A0A077YWQ9_TRITR Loading...

DCP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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
1M37.3Very low73.8Confident192 Ų19283.1 Ų83.195%0.94645%0.445SS*.  0-72.20-66.4-163.3-160.400112.1M3 D4 M5M1-M3 PolarHBondContact O-N 3.15Å; M1-D4 WeakPolarHBondContact CA-OD2 3.5Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 PolarHBondContact O-N 3.17Å; M1-M5 PolarHBondContact O-N 2.86Å
2A56.5Low75.1Confident74 Ų7488.5 Ų88.561%0.61247%0.472SS*.Hα-helixtrans-62-39.7-177.600000114.1D4 M5 N6A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 3.37Å; A2-M5 PolarHBondContact O-N 3.2Å; A2-N6 PolarHBondContact O-N 3.17Å
3M59.1Low76.1Confident93 Ų9391.9 Ų91.946%0.45848%0.476SS..Hα-helixtrans-68.6-27.5-179.5-156178-151.100113.1M1 L7 V20 I21M1-M3 PolarHBondContact O-N 3.15Å; M3-L7 PolarHBondContact O-N 3.48Å; M3-L7 VanDerWaalsContact O-N 3.14Å; M3-V20 WeakPolarHBondContact CE-O 3.44Å; M3-V20 HydrophobicContact CG-CB 4.5Å; M3-I21 VanDerWaalsContact CE-O 3.31Å; M3-I21 WeakPolarHBondContact CE-O 3.43Å
4D60.2Low76.9Confident106 Ų10686.9 Ų86.957%0.56745%0.45SS*.Hα-helixtrans-75.1-38.7-179.1-52.4-55.9000111.4M1 A2 N6 L7 S8M1-D4 WeakPolarHBondContact CA-OD2 3.5Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 PolarHBondContact O-N 3.17Å; A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 3.37Å; D4-N6 VanDerWaalsContact C-N 3.3Å; D4-N6 PolarHBondContact O-N 3.35Å; D4-L7 PolarHBondContact O-N 3.43Å; D4-S8 PolarHBondContact O-N 3.16Å
5M70.7Confident77.6Confident134 Ų13485.8 Ų85.866%0.6647%0.469SS*.Hα-helixtrans-64.3-36.8173.4-66.9177.2175.400111.9M1 A2 L7 S8 T9M1-M5 PolarHBondContact O-N 2.86Å; A2-M5 PolarHBondContact O-N 3.2Å; M5-L7 VanDerWaalsContact C-N 3.33Å; M5-S8 PolarHBondContact O-OG 2.99Å; M5-T9 PolarHBondContact O-N 3.35Å; M5-T9 PolarHBondContact O-OG1 3.01Å
6N83.6Confident78.3Confident43 Ų4383.6 Ų83.623%0.2346%0.459CS..Hα-helixtrans-67.5-37.6176-68.8-7.5000111A2 D4 T9 V10 V20 F49A2-N6 PolarHBondContact O-N 3.17Å; D4-N6 VanDerWaalsContact C-N 3.3Å; D4-N6 PolarHBondContact O-N 3.35Å; N6-T9 PolarHBondContact O-N 3Å; N6-V10 WeakPolarHBondContact O-CG2 3.46Å; N6-V10 PolarHBondContact O-N 3.12Å; N6-V10 VanDerWaalsContact O-N 3.11Å; N6-V20 HydrophobicContact CB-CG2 4.48Å; N6-F49 HydrophobicContact CB-CD1 4.22Å; N6-F49 HydrophobicContact CB-CE1 3.66Å
7L87Confident79.1Confident29 Ų2978.8 Ų78.815%0.15243%0.433CS..Hα-helixtrans-65.8-43.3179.3-179.760.7000112.9M3 D4 M5 T9 R11 V17 V20M3-L7 PolarHBondContact O-N 3.48Å; M3-L7 VanDerWaalsContact O-N 3.14Å; D4-L7 PolarHBondContact O-N 3.43Å; M5-L7 VanDerWaalsContact C-N 3.33Å; L7-T9 VanDerWaalsContact C-N 3.31Å; L7-T9 PolarHBondContact O-N 3.48Å; L7-R11 HydrophobicContact CD1-CG 4.17Å; L7-R11 WeakPolarHBondContact O-CB 3.44Å; L7-R11 VanDerWaalsContact O-CG 3.3Å; L7-R11 WeakPolarHBondContact O-CG 3.07Å; L7-R11 PolarHBondContact O-N 3.13Å; L7-V17 HydrophobicContact CD1-CG1 3.73Å; L7-V20 HydrophobicContact CB-CG2 4.14Å; L7-V20 HydrophobicContact CD1-CG2 4.13Å
8S88.1Confident79.7Confident67 Ų6778.9 Ų78.947%0.46943%0.432SS..Hα-helixtrans-62-41.8176.754.20000111.3D4 M5 R11 L12D4-S8 PolarHBondContact O-N 3.16Å; M5-S8 PolarHBondContact O-OG 2.99Å; S8-R11 PolarHBondContact O-N 3.22Å; S8-L12 PolarHBondContact O-N 3.49Å
9T88.7Confident80.3Confident58 Ų5882.4 Ų82.436%0.35644%0.438SS..Hα-helixtrans-60.4-49.3179-53.90000111.8M5 N6 L7 R11 L12 Y13 L64M5-T9 PolarHBondContact O-N 3.35Å; M5-T9 PolarHBondContact O-OG1 3.01Å; N6-T9 PolarHBondContact O-N 3Å; L7-T9 VanDerWaalsContact C-N 3.31Å; L7-T9 PolarHBondContact O-N 3.48Å; T9-R11 VanDerWaalsContact C-N 3.34Å; T9-R11 PolarHBondContact O-N 2.94Å; T9-L12 WeakPolarHBondContact O-CB 3.4Å; T9-L12 PolarHBondContact O-N 3.01Å; T9-Y13 VanDerWaalsContact O-CD2 3.31Å; T9-Y13 WeakPolarHBondContact O-CD2 3.45Å; T9-L64 HydrophobicContact CG2-CD1 3.81Å
10V89.9Confident80.9Confident0 Ų078.4 Ų78.40%042%0.417CS..Hα-helixtrans-68.4-34.7179.7-176.30000111.3N6 L12 Y13 D14 V17 F49 F62 L64N6-V10 WeakPolarHBondContact O-CG2 3.46Å; N6-V10 PolarHBondContact O-N 3.12Å; N6-V10 VanDerWaalsContact O-N 3.11Å; V10-L12 VanDerWaalsContact C-N 3.26Å; V10-L12 PolarHBondContact O-N 3.36Å; V10-Y13 PolarHBondContact O-N 2.96Å; V10-Y13 VanDerWaalsContact O-N 3.09Å; V10-D14 PolarHBondContact O-N 3.21Å; V10-V17 HydrophobicContact CG1-CB 4.39Å; V10-V17 HydrophobicContact CG1-CG1 4.23Å; V10-V17 HydrophobicContact CG1-CG2 3.72Å; V10-F49 HydrophobicContact CG2-CB 3.98Å; V10-F49 HydrophobicContact CG2-CD1 4.05Å; V10-F49 HydrophobicContact CG2-CD2 3.46Å; V10-F49 VanDerWaalsContact CG2-CD2 3.46Å; V10-F49 HydrophobicContact CG2-CE1 4.44Å; V10-F49 HydrophobicContact CG2-CE2 3.89Å; V10-F49 HydrophobicContact CG2-CG 3.53Å; V10-F49 HydrophobicContact CG2-CZ 4.35Å; V10-F62 HydrophobicContact CG1-CB 4.34Å; V10-F62 HydrophobicContact CG1-CD1 4.19Å; V10-F62 HydrophobicContact CG1-CD2 4.03Å; V10-F62 HydrophobicContact CG1-CE2 4.36Å; V10-F62 HydrophobicContact CG1-CG 3.93Å; V10-L64 HydrophobicContact CG2-CD1 4.47Å
11R91.2Very high81.4Confident118 Ų11876.9 Ų76.945%0.44541%0.408SS..Hα-helixtrans-65.6-23.7177.4-81-179.2176.11754114.3L7 S8 T9 Y13 D14 V17 I18L7-R11 HydrophobicContact CD1-CG 4.17Å; L7-R11 WeakPolarHBondContact O-CB 3.44Å; L7-R11 VanDerWaalsContact O-CG 3.3Å; L7-R11 WeakPolarHBondContact O-CG 3.07Å; L7-R11 PolarHBondContact O-N 3.13Å; S8-R11 PolarHBondContact O-N 3.22Å; T9-R11 VanDerWaalsContact C-N 3.34Å; T9-R11 PolarHBondContact O-N 2.94Å; R11-Y13 PolarHBondContact O-N 3.33Å; R11-D14 CarbonylContact O-C 3.59Å; R11-V17 HydrophobicContact CG-CB 4.18Å; R11-V17 PolarHBondContact NE-O 2.87Å; R11-I18 PolarHBondContact NH2-O 3.38Å
12L88.9Confident84.1Confident148 Ų14870.2 Ų70.278%0.77538%0.375SS*.Hα-helixtrans-61.6-34.5171.8-69.7172000111.5S8 T9 V10S8-L12 PolarHBondContact O-N 3.49Å; T9-L12 WeakPolarHBondContact O-CB 3.4Å; T9-L12 PolarHBondContact O-N 3.01Å; V10-L12 VanDerWaalsContact C-N 3.26Å; V10-L12 PolarHBondContact O-N 3.36Å
13Y87.7Confident85.9Confident133 Ų13368.7 Ų68.752%0.52236%0.36SS..Hα-helixtrans-93.7-36.3-178.7-60.8-78.7000112.8T9 V10 R11 L64 N71T9-Y13 VanDerWaalsContact O-CD2 3.31Å; T9-Y13 WeakPolarHBondContact O-CD2 3.45Å; V10-Y13 PolarHBondContact O-N 2.96Å; V10-Y13 VanDerWaalsContact O-N 3.09Å; R11-Y13 PolarHBondContact O-N 3.33Å; Y13-L64 HydrophobicContact CD2-CD1 3.99Å; Y13-L64 HydrophobicContact CD2-CD2 3.67Å; Y13-L64 HydrophobicContact CD2-CG 4.48Å; Y13-L64 HydrophobicContact CE2-CD1 3.86Å; Y13-L64 HydrophobicContact CE2-CD2 4.05Å; Y13-L64 HydrophobicContact CG-CD2 4.11Å; Y13-N71 WeakPolarHBondContact CD1-ND2 3.34Å; Y13-N71 VanDerWaalsContact CE1-ND2 3.34Å; Y13-N71 WeakPolarHBondContact CE1-ND2 3.28Å
14D87.4Confident87.5Confident21 Ų2164.4 Ų64.411%0.11234%0.339CS..  trans-137101176.9-172-14.4000111.1V10 R11 T16 V17 K60 F62V10-D14 PolarHBondContact O-N 3.21Å; R11-D14 CarbonylContact O-C 3.59Å; D14-T16 PolarHBondContact O-N 3.38Å; D14-T16 VanDerWaalsContact O-N 3.11Å; D14-T16 WeakPolarHBondContact OD1-CA 3.48Å; D14-T16 WeakPolarHBondContact OD1-CB 3.34Å; D14-T16 VanDerWaalsContact OD1-CG2 3.3Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.38Å; D14-T16 PolarHBondContact OD1-N 2.96Å; D14-T16 PolarHBondContact OD1-OG1 3.39Å; D14-T16 PolarHBondContact OD2-OG1 3.48Å; D14-T16 VanDerWaalsContact OD2-OG1 3.11Å; D14-V17 HydrophobicContact CB-CG2 3.92Å; D14-V17 WeakPolarHBondContact O-CB 3.34Å; D14-V17 VanDerWaalsContact O-CG2 3.22Å; D14-V17 WeakPolarHBondContact O-CG2 3.45Å; D14-V17 PolarHBondContact O-N 3.48Å; D14-V17 VanDerWaalsContact O-N 3.12Å; D14-K60 IonicContact OD2-NZ 3.34Å; D14-K60 PolarHBondContact OD2-NZ 3.45Å; D14-F62 HydrophobicContact CB-CE1 3.6Å; D14-F62 HydrophobicContact CB-CZ 3.89Å; D14-F62 VanDerWaalsContact OD2-CZ 3.3Å; D14-F62 WeakPolarHBondContact OD2-CZ 3.42Å
15G88.4Confident89Confident71 Ų7161 Ų6173%0.73233%0.329SS*.THydrogen-bonded Turntrans-65.1-9.417700000114.5V17G15-V17 PolarHBondContact O-N 2.87Å
16T89Confident90.1Very high51 Ų5156.5 Ų56.531%0.31331%0.306SS..THydrogen-bonded Turntrans-76.1-13.4173.573.80000112.5D14 I18 C53 K54D14-T16 PolarHBondContact O-N 3.38Å; D14-T16 VanDerWaalsContact O-N 3.11Å; D14-T16 WeakPolarHBondContact OD1-CA 3.48Å; D14-T16 WeakPolarHBondContact OD1-CB 3.34Å; D14-T16 VanDerWaalsContact OD1-CG2 3.3Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.38Å; D14-T16 PolarHBondContact OD1-N 2.96Å; D14-T16 PolarHBondContact OD1-OG1 3.39Å; D14-T16 PolarHBondContact OD2-OG1 3.48Å; D14-T16 VanDerWaalsContact OD2-OG1 3.11Å; T16-I18 PolarHBondContact O-N 3.43Å; T16-I18 VanDerWaalsContact O-N 3.14Å; T16-C53 CarbonylContact O-C 3.47Å; T16-C53 WeakPolarHBondContact O-CA 3.03Å; T16-K54 PolarHBondContact O-N 3.33Å
17V91.6Very high90.7Very high2 Ų254.5 Ų54.51%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-69113.1-175.5177.70000110.7L7 V10 R11 D14 G15 C51 F62L7-V17 HydrophobicContact CD1-CG1 3.73Å; V10-V17 HydrophobicContact CG1-CB 4.39Å; V10-V17 HydrophobicContact CG1-CG1 4.23Å; V10-V17 HydrophobicContact CG1-CG2 3.72Å; R11-V17 HydrophobicContact CG-CB 4.18Å; R11-V17 PolarHBondContact NE-O 2.87Å; D14-V17 HydrophobicContact CB-CG2 3.92Å; D14-V17 WeakPolarHBondContact O-CB 3.34Å; D14-V17 VanDerWaalsContact O-CG2 3.22Å; D14-V17 WeakPolarHBondContact O-CG2 3.45Å; D14-V17 PolarHBondContact O-N 3.48Å; D14-V17 VanDerWaalsContact O-N 3.12Å; G15-V17 PolarHBondContact O-N 2.87Å; V17-C51 HydrophobicContact CG1-CB 3.97Å; V17-F62 HydrophobicContact CG2-CE1 4.44Å; V17-F62 HydrophobicContact CG2-CE2 3.79Å; V17-F62 HydrophobicContact CG2-CZ 3.66Å
18I89.6Confident91.1Very high81 Ų8153.2 Ų53.242%0.41529%0.289SS..EExtended strand (participates in β ladder)trans-80.9-48.5178.4-60.4173.5000109.4R11 T16 L52 K54R11-I18 PolarHBondContact NH2-O 3.38Å; T16-I18 PolarHBondContact O-N 3.43Å; T16-I18 VanDerWaalsContact O-N 3.14Å; I18-L52 WeakPolarHBondContact CA-O 3.47Å; I18-L52 HydrophobicContact CB-CG 4.31Å; I18-L52 WeakPolarHBondContact CB-O 3.01Å; I18-L52 HydrophobicContact CD1-CG 4.44Å; I18-L52 HydrophobicContact CG2-CD2 4.43Å; I18-L52 PolarHBondContact N-O 2.85Å; I18-K54 HydrophobicContact CD1-CB 3.96Å; I18-K54 HydrophobicContact CG1-CB 4.12Å
19R90.2Very high91.5Very high145 Ų14550 Ų5055%0.54727%0.267SS..EExtended strand (participates in β ladder)trans-154.6137.9-172.2-177170.569.4-140.61.7111.8C51 L52R19-C51 CarbonylContact O-C 3.55Å; R19-C51 WeakPolarHBondContact O-CA 3.46Å; R19-L52 HydrophobicContact CB-CB 4.43Å; R19-L52 PolarHBondContact N-O 3.29Å; R19-L52 PolarHBondContact O-N 3.42Å
20V92.7Very high91.8Very high2 Ų250.5 Ų50.51%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-77.5131.4165.3-178.90000108M3 N6 L7 H22 F49M3-V20 WeakPolarHBondContact CE-O 3.44Å; M3-V20 HydrophobicContact CG-CB 4.5Å; N6-V20 HydrophobicContact CB-CG2 4.48Å; L7-V20 HydrophobicContact CB-CG2 4.14Å; L7-V20 HydrophobicContact CD1-CG2 4.13Å; V20-H22 WeakPolarHBondContact CG1-O 3.4Å; V20-F49 HydrophobicContact CG1-CD1 4.09Å
