS..Hα-helixtrans-70.7-40.5178.3-67.3-69.9-94.800111M1 S2 V3 R8 L9M1-M5 HydrophobicContact CE-CB 4.47Å; M1-M5 HydrophobicContact CG-CB 3.83Å; M1-M5 HydrophobicContact CG-CG 4.42Å; M1-M5 HydrophobicContact SD-CB 3.93Å; S2-M5 WeakPolarHBondContact O-CB 3.43Å; S2-M5 PolarHBondContact O-N 3.03Å; V3-M5 PolarHBondContact O-N 3.4Å; M5-R8 PolarHBondContact O-N 2.84Å; M5-R8 PolarHBondContact SD-NH2 3.2Å; M5-R8 VanDerWaalsContact SD-NH2 3.38Å; M5-L9 PolarHBondContact O-N 2.92Å
6A96.6Very high92.7Very high0 Ų072.4 Ų72.40%035%0.353CS..Hα-helixtrans-58.9-49.8174.500000110.8V3 R8 L9 L10 F36 Y65V3-A6 PolarHBondContact O-N 2.71Å; A6-R8 VanDerWaalsContact C-N 3.33Å; A6-R8 PolarHBondContact O-N 3.43Å; A6-L9 PolarHBondContact O-N 3.35Å; A6-L10 WeakPolarHBondContact O-CG 3.34Å; A6-L10 PolarHBondContact O-N 3.05Å; A6-F36 HydrophobicContact CB-CE1 3.94Å; A6-F36 HydrophobicContact CB-CZ 4.03Å; A6-Y65 WeakPolarHBondContact CA-O 3.35Å; A6-Y65 VanDerWaalsContact CB-O 3.29Å; A6-Y65 WeakPolarHBondContact CB-O 3.47Å
7K96.4Very high92.9Very high92 Ų9268.9 Ų68.940%0.434%0.336SS..Hα-helixtrans-55.1-45174.9-75.1-171.5175.3-165.40112.8V3 L9 L10 A11 L35 F36V3-K7 WeakPolarHBondContact O-CG 3.4Å; V3-K7 PolarHBondContact O-N 3.22Å; K7-L9 PolarHBondContact O-N 3.08Å; K7-L10 PolarHBondContact O-N 3.27Å; K7-A11 WeakPolarHBondContact O-CB 3.41Å; K7-A11 PolarHBondContact O-N 2.95Å; K7-L35 HydrophobicContact CB-CD1 4.06Å; K7-L35 HydrophobicContact CG-CD1 4.33Å; K7-F36 HydrophobicContact CD-CE2 4.3Å; K7-F36 HydrophobicContact CG-CE2 3.59Å; K7-F36 HydrophobicContact CG-CZ 3.83Å
8R96.3Very high92.8Very high158 Ų15870.3 Ų70.360%0.59635%0.349SS*.Hα-helixtrans-64.7-39.2179.6-17117769.2176.63.8112.2H4 M5 A6 R12H4-R8 PolarHBondContact O-N 2.9Å; H4-R8 VanDerWaalsContact O-N 3.09Å; M5-R8 PolarHBondContact O-N 2.84Å; M5-R8 PolarHBondContact SD-NH2 3.2Å; M5-R8 VanDerWaalsContact SD-NH2 3.38Å; A6-R8 VanDerWaalsContact C-N 3.33Å; A6-R8 PolarHBondContact O-N 3.43Å; R8-R12 PolarHBondContact O-N 3.33Å
9L96.8Very high92.9Very high28 Ų2872.2 Ų72.215%0.14736%0.357CS..Hα-helixtrans-68-48.3177.4-177.762.1000111.2M5 A6 K7 A11 R12 E13 Y65 P66M5-L9 PolarHBondContact O-N 2.92Å; A6-L9 PolarHBondContact O-N 3.35Å; K7-L9 PolarHBondContact O-N 3.08Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.15Å; L9-R12 WeakPolarHBondContact O-CA 3.37Å; L9-R12 WeakPolarHBondContact O-CB 3.42Å; L9-R12 PolarHBondContact O-N 3.46Å; L9-E13 PolarHBondContact O-N 3.45Å; L9-Y65 HydrophobicContact CD2-CD1 3.88Å; L9-Y65 HydrophobicContact CD2-CE1 3.53Å; L9-Y65 HydrophobicContact CG-CD1 4.39Å; L9-Y65 HydrophobicContact CG-CE1 3.9Å; L9-P66 HydrophobicContact CD2-CB 3.82Å; L9-P66 VanDerWaalsContact CD2-CD 3.5Å; L9-P66 HydrophobicContact CD2-CG 3.45Å; L9-P66 VanDerWaalsContact CD2-CG 3.45Å
10L97.8Very high92.8Very high0 Ų073.4 Ų73.40%036%0.362CS..Hα-helixtrans-59.5-42.3177.8-68.2170000111.8A6 K7 R12 E13 M14 L35 F36 W38 F61 Y65A6-L10 WeakPolarHBondContact O-CG 3.34Å; A6-L10 PolarHBondContact O-N 3.05Å; K7-L10 PolarHBondContact O-N 3.27Å; L10-R12 VanDerWaalsContact C-N 3.29Å; L10-R12 PolarHBondContact O-N 2.65Å; L10-E13 PolarHBondContact O-N 2.79Å; L10-M14 WeakPolarHBondContact O-CB 3.33Å; L10-M14 PolarHBondContact O-N 2.92Å; L10-L35 HydrophobicContact CB-CB 4.38Å; L10-L35 WeakPolarHBondContact CD1-O 3.09Å; L10-F36 HydrophobicContact CD1-CD1 3.67Å; L10-F36 HydrophobicContact CD1-CE1 3.72Å; L10-F36 HydrophobicContact CD1-CG 4.2Å; L10-F36 HydrophobicContact CD1-CZ 4.31Å; L10-W38 HydrophobicContact CB-CZ2 4.19Å; L10-W38 HydrophobicContact CD2-CZ2 4.09Å; L10-W38 WeakPolarHBondContact O-CZ2 3.24Å; L10-F61 HydrophobicContact CD1-CB 4.07Å; L10-F61 HydrophobicContact CD1-CG 4.2Å; L10-F61 HydrophobicContact CD2-CB 4.29Å; L10-F61 HydrophobicContact CD2-CD1 3.36Å; L10-F61 HydrophobicContact CD2-CD2 4.01Å; L10-F61 HydrophobicContact CD2-CE1 3.46Å; L10-F61 VanDerWaalsContact CD2-CE1 3.46Å; L10-F61 HydrophobicContact CD2-CE2 4.13Å; L10-F61 HydrophobicContact CD2-CG 3.62Å; L10-F61 HydrophobicContact CD2-CZ 3.83Å; L10-Y65 HydrophobicContact CD1-CD1 4.41Å; L10-Y65 HydrophobicContact CD2-CD1 3.54Å; L10-Y65 HydrophobicContact CD2-CE1 3.51Å; L10-Y65 HydrophobicContact CD2-CG 4.17Å; L10-Y65 HydrophobicContact CG-CD1 3.79Å; L10-Y65 HydrophobicContact CG-CE1 4.1Å
11A96.8Very high92.8Very high44 Ų4473.4 Ų73.436%0.36437%0.367SS..Hα-helixtrans-60.6-38174.600000112.5K7 L9 K15 L35K7-A11 WeakPolarHBondContact O-CB 3.41Å; K7-A11 PolarHBondContact O-N 2.95Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.15Å; A11-K15 VanDerWaalsContact O-CB 3.29Å; A11-K15 WeakPolarHBondContact O-CB 3.22Å; A11-K15 PolarHBondContact O-N 3.2Å; A11-L35 HydrophobicContact CB-CD1 4.16Å
12R96.9Very high94.3Very high169 Ų16968.9 Ų68.964%0.63835%0.345SS*.Hα-helixtrans-67.8-43.5176.3-174.5-176.870.3169.14.2111.7R8 L9 L10 K15 S16R8-R12 PolarHBondContact O-N 3.33Å; L9-R12 WeakPolarHBondContact O-CA 3.37Å; L9-R12 WeakPolarHBondContact O-CB 3.42Å; L9-R12 PolarHBondContact O-N 3.46Å; L10-R12 VanDerWaalsContact C-N 3.29Å; L10-R12 PolarHBondContact O-N 2.65Å; R12-K15 PolarHBondContact O-N 3.02Å; R12-S16 WeakPolarHBondContact O-CB 3.39Å; R12-S16 PolarHBondContact O-N 3.46Å
13E97.2Very high94.7Very high18 Ų1870.6 Ų70.68%0.08435%0.345CS..Hα-helixtrans-68-41.8178.9-68.9-163.9-157.100112.1L9 L10 K15 S16 L17 W38 Y65 V117L9-E13 PolarHBondContact O-N 3.45Å; L10-E13 PolarHBondContact O-N 2.79Å; E13-K15 VanDerWaalsContact C-N 3.33Å; E13-K15 PolarHBondContact O-N 3.01Å; E13-S16 PolarHBondContact O-N 3.38Å; E13-L17 PolarHBondContact O-N 3.21Å; E13-W38 HydrophobicContact CB-CH2 4.01Å; E13-Y65 PolarHBondContact OE1-OH 3.18Å; E13-Y65 VanDerWaalsContact OE1-OH 3.12Å; E13-Y65 PolarHBondContact OE2-OH 3.47Å; E13-V117 WeakPolarHBondContact OE2-CB 3.41Å; E13-V117 VanDerWaalsContact OE2-CG2 3.27Å; E13-V117 WeakPolarHBondContact OE2-CG2 3.48Å; E13-V117 PolarHBondContact OE2-N 3.28Å
14M97Very high94.7Very high20 Ų2068 Ų6810%0.09933%0.33CS..Hα-helixtrans-60-45.3174.5-178.557.779.700111L10 S16 L17 T18 V27 L29 W38L10-M14 WeakPolarHBondContact O-CB 3.33Å; L10-M14 PolarHBondContact O-N 2.92Å; M14-S16 PolarHBondContact O-N 3.18Å; M14-L17 PolarHBondContact O-N 3.44Å; M14-T18 WeakPolarHBondContact O-CB 3.38Å; M14-T18 PolarHBondContact O-N 3.41Å; M14-T18 PolarHBondContact O-OG1 3.35Å; M14-V27 HydrophobicContact CE-CG1 3.93Å; M14-V27 HydrophobicContact SD-CG1 4.08Å; M14-L29 HydrophobicContact CE-CD2 3.46Å; M14-L29 VanDerWaalsContact CE-CD2 3.46Å; M14-L29 HydrophobicContact CE-CG 3.82Å; M14-W38 HydrophobicContact CB-CH2 3.77Å; M14-W38 HydrophobicContact CB-CZ2 3.81Å; M14-W38 HydrophobicContact CB-CZ3 4.49Å; M14-W38 HydrophobicContact CE-CB 4.45Å; M14-W38 HydrophobicContact CE-CD2 3.26Å; M14-W38 VanDerWaalsContact CE-CE2 3.43Å; M14-W38 HydrophobicContact CE-CE3 3.53Å; M14-W38 HydrophobicContact CE-CG 3.69Å; M14-W38 HydrophobicContact CE-CH2 4.04Å; M14-W38 HydrophobicContact CE-CZ2 3.83Å; M14-W38 HydrophobicContact CE-CZ3 3.89Å; M14-W38 HydrophobicContact SD-CE3 4.49Å; M14-W38 HydrophobicContact SD-CZ3 4.39Å
15K96.1Very high94.7Very high122 Ų12262.4 Ų62.453%0.5331%0.305SS..Hα-helixtrans-59-47.8175.3-176.5-179.4173-175.50111.3A11 R12 E13 L17 T18 E19A11-K15 VanDerWaalsContact O-CB 3.29Å; A11-K15 WeakPolarHBondContact O-CB 3.22Å; A11-K15 PolarHBondContact O-N 3.2Å; R12-K15 PolarHBondContact O-N 3.02Å; E13-K15 VanDerWaalsContact C-N 3.33Å; E13-K15 PolarHBondContact O-N 3.01Å; K15-L17 PolarHBondContact O-N 3.19Å; K15-T18 PolarHBondContact O-N 2.84Å; K15-T18 VanDerWaalsContact O-N 3.13Å; K15-E19 WeakPolarHBondContact CE-OE1 3.45Å; K15-E19 WeakPolarHBondContact CE-OE2 3.49Å; K15-E19 HydrophobicContact CG-CG 4.37Å; K15-E19 IonicContact NZ-OE1 3.64Å; K15-E19 PolarHBondContact NZ-OE1 3.41Å; K15-E19 PolarHBondContact O-N 2.86Å
16S95.9Very high94.7Very high50 Ų5065 Ų6535%0.3531%0.31SS..Hα-helixtrans-60.8-42.2178.7176.40000112.6R12 E13 M14 T18 E20R12-S16 WeakPolarHBondContact O-CB 3.39Å; R12-S16 PolarHBondContact O-N 3.46Å; E13-S16 PolarHBondContact O-N 3.38Å; M14-S16 PolarHBondContact O-N 3.18Å; S16-T18 VanDerWaalsContact C-N 3.27Å; S16-T18 PolarHBondContact O-N 2.98Å; S16-E20 PolarHBondContact O-N 3.28Å
17L95.1Very high94.7Very high13 Ų1366.5 Ų66.57%0.06832%0.319CS..Hα-helixtrans-71.5-21.1176.7-74.4163.5000113.4E13 M14 K15 P21 M22 W38 V117 L121E13-L17 PolarHBondContact O-N 3.21Å; M14-L17 PolarHBondContact O-N 3.44Å; K15-L17 PolarHBondContact O-N 3.19Å; L17-P21 VanDerWaalsContact O-CA 3.28Å; L17-P21 WeakPolarHBondContact O-CA 3.42Å; L17-M22 HydrophobicContact CD2-CE 4.42Å; L17-W38 HydrophobicContact CD1-CZ3 3.75Å; L17-V117 HydrophobicContact CD1-CB 3.96Å; L17-V117 HydrophobicContact CD1-CG1 3.64Å; L17-L121 HydrophobicContact CD2-CD1 4.48Å
18T92.5Very high94.7Very high94 Ų9467.2 Ų67.258%0.57732%0.322SS*.Hα-helixtrans-82.9-42.1175-56.10000111.5M14 K15 S16M14-T18 WeakPolarHBondContact O-CB 3.38Å; M14-T18 PolarHBondContact O-N 3.41Å; M14-T18 PolarHBondContact O-OG1 3.35Å; K15-T18 PolarHBondContact O-N 2.84Å; K15-T18 VanDerWaalsContact O-N 3.13Å; S16-T18 VanDerWaalsContact C-N 3.27Å; S16-T18 PolarHBondContact O-N 2.98Å
19E93.2Very high94.7Very high106 Ų10661.7 Ų61.750%0.49530%0.304SS..Hα-helixtrans-72.6-36.5177.9-71.5178.8158.600112K15K15-E19 WeakPolarHBondContact CE-OE1 3.45Å; K15-E19 WeakPolarHBondContact CE-OE2 3.49Å; K15-E19 HydrophobicContact CG-CG 4.37Å; K15-E19 IonicContact NZ-OE1 3.64Å; K15-E19 PolarHBondContact NZ-OE1 3.41Å; K15-E19 PolarHBondContact O-N 2.86Å
20E92.4Very high94.7Very high97 Ų9763.9 Ų63.945%0.45332%0.315SS..SBendtrans-128.678.2177.8-66174.4-164.200110S16 R118 M191S16-E20 PolarHBondContact O-N 3.28Å; E20-R118 PolarHBondContact O-NH2 3.19Å; E20-M191 HydrophobicContact CG-CE 4.11Å
21P90.9Very high94.6Very high73 Ų7367.8 Ų67.847%0.47434%0.336SS..PPolyproline II helixtrans-56.6142.9177.7-24.434.9000111.9L17L17-P21 VanDerWaalsContact O-CA 3.28Å; L17-P21 WeakPolarHBondContact O-CA 3.42Å
22M92.4Very high94.4Very high18 Ų1874.3 Ų74.39%0.08936%0.359CS..PPolyproline II helixtrans-82.2137.6171.6-167.6-175.9-46.900109.6L17 G24 F25 R118 L121 L122L17-M22 HydrophobicContact CD2-CE 4.42Å; M22-G24 PolarHBondContact O-N 3.36Å; M22-F25 HydrophobicContact CB-CB 4.24Å; M22-F25 HydrophobicContact CB-CD2 4.07Å; M22-F25 HydrophobicContact CG-CD2 3.85Å; M22-F25 HydrophobicContact CG-CE2 4.39Å; M22-F25 PolarHBondContact O-N 3.23Å; M22-F25 HydrophobicContact SD-CD2 3.52Å; M22-F25 VanDerWaalsContact SD-CD2 3.52Å; M22-F25 HydrophobicContact SD-CE2 3.58Å; M22-F25 VanDerWaalsContact SD-CE2 3.58Å; M22-F25 HydrophobicContact SD-CG 4.45Å; M22-R118 HydrophobicContact CE-CB 4.16Å; M22-R118 HydrophobicContact CE-CG 3.64Å; M22-R118 WeakPolarHBondContact CE-O 3.42Å; M22-L121 HydrophobicContact CE-CB 3.62Å; M22-L121 HydrophobicContact CE-CD1 4.02Å; M22-L121 HydrophobicContact CE-CG 4.4Å; M22-L121 HydrophobicContact SD-CB 3.92Å; M22-L122 HydrophobicContact CE-CG 4.17Å; M22-L122 HydrophobicContact SD-CD2 3.69Å; M22-L122 HydrophobicContact SD-CG 3.89Å
23E90.1Very high94.2Very high110 Ų11074.4 Ų74.451%0.51437%0.367SS..THydrogen-bonded Turntrans-53.1131.7175.7-62.2165.3169.700110.2F25 Y185E23-F25 WeakPolarHBondContact O-CD2 3.38Å; E23-F25 PolarHBondContact O-N 2.99Å; E23-Y185 HydrophobicContact CB-CD1 4.47Å; E23-Y185 HydrophobicContact CB-CE1 4.31Å
24G90.4Very high94.1Very high7 Ų776.2 Ų76.27%0.07238%0.377CS..THydrogen-bonded Turntrans74.20.1-177.500000116.3M22 L42 F43 Y185M22-G24 PolarHBondContact O-N 3.36Å; G24-L42 CarbonylContact O-C 3.48Å; G24-L42 WeakPolarHBondContact O-CA 3.33Å; G24-F43 WeakPolarHBondContact O-CD2 3.4Å; G24-F43 PolarHBondContact O-N 3.43Å; G24-Y185 VanDerWaalsContact CA-CZ 3.41Å; G24-Y185 WeakPolarHBondContact CA-OH 3.43Å
25F94.3Very high94.1Very high11 Ų1177.2 Ų77.25%0.04838%0.382CS..EExtended strand (participates in β ladder)trans-119.4144177.4-67.7-90.9000112.8M22 E23 V40 A41 L42 L121 I125M22-F25 HydrophobicContact CB-CB 4.24Å; M22-F25 HydrophobicContact CB-CD2 4.07Å; M22-F25 HydrophobicContact CG-CD2 3.85Å; M22-F25 HydrophobicContact CG-CE2 4.39Å; M22-F25 PolarHBondContact O-N 3.23Å; M22-F25 HydrophobicContact SD-CD2 3.52Å; M22-F25 VanDerWaalsContact SD-CD2 3.52Å; M22-F25 HydrophobicContact SD-CE2 3.58Å; M22-F25 VanDerWaalsContact SD-CE2 3.58Å; M22-F25 HydrophobicContact SD-CG 4.45Å; E23-F25 WeakPolarHBondContact O-CD2 3.38Å; E23-F25 PolarHBondContact O-N 2.99Å; F25-V40 HydrophobicContact CD1-CG1 3.74Å; F25-V40 HydrophobicContact CE1-CG1 4.25Å; F25-A41 CarbonylContact C-O 3.41Å; F25-A41 VanDerWaalsContact CA-O 3.32Å; F25-A41 WeakPolarHBondContact CA-O 3.37Å; F25-L42 HydrophobicContact CD1-CB 4.35Å; F25-L42 HydrophobicContact CD1-CD1 3.88Å; F25-L42 HydrophobicContact CD2-CD1 4.4Å; F25-L42 HydrophobicContact CE1-CB 4.21Å; F25-L42 HydrophobicContact CE1-CD1 3.19Å; F25-L42 HydrophobicContact CE1-CG 4.29Å; F25-L42 HydrophobicContact CE2-CD1 3.79Å; F25-L42 HydrophobicContact CG-CD1 4.45Å; F25-L42 HydrophobicContact CZ-CD1 3.15Å; F25-L121 HydrophobicContact CB-CD1 4.47Å; F25-L121 HydrophobicContact CD1-CB 4.27Å; F25-L121 HydrophobicContact CD1-CD1 4.04Å; F25-L121 HydrophobicContact CD1-CD2 3.96Å; F25-L121 HydrophobicContact CD1-CG 4.3Å; F25-L121 HydrophobicContact CE1-CB 3.87Å; F25-L121 HydrophobicContact CE1-CD1 4.42Å; F25-L121 HydrophobicContact CE1-CD2 3.72Å; F25-L121 HydrophobicContact CE1-CG 4.19Å; F25-L121 HydrophobicContact CE2-CB 4.15Å; F25-L121 HydrophobicContact CG-CD1 4.2Å; F25-L121 HydrophobicContact CZ-CB 3.8Å; F25-L121 HydrophobicContact CZ-CD2 4.48Å; F25-L121 VanDerWaalsContact CZ-O 3.25Å; F25-L121 WeakPolarHBondContact CZ-O 3.35Å; F25-I125 HydrophobicContact CE2-CB 4.17Å; F25-I125 HydrophobicContact CE2-CD1 4.24Å; F25-I125 HydrophobicContact CE2-CG2 4.31Å; F25-I125 HydrophobicContact CZ-CB 4.01Å; F25-I125 HydrophobicContact CZ-CG2 4.44Å
26R93.9Very high94.2Very high136 Ų13671.7 Ų71.751%0.51336%0.359SS..EExtended strand (participates in β ladder)trans-125.3133.9160.1-74.3174.9-166.2-176.47108.8V40 A41 F43R26-V40 CarbonylContact O-C 3.6Å; R26-V40 WeakPolarHBondContact O-CA 3.41Å; R26-A41 HydrophobicContact CB-CB 4.29Å; R26-A41 PolarHBondContact N-O 3.02Å; R26-A41 PolarHBondContact O-N 3.03Å; R26-F43 HydrophobicContact CG-CE2 3.88Å; R26-F43 HydrophobicContact CG-CZ 4.36Å
27V96.2Very high94.3Very high31 Ų3172.1 Ų72.119%0.18836%0.355CS..EExtended strand (participates in β ladder)trans-125.4134.5-176.9-1770000108.5M14 W38 E39 V40 L121M14-V27 HydrophobicContact CE-CG1 3.93Å; M14-V27 HydrophobicContact SD-CG1 4.08Å; V27-W38 HydrophobicContact CG1-CB 4.49Å; V27-W38 HydrophobicContact CG1-CD2 4.27Å; V27-W38 HydrophobicContact CG1-CE3 3.41Å; V27-W38 VanDerWaalsContact CG1-CE3 3.41Å; V27-W38 HydrophobicContact CG1-CZ3 3.97Å; V27-E39 WeakPolarHBondContact CA-O 3.45Å; V27-V40 HydrophobicContact CG2-CG1 4.47Å; V27-V40 HydrophobicContact CG2-CG2 4.4Å; V27-L121 HydrophobicContact CG2-CD1 3.98Å