21I92.5Very high91.9Very high47 Ų4754.3 Ų54.324%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-97.4-43178.9-56.7173000109.8M3 V50 L52 Y59 V118M3-I21 VanDerWaalsContact CE-O 3.31Å; M3-I21 WeakPolarHBondContact CE-O 3.43Å; I21-V50 WeakPolarHBondContact CA-O 3.44Å; I21-V50 HydrophobicContact CB-CG1 4.44Å; I21-V50 WeakPolarHBondContact CB-O 3.38Å; I21-V50 HydrophobicContact CD1-CG1 4.48Å; I21-V50 PolarHBondContact N-O 3.09Å; I21-L52 HydrophobicContact CD1-CB 4.26Å; I21-L52 HydrophobicContact CG1-CB 4.48Å; I21-Y59 HydrophobicContact CD1-CD1 3.48Å; I21-Y59 VanDerWaalsContact CD1-CD1 3.48Å; I21-Y59 HydrophobicContact CD1-CE1 3.48Å; I21-Y59 VanDerWaalsContact CD1-CE1 3.48Å; I21-V118 HydrophobicContact CD1-CG2 4.13Å
22H93.1Very high92Very high52 Ų5251 Ų5124%0.24127%0.27CS..EExtended strand (participates in β ladder)trans-150.2156.8179.1-155.575.4000110V20 V50 K110 C114V20-H22 WeakPolarHBondContact CG1-O 3.4Å; H22-V50 HydrophobicContact CB-CB 4.24Å; H22-V50 HydrophobicContact CB-CG2 4.39Å; H22-V50 PolarHBondContact N-O 2.84Å; H22-V50 PolarHBondContact O-N 3.3Å; H22-K110 WeakPolarHBondContact NE2-CB 3.03Å; H22-C114 HydrophobicContact CB-CB 4.2Å
23S93.7Very high91.9Very high42 Ų4246.6 Ų46.629%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-138.8150.3176.955.30000110.4L48S23-L48 CarbonylContact C-O 3.51Å; S23-L48 VanDerWaalsContact CA-O 3.23Å; S23-L48 WeakPolarHBondContact CA-O 3.27Å
24A93.5Very high91.8Very high2 Ų245 Ų452%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-127.4145168.200000109.2V27 P47 L48 F102 E107 V111A24-V27 HydrophobicContact CB-CG1 4.33Å; A24-P47 WeakPolarHBondContact O-CA 3.31Å; A24-L48 HydrophobicContact CB-CB 4.24Å; A24-L48 PolarHBondContact N-O 3.3Å; A24-L48 PolarHBondContact O-N 3.26Å; A24-F102 HydrophobicContact CB-CD1 4.07Å; A24-F102 HydrophobicContact CB-CE1 3.76Å; A24-E107 WeakPolarHBondContact CA-OE2 3.19Å; A24-E107 HydrophobicContact CB-CB 4.05Å; A24-E107 WeakPolarHBondContact CB-OE2 3.28Å; A24-V111 HydrophobicContact CB-CG2 4.03Å
25G92.3Very high91.8Very high36 Ų3654.7 Ų54.737%0.37128%0.284SS..EExtended strand (participates in β ladder)trans-71.4-45.7-16900000114.1P47 R66 E107G25-P47 WeakPolarHBondContact O-CA 3.39Å; G25-R66 PolarHBondContact O-NH2 2.92Å; G25-E107 PolarHBondContact N-OE1 3.21Å; G25-E107 PolarHBondContact N-OE2 2.79Å
26H94.2Very high91.8Very high39 Ų3953.9 Ų53.918%0.18127%0.267CS..EExtended strand (participates in β ladder)trans-148.7122.1-176.6-169.5-133.9000112.6E45 G46 F103H26-E45 IonicContact CE1-OE1 2.94Å; H26-E45 PolarHBondContact CE1-OE1 3.34Å; H26-E45 WeakPolarHBondContact NE2-CG 3.18Å; H26-E45 IonicContact NE2-OE1 2.76Å; H26-E45 PolarHBondContact NE2-OE1 2.96Å; H26-G46 WeakPolarHBondContact CA-O 3.28Å; H26-F103 HydrophobicContact CB-CB 3.87Å; H26-F103 PolarHBondContact O-N 3.32Å
27V95.7Very high91.8Very high0 Ų057.2 Ų57.20%028%0.282CS..EExtended strand (participates in β ladder)trans-133.3155.8177.1-53.20000111.1A24 I29 E45 G46 L48 A63 I100 W101 F102A24-V27 HydrophobicContact CB-CG1 4.33Å; V27-I29 HydrophobicContact CG2-CD1 4.18Å; V27-E45 CarbonylContact O-C 3.52Å; V27-E45 VanDerWaalsContact O-CA 3.31Å; V27-E45 WeakPolarHBondContact O-CA 3.19Å; V27-G46 WeakPolarHBondContact CG2-O 3.49Å; V27-G46 PolarHBondContact N-O 3.18Å; V27-G46 PolarHBondContact O-N 3.43Å; V27-L48 HydrophobicContact CB-CB 4.47Å; V27-L48 HydrophobicContact CG1-CB 3.81Å; V27-L48 HydrophobicContact CG1-CD2 4.27Å; V27-L48 HydrophobicContact CG2-CB 3.78Å; V27-L48 HydrophobicContact CG2-CD1 4.31Å; V27-L48 HydrophobicContact CG2-CG 4.48Å; V27-A63 HydrophobicContact CG2-CB 4.18Å; V27-I100 HydrophobicContact CB-CG2 3.74Å; V27-I100 HydrophobicContact CG1-CG2 4.09Å; V27-I100 HydrophobicContact CG2-CG2 4.13Å; V27-W101 CarbonylContact C-O 3.55Å; V27-W101 WeakPolarHBondContact CA-O 3.43Å; V27-W101 VanDerWaalsContact CB-O 3.28Å; V27-W101 WeakPolarHBondContact CB-O 3.33Å; V27-F102 HydrophobicContact CG1-CD1 3.5Å; V27-F102 VanDerWaalsContact CG1-CD1 3.5Å; V27-F102 HydrophobicContact CG1-CE1 3.49Å; V27-F102 VanDerWaalsContact CG1-CE1 3.49Å; V27-F102 HydrophobicContact CG1-CG 4.05Å; V27-F102 HydrophobicContact CG1-CZ 4.05Å
28A95.5Very high91.8Very high3 Ų362.8 Ų62.83%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-123.4135169.100000110.1Y30 E45 W101A28-Y30 HydrophobicContact CB-CE2 4.11Å; A28-E45 HydrophobicContact CB-CG 4.46Å; A28-W101 HydrophobicContact CB-CB 4.43Å; A28-W101 HydrophobicContact CB-CE3 4.27Å; A28-W101 PolarHBondContact N-O 3.23Å; A28-W101 PolarHBondContact O-N 2.83Å
29I95.5Very high91.9Very high0 Ų064.9 Ų64.90%031%0.311CS..EExtended strand (participates in β ladder)trans-99133.2-176.7-48.7-62.8000110.5V27 A42 V44 A63 F72 I100V27-I29 HydrophobicContact CG2-CD1 4.18Å; I29-A42 HydrophobicContact CB-CB 4.13Å; I29-A42 HydrophobicContact CG2-CB 4.01Å; I29-A42 WeakPolarHBondContact O-CB 3.25Å; I29-A42 PolarHBondContact O-N 3.39Å; I29-V44 HydrophobicContact CB-CB 4.22Å; I29-V44 HydrophobicContact CG1-CB 4.03Å; I29-V44 HydrophobicContact CG1-CG1 3.98Å; I29-V44 PolarHBondContact N-O 2.92Å; I29-A63 HydrophobicContact CD1-CB 4.09Å; I29-A63 HydrophobicContact CG1-CB 4.14Å; I29-F72 HydrophobicContact CD1-CD1 4.18Å; I29-F72 HydrophobicContact CD1-CE1 4.45Å; I29-F72 HydrophobicContact CG1-CB 4.35Å; I29-F72 HydrophobicContact CG1-CD1 4.26Å; I29-F72 HydrophobicContact CG1-CG 4.21Å; I29-F72 HydrophobicContact CG2-CD2 4.04Å; I29-F72 HydrophobicContact CG2-CE2 4.01Å; I29-F72 HydrophobicContact CG2-CG 4.32Å; I29-F72 HydrophobicContact CG2-CZ 4.26Å; I29-I100 HydrophobicContact CD1-CB 4.24Å; I29-I100 HydrophobicContact CD1-CD1 4.04Å; I29-I100 HydrophobicContact CD1-CG1 3.71Å; I29-I100 HydrophobicContact CD1-CG2 3.87Å
30Y95.3Very high92Very high67 Ų6765 Ų6526%0.26332%0.315SS..EExtended strand (participates in β ladder)trans-121.9145.1172.3-62.5-96.6000109.3A28 K40 K41 F88 G98 A99 W101A28-Y30 HydrophobicContact CB-CE2 4.11Å; Y30-K40 WeakPolarHBondContact CA-O 3.28Å; Y30-K41 HydrophobicContact CD1-CB 4.15Å; Y30-K41 HydrophobicContact CD1-CG 4.45Å; Y30-K41 HydrophobicContact CE1-CB 3.98Å; Y30-K41 HydrophobicContact CE1-CG 4.08Å; Y30-F88 HydrophobicContact CD2-CE1 4.38Å; Y30-F88 HydrophobicContact CE2-CE1 4.22Å; Y30-G98 CarbonylContact O-C 3.6Å; Y30-G98 VanDerWaalsContact O-CA 3.24Å; Y30-G98 WeakPolarHBondContact O-CA 3.49Å; Y30-A99 PolarHBondContact N-O 3.43Å; Y30-A99 PolarHBondContact O-N 3.38Å; Y30-W101 HydrophobicContact CE2-CB 3.98Å
31E93.1Very high92Very high81 Ų8169.6 Ų69.638%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-120.2143.1177.2-72176.5175.800108.8K40 A42E31-K40 PolarHBondContact N-O 2.88Å; E31-K40 PolarHBondContact O-N 3.1Å; E31-A42 HydrophobicContact CG-CB 4.02Å
32F91.3Very high91.9Very high49 Ų4969 Ų6922%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-88.9115.3173.4-171.7-102.4000108.8N34 L37 W39 V97F32-N34 PolarHBondContact O-N 3.02Å; F32-L37 HydrophobicContact CE1-CD2 4.14Å; F32-L37 HydrophobicContact CZ-CB 4.21Å; F32-L37 HydrophobicContact CZ-CD2 4.11Å; F32-W39 HydrophobicContact CB-CD2 4.46Å; F32-W39 HydrophobicContact CB-CE3 4Å; F32-W39 HydrophobicContact CB-CH2 4.1Å; F32-W39 HydrophobicContact CB-CZ3 3.81Å; F32-W39 AromaticContact CD2-CD2 3.89Å; F32-W39 HydrophobicContact CD2-CD2 3.89Å; F32-W39 AromaticContact CD2-CE2 3.78Å; F32-W39 HydrophobicContact CD2-CE3 4.28Å; F32-W39 HydrophobicContact CD2-CG 4.27Å; F32-W39 HydrophobicContact CD2-CZ2 4.12Å; F32-V97 HydrophobicContact CB-CB 4.22Å; F32-V97 HydrophobicContact CB-CG1 4.42Å; F32-V97 WeakPolarHBondContact CB-O 3.38Å; F32-V97 PolarHBondContact N-O 3.29Å
33D87.8Confident91.8Very high55 Ų5568.4 Ų68.429%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-79.6114172.7177.412.2000109.3Y35 S36 L37 Q38D33-Y35 PolarHBondContact O-N 3.31Å; D33-Y35 WeakPolarHBondContact OD1-CD2 3.39Å; D33-Y35 PolarHBondContact OD1-N 3.37Å; D33-S36 WeakPolarHBondContact CB-OG 3.25Å; D33-S36 WeakPolarHBondContact OD2-CB 3.34Å; D33-S36 PolarHBondContact OD2-N 3.45Å; D33-S36 PolarHBondContact OD2-OG 3.49Å; D33-L37 VanDerWaalsContact O-CA 3.23Å; D33-L37 WeakPolarHBondContact O-CA 3.46Å; D33-L37 PolarHBondContact O-N 2.94Å; D33-Q38 PolarHBondContact N-O 3.28Å; D33-Q38 PolarHBondContact O-N 2.86Å
34N85.4Confident91.9Very high100 Ų10067 Ų6754%0.53533%0.334SS..THydrogen-bonded Turntrans-69.3-21.5-179.4-66-57.3000112.9F32F32-N34 PolarHBondContact O-N 3.02Å
35Y88.1Confident91.9Very high223 Ų22369.1 Ų69.188%0.87534%0.344SS*.THydrogen-bonded Turntrans-81.7-48.1-178.9-62-74.5000111.5D33 L37D33-Y35 PolarHBondContact O-N 3.31Å; D33-Y35 WeakPolarHBondContact OD1-CD2 3.39Å; D33-Y35 PolarHBondContact OD1-N 3.37Å; Y35-L37 VanDerWaalsContact C-N 3.34Å
36S88.3Confident92Very high54 Ų5467.4 Ų67.438%0.37833%0.327SS..THydrogen-bonded Turntrans-83.4-9.7176.260.40000113.6D33 Q38D33-S36 WeakPolarHBondContact CB-OG 3.25Å; D33-S36 WeakPolarHBondContact OD2-CB 3.34Å; D33-S36 PolarHBondContact OD2-N 3.45Å; D33-S36 PolarHBondContact OD2-OG 3.49Å; S36-Q38 WeakPolarHBondContact O-CG 3.46Å; S36-Q38 PolarHBondContact O-N 2.96Å
37L88.7Confident92Very high122 Ų12266.8 Ų66.864%0.63933%0.326SS*.THydrogen-bonded Turntrans5431.7-173.3-61.8172.9000112.9F32 D33 Y35F32-L37 HydrophobicContact CE1-CD2 4.14Å; F32-L37 HydrophobicContact CZ-CB 4.21Å; F32-L37 HydrophobicContact CZ-CD2 4.11Å; D33-L37 VanDerWaalsContact O-CA 3.23Å; D33-L37 WeakPolarHBondContact O-CA 3.46Å; D33-L37 PolarHBondContact O-N 2.94Å; Y35-L37 VanDerWaalsContact C-N 3.34Å
38Q90.7Very high91.9Very high119 Ų11966.9 Ų66.956%0.55633%0.326SS*.EExtended strand (participates in β ladder)trans-124.1153.7-176-73.1176.99.900111.5D33 S36D33-Q38 PolarHBondContact N-O 3.28Å; D33-Q38 PolarHBondContact O-N 2.86Å; S36-Q38 WeakPolarHBondContact O-CG 3.46Å; S36-Q38 PolarHBondContact O-N 2.96Å
39W93.2Very high91.9Very high125 Ų12567.1 Ų67.147%0.47333%0.327SS..EExtended strand (participates in β ladder)trans-78.8125.7170.5-69.3100.9000109.7F32 L90 V97 A99F32-W39 HydrophobicContact CB-CD2 4.46Å; F32-W39 HydrophobicContact CB-CE3 4Å; F32-W39 HydrophobicContact CB-CH2 4.1Å; F32-W39 HydrophobicContact CB-CZ3 3.81Å; F32-W39 AromaticContact CD2-CD2 3.89Å; F32-W39 HydrophobicContact CD2-CD2 3.89Å; F32-W39 AromaticContact CD2-CE2 3.78Å; F32-W39 HydrophobicContact CD2-CE3 4.28Å; F32-W39 HydrophobicContact CD2-CG 4.27Å; F32-W39 HydrophobicContact CD2-CZ2 4.12Å; W39-L90 HydrophobicContact CH2-CD2 4.01Å; W39-L90 HydrophobicContact CZ2-CD2 4.26Å; W39-V97 HydrophobicContact CH2-CG1 4.26Å; W39-A99 HydrophobicContact CE3-CB 4.25Å; W39-A99 HydrophobicContact CH2-CB 3.99Å; W39-A99 HydrophobicContact CZ3-CB 3.66Å
40K92.4Very high91.9Very high147 Ų14767.2 Ų67.264%0.63933%0.327SS*.EExtended strand (participates in β ladder)trans-113.6137.6175-176.2179.9175-176.80109.6Y30 E31 A42Y30-K40 WeakPolarHBondContact CA-O 3.28Å; E31-K40 PolarHBondContact N-O 2.88Å; E31-K40 PolarHBondContact O-N 3.1Å; K40-A42 PolarHBondContact O-N 3.35Å
41K91.9Very high91.8Very high99 Ų9964 Ų6443%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-66.9125169.8-167.4175.8-178.1-179.90108.2Y30 G43 E45Y30-K41 HydrophobicContact CD1-CB 4.15Å; Y30-K41 HydrophobicContact CD1-CG 4.45Å; Y30-K41 HydrophobicContact CE1-CB 3.98Å; Y30-K41 HydrophobicContact CE1-CG 4.08Å; K41-G43 PolarHBondContact O-N 3.22Å; K41-E45 IonicContact NZ-OE2 2.74Å; K41-E45 PolarHBondContact NZ-OE2 3.09Å
42A90.9Very high91.7Very high34 Ų3461.4 Ų61.428%0.28130%0.304SS..EExtended strand (participates in β ladder)trans-73.5-7.2-178.600000113I29 E31 K40 V44I29-A42 HydrophobicContact CB-CB 4.13Å; I29-A42 HydrophobicContact CG2-CB 4.01Å; I29-A42 WeakPolarHBondContact O-CB 3.25Å; I29-A42 PolarHBondContact O-N 3.39Å; E31-A42 HydrophobicContact CG-CB 4.02Å; K40-A42 PolarHBondContact O-N 3.35Å; A42-V44 VanDerWaalsContact C-N 3.25Å; A42-V44 PolarHBondContact O-N 3Å
43G91.2Very high91.6Very high39 Ų3959.2 Ų59.240%0.40229%0.294SS..EExtended strand (participates in β ladder)trans74.514-176.200000113.9K41 N65K41-G43 PolarHBondContact O-N 3.22Å; G43-N65 PolarHBondContact O-ND2 2.74Å
44V94Very high91.5Very high12 Ų1264.3 Ų64.37%0.07331%0.314CS..EExtended strand (participates in β ladder)trans-110.4119.9177.6178.50000110.2I29 A42 A63 N65 F72I29-V44 HydrophobicContact CB-CB 4.22Å; I29-V44 HydrophobicContact CG1-CB 4.03Å; I29-V44 HydrophobicContact CG1-CG1 3.98Å; I29-V44 PolarHBondContact N-O 2.92Å; A42-V44 VanDerWaalsContact C-N 3.25Å; A42-V44 PolarHBondContact O-N 3Å; V44-A63 HydrophobicContact CG1-CB 4.04Å; V44-N65 HydrophobicContact CG1-CB 4.01Å; V44-F72 HydrophobicContact CB-CB 4.25Å; V44-F72 HydrophobicContact CG1-CB 3.75Å; V44-F72 HydrophobicContact CG2-CB 4.17Å
45E94Very high91.3Very high48 Ų4862.1 Ų62.122%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-143.5127.4-178.1-177.9167.3166.800110.2H26 V27 A28 K41 N65 R66 L67H26-E45 IonicContact CE1-OE1 2.94Å; H26-E45 PolarHBondContact CE1-OE1 3.34Å; H26-E45 WeakPolarHBondContact NE2-CG 3.18Å; H26-E45 IonicContact NE2-OE1 2.76Å; H26-E45 PolarHBondContact NE2-OE1 2.96Å; V27-E45 CarbonylContact O-C 3.52Å; V27-E45 VanDerWaalsContact O-CA 3.31Å; V27-E45 WeakPolarHBondContact O-CA 3.19Å; A28-E45 HydrophobicContact CB-CG 4.46Å; K41-E45 IonicContact NZ-OE2 2.74Å; K41-E45 PolarHBondContact NZ-OE2 3.09Å; E45-N65 PolarHBondContact N-OD1 3.28Å; E45-N65 PolarHBondContact O-OD1 2.82Å; E45-R66 PolarHBondContact O-N 3.3Å; E45-L67 HydrophobicContact CB-CD1 4.38Å
46G94.3Very high90.7Very high0 Ų059.2 Ų59.20%030%0.302CS..EExtended strand (participates in β ladder)trans156.9-163.8-175.800000114.6H26 V27 L64H26-G46 WeakPolarHBondContact CA-O 3.28Å; V27-G46 WeakPolarHBondContact CG2-O 3.49Å; V27-G46 PolarHBondContact N-O 3.18Å; V27-G46 PolarHBondContact O-N 3.43Å; G46-L64 VanDerWaalsContact CA-O 3.31Å; G46-L64 WeakPolarHBondContact CA-O 3.18Å
47P94.4Very high90.2Very high26 Ų2658.5 Ų58.517%0.16930%0.297CS..EExtended strand (participates in β ladder)trans-72145-178.930.7-36.4000112.1A24 G25 F49 A63 L64A24-P47 WeakPolarHBondContact O-CA 3.31Å; G25-P47 WeakPolarHBondContact O-CA 3.39Å; P47-F49 HydrophobicContact CB-CE2 3.77Å; P47-F49 HydrophobicContact CB-CZ 3.83Å; P47-F49 HydrophobicContact CG-CE2 3.82Å; P47-F49 HydrophobicContact CG-CZ 4.13Å; P47-A63 WeakPolarHBondContact O-CA 3.3Å; P47-L64 WeakPolarHBondContact CD-O 3.45Å; P47-L64 HydrophobicContact CG-CB 4.18Å; P47-L64 PolarHBondContact O-N 2.82Å
48L95Very high90Very high1 Ų157.9 Ų57.91%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-108.9138.2177-173.775000110.6S23 A24 V27 L61 F62 A63 F102 V111S23-L48 CarbonylContact C-O 3.51Å; S23-L48 VanDerWaalsContact CA-O 3.23Å; S23-L48 WeakPolarHBondContact CA-O 3.27Å; A24-L48 HydrophobicContact CB-CB 4.24Å; A24-L48 PolarHBondContact N-O 3.3Å; A24-L48 PolarHBondContact O-N 3.26Å; V27-L48 HydrophobicContact CB-CB 4.47Å; V27-L48 HydrophobicContact CG1-CB 3.81Å; V27-L48 HydrophobicContact CG1-CD2 4.27Å; V27-L48 HydrophobicContact CG2-CB 3.78Å; V27-L48 HydrophobicContact CG2-CD1 4.31Å; V27-L48 HydrophobicContact CG2-CG 4.48Å; L48-L61 HydrophobicContact CD1-CB 4.41Å; L48-L61 HydrophobicContact CD1-CD2 4.31Å; L48-L61 HydrophobicContact CD2-CD2 4.42Å; L48-F62 CarbonylContact C-O 3.57Å; L48-F62 VanDerWaalsContact CA-O 3.32Å; L48-F62 WeakPolarHBondContact CA-O 3.3Å; L48-A63 HydrophobicContact CD1-CB 3.79Å; L48-F102 HydrophobicContact CD2-CE1 3.96Å; L48-F102 HydrophobicContact CD2-CZ 3.75Å; L48-V111 HydrophobicContact CD2-CG1 4.02Å
49F94.9Very high90.1Very high9 Ų953.4 Ų53.44%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-129.1131176.4-55-82.9000110.7N6 V10 V20 P47 L61 F62 L64N6-F49 HydrophobicContact CB-CD1 4.22Å; N6-F49 HydrophobicContact CB-CE1 3.66Å; V10-F49 HydrophobicContact CG2-CB 3.98Å; V10-F49 HydrophobicContact CG2-CD1 4.05Å; V10-F49 HydrophobicContact CG2-CD2 3.46Å; V10-F49 VanDerWaalsContact CG2-CD2 3.46Å; V10-F49 HydrophobicContact CG2-CE1 4.44Å; V10-F49 HydrophobicContact CG2-CE2 3.89Å; V10-F49 HydrophobicContact CG2-CG 3.53Å; V10-F49 HydrophobicContact CG2-CZ 4.35Å; V20-F49 HydrophobicContact CG1-CD1 4.09Å; P47-F49 HydrophobicContact CB-CE2 3.77Å; P47-F49 HydrophobicContact CB-CZ 3.83Å; P47-F49 HydrophobicContact CG-CE2 3.82Å; P47-F49 HydrophobicContact CG-CZ 4.13Å; F49-L61 CarbonylContact O-C 3.5Å; F49-L61 WeakPolarHBondContact O-CA 3.43Å; F49-F62 HydrophobicContact CB-CB 4.37Å; F49-F62 PolarHBondContact N-O 3.14Å; F49-F62 PolarHBondContact O-N 3.06Å; F49-L64 HydrophobicContact CD2-CD1 4.31Å; F49-L64 HydrophobicContact CD2-CG 4.27Å; F49-L64 HydrophobicContact CE2-CD1 3.76Å; F49-L64 HydrophobicContact CE2-CG 4.04Å
50V94.4Very high90.1Very high1 Ų149.5 Ų49.51%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-96118.1166.9-1770000107I21 H22 L61 I76 V111 I115I21-V50 WeakPolarHBondContact CA-O 3.44Å; I21-V50 HydrophobicContact CB-CG1 4.44Å; I21-V50 WeakPolarHBondContact CB-O 3.38Å; I21-V50 HydrophobicContact CD1-CG1 4.48Å; I21-V50 PolarHBondContact N-O 3.09Å; H22-V50 HydrophobicContact CB-CB 4.24Å; H22-V50 HydrophobicContact CB-CG2 4.39Å; H22-V50 PolarHBondContact N-O 2.84Å; H22-V50 PolarHBondContact O-N 3.3Å; V50-L61 HydrophobicContact CG2-CD1 4.49Å; V50-L61 HydrophobicContact CG2-CG 4.37Å; V50-I76 HydrophobicContact CG1-CD1 4.24Å; V50-V111 HydrophobicContact CG2-CG1 4.26Å; V50-I115 HydrophobicContact CG2-CG1 4.4Å
51C93Very high90.2Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-126147.8-169.1-70.60000112.3V17 R19 Y59 K60 F62V17-C51 HydrophobicContact CG1-CB 3.97Å; R19-C51 CarbonylContact O-C 3.55Å; R19-C51 WeakPolarHBondContact O-CA 3.46Å; C51-Y59 VanDerWaalsContact O-CA 3.31Å; C51-Y59 WeakPolarHBondContact O-CA 3.42Å; C51-K60 PolarHBondContact N-O 2.95Å; C51-K60 PolarHBondContact O-N 3.26Å; C51-F62 HydrophobicContact CB-CD2 3.81Å; C51-F62 HydrophobicContact CB-CE2 3.68Å
52L91.6Very high90.3Very high27 Ų2737.9 Ų37.914%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-89.1121.2162.8174.663.5000108.2I18 R19 I21 K58 Y59I18-L52 WeakPolarHBondContact CA-O 3.47Å; I18-L52 HydrophobicContact CB-CG 4.31Å; I18-L52 WeakPolarHBondContact CB-O 3.01Å; I18-L52 HydrophobicContact CD1-CG 4.44Å; I18-L52 HydrophobicContact CG2-CD2 4.43Å; I18-L52 PolarHBondContact N-O 2.85Å; R19-L52 HydrophobicContact CB-CB 4.43Å; R19-L52 PolarHBondContact N-O 3.29Å; R19-L52 PolarHBondContact O-N 3.42Å; I21-L52 HydrophobicContact CD1-CB 4.26Å; I21-L52 HydrophobicContact CG1-CB 4.48Å; L52-K58 CarbonylContact C-O 3.49Å; L52-K58 VanDerWaalsContact CA-O 3.26Å; L52-K58 WeakPolarHBondContact CA-O 3.37Å; L52-K58 HydrophobicContact CD1-CB 4.15Å; L52-K58 WeakPolarHBondContact CD1-O 3.34Å; L52-Y59 HydrophobicContact CD1-CD1 4.34Å; L52-Y59 HydrophobicContact CD1-CE1 3.99Å
53C90.4Very high90.5Very high3 Ų336.3 Ų36.32%0.0219%0.19CC..EExtended strand (participates in β ladder)trans-111.4152179.5-64.70000111.3T16 K58 K60T16-C53 CarbonylContact O-C 3.47Å; T16-C53 WeakPolarHBondContact O-CA 3.03Å; C53-K58 PolarHBondContact N-O 2.92Å; C53-K60 HydrophobicContact CB-CD 4.4Å; C53-K60 HydrophobicContact CB-CG 4.48Å
54K85.5Confident90.6Very high161 Ų16134.9 Ų34.970%0.717%0.174SC*.SBendtrans-75138.7166-169.7179.6178.3-175.80108.5T16 I18T16-K54 PolarHBondContact O-N 3.33Å; I18-K54 HydrophobicContact CD1-CB 3.96Å; I18-K54 HydrophobicContact CG1-CB 4.12Å
55G80.8Confident90.6Very high55 Ų5535.1 Ų35.157%0.56717%0.174SC*.SBendtrans120.1-162.2178.700000112.5
56R74.7Confident90.4Very high161 Ų16140.7 Ų40.761%0.60819%0.193SC*.SBendtrans-70.3-51.5-173.6-48-178102.990.834111.8K58 D296 E300R56-K58 PolarHBondContact O-N 2.83Å; R56-K58 VanDerWaalsContact O-N 3.16Å; R56-D296 IonicContact CZ-OD1 2.9Å; R56-D296 IonicContact CZ-OD2 2.87Å; R56-D296 IonicContact NE-OD2 3.04Å; R56-D296 PolarHBondContact NE-OD2 3.27Å; R56-D296 VanDerWaalsContact NH1-CB 3.34Å; R56-D296 IonicContact NH1-OD2 2.84Å; R56-D296 IonicContact NH2-OD1 3.29Å; R56-D296 PolarHBondContact NH2-OD1 3.29Å; R56-D296 IonicContact NH2-OD2 3.23Å; R56-D296 PolarHBondContact NH2-OD2 3.38Å; R56-E300 IonicContact NH1-OE1 3.54Å
57C78.8Confident89.9Confident40 Ų4046.9 Ų46.927%0.2723%0.225SC..SBendtrans-82.890.6174.8-60.10000108.8Y59 A75 D77C57-Y59 PolarHBondContact O-N 3.16Å; C57-A75 HydrophobicContact CB-CB 4.02Å; C57-D77 PolarHBondContact SG-OD1 3.39Å
58K84.5Confident89.4Confident109 Ų10951.2 Ų51.247%0.47424%0.243SC..  trans-61.2-25.4-177.1-68.1-177-179.3178.40112.9L52 C53 R56L52-K58 CarbonylContact C-O 3.49Å; L52-K58 VanDerWaalsContact CA-O 3.26Å; L52-K58 WeakPolarHBondContact CA-O 3.37Å; L52-K58 HydrophobicContact CD1-CB 4.15Å; L52-K58 WeakPolarHBondContact CD1-O 3.34Å; C53-K58 PolarHBondContact N-O 2.92Å; R56-K58 PolarHBondContact O-N 2.83Å; R56-K58 VanDerWaalsContact O-N 3.16Å
59Y91.8Very high88.8Confident24 Ų2456.1 Ų56.19%0.09428%0.275CS..EExtended strand (participates in β ladder)trans-127.4133.9-177.3-58.6-86.1000110.8I21 C51 L52 C57 I76 V118 L122I21-Y59 HydrophobicContact CD1-CD1 3.48Å; I21-Y59 VanDerWaalsContact CD1-CD1 3.48Å; I21-Y59 HydrophobicContact CD1-CE1 3.48Å; I21-Y59 VanDerWaalsContact CD1-CE1 3.48Å; C51-Y59 VanDerWaalsContact O-CA 3.31Å; C51-Y59 WeakPolarHBondContact O-CA 3.42Å; L52-Y59 HydrophobicContact CD1-CD1 4.34Å; L52-Y59 HydrophobicContact CD1-CE1 3.99Å; C57-Y59 PolarHBondContact O-N 3.16Å; Y59-I76 PolarHBondContact O-N 3.16Å; Y59-V118 HydrophobicContact CD1-CB 4.43Å; Y59-V118 HydrophobicContact CD1-CG1 3.4Å; Y59-V118 HydrophobicContact CD1-CG2 4.12Å; Y59-V118 HydrophobicContact CD2-CG1 3.48Å; Y59-V118 VanDerWaalsContact CD2-CG1 3.48Å; Y59-V118 HydrophobicContact CE1-CG1 3.75Å; Y59-V118 HydrophobicContact CE1-CG2 4.11Å; Y59-V118 HydrophobicContact CE2-CG1 3.85Å; Y59-V118 HydrophobicContact CG-CG1 3.23Å; Y59-L122 HydrophobicContact CD2-CD1 3.89Å; Y59-L122 HydrophobicContact CD2-CD2 3.67Å; Y59-L122 HydrophobicContact CD2-CG 3.75Å; Y59-L122 HydrophobicContact CE2-CD1 4.46Å; Y59-L122 HydrophobicContact CE2-CD2 3.68Å; Y59-L122 HydrophobicContact CE2-CG 3.83Å