28K95.9Very high94.4Very high107 Ų10771.5 Ų71.547%0.46535%0.352SS..EExtended strand (participates in β ladder)trans-146.2161.3173.667-179.1-176.5-164.90110.7W38 E39K28-W38 CarbonylContact O-C 3.53Å; K28-W38 WeakPolarHBondContact O-CA 3.49Å; K28-E39 WeakPolarHBondContact CE-OE1 3.37Å; K28-E39 WeakPolarHBondContact CE-OE2 3.45Å; K28-E39 HydrophobicContact CG-CB 4Å; K28-E39 PolarHBondContact N-O 2.77Å; K28-E39 VanDerWaalsContact NZ-CD 3.33Å; K28-E39 IonicContact NZ-OE1 3.43Å; K28-E39 PolarHBondContact NZ-OE1 3.11Å; K28-E39 IonicContact NZ-OE2 2.73Å; K28-E39 PolarHBondContact NZ-OE2 3.31Å; K28-E39 PolarHBondContact O-N 3.24Å
29L97.5Very high94.7Very high41 Ų4168.6 Ų68.622%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-72.7142.4168-61.5175.3000109.8M14 L35 W38M14-L29 HydrophobicContact CE-CD2 3.46Å; M14-L29 VanDerWaalsContact CE-CD2 3.46Å; M14-L29 HydrophobicContact CE-CG 3.82Å; L29-L35 HydrophobicContact CD1-CD2 3.81Å; L29-L35 HydrophobicContact CD2-CD2 4.15Å; L29-W38 VanDerWaalsContact CD2-CD1 3.48Å; L29-W38 HydrophobicContact CD2-CG 4.26Å
30I96.4Very high94.9Very high75 Ų7563.6 Ų63.639%0.38531%0.308SS..EExtended strand (participates in β ladder)trans-72.1-40.7171-60.6-166000110.1E37 E39 I58I30-E37 HydrophobicContact CD1-CG 3.67Å; I30-E37 HydrophobicContact CG1-CG 4.22Å; I30-E37 PolarHBondContact N-O 3.16Å; I30-E37 VanDerWaalsContact N-O 3.16Å; I30-E39 HydrophobicContact CD1-CB 4.39Å; I30-E39 HydrophobicContact CG1-CB 3.95Å; I30-I58 HydrophobicContact CD1-CD1 4.1Å; I30-I58 HydrophobicContact CD1-CG1 3.92Å; I30-I58 HydrophobicContact CD1-CG2 4.1Å
31N95.1Very high95.1Very high81 Ų8159.2 Ų59.243%0.43329%0.288SS..EExtended strand (participates in β ladder)trans-128.9127173.3180-1.5000108.8E33 D34N31-E33 PolarHBondContact O-N 3.04Å; N31-E33 VanDerWaalsContact O-N 3.11Å; N31-E33 PolarHBondContact OD1-N 3.02Å; N31-D34 HydrophobicContact CB-CB 4.25Å; N31-D34 PolarHBondContact O-N 2.93Å; N31-D34 VanDerWaalsContact O-O 3.09Å
32E92.9Very high95.4Very high181 Ų18156 Ų5685%0.84627%0.267SS*.THydrogen-bonded Turntrans-60.7-21.7-179.9-61.8-173.815400113.2
33E93.2Very high95.5Very high171 Ų17155.5 Ų55.580%0.79927%0.265SS*.THydrogen-bonded Turntrans-84.6-15.2176.6-59.3-175.6169.700113.5N31N31-E33 PolarHBondContact O-N 3.04Å; N31-E33 VanDerWaalsContact O-N 3.11Å; N31-E33 PolarHBondContact OD1-N 3.02Å
34D94.7Very high95.6Very high57 Ų5750.3 Ų50.331%0.30524%0.24SC..EExtended strand (participates in β ladder)trans-117.9107.7-177.3-168.75.6000112.5N31 F36N31-D34 HydrophobicContact CB-CB 4.25Å; N31-D34 PolarHBondContact O-N 2.93Å; N31-D34 VanDerWaalsContact O-O 3.09Å; D34-F36 VanDerWaalsContact C-N 3.25Å; D34-F36 PolarHBondContact O-N 3.45Å; D34-F36 WeakPolarHBondContact OD1-CB 3.33Å; D34-F36 WeakPolarHBondContact OD1-CD2 3.41Å; D34-F36 PolarHBondContact OD1-N 3.28Å
35L96.5Very high95.6Very high40 Ų4051 Ų5121%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-77.6-6.5176.9-66176.1000113.6K7 L10 A11 L29 W38K7-L35 HydrophobicContact CB-CD1 4.06Å; K7-L35 HydrophobicContact CG-CD1 4.33Å; L10-L35 HydrophobicContact CB-CB 4.38Å; L10-L35 WeakPolarHBondContact CD1-O 3.09Å; A11-L35 HydrophobicContact CB-CD1 4.16Å; L29-L35 HydrophobicContact CD1-CD2 3.81Å; L29-L35 HydrophobicContact CD2-CD2 4.15Å; L35-W38 PolarHBondContact O-NE1 2.99Å
36F97.9Very high95.3Very high7 Ų751.8 Ų51.83%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-96.31.3-173.6-66.5-89.6000114.2V3 A6 K7 L10 D34 Q60 F61 M63V3-F36 HydrophobicContact CG1-CE2 4.23Å; V3-F36 HydrophobicContact CG1-CZ 3.95Å; A6-F36 HydrophobicContact CB-CE1 3.94Å; A6-F36 HydrophobicContact CB-CZ 4.03Å; K7-F36 HydrophobicContact CD-CE2 4.3Å; K7-F36 HydrophobicContact CG-CE2 3.59Å; K7-F36 HydrophobicContact CG-CZ 3.83Å; L10-F36 HydrophobicContact CD1-CD1 3.67Å; L10-F36 HydrophobicContact CD1-CE1 3.72Å; L10-F36 HydrophobicContact CD1-CG 4.2Å; L10-F36 HydrophobicContact CD1-CZ 4.31Å; D34-F36 VanDerWaalsContact C-N 3.25Å; D34-F36 PolarHBondContact O-N 3.45Å; D34-F36 WeakPolarHBondContact OD1-CB 3.33Å; D34-F36 WeakPolarHBondContact OD1-CD2 3.41Å; D34-F36 PolarHBondContact OD1-N 3.28Å; F36-Q60 WeakPolarHBondContact O-CA 3.48Å; F36-F61 HydrophobicContact CB-CB 4.39Å; F36-F61 HydrophobicContact CD1-CB 3.89Å; F36-F61 WeakPolarHBondContact O-CD2 3.21Å; F36-F61 PolarHBondContact O-N 2.99Å; F36-M63 HydrophobicContact CD1-CE 4.45Å; F36-M63 HydrophobicContact CD1-SD 4.33Å; F36-M63 HydrophobicContact CD2-CE 4.1Å; F36-M63 HydrophobicContact CD2-SD 4.28Å; F36-M63 HydrophobicContact CE1-SD 4.01Å; F36-M63 HydrophobicContact CE2-CE 4.33Å; F36-M63 HydrophobicContact CE2-SD 3.93Å; F36-M63 HydrophobicContact CG-CE 4.16Å; F36-M63 HydrophobicContact CG-SD 4.47Å; F36-M63 HydrophobicContact CZ-SD 3.81Å
37E98.2Very high95Very high59 Ų5949.9 Ų49.928%0.27626%0.263SS..EExtended strand (participates in β ladder)trans-137.5115.5177.9-160.4-177-17600112I30 I58I30-E37 HydrophobicContact CD1-CG 3.67Å; I30-E37 HydrophobicContact CG1-CG 4.22Å; I30-E37 PolarHBondContact N-O 3.16Å; I30-E37 VanDerWaalsContact N-O 3.16Å; E37-I58 HydrophobicContact CG-CG2 3.71Å
38W98.4Very high94.8Very high0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-117.5138.8-174.4-58.811.9000110.2L10 E13 M14 L17 V27 K28 L29 L35 I58 L59 F61 V117L10-W38 HydrophobicContact CB-CZ2 4.19Å; L10-W38 HydrophobicContact CD2-CZ2 4.09Å; L10-W38 WeakPolarHBondContact O-CZ2 3.24Å; E13-W38 HydrophobicContact CB-CH2 4.01Å; M14-W38 HydrophobicContact CB-CH2 3.77Å; M14-W38 HydrophobicContact CB-CZ2 3.81Å; M14-W38 HydrophobicContact CB-CZ3 4.49Å; M14-W38 HydrophobicContact CE-CB 4.45Å; M14-W38 HydrophobicContact CE-CD2 3.26Å; M14-W38 VanDerWaalsContact CE-CE2 3.43Å; M14-W38 HydrophobicContact CE-CE3 3.53Å; M14-W38 HydrophobicContact CE-CG 3.69Å; M14-W38 HydrophobicContact CE-CH2 4.04Å; M14-W38 HydrophobicContact CE-CZ2 3.83Å; M14-W38 HydrophobicContact CE-CZ3 3.89Å; M14-W38 HydrophobicContact SD-CE3 4.49Å; M14-W38 HydrophobicContact SD-CZ3 4.39Å; L17-W38 HydrophobicContact CD1-CZ3 3.75Å; V27-W38 HydrophobicContact CG1-CB 4.49Å; V27-W38 HydrophobicContact CG1-CD2 4.27Å; V27-W38 HydrophobicContact CG1-CE3 3.41Å; V27-W38 VanDerWaalsContact CG1-CE3 3.41Å; V27-W38 HydrophobicContact CG1-CZ3 3.97Å; K28-W38 CarbonylContact O-C 3.53Å; K28-W38 WeakPolarHBondContact O-CA 3.49Å; L29-W38 VanDerWaalsContact CD2-CD1 3.48Å; L29-W38 HydrophobicContact CD2-CG 4.26Å; L35-W38 PolarHBondContact O-NE1 2.99Å; W38-I58 WeakPolarHBondContact O-CA 3.47Å; W38-L59 HydrophobicContact CB-CB 4.38Å; W38-L59 PolarHBondContact N-O 3.45Å; W38-L59 PolarHBondContact O-N 3.42Å; W38-F61 HydrophobicContact CB-CE2 4.31Å; W38-F61 AromaticContact CD1-CE2 3.6Å; W38-F61 AromaticContact CD2-CE2 3.53Å; W38-F61 HydrophobicContact CD2-CE2 3.53Å; W38-F61 AromaticContact CD2-CZ 3.84Å; W38-F61 HydrophobicContact CD2-CZ 3.84Å; W38-F61 AromaticContact CE2-CE2 3.56Å; W38-F61 AromaticContact CE2-CZ 3.87Å; W38-F61 HydrophobicContact CE3-CE2 4.17Å; W38-F61 HydrophobicContact CE3-CZ 4.04Å; W38-F61 AromaticContact CG-CE2 3.58Å; W38-F61 HydrophobicContact CG-CE2 3.58Å; W38-F61 HydrophobicContact CG-CZ 4.33Å; W38-F61 HydrophobicContact CH2-CZ 4.37Å; W38-F61 HydrophobicContact CZ2-CE2 4.25Å; W38-F61 HydrophobicContact CZ2-CZ 4.15Å; W38-F61 HydrophobicContact CZ3-CZ 4.32Å; W38-F61 AromaticContact NE1-CE2 3.54Å; W38-V117 HydrophobicContact CE3-CG1 4.22Å; W38-V117 HydrophobicContact CE3-CG2 4.44Å; W38-V117 HydrophobicContact CH2-CG2 4.06Å; W38-V117 HydrophobicContact CZ3-CB 4.14Å; W38-V117 HydrophobicContact CZ3-CG1 3.84Å; W38-V117 HydrophobicContact CZ3-CG2 3.81Å
39E97.9Very high94.7Very high32 Ų3246.5 Ų46.515%0.1525%0.251CS..EExtended strand (participates in β ladder)trans-90.8127.9165.9-174.5-179.1117.700108.7V27 K28 I30V27-E39 WeakPolarHBondContact CA-O 3.45Å; K28-E39 WeakPolarHBondContact CE-OE1 3.37Å; K28-E39 WeakPolarHBondContact CE-OE2 3.45Å; K28-E39 HydrophobicContact CG-CB 4Å; K28-E39 PolarHBondContact N-O 2.77Å; K28-E39 VanDerWaalsContact NZ-CD 3.33Å; K28-E39 IonicContact NZ-OE1 3.43Å; K28-E39 PolarHBondContact NZ-OE1 3.11Å; K28-E39 IonicContact NZ-OE2 2.73Å; K28-E39 PolarHBondContact NZ-OE2 3.31Å; K28-E39 PolarHBondContact O-N 3.24Å; I30-E39 HydrophobicContact CD1-CB 4.39Å; I30-E39 HydrophobicContact CG1-CB 3.95Å
40V97.8Very high94.6Very high1 Ų145 Ų451%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-115121.3176.1-178.50000107.9F25 R26 V27 K56 A57 L59 L121F25-V40 HydrophobicContact CD1-CG1 3.74Å; F25-V40 HydrophobicContact CE1-CG1 4.25Å; R26-V40 CarbonylContact O-C 3.6Å; R26-V40 WeakPolarHBondContact O-CA 3.41Å; V27-V40 HydrophobicContact CG2-CG1 4.47Å; V27-V40 HydrophobicContact CG2-CG2 4.4Å; V40-K56 CarbonylContact O-C 3.56Å; V40-K56 WeakPolarHBondContact O-CA 3.43Å; V40-A57 PolarHBondContact N-O 3.31Å; V40-A57 PolarHBondContact O-N 3.18Å; V40-L59 HydrophobicContact CG2-CB 4.32Å; V40-L121 HydrophobicContact CG1-CD2 3.77Å; V40-L121 HydrophobicContact CG2-CD2 4.32Å
41A96.9Very high94.5Very high5 Ų546 Ų464%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-101.4125.4166.900000109.4F25 R26 Y54 L55F25-A41 CarbonylContact C-O 3.41Å; F25-A41 VanDerWaalsContact CA-O 3.32Å; F25-A41 WeakPolarHBondContact CA-O 3.37Å; R26-A41 HydrophobicContact CB-CB 4.29Å; R26-A41 PolarHBondContact N-O 3.02Å; R26-A41 PolarHBondContact O-N 3.03Å; A41-Y54 HydrophobicContact CB-CD2 4.29Å; A41-Y54 HydrophobicContact CB-CE2 3.62Å; A41-L55 CarbonylContact C-O 3.12Å; A41-L55 WeakPolarHBondContact CA-O 3.4Å
42L95.9Very high94.4Very high6 Ų643.3 Ų43.33%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-107129.5173.5176.7103.8000109.2G24 F25 L55 I125 L128G24-L42 CarbonylContact O-C 3.48Å; G24-L42 WeakPolarHBondContact O-CA 3.33Å; F25-L42 HydrophobicContact CD1-CB 4.35Å; F25-L42 HydrophobicContact CD1-CD1 3.88Å; F25-L42 HydrophobicContact CD2-CD1 4.4Å; F25-L42 HydrophobicContact CE1-CB 4.21Å; F25-L42 HydrophobicContact CE1-CD1 3.19Å; F25-L42 HydrophobicContact CE1-CG 4.29Å; F25-L42 HydrophobicContact CE2-CD1 3.79Å; F25-L42 HydrophobicContact CG-CD1 4.45Å; F25-L42 HydrophobicContact CZ-CD1 3.15Å; L42-L55 HydrophobicContact CB-CB 4.36Å; L42-L55 HydrophobicContact CD2-CB 4.32Å; L42-L55 HydrophobicContact CD2-CD1 3.69Å; L42-L55 HydrophobicContact CD2-CG 4.19Å; L42-L55 PolarHBondContact N-O 2.81Å; L42-L55 PolarHBondContact O-N 3.09Å; L42-I125 HydrophobicContact CD1-CB 4.38Å; L42-I125 HydrophobicContact CD1-CD1 4.42Å; L42-I125 HydrophobicContact CD1-CG1 4.45Å; L42-L128 HydrophobicContact CD2-CD1 3.38Å
43F94.8Very high94.5Very high8 Ų834.7 Ų34.74%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-94.3133169.3-55.8-69.5000109.9G24 R26 G53 Y54 V176 V178 P179 Y185G24-F43 WeakPolarHBondContact O-CD2 3.4Å; G24-F43 PolarHBondContact O-N 3.43Å; R26-F43 HydrophobicContact CG-CE2 3.88Å; R26-F43 HydrophobicContact CG-CZ 4.36Å; F43-G53 WeakPolarHBondContact CA-O 3.45Å; F43-Y54 HydrophobicContact CD1-CD2 4.13Å; F43-Y54 AromaticContact CE1-CD2 3.55Å; F43-Y54 HydrophobicContact CE1-CD2 3.55Å; F43-Y54 HydrophobicContact CE1-CE2 4.07Å; F43-Y54 HydrophobicContact CZ-CD2 4.31Å; F43-Y54 HydrophobicContact CZ-CE2 4.41Å; F43-V176 HydrophobicContact CE1-CG1 3.54Å; F43-V176 HydrophobicContact CZ-CG1 3.71Å; F43-V178 HydrophobicContact CD1-CG1 4.11Å; F43-V178 HydrophobicContact CD1-CG2 4.47Å; F43-V178 HydrophobicContact CE1-CG2 4.48Å; F43-P179 HydrophobicContact CB-CG 3.75Å; F43-P179 HydrophobicContact CD1-CG 4.34Å; F43-P179 HydrophobicContact CD2-CG 4.3Å; F43-P179 HydrophobicContact CG-CG 3.87Å; F43-Y185 HydrophobicContact CB-CE2 4.03Å; F43-Y185 VanDerWaalsContact O-CE2 3.27Å; F43-Y185 WeakPolarHBondContact O-CE2 3.45Å; F43-Y185 PolarHBondContact O-OH 3.28Å; F43-Y185 VanDerWaalsContact O-OH 3.12Å
44G92.4Very high94.7Very high0 Ų026.9 Ų26.90%016%0.159CC..PPolyproline II helixtrans-68.5128.1176.500000111.5Y50 G53G44-Y50 WeakPolarHBondContact CA-O 3.31Å; G44-G53 PolarHBondContact N-O 3.25Å
45P90.1Very high94.8Very high23 Ų2324.2 Ų24.215%0.14915%0.145CC..PPolyproline II helixtrans-61.7147.3-178.7-15.323.8000112.3T48 E51 I125 Y185P45-T48 HydrophobicContact CB-CG2 3.82Å; P45-T48 HydrophobicContact CG-CG2 4.15Å; P45-T48 PolarHBondContact O-N 3.27Å; P45-T48 PolarHBondContact O-OG1 3.41Å; P45-E51 WeakPolarHBondContact O-CA 3.48Å; P45-I125 HydrophobicContact CG-CD1 4.26Å; P45-Y185 HydrophobicContact CB-CE1 4.35Å; P45-Y185 HydrophobicContact CB-CE2 4.23Å; P45-Y185 HydrophobicContact CG-CE2 4.38Å; P45-Y185 WeakPolarHBondContact CG-OH 3.32Å
46P89.4Confident94.9Very high27 Ų2723.3 Ų23.318%0.17514%0.14CC..THydrogen-bonded Turntrans-55.7150170.7-22.532.8000112.1T48 V182P46-T48 PolarHBondContact O-N 3.28Å; P46-V182 HydrophobicContact CB-CG2 4.19Å; P46-V182 HydrophobicContact CG-CG2 4.25Å
47A87.8Confident94.9Very high96 Ų9623 Ų2379%0.79314%0.139SC*.THydrogen-bonded Turntrans61.821.5-178.700000115.2E51A47-E51 WeakPolarHBondContact CA-OE2 3.35Å; A47-E51 PolarHBondContact N-OE2 3.43Å
48T91.1Very high94.9Very high39 Ų3921.1 Ų21.124%0.23913%0.13CC..SBendtrans-113.5167.217272.70000111.2P45 P46 Y50 E51P45-T48 HydrophobicContact CB-CG2 3.82Å; P45-T48 HydrophobicContact CG-CG2 4.15Å; P45-T48 PolarHBondContact O-N 3.27Å; P45-T48 PolarHBondContact O-OG1 3.41Å; P46-T48 PolarHBondContact O-N 3.28Å; T48-Y50 PolarHBondContact O-N 3.16Å; T48-Y50 VanDerWaalsContact O-N 3.14Å; T48-Y50 PolarHBondContact OG1-N 3.47Å; T48-Y50 VanDerWaalsContact OG1-N 3.16Å; T48-E51 WeakPolarHBondContact O-CB 3.36Å; T48-E51 PolarHBondContact O-N 3.01Å; T48-E51 VanDerWaalsContact O-N 3.16Å; T48-E51 PolarHBondContact OG1-N 3.46Å
49I94.3Very high94.9Very high28 Ų2821.1 Ų21.114%0.14413%0.13CC..THydrogen-bonded Turntrans-64.2-13.3170.760.7174.1000113Y156 A157 V160I49-Y156 HydrophobicContact CD1-CD1 3.97Å; I49-Y156 HydrophobicContact CD1-CE1 3.62Å; I49-A157 HydrophobicContact CG2-CB 3.95Å; I49-V160 HydrophobicContact CB-CG1 4.22Å; I49-V160 HydrophobicContact CD1-CB 4.06Å; I49-V160 HydrophobicContact CD1-CG1 3.93Å; I49-V160 HydrophobicContact CD1-CG2 4Å; I49-V160 HydrophobicContact CG1-CB 4.46Å; I49-V160 HydrophobicContact CG1-CG1 3.91Å
50Y94.9Very high95Very high10 Ų1024.9 Ų24.94%0.03915%0.148CC..THydrogen-bonded Turntrans-94.5-5.8177.6-67.7-79.6000113.7G44 T48 G52 G53 L55 H80 L128 V160 V164G44-Y50 WeakPolarHBondContact CA-O 3.31Å; T48-Y50 PolarHBondContact O-N 3.16Å; T48-Y50 VanDerWaalsContact O-N 3.14Å; T48-Y50 PolarHBondContact OG1-N 3.47Å; T48-Y50 VanDerWaalsContact OG1-N 3.16Å; Y50-G52 PolarHBondContact O-N 2.84Å; Y50-G53 WeakPolarHBondContact O-CA 3.32Å; Y50-G53 PolarHBondContact O-N 2.95Å; Y50-L55 HydrophobicContact CD1-CD1 4.02Å; Y50-L55 HydrophobicContact CE1-CD1 4.31Å; Y50-H80 PolarHBondContact OH-CD2 3.3Å; Y50-L128 HydrophobicContact CE2-CB 4.38Å; Y50-L128 VanDerWaalsContact CE2-O 3.31Å; Y50-L128 WeakPolarHBondContact CE2-O 3.31Å; Y50-V160 HydrophobicContact CD1-CG1 3.71Å; Y50-V160 HydrophobicContact CD2-CG1 4.47Å; Y50-V160 HydrophobicContact CE1-CG1 3.46Å; Y50-V160 VanDerWaalsContact CE1-CG1 3.46Å; Y50-V160 HydrophobicContact CE2-CG1 4.25Å; Y50-V160 HydrophobicContact CG-CG1 4.21Å; Y50-V164 HydrophobicContact CD1-CG2 4.36Å
51E93.8Very high95Very high95 Ų9525.2 Ų25.244%0.44415%0.149SC..THydrogen-bonded Turntrans-47.2128.5-176.2177.7178.9145.800112.6P45 A47 T48 G53 V164P45-E51 WeakPolarHBondContact O-CA 3.48Å; A47-E51 WeakPolarHBondContact CA-OE2 3.35Å; A47-E51 PolarHBondContact N-OE2 3.43Å; T48-E51 WeakPolarHBondContact O-CB 3.36Å; T48-E51 PolarHBondContact O-N 3.01Å; T48-E51 VanDerWaalsContact O-N 3.16Å; T48-E51 PolarHBondContact OG1-N 3.46Å; E51-G53 VanDerWaalsContact C-N 3.25Å; E51-G53 PolarHBondContact O-N 2.8Å; E51-V164 VanDerWaalsContact O-CG1 3.28Å; E51-V164 WeakPolarHBondContact O-CG1 3.44Å
52G93.4Very high95Very high25 Ų2526.6 Ų26.626%0.25816%0.158SC..THydrogen-bonded Turntrans78.35.5-177.400000114.5Y50Y50-G52 PolarHBondContact O-N 2.84Å
53G95.6Very high95Very high0 Ų031.4 Ų31.40%018%0.181CC..  trans-74.8141.817600000112.8F43 G44 Y50 E51F43-G53 WeakPolarHBondContact CA-O 3.45Å; G44-G53 PolarHBondContact N-O 3.25Å; Y50-G53 WeakPolarHBondContact O-CA 3.32Å; Y50-G53 PolarHBondContact O-N 2.95Å; E51-G53 VanDerWaalsContact C-N 3.25Å; E51-G53 PolarHBondContact O-N 2.8Å
54Y97.4Very high95Very high6 Ų633.7 Ų33.72%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-119.389.5169.6174.9-120000109.3A41 F43 K56 T167 D170 A171 D174 V176A41-Y54 HydrophobicContact CB-CD2 4.29Å; A41-Y54 HydrophobicContact CB-CE2 3.62Å; F43-Y54 HydrophobicContact CD1-CD2 4.13Å; F43-Y54 AromaticContact CE1-CD2 3.55Å; F43-Y54 HydrophobicContact CE1-CD2 3.55Å; F43-Y54 HydrophobicContact CE1-CE2 4.07Å; F43-Y54 HydrophobicContact CZ-CD2 4.31Å; F43-Y54 HydrophobicContact CZ-CE2 4.41Å; Y54-K56 HydrophobicContact CE1-CD 3.86Å; Y54-K56 HydrophobicContact CE1-CG 4.06Å; Y54-K56 HydrophobicContact CE2-CG 4.48Å; Y54-T167 PolarHBondContact N-OG1 3.29Å; Y54-T167 VanDerWaalsContact O-CB 3.28Å; Y54-T167 WeakPolarHBondContact O-CB 3.34Å; Y54-T167 WeakPolarHBondContact O-CG2 2.94Å; Y54-D170 HydrophobicContact CD1-CB 3.92Å; Y54-D170 HydrophobicContact CE1-CB 4.18Å; Y54-A171 VanDerWaalsContact CD1-CA 3.5Å; Y54-A171 HydrophobicContact CD1-CB 3.72Å; Y54-A171 HydrophobicContact CE1-CB 4.39Å; Y54-A171 HydrophobicContact CG-CB 3.92Å; Y54-D174 HydrophobicContact CE1-CB 4.21Å; Y54-D174 VanDerWaalsContact CE1-OD2 3.28Å; Y54-D174 WeakPolarHBondContact CE1-OD2 3.48Å; Y54-D174 PolarHBondContact OH-OD2 2.86Å; Y54-V176 HydrophobicContact CD2-CG1 4.17Å; Y54-V176 HydrophobicContact CE2-CB 4.23Å; Y54-V176 HydrophobicContact CE2-CG1 3.96Å; Y54-V176 HydrophobicContact CE2-CG2 4.07Å
55L97.3Very high95.3Very high1 Ų133.7 Ų33.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-98.1127.6-173.4-42.5-173.1000109.4A41 L42 Y50 F74 T76 L78 L128 T167A41-L55 CarbonylContact C-O 3.12Å; A41-L55 WeakPolarHBondContact CA-O 3.4Å; L42-L55 HydrophobicContact CB-CB 4.36Å; L42-L55 HydrophobicContact CD2-CB 4.32Å; L42-L55 HydrophobicContact CD2-CD1 3.69Å; L42-L55 HydrophobicContact CD2-CG 4.19Å; L42-L55 PolarHBondContact N-O 2.81Å; L42-L55 PolarHBondContact O-N 3.09Å; Y50-L55 HydrophobicContact CD1-CD1 4.02Å; Y50-L55 HydrophobicContact CE1-CD1 4.31Å; L55-F74 HydrophobicContact CB-CD1 4.42Å; L55-F74 HydrophobicContact CB-CE1 4.14Å; L55-T76 HydrophobicContact CD2-CG2 4.14Å; L55-L78 HydrophobicContact CD1-CD1 4.07Å; L55-L78 HydrophobicContact CD1-CD2 4.06Å; L55-L78 HydrophobicContact CD2-CD2 4.05Å; L55-L128 HydrophobicContact CD1-CD1 4.5Å; L55-T167 HydrophobicContact CD2-CG2 3.91Å
56K97.9Very high95.5Very high21 Ų2133 Ų339%0.09119%0.19CC..EExtended strand (participates in β ladder)trans-107.7139.4179-65.6-169.7-69.3-172.30111.3V40 Y54 F74 I75 T76 D174V40-K56 CarbonylContact O-C 3.56Å; V40-K56 WeakPolarHBondContact O-CA 3.43Å; Y54-K56 HydrophobicContact CE1-CD 3.86Å; Y54-K56 HydrophobicContact CE1-CG 4.06Å; Y54-K56 HydrophobicContact CE2-CG 4.48Å; K56-F74 CarbonylContact O-C 3.57Å; K56-F74 WeakPolarHBondContact O-CA 3.33Å; K56-I75 HydrophobicContact CB-CB 4.28Å; K56-I75 HydrophobicContact CB-CD1 4.18Å; K56-I75 PolarHBondContact O-N 3.41Å; K56-T76 PolarHBondContact N-OG1 3.02Å; K56-T76 PolarHBondContact O-N 3.27Å; K56-D174 IonicContact NZ-OD1 2.79Å; K56-D174 IonicContact NZ-OD2 3.46Å; K56-D174 PolarHBondContact NZ-OD2 2.91Å
57A98.5Very high95.7Very high1 Ų136.7 Ų36.71%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-137.6159.2175.100000111.2V40 M72 R73 F74V40-A57 PolarHBondContact N-O 3.31Å; V40-A57 PolarHBondContact O-N 3.18Å; A57-M72 HydrophobicContact CB-CE 3.48Å; A57-M72 VanDerWaalsContact CB-CE 3.48Å; A57-M72 HydrophobicContact CB-CG 4.28Å; A57-R73 CarbonylContact C-O 3.52Å; A57-R73 VanDerWaalsContact CA-O 3.25Å; A57-R73 WeakPolarHBondContact CA-O 3.38Å; A57-F74 HydrophobicContact CB-CD1 3.86Å; A57-F74 HydrophobicContact CB-CE1 4.13Å; A57-F74 HydrophobicContact CB-CG 4.21Å
58I98.5Very high96.1Very high20 Ų2034 Ų3410%0.10318%0.178CC..EExtended strand (participates in β ladder)trans-111131.8171.7-63.3172.8000107.6I30 E37 W38 M72 R73 I75I30-I58 HydrophobicContact CD1-CD1 4.1Å; I30-I58 HydrophobicContact CD1-CG1 3.92Å; I30-I58 HydrophobicContact CD1-CG2 4.1Å; E37-I58 HydrophobicContact CG-CG2 3.71Å; W38-I58 WeakPolarHBondContact O-CA 3.47Å; I58-M72 WeakPolarHBondContact O-CA 3.44Å; I58-R73 PolarHBondContact N-O 2.82Å; I58-R73 PolarHBondContact O-N 3.48Å; I58-I75 HydrophobicContact CD1-CD1 3.82Å; I58-I75 HydrophobicContact CD1-CG1 3.86Å; I58-I75 HydrophobicContact CG1-CD1 3.6Å; I58-I75 HydrophobicContact CG1-CG1 3.82Å
59L98.4Very high96.4Very high0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-108.1117169.7-167.368000108.2W38 V40 F61 P70 T71 M72 V117W38-L59 HydrophobicContact CB-CB 4.38Å; W38-L59 PolarHBondContact N-O 3.45Å; W38-L59 PolarHBondContact O-N 3.42Å; V40-L59 HydrophobicContact CG2-CB 4.32Å; L59-F61 HydrophobicContact CB-CE2 4.28Å; L59-F61 HydrophobicContact CD2-CE1 3.96Å; L59-F61 HydrophobicContact CD2-CE2 3.89Å; L59-F61 HydrophobicContact CD2-CZ 3.3Å; L59-F61 HydrophobicContact CG-CE1 4.3Å; L59-F61 HydrophobicContact CG-CE2 3.89Å; L59-F61 HydrophobicContact CG-CZ 3.73Å; L59-P70 HydrophobicContact CD1-CB 3.87Å; L59-P70 HydrophobicContact CD1-CG 3.92Å; L59-P70 HydrophobicContact CG-CB 4.09Å; L59-P70 HydrophobicContact CG-CG 4.38Å; L59-T71 WeakPolarHBondContact CA-O 3.42Å; L59-M72 HydrophobicContact CD1-CB 3.85Å; L59-M72 HydrophobicContact CD1-CG 4.28Å; L59-V117 HydrophobicContact CD2-CB 4.48Å; L59-V117 HydrophobicContact CD2-CG1 3.75Å; L59-V117 HydrophobicContact CD2-CG2 4Å
60Q98.3Very high96.5Very high110 Ų11031.9 Ų31.951%0.51417%0.167SC..EExtended strand (participates in β ladder)trans-113.7123.6-177-173.6177.8-200110.2F36 P70 T71F36-Q60 WeakPolarHBondContact O-CA 3.48Å; Q60-P70 CarbonylContact O-C 3.51Å; Q60-P70 WeakPolarHBondContact O-CA 3.25Å; Q60-P70 VanDerWaalsContact O-CB 3.23Å; Q60-P70 WeakPolarHBondContact O-CB 3.45Å; Q60-T71 PolarHBondContact N-O 3.17Å; Q60-T71 PolarHBondContact O-N 3.46Å
61F98.2Very high96.7Very high8 Ų834.5 Ų34.54%0.03518%0.184CC..  trans-100.3139.7-173.1-60.9-93.1000111.6L10 F36 W38 L59 Y65 P70 V117L10-F61 HydrophobicContact CD1-CB 4.07Å; L10-F61 HydrophobicContact CD1-CG 4.2Å; L10-F61 HydrophobicContact CD2-CB 4.29Å; L10-F61 HydrophobicContact CD2-CD1 3.36Å; L10-F61 HydrophobicContact CD2-CD2 4.01Å; L10-F61 HydrophobicContact CD2-CE1 3.46Å; L10-F61 VanDerWaalsContact CD2-CE1 3.46Å; L10-F61 HydrophobicContact CD2-CE2 4.13Å; L10-F61 HydrophobicContact CD2-CG 3.62Å; L10-F61 HydrophobicContact CD2-CZ 3.83Å; F36-F61 HydrophobicContact CB-CB 4.39Å; F36-F61 HydrophobicContact CD1-CB 3.89Å; F36-F61 WeakPolarHBondContact O-CD2 3.21Å; F36-F61 PolarHBondContact O-N 2.99Å; W38-F61 HydrophobicContact CB-CE2 4.31Å; W38-F61 AromaticContact CD1-CE2 3.6Å; W38-F61 AromaticContact CD2-CE2 3.53Å; W38-F61 HydrophobicContact CD2-CE2 3.53Å; W38-F61 AromaticContact CD2-CZ 3.84Å; W38-F61 HydrophobicContact CD2-CZ 3.84Å; W38-F61 AromaticContact CE2-CE2 3.56Å; W38-F61 AromaticContact CE2-CZ 3.87Å; W38-F61 HydrophobicContact CE3-CE2 4.17Å; W38-F61 HydrophobicContact CE3-CZ 4.04Å; W38-F61 AromaticContact CG-CE2 3.58Å; W38-F61 HydrophobicContact CG-CE2 3.58Å; W38-F61 HydrophobicContact CG-CZ 4.33Å; W38-F61 HydrophobicContact CH2-CZ 4.37Å; W38-F61 HydrophobicContact CZ2-CE2 4.25Å; W38-F61 HydrophobicContact CZ2-CZ 4.15Å; W38-F61 HydrophobicContact CZ3-CZ 4.32Å; W38-F61 AromaticContact NE1-CE2 3.54Å; L59-F61 HydrophobicContact CB-CE2 4.28Å; L59-F61 HydrophobicContact CD2-CE1 3.96Å; L59-F61 HydrophobicContact CD2-CE2 3.89Å; L59-F61 HydrophobicContact CD2-CZ 3.3Å; L59-F61 HydrophobicContact CG-CE1 4.3Å; L59-F61 HydrophobicContact CG-CE2 3.89Å; L59-F61 HydrophobicContact CG-CZ 3.73Å; F61-Y65 HydrophobicContact CD1-CD1 4.46Å; F61-Y65 AromaticContact CD1-CD2 3.63Å; F61-Y65 HydrophobicContact CD1-CD2 3.63Å; F61-Y65 AromaticContact CD1-CE2 3.69Å; F61-Y65 HydrophobicContact CD1-CE2 3.69Å; F61-Y65 HydrophobicContact CD1-CG 4.04Å; F61-Y65 HydrophobicContact CE1-CD2 4.32Å; F61-Y65 AromaticContact CE1-CE2 3.9Å; F61-Y65 HydrophobicContact CE1-CE2 3.9Å; F61-P70 HydrophobicContact CD1-CB 3.68Å; F61-P70 HydrophobicContact CD1-CG 4.18Å; F61-P70 HydrophobicContact CE1-CB 4.02Å; F61-P70 HydrophobicContact CE1-CG 4.16Å; F61-P70 HydrophobicContact CG-CB 4.17Å; F61-V117 HydrophobicContact CE1-CG2 3.54Å; F61-V117 HydrophobicContact CZ-CG2 3.47Å; F61-V117 VanDerWaalsContact CZ-CG2 3.47Å
62P97Very high96.9Very high34 Ų3430.2 Ų30.222%0.22116%0.164CC..  trans-76.4156.9173.733.8-37000111.2N64 Y65 S68 P69P62-N64 WeakPolarHBondContact CB-OD1 3.31Å; P62-N64 WeakPolarHBondContact CG-OD1 3.26Å; P62-N64 PolarHBondContact O-N 3.2Å; P62-Y65 VanDerWaalsContact O-CB 3.31Å; P62-Y65 WeakPolarHBondContact O-CB 3.33Å; P62-Y65 PolarHBondContact O-N 3.06Å; P62-S68 VanDerWaalsContact CG-O 3.3Å; P62-S68 WeakPolarHBondContact CG-O 3.34Å; P62-P69 WeakPolarHBondContact CD-O 3.4Å; P62-P69 WeakPolarHBondContact CG-O 3.34Å
63M96.4Very high97.2Very high107 Ų10733.7 Ų33.753%0.52717%0.17SC..THydrogen-bonded Turntrans-63.6-16.6-177.9-68.6-66.6157.300114.2V3 F36V3-M63 HydrophobicContact CG1-SD 4.06Å; V3-M63 HydrophobicContact CG2-CB 4.28Å; V3-M63 HydrophobicContact CG2-SD 4.45Å; F36-M63 HydrophobicContact CD1-CE 4.45Å; F36-M63 HydrophobicContact CD1-SD 4.33Å; F36-M63 HydrophobicContact CD2-CE 4.1Å; F36-M63 HydrophobicContact CD2-SD 4.28Å; F36-M63 HydrophobicContact CE1-SD 4.01Å; F36-M63 HydrophobicContact CE2-CE 4.33Å; F36-M63 HydrophobicContact CE2-SD 3.93Å; F36-M63 HydrophobicContact CG-CE 4.16Å; F36-M63 HydrophobicContact CG-SD 4.47Å; F36-M63 HydrophobicContact CZ-SD 3.81Å
64N95.4Very high97.3Very high57 Ų5734 Ų3431%0.30517%0.171SC..THydrogen-bonded Turntrans-103.712.9177.369.3-23.6000113.3P62 F67 S68P62-N64 WeakPolarHBondContact CB-OD1 3.31Å; P62-N64 WeakPolarHBondContact CG-OD1 3.26Å; P62-N64 PolarHBondContact O-N 3.2Å; N64-F67 WeakPolarHBondContact O-CB 3.45Å; N64-F67 WeakPolarHBondContact O-CD2 3.28Å; N64-F67 PolarHBondContact O-N 2.91Å; N64-S68 PolarHBondContact ND2-OG 2.92Å; N64-S68 WeakPolarHBondContact OD1-CB 3.42Å; N64-S68 PolarHBondContact OD1-OG 3.31Å
65Y96.9Very high97.3Very high0 Ų037.4 Ų37.40%019%0.189CC..THydrogen-bonded Turntrans-49.7134.1175.1-179.3-95.5000111.8A6 L9 L10 E13 F61 P62 W111A6-Y65 WeakPolarHBondContact CA-O 3.35Å; A6-Y65 VanDerWaalsContact CB-O 3.29Å; A6-Y65 WeakPolarHBondContact CB-O 3.47Å; L9-Y65 HydrophobicContact CD2-CD1 3.88Å; L9-Y65 HydrophobicContact CD2-CE1 3.53Å; L9-Y65 HydrophobicContact CG-CD1 4.39Å; L9-Y65 HydrophobicContact CG-CE1 3.9Å; L10-Y65 HydrophobicContact CD1-CD1 4.41Å; L10-Y65 HydrophobicContact CD2-CD1 3.54Å; L10-Y65 HydrophobicContact CD2-CE1 3.51Å; L10-Y65 HydrophobicContact CD2-CG 4.17Å; L10-Y65 HydrophobicContact CG-CD1 3.79Å; L10-Y65 HydrophobicContact CG-CE1 4.1Å; E13-Y65 PolarHBondContact OE1-OH 3.18Å; E13-Y65 VanDerWaalsContact OE1-OH 3.12Å; E13-Y65 PolarHBondContact OE2-OH 3.47Å; F61-Y65 HydrophobicContact CD1-CD1 4.46Å; F61-Y65 AromaticContact CD1-CD2 3.63Å; F61-Y65 HydrophobicContact CD1-CD2 3.63Å; F61-Y65 AromaticContact CD1-CE2 3.69Å; F61-Y65 HydrophobicContact CD1-CE2 3.69Å; F61-Y65 HydrophobicContact CD1-CG 4.04Å; F61-Y65 HydrophobicContact CE1-CD2 4.32Å; F61-Y65 AromaticContact CE1-CE2 3.9Å; F61-Y65 HydrophobicContact CE1-CE2 3.9Å; P62-Y65 VanDerWaalsContact O-CB 3.31Å; P62-Y65 WeakPolarHBondContact O-CB 3.33Å; P62-Y65 PolarHBondContact O-N 3.06Å; Y65-W111 HydrophobicContact CD2-CH2 4.43Å; Y65-W111 HydrophobicContact CD2-CZ2 4.04Å; Y65-W111 AromaticContact CE2-CH2 3.57Å; Y65-W111 HydrophobicContact CE2-CH2 3.57Å; Y65-W111 AromaticContact CE2-CZ2 3.56Å; Y65-W111 HydrophobicContact CE2-CZ2 3.56Å
66P95.5Very high97.3Very high9 Ų937.9 Ų37.96%0.05819%0.192CC..THydrogen-bonded Turncis-97.51910.940.4-34.3000114M1 L9 S68 W111 P113M1-P66 VanDerWaalsContact CE-CD 3.45Å; M1-P66 HydrophobicContact CE-CG 4.48Å; L9-P66 HydrophobicContact CD2-CB 3.82Å; L9-P66 VanDerWaalsContact CD2-CD 3.5Å; L9-P66 HydrophobicContact CD2-CG 3.45Å; L9-P66 VanDerWaalsContact CD2-CG 3.45Å; P66-S68 VanDerWaalsContact C-N 3.3Å; P66-S68 PolarHBondContact O-N 3.09Å; P66-W111 HydrophobicContact CB-CZ2 4.13Å; P66-W111 PolarHBondContact O-NE1 3.31Å; P66-P113 HydrophobicContact CG-CB 4.21Å
67F94.2Very high97.2Very high103 Ų10347 Ų4745%0.45223%0.225SC..SBendtrans-74.1-22-179.2-67.6-67.6000113.9M1 N64 P113M1-F67 HydrophobicContact CB-CD2 3.73Å; M1-F67 HydrophobicContact CB-CE2 3.55Å; M1-F67 HydrophobicContact CE-CD2 3.67Å; M1-F67 HydrophobicContact CE-CE2 3.08Å; M1-F67 HydrophobicContact CE-CZ 3.74Å; M1-F67 HydrophobicContact CG-CD2 4.08Å; M1-F67 HydrophobicContact CG-CE2 3.61Å; M1-F67 HydrophobicContact SD-CD2 3.72Å; M1-F67 HydrophobicContact SD-CE2 3.56Å; M1-F67 VanDerWaalsContact SD-CE2 3.56Å; N64-F67 WeakPolarHBondContact O-CB 3.45Å; N64-F67 WeakPolarHBondContact O-CD2 3.28Å; N64-F67 PolarHBondContact O-N 2.91Å; F67-P113 HydrophobicContact CD1-CG 3.86Å; F67-P113 HydrophobicContact CE1-CG 4.26Å
68S95.1Very high97.2Very high40 Ų4047.9 Ų47.928%0.2823%0.23SC..SBendtrans-123.6147.1170.2-62.80000109.4P62 N64 P66 W111P62-S68 VanDerWaalsContact CG-O 3.3Å; P62-S68 WeakPolarHBondContact CG-O 3.34Å; N64-S68 PolarHBondContact ND2-OG 2.92Å; N64-S68 WeakPolarHBondContact OD1-CB 3.42Å; N64-S68 PolarHBondContact OD1-OG 3.31Å; P66-S68 VanDerWaalsContact C-N 3.3Å; P66-S68 PolarHBondContact O-N 3.09Å; S68-W111 VanDerWaalsContact C-NE1 3.3Å
69P96.8Very high97.1Very high21 Ų2149.7 Ų49.714%0.13624%0.236CC..PPolyproline II helixtrans-65.5150.4-179.124.2-31000111.4P62 L94 W111P62-P69 WeakPolarHBondContact CD-O 3.4Å; P62-P69 WeakPolarHBondContact CG-O 3.34Å; P69-L94 WeakPolarHBondContact CB-O 3.47Å; P69-L94 WeakPolarHBondContact CG-O 3.38Å; P69-W111 VanDerWaalsContact CA-CD2 3.47Å; P69-W111 VanDerWaalsContact CA-CE2 3.47Å; P69-W111 HydrophobicContact CB-CB 3.84Å; P69-W111 HydrophobicContact CB-CD2 3.54Å; P69-W111 HydrophobicContact CB-CE3 3.93Å; P69-W111 HydrophobicContact CB-CG 3.5Å; P69-W111 HydrophobicContact CG-CB 4.06Å; P69-W111 HydrophobicContact CG-CD2 4.5Å; P69-W111 HydrophobicContact CG-CG 3.98Å
70P98.1Very high97.1Very high1 Ų149.7 Ų49.71%0.00624%0.236CC..PPolyproline II helixtrans-68.5164.8160.232.5-32.7000110.8L59 Q60 F61 L94 W111 I120L59-P70 HydrophobicContact CD1-CB 3.87Å; L59-P70 HydrophobicContact CD1-CG 3.92Å; L59-P70 HydrophobicContact CG-CB 4.09Å; L59-P70 HydrophobicContact CG-CG 4.38Å; Q60-P70 CarbonylContact O-C 3.51Å; Q60-P70 WeakPolarHBondContact O-CA 3.25Å; Q60-P70 VanDerWaalsContact O-CB 3.23Å; Q60-P70 WeakPolarHBondContact O-CB 3.45Å; F61-P70 HydrophobicContact CD1-CB 3.68Å; F61-P70 HydrophobicContact CD1-CG 4.18Å; F61-P70 HydrophobicContact CE1-CB 4.02Å; F61-P70 HydrophobicContact CE1-CG 4.16Å; F61-P70 HydrophobicContact CG-CB 4.17Å; P70-L94 HydrophobicContact CG-CD2 4.09Å; P70-W111 HydrophobicContact CG-CH2 4.47Å; P70-I120 HydrophobicContact CG-CD1 3.41Å; P70-I120 VanDerWaalsContact CG-CD1 3.41Å