60K93.4Very high88.6Confident44 Ų4458.2 Ų58.219%0.19129%0.294CS..EExtended strand (participates in β ladder)trans-138.7149.9178.4-59.8-175.3-169.51720110.5D14 C51 C53 F62 I73 L74D14-K60 IonicContact OD2-NZ 3.34Å; D14-K60 PolarHBondContact OD2-NZ 3.45Å; C51-K60 PolarHBondContact N-O 2.95Å; C51-K60 PolarHBondContact O-N 3.26Å; C53-K60 HydrophobicContact CB-CD 4.4Å; C53-K60 HydrophobicContact CB-CG 4.48Å; K60-F62 HydrophobicContact CB-CD2 4.25Å; K60-F62 HydrophobicContact CB-CE2 3.61Å; K60-F62 HydrophobicContact CB-CZ 4.05Å; K60-F62 HydrophobicContact CD-CE2 4.25Å; K60-F62 HydrophobicContact CD-CZ 3.85Å; K60-I73 HydrophobicContact CD-CG2 4.04Å; K60-L74 CarbonylContact C-O 3.59Å; K60-L74 VanDerWaalsContact CA-O 3.28Å; K60-L74 WeakPolarHBondContact CA-O 3.42Å
61L94.2Very high88.5Confident0 Ų060 Ų600%030%0.304CS..EExtended strand (participates in β ladder)trans-94137.2163.7-86.370.3000108.5L48 F49 V50 I73 L74 I76 I100 I115L48-L61 HydrophobicContact CD1-CB 4.41Å; L48-L61 HydrophobicContact CD1-CD2 4.31Å; L48-L61 HydrophobicContact CD2-CD2 4.42Å; F49-L61 CarbonylContact O-C 3.5Å; F49-L61 WeakPolarHBondContact O-CA 3.43Å; V50-L61 HydrophobicContact CG2-CD1 4.49Å; V50-L61 HydrophobicContact CG2-CG 4.37Å; L61-I73 WeakPolarHBondContact O-CA 3.4Å; L61-L74 HydrophobicContact CB-CB 4.24Å; L61-L74 PolarHBondContact N-O 3.23Å; L61-L74 PolarHBondContact O-N 3.12Å; L61-I76 HydrophobicContact CD1-CD1 3.29Å; L61-I76 HydrophobicContact CD1-CG1 3.35Å; L61-I100 HydrophobicContact CD2-CD1 4.05Å; L61-I115 HydrophobicContact CD1-CD1 4.2Å; L61-I115 HydrophobicContact CD1-CG1 4.32Å; L61-I115 HydrophobicContact CD2-CD1 4.05Å
62F94.3Very high88.5Confident2 Ų261 Ų611%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-123.1118.1172.4-65.8-93.6000108.2V10 D14 V17 L48 F49 C51 K60 F72 I73V10-F62 HydrophobicContact CG1-CB 4.34Å; V10-F62 HydrophobicContact CG1-CD1 4.19Å; V10-F62 HydrophobicContact CG1-CD2 4.03Å; V10-F62 HydrophobicContact CG1-CE2 4.36Å; V10-F62 HydrophobicContact CG1-CG 3.93Å; D14-F62 HydrophobicContact CB-CE1 3.6Å; D14-F62 HydrophobicContact CB-CZ 3.89Å; D14-F62 VanDerWaalsContact OD2-CZ 3.3Å; D14-F62 WeakPolarHBondContact OD2-CZ 3.42Å; V17-F62 HydrophobicContact CG2-CE1 4.44Å; V17-F62 HydrophobicContact CG2-CE2 3.79Å; V17-F62 HydrophobicContact CG2-CZ 3.66Å; L48-F62 CarbonylContact C-O 3.57Å; L48-F62 VanDerWaalsContact CA-O 3.32Å; L48-F62 WeakPolarHBondContact CA-O 3.3Å; F49-F62 HydrophobicContact CB-CB 4.37Å; F49-F62 PolarHBondContact N-O 3.14Å; F49-F62 PolarHBondContact O-N 3.06Å; C51-F62 HydrophobicContact CB-CD2 3.81Å; C51-F62 HydrophobicContact CB-CE2 3.68Å; K60-F62 HydrophobicContact CB-CD2 4.25Å; K60-F62 HydrophobicContact CB-CE2 3.61Å; K60-F62 HydrophobicContact CB-CZ 4.05Å; K60-F62 HydrophobicContact CD-CE2 4.25Å; K60-F62 HydrophobicContact CD-CZ 3.85Å; F62-F72 CarbonylContact C-O 3.48Å; F62-F72 WeakPolarHBondContact CA-O 3.26Å; F62-I73 HydrophobicContact CD1-CD1 4.22Å; F62-I73 HydrophobicContact CD1-CG1 3.85Å; F62-I73 HydrophobicContact CD1-CG2 4.24Å; F62-I73 HydrophobicContact CE1-CD1 4Å; F62-I73 HydrophobicContact CE1-CG1 4.03Å; F62-I73 HydrophobicContact CE1-CG2 3.91Å; F62-I73 HydrophobicContact CZ-CG2 4.38Å
63A94.8Very high88.6Confident0 Ų063.9 Ų63.90%032%0.323CS..EExtended strand (participates in β ladder)trans-105.3112163.700000107.8V27 I29 V44 P47 L48 F72V27-A63 HydrophobicContact CG2-CB 4.18Å; I29-A63 HydrophobicContact CD1-CB 4.09Å; I29-A63 HydrophobicContact CG1-CB 4.14Å; V44-A63 HydrophobicContact CG1-CB 4.04Å; P47-A63 WeakPolarHBondContact O-CA 3.3Å; L48-A63 HydrophobicContact CD1-CB 3.79Å; A63-F72 HydrophobicContact CB-CB 4.01Å; A63-F72 HydrophobicContact CB-CD1 4.26Å; A63-F72 PolarHBondContact N-O 2.98Å; A63-F72 PolarHBondContact O-N 2.74Å
64L93.5Very high88.7Confident10 Ų1064.4 Ų64.45%0.05233%0.325CS..  trans-82.6123.9179.6-58-177.1000108.6T9 V10 Y13 G46 P47 F49 N71T9-L64 HydrophobicContact CG2-CD1 3.81Å; V10-L64 HydrophobicContact CG2-CD1 4.47Å; Y13-L64 HydrophobicContact CD2-CD1 3.99Å; Y13-L64 HydrophobicContact CD2-CD2 3.67Å; Y13-L64 HydrophobicContact CD2-CG 4.48Å; Y13-L64 HydrophobicContact CE2-CD1 3.86Å; Y13-L64 HydrophobicContact CE2-CD2 4.05Å; Y13-L64 HydrophobicContact CG-CD2 4.11Å; G46-L64 VanDerWaalsContact CA-O 3.31Å; G46-L64 WeakPolarHBondContact CA-O 3.18Å; P47-L64 WeakPolarHBondContact CD-O 3.45Å; P47-L64 HydrophobicContact CG-CB 4.18Å; P47-L64 PolarHBondContact O-N 2.82Å; F49-L64 HydrophobicContact CD2-CD1 4.31Å; F49-L64 HydrophobicContact CD2-CG 4.27Å; F49-L64 HydrophobicContact CE2-CD1 3.76Å; F49-L64 HydrophobicContact CE2-CG 4.04Å; L64-N71 VanDerWaalsContact CA-OD1 3.28Å; L64-N71 WeakPolarHBondContact CA-OD1 3.2Å; L64-N71 HydrophobicContact CD2-CB 4.3Å
65N93.6Very high89Confident16 Ų1657.9 Ų57.99%0.08630%0.302CS..  trans-81.7131.6-175.5-170.7-0.5000110.2G43 V44 E45 L67 H68 A70 N71G43-N65 PolarHBondContact O-ND2 2.74Å; V44-N65 HydrophobicContact CG1-CB 4.01Å; E45-N65 PolarHBondContact N-OD1 3.28Å; E45-N65 PolarHBondContact O-OD1 2.82Å; N65-L67 PolarHBondContact OD1-N 3.39Å; N65-H68 WeakPolarHBondContact CB-O 3.33Å; N65-H68 VanDerWaalsContact CG-O 3.28Å; N65-H68 PolarHBondContact ND2-O 2.9Å; N65-A70 WeakPolarHBondContact CB-O 3.37Å; N65-A70 PolarHBondContact ND2-O 2.95Å; N65-A70 VanDerWaalsContact ND2-O 3.11Å; N65-N71 PolarHBondContact N-OD1 2.66Å
66R89.5Confident89.5Confident165 Ų16555.4 Ų55.462%0.62328%0.275SS*.SBendtrans-87-22.7176.8-65.5-178.6-177.7-170.25.9112.7G25 E45G25-R66 PolarHBondContact O-NH2 2.92Å; E45-R66 PolarHBondContact O-N 3.3Å
67L85.5Confident89.8Confident130 Ų13049.8 Ų49.868%0.68126%0.257SS*.SBendtrans-92.8-30.4-172.5-59176.9000112.7E45 N65E45-L67 HydrophobicContact CB-CD1 4.38Å; N65-L67 PolarHBondContact OD1-N 3.39Å
68H83.5Confident90Very high118 Ų11853.4 Ų53.455%0.54628%0.278SS..SBendtrans-148.8152.6-176.4-169.774.4000110N65 A70N65-H68 WeakPolarHBondContact CB-O 3.33Å; N65-H68 VanDerWaalsContact CG-O 3.28Å; N65-H68 PolarHBondContact ND2-O 2.9Å; H68-A70 PolarHBondContact CD2-N 3.36Å; H68-A70 PolarHBondContact O-N 2.89Å; H68-A70 VanDerWaalsContact O-N 3.09Å
69P83.1Confident89.8Confident103 Ų10351.1 Ų51.167%0.66927%0.273SS*.SBendtrans-63-11178.123-37.4000115.8N71P69-N71 PolarHBondContact O-N 3.34Å; P69-N71 VanDerWaalsContact O-N 3.13Å
70A89.5Confident89.7Confident53 Ų5350 Ų5044%0.43827%0.269SS..  trans-74.8103.8177.100000110.7N65 H68N65-A70 WeakPolarHBondContact CB-O 3.37Å; N65-A70 PolarHBondContact ND2-O 2.95Å; N65-A70 VanDerWaalsContact ND2-O 3.11Å; H68-A70 PolarHBondContact CD2-N 3.36Å; H68-A70 PolarHBondContact O-N 2.89Å; H68-A70 VanDerWaalsContact O-N 3.09Å
71N92.8Very high89.6Confident39 Ų3949.6 Ų49.621%0.20927%0.268CS..  trans-85.8152.3175.5-60.7-52000111.3Y13 L64 N65 P69Y13-N71 WeakPolarHBondContact CD1-ND2 3.34Å; Y13-N71 VanDerWaalsContact CE1-ND2 3.34Å; Y13-N71 WeakPolarHBondContact CE1-ND2 3.28Å; L64-N71 VanDerWaalsContact CA-OD1 3.28Å; L64-N71 WeakPolarHBondContact CA-OD1 3.2Å; L64-N71 HydrophobicContact CD2-CB 4.3Å; N65-N71 PolarHBondContact N-OD1 2.66Å; P69-N71 PolarHBondContact O-N 3.34Å; P69-N71 VanDerWaalsContact O-N 3.13Å
72F93.4Very high89.5Confident22 Ų2249.7 Ų49.710%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-93.6126.2172.8178.2-97.9000110.1I29 V44 F62 A63 L74 Y91I29-F72 HydrophobicContact CD1-CD1 4.18Å; I29-F72 HydrophobicContact CD1-CE1 4.45Å; I29-F72 HydrophobicContact CG1-CB 4.35Å; I29-F72 HydrophobicContact CG1-CD1 4.26Å; I29-F72 HydrophobicContact CG1-CG 4.21Å; I29-F72 HydrophobicContact CG2-CD2 4.04Å; I29-F72 HydrophobicContact CG2-CE2 4.01Å; I29-F72 HydrophobicContact CG2-CG 4.32Å; I29-F72 HydrophobicContact CG2-CZ 4.26Å; V44-F72 HydrophobicContact CB-CB 4.25Å; V44-F72 HydrophobicContact CG1-CB 3.75Å; V44-F72 HydrophobicContact CG2-CB 4.17Å; F62-F72 CarbonylContact C-O 3.48Å; F62-F72 WeakPolarHBondContact CA-O 3.26Å; A63-F72 HydrophobicContact CB-CB 4.01Å; A63-F72 HydrophobicContact CB-CD1 4.26Å; A63-F72 PolarHBondContact N-O 2.98Å; A63-F72 PolarHBondContact O-N 2.74Å; F72-L74 HydrophobicContact CD1-CB 4.43Å; F72-L74 HydrophobicContact CE1-CB 3.55Å; F72-L74 HydrophobicContact CE1-CD2 3.93Å; F72-L74 HydrophobicContact CE1-CG 4.34Å; F72-L74 HydrophobicContact CZ-CB 3.78Å; F72-L74 HydrophobicContact CZ-CD1 4.39Å; F72-L74 HydrophobicContact CZ-CD2 3.87Å; F72-L74 HydrophobicContact CZ-CG 4.25Å; F72-Y91 HydrophobicContact CZ-CE1 4.48Å; F72-Y91 AromaticContact CZ-CZ 3.85Å; F72-Y91 WeakPolarHBondContact CZ-OH 3.46Å
73I93Very high89.5Confident87 Ų8750.8 Ų50.845%0.44628%0.276SS..EExtended strand (participates in β ladder)trans-126.8126.9178.2-54.2176.5000108.3K60 L61 F62K60-I73 HydrophobicContact CD-CG2 4.04Å; L61-I73 WeakPolarHBondContact O-CA 3.4Å; F62-I73 HydrophobicContact CD1-CD1 4.22Å; F62-I73 HydrophobicContact CD1-CG1 3.85Å; F62-I73 HydrophobicContact CD1-CG2 4.24Å; F62-I73 HydrophobicContact CE1-CD1 4Å; F62-I73 HydrophobicContact CE1-CG1 4.03Å; F62-I73 HydrophobicContact CE1-CG2 3.91Å; F62-I73 HydrophobicContact CZ-CG2 4.38Å
74L92.8Very high89.4Confident13 Ų1354.4 Ų54.47%0.06829%0.293CS..EExtended strand (participates in β ladder)trans-133.8120.4-178.3-176.964.9000111.3K60 L61 F72 F80 Y91K60-L74 CarbonylContact C-O 3.59Å; K60-L74 VanDerWaalsContact CA-O 3.28Å; K60-L74 WeakPolarHBondContact CA-O 3.42Å; L61-L74 HydrophobicContact CB-CB 4.24Å; L61-L74 PolarHBondContact N-O 3.23Å; L61-L74 PolarHBondContact O-N 3.12Å; F72-L74 HydrophobicContact CD1-CB 4.43Å; F72-L74 HydrophobicContact CE1-CB 3.55Å; F72-L74 HydrophobicContact CE1-CD2 3.93Å; F72-L74 HydrophobicContact CE1-CG 4.34Å; F72-L74 HydrophobicContact CZ-CB 3.78Å; F72-L74 HydrophobicContact CZ-CD1 4.39Å; F72-L74 HydrophobicContact CZ-CD2 3.87Å; F72-L74 HydrophobicContact CZ-CG 4.25Å; L74-F80 HydrophobicContact CD2-CD2 4.27Å; L74-F80 HydrophobicContact CD2-CE2 3.46Å; L74-F80 VanDerWaalsContact CD2-CE2 3.46Å; L74-F80 HydrophobicContact CD2-CZ 4.25Å; L74-F80 HydrophobicContact CG-CD2 4.45Å; L74-F80 HydrophobicContact CG-CE2 4.07Å; L74-Y91 HydrophobicContact CD1-CE2 4.31Å; L74-Y91 HydrophobicContact CD2-CD1 4.45Å; L74-Y91 HydrophobicContact CD2-CD2 3.68Å; L74-Y91 HydrophobicContact CD2-CE1 4.35Å; L74-Y91 HydrophobicContact CD2-CE2 3.57Å; L74-Y91 HydrophobicContact CD2-CG 4.13Å
75A91.6Very high89.2Confident25 Ų2558.5 Ų58.521%0.20731%0.31CS..EExtended strand (participates in β ladder)trans-73.3133.6175.800000111.2C57 D77C57-A75 HydrophobicContact CB-CB 4.02Å; A75-D77 PolarHBondContact O-N 3.04Å