71T98.1Very high97.1Very high66 Ų6644.4 Ų44.441%0.40521%0.211SC..EExtended strand (participates in β ladder)trans-101.7141.9165.459.10000109.5L59 Q60L59-T71 WeakPolarHBondContact CA-O 3.42Å; Q60-T71 PolarHBondContact N-O 3.17Å; Q60-T71 PolarHBondContact O-N 3.46Å
72M98.4Very high97.1Very high4 Ų444.2 Ų44.22%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-117.3127.6173.5-171.9170.2177.700110A57 I58 L59 F74 V89 L94 I120 V124A57-M72 HydrophobicContact CB-CE 3.48Å; A57-M72 VanDerWaalsContact CB-CE 3.48Å; A57-M72 HydrophobicContact CB-CG 4.28Å; I58-M72 WeakPolarHBondContact O-CA 3.44Å; L59-M72 HydrophobicContact CD1-CB 3.85Å; L59-M72 HydrophobicContact CD1-CG 4.28Å; M72-F74 HydrophobicContact CE-CZ 4.25Å; M72-V89 HydrophobicContact CB-CB 4.46Å; M72-V89 HydrophobicContact CB-CG2 4.25Å; M72-V89 HydrophobicContact CG-CG2 4.1Å; M72-V89 PolarHBondContact O-N 3.02Å; M72-L94 HydrophobicContact CB-CD1 3.74Å; M72-I120 HydrophobicContact SD-CG2 4.47Å; M72-V124 HydrophobicContact CE-CG1 4.02Å; M72-V124 HydrophobicContact CE-CG2 4.46Å; M72-V124 HydrophobicContact SD-CB 4.44Å; M72-V124 HydrophobicContact SD-CG1 4.26Å; M72-V124 HydrophobicContact SD-CG2 3.66Å
73R98.5Very high97.2Very high99 Ų9942.7 Ų42.737%0.37420%0.2SC..EExtended strand (participates in β ladder)trans-133.6122.4179.5-178.2174.557.373.22110.9A57 I58 I75 S86 G87A57-R73 CarbonylContact C-O 3.52Å; A57-R73 VanDerWaalsContact CA-O 3.25Å; A57-R73 WeakPolarHBondContact CA-O 3.38Å; I58-R73 PolarHBondContact N-O 2.82Å; I58-R73 PolarHBondContact O-N 3.48Å; R73-I75 PolarHBondContact O-N 3.05Å; R73-S86 VanDerWaalsContact CD-O 3.3Å; R73-S86 WeakPolarHBondContact CD-O 3.29Å; R73-S86 WeakPolarHBondContact CG-O 3.25Å; R73-G87 CarbonylContact C-O 3.36Å; R73-G87 WeakPolarHBondContact CA-O 3.43Å
74F98.4Very high97.2Very high7 Ų742.2 Ų42.23%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-66.6130.4171.3-76.5-83.2000110.9L55 K56 A57 M72 T76 L78 I83 G87 V89 V124 L128L55-F74 HydrophobicContact CB-CD1 4.42Å; L55-F74 HydrophobicContact CB-CE1 4.14Å; K56-F74 CarbonylContact O-C 3.57Å; K56-F74 WeakPolarHBondContact O-CA 3.33Å; A57-F74 HydrophobicContact CB-CD1 3.86Å; A57-F74 HydrophobicContact CB-CE1 4.13Å; A57-F74 HydrophobicContact CB-CG 4.21Å; M72-F74 HydrophobicContact CE-CZ 4.25Å; F74-T76 WeakPolarHBondContact CB-O 3.23Å; F74-L78 HydrophobicContact CB-CD1 4.33Å; F74-L78 HydrophobicContact CD1-CD1 3.55Å; F74-L78 HydrophobicContact CD1-CG 4.36Å; F74-L78 HydrophobicContact CD2-CD1 3.82Å; F74-L78 HydrophobicContact CE1-CD1 3.68Å; F74-L78 HydrophobicContact CE2-CD1 3.92Å; F74-L78 HydrophobicContact CG-CD1 3.63Å; F74-L78 HydrophobicContact CG-CG 4.3Å; F74-L78 HydrophobicContact CZ-CD1 3.85Å; F74-I83 HydrophobicContact CD2-CD1 3.62Å; F74-I83 HydrophobicContact CD2-CG1 4.38Å; F74-I83 HydrophobicContact CD2-CG2 4.46Å; F74-I83 HydrophobicContact CE2-CD1 3.59Å; F74-I83 HydrophobicContact CE2-CG1 4.45Å; F74-G87 PolarHBondContact N-O 2.85Å; F74-V89 HydrophobicContact CD2-CG2 3.6Å; F74-V89 HydrophobicContact CE2-CG2 3.5Å; F74-V124 HydrophobicContact CE2-CG1 4.44Å; F74-V124 HydrophobicContact CZ-CG1 4.1Å; F74-L128 HydrophobicContact CZ-CD1 4.25Å
75I97.6Very high97.3Very high76 Ų7647.2 Ų47.239%0.3922%0.215SC..SBendtrans-78.8-41.7166.4-59.8161.6000108.7K56 I58 R73 R77K56-I75 HydrophobicContact CB-CB 4.28Å; K56-I75 HydrophobicContact CB-CD1 4.18Å; K56-I75 PolarHBondContact O-N 3.41Å; I58-I75 HydrophobicContact CD1-CD1 3.82Å; I58-I75 HydrophobicContact CD1-CG1 3.86Å; I58-I75 HydrophobicContact CG1-CD1 3.6Å; I58-I75 HydrophobicContact CG1-CG1 3.82Å; R73-I75 PolarHBondContact O-N 3.05Å; I75-R77 PolarHBondContact O-N 3.14Å
76T97Very high97.3Very high11 Ų1150.8 Ų50.87%0.06724%0.24CC..SBendtrans-65.3126.8171.9-560000108.8L55 K56 F74 L78 I163 T167L55-T76 HydrophobicContact CD2-CG2 4.14Å; K56-T76 PolarHBondContact N-OG1 3.02Å; K56-T76 PolarHBondContact O-N 3.27Å; F74-T76 WeakPolarHBondContact CB-O 3.23Å; T76-L78 HydrophobicContact CG2-CD2 4.03Å; T76-L78 PolarHBondContact O-N 3.16Å; T76-I163 HydrophobicContact CG2-CG2 4.42Å; T76-T167 HydrophobicContact CG2-CG2 3.71Å
77R96.5Very high97.4Very high212 Ų21250.7 Ų50.780%0.824%0.241SC*.  trans-70.4116.2177.6-66.1-171.1-178.9-165.6-0.2109.8I75 I163I75-R77 PolarHBondContact O-N 3.14Å; R77-I163 WeakPolarHBondContact O-CG2 3.45Å
78L97Very high97.6Very high21 Ų2150 Ų5011%0.1124%0.238CC..  trans-110.7137.7-179.7-62.7-175000110.9L55 F74 T76 I83 L128 I163L55-L78 HydrophobicContact CD1-CD1 4.07Å; L55-L78 HydrophobicContact CD1-CD2 4.06Å; L55-L78 HydrophobicContact CD2-CD2 4.05Å; F74-L78 HydrophobicContact CB-CD1 4.33Å; F74-L78 HydrophobicContact CD1-CD1 3.55Å; F74-L78 HydrophobicContact CD1-CG 4.36Å; F74-L78 HydrophobicContact CD2-CD1 3.82Å; F74-L78 HydrophobicContact CE1-CD1 3.68Å; F74-L78 HydrophobicContact CE2-CD1 3.92Å; F74-L78 HydrophobicContact CG-CD1 3.63Å; F74-L78 HydrophobicContact CG-CG 4.3Å; F74-L78 HydrophobicContact CZ-CD1 3.85Å; T76-L78 HydrophobicContact CG2-CD2 4.03Å; T76-L78 PolarHBondContact O-N 3.16Å; L78-I83 HydrophobicContact CB-CD1 3.86Å; L78-I83 HydrophobicContact CD1-CD1 3.53Å; L78-I83 HydrophobicContact CG-CD1 4.29Å; L78-L128 HydrophobicContact CD1-CD2 4.32Å; L78-I163 HydrophobicContact CD2-CG2 3.9Å
79W97.7Very high97.7Very high57 Ų5748.5 Ų48.522%0.21623%0.228CC..  trans-96.4100.2167.6-174.2-103.9000108.1N138 E140 A141 V159 I163W79-N138 WeakPolarHBondContact CZ3-ND2 3.46Å; W79-E140 HydrophobicContact CH2-CB 3.79Å; W79-E140 HydrophobicContact CZ2-CB 3.77Å; W79-A141 HydrophobicContact CD2-CB 4.12Å; W79-A141 HydrophobicContact CG-CB 4.3Å; W79-A141 HydrophobicContact CZ2-CB 4.13Å; W79-V159 HydrophobicContact CB-CG1 3.72Å; W79-V159 HydrophobicContact CG-CG1 3.78Å; W79-I163 HydrophobicContact CB-CD1 3.73Å
80H98.2Very high97.7Very high0 Ų048.3 Ų48.30%023%0.227CC..  trans-150.5140.3-170.5-172.4-93.2000111.8Y50 N82 I83 L127 P131 N138 Y156Y50-H80 PolarHBondContact OH-CD2 3.3Å; H80-N82 PolarHBondContact ND1-N 2.9Å; H80-N82 PolarHBondContact O-N 2.99Å; H80-N82 VanDerWaalsContact O-N 3.12Å; H80-I83 HydrophobicContact CB-CB 4.01Å; H80-I83 HydrophobicContact CB-CD1 3.71Å; H80-I83 HydrophobicContact CB-CG1 3.85Å; H80-I83 PolarHBondContact O-N 2.71Å; H80-L127 PolarHBondContact CE1-O 2.92Å; H80-L127 VanDerWaalsContact CE1-O 3.31Å; H80-L127 PolarHBondContact NE2-O 3.14Å; H80-P131 WeakPolarHBondContact NE2-CG 3.28Å; H80-N138 WeakPolarHBondContact O-CB 3.3Å; H80-Y156 PolarHBondContact CD2-OH 2.89Å
81P98.3Very high97.5Very high0 Ų049.2 Ų49.20%023%0.231CC..THydrogen-bonded Turntrans-54.8-32.8-178.1-28.936.6000114.8P131 P136 A137 N138 A141 Y145 Y156P81-P131 HydrophobicContact CB-CB 3.79Å; P81-P131 HydrophobicContact CG-CB 3.58Å; P81-P131 HydrophobicContact CG-CG 4.04Å; P81-P136 HydrophobicContact CB-CB 4.38Å; P81-P136 CarbonylContact O-C 3.57Å; P81-P136 WeakPolarHBondContact O-CA 3.28Å; P81-P136 WeakPolarHBondContact O-CB 3.49Å; P81-A137 PolarHBondContact O-N 3.08Å; P81-N138 PolarHBondContact O-N 3.27Å; P81-A141 HydrophobicContact CG-CB 4.45Å; P81-Y145 HydrophobicContact CG-CG 4.29Å; P81-Y156 WeakPolarHBondContact CD-OH 3.37Å
82N98.2Very high97.3Very high3 Ų347.5 Ų47.52%0.01622%0.222CC..THydrogen-bonded Turntrans-110.119.6-176.1-52.7102.3000114.5H80 C90 L127 P131 N132H80-N82 PolarHBondContact ND1-N 2.9Å; H80-N82 PolarHBondContact O-N 2.99Å; H80-N82 VanDerWaalsContact O-N 3.12Å; N82-C90 PolarHBondContact O-N 3.11Å; N82-L127 HydrophobicContact CB-CD1 3.95Å; N82-L127 HydrophobicContact CB-CD2 3.76Å; N82-L127 HydrophobicContact CB-CG 4.05Å; N82-P131 VanDerWaalsContact OD1-CA 3.31Å; N82-P131 WeakPolarHBondContact OD1-CA 3.36Å; N82-P131 WeakPolarHBondContact OD1-CB 3.36Å; N82-N132 PolarHBondContact ND2-O 2.8Å; N82-N132 PolarHBondContact OD1-N 3.43Å; N82-N132 PolarHBondContact OD1-O 3.2Å
83I98.3Very high97.1Very high2 Ų247.6 Ų47.61%0.0122%0.223CC..BIsolated β-bridgetrans-121.7125.6174.7-58.5176000108.2F74 L78 H80 L128F74-I83 HydrophobicContact CD2-CD1 3.62Å; F74-I83 HydrophobicContact CD2-CG1 4.38Å; F74-I83 HydrophobicContact CD2-CG2 4.46Å; F74-I83 HydrophobicContact CE2-CD1 3.59Å; F74-I83 HydrophobicContact CE2-CG1 4.45Å; L78-I83 HydrophobicContact CB-CD1 3.86Å; L78-I83 HydrophobicContact CD1-CD1 3.53Å; L78-I83 HydrophobicContact CG-CD1 4.29Å; H80-I83 HydrophobicContact CB-CB 4.01Å; H80-I83 HydrophobicContact CB-CD1 3.71Å; H80-I83 HydrophobicContact CB-CG1 3.85Å; H80-I83 PolarHBondContact O-N 2.71Å; I83-L128 HydrophobicContact CD1-CD2 4.12Å
84Y97.9Very high96.9Very high98 Ų9843.7 Ų43.738%0.38421%0.209SC..  trans-69.3161.3175.6-68-75.1000111.2S86 G87 E88 C90 A137Y84-S86 WeakPolarHBondContact CB-OG 3.44Å; Y84-S86 PolarHBondContact O-N 3.32Å; Y84-S86 VanDerWaalsContact O-N 3.09Å; Y84-G87 WeakPolarHBondContact O-CA 3.39Å; Y84-G87 PolarHBondContact O-N 3.31Å; Y84-E88 HydrophobicContact CD2-CB 4.1Å; Y84-E88 HydrophobicContact CD2-CG 4.48Å; Y84-E88 WeakPolarHBondContact CD2-O 3.15Å; Y84-E88 PolarHBondContact N-O 3.24Å; Y84-C90 HydrophobicContact CD2-CB 4.41Å; Y84-C90 HydrophobicContact CE2-CB 3.73Å; Y84-A137 HydrophobicContact CD1-CB 3.71Å; Y84-A137 HydrophobicContact CD2-CB 4.07Å; Y84-A137 HydrophobicContact CE1-CB 3.58Å; Y84-A137 HydrophobicContact CE2-CB 3.97Å; Y84-A137 HydrophobicContact CG-CB 3.95Å
85E96.5Very high96.6Very high161 Ų16146.7 Ų46.775%0.75222%0.223SC*.THydrogen-bonded Turntrans-56.4-26.8173.3-16968.3-154.700112.6G87E85-G87 PolarHBondContact O-N 3.45Å
86S97Very high96.2Very high76 Ų7645.5 Ų45.553%0.53122%0.224SC..THydrogen-bonded Turntrans-69.1-12.6173.5620000113.9R73 Y84 E88R73-S86 VanDerWaalsContact CD-O 3.3Å; R73-S86 WeakPolarHBondContact CD-O 3.29Å; R73-S86 WeakPolarHBondContact CG-O 3.25Å; Y84-S86 WeakPolarHBondContact CB-OG 3.44Å; Y84-S86 PolarHBondContact O-N 3.32Å; Y84-S86 VanDerWaalsContact O-N 3.09Å; S86-E88 VanDerWaalsContact C-N 3.34Å; S86-E88 WeakPolarHBondContact OG-CB 3.37Å; S86-E88 PolarHBondContact OG-N 2.85Å
87G97.8Very high95.3Very high7 Ų748.9 Ų48.97%0.07225%0.247CC..  trans87.2-5.4-170.700000114.1R73 F74 Y84 E85R73-G87 CarbonylContact C-O 3.36Å; R73-G87 WeakPolarHBondContact CA-O 3.43Å; F74-G87 PolarHBondContact N-O 2.85Å; Y84-G87 WeakPolarHBondContact O-CA 3.39Å; Y84-G87 PolarHBondContact O-N 3.31Å; E85-G87 PolarHBondContact O-N 3.45Å
88E98.1Very high94.3Very high87 Ų8743 Ų4341%0.40724%0.235SC..BIsolated β-bridgetrans-66.2134.6-179.9-173.5169.486.900110.9Y84 S86Y84-E88 HydrophobicContact CD2-CB 4.1Å; Y84-E88 HydrophobicContact CD2-CG 4.48Å; Y84-E88 WeakPolarHBondContact CD2-O 3.15Å; Y84-E88 PolarHBondContact N-O 3.24Å; S86-E88 VanDerWaalsContact C-N 3.34Å; S86-E88 WeakPolarHBondContact OG-CB 3.37Å; S86-E88 PolarHBondContact OG-N 2.85Å
89V97.8Very high92.7Very high9 Ų951.2 Ų51.26%0.05527%0.272CS..BIsolated β-bridgetrans-86.5125.4-178.7-175.90000109.7M72 F74 I91 L127M72-V89 HydrophobicContact CB-CB 4.46Å; M72-V89 HydrophobicContact CB-CG2 4.25Å; M72-V89 HydrophobicContact CG-CG2 4.1Å; M72-V89 PolarHBondContact O-N 3.02Å; F74-V89 HydrophobicContact CD2-CG2 3.6Å; F74-V89 HydrophobicContact CE2-CG2 3.5Å; V89-I91 HydrophobicContact CG1-CB 4.32Å; V89-I91 HydrophobicContact CG1-CG2 3.93Å; V89-L127 HydrophobicContact CG1-CD2 3.8Å
90C96Very high91.2Very high17 Ų1751.9 Ų51.912%0.11528%0.28CS..  trans-96.8100.7173.7-171.20000109.5N82 Y84 A137N82-C90 PolarHBondContact O-N 3.11Å; Y84-C90 HydrophobicContact CD2-CB 4.41Å; Y84-C90 HydrophobicContact CE2-CB 3.73Å; C90-A137 HydrophobicContact CB-CB 3.83Å
91I94.5Very high89.7Confident20 Ų2058.4 Ų58.410%0.10332%0.32CS..  trans-147.1137177.2-169.4174.5000109.5V89 I93 L94 L127V89-I91 HydrophobicContact CG1-CB 4.32Å; V89-I91 HydrophobicContact CG1-CG2 3.93Å; I91-I93 HydrophobicContact CD1-CG2 4.08Å; I91-I93 HydrophobicContact CG1-CG2 4.09Å; I91-I93 HydrophobicContact CG2-CG2 3.84Å; I91-I93 PolarHBondContact O-N 3.47Å; I91-I93 VanDerWaalsContact O-N 3.14Å; I91-L94 HydrophobicContact CG2-CB 4.14Å; I91-L94 HydrophobicContact CG2-CD1 3.78Å; I91-L94 HydrophobicContact CG2-CG 3.74Å; I91-L94 PolarHBondContact O-N 3.32Å; I91-L127 HydrophobicContact CB-CD2 4.04Å; I91-L127 HydrophobicContact CD1-CB 4.17Å; I91-L127 HydrophobicContact CD1-CD2 4.16Å; I91-L127 HydrophobicContact CG1-CD2 4.38Å
92S92.9Very high88.3Confident30 Ų3066.9 Ų66.921%0.2136%0.359CS..G310 helixtrans-52.3-38.5-173.549.10000113.5L94 H95 E109 R110S92-L94 PolarHBondContact O-N 3.14Å; S92-L94 VanDerWaalsContact O-N 3.11Å; S92-H95 WeakPolarHBondContact O-CB 3.35Å; S92-H95 PolarHBondContact O-N 3.42Å; S92-E109 CarbonylContact C-O 3.54Å; S92-E109 WeakPolarHBondContact CB-O 3.37Å; S92-E109 PolarHBondContact OG-O 2.69Å; S92-E109 VanDerWaalsContact OG-O 3.09Å; S92-R110 WeakPolarHBondContact O-CA 3.43Å
93I94.1Very high87Confident7 Ų768.7 Ų68.74%0.03637%0.372CS..G310 helixtrans-60.5-24.7178.8-168.4172.7000112.7I91 E109 W111 Q115 I120I91-I93 HydrophobicContact CD1-CG2 4.08Å; I91-I93 HydrophobicContact CG1-CG2 4.09Å; I91-I93 HydrophobicContact CG2-CG2 3.84Å; I91-I93 PolarHBondContact O-N 3.47Å; I91-I93 VanDerWaalsContact O-N 3.14Å; I93-E109 VanDerWaalsContact CA-O 3.23Å; I93-E109 WeakPolarHBondContact CA-O 3.3Å; I93-E109 PolarHBondContact N-O 3.45Å; I93-W111 HydrophobicContact CG1-CE3 4.46Å; I93-W111 WeakPolarHBondContact O-CA 3.43Å; I93-W111 VanDerWaalsContact O-CB 3.26Å; I93-W111 WeakPolarHBondContact O-CB 3.41Å; I93-W111 VanDerWaalsContact O-CE3 3.23Å; I93-W111 PolarHBondContact O-N 3.13Å; I93-Q115 HydrophobicContact CD1-CB 4.45Å; I93-Q115 VanDerWaalsContact CD1-CD 3.48Å; I93-Q115 HydrophobicContact CD1-CG 4.11Å; I93-Q115 VanDerWaalsContact CD1-OE1 3.31Å; I93-Q115 HydrophobicContact CG1-CG 3.98Å; I93-I120 HydrophobicContact CD1-CG1 4.39Å
94L96Very high85.7Confident17 Ų1772.2 Ų72.29%0.08941%0.409CS..G310 helixtrans-94.9-0176.7-62.1-178.9000113.2P69 P70 M72 I91 S92 I120P69-L94 WeakPolarHBondContact CB-O 3.47Å; P69-L94 WeakPolarHBondContact CG-O 3.38Å; P70-L94 HydrophobicContact CG-CD2 4.09Å; M72-L94 HydrophobicContact CB-CD1 3.74Å; I91-L94 HydrophobicContact CG2-CB 4.14Å; I91-L94 HydrophobicContact CG2-CD1 3.78Å; I91-L94 HydrophobicContact CG2-CG 3.74Å; I91-L94 PolarHBondContact O-N 3.32Å; S92-L94 PolarHBondContact O-N 3.14Å; S92-L94 VanDerWaalsContact O-N 3.11Å; L94-I120 HydrophobicContact CD2-CD1 3.9Å; L94-I120 HydrophobicContact CD2-CG1 3.86Å; L94-I120 HydrophobicContact CD2-CG2 3.97Å
95H92.3Very high84.5Confident69 Ų6970.6 Ų70.632%0.31941%0.405SS..SBendtrans-84.6142.8175.4-62.8167.7000110.8S92 W111S92-H95 WeakPolarHBondContact O-CB 3.35Å; S92-H95 PolarHBondContact O-N 3.42Å; H95-W111 WeakPolarHBondContact O-CB 3.34Å; H95-W111 PolarHBondContact O-N 2.88Å
96A88.3Confident83.6Confident51 Ų5167.5 Ų67.542%0.42139%0.393SS..  trans-56.4150.4178.700000111.5V98A96-V98 VanDerWaalsContact C-N 3.29Å; A96-V98 HydrophobicContact CB-CG2 4.48Å; A96-V98 PolarHBondContact O-N 3.48Å
97P78.6Confident82.4Confident83 Ų8368.1 Ų68.154%0.53940%0.403SS..  trans-67.391.5173.227.8-33000108.9