76I90.5Very high89Confident3 Ų363.8 Ų63.82%0.01534%0.339CS..  trans-90.288.5171.2-47.9178.3000107.9V50 Y59 L61 F80 I115 V118 K119 L122V50-I76 HydrophobicContact CG1-CD1 4.24Å; Y59-I76 PolarHBondContact O-N 3.16Å; L61-I76 HydrophobicContact CD1-CD1 3.29Å; L61-I76 HydrophobicContact CD1-CG1 3.35Å; I76-F80 HydrophobicContact CG2-CB 4.26Å; I76-F80 HydrophobicContact CG2-CD1 3.88Å; I76-F80 HydrophobicContact CG2-CG 4.18Å; I76-I115 HydrophobicContact CD1-CG1 4.39Å; I76-I115 HydrophobicContact CD1-CG2 4.38Å; I76-I115 HydrophobicContact CG2-CG2 4.38Å; I76-V118 HydrophobicContact CD1-CG1 4.35Å; I76-K119 HydrophobicContact CG2-CG 4.09Å; I76-L122 HydrophobicContact CG2-CD1 4.37Å; I76-L122 WeakPolarHBondContact O-CD1 3.37Å
77D82.7Confident88.9Confident42 Ų4257 Ų5723%0.22532%0.32CS..  trans-91.7178.9176.2-65-35.3000112.1C57 A75 T79 F80C57-D77 PolarHBondContact SG-OD1 3.39Å; A75-D77 PolarHBondContact O-N 3.04Å; D77-T79 PolarHBondContact O-N 3.11Å; D77-F80 VanDerWaalsContact O-CB 3.27Å; D77-F80 WeakPolarHBondContact O-CB 3.45Å; D77-F80 PolarHBondContact O-N 2.56Å; D77-F80 VanDerWaalsContact O-N 3.13Å
78V81.3Confident89.3Confident116 Ų11653.9 Ų53.970%0.70330%0.301SS*.THydrogen-bonded Turntrans-63.3-27.4176.967.40000113
79T81.6Confident89.9Confident61 Ų6148.2 Ų48.237%0.37428%0.275SS..THydrogen-bonded Turntrans-84.3-15.3177.654.80000112.8D77 D81D77-T79 PolarHBondContact O-N 3.11Å; T79-D81 PolarHBondContact O-N 2.84Å
80F89.4Confident90.4Very high1 Ų144.2 Ų44.20%0.00425%0.248CC..  trans-65.5125.2-180-178.9-88.8000109.3L74 I76 D77 C82 Y91 K92 I115 K119L74-F80 HydrophobicContact CD2-CD2 4.27Å; L74-F80 HydrophobicContact CD2-CE2 3.46Å; L74-F80 VanDerWaalsContact CD2-CE2 3.46Å; L74-F80 HydrophobicContact CD2-CZ 4.25Å; L74-F80 HydrophobicContact CG-CD2 4.45Å; L74-F80 HydrophobicContact CG-CE2 4.07Å; I76-F80 HydrophobicContact CG2-CB 4.26Å; I76-F80 HydrophobicContact CG2-CD1 3.88Å; I76-F80 HydrophobicContact CG2-CG 4.18Å; D77-F80 VanDerWaalsContact O-CB 3.27Å; D77-F80 WeakPolarHBondContact O-CB 3.45Å; D77-F80 PolarHBondContact O-N 2.56Å; D77-F80 VanDerWaalsContact O-N 3.13Å; F80-C82 HydrophobicContact CE1-CB 3.89Å; F80-C82 HydrophobicContact CZ-CB 4.25Å; F80-Y91 AromaticContact CE2-CD2 3.9Å; F80-Y91 HydrophobicContact CE2-CD2 3.9Å; F80-Y91 HydrophobicContact CE2-CG 4Å; F80-Y91 HydrophobicContact CZ-CG 4.21Å; F80-K92 WeakPolarHBondContact CA-O 3.3Å; F80-I115 HydrophobicContact CD1-CG2 4.11Å; F80-I115 HydrophobicContact CE1-CG2 3.66Å; F80-K119 HydrophobicContact CD1-CD 4.34Å; F80-K119 WeakPolarHBondContact O-CD 3.49Å; F80-K119 WeakPolarHBondContact O-CE 3.11Å; F80-K119 PolarHBondContact O-NZ 2.94Å
81D90.8Very high90.7Very high35 Ų3541.7 Ų41.719%0.18723%0.227CC..EExtended strand (participates in β ladder)trans-130.8149.8174-160.829000111.7T79 Y91 K92 K119 I150T79-D81 PolarHBondContact O-N 2.84Å; D81-Y91 CarbonylContact O-C 3.54Å; D81-Y91 WeakPolarHBondContact O-CA 3.31Å; D81-K92 PolarHBondContact N-O 2.94Å; D81-K92 PolarHBondContact O-N 3.48Å; D81-K119 IonicContact OD1-NZ 3.63Å; D81-K119 PolarHBondContact OD1-NZ 3.39Å; D81-I150 WeakPolarHBondContact OD2-CG2 3.5Å; D81-I150 PolarHBondContact OD2-N 2.82Å
82C92.9Very high90.6Very high3 Ų342.4 Ų42.42%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-145.6140.6-17965.50000112.8F80 L89 L90F80-C82 HydrophobicContact CE1-CB 3.89Å; F80-C82 HydrophobicContact CZ-CB 4.25Å; C82-L89 HydrophobicContact CB-CD2 3.75Å; C82-L89 HydrophobicContact CB-CG 4.36Å; C82-L90 CarbonylContact C-O 3.52Å; C82-L90 WeakPolarHBondContact CA-O 3.42Å
83V92.7Very high90.3Very high25 Ų2541.8 Ų41.815%0.15223%0.226CC..EExtended strand (participates in β ladder)trans-132.8151.3175.3-70.10000110.8L90 I150 M151V83-L90 HydrophobicContact CG2-CB 3.96Å; V83-L90 PolarHBondContact N-O 3.38Å; V83-L90 PolarHBondContact O-N 3.14Å; V83-I150 HydrophobicContact CB-CG2 3.99Å; V83-I150 HydrophobicContact CG1-CG2 3.26Å; V83-I150 HydrophobicContact CG2-CD1 4.3Å; V83-I150 HydrophobicContact CG2-CG2 3.57Å; V83-M151 HydrophobicContact CB-SD 4.4Å; V83-M151 HydrophobicContact CG1-CG 4.08Å; V83-M151 HydrophobicContact CG1-SD 4.32Å; V83-M151 HydrophobicContact CG2-SD 4.09Å
84E92.8Very high89.7Confident76 Ų7645.6 Ų45.636%0.35524%0.235SC..EExtended strand (participates in β ladder)trans-88.5124.7170.3-162.2168.5170.700108.3F88 R108 S109 I112E84-F88 WeakPolarHBondContact CA-O 3.34Å; E84-R108 IonicContact OE1-CZ 3.04Å; E84-R108 VanDerWaalsContact OE1-CZ 3.29Å; E84-R108 IonicContact OE1-NE 3.17Å; E84-R108 PolarHBondContact OE1-NE 3.14Å; E84-R108 IonicContact OE1-NH2 2.82Å; E84-R108 PolarHBondContact OE1-NH2 2.95Å; E84-S109 PolarHBondContact OE1-OG 3.11Å; E84-S109 PolarHBondContact OE2-OG 3.11Å; E84-S109 VanDerWaalsContact OE2-OG 3.14Å; E84-I112 HydrophobicContact CB-CD1 3.52Å; E84-I112 HydrophobicContact CG-CD1 3.75Å
85K90.8Very high89Confident95 Ų9551.5 Ų51.541%0.41326%0.262SS..EExtended strand (participates in β ladder)trans-150.4132.7177-163.2-166175.1-159.10110.7G87 F88 L90K85-G87 PolarHBondContact O-N 3.47Å; K85-F88 PolarHBondContact N-O 3.17Å; K85-F88 PolarHBondContact O-N 3.42Å; K85-L90 HydrophobicContact CB-CD1 3.73Å; K85-L90 HydrophobicContact CB-CG 4.25Å; K85-L90 HydrophobicContact CD-CD1 3.88Å; K85-L90 HydrophobicContact CG-CD1 4.42Å
86D88Confident88.6Confident127 Ų12752.1 Ų52.168%0.67927%0.265SS*.THydrogen-bonded Turntrans51.532172.3-52-31.1000114.3F88D86-F88 WeakPolarHBondContact O-CD2 3.07Å; D86-F88 WeakPolarHBondContact O-CE2 3.22Å
87G88.8Confident88.7Confident22 Ų2253.4 Ų53.423%0.22727%0.273CS..THydrogen-bonded Turntrans89.11.4-178.300000115.6K85 R108K85-G87 PolarHBondContact O-N 3.47Å; G87-R108 VanDerWaalsContact O-CD 3.25Å; G87-R108 WeakPolarHBondContact O-CD 3.28Å; G87-R108 PolarHBondContact O-NH1 2.82Å
88F93.5Very high89.2Confident65 Ų6551.4 Ų51.429%0.28526%0.263SS..EExtended strand (participates in β ladder)trans-114.4153.1-179.4-60.8-98.8000111.7Y30 E84 K85 D86 L90 A99 W101Y30-F88 HydrophobicContact CD2-CE1 4.38Å; Y30-F88 HydrophobicContact CE2-CE1 4.22Å; E84-F88 WeakPolarHBondContact CA-O 3.34Å; K85-F88 PolarHBondContact N-O 3.17Å; K85-F88 PolarHBondContact O-N 3.42Å; D86-F88 WeakPolarHBondContact O-CD2 3.07Å; D86-F88 WeakPolarHBondContact O-CE2 3.22Å; F88-L90 HydrophobicContact CB-CD2 4.23Å; F88-A99 HydrophobicContact CB-CB 4.41Å; F88-A99 HydrophobicContact CD1-CB 4.25Å; F88-W101 HydrophobicContact CD1-CB 3.72Å; F88-W101 AromaticContact CD1-CD1 3.95Å; F88-W101 HydrophobicContact CD1-CG 4.26Å; F88-W101 HydrophobicContact CE1-CB 3.59Å; F88-W101 AromaticContact CE1-CD1 3.51Å; F88-W101 AromaticContact CE1-CG 3.87Å; F88-W101 HydrophobicContact CE1-CG 3.87Å; F88-W101 AromaticContact CZ-CD1 3.72Å; F88-W101 HydrophobicContact CZ-CG 4.45Å
89L95.1Very high89.9Confident0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-90.1103160-175.9170.9000107.3C82 Y91 A99 I100 F102 V111 I112 I115C82-L89 HydrophobicContact CB-CD2 3.75Å; C82-L89 HydrophobicContact CB-CG 4.36Å; L89-Y91 HydrophobicContact CD2-CD1 4.26Å; L89-A99 CarbonylContact O-C 3.49Å; L89-A99 WeakPolarHBondContact O-CA 3.45Å; L89-I100 HydrophobicContact CB-CB 4.23Å; L89-I100 HydrophobicContact CD2-CD1 4.41Å; L89-I100 PolarHBondContact N-O 3.41Å; L89-I100 PolarHBondContact O-N 3.4Å; L89-F102 HydrophobicContact CB-CE2 3.8Å; L89-F102 HydrophobicContact CD1-CE2 4.07Å; L89-F102 HydrophobicContact CD1-CZ 4.19Å; L89-V111 HydrophobicContact CD1-CG1 4.08Å; L89-I112 HydrophobicContact CB-CD1 4.03Å; L89-I112 HydrophobicContact CB-CG1 4.22Å; L89-I112 HydrophobicContact CD1-CD1 4.21Å; L89-I112 HydrophobicContact CD1-CG1 3.47Å; L89-I112 VanDerWaalsContact CD1-CG1 3.47Å; L89-I112 HydrophobicContact CG-CD1 3.93Å; L89-I112 HydrophobicContact CG-CG1 3.67Å; L89-I115 HydrophobicContact CD1-CD1 4.02Å
90L95.3Very high90.6Very high19 Ų1943.2 Ų43.210%0.09921%0.213CC..EExtended strand (participates in β ladder)trans-82.8127.5172.2-58.9-178.8000108.6W39 C82 V83 K85 F88 A99 I150 L154W39-L90 HydrophobicContact CH2-CD2 4.01Å; W39-L90 HydrophobicContact CZ2-CD2 4.26Å; C82-L90 CarbonylContact C-O 3.52Å; C82-L90 WeakPolarHBondContact CA-O 3.42Å; V83-L90 HydrophobicContact CG2-CB 3.96Å; V83-L90 PolarHBondContact N-O 3.38Å; V83-L90 PolarHBondContact O-N 3.14Å; K85-L90 HydrophobicContact CB-CD1 3.73Å; K85-L90 HydrophobicContact CB-CG 4.25Å; K85-L90 HydrophobicContact CD-CD1 3.88Å; K85-L90 HydrophobicContact CG-CD1 4.42Å; F88-L90 HydrophobicContact CB-CD2 4.23Å; L90-A99 HydrophobicContact CD2-CB 3.52Å; L90-I150 HydrophobicContact CB-CD1 4.4Å; L90-L154 HydrophobicContact CD1-CD1 4.16Å
91Y94.3Very high90.9Very high0 Ų047.5 Ų47.50%023%0.229CC..EExtended strand (participates in β ladder)trans-123.6151176.569.4-92.9000111.8F72 L74 F80 D81 L89 V97 G98 I100F72-Y91 HydrophobicContact CZ-CE1 4.48Å; F72-Y91 AromaticContact CZ-CZ 3.85Å; F72-Y91 WeakPolarHBondContact CZ-OH 3.46Å; L74-Y91 HydrophobicContact CD1-CE2 4.31Å; L74-Y91 HydrophobicContact CD2-CD1 4.45Å; L74-Y91 HydrophobicContact CD2-CD2 3.68Å; L74-Y91 HydrophobicContact CD2-CE1 4.35Å; L74-Y91 HydrophobicContact CD2-CE2 3.57Å; L74-Y91 HydrophobicContact CD2-CG 4.13Å; F80-Y91 AromaticContact CE2-CD2 3.9Å; F80-Y91 HydrophobicContact CE2-CD2 3.9Å; F80-Y91 HydrophobicContact CE2-CG 4Å; F80-Y91 HydrophobicContact CZ-CG 4.21Å; D81-Y91 CarbonylContact O-C 3.54Å; D81-Y91 WeakPolarHBondContact O-CA 3.31Å; L89-Y91 HydrophobicContact CD2-CD1 4.26Å; Y91-V97 WeakPolarHBondContact O-CA 3.35Å; Y91-G98 WeakPolarHBondContact CD1-O 3.29Å; Y91-G98 VanDerWaalsContact CE1-C 3.4Å; Y91-G98 VanDerWaalsContact CZ-CA 3.46Å; Y91-G98 PolarHBondContact N-O 3.42Å; Y91-G98 PolarHBondContact O-N 2.61Å; Y91-I100 HydrophobicContact CD1-CD1 4.14Å; Y91-I100 HydrophobicContact CD1-CG1 3.92Å; Y91-I100 HydrophobicContact CE1-CD1 4.17Å; Y91-I100 HydrophobicContact CE1-CG1 3.78Å
92K90.9Very high91.2Very high54 Ų5446 Ų4624%0.23522%0.221CC..EExtended strand (participates in β ladder)trans-122.8120.2169.9178.3179.9178.1-170.20108.2F80 D81 V97 I150 L153F80-K92 WeakPolarHBondContact CA-O 3.3Å; D81-K92 PolarHBondContact N-O 2.94Å; D81-K92 PolarHBondContact O-N 3.48Å; K92-V97 HydrophobicContact CB-CG2 4.46Å; K92-V97 HydrophobicContact CG-CG2 4.19Å; K92-I150 HydrophobicContact CB-CD1 3.81Å; K92-I150 HydrophobicContact CB-CG1 4.23Å; K92-L153 HydrophobicContact CD-CD2 3.63Å
93S87.1Confident91.2Very high8 Ų852.9 Ų52.96%0.05625%0.251CS..  trans-98178.3166.3-173.10000109.9Q95 S96S93-Q95 VanDerWaalsContact C-N 3.28Å; S93-S96 PolarHBondContact N-O 3.35Å
94W80.4Confident91.2Very high167 Ų16756.1 Ų56.163%0.63326%0.264SS*.SBendtrans-69.3-27.7171.266.4-86.1000112.4
95Q79.2Confident91.2Very high137 Ų13759 Ų5964%0.6428%0.278SS*.SBendtrans-91.9-40.3-179.7-62.9-176.1-46.700113.5S93S93-Q95 VanDerWaalsContact C-N 3.28Å
96S83.5Confident91.3Very high38 Ų3856.1 Ų56.127%0.26628%0.275SS..  trans-149.9158.5-164.958.50000112.5S93S93-S96 PolarHBondContact N-O 3.35Å