98V75.8Confident81.4Confident89 Ų8971.1 Ų71.154%0.53942%0.422SS..  trans-112.6124.9167.3-178.60000105.9A96 D100 R110A96-V98 VanDerWaalsContact C-N 3.29Å; A96-V98 HydrophobicContact CB-CG2 4.48Å; A96-V98 PolarHBondContact O-N 3.48Å; V98-D100 PolarHBondContact O-N 3.43Å; V98-R110 PolarHBondContact O-NH1 2.9Å
99E62.9Low80.6Confident193 Ų19371 Ų7190%0.90242%0.422SS*.  trans-70.482166.3-69.5179.3-172.700107.5
100D66Low80.3Confident70 Ų7072.2 Ų72.237%0.37443%0.425SS..  trans-93.793.1168.1-173.71.8000107.7V98 Q102 S103V98-D100 PolarHBondContact O-N 3.43Å; D100-Q102 PolarHBondContact O-N 2.88Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.27Å; D100-Q102 PolarHBondContact OD1-N 2.73Å; D100-S103 PolarHBondContact O-N 2.77Å; D100-S103 VanDerWaalsContact O-N 3.09Å; D100-S103 PolarHBondContact O-OG 3.08Å; D100-S103 VanDerWaalsContact O-OG 3.08Å
101T65.6Low80.2Confident138 Ų13871.5 Ų71.585%0.84742%0.42SS*.THydrogen-bonded Turntrans-59.3-14.8176.753.70000113
102Q68.9Low80.1Confident177 Ų17772.7 Ų72.783%0.82743%0.427SS*.THydrogen-bonded Turntrans-96-10.6179.8-57.4-174.1-6.400113.3D100 G104D100-Q102 PolarHBondContact O-N 2.88Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.27Å; D100-Q102 PolarHBondContact OD1-N 2.73Å; Q102-G104 VanDerWaalsContact C-N 3.3Å; Q102-G104 PolarHBondContact O-N 3.36Å
103S71.1Confident80.2Confident41 Ų4174.6 Ų74.629%0.28744%0.438SS..SBendtrans-73.3-24-176.270.20000113.2D100 E105 R110D100-S103 PolarHBondContact O-N 2.77Å; D100-S103 VanDerWaalsContact O-N 3.09Å; D100-S103 PolarHBondContact O-OG 3.08Å; D100-S103 VanDerWaalsContact O-OG 3.08Å; S103-E105 PolarHBondContact O-N 2.71Å; S103-E105 PolarHBondContact OG-N 2.77Å; S103-R110 PolarHBondContact OG-NH2 3.09Å
104G71.1Confident80.2Confident76 Ų7678.1 Ų78.178%0.78447%0.468SS*.  trans704.9-172.600000114.3Q102Q102-G104 VanDerWaalsContact C-N 3.3Å; Q102-G104 PolarHBondContact O-N 3.36Å
105E74.1Confident80.1Confident65 Ų6578.6 Ų78.630%0.30447%0.47SS..  trans-85.6137.3177.9-63.5177.3150.400110.4S103 E109 R110S103-E105 PolarHBondContact O-N 2.71Å; S103-E105 PolarHBondContact OG-N 2.77Å; E105-E109 VanDerWaalsContact CA-OE2 3.32Å; E105-E109 WeakPolarHBondContact CA-OE2 3.48Å; E105-R110 IonicContact OE2-CZ 3.17Å; E105-R110 IonicContact OE2-NE 3.27Å; E105-R110 PolarHBondContact OE2-NE 3.22Å; E105-R110 IonicContact OE2-NH2 2.71Å; E105-R110 PolarHBondContact OE2-NH2 3.12Å
106L76.1Confident80.3Confident96 Ų9677.4 Ų77.450%0.50347%0.468SS..  trans-68.9147.3174.4-61.2172.5000110.1C108 E109 R110L106-C108 VanDerWaalsContact CB-SG 3.59Å; L106-C108 PolarHBondContact O-N 2.9Å; L106-C108 VanDerWaalsContact O-N 3.11Å; L106-E109 HydrophobicContact CB-CG 3.99Å; L106-E109 PolarHBondContact N-OE2 2.91Å; L106-E109 WeakPolarHBondContact O-CB 3.35Å; L106-E109 PolarHBondContact O-N 3.47Å; L106-R110 PolarHBondContact O-N 3.11Å
107A72.1Confident80.7Confident88 Ų8875 Ų7573%0.72745%0.448SS*.THydrogen-bonded Turntrans-58.5-28.5177.400000113E109 R110A107-E109 VanDerWaalsContact C-N 3.33Å; A107-R110 PolarHBondContact O-N 3.09Å
108C76.8Confident81.5Confident71 Ų7174.4 Ų74.448%0.4844%0.435SS..THydrogen-bonded Turntrans-74.1-21.5175.6610000113.6L106 R110 Q115L106-C108 VanDerWaalsContact CB-SG 3.59Å; L106-C108 PolarHBondContact O-N 2.9Å; L106-C108 VanDerWaalsContact O-N 3.11Å; C108-R110 VanDerWaalsContact C-N 3.35Å; C108-Q115 PolarHBondContact O-NE2 3.01Å; C108-Q115 VanDerWaalsContact O-NE2 3.13Å
109E82Confident82.5Confident85 Ų8572.2 Ų72.240%0.39742%0.421SS..THydrogen-bonded Turntrans-78.5-22.4175.1-65.4172.7152.400111.7S92 I93 E105 L106 A107S92-E109 CarbonylContact C-O 3.54Å; S92-E109 WeakPolarHBondContact CB-O 3.37Å; S92-E109 PolarHBondContact OG-O 2.69Å; S92-E109 VanDerWaalsContact OG-O 3.09Å; I93-E109 VanDerWaalsContact CA-O 3.23Å; I93-E109 WeakPolarHBondContact CA-O 3.3Å; I93-E109 PolarHBondContact N-O 3.45Å; E105-E109 VanDerWaalsContact CA-OE2 3.32Å; E105-E109 WeakPolarHBondContact CA-OE2 3.48Å; L106-E109 HydrophobicContact CB-CG 3.99Å; L106-E109 PolarHBondContact N-OE2 2.91Å; L106-E109 WeakPolarHBondContact O-CB 3.35Å; L106-E109 PolarHBondContact O-N 3.47Å; A107-E109 VanDerWaalsContact C-N 3.33Å
110R90.2Very high84.1Confident34 Ų3463 Ų6313%0.12838%0.378CS..SBendtrans-88.2166174.7-68.8-166.5170-165-6112.7S92 V98 S103 E105 L106 A107 C108 N112S92-R110 WeakPolarHBondContact O-CA 3.43Å; V98-R110 PolarHBondContact O-NH1 2.9Å; S103-R110 PolarHBondContact OG-NH2 3.09Å; E105-R110 IonicContact OE2-CZ 3.17Å; E105-R110 IonicContact OE2-NE 3.27Å; E105-R110 PolarHBondContact OE2-NE 3.22Å; E105-R110 IonicContact OE2-NH2 2.71Å; E105-R110 PolarHBondContact OE2-NH2 3.12Å; L106-R110 PolarHBondContact O-N 3.11Å; A107-R110 PolarHBondContact O-N 3.09Å; C108-R110 VanDerWaalsContact C-N 3.35Å; R110-N112 PolarHBondContact O-N 2.92Å; R110-N112 PolarHBondContact O-ND2 3.11Å
111W95.1Very high85.5Confident2 Ų259.7 Ų59.71%0.00836%0.361CS..  trans-59.3130.6174.6-174.6-100.3000111Y65 P66 S68 P69 P70 I93 H95 Q115 I120Y65-W111 HydrophobicContact CD2-CH2 4.43Å; Y65-W111 HydrophobicContact CD2-CZ2 4.04Å; Y65-W111 AromaticContact CE2-CH2 3.57Å; Y65-W111 HydrophobicContact CE2-CH2 3.57Å; Y65-W111 AromaticContact CE2-CZ2 3.56Å; Y65-W111 HydrophobicContact CE2-CZ2 3.56Å; P66-W111 HydrophobicContact CB-CZ2 4.13Å; P66-W111 PolarHBondContact O-NE1 3.31Å; S68-W111 VanDerWaalsContact C-NE1 3.3Å; P69-W111 VanDerWaalsContact CA-CD2 3.47Å; P69-W111 VanDerWaalsContact CA-CE2 3.47Å; P69-W111 HydrophobicContact CB-CB 3.84Å; P69-W111 HydrophobicContact CB-CD2 3.54Å; P69-W111 HydrophobicContact CB-CE3 3.93Å; P69-W111 HydrophobicContact CB-CG 3.5Å; P69-W111 HydrophobicContact CG-CB 4.06Å; P69-W111 HydrophobicContact CG-CD2 4.5Å; P69-W111 HydrophobicContact CG-CG 3.98Å; P70-W111 HydrophobicContact CG-CH2 4.47Å; I93-W111 HydrophobicContact CG1-CE3 4.46Å; I93-W111 WeakPolarHBondContact O-CA 3.43Å; I93-W111 VanDerWaalsContact O-CB 3.26Å; I93-W111 WeakPolarHBondContact O-CB 3.41Å; I93-W111 VanDerWaalsContact O-CE3 3.23Å; I93-W111 PolarHBondContact O-N 3.13Å; H95-W111 WeakPolarHBondContact O-CB 3.34Å; H95-W111 PolarHBondContact O-N 2.88Å; W111-Q115 HydrophobicContact CD2-CB 4.33Å; W111-Q115 HydrophobicContact CE3-CB 3.69Å; W111-Q115 HydrophobicContact CE3-CG 4.15Å; W111-Q115 HydrophobicContact CH2-CB 3.9Å; W111-Q115 HydrophobicContact CZ3-CB 3.45Å; W111-Q115 VanDerWaalsContact CZ3-CB 3.45Å; W111-Q115 HydrophobicContact CZ3-CG 4.37Å; W111-I120 HydrophobicContact CH2-CD1 4.06Å; W111-I120 HydrophobicContact CZ3-CD1 3.56Å; W111-I120 HydrophobicContact CZ3-CG1 3.96Å
112N92.9Very high86.9Confident45 Ų4557.3 Ų57.324%0.24134%0.343CS..  trans-142.6159167.965.173.1000109.1R110 A114 Q115R110-N112 PolarHBondContact O-N 2.92Å; R110-N112 PolarHBondContact O-ND2 3.11Å; N112-A114 PolarHBondContact O-N 3.37Å; N112-A114 WeakPolarHBondContact OD1-CA 3.2Å; N112-A114 VanDerWaalsContact OD1-CB 3.25Å; N112-A114 WeakPolarHBondContact OD1-CB 3.36Å; N112-A114 PolarHBondContact OD1-N 2.79Å; N112-Q115 WeakPolarHBondContact O-CB 3.48Å; N112-Q115 WeakPolarHBondContact O-CG 3.07Å; N112-Q115 PolarHBondContact O-N 2.95Å
113P93.9Very high88.1Confident69 Ų6950.7 Ų50.745%0.44832%0.316SS..THydrogen-bonded Turntrans-62.5-6.2-176.4-26.236.4000116.5P66 F67P66-P113 HydrophobicContact CG-CB 4.21Å; F67-P113 HydrophobicContact CD1-CG 3.86Å; F67-P113 HydrophobicContact CE1-CG 4.26Å
114A93.5Very high89.3Confident81 Ų8148.9 Ų48.967%0.66930%0.303SS*.THydrogen-bonded Turntrans-87.6-14172.500000112.8N112N112-A114 PolarHBondContact O-N 3.37Å; N112-A114 WeakPolarHBondContact OD1-CA 3.2Å; N112-A114 VanDerWaalsContact OD1-CB 3.25Å; N112-A114 WeakPolarHBondContact OD1-CB 3.36Å; N112-A114 PolarHBondContact OD1-N 2.79Å
115Q95.1Very high90.3Very high27 Ų2746.8 Ų46.813%0.12627%0.273CS..  trans-66.9146.6172.7-60.2-65.41.900110.9I93 C108 W111 N112 T119I93-Q115 HydrophobicContact CD1-CB 4.45Å; I93-Q115 VanDerWaalsContact CD1-CD 3.48Å; I93-Q115 HydrophobicContact CD1-CG 4.11Å; I93-Q115 VanDerWaalsContact CD1-OE1 3.31Å; I93-Q115 HydrophobicContact CG1-CG 3.98Å; C108-Q115 PolarHBondContact O-NE2 3.01Å; C108-Q115 VanDerWaalsContact O-NE2 3.13Å; W111-Q115 HydrophobicContact CD2-CB 4.33Å; W111-Q115 HydrophobicContact CE3-CB 3.69Å; W111-Q115 HydrophobicContact CE3-CG 4.15Å; W111-Q115 HydrophobicContact CH2-CB 3.9Å; W111-Q115 HydrophobicContact CZ3-CB 3.45Å; W111-Q115 VanDerWaalsContact CZ3-CB 3.45Å; W111-Q115 HydrophobicContact CZ3-CG 4.37Å; N112-Q115 WeakPolarHBondContact O-CB 3.48Å; N112-Q115 WeakPolarHBondContact O-CG 3.07Å; N112-Q115 PolarHBondContact O-N 2.95Å; Q115-T119 PolarHBondContact OE1-OG1 3.48Å
116T95.9Very high91.1Very high44 Ų4446.8 Ų46.827%0.2728%0.281SS..  trans-127.1167.7-177.5620000109.8R118 T119 I120T116-R118 PolarHBondContact O-N 3.4Å; T116-R118 PolarHBondContact OG1-N 3.04Å; T116-T119 PolarHBondContact N-OG1 3.37Å; T116-T119 PolarHBondContact O-N 2.96Å; T116-T119 VanDerWaalsContact O-N 3.15Å; T116-T119 PolarHBondContact O-OG1 3.33Å; T116-T119 PolarHBondContact OG1-N 3.48Å; T116-I120 WeakPolarHBondContact O-CG1 3.26Å; T116-I120 PolarHBondContact O-N 3.19Å; T116-I120 VanDerWaalsContact O-N 3.08Å
117V97.3Very high92Very high0 Ų043 Ų430%026%0.261CS..Hα-helixtrans-58-36.6170.6178.60000110.8E13 L17 W38 L59 F61 T119 I120 L121E13-V117 WeakPolarHBondContact OE2-CB 3.41Å; E13-V117 VanDerWaalsContact OE2-CG2 3.27Å; E13-V117 WeakPolarHBondContact OE2-CG2 3.48Å; E13-V117 PolarHBondContact OE2-N 3.28Å; L17-V117 HydrophobicContact CD1-CB 3.96Å; L17-V117 HydrophobicContact CD1-CG1 3.64Å; W38-V117 HydrophobicContact CE3-CG1 4.22Å; W38-V117 HydrophobicContact CE3-CG2 4.44Å; W38-V117 HydrophobicContact CH2-CG2 4.06Å; W38-V117 HydrophobicContact CZ3-CB 4.14Å; W38-V117 HydrophobicContact CZ3-CG1 3.84Å; W38-V117 HydrophobicContact CZ3-CG2 3.81Å; L59-V117 HydrophobicContact CD2-CB 4.48Å; L59-V117 HydrophobicContact CD2-CG1 3.75Å; L59-V117 HydrophobicContact CD2-CG2 4Å; F61-V117 HydrophobicContact CE1-CG2 3.54Å; F61-V117 HydrophobicContact CZ-CG2 3.47Å; F61-V117 VanDerWaalsContact CZ-CG2 3.47Å; V117-T119 PolarHBondContact O-N 3.43Å; V117-I120 PolarHBondContact O-N 3.11Å; V117-L121 HydrophobicContact CG1-CD1 4.12Å; V117-L121 HydrophobicContact CG1-CG 4.16Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.25Å; V117-L121 PolarHBondContact O-N 3.12Å
118R96.1Very high93Very high72 Ų7239.2 Ų39.227%0.27223%0.228SC..Hα-helixtrans-59.1-45.3175.7-179.6172.3-62.1-84.13.7111.7E20 M22 T116 L121 L122E20-R118 PolarHBondContact O-NH2 3.19Å; M22-R118 HydrophobicContact CE-CB 4.16Å; M22-R118 HydrophobicContact CE-CG 3.64Å; M22-R118 WeakPolarHBondContact CE-O 3.42Å; T116-R118 PolarHBondContact O-N 3.4Å; T116-R118 PolarHBondContact OG1-N 3.04Å; R118-L121 PolarHBondContact O-N 2.77Å; R118-L122 HydrophobicContact CG-CD1 4.25Å; R118-L122 WeakPolarHBondContact O-CG 3.36Å; R118-L122 PolarHBondContact O-N 2.93Å; R118-L122 VanDerWaalsContact O-N 3.11Å
119T95.4Very high93.6Very high42 Ų4238.9 Ų38.926%0.25822%0.222SC..Hα-helixtrans-67.6-38.3178.657.80000111.7Q115 T116 V117 L121 L122 S123Q115-T119 PolarHBondContact OE1-OG1 3.48Å; T116-T119 PolarHBondContact N-OG1 3.37Å; T116-T119 PolarHBondContact O-N 2.96Å; T116-T119 VanDerWaalsContact O-N 3.15Å; T116-T119 PolarHBondContact O-OG1 3.33Å; T116-T119 PolarHBondContact OG1-N 3.48Å; V117-T119 PolarHBondContact O-N 3.43Å; T119-L121 PolarHBondContact O-N 3.08Å; T119-L122 PolarHBondContact O-N 3.14Å; T119-S123 PolarHBondContact O-N 3.32Å; T119-S123 PolarHBondContact O-OG 2.64Å
120I96.9Very high94.1Very high0 Ų041.8 Ų41.80%024%0.235CC..Hα-helixtrans-57.2-50.9173.3-66.4161.1000111.4P70 M72 I93 L94 W111 T116 V117 L122 S123 V124P70-I120 HydrophobicContact CG-CD1 3.41Å; P70-I120 VanDerWaalsContact CG-CD1 3.41Å; M72-I120 HydrophobicContact SD-CG2 4.47Å; I93-I120 HydrophobicContact CD1-CG1 4.39Å; L94-I120 HydrophobicContact CD2-CD1 3.9Å; L94-I120 HydrophobicContact CD2-CG1 3.86Å; L94-I120 HydrophobicContact CD2-CG2 3.97Å; W111-I120 HydrophobicContact CH2-CD1 4.06Å; W111-I120 HydrophobicContact CZ3-CD1 3.56Å; W111-I120 HydrophobicContact CZ3-CG1 3.96Å; T116-I120 WeakPolarHBondContact O-CG1 3.26Å; T116-I120 PolarHBondContact O-N 3.19Å; T116-I120 VanDerWaalsContact O-N 3.08Å; V117-I120 PolarHBondContact O-N 3.11Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.06Å; I120-S123 PolarHBondContact O-N 3.23Å; I120-V124 HydrophobicContact CG2-CG2 4.31Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.33Å; I120-V124 PolarHBondContact O-N 3.37Å
121L96.5Very high94.3Very high0 Ų040.8 Ų40.80%023%0.233CC..Hα-helixtrans-63.1-40.8-177.1-65-177.7000111.7L17 M22 F25 V27 V40 V117 R118 T119 V124 I125L17-L121 HydrophobicContact CD2-CD1 4.48Å; M22-L121 HydrophobicContact CE-CB 3.62Å; M22-L121 HydrophobicContact CE-CD1 4.02Å; M22-L121 HydrophobicContact CE-CG 4.4Å; M22-L121 HydrophobicContact SD-CB 3.92Å; F25-L121 HydrophobicContact CB-CD1 4.47Å; F25-L121 HydrophobicContact CD1-CB 4.27Å; F25-L121 HydrophobicContact CD1-CD1 4.04Å; F25-L121 HydrophobicContact CD1-CD2 3.96Å; F25-L121 HydrophobicContact CD1-CG 4.3Å; F25-L121 HydrophobicContact CE1-CB 3.87Å; F25-L121 HydrophobicContact CE1-CD1 4.42Å; F25-L121 HydrophobicContact CE1-CD2 3.72Å; F25-L121 HydrophobicContact CE1-CG 4.19Å; F25-L121 HydrophobicContact CE2-CB 4.15Å; F25-L121 HydrophobicContact CG-CD1 4.2Å; F25-L121 HydrophobicContact CZ-CB 3.8Å; F25-L121 HydrophobicContact CZ-CD2 4.48Å; F25-L121 VanDerWaalsContact CZ-O 3.25Å; F25-L121 WeakPolarHBondContact CZ-O 3.35Å; V27-L121 HydrophobicContact CG2-CD1 3.98Å; V40-L121 HydrophobicContact CG1-CD2 3.77Å; V40-L121 HydrophobicContact CG2-CD2 4.32Å; V117-L121 HydrophobicContact CG1-CD1 4.12Å; V117-L121 HydrophobicContact CG1-CG 4.16Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.25Å; V117-L121 PolarHBondContact O-N 3.12Å; R118-L121 PolarHBondContact O-N 2.77Å; T119-L121 PolarHBondContact O-N 3.08Å; L121-V124 PolarHBondContact O-N 3.25Å; L121-I125 PolarHBondContact O-N 3.18Å
122L93.7Very high94.2Very high89 Ų8944.1 Ų44.147%0.46625%0.251SS..Hα-helixtrans-61.6-42.4173.6-71.5172.2000112.3M22 R118 T119 I120 V124 I125 S126M22-L122 HydrophobicContact CE-CG 4.17Å; M22-L122 HydrophobicContact SD-CD2 3.69Å; M22-L122 HydrophobicContact SD-CG 3.89Å; R118-L122 HydrophobicContact CG-CD1 4.25Å; R118-L122 WeakPolarHBondContact O-CG 3.36Å; R118-L122 PolarHBondContact O-N 2.93Å; R118-L122 VanDerWaalsContact O-N 3.11Å; T119-L122 PolarHBondContact O-N 3.14Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.06Å; L122-V124 VanDerWaalsContact C-N 3.33Å; L122-V124 PolarHBondContact O-N 3.16Å; L122-I125 WeakPolarHBondContact O-CG2 3.34Å; L122-S126 PolarHBondContact O-N 3.06Å
123S94.7Very high94.3Very high38 Ų3844 Ų4427%0.26625%0.252SS..Hα-helixtrans-65.9-36.6176.5-58.70000112.1T119 I120 S126 L127T119-S123 PolarHBondContact O-N 3.32Å; T119-S123 PolarHBondContact O-OG 2.64Å; I120-S123 PolarHBondContact O-N 3.23Å; S123-S126 PolarHBondContact O-N 2.81Å; S123-L127 WeakPolarHBondContact O-CB 3.45Å; S123-L127 PolarHBondContact O-N 2.81Å
124V95.3Very high94.2Very high2 Ų246.3 Ų46.31%0.01227%0.27CS..Hα-helixtrans-70.1-41.8179.51710000112.1M72 F74 I120 L121 L122 S126 L127 L128M72-V124 HydrophobicContact CE-CG1 4.02Å; M72-V124 HydrophobicContact CE-CG2 4.46Å; M72-V124 HydrophobicContact SD-CB 4.44Å; M72-V124 HydrophobicContact SD-CG1 4.26Å; M72-V124 HydrophobicContact SD-CG2 3.66Å; F74-V124 HydrophobicContact CE2-CG1 4.44Å; F74-V124 HydrophobicContact CZ-CG1 4.1Å; I120-V124 HydrophobicContact CG2-CG2 4.31Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.33Å; I120-V124 PolarHBondContact O-N 3.37Å; L121-V124 PolarHBondContact O-N 3.25Å; L122-V124 VanDerWaalsContact C-N 3.33Å; L122-V124 PolarHBondContact O-N 3.16Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 2.77Å; V124-L127 PolarHBondContact O-N 3.25Å; V124-L128 HydrophobicContact CG1-CD1 4.43Å; V124-L128 WeakPolarHBondContact O-CG 3.32Å; V124-L128 PolarHBondContact O-N 2.98Å
125I92.1Very high94Very high32 Ų3246.3 Ų46.316%0.16427%0.265CS..Hα-helixtrans-65.5-36.4175.6-170167.8000111.6F25 L42 P45 L121 L122 N129 Y185F25-I125 HydrophobicContact CE2-CB 4.17Å; F25-I125 HydrophobicContact CE2-CD1 4.24Å; F25-I125 HydrophobicContact CE2-CG2 4.31Å; F25-I125 HydrophobicContact CZ-CB 4.01Å; F25-I125 HydrophobicContact CZ-CG2 4.44Å; L42-I125 HydrophobicContact CD1-CB 4.38Å; L42-I125 HydrophobicContact CD1-CD1 4.42Å; L42-I125 HydrophobicContact CD1-CG1 4.45Å; P45-I125 HydrophobicContact CG-CD1 4.26Å; L121-I125 PolarHBondContact O-N 3.18Å; L122-I125 WeakPolarHBondContact O-CG2 3.34Å; I125-N129 PolarHBondContact O-N 2.81Å; I125-N129 PolarHBondContact O-ND2 2.93Å; I125-Y185 WeakPolarHBondContact CD1-OH 3.46Å
126S92.2Very high94.1Very high66 Ų6646.8 Ų46.846%0.46227%0.271SS..Hα-helixtrans-62.8-48.5172.4173.30000111L122 S123 V124 L128 N129 E130L122-S126 PolarHBondContact O-N 3.06Å; S123-S126 PolarHBondContact O-N 2.81Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 2.77Å; S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 2.97Å; S126-N129 PolarHBondContact O-N 3.03Å; S126-E130 PolarHBondContact O-N 2.95Å
127L94.1Very high94.1Very high16 Ų1645.8 Ų45.88%0.08427%0.267CS..Hα-helixtrans-58.6-36.7179.2-172.973.3000113.3H80 N82 V89 I91 S123 V124 N129 E130 P131H80-L127 PolarHBondContact CE1-O 2.92Å; H80-L127 VanDerWaalsContact CE1-O 3.31Å; H80-L127 PolarHBondContact NE2-O 3.14Å; N82-L127 HydrophobicContact CB-CD1 3.95Å; N82-L127 HydrophobicContact CB-CD2 3.76Å; N82-L127 HydrophobicContact CB-CG 4.05Å; V89-L127 HydrophobicContact CG1-CD2 3.8Å; I91-L127 HydrophobicContact CB-CD2 4.04Å; I91-L127 HydrophobicContact CD1-CB 4.17Å; I91-L127 HydrophobicContact CD1-CD2 4.16Å; I91-L127 HydrophobicContact CG1-CD2 4.38Å; S123-L127 WeakPolarHBondContact O-CB 3.45Å; S123-L127 PolarHBondContact O-N 2.81Å; V124-L127 PolarHBondContact O-N 3.25Å; L127-N129 VanDerWaalsContact C-N 3.32Å; L127-E130 CarbonylContact O-C 3.52Å; L127-P131 WeakPolarHBondContact O-CA 3.41Å
128L93.4Very high94.1Very high8 Ų846.8 Ų46.84%0.04227%0.272CS..Hα-helixtrans-67.4-32.2177.5-73.6174000112.8L42 Y50 L55 F74 L78 I83 V124 S126L42-L128 HydrophobicContact CD2-CD1 3.38Å; Y50-L128 HydrophobicContact CE2-CB 4.38Å; Y50-L128 VanDerWaalsContact CE2-O 3.31Å; Y50-L128 WeakPolarHBondContact CE2-O 3.31Å; L55-L128 HydrophobicContact CD1-CD1 4.5Å; F74-L128 HydrophobicContact CZ-CD1 4.25Å; L78-L128 HydrophobicContact CD1-CD2 4.32Å; I83-L128 HydrophobicContact CD1-CD2 4.12Å; V124-L128 HydrophobicContact CG1-CD1 4.43Å; V124-L128 WeakPolarHBondContact O-CG 3.32Å; V124-L128 PolarHBondContact O-N 2.98Å; S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 2.97Å
129N88.9Confident94.2Very high64 Ų6447.9 Ų47.934%0.34229%0.287SS..Hα-helixtrans-85.1-37.4178.1-71.5-68.6000111.9I125 S126 L127I125-N129 PolarHBondContact O-N 2.81Å; I125-N129 PolarHBondContact O-ND2 2.93Å; S126-N129 PolarHBondContact O-N 3.03Å; L127-N129 VanDerWaalsContact C-N 3.32Å
130E92.6Very high94.3Very high146 Ų14652.5 Ų52.568%0.68231%0.305SS*.SBendtrans-128.182-177.4-65.4-178.6-176.700110.2S126 L127S126-E130 PolarHBondContact O-N 2.95Å; L127-E130 CarbonylContact O-C 3.52Å
131P95Very high94.4Very high13 Ų1352.5 Ų52.58%0.08431%0.305CS..  trans-65.7140.9-179.9-15.729.7000112.1H80 P81 N82 L127 T133 Y145H80-P131 WeakPolarHBondContact NE2-CG 3.28Å; P81-P131 HydrophobicContact CB-CB 3.79Å; P81-P131 HydrophobicContact CG-CB 3.58Å; P81-P131 HydrophobicContact CG-CG 4.04Å; N82-P131 VanDerWaalsContact OD1-CA 3.31Å; N82-P131 WeakPolarHBondContact OD1-CA 3.36Å; N82-P131 WeakPolarHBondContact OD1-CB 3.36Å; L127-P131 WeakPolarHBondContact O-CA 3.41Å; P131-T133 PolarHBondContact O-N 3.41Å; P131-Y145 HydrophobicContact CB-CE1 4.46Å; P131-Y145 VanDerWaalsContact CD-OH 3.24Å; P131-Y145 WeakPolarHBondContact CD-OH 3.47Å; P131-Y145 HydrophobicContact CG-CD1 4.23Å; P131-Y145 HydrophobicContact CG-CD2 4.11Å; P131-Y145 HydrophobicContact CG-CE1 3.99Å; P131-Y145 HydrophobicContact CG-CE2 3.85Å; P131-Y145 HydrophobicContact CG-CG 4.28Å
132N93.2Very high94.5Very high73 Ų7352.6 Ų52.639%0.3931%0.306SS..  trans-75.2106.3168.5177.5-7.3000109.9N82 S134 S135N82-N132 PolarHBondContact ND2-O 2.8Å; N82-N132 PolarHBondContact OD1-N 3.43Å; N82-N132 PolarHBondContact OD1-O 3.2Å; N132-S134 WeakPolarHBondContact OD1-CB 3.41Å; N132-S134 PolarHBondContact OD1-N 2.94Å; N132-S135 PolarHBondContact OD1-N 2.95Å
133T94.4Very high94.7Very high43 Ų4351.4 Ų51.426%0.26430%0.302SS..  trans-89.7-9.4178.958.30000114.3P131 P136 S142 Y145 R146P131-T133 PolarHBondContact O-N 3.41Å; T133-P136 WeakPolarHBondContact O-CD 3.39Å; T133-S142 WeakPolarHBondContact CB-OG 3.38Å; T133-Y145 HydrophobicContact CG2-CD1 3.64Å; T133-Y145 HydrophobicContact CG2-CE1 4.13Å; T133-R146 HydrophobicContact CG2-CG 3.98Å
134S91.7Very high94.8Very high117 Ų11751.4 Ų51.482%0.81830%0.298SS*.SBendtrans-74.3-34179.2-57.20000112.2N132N132-S134 WeakPolarHBondContact OD1-CB 3.41Å; N132-S134 PolarHBondContact OD1-N 2.94Å
135S90.5Very high94.9Very high81 Ų8152.4 Ų52.457%0.56630%0.302SS*.SBendtrans-136.171.1175.8-1770000111.3N132N132-S135 PolarHBondContact OD1-N 2.95Å
136P95.4Very high95.2Very high37 Ų3756.5 Ų56.524%0.2432%0.316CS..  trans-77.6140.3-174.732.5-34.7000112.2P81 T133 N138 V139 S142P81-P136 HydrophobicContact CB-CB 4.38Å; P81-P136 CarbonylContact O-C 3.57Å; P81-P136 WeakPolarHBondContact O-CA 3.28Å; P81-P136 WeakPolarHBondContact O-CB 3.49Å; T133-P136 WeakPolarHBondContact O-CD 3.39Å; P136-N138 VanDerWaalsContact C-N 3.35Å; P136-V139 HydrophobicContact CG-CG2 4.32Å; P136-S142 VanDerWaalsContact CB-CB 3.49Å
137A96.7Very high95.5Very high23 Ų2358.5 Ų58.519%0.1931%0.313CS..SBendtrans-71.8-31.1166.900000112P81 Y84 C90P81-A137 PolarHBondContact O-N 3.08Å; Y84-A137 HydrophobicContact CD1-CB 3.71Å; Y84-A137 HydrophobicContact CD2-CB 4.07Å; Y84-A137 HydrophobicContact CE1-CB 3.58Å; Y84-A137 HydrophobicContact CE2-CB 3.97Å; Y84-A137 HydrophobicContact CG-CB 3.95Å; C90-A137 HydrophobicContact CB-CB 3.83Å
138N97.8Very high95.6Very high20 Ų2061.2 Ų61.211%0.10732%0.323CS..  trans-122101.3175-177.2-21.9000109.6W79 H80 P81 P136 E140 A141 S142W79-N138 WeakPolarHBondContact CZ3-ND2 3.46Å; H80-N138 WeakPolarHBondContact O-CB 3.3Å; P81-N138 PolarHBondContact O-N 3.27Å; P136-N138 VanDerWaalsContact C-N 3.35Å; N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact O-N 3.29Å; N138-E140 PolarHBondContact OD1-N 2.97Å; N138-E140 VanDerWaalsContact OD1-N 3.16Å; N138-A141 HydrophobicContact CB-CB 3.95Å; N138-A141 VanDerWaalsContact CG-CB 3.47Å; N138-A141 PolarHBondContact O-N 3.15Å; N138-A141 PolarHBondContact OD1-N 3.42Å; N138-S142 WeakPolarHBondContact O-CB 3.23Å; N138-S142 PolarHBondContact O-N 2.93Å
139V97.7Very high95.7Very high96 Ų9666.5 Ų66.558%0.58235%0.348SS*.Hα-helixtrans-63.6-39.5-177.1-179.90000111.6P136 S142 V143P136-V139 HydrophobicContact CG-CG2 4.32Å; V139-S142 WeakPolarHBondContact O-CB 3.12Å; V139-S142 PolarHBondContact O-N 3.38Å; V139-V143 WeakPolarHBondContact O-CG2 3.46Å; V139-V143 PolarHBondContact O-N 3.18Å
140E97.9Very high96.1Very high139 Ų13970.1 Ų70.165%0.6536%0.363SS*.Hα-helixtrans-66.8-45.4-179.3-64.3-176.8-177.600111.2W79 N138 S142 V143 M144W79-E140 HydrophobicContact CH2-CB 3.79Å; W79-E140 HydrophobicContact CZ2-CB 3.77Å; N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact O-N 3.29Å; N138-E140 PolarHBondContact OD1-N 2.97Å; N138-E140 VanDerWaalsContact OD1-N 3.16Å; E140-S142 VanDerWaalsContact C-N 3.29Å; E140-S142 PolarHBondContact O-N 3.05Å; E140-V143 PolarHBondContact O-N 3.42Å; E140-M144 WeakPolarHBondContact O-CB 3.3Å; E140-M144 PolarHBondContact O-N 2.78Å
141A98.2Very high96.3Very high0 Ų066.3 Ų66.30%036%0.363CS..Hα-helixtrans-61.2-38.6173.600000111.7W79 P81 N138 M144 Y145W79-A141 HydrophobicContact CD2-CB 4.12Å; W79-A141 HydrophobicContact CG-CB 4.3Å; W79-A141 HydrophobicContact CZ2-CB 4.13Å; P81-A141 HydrophobicContact CG-CB 4.45Å; N138-A141 HydrophobicContact CB-CB 3.95Å; N138-A141 VanDerWaalsContact CG-CB 3.47Å; N138-A141 PolarHBondContact O-N 3.15Å; N138-A141 PolarHBondContact OD1-N 3.42Å; A141-M144 PolarHBondContact O-N 2.86Å; A141-Y145 WeakPolarHBondContact O-CB 3.39Å; A141-Y145 PolarHBondContact O-N 2.94Å
142S98.1Very high96.4Very high1 Ų169.5 Ų69.51%0.00738%0.382CS..Hα-helixtrans-64.2-43176.3-173.60000113T133 P136 N138 V139 E140 Y145 R146T133-S142 WeakPolarHBondContact CB-OG 3.38Å; P136-S142 VanDerWaalsContact CB-CB 3.49Å; N138-S142 WeakPolarHBondContact O-CB 3.23Å; N138-S142 PolarHBondContact O-N 2.93Å; V139-S142 WeakPolarHBondContact O-CB 3.12Å; V139-S142 PolarHBondContact O-N 3.38Å; E140-S142 VanDerWaalsContact C-N 3.29Å; E140-S142 PolarHBondContact O-N 3.05Å; S142-Y145 PolarHBondContact O-N 3.34Å; S142-R146 WeakPolarHBondContact O-CG 3.35Å; S142-R146 PolarHBondContact O-N 3.24Å
143V97.9Very high96.6Very high64 Ų6467.6 Ų67.639%0.38837%0.372SS..Hα-helixtrans-62.4-45.3174.3172.10000110.9V139 E140 R146 R147V139-V143 WeakPolarHBondContact O-CG2 3.46Å; V139-V143 PolarHBondContact O-N 3.18Å; E140-V143 PolarHBondContact O-N 3.42Å; V143-R146 PolarHBondContact O-N 3.44Å; V143-R147 WeakPolarHBondContact O-CG 3.43Å; V143-R147 PolarHBondContact O-N 2.83Å
144M98Very high96.7Very high39 Ų3968.9 Ų68.919%0.19238%0.377CS..Hα-helixtrans-64.3-41.9179-165.2-173.8-82.300111.9E140 A141 R147 Y148 E155 Y156 V159E140-M144 WeakPolarHBondContact O-CB 3.3Å; E140-M144 PolarHBondContact O-N 2.78Å; A141-M144 PolarHBondContact O-N 2.86Å; M144-R147 PolarHBondContact O-N 3.44Å; M144-Y148 PolarHBondContact O-N 3.14Å; M144-Y148 VanDerWaalsContact O-N 3.08Å; M144-E155 HydrophobicContact CG-CB 4.21Å; M144-E155 HydrophobicContact SD-CB 4.23Å; M144-Y156 HydrophobicContact CB-CD2 4.25Å; M144-Y156 HydrophobicContact CG-CD2 4.28Å; M144-Y156 VanDerWaalsContact SD-CA 3.6Å; M144-Y156 HydrophobicContact SD-CD2 4.3Å; M144-V159 HydrophobicContact SD-CG2 4.19Å
145Y98Very high97Very high22 Ų2268.3 Ų68.39%0.08636%0.361CS..Hα-helixtrans-62.5-44.4176.1177.6-102000112.2P81 P131 T133 A141 S142 R147 Y148 M149 Y156P81-Y145 HydrophobicContact CG-CG 4.29Å; P131-Y145 HydrophobicContact CB-CE1 4.46Å; P131-Y145 VanDerWaalsContact CD-OH 3.24Å; P131-Y145 WeakPolarHBondContact CD-OH 3.47Å; P131-Y145 HydrophobicContact CG-CD1 4.23Å; P131-Y145 HydrophobicContact CG-CD2 4.11Å; P131-Y145 HydrophobicContact CG-CE1 3.99Å; P131-Y145 HydrophobicContact CG-CE2 3.85Å; P131-Y145 HydrophobicContact CG-CG 4.28Å; T133-Y145 HydrophobicContact CG2-CD1 3.64Å; T133-Y145 HydrophobicContact CG2-CE1 4.13Å; A141-Y145 WeakPolarHBondContact O-CB 3.39Å; A141-Y145 PolarHBondContact O-N 2.94Å; S142-Y145 PolarHBondContact O-N 3.34Å; Y145-R147 PolarHBondContact O-N 2.96Å; Y145-Y148 HydrophobicContact CD2-CD1 4.32Å; Y145-Y148 HydrophobicContact CE2-CD1 4.46Å; Y145-Y148 WeakPolarHBondContact O-CB 3.41Å; Y145-Y148 PolarHBondContact O-N 2.81Å; Y145-Y148 VanDerWaalsContact O-N 3.15Å; Y145-M149 HydrophobicContact CD1-CG 4.07Å; Y145-M149 HydrophobicContact CD2-CG 4.27Å; Y145-M149 HydrophobicContact CE1-CG 3.57Å; Y145-M149 HydrophobicContact CE1-SD 4.41Å; Y145-M149 HydrophobicContact CE2-CG 3.81Å; Y145-M149 HydrophobicContact CE2-SD 3.85Å; Y145-M149 HydrophobicContact CG-CG 4.41Å; Y145-M149 VanDerWaalsContact CZ-CG 3.42Å; Y145-M149 WeakPolarHBondContact O-CG 3.25Å; Y145-M149 PolarHBondContact O-N 2.98Å; Y145-M149 WeakPolarHBondContact OH-CE 3.27Å; Y145-Y156 AromaticContact CD2-CD1 3.8Å; Y145-Y156 HydrophobicContact CD2-CD1 3.8Å; Y145-Y156 AromaticContact CD2-CE1 3.54Å; Y145-Y156 HydrophobicContact CD2-CE1 3.54Å; Y145-Y156 HydrophobicContact CD2-CE2 4.41Å; Y145-Y156 HydrophobicContact CD2-CG 4.34Å; Y145-Y156 AromaticContact CD2-CZ 3.87Å; Y145-Y156 HydrophobicContact CE2-CE1 4.28Å; Y145-Y156 HydrophobicContact CG-CE1 4.48Å
146R97.5Very high97.3Very high119 Ų11964.5 Ų64.545%0.44934%0.335SS..Hα-helixtrans-60-45.7177.5-74.8-172.3-67.8170.4-1.6112.3T133 S142 V143 Y148 M149 E150T133-R146 HydrophobicContact CG2-CG 3.98Å; S142-R146 WeakPolarHBondContact O-CG 3.35Å; S142-R146 PolarHBondContact O-N 3.24Å; V143-R146 PolarHBondContact O-N 3.44Å; R146-Y148 VanDerWaalsContact C-N 3.27Å; R146-Y148 PolarHBondContact O-N 3.38Å; R146-M149 PolarHBondContact O-N 2.89Å; R146-E150 WeakPolarHBondContact O-CB 3.47Å; R146-E150 VanDerWaalsContact O-CG 3.29Å; R146-E150 WeakPolarHBondContact O-CG 3.46Å; R146-E150 PolarHBondContact O-N 3.26Å
147R97.9Very high97.4Very high107 Ų10762.9 Ų62.940%0.40432%0.324SS..Hα-helixtrans-59.1-38.9175.2-69.7173.761.5822.2112.4V143 M144 Y145 G151 V152 D153V143-R147 WeakPolarHBondContact O-CG 3.43Å; V143-R147 PolarHBondContact O-N 2.83Å; M144-R147 PolarHBondContact O-N 3.44Å; Y145-R147 PolarHBondContact O-N 2.96Å; R147-G151 PolarHBondContact O-N 3.06Å; R147-V152 HydrophobicContact CB-CB 4.23Å; R147-V152 VanDerWaalsContact NH2-CG1 3.29Å; R147-V152 WeakPolarHBondContact O-CB 3.47Å; R147-V152 PolarHBondContact O-N 3.32Å; R147-D153 IonicContact CZ-OD2 3.61Å; R147-D153 IonicContact NE-OD2 2.84Å; R147-D153 PolarHBondContact NE-OD2 2.91Å; R147-D153 IonicContact NH2-OD2 3.64Å; R147-D153 PolarHBondContact NH2-OD2 3.46Å
148Y97.6Very high97.5Very high74 Ų7467.2 Ų67.229%0.2934%0.339SS..Hα-helixtrans-63.9-47.3174.9167-116.3000112.4M144 Y145 R146 E150 G151 D153 Y156 A157M144-Y148 PolarHBondContact O-N 3.14Å; M144-Y148 VanDerWaalsContact O-N 3.08Å; Y145-Y148 HydrophobicContact CD2-CD1 4.32Å; Y145-Y148 HydrophobicContact CE2-CD1 4.46Å; Y145-Y148 WeakPolarHBondContact O-CB 3.41Å; Y145-Y148 PolarHBondContact O-N 2.81Å; Y145-Y148 VanDerWaalsContact O-N 3.15Å; R146-Y148 VanDerWaalsContact C-N 3.27Å; R146-Y148 PolarHBondContact O-N 3.38Å; Y148-E150 VanDerWaalsContact C-N 3.3Å; Y148-E150 PolarHBondContact O-N 3.21Å; Y148-G151 PolarHBondContact O-N 3.1Å; Y148-D153 WeakPolarHBondContact CA-O 3.28Å; Y148-Y156 HydrophobicContact CD1-CD1 4.03Å; Y148-A157 HydrophobicContact CD2-CB 4.27Å; Y148-A157 HydrophobicContact CE2-CB 3.85Å
149M95.6Very high97.5Very high118 Ų11868.7 Ų68.758%0.58135%0.349SS*.Hα-helixtrans-66.9-31.5178.4-64.6-60.5-82.800112.7Y145 R146 G151Y145-M149 HydrophobicContact CD1-CG 4.07Å; Y145-M149 HydrophobicContact CD2-CG 4.27Å; Y145-M149 HydrophobicContact CE1-CG 3.57Å; Y145-M149 HydrophobicContact CE1-SD 4.41Å; Y145-M149 HydrophobicContact CE2-CG 3.81Å; Y145-M149 HydrophobicContact CE2-SD 3.85Å; Y145-M149 HydrophobicContact CG-CG 4.41Å; Y145-M149 VanDerWaalsContact CZ-CG 3.42Å; Y145-M149 WeakPolarHBondContact O-CG 3.25Å; Y145-M149 PolarHBondContact O-N 2.98Å; Y145-M149 WeakPolarHBondContact OH-CE 3.27Å; R146-M149 PolarHBondContact O-N 2.89Å; M149-G151 PolarHBondContact O-N 3.09Å