97V91.8Very high91.6Very high31 Ų3151.8 Ų51.819%0.18825%0.251CS..EExtended strand (participates in β ladder)trans-107.7135.7168179.20000107F32 W39 Y91 K92F32-V97 HydrophobicContact CB-CB 4.22Å; F32-V97 HydrophobicContact CB-CG1 4.42Å; F32-V97 WeakPolarHBondContact CB-O 3.38Å; F32-V97 PolarHBondContact N-O 3.29Å; W39-V97 HydrophobicContact CH2-CG1 4.26Å; Y91-V97 WeakPolarHBondContact O-CA 3.35Å; K92-V97 HydrophobicContact CB-CG2 4.46Å; K92-V97 HydrophobicContact CG-CG2 4.19Å
98G94Very high91.8Very high0 Ų051.7 Ų51.70%024%0.244CC..EExtended strand (participates in β ladder)trans-146.6171.1-18000000112.3Y30 Y91Y30-G98 CarbonylContact O-C 3.6Å; Y30-G98 VanDerWaalsContact O-CA 3.24Å; Y30-G98 WeakPolarHBondContact O-CA 3.49Å; Y91-G98 WeakPolarHBondContact CD1-O 3.29Å; Y91-G98 VanDerWaalsContact CE1-C 3.4Å; Y91-G98 VanDerWaalsContact CZ-CA 3.46Å; Y91-G98 PolarHBondContact N-O 3.42Å; Y91-G98 PolarHBondContact O-N 2.61Å
99A95.4Very high91.8Very high4 Ų450.5 Ų50.53%0.03324%0.244CC..EExtended strand (participates in β ladder)trans-131.1140.8177.200000109.6Y30 W39 F88 L89 L90Y30-A99 PolarHBondContact N-O 3.43Å; Y30-A99 PolarHBondContact O-N 3.38Å; W39-A99 HydrophobicContact CE3-CB 4.25Å; W39-A99 HydrophobicContact CH2-CB 3.99Å; W39-A99 HydrophobicContact CZ3-CB 3.66Å; F88-A99 HydrophobicContact CB-CB 4.41Å; F88-A99 HydrophobicContact CD1-CB 4.25Å; L89-A99 CarbonylContact O-C 3.49Å; L89-A99 WeakPolarHBondContact O-CA 3.45Å; L90-A99 HydrophobicContact CD2-CB 3.52Å
100I96.6Very high91.8Very high0 Ų055.8 Ų55.80%027%0.267CS..EExtended strand (participates in β ladder)trans-116.1117.2174.1-52.1-179.7000107.1V27 I29 L61 L89 Y91 F102V27-I100 HydrophobicContact CB-CG2 3.74Å; V27-I100 HydrophobicContact CG1-CG2 4.09Å; V27-I100 HydrophobicContact CG2-CG2 4.13Å; I29-I100 HydrophobicContact CD1-CB 4.24Å; I29-I100 HydrophobicContact CD1-CD1 4.04Å; I29-I100 HydrophobicContact CD1-CG1 3.71Å; I29-I100 HydrophobicContact CD1-CG2 3.87Å; L61-I100 HydrophobicContact CD2-CD1 4.05Å; L89-I100 HydrophobicContact CB-CB 4.23Å; L89-I100 HydrophobicContact CD2-CD1 4.41Å; L89-I100 PolarHBondContact N-O 3.41Å; L89-I100 PolarHBondContact O-N 3.4Å; Y91-I100 HydrophobicContact CD1-CD1 4.14Å; Y91-I100 HydrophobicContact CD1-CG1 3.92Å; Y91-I100 HydrophobicContact CE1-CD1 4.17Å; Y91-I100 HydrophobicContact CE1-CG1 3.78Å; I100-F102 HydrophobicContact CB-CE2 3.92Å; I100-F102 HydrophobicContact CG2-CD2 4.05Å; I100-F102 HydrophobicContact CG2-CE2 3.47Å; I100-F102 VanDerWaalsContact CG2-CE2 3.47Å; I100-F102 HydrophobicContact CG2-CZ 3.84Å
101W96.1Very high91.8Very high92 Ų9255 Ų5535%0.34826%0.262SS..EExtended strand (participates in β ladder)trans-87.3139.8170.1-174.375000109.6V27 A28 Y30 F88 F103V27-W101 CarbonylContact C-O 3.55Å; V27-W101 WeakPolarHBondContact CA-O 3.43Å; V27-W101 VanDerWaalsContact CB-O 3.28Å; V27-W101 WeakPolarHBondContact CB-O 3.33Å; A28-W101 HydrophobicContact CB-CB 4.43Å; A28-W101 HydrophobicContact CB-CE3 4.27Å; A28-W101 PolarHBondContact N-O 3.23Å; A28-W101 PolarHBondContact O-N 2.83Å; Y30-W101 HydrophobicContact CE2-CB 3.98Å; F88-W101 HydrophobicContact CD1-CB 3.72Å; F88-W101 AromaticContact CD1-CD1 3.95Å; F88-W101 HydrophobicContact CD1-CG 4.26Å; F88-W101 HydrophobicContact CE1-CB 3.59Å; F88-W101 AromaticContact CE1-CD1 3.51Å; F88-W101 AromaticContact CE1-CG 3.87Å; F88-W101 HydrophobicContact CE1-CG 3.87Å; F88-W101 AromaticContact CZ-CD1 3.72Å; F88-W101 HydrophobicContact CZ-CG 4.45Å; W101-F103 HydrophobicContact CH2-CB 4.3Å; W101-F103 AromaticContact CH2-CD2 3.98Å; W101-F103 HydrophobicContact CH2-CD2 3.98Å; W101-F103 HydrophobicContact CZ3-CB 4.16Å; W101-F103 HydrophobicContact CZ3-CD2 4.36Å
102F95.7Very high91.8Very high2 Ų255 Ų551%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-115133.3178.8-73.4-101.9000108.9A24 V27 L48 L89 I100 E104 E107 R108 V111A24-F102 HydrophobicContact CB-CD1 4.07Å; A24-F102 HydrophobicContact CB-CE1 3.76Å; V27-F102 HydrophobicContact CG1-CD1 3.5Å; V27-F102 VanDerWaalsContact CG1-CD1 3.5Å; V27-F102 HydrophobicContact CG1-CE1 3.49Å; V27-F102 VanDerWaalsContact CG1-CE1 3.49Å; V27-F102 HydrophobicContact CG1-CG 4.05Å; V27-F102 HydrophobicContact CG1-CZ 4.05Å; L48-F102 HydrophobicContact CD2-CE1 3.96Å; L48-F102 HydrophobicContact CD2-CZ 3.75Å; L89-F102 HydrophobicContact CB-CE2 3.8Å; L89-F102 HydrophobicContact CD1-CE2 4.07Å; L89-F102 HydrophobicContact CD1-CZ 4.19Å; I100-F102 HydrophobicContact CB-CE2 3.92Å; I100-F102 HydrophobicContact CG2-CD2 4.05Å; I100-F102 HydrophobicContact CG2-CE2 3.47Å; I100-F102 VanDerWaalsContact CG2-CE2 3.47Å; I100-F102 HydrophobicContact CG2-CZ 3.84Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E107 HydrophobicContact CD1-CB 4.35Å; F102-R108 HydrophobicContact CB-CB 3.92Å; F102-R108 HydrophobicContact CD1-CB 4.2Å; F102-R108 HydrophobicContact CD2-CB 3.74Å; F102-R108 HydrophobicContact CD2-CG 3.58Å; F102-R108 HydrophobicContact CE2-CB 4.33Å; F102-R108 HydrophobicContact CE2-CG 3.97Å; F102-R108 HydrophobicContact CG-CB 3.68Å; F102-R108 HydrophobicContact CG-CG 4.07Å; F102-V111 HydrophobicContact CE1-CB 4.17Å; F102-V111 HydrophobicContact CE1-CG1 4.46Å; F102-V111 HydrophobicContact CE1-CG2 3.88Å; F102-V111 HydrophobicContact CZ-CB 4.1Å; F102-V111 HydrophobicContact CZ-CG1 4.02Å; F102-V111 HydrophobicContact CZ-CG2 4.26Å
103F94Very high92Very high149 Ų14956.8 Ų56.865%0.65427%0.274SS*.SBendtrans-64.3-42.4172.5-179.1-100.2000111.3H26 W101H26-F103 HydrophobicContact CB-CB 3.87Å; H26-F103 PolarHBondContact O-N 3.32Å; W101-F103 HydrophobicContact CH2-CB 4.3Å; W101-F103 AromaticContact CH2-CD2 3.98Å; W101-F103 HydrophobicContact CH2-CD2 3.98Å; W101-F103 HydrophobicContact CZ3-CB 4.16Å; W101-F103 HydrophobicContact CZ3-CD2 4.36Å
104E93Very high92.3Very high93 Ų9357.2 Ų57.244%0.43528%0.278SS..SBendtrans-101.5116.6175.4-170.7-177.8155.300110.8F102 G106 E107 R108F102-E104 VanDerWaalsContact C-N 3.34Å; E104-G106 PolarHBondContact O-N 2.91Å; E104-E107 HydrophobicContact CB-CB 4.32Å; E104-E107 HydrophobicContact CB-CG 3.95Å; E104-E107 HydrophobicContact CG-CG 4.14Å; E104-E107 PolarHBondContact O-N 2.88Å; E104-E107 VanDerWaalsContact O-N 3.15Å; E104-R108 PolarHBondContact O-N 3.43Å
105E92Very high92.9Very high135 Ų13549.3 Ų49.363%0.63125%0.247SC*.Hα-helixtrans-61.3-33.8179.4-58.6-172.7165.100112.6E107 R108E105-E107 VanDerWaalsContact C-N 3.3Å; E105-E107 PolarHBondContact O-N 2.76Å; E105-R108 WeakPolarHBondContact O-CB 3.23Å; E105-R108 PolarHBondContact O-N 2.84Å
106G92.7Very high93.6Very high35 Ų3547.8 Ų47.836%0.36124%0.239SC..Hα-helixtrans-66.4-28.7177.900000113.7E104 K110E104-G106 PolarHBondContact O-N 2.91Å; G106-K110 WeakPolarHBondContact O-CD 3.33Å; G106-K110 WeakPolarHBondContact O-CE 3.27Å; G106-K110 VanDerWaalsContact O-CG 3.27Å; G106-K110 WeakPolarHBondContact O-CG 3Å
107E93.4Very high93.9Very high36 Ų3649.3 Ų49.317%0.16825%0.25CC..Hα-helixtrans-75.4-35.4175.2-67.3-170.5140.700111.7A24 G25 F102 E104 E105 S109 K110 V111A24-E107 WeakPolarHBondContact CA-OE2 3.19Å; A24-E107 HydrophobicContact CB-CB 4.05Å; A24-E107 WeakPolarHBondContact CB-OE2 3.28Å; G25-E107 PolarHBondContact N-OE1 3.21Å; G25-E107 PolarHBondContact N-OE2 2.79Å; F102-E107 HydrophobicContact CD1-CB 4.35Å; E104-E107 HydrophobicContact CB-CB 4.32Å; E104-E107 HydrophobicContact CB-CG 3.95Å; E104-E107 HydrophobicContact CG-CG 4.14Å; E104-E107 PolarHBondContact O-N 2.88Å; E104-E107 VanDerWaalsContact O-N 3.15Å; E105-E107 VanDerWaalsContact C-N 3.3Å; E105-E107 PolarHBondContact O-N 2.76Å; E107-S109 PolarHBondContact O-N 3.39Å; E107-K110 PolarHBondContact O-N 2.92Å; E107-V111 WeakPolarHBondContact O-CG2 3.1Å; E107-V111 PolarHBondContact O-N 3.09Å
108R94.5Very high93.9Very high20 Ų2048.1 Ų48.18%0.07524%0.242CC..Hα-helixtrans-54-55.6179.2-175.3174.466.3-130-5.4111.7E84 G87 F102 E104 E105 K110 V111 I112E84-R108 IonicContact OE1-CZ 3.04Å; E84-R108 VanDerWaalsContact OE1-CZ 3.29Å; E84-R108 IonicContact OE1-NE 3.17Å; E84-R108 PolarHBondContact OE1-NE 3.14Å; E84-R108 IonicContact OE1-NH2 2.82Å; E84-R108 PolarHBondContact OE1-NH2 2.95Å; G87-R108 VanDerWaalsContact O-CD 3.25Å; G87-R108 WeakPolarHBondContact O-CD 3.28Å; G87-R108 PolarHBondContact O-NH1 2.82Å; F102-R108 HydrophobicContact CB-CB 3.92Å; F102-R108 HydrophobicContact CD1-CB 4.2Å; F102-R108 HydrophobicContact CD2-CB 3.74Å; F102-R108 HydrophobicContact CD2-CG 3.58Å; F102-R108 HydrophobicContact CE2-CB 4.33Å; F102-R108 HydrophobicContact CE2-CG 3.97Å; F102-R108 HydrophobicContact CG-CB 3.68Å; F102-R108 HydrophobicContact CG-CG 4.07Å; E104-R108 PolarHBondContact O-N 3.43Å; E105-R108 WeakPolarHBondContact O-CB 3.23Å; E105-R108 PolarHBondContact O-N 2.84Å; R108-K110 VanDerWaalsContact C-N 3.29Å; R108-K110 PolarHBondContact O-N 2.75Å; R108-V111 PolarHBondContact O-N 3.22Å; R108-I112 HydrophobicContact CG-CD1 3.99Å; R108-I112 WeakPolarHBondContact O-CG1 3Å; R108-I112 PolarHBondContact O-N 2.78Å
109S93.8Very high93.6Very high41 Ų4150.6 Ų50.629%0.28725%0.253SS..Hα-helixtrans-65.8-32.6-178-52.60000112.2E84 E107 N113E84-S109 PolarHBondContact OE1-OG 3.11Å; E84-S109 PolarHBondContact OE2-OG 3.11Å; E84-S109 VanDerWaalsContact OE2-OG 3.14Å; E107-S109 PolarHBondContact O-N 3.39Å; S109-N113 WeakPolarHBondContact O-CB 3.44Å; S109-N113 PolarHBondContact O-N 2.87Å; S109-N113 PolarHBondContact O-ND2 3.32Å
110K94.6Very high93.2Very high111 Ų11158.1 Ų58.148%0.48329%0.285SS..Hα-helixtrans-65.4-44.9174.7-66.9169.2-169.3164.10111.5H22 G106 E107 R108 N113 C114H22-K110 WeakPolarHBondContact NE2-CB 3.03Å; G106-K110 WeakPolarHBondContact O-CD 3.33Å; G106-K110 WeakPolarHBondContact O-CE 3.27Å; G106-K110 VanDerWaalsContact O-CG 3.27Å; G106-K110 WeakPolarHBondContact O-CG 3Å; E107-K110 PolarHBondContact O-N 2.92Å; R108-K110 VanDerWaalsContact C-N 3.29Å; R108-K110 PolarHBondContact O-N 2.75Å; K110-N113 PolarHBondContact O-N 2.96Å; K110-C114 WeakPolarHBondContact O-CB 3.36Å; K110-C114 PolarHBondContact O-N 3.13Å
111V94.9Very high92.7Very high1 Ų161.9 Ų61.91%0.00631%0.305CS..Hα-helixtrans-62.8-46.3176.1170.60000111.1A24 L48 V50 L89 F102 E107 R108 N113 C114 I115A24-V111 HydrophobicContact CB-CG2 4.03Å; L48-V111 HydrophobicContact CD2-CG1 4.02Å; V50-V111 HydrophobicContact CG2-CG1 4.26Å; L89-V111 HydrophobicContact CD1-CG1 4.08Å; F102-V111 HydrophobicContact CE1-CB 4.17Å; F102-V111 HydrophobicContact CE1-CG1 4.46Å; F102-V111 HydrophobicContact CE1-CG2 3.88Å; F102-V111 HydrophobicContact CZ-CB 4.1Å; F102-V111 HydrophobicContact CZ-CG1 4.02Å; F102-V111 HydrophobicContact CZ-CG2 4.26Å; E107-V111 WeakPolarHBondContact O-CG2 3.1Å; E107-V111 PolarHBondContact O-N 3.09Å; R108-V111 PolarHBondContact O-N 3.22Å; V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 3.09Å; V111-C114 WeakPolarHBondContact O-CB 3.49Å; V111-C114 PolarHBondContact O-N 3.39Å; V111-C114 VanDerWaalsContact O-N 3.16Å; V111-I115 HydrophobicContact CG1-CD1 3.7Å; V111-I115 HydrophobicContact CG1-CG1 4.35Å; V111-I115 WeakPolarHBondContact O-CG1 3.22Å; V111-I115 PolarHBondContact O-N 3.34Å
112I94.6Very high92Very high1 Ų159.7 Ų59.71%0.00530%0.3CS..Hα-helixtrans-59.6-45.6178.4-68.8175.6000110.9E84 L89 R108 C114 I115 K116E84-I112 HydrophobicContact CB-CD1 3.52Å; E84-I112 HydrophobicContact CG-CD1 3.75Å; L89-I112 HydrophobicContact CB-CD1 4.03Å; L89-I112 HydrophobicContact CB-CG1 4.22Å; L89-I112 HydrophobicContact CD1-CD1 4.21Å; L89-I112 HydrophobicContact CD1-CG1 3.47Å; L89-I112 VanDerWaalsContact CD1-CG1 3.47Å; L89-I112 HydrophobicContact CG-CD1 3.93Å; L89-I112 HydrophobicContact CG-CG1 3.67Å; R108-I112 HydrophobicContact CG-CD1 3.99Å; R108-I112 WeakPolarHBondContact O-CG1 3Å; R108-I112 PolarHBondContact O-N 2.78Å; I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 2.91Å; I112-I115 PolarHBondContact O-N 3.12Å; I112-K116 HydrophobicContact CG2-CD 4.06Å; I112-K116 WeakPolarHBondContact O-CB 3.41Å; I112-K116 WeakPolarHBondContact O-CG 3.39Å; I112-K116 PolarHBondContact O-N 3.47Å
113N94.8Very high91.2Very high91 Ų9163.9 Ų63.949%0.48732%0.318SS..Hα-helixtrans-65.5-37.4177.3-72.2-23.9000112.1S109 K110 V111 S117S109-N113 WeakPolarHBondContact O-CB 3.44Å; S109-N113 PolarHBondContact O-N 2.87Å; S109-N113 PolarHBondContact O-ND2 3.32Å; K110-N113 PolarHBondContact O-N 2.96Å; V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 3.09Å; N113-S117 WeakPolarHBondContact O-CB 3.48Å; N113-S117 PolarHBondContact O-N 3.3Å; N113-S117 PolarHBondContact O-OG 2.89Å
114C93.3Very high90.4Very high18 Ų1863.8 Ų63.812%0.12231%0.314CS..Hα-helixtrans-59.9-48.8172.5-179.50000111H22 K110 V111 I112 S117 V118H22-C114 HydrophobicContact CB-CB 4.2Å; K110-C114 WeakPolarHBondContact O-CB 3.36Å; K110-C114 PolarHBondContact O-N 3.13Å; V111-C114 WeakPolarHBondContact O-CB 3.49Å; V111-C114 PolarHBondContact O-N 3.39Å; V111-C114 VanDerWaalsContact O-N 3.16Å; I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 2.91Å; C114-S117 WeakPolarHBondContact O-CB 3.24Å; C114-S117 PolarHBondContact O-N 3.02Å; C114-V118 WeakPolarHBondContact O-CG2 3.38Å; C114-V118 PolarHBondContact O-N 3.44Å
115I93.7Very high89.5Confident0 Ų065.1 Ų65.10%032%0.318CS..Hα-helixtrans-63.7-44.4179.9-64.7164.1000111.2V50 L61 I76 F80 L89 V111 I112 S117 V118 K119V50-I115 HydrophobicContact CG2-CG1 4.4Å; L61-I115 HydrophobicContact CD1-CD1 4.2Å; L61-I115 HydrophobicContact CD1-CG1 4.32Å; L61-I115 HydrophobicContact CD2-CD1 4.05Å; I76-I115 HydrophobicContact CD1-CG1 4.39Å; I76-I115 HydrophobicContact CD1-CG2 4.38Å; I76-I115 HydrophobicContact CG2-CG2 4.38Å; F80-I115 HydrophobicContact CD1-CG2 4.11Å; F80-I115 HydrophobicContact CE1-CG2 3.66Å; L89-I115 HydrophobicContact CD1-CD1 4.02Å; V111-I115 HydrophobicContact CG1-CD1 3.7Å; V111-I115 HydrophobicContact CG1-CG1 4.35Å; V111-I115 WeakPolarHBondContact O-CG1 3.22Å; V111-I115 PolarHBondContact O-N 3.34Å; I112-I115 PolarHBondContact O-N 3.12Å; I115-S117 VanDerWaalsContact C-N 3.29Å; I115-S117 PolarHBondContact O-N 3.19Å; I115-V118 PolarHBondContact O-N 2.97Å; I115-K119 HydrophobicContact CG2-CD 4.46Å; I115-K119 HydrophobicContact CG2-CG 4.47Å; I115-K119 WeakPolarHBondContact O-CG 3.31Å; I115-K119 PolarHBondContact O-N 2.75Å
116K92.3Very high88.3Confident105 Ų10561.2 Ų61.246%0.45731%0.314SS..Hα-helixtrans-58.2-41.1174.8-73.5174-180173.40112I112 K119 K120I112-K116 HydrophobicContact CG2-CD 4.06Å; I112-K116 WeakPolarHBondContact O-CB 3.41Å; I112-K116 WeakPolarHBondContact O-CG 3.39Å; I112-K116 PolarHBondContact O-N 3.47Å; K116-K119 PolarHBondContact O-N 3Å; K116-K120 PolarHBondContact O-N 3.05Å
117S91.8Very high86.8Confident71 Ų7163.8 Ų63.850%0.49732%0.32SS..Hα-helixtrans-65.8-43.7177-58.70000111.8N113 C114 I115 K120 L121N113-S117 WeakPolarHBondContact O-CB 3.48Å; N113-S117 PolarHBondContact O-N 3.3Å; N113-S117 PolarHBondContact O-OG 2.89Å; C114-S117 WeakPolarHBondContact O-CB 3.24Å; C114-S117 PolarHBondContact O-N 3.02Å; I115-S117 VanDerWaalsContact C-N 3.29Å; I115-S117 PolarHBondContact O-N 3.19Å; S117-K120 WeakPolarHBondContact O-CB 3.35Å; S117-K120 PolarHBondContact O-N 3.34Å; S117-L121 WeakPolarHBondContact O-CG 3.17Å; S117-L121 PolarHBondContact O-N 2.89Å
118V90.2Very high84.7Confident6 Ų666 Ų664%0.03633%0.333CS..Hα-helixtrans-62.9-43.6175.2167.70000111.6I21 Y59 I76 C114 I115 K120 L121 L122I21-V118 HydrophobicContact CD1-CG2 4.13Å; Y59-V118 HydrophobicContact CD1-CB 4.43Å; Y59-V118 HydrophobicContact CD1-CG1 3.4Å; Y59-V118 HydrophobicContact CD1-CG2 4.12Å; Y59-V118 HydrophobicContact CD2-CG1 3.48Å; Y59-V118 VanDerWaalsContact CD2-CG1 3.48Å; Y59-V118 HydrophobicContact CE1-CG1 3.75Å; Y59-V118 HydrophobicContact CE1-CG2 4.11Å; Y59-V118 HydrophobicContact CE2-CG1 3.85Å; Y59-V118 HydrophobicContact CG-CG1 3.23Å; I76-V118 HydrophobicContact CD1-CG1 4.35Å; C114-V118 WeakPolarHBondContact O-CG2 3.38Å; C114-V118 PolarHBondContact O-N 3.44Å; I115-V118 PolarHBondContact O-N 2.97Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 3.04Å; V118-L121 WeakPolarHBondContact O-CB 3.46Å; V118-L121 PolarHBondContact O-N 3.4Å; V118-L121 VanDerWaalsContact O-N 3.16Å; V118-L122 HydrophobicContact CG1-CD1 4.35Å; V118-L122 PolarHBondContact O-N 2.96Å
119K88.2Confident82.3Confident51 Ų5168.4 Ų68.422%0.22236%0.363CS..Hα-helixtrans-59.1-41.8173.9-78.7-175.762.8172.90112I76 F80 D81 I115 K116 L121 L122 F123I76-K119 HydrophobicContact CG2-CG 4.09Å; F80-K119 HydrophobicContact CD1-CD 4.34Å; F80-K119 WeakPolarHBondContact O-CD 3.49Å; F80-K119 WeakPolarHBondContact O-CE 3.11Å; F80-K119 PolarHBondContact O-NZ 2.94Å; D81-K119 IonicContact OD1-NZ 3.63Å; D81-K119 PolarHBondContact OD1-NZ 3.39Å; I115-K119 HydrophobicContact CG2-CD 4.46Å; I115-K119 HydrophobicContact CG2-CG 4.47Å; I115-K119 WeakPolarHBondContact O-CG 3.31Å; I115-K119 PolarHBondContact O-N 2.75Å; K116-K119 PolarHBondContact O-N 3Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.84Å; K119-L122 WeakPolarHBondContact O-CB 3.2Å; K119-L122 PolarHBondContact O-N 3.37Å; K119-F123 WeakPolarHBondContact O-CB 3.31Å; K119-F123 PolarHBondContact O-N 3.34Å
120K87.4Confident79.5Confident162 Ų16272.2 Ų72.270%0.70439%0.385SS*.Hα-helixtrans-62-41.3175.8-172.8177.8179.3179.80111.4K116 S117 V118 F123 W124K116-K120 PolarHBondContact O-N 3.05Å; S117-K120 WeakPolarHBondContact O-CB 3.35Å; S117-K120 PolarHBondContact O-N 3.34Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 3.04Å; K120-F123 PolarHBondContact O-N 2.64Å; K120-W124 WeakPolarHBondContact O-CB 3.34Å; K120-W124 PolarHBondContact O-N 3.23Å
121L85.1Confident76.4Confident79 Ų7975.8 Ų75.841%0.41440%0.403SS..Hα-helixtrans-63.3-45.8174-70.1173.3000111.7S117 V118 K119 F123 W124 F125S117-L121 WeakPolarHBondContact O-CG 3.17Å; S117-L121 PolarHBondContact O-N 2.89Å; V118-L121 WeakPolarHBondContact O-CB 3.46Å; V118-L121 PolarHBondContact O-N 3.4Å; V118-L121 VanDerWaalsContact O-N 3.16Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.84Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.13Å; L121-W124 PolarHBondContact O-N 2.99Å; L121-F125 HydrophobicContact CB-CD2 4.38Å; L121-F125 HydrophobicContact CB-CE2 4.31Å; L121-F125 HydrophobicContact CD2-CE2 4.39Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 3.25Å
122L82.9Confident73.5Confident47 Ų4782.2 Ų82.225%0.24644%0.442CS..Hα-helixtrans-56.7-43.6175.4-78173.2000112Y59 I76 V118 K119 G126Y59-L122 HydrophobicContact CD2-CD1 3.89Å; Y59-L122 HydrophobicContact CD2-CD2 3.67Å; Y59-L122 HydrophobicContact CD2-CG 3.75Å; Y59-L122 HydrophobicContact CE2-CD1 4.46Å; Y59-L122 HydrophobicContact CE2-CD2 3.68Å; Y59-L122 HydrophobicContact CE2-CG 3.83Å; I76-L122 HydrophobicContact CG2-CD1 4.37Å; I76-L122 WeakPolarHBondContact O-CD1 3.37Å; V118-L122 HydrophobicContact CG1-CD1 4.35Å; V118-L122 PolarHBondContact O-N 2.96Å; K119-L122 WeakPolarHBondContact O-CB 3.2Å; K119-L122 PolarHBondContact O-N 3.37Å; L122-G126 PolarHBondContact O-N 3.41Å
123F78.6Confident70.2Confident90 Ų9089.2 Ų89.240%0.39549%0.485SS..Hα-helixtrans-65.9-42.5176.5-173.6-104.4000112.2K119 K120 L121 G126 N127K119-F123 WeakPolarHBondContact O-CB 3.31Å; K119-F123 PolarHBondContact O-N 3.34Å; K120-F123 PolarHBondContact O-N 2.64Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.13Å; F123-G126 PolarHBondContact O-N 3.19Å; F123-N127 VanDerWaalsContact CE1-ND2 3.28Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.36Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.38Å; F123-N127 PolarHBondContact O-N 3.38Å
124W77.6Confident66.9Low147 Ų14788.6 Ų88.656%0.55750%0.5SS*.Hα-helixtrans-65.6-44.9179.9-162.275.4000112.1K120 L121 G126 N127 N128K120-W124 WeakPolarHBondContact O-CB 3.34Å; K120-W124 PolarHBondContact O-N 3.23Å; L121-W124 PolarHBondContact O-N 2.99Å; W124-G126 VanDerWaalsContact C-N 3.27Å; W124-G126 PolarHBondContact O-N 2.91Å; W124-N127 PolarHBondContact O-N 3.39Å; W124-N128 WeakPolarHBondContact CH2-ND2 3.4Å; W124-N128 WeakPolarHBondContact CZ2-ND2 3.47Å; W124-N128 WeakPolarHBondContact CZ3-ND2 3.47Å; W124-N128 WeakPolarHBondContact O-CB 3.32Å; W124-N128 VanDerWaalsContact O-CG 3.24Å; W124-N128 PolarHBondContact O-N 2.92Å; W124-N128 PolarHBondContact O-OD1 2.89Å
125F72.6Confident63.8Low121 Ų12197.1 Ų97.153%0.53154%0.541SS..Hα-helixtrans-66.8-28173.4-72.9-63.7000113.1L121L121-F125 HydrophobicContact CB-CD2 4.38Å; L121-F125 HydrophobicContact CB-CE2 4.31Å; L121-F125 HydrophobicContact CD2-CE2 4.39Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 3.25Å
126G67.3Low60.6Low53 Ų53100.2 Ų100.255%0.54657%0.573SS.*Hα-helixtrans-70-36.5174.500000113.5L122 F123 W124L122-G126 PolarHBondContact O-N 3.41Å; F123-G126 PolarHBondContact O-N 3.19Å; W124-G126 VanDerWaalsContact C-N 3.27Å; W124-G126 PolarHBondContact O-N 2.91Å
127N60.5Low57.6Low89 Ų8999.3 Ų99.348%0.47659%0.585SS.*Hα-helixtrans-86.6-35.7-177.9-76.25.5000113.6F123 W124 G129 T130F123-N127 VanDerWaalsContact CE1-ND2 3.28Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.36Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.38Å; F123-N127 PolarHBondContact O-N 3.38Å; W124-N127 PolarHBondContact O-N 3.39Å; N127-G129 PolarHBondContact O-N 2.94Å; N127-G129 VanDerWaalsContact O-N 3.14Å; N127-T130 PolarHBondContact O-N 2.98Å
128N50.4Low54.3Low83 Ų83102 Ų10244%0.44460%0.602SS.*THydrogen-bonded Turntrans-74.2-1.3-175.2-68.76.3000114.4W124 T130W124-N128 WeakPolarHBondContact CH2-ND2 3.4Å; W124-N128 WeakPolarHBondContact CZ2-ND2 3.47Å; W124-N128 WeakPolarHBondContact CZ3-ND2 3.47Å; W124-N128 WeakPolarHBondContact O-CB 3.32Å; W124-N128 VanDerWaalsContact O-CG 3.24Å; W124-N128 PolarHBondContact O-N 2.92Å; W124-N128 PolarHBondContact O-OD1 2.89Å; N128-T130 PolarHBondContact O-N 2.99Å
129G43.1Very low51.2Low69 Ų69106.5 Ų106.571%0.71163%0.634SS**THydrogen-bonded Turntrans-78.25173.300000114.8N127N127-G129 PolarHBondContact O-N 2.94Å; N127-G129 VanDerWaalsContact O-N 3.14Å