150E96.7Very high97.4Very high141 Ų14164.2 Ų64.266%0.65932%0.322SS*.THydrogen-bonded Turntrans-76-5.3172.8-70.4169-175.100113.1R146 Y148 V152R146-E150 WeakPolarHBondContact O-CB 3.47Å; R146-E150 VanDerWaalsContact O-CG 3.29Å; R146-E150 WeakPolarHBondContact O-CG 3.46Å; R146-E150 PolarHBondContact O-N 3.26Å; Y148-E150 VanDerWaalsContact C-N 3.3Å; Y148-E150 PolarHBondContact O-N 3.21Å; E150-V152 VanDerWaalsContact C-N 3.29Å; E150-V152 HydrophobicContact CB-CG2 3.91Å; E150-V152 PolarHBondContact O-N 3.31Å
151G96.6Very high97.4Very high65 Ų6564.4 Ų64.467%0.6732%0.316SS*.THydrogen-bonded Turntrans72.118.8179.800000114.4R147 Y148 M149R147-G151 PolarHBondContact O-N 3.06Å; Y148-G151 PolarHBondContact O-N 3.1Å; M149-G151 PolarHBondContact O-N 3.09Å
152V97.5Very high97.3Very high80 Ų8072.8 Ų72.849%0.48535%0.348SS..SBendtrans-70.7-42.7-179.3-177.40000111.1R147 E150R147-V152 HydrophobicContact CB-CB 4.23Å; R147-V152 VanDerWaalsContact NH2-CG1 3.29Å; R147-V152 WeakPolarHBondContact O-CB 3.47Å; R147-V152 PolarHBondContact O-N 3.32Å; E150-V152 VanDerWaalsContact C-N 3.29Å; E150-V152 HydrophobicContact CB-CG2 3.91Å; E150-V152 PolarHBondContact O-N 3.31Å
153D97.2Very high97.3Very high33 Ų3374.1 Ų74.118%0.17636%0.355CS..  trans-157.1173.617662.270.6000110.6R147 Y148 E155R147-D153 IonicContact CZ-OD2 3.61Å; R147-D153 IonicContact NE-OD2 2.84Å; R147-D153 PolarHBondContact NE-OD2 2.91Å; R147-D153 IonicContact NH2-OD2 3.64Å; R147-D153 PolarHBondContact NH2-OD2 3.46Å; Y148-D153 WeakPolarHBondContact CA-O 3.28Å; D153-E155 HydrophobicContact CB-CG 4.39Å; D153-E155 WeakPolarHBondContact OD1-CB 3.39Å; D153-E155 WeakPolarHBondContact OD1-CG 3.39Å; D153-E155 PolarHBondContact OD1-N 2.8Å
154D96.9Very high97.2Very high70 Ų7071.7 Ų71.737%0.37434%0.34SS..  trans-112.221.7179.867.7-21.7000112.6Y156 A157 K158D154-Y156 VanDerWaalsContact C-N 3.35Å; D154-Y156 PolarHBondContact O-N 2.77Å; D154-A157 PolarHBondContact O-N 2.84Å; D154-K158 VanDerWaalsContact CG-CE 3.46Å; D154-K158 VanDerWaalsContact CG-NZ 3.34Å; D154-K158 WeakPolarHBondContact O-CG 3.49Å; D154-K158 PolarHBondContact O-N 3.2Å; D154-K158 WeakPolarHBondContact OD1-CE 3.5Å; D154-K158 IonicContact OD1-NZ 3.15Å; D154-K158 PolarHBondContact OD1-NZ 2.9Å; D154-K158 WeakPolarHBondContact OD2-CE 3.42Å; D154-K158 IonicContact OD2-NZ 3.86Å; D154-K158 PolarHBondContact OD2-NZ 2.89Å
155E97.6Very high97.1Very high105 Ų10576.6 Ų76.649%0.49136%0.362SS..Hα-helixtrans-61.8-42.3-174.6-68.9-172172.500111.9M144 D153 A157 K158 V159M144-E155 HydrophobicContact CG-CB 4.21Å; M144-E155 HydrophobicContact SD-CB 4.23Å; D153-E155 HydrophobicContact CB-CG 4.39Å; D153-E155 WeakPolarHBondContact OD1-CB 3.39Å; D153-E155 WeakPolarHBondContact OD1-CG 3.39Å; D153-E155 PolarHBondContact OD1-N 2.8Å; E155-A157 PolarHBondContact O-N 2.81Å; E155-K158 WeakPolarHBondContact O-CB 3.36Å; E155-K158 PolarHBondContact O-N 3.46Å; E155-V159 WeakPolarHBondContact O-CG2 3.4Å; E155-V159 PolarHBondContact O-N 2.93Å
156Y97.9Very high97Very high1 Ų181.4 Ų81.40%0.00439%0.387CS..Hα-helixtrans-56.3-51.7176.3-172.4-99.9000111.4I49 H80 P81 M144 Y145 Y148 D154 K158 V159 V160I49-Y156 HydrophobicContact CD1-CD1 3.97Å; I49-Y156 HydrophobicContact CD1-CE1 3.62Å; H80-Y156 PolarHBondContact CD2-OH 2.89Å; P81-Y156 WeakPolarHBondContact CD-OH 3.37Å; M144-Y156 HydrophobicContact CB-CD2 4.25Å; M144-Y156 HydrophobicContact CG-CD2 4.28Å; M144-Y156 VanDerWaalsContact SD-CA 3.6Å; M144-Y156 HydrophobicContact SD-CD2 4.3Å; Y145-Y156 AromaticContact CD2-CD1 3.8Å; Y145-Y156 HydrophobicContact CD2-CD1 3.8Å; Y145-Y156 AromaticContact CD2-CE1 3.54Å; Y145-Y156 HydrophobicContact CD2-CE1 3.54Å; Y145-Y156 HydrophobicContact CD2-CE2 4.41Å; Y145-Y156 HydrophobicContact CD2-CG 4.34Å; Y145-Y156 AromaticContact CD2-CZ 3.87Å; Y145-Y156 HydrophobicContact CE2-CE1 4.28Å; Y145-Y156 HydrophobicContact CG-CE1 4.48Å; Y148-Y156 HydrophobicContact CD1-CD1 4.03Å; D154-Y156 VanDerWaalsContact C-N 3.35Å; D154-Y156 PolarHBondContact O-N 2.77Å; Y156-K158 VanDerWaalsContact C-N 3.3Å; Y156-K158 PolarHBondContact O-N 2.71Å; Y156-V159 PolarHBondContact O-N 3.12Å; Y156-V160 HydrophobicContact CD1-CG2 4.16Å; Y156-V160 HydrophobicContact CE1-CG2 3.78Å; Y156-V160 WeakPolarHBondContact O-CG2 3.29Å; Y156-V160 PolarHBondContact O-N 3.24Å
157A96.8Very high97Very high3 Ų375.8 Ų75.83%0.02537%0.366CS..Hα-helixtrans-62.2-37.3179.800000112I49 Y148 D154 E155 R161I49-A157 HydrophobicContact CG2-CB 3.95Å; Y148-A157 HydrophobicContact CD2-CB 4.27Å; Y148-A157 HydrophobicContact CE2-CB 3.85Å; D154-A157 PolarHBondContact O-N 2.84Å; E155-A157 PolarHBondContact O-N 2.81Å; A157-R161 WeakPolarHBondContact O-CB 3.43Å; A157-R161 WeakPolarHBondContact O-CG 3.37Å; A157-R161 PolarHBondContact O-N 2.81Å
158K97.7Very high96.9Very high115 Ų11573.4 Ų73.450%0.537%0.369SS..Hα-helixtrans-64.1-42.1175.2-77.1167.7170.5155.40112.5D154 E155 Y156 R162D154-K158 VanDerWaalsContact CG-CE 3.46Å; D154-K158 VanDerWaalsContact CG-NZ 3.34Å; D154-K158 WeakPolarHBondContact O-CG 3.49Å; D154-K158 PolarHBondContact O-N 3.2Å; D154-K158 WeakPolarHBondContact OD1-CE 3.5Å; D154-K158 IonicContact OD1-NZ 3.15Å; D154-K158 PolarHBondContact OD1-NZ 2.9Å; D154-K158 WeakPolarHBondContact OD2-CE 3.42Å; D154-K158 IonicContact OD2-NZ 3.86Å; D154-K158 PolarHBondContact OD2-NZ 2.89Å; E155-K158 WeakPolarHBondContact O-CB 3.36Å; E155-K158 PolarHBondContact O-N 3.46Å; Y156-K158 VanDerWaalsContact C-N 3.3Å; Y156-K158 PolarHBondContact O-N 2.71Å; K158-R162 PolarHBondContact O-N 2.7Å; K158-R162 VanDerWaalsContact O-N 3.09Å
159V97.7Very high96.7Very high51 Ų5177.1 Ų77.131%0.30939%0.389SS..Hα-helixtrans-64.1-49.1176.7173.40000110.3W79 M144 E155 Y156 R161 R162 I163W79-V159 HydrophobicContact CB-CG1 3.72Å; W79-V159 HydrophobicContact CG-CG1 3.78Å; M144-V159 HydrophobicContact SD-CG2 4.19Å; E155-V159 WeakPolarHBondContact O-CG2 3.4Å; E155-V159 PolarHBondContact O-N 2.93Å; Y156-V159 PolarHBondContact O-N 3.12Å; V159-R161 PolarHBondContact O-N 2.79Å; V159-R162 WeakPolarHBondContact O-CB 3.33Å; V159-R162 PolarHBondContact O-N 2.81Å; V159-I163 HydrophobicContact CG1-CD1 4.09Å; V159-I163 WeakPolarHBondContact O-CG1 3.31Å; V159-I163 PolarHBondContact O-N 2.98Å
160V97.1Very high96.7Very high2 Ų273.5 Ų73.51%0.01237%0.372CS..Hα-helixtrans-61-46179.1176.40000111.3I49 Y50 Y156 R162 I163 V164I49-V160 HydrophobicContact CB-CG1 4.22Å; I49-V160 HydrophobicContact CD1-CB 4.06Å; I49-V160 HydrophobicContact CD1-CG1 3.93Å; I49-V160 HydrophobicContact CD1-CG2 4Å; I49-V160 HydrophobicContact CG1-CB 4.46Å; I49-V160 HydrophobicContact CG1-CG1 3.91Å; Y50-V160 HydrophobicContact CD1-CG1 3.71Å; Y50-V160 HydrophobicContact CD2-CG1 4.47Å; Y50-V160 HydrophobicContact CE1-CG1 3.46Å; Y50-V160 VanDerWaalsContact CE1-CG1 3.46Å; Y50-V160 HydrophobicContact CE2-CG1 4.25Å; Y50-V160 HydrophobicContact CG-CG1 4.21Å; Y156-V160 HydrophobicContact CD1-CG2 4.16Å; Y156-V160 HydrophobicContact CE1-CG2 3.78Å; Y156-V160 WeakPolarHBondContact O-CG2 3.29Å; Y156-V160 PolarHBondContact O-N 3.24Å; V160-R162 VanDerWaalsContact C-N 3.28Å; V160-R162 PolarHBondContact O-N 3.39Å; V160-I163 WeakPolarHBondContact O-CB 3.49Å; V160-I163 PolarHBondContact O-N 2.78Å; V160-I163 VanDerWaalsContact O-N 3.11Å; V160-V164 HydrophobicContact CG1-CG2 4.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.47Å; V160-V164 PolarHBondContact O-N 2.82Å
161R96.8Very high96.7Very high142 Ų14267 Ų6754%0.53634%0.342SS..Hα-helixtrans-60.5-35.2176.7-74.8175.8-174.1176.44.1113A157 V159 Q165A157-R161 WeakPolarHBondContact O-CB 3.43Å; A157-R161 WeakPolarHBondContact O-CG 3.37Å; A157-R161 PolarHBondContact O-N 2.81Å; V159-R161 PolarHBondContact O-N 2.79Å; R161-Q165 VanDerWaalsContact O-CG 3.26Å; R161-Q165 WeakPolarHBondContact O-CG 3.44Å; R161-Q165 PolarHBondContact O-N 2.99Å
162R97.5Very high96.6Very high177 Ų17767.6 Ų67.667%0.66834%0.341SS*.Hα-helixtrans-66.5-43.3174.9-175-179.4-67178.20.3111.2K158 V159 V160 Q165 M166K158-R162 PolarHBondContact O-N 2.7Å; K158-R162 VanDerWaalsContact O-N 3.09Å; V159-R162 WeakPolarHBondContact O-CB 3.33Å; V159-R162 PolarHBondContact O-N 2.81Å; V160-R162 VanDerWaalsContact C-N 3.28Å; V160-R162 PolarHBondContact O-N 3.39Å; R162-Q165 PolarHBondContact O-N 3.47Å; R162-M166 WeakPolarHBondContact O-CG 3.45Å; R162-M166 PolarHBondContact O-N 2.92Å; R162-M166 VanDerWaalsContact O-N 3.14Å
163I96.9Very high96.5Very high29 Ų2971 Ų7115%0.14935%0.345CS..Hα-helixtrans-60-48.2175.5-67.4166.3000109.9T76 R77 L78 W79 V159 V160 Q165 M166 T167T76-I163 HydrophobicContact CG2-CG2 4.42Å; R77-I163 WeakPolarHBondContact O-CG2 3.45Å; L78-I163 HydrophobicContact CD2-CG2 3.9Å; W79-I163 HydrophobicContact CB-CD1 3.73Å; V159-I163 HydrophobicContact CG1-CD1 4.09Å; V159-I163 WeakPolarHBondContact O-CG1 3.31Å; V159-I163 PolarHBondContact O-N 2.98Å; V160-I163 WeakPolarHBondContact O-CB 3.49Å; V160-I163 PolarHBondContact O-N 2.78Å; V160-I163 VanDerWaalsContact O-N 3.11Å; I163-Q165 VanDerWaalsContact C-N 3.33Å; I163-Q165 PolarHBondContact O-N 2.95Å; I163-M166 WeakPolarHBondContact O-CB 3.37Å; I163-M166 PolarHBondContact O-N 3.45Å; I163-M166 VanDerWaalsContact O-N 3.08Å; I163-T167 WeakPolarHBondContact O-CG2 3.5Å; I163-T167 PolarHBondContact O-N 2.97Å
164V96.3Very high96.4Very high13 Ų1372.2 Ų72.28%0.07935%0.352CS..Hα-helixtrans-53.8-48.1175.9165.20000111.6Y50 E51 V160 M166 T167Y50-V164 HydrophobicContact CD1-CG2 4.36Å; E51-V164 VanDerWaalsContact O-CG1 3.28Å; E51-V164 WeakPolarHBondContact O-CG1 3.44Å; V160-V164 HydrophobicContact CG1-CG2 4.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.47Å; V160-V164 PolarHBondContact O-N 2.82Å; V164-M166 VanDerWaalsContact C-N 3.29Å; V164-M166 PolarHBondContact O-N 3.49Å; V164-T167 WeakPolarHBondContact O-CB 3.32Å; V164-T167 PolarHBondContact O-N 3.45Å; V164-T167 PolarHBondContact O-OG1 3.48Å
165Q95.8Very high96.3Very high141 Ų14172.1 Ų72.166%0.65937%0.368SS*.Hα-helixtrans-58.8-39.3177.5-74.9169.3-3.800112.8R161 R162 I163 T167 A168R161-Q165 VanDerWaalsContact O-CG 3.26Å; R161-Q165 WeakPolarHBondContact O-CG 3.44Å; R161-Q165 PolarHBondContact O-N 2.99Å; R162-Q165 PolarHBondContact O-N 3.47Å; I163-Q165 VanDerWaalsContact C-N 3.33Å; I163-Q165 PolarHBondContact O-N 2.95Å; Q165-T167 VanDerWaalsContact C-N 3.25Å; Q165-T167 PolarHBondContact O-N 3.22Å; Q165-A168 VanDerWaalsContact O-CB 3.3Å; Q165-A168 WeakPolarHBondContact O-CB 3.4Å; Q165-A168 PolarHBondContact O-N 3.37Å
166M96.3Very high96.1Very high123 Ų12368.3 Ų68.361%0.60635%0.352SS*.Hα-helixtrans-65.7-29.6177.6-66.6173.46500112.2R162 I163 V164 A168 E169R162-M166 WeakPolarHBondContact O-CG 3.45Å; R162-M166 PolarHBondContact O-N 2.92Å; R162-M166 VanDerWaalsContact O-N 3.14Å; I163-M166 WeakPolarHBondContact O-CB 3.37Å; I163-M166 PolarHBondContact O-N 3.45Å; I163-M166 VanDerWaalsContact O-N 3.08Å; V164-M166 VanDerWaalsContact C-N 3.29Å; V164-M166 PolarHBondContact O-N 3.49Å; M166-A168 PolarHBondContact O-N 2.77Å; M166-E169 PolarHBondContact O-N 2.97Å
167T97.2Very high95.9Very high1 Ų174.1 Ų74.11%0.00639%0.387CS..Hα-helixtrans-69.5-14.2177.672.10000114.1Y54 L55 T76 I163 V164 Q165 E169 D170 A171Y54-T167 PolarHBondContact N-OG1 3.29Å; Y54-T167 VanDerWaalsContact O-CB 3.28Å; Y54-T167 WeakPolarHBondContact O-CB 3.34Å; Y54-T167 WeakPolarHBondContact O-CG2 2.94Å; L55-T167 HydrophobicContact CD2-CG2 3.91Å; T76-T167 HydrophobicContact CG2-CG2 3.71Å; I163-T167 WeakPolarHBondContact O-CG2 3.5Å; I163-T167 PolarHBondContact O-N 2.97Å; V164-T167 WeakPolarHBondContact O-CB 3.32Å; V164-T167 PolarHBondContact O-N 3.45Å; V164-T167 PolarHBondContact O-OG1 3.48Å; Q165-T167 VanDerWaalsContact C-N 3.25Å; Q165-T167 PolarHBondContact O-N 3.22Å; T167-E169 VanDerWaalsContact C-N 3.26Å; T167-E169 PolarHBondContact O-N 3.3Å; T167-D170 WeakPolarHBondContact O-CB 3.39Å; T167-D170 PolarHBondContact O-N 3.46Å; T167-D170 VanDerWaalsContact O-N 3.14Å; T167-A171 PolarHBondContact O-N 2.87Å
168A94.6Very high95.7Very high57 Ų5775.3 Ų75.347%0.47139%0.394SS..Hα-helixtrans-62.6-35.217500000112Q165 M166 D170 A171 A172Q165-A168 VanDerWaalsContact O-CB 3.3Å; Q165-A168 WeakPolarHBondContact O-CB 3.4Å; Q165-A168 PolarHBondContact O-N 3.37Å; M166-A168 PolarHBondContact O-N 2.77Å; A168-D170 VanDerWaalsContact C-N 3.35Å; A168-A171 PolarHBondContact O-N 2.99Å; A168-A172 WeakPolarHBondContact O-CB 3.29Å; A168-A172 PolarHBondContact O-N 3.49Å
169E94.5Very high95.3Very high153 Ų15370.6 Ų70.672%0.71538%0.375SS*.Hα-helixtrans-67.4-37.8174.7-64-178.8177.100111.3M166 T167 A172 R173M166-E169 PolarHBondContact O-N 2.97Å; T167-E169 VanDerWaalsContact C-N 3.26Å; T167-E169 PolarHBondContact O-N 3.3Å; E169-A172 PolarHBondContact O-N 3.49Å; E169-R173 WeakPolarHBondContact O-CB 2.76Å; E169-R173 PolarHBondContact O-N 2.89Å
170D95.4Very high94.7Very high41 Ų4172.1 Ų72.122%0.21938%0.384CS..Hα-helixtrans-65.4-43.5175-69-39.5000111.7Y54 T167 A168 R173 D174Y54-D170 HydrophobicContact CD1-CB 3.92Å; Y54-D170 HydrophobicContact CE1-CB 4.18Å; T167-D170 WeakPolarHBondContact O-CB 3.39Å; T167-D170 PolarHBondContact O-N 3.46Å; T167-D170 VanDerWaalsContact O-N 3.14Å; A168-D170 VanDerWaalsContact C-N 3.35Å; D170-R173 PolarHBondContact O-N 3.43Å; D170-R173 IonicContact OD1-CZ 2.7Å; D170-R173 IonicContact OD1-NH1 3.72Å; D170-R173 PolarHBondContact OD1-NH1 2.86Å; D170-R173 IonicContact OD1-NH2 2.78Å; D170-R173 PolarHBondContact OD1-NH2 3.48Å; D170-D174 WeakPolarHBondContact O-CB 3.49Å; D170-D174 PolarHBondContact O-N 3.13Å
171A95.7Very high94.2Very high4 Ų475 Ų753%0.03340%0.402CS..Hα-helixtrans-63.1-43.9176.800000111.3Y54 T167 A168 R173 D174 G175 V176 V178Y54-A171 VanDerWaalsContact CD1-CA 3.5Å; Y54-A171 HydrophobicContact CD1-CB 3.72Å; Y54-A171 HydrophobicContact CE1-CB 4.39Å; Y54-A171 HydrophobicContact CG-CB 3.92Å; T167-A171 PolarHBondContact O-N 2.87Å; A168-A171 PolarHBondContact O-N 2.99Å; A171-R173 PolarHBondContact O-N 2.96Å; A171-D174 CarbonylContact O-C 3.58Å; A171-D174 PolarHBondContact O-N 3.01Å; A171-G175 PolarHBondContact O-N 3.49Å; A171-V176 HydrophobicContact CB-CB 4.48Å; A171-V176 PolarHBondContact O-N 2.96Å; A171-V178 HydrophobicContact CB-CG2 3.76Å
172A95.7Very high93.7Very high79 Ų7972.6 Ų72.665%0.65340%0.403SS*.Hα-helixtrans-62.3-43.117700000112.1A168 E169 D174 G175A168-A172 WeakPolarHBondContact O-CB 3.29Å; A168-A172 PolarHBondContact O-N 3.49Å; E169-A172 PolarHBondContact O-N 3.49Å; A172-D174 VanDerWaalsContact C-N 3.33Å; A172-D174 PolarHBondContact O-N 3.06Å; A172-G175 PolarHBondContact O-N 2.92Å
173R95.4Very high93.1Very high150 Ų15070.8 Ų70.857%0.56641%0.407SS*.Hα-helixtrans-64-38.8176.8-176.2-17461.3-114.4-12.4112.2E169 D170 A171 G175E169-R173 WeakPolarHBondContact O-CB 2.76Å; E169-R173 PolarHBondContact O-N 2.89Å; D170-R173 PolarHBondContact O-N 3.43Å; D170-R173 IonicContact OD1-CZ 2.7Å; D170-R173 IonicContact OD1-NH1 3.72Å; D170-R173 PolarHBondContact OD1-NH1 2.86Å; D170-R173 IonicContact OD1-NH2 2.78Å; D170-R173 PolarHBondContact OD1-NH2 3.48Å; A171-R173 PolarHBondContact O-N 2.96Å; R173-G175 VanDerWaalsContact C-N 3.28Å
174D95Very high92.5Very high60 Ų6073.7 Ų73.732%0.32142%0.422SS..Hα-helixtrans-84.9-1.6-178.7-60.8-0.2000112.2Y54 K56 D170 A171 A172 V176Y54-D174 HydrophobicContact CE1-CB 4.21Å; Y54-D174 VanDerWaalsContact CE1-OD2 3.28Å; Y54-D174 WeakPolarHBondContact CE1-OD2 3.48Å; Y54-D174 PolarHBondContact OH-OD2 2.86Å; K56-D174 IonicContact NZ-OD1 2.79Å; K56-D174 IonicContact NZ-OD2 3.46Å; K56-D174 PolarHBondContact NZ-OD2 2.91Å; D170-D174 WeakPolarHBondContact O-CB 3.49Å; D170-D174 PolarHBondContact O-N 3.13Å; A171-D174 CarbonylContact O-C 3.58Å; A171-D174 PolarHBondContact O-N 3.01Å; A172-D174 VanDerWaalsContact C-N 3.33Å; A172-D174 PolarHBondContact O-N 3.06Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 HydrophobicContact CB-CG2 4.06Å; D174-V176 PolarHBondContact O-N 3.05Å
175G94.9Very high92Very high68 Ų6874 Ų7470%0.70142%0.422SS*.THydrogen-bonded Turntrans69.225.2-179.600000113.9A171 A172 R173A171-G175 PolarHBondContact O-N 3.49Å; A172-G175 PolarHBondContact O-N 2.92Å; R173-G175 VanDerWaalsContact C-N 3.28Å
176V93.7Very high91.3Very high25 Ų2569.3 Ų69.315%0.15240%0.404CS..PPolyproline II helixtrans-95.8126.3-174.9175.80000110.7F43 Y54 A171 D174F43-V176 HydrophobicContact CE1-CG1 3.54Å; F43-V176 HydrophobicContact CZ-CG1 3.71Å; Y54-V176 HydrophobicContact CD2-CG1 4.17Å; Y54-V176 HydrophobicContact CE2-CB 4.23Å; Y54-V176 HydrophobicContact CE2-CG1 3.96Å; Y54-V176 HydrophobicContact CE2-CG2 4.07Å; A171-V176 HydrophobicContact CB-CB 4.48Å; A171-V176 PolarHBondContact O-N 2.96Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 HydrophobicContact CB-CG2 4.06Å; D174-V176 PolarHBondContact O-N 3.05Å
177V92.2Very high89.8Confident123 Ų12368.3 Ų68.375%0.74541%0.405SS*.PPolyproline II helixtrans-85.5116.9166.9-176.80000108.3
178V92.9Very high87.6Confident28 Ų2875.3 Ų75.317%0.1744%0.435CS..PPolyproline II helixtrans-80.5129.4179.7-179.10000109.5F43 A171F43-V178 HydrophobicContact CD1-CG1 4.11Å; F43-V178 HydrophobicContact CD1-CG2 4.47Å; F43-V178 HydrophobicContact CE1-CG2 4.48Å; A171-V178 HydrophobicContact CB-CG2 3.76Å
179P90.3Very high85.1Confident16 Ų1676.3 Ų76.310%0.10444%0.436CS..PPolyproline II helixtrans-66.7132.5175.328.4-34.1000110.5F43 D184 Y185F43-P179 HydrophobicContact CB-CG 3.75Å; F43-P179 HydrophobicContact CD1-CG 4.34Å; F43-P179 HydrophobicContact CD2-CG 4.3Å; F43-P179 HydrophobicContact CG-CG 3.87Å; P179-D184 HydrophobicContact CB-CB 3.67Å; P179-Y185 HydrophobicContact CB-CD2 4.47Å; P179-Y185 HydrophobicContact CG-CD2 3.98Å
180T84.9Confident82.5Confident83 Ų8375.7 Ų75.751%0.50944%0.436SS..  trans-119.6-11.5179.655.60000113
181T86.9Confident79.6Confident62 Ų6279.7 Ų79.738%0.3846%0.455SS..SBendtrans-111.3159.1175.574.10000110.4D183 D184 Y185T181-D183 VanDerWaalsContact C-N 3.25Å; T181-D183 PolarHBondContact O-N 3.49Å; T181-D184 PolarHBondContact O-N 3.17Å; T181-D184 PolarHBondContact OG1-N 2.99Å; T181-D184 VanDerWaalsContact OG1-N 3.14Å; T181-D184 PolarHBondContact OG1-OD2 3.4Å; T181-Y185 WeakPolarHBondContact O-CB 3.48Å; T181-Y185 PolarHBondContact O-N 2.88Å
182V85.6Confident76.6Confident91 Ų9187.8 Ų87.855%0.55249%0.492SS*.Hα-helixtrans-60.8-39175.3178.20000110.6P46 D184 Y185 C186P46-V182 HydrophobicContact CB-CG2 4.19Å; P46-V182 HydrophobicContact CG-CG2 4.25Å; V182-D184 PolarHBondContact O-N 2.95Å; V182-Y185 PolarHBondContact O-N 3.28Å; V182-C186 WeakPolarHBondContact O-CB 3.35Å; V182-C186 PolarHBondContact O-N 3.37Å
183D85.5Confident73.6Confident140 Ų14091.8 Ų91.875%0.74950%0.495SS*.Hα-helixtrans-65.8-37.3179.3-68.4-27.7000112.3T181T181-D183 VanDerWaalsContact C-N 3.25Å; T181-D183 PolarHBondContact O-N 3.49Å
184D84.9Confident70.7Confident89 Ų8991.1 Ų91.148%0.47651%0.51SS..Hα-helixtrans-73.4-30.8175.8-60.7-41.8000112.1P179 T181 V182P179-D184 HydrophobicContact CB-CB 3.67Å; T181-D184 PolarHBondContact O-N 3.17Å; T181-D184 PolarHBondContact OG1-N 2.99Å; T181-D184 VanDerWaalsContact OG1-N 3.14Å; T181-D184 PolarHBondContact OG1-OD2 3.4Å; V182-D184 PolarHBondContact O-N 2.95Å
185Y85.1Confident68.3Low19 Ų1991.6 Ų91.68%0.07553%0.529CS..Hα-helixtrans-75.1-46.5179.6-166.8-90.8000111.8E23 G24 F43 P45 I125 P179 T181 V182 V187E23-Y185 HydrophobicContact CB-CD1 4.47Å; E23-Y185 HydrophobicContact CB-CE1 4.31Å; G24-Y185 VanDerWaalsContact CA-CZ 3.41Å; G24-Y185 WeakPolarHBondContact CA-OH 3.43Å; F43-Y185 HydrophobicContact CB-CE2 4.03Å; F43-Y185 VanDerWaalsContact O-CE2 3.27Å; F43-Y185 WeakPolarHBondContact O-CE2 3.45Å; F43-Y185 PolarHBondContact O-OH 3.28Å; F43-Y185 VanDerWaalsContact O-OH 3.12Å; P45-Y185 HydrophobicContact CB-CE1 4.35Å; P45-Y185 HydrophobicContact CB-CE2 4.23Å; P45-Y185 HydrophobicContact CG-CE2 4.38Å; P45-Y185 WeakPolarHBondContact CG-OH 3.32Å; I125-Y185 WeakPolarHBondContact CD1-OH 3.46Å; P179-Y185 HydrophobicContact CB-CD2 4.47Å; P179-Y185 HydrophobicContact CG-CD2 3.98Å; T181-Y185 WeakPolarHBondContact O-CB 3.48Å; T181-Y185 PolarHBondContact O-N 2.88Å; V182-Y185 PolarHBondContact O-N 3.28Å; Y185-V187 VanDerWaalsContact C-N 3.34Å; Y185-V187 PolarHBondContact O-N 3.16Å; Y185-V187 VanDerWaalsContact O-N 3.16Å
186C81Confident65.7Low43 Ų4394 Ų9429%0.29153%0.526SS..SBendtrans-87.172.6178.1-63.70000109.6V182 K188V182-C186 WeakPolarHBondContact O-CB 3.35Å; V182-C186 PolarHBondContact O-N 3.37Å; C186-K188 PolarHBondContact O-N 2.8Å
187V64.8Low63.7Low103 Ų10398.1 Ų98.162%0.62456%0.563SS**  trans-65.8100.3173.5-177.70000108.3Y185 T189Y185-V187 VanDerWaalsContact C-N 3.34Å; Y185-V187 PolarHBondContact O-N 3.16Å; Y185-V187 VanDerWaalsContact O-N 3.16Å; V187-T189 PolarHBondContact O-N 3.46Å
188K51.5Low61.7Low147 Ų14798 Ų9864%0.63956%0.558SS**  trans-56.7115.1169.3-65.6-175.3178.7-173.70107.7C186 I190C186-K188 PolarHBondContact O-N 2.8Å; K188-I190 VanDerWaalsContact C-N 3.29Å; K188-I190 PolarHBondContact O-N 2.82Å
189T40.7Very low59.3Low78 Ų78100.7 Ų100.748%0.47959%0.592SS.*  trans-63.993171.5-43.50000108.3V187 M191V187-T189 PolarHBondContact O-N 3.46Å; T189-M191 HydrophobicContact CG2-CG 4.15Å; T189-M191 PolarHBondContact O-N 2.73Å
190I39.5Very low57.2Low141 Ų141106.1 Ų106.172%0.72362%0.616SS**  trans-80.693.7169.1-58176.3000106K188 E192K188-I190 VanDerWaalsContact C-N 3.29Å; K188-I190 PolarHBondContact O-N 2.82Å; I190-E192 HydrophobicContact CG2-CG 4.35Å; I190-E192 PolarHBondContact O-N 3.05Å
191M36Very low55Low124 Ų124112.2 Ų112.261%0.61163%0.63SS**  trans-75104.2163.5-73.9-169.8159.200108.3E20 T189 K193E20-M191 HydrophobicContact CG-CE 4.11Å; T189-M191 HydrophobicContact CG2-CG 4.15Å; T189-M191 PolarHBondContact O-N 2.73Å; M191-K193 PolarHBondContact O-N 3.21Å
192E31.4Very low52.9Low175 Ų175118.9 Ų118.982%0.81865%0.649SS**  trans-68.8110.5164.3-67.9-172.2164.900108.3I190I190-E192 HydrophobicContact CG2-CG 4.35Å; I190-E192 PolarHBondContact O-N 3.05Å
193K32.8Very low50.6Low162 Ų162121.5 Ų121.570%0.70466%0.655SS**  trans-60128.4167.5-99.6-176.1174.31800108.6M191 G195 D196M191-K193 PolarHBondContact O-N 3.21Å; K193-G195 PolarHBondContact O-N 3.43Å; K193-D196 IonicContact NZ-OD2 2.65Å
194P35.1Very low48.5Very low136 Ų136122.6 Ų122.688%0.88366%0.658SS**THydrogen-bonded Turntrans-72.7104.5168.228.2-27.7000108.3
195G45.2Very low46.3Very low71 Ų71126.3 Ų126.373%0.73267%0.673SS**THydrogen-bonded Turntrans129.63.3157.700000120.2K193K193-G195 PolarHBondContact O-N 3.43Å
196D40.7Very low44.2Very low117 Ų117134.1 Ų134.163%0.62671%0.707SS**  trans-99.3110.6179-74.3-32.3000111.5K193 D198K193-D196 IonicContact NZ-OD2 2.65Å; D196-D198 PolarHBondContact O-N 2.87Å; D196-D198 VanDerWaalsContact O-N 3.1Å
197A50.2Low42.2Very low113 Ų113138.7 Ų138.793%0.93472%0.724SS**SBendtrans-75.217.417900000114.2
198D49.8Very low40.9Very low119 Ų119143.4 Ų143.464%0.63674%0.736SS**SBendtrans-135.2101.3-177.7-154.419.9000108.4D196 Q200D196-D198 PolarHBondContact O-N 2.87Å; D196-D198 VanDerWaalsContact O-N 3.1Å; D198-Q200 PolarHBondContact O-N 3.45Å
199G43.2Very low40.5Very low86 Ų86146.9 Ų146.989%0.88775%0.746SS**  trans-70.661-167.600000114.8R201G199-R201 PolarHBondContact O-N 2.99Å
200Q46.5Very low40.2Very low130 Ų130152.4 Ų152.461%0.60776%0.758SS**  trans-85.2107.9171.8-92.9161.4-0.100111D198 Y202D198-Q200 PolarHBondContact O-N 3.45Å; Q200-Y202 HydrophobicContact CB-CE2 4.05Å; Q200-Y202 VanDerWaalsContact O-CD2 3.25Å; Q200-Y202 WeakPolarHBondContact O-CD2 3.48Å; Q200-Y202 PolarHBondContact O-N 3.38Å
201R39.4Very low40.2Very low211 Ų211152.6 Ų152.680%0.79676%0.76SS**  trans-70.9115.7173.7-173.2178.3-178.3162.3-0.1109.2G199G199-R201 PolarHBondContact O-N 2.99Å
202Y42.5Very low40.4Very low201 Ų201152.1 Ų152.179%0.78876%0.76SS**  trans-100.4116170.1-67.5-90.2000108.6Q200Q200-Y202 HydrophobicContact CB-CE2 4.05Å; Q200-Y202 VanDerWaalsContact O-CD2 3.25Å; Q200-Y202 WeakPolarHBondContact O-CD2 3.48Å; Q200-Y202 PolarHBondContact O-N 3.38Å
203E37.9Very low41.1Very low147 Ų147152 Ų15269%0.68776%0.759SS**  trans-85.4124.8165.1-89.7178.6155.800108.4
204M40.8Very low41.5Very low163 Ų163149.5 Ų149.580%0.80376%0.761SS**  trans-101.796.6171.6-148.4-176.5-56.900107.6F206M204-F206 PolarHBondContact O-N 3.01Å; M204-F206 HydrophobicContact SD-CE2 4.3Å
205E37.6Very low41.9Very low167 Ų167147.8 Ų147.878%0.7875%0.753SS**  trans-71.3109.1167.8-89.8-178.2149.900108.8H207E205-H207 PolarHBondContact O-N 2.92Å; E205-H207 VanDerWaalsContact O-N 3.11Å
206F41.3Very low41.7Very low183 Ų183152.6 Ų152.680%0.80376%0.756SS**  trans-74.396.6167.3-103.4-93.3000108.8M204 F208M204-F206 PolarHBondContact O-N 3.01Å; M204-F206 HydrophobicContact SD-CE2 4.3Å; F206-F208 PolarHBondContact O-N 3.4Å
207H39.1Very low41.6Very low139 Ų139153.9 Ų153.964%0.64476%0.763SS**  trans-64.6116.8160.8-88.1-82.9000108.6E205 W209E205-H207 PolarHBondContact O-N 2.92Å; E205-H207 VanDerWaalsContact O-N 3.11Å; H207-W209 PolarHBondContact O-N 3.38Å
208F38.1Very low41.3Very low202 Ų202156.9 Ų156.989%0.88676%0.758SS**  trans-57102.5174.6-149.4-95.6000109F206 R210F206-F208 PolarHBondContact O-N 3.4Å; F208-R210 PolarHBondContact O-N 3.27Å
209W42.1Very low41Very low219 Ų219160.2 Ų160.283%0.8377%0.769SS**  trans-71.999.3169.4-65.495000107.4H207 N211H207-W209 PolarHBondContact O-N 3.38Å; W209-N211 PolarHBondContact O-N 3.33Å
210R34.4Very low40.8Very low195 Ų195164.4 Ų164.474%0.73677%0.766SS**  trans-6291.4156.3-176.9178.8175.2126.75.7106.5F208 D212F208-R210 PolarHBondContact O-N 3.27Å; R210-D212 IonicContact CZ-OD2 2.71Å; R210-D212 IonicContact NE-OD1 3.14Å; R210-D212 IonicContact NE-OD2 2.73Å; R210-D212 PolarHBondContact NE-OD2 2.97Å; R210-D212 IonicContact NH2-OD1 2.71Å; R210-D212 IonicContact NH2-OD2 3.76Å; R210-D212 PolarHBondContact O-N 3.09Å
211N39.7Very low40.8Very low144 Ų144165.7 Ų165.777%0.7778%0.777SS**  trans-78.281.7168.9-118.520.3000107.4W209 E213W209-N211 PolarHBondContact O-N 3.33Å; N211-E213 VanDerWaalsContact C-N 3.29Å; N211-E213 PolarHBondContact O-N 3.11Å
212D41.5Very low41.1Very low115 Ų115164.1 Ų164.162%0.61578%0.779SS**  trans-73.583.3158.3-84.8-32.9000107.4R210R210-D212 IonicContact CZ-OD2 2.71Å; R210-D212 IonicContact NE-OD1 3.14Å; R210-D212 IonicContact NE-OD2 2.73Å; R210-D212 PolarHBondContact NE-OD2 2.97Å; R210-D212 IonicContact NH2-OD1 2.71Å; R210-D212 IonicContact NH2-OD2 3.76Å; R210-D212 PolarHBondContact O-N 3.09Å
213E46.4Very low41.2Very low171 Ų171164.1 Ų164.180%0.79979%0.786SS**  trans-149.176.6160.8-73.7-164.5170.600109.7N211N211-E213 VanDerWaalsContact C-N 3.29Å; N211-E213 PolarHBondContact O-N 3.11Å
214C41Very low41.5Very low110 Ų110164.9 Ų164.974%0.74380%0.795SS**  trans-104.191.9144.6-74.50000105.1E216C214-E216 PolarHBondContact O-N 3.28Å
215S41.9Very low41.5Very low101 Ų101160.9 Ų160.971%0.70680%0.796SS**  trans-68112.4176.960.20000109.3N217S215-N217 PolarHBondContact O-N 3.07Å
216E40.7Very low41.8Very low171 Ų171159 Ų15980%0.79980%0.801SS**  trans-61.5115.2161.4-67.4167.816800108.3C214C214-E216 PolarHBondContact O-N 3.28Å
217N38.8Very low41.8Very low145 Ų145153.5 Ų153.578%0.77580%0.795SS**  trans-98.986.1159.7-76.1-20.4000106.7S215S215-N217 PolarHBondContact O-N 3.07Å
218E44.5Very low42Very low175 Ų175156.2 Ų156.282%0.81881%0.808SS**  trans-95.9107.7157.4-67.8-172.8169.700106.5
219E42.7Very low42.3Very low189 Ų189151.8 Ų151.888%0.88380%0.803SS**  trans-96.397.9168.8-73-175179.600108.5
220E40.4Very low42.5Very low175 Ų175145.4 Ų145.482%0.81880%0.796SS**  trans-135.6130157.3-70.8-169.6175.200107
221D46.7Very low43.1Very low156 Ų156143.6 Ų143.683%0.83480%0.796SS**  trans151.3139.2162-77.6-16.1000107.6
222E45.3Very low43.5Very low178 Ų178143.9 Ų143.983%0.83279%0.791SS**  cis-164.6161.8-11.8-99-163.316600104.6
223E43.6Very low43.7Very low201 Ų201147.3 Ų147.394%0.93980%0.803SS**  trans-61.7138-178.3-59.9177.2146.300114.7
224D44.6Very low43.6Very low163 Ų163142.7 Ų142.787%0.87280%0.801SS**  trans-135.8129.9150.874.8-13.2000113.2
225G41.3Very low44Very low80 Ų80145.7 Ų145.783%0.82581%0.805SS**  trans-96.2132.9-174.600000113.6
226S44Very low44.3Very low127 Ų127147.7 Ų147.789%0.88881%0.807SS**  trans-169.6132.8148.258.50000105.9
227G41.5Very low44.4Very low67 Ų67142.7 Ų142.769%0.69180%0.801SS**  cis129.9120.928.400000106.9
228Q42.6Very low45Very low196 Ų196144.4 Ų144.492%0.91681%0.805SS**  trans81138.2167.7-50.3171.77.500115.3
229S45.1Very low45.3Very low110 Ų110144 Ų14477%0.76980%0.803SS**  cis-171.1138.713.339.90000108
230A46Very low45.7Very low84 Ų84143.3 Ų143.369%0.69480%0.799SS**  106.4124.6111.200000117.1
231E46.9Very low46.2Very low158 Ų158144.1 Ų144.174%0.73880%0.803SS**  trans68.5138.6144.3-62.9-177.9-157.600118.9
232K48.9Very low46.2Very low149 Ų149147.9 Ų147.965%0.64881%0.806SS**  cis-169.9132.615.2-111.1164.2-178.3146.50107.9
233E45.8Very low46.8Very low187 Ų187146.3 Ų146.387%0.87481%0.808SS**  73.7132.4107.3-68.8-173.1170.600120
234G42.5Very low46.9Very low74 Ų74144 Ų14476%0.76380%0.802SS**  trans128.182.5155.300000115.6
235E50.1Low47.4Very low174 Ų174143 Ų14381%0.81380%0.801SS**  73.612181.8-96.9-164.5168.400118.8
236N48.1Very low47.8Very low143 Ų143143.9 Ų143.977%0.76580%0.795SS**  trans100.9131.9134.7-61.3-21.1000123.9
237G43.9Very low48.4Very low65 Ų65150.9 Ų150.967%0.6781%0.814SS**  trans117.597.8150.200000115.1
238E50.1Low48.8Very low182 Ų182155.1 Ų155.185%0.8582%0.82SS**  56.1127.377.4-70.5-178.8173.700111.6
239E51.2Low49.1Very low165 Ų165152.9 Ų152.977%0.77182%0.815SS**  cis-169.9157.836.4-112.6163.5-178.600110.6
240E50.5Low49.3Very low175 Ų175155.3 Ų155.382%0.81882%0.818SS**  trans4141.9149.8-50.1-169.9154.800120.3
241E50.5Low49.5Very low193 Ų193159.5 Ų159.590%0.90283%0.825SS**  -167.9150.781.2-122-176.9158.300113.4
242R48.4Very low49.7Very low234 Ų234159.6 Ų159.688%0.88383%0.831SS**  trans-81.6152.7-178.6-60.8164.2171.9175.9-1.8111.9
243V56.7Low49.7Very low146 Ų146160.3 Ų160.389%0.88584%0.843SS**  -156.3120.6129.9174.80000110.7
244N45.3Very low50Low151 Ų151158.4 Ų158.481%0.80784%0.841SS**  trans-66.3147.2163.7-93.6-26.2000111.9
245V55.4Low50.6Low142 Ų142164.9 Ų164.986%0.86185%0.847SS**  -153.6128.7122.4-177.90000109.4
246S51.1Low50.6Low100 Ų100164.2 Ų164.270%0.69985%0.849SS**  trans-82.9132.3172.847.40000112.8
247E56.2Low50.8Low274 Ų274166.1 Ų166.1100%1.2886%0.857SS**  -172.60126.2-106.6-175.2135.500109.5

Retrieved 247 of 247 residues in 72.2 ms (Link to these results)

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