130T35.2Very low48.7Very low122 Ų122111.3 Ų111.375%0.74866%0.662SS**  trans-138.375.5-173-8.10000111.6N127 N128N127-T130 PolarHBondContact O-N 2.98Å; N128-T130 PolarHBondContact O-N 2.99Å
131E30.8Very low46.3Very low186 Ų186110.6 Ų110.687%0.86967%0.671SS**  trans-120.197.5162-76.9-168.4166.600109.4
132V33.4Very low44Very low136 Ų136114.5 Ų114.582%0.82469%0.693SS**SBendtrans-149.8102.8140.9-90.90000109
133T26Very low41.9Very low147 Ų147116.9 Ų116.990%0.90272%0.719SS**  trans60.3107141.3-10.70000119
134G25.3Very low40Very low78 Ų78117.4 Ų117.480%0.80473%0.734SS**  trans162.878.8160.700000116.3
135M28.5Very low38.5Very low197 Ų197117.7 Ų117.797%0.9774%0.741SS**  trans-43.4144166.3-170.670.9143.400115
136G25.5Very low37.3Very low65 Ų65118.7 Ų118.767%0.6775%0.745SS**  trans146.780.2163.200000111.5
137A30.1Very low36.7Very low87 Ų87124.6 Ų124.672%0.71975%0.751SS**  57.6124.386.200000113.9
138C21.7Very low36.7Very low126 Ų126123.5 Ų123.585%0.85175%0.75SS**  trans61.5146.5162.457.80000118.3
139S25.8Very low38.1Very low102 Ų102123.3 Ų123.371%0.71375%0.749SS**  cis-171.4152.8-2330000107.3
140N35.6Very low39.8Very low151 Ų151120.1 Ų120.181%0.80772%0.716SS**  trans31.2111.6156.8-68.46.6000119.9
141V35.6Very low41.8Very low147 Ų147118.6 Ų118.689%0.89170%0.701SS**  -153139.4129.4-84.70000110.6
142N38.2Very low44.4Very low162 Ų162112.1 Ų112.187%0.86667%0.674SS**  trans-65164.2-172.9-60.2-38.6000113.5
143A38.6Very low46.9Very low97 Ų97108.7 Ų108.780%0.80265%0.651SS**  trans79.659-176.400000114.2E145A143-E145 VanDerWaalsContact C-N 3.27Å; A143-E145 PolarHBondContact O-N 2.85Å
144S39.2Very low49.6Very low101 Ų101104.5 Ų104.571%0.70662%0.623SS**  trans-41.298.5141.4170.20000108.7K146S144-K146 PolarHBondContact O-N 3.36Å
145E45.4Very low52.4Low152 Ų152103.7 Ų103.771%0.7161%0.605SS**  trans-67.470.4158.6-151.9148.3-148.600104.7A143 R147 K282A143-E145 VanDerWaalsContact C-N 3.27Å; A143-E145 PolarHBondContact O-N 2.85Å; E145-R147 PolarHBondContact O-N 2.88Å; E145-K282 IonicContact OE1-NZ 3.65Å; E145-K282 PolarHBondContact OE1-NZ 2.91Å; E145-K282 VanDerWaalsContact OE1-NZ 3.17Å; E145-K282 IonicContact OE2-NZ 2.66Å; E145-K282 PolarHBondContact OE2-NZ 3.36Å
146K47.5Very low55.2Low142 Ų14298.5 Ų98.562%0.61758%0.581SS**  trans-54.1114.6-173.2-170.1178.3-177.3-177.90104.5S144 S148S144-K146 PolarHBondContact O-N 3.36Å; K146-S148 WeakPolarHBondContact O-CA 3.45Å; K146-S148 PolarHBondContact O-N 2.85Å
147R53.6Low58.1Low178 Ų17898.1 Ų98.167%0.67257%0.572SS**  trans-31.7110.2168.8-77.6177.2163.8168.7-5.3106.4E145 D149E145-R147 PolarHBondContact O-N 2.88Å; R147-D149 PolarHBondContact O-N 2.89Å
148S62.2Low60.7Low65 Ų65100.1 Ų100.146%0.45556%0.562SS.*  trans-6988.1-16855.10000107.1K146 I150K146-S148 WeakPolarHBondContact O-CA 3.45Å; K146-S148 PolarHBondContact O-N 2.85Å; S148-I150 PolarHBondContact O-N 2.84Å
149D78.2Confident63.8Low79 Ų79100 Ų10042%0.42255%0.548SS..  trans-50.1134.2172.5-69.3-34000106.6R147 M151 T152 L153R147-D149 PolarHBondContact O-N 2.89Å; D149-M151 PolarHBondContact O-N 3.02Å; D149-T152 HydrophobicContact CB-CG2 4.29Å; D149-T152 PolarHBondContact N-OG1 3.22Å; D149-T152 PolarHBondContact O-N 3.21Å; D149-T152 PolarHBondContact O-OG1 2.96Å; D149-L153 PolarHBondContact O-N 2.84Å; D149-L153 VanDerWaalsContact O-N 3.16Å
150I79.7Confident66.6Low3 Ų3102.5 Ų102.52%0.01555%0.547CS..Hα-helixtrans-50.1-34.2-176.2-172172.4000112.1D81 V83 L90 K92 S148 L153 L154D81-I150 WeakPolarHBondContact OD2-CG2 3.5Å; D81-I150 PolarHBondContact OD2-N 2.82Å; V83-I150 HydrophobicContact CB-CG2 3.99Å; V83-I150 HydrophobicContact CG1-CG2 3.26Å; V83-I150 HydrophobicContact CG2-CD1 4.3Å; V83-I150 HydrophobicContact CG2-CG2 3.57Å; L90-I150 HydrophobicContact CB-CD1 4.4Å; K92-I150 HydrophobicContact CB-CD1 3.81Å; K92-I150 HydrophobicContact CB-CG1 4.23Å; S148-I150 PolarHBondContact O-N 2.84Å; I150-L153 WeakPolarHBondContact O-CB 3.27Å; I150-L153 PolarHBondContact O-N 2.86Å; I150-L154 HydrophobicContact CG1-CD1 4.17Å; I150-L154 HydrophobicContact CG1-CG 4.38Å; I150-L154 VanDerWaalsContact O-CG 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.01Å
151M77.5Confident69.1Low90 Ų90100.9 Ų100.944%0.44353%0.533SS..Hα-helixtrans-62.1-44.7174.9-66.5-59.7-71.400113.3V83 D149 L153 L154 S155V83-M151 HydrophobicContact CB-SD 4.4Å; V83-M151 HydrophobicContact CG1-CG 4.08Å; V83-M151 HydrophobicContact CG1-SD 4.32Å; V83-M151 HydrophobicContact CG2-SD 4.09Å; D149-M151 PolarHBondContact O-N 3.02Å; M151-L153 VanDerWaalsContact C-N 3.28Å; M151-L153 PolarHBondContact O-N 2.8Å; M151-L154 PolarHBondContact O-N 3.46Å; M151-S155 WeakPolarHBondContact O-CB 3.41Å; M151-S155 PolarHBondContact O-N 3.49Å; M151-S155 PolarHBondContact O-OG 2.98Å; M151-S155 VanDerWaalsContact O-OG 3.08Å
152T85Confident71.6Confident49 Ų4997.7 Ų97.730%0.30151%0.51SS..Hα-helixtrans-66-35.517862.20000111.3D149 N156D149-T152 HydrophobicContact CB-CG2 4.29Å; D149-T152 PolarHBondContact N-OG1 3.22Å; D149-T152 PolarHBondContact O-N 3.21Å; D149-T152 PolarHBondContact O-OG1 2.96Å; T152-N156 VanDerWaalsContact O-CB 3.27Å; T152-N156 WeakPolarHBondContact O-CB 3.45Å; T152-N156 PolarHBondContact O-N 2.75Å; T152-N156 PolarHBondContact O-ND2 3.41Å; T152-N156 PolarHBondContact O-OD1 3.3Å
153L86.6Confident73.8Confident64 Ų6492.5 Ų92.534%0.33549%0.489SS..Hα-helixtrans-64.5-48.5174.8-176.273.4000111.5K92 D149 I150 M151 N156 A157K92-L153 HydrophobicContact CD-CD2 3.63Å; D149-L153 PolarHBondContact O-N 2.84Å; D149-L153 VanDerWaalsContact O-N 3.16Å; I150-L153 WeakPolarHBondContact O-CB 3.27Å; I150-L153 PolarHBondContact O-N 2.86Å; M151-L153 VanDerWaalsContact C-N 3.28Å; M151-L153 PolarHBondContact O-N 2.8Å; L153-N156 PolarHBondContact O-N 3.11Å; L153-A157 WeakPolarHBondContact O-CB 3.3Å; L153-A157 PolarHBondContact O-N 3.2Å
154L82.7Confident75.8Confident59 Ų5993.5 Ų93.531%0.30948%0.478SS..Hα-helixtrans-63.9-44179.4-68.9173.4000111.6L90 I150 M151 N156 A157 Y158L90-L154 HydrophobicContact CD1-CD1 4.16Å; I150-L154 HydrophobicContact CG1-CD1 4.17Å; I150-L154 HydrophobicContact CG1-CG 4.38Å; I150-L154 VanDerWaalsContact O-CG 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.01Å; M151-L154 PolarHBondContact O-N 3.46Å; L154-N156 PolarHBondContact O-N 3.48Å; L154-A157 PolarHBondContact O-N 3.25Å; L154-Y158 WeakPolarHBondContact O-CB 3.33Å; L154-Y158 PolarHBondContact O-N 3.14Å
155S83.8Confident77.5Confident62 Ų6294.8 Ų94.843%0.43447%0.471SS..Hα-helixtrans-61.7-42.9176-64.90000112M151 Y158 Q159M151-S155 WeakPolarHBondContact O-CB 3.41Å; M151-S155 PolarHBondContact O-N 3.49Å; M151-S155 PolarHBondContact O-OG 2.98Å; M151-S155 VanDerWaalsContact O-OG 3.08Å; S155-Y158 PolarHBondContact O-N 2.85Å; S155-Q159 WeakPolarHBondContact O-CB 3.37Å; S155-Q159 WeakPolarHBondContact O-CG 3.42Å; S155-Q159 PolarHBondContact O-N 3.49Å
156N87.8Confident78.5Confident87 Ų8791.5 Ų91.547%0.46546%0.464SS..Hα-helixtrans-66.6-38.8177.7-70.3-12.9000111.8T152 L153 L154 K160T152-N156 VanDerWaalsContact O-CB 3.27Å; T152-N156 WeakPolarHBondContact O-CB 3.45Å; T152-N156 PolarHBondContact O-N 2.75Å; T152-N156 PolarHBondContact O-ND2 3.41Å; T152-N156 PolarHBondContact O-OD1 3.3Å; L153-N156 PolarHBondContact O-N 3.11Å; L154-N156 PolarHBondContact O-N 3.48Å; N156-K160 WeakPolarHBondContact O-CB 3.48Å; N156-K160 VanDerWaalsContact O-CG 3.29Å; N156-K160 WeakPolarHBondContact O-CG 3.41Å; N156-K160 PolarHBondContact O-N 2.88Å
157A84.9Confident79.1Confident57 Ų5790.1 Ų90.147%0.47147%0.468SS..Hα-helixtrans-64.7-43.8175.600000111.4L153 L154 K160 F161L153-A157 WeakPolarHBondContact O-CB 3.3Å; L153-A157 PolarHBondContact O-N 3.2Å; L154-A157 PolarHBondContact O-N 3.25Å; A157-K160 PolarHBondContact O-N 2.92Å; A157-F161 PolarHBondContact O-N 3.42Å
158Y84.5Confident79Confident129 Ų12990.1 Ų90.151%0.50647%0.473SS..Hα-helixtrans-63.3-45.6176.9-176.6-111.2000112.2L154 S155 K160 F161 L162L154-Y158 WeakPolarHBondContact O-CB 3.33Å; L154-Y158 PolarHBondContact O-N 3.14Å; S155-Y158 PolarHBondContact O-N 2.85Å; Y158-K160 VanDerWaalsContact C-N 3.31Å; Y158-K160 PolarHBondContact O-N 3.09Å; Y158-F161 WeakPolarHBondContact O-CB 3.41Å; Y158-F161 PolarHBondContact O-N 2.92Å; Y158-L162 HydrophobicContact CD1-CD1 4Å; Y158-L162 HydrophobicContact CE1-CD1 3.49Å; Y158-L162 VanDerWaalsContact CE1-CD1 3.49Å; Y158-L162 HydrophobicContact CE1-CG 4.18Å; Y158-L162 HydrophobicContact CE2-CD2 4.48Å; Y158-L162 HydrophobicContact CE2-CG 4.48Å; Y158-L162 WeakPolarHBondContact O-CG 3.49Å; Y158-L162 PolarHBondContact O-N 3.29Å
159Q86.8Confident78Confident123 Ų12391.3 Ų91.358%0.57548%0.481SS*.Hα-helixtrans-61-39.8175.8-75.7179.3-30.500112.4S155 L162 A163S155-Q159 WeakPolarHBondContact O-CB 3.37Å; S155-Q159 WeakPolarHBondContact O-CG 3.42Å; S155-Q159 PolarHBondContact O-N 3.49Å; Q159-L162 PolarHBondContact O-N 3.19Å; Q159-A163 WeakPolarHBondContact O-CB 3.19Å; Q159-A163 PolarHBondContact O-N 2.97Å
160K85.6Confident76Confident156 Ų15696.8 Ų96.868%0.67850%0.504SS*.Hα-helixtrans-63.2-43.8174.9-78.5179.5176-170.90112.1N156 A157 Y158 L162 A163 E164N156-K160 WeakPolarHBondContact O-CB 3.48Å; N156-K160 VanDerWaalsContact O-CG 3.29Å; N156-K160 WeakPolarHBondContact O-CG 3.41Å; N156-K160 PolarHBondContact O-N 2.88Å; A157-K160 PolarHBondContact O-N 2.92Å; Y158-K160 VanDerWaalsContact C-N 3.31Å; Y158-K160 PolarHBondContact O-N 3.09Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.41Å; K160-A163 PolarHBondContact O-N 3.35Å; K160-E164 WeakPolarHBondContact O-CB 3.17Å; K160-E164 PolarHBondContact O-N 3.5Å
161F88.4Confident73.9Confident117 Ų117102.5 Ų102.551%0.51354%0.544SS..Hα-helixtrans-59.8-43.4176.1175.2-98.9000111.9A157 Y158 A163 E164 K165A157-F161 PolarHBondContact O-N 3.42Å; Y158-F161 WeakPolarHBondContact O-CB 3.41Å; Y158-F161 PolarHBondContact O-N 2.92Å; F161-A163 PolarHBondContact O-N 2.86Å; F161-E164 PolarHBondContact O-N 3.23Å; F161-K165 WeakPolarHBondContact O-CB 3.49Å; F161-K165 PolarHBondContact O-N 3Å
162L88.7Confident71.9Confident80 Ų80103 Ų10342%0.41956%0.563SS.*Hα-helixtrans-63.7-40.4175.8-67.2179.7000112.5Y158 Q159 K160 K165 S166Y158-L162 HydrophobicContact CD1-CD1 4Å; Y158-L162 HydrophobicContact CE1-CD1 3.49Å; Y158-L162 VanDerWaalsContact CE1-CD1 3.49Å; Y158-L162 HydrophobicContact CE1-CG 4.18Å; Y158-L162 HydrophobicContact CE2-CD2 4.48Å; Y158-L162 HydrophobicContact CE2-CG 4.48Å; Y158-L162 WeakPolarHBondContact O-CG 3.49Å; Y158-L162 PolarHBondContact O-N 3.29Å; Q159-L162 PolarHBondContact O-N 3.19Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.41Å; L162-K165 PolarHBondContact O-N 3.45Å; L162-S166 PolarHBondContact O-N 3.4Å
163A82.7Confident69.3Low52 Ų52107.9 Ų107.943%0.4359%0.587SS.*Hα-helixtrans-69.2-33.817700000112.7Q159 K160 F161 S166 T167Q159-A163 WeakPolarHBondContact O-CB 3.19Å; Q159-A163 PolarHBondContact O-N 2.97Å; K160-A163 PolarHBondContact O-N 3.35Å; F161-A163 PolarHBondContact O-N 2.86Å; A163-S166 PolarHBondContact O-OG 3.23Å; A163-T167 WeakPolarHBondContact O-CG2 3.43Å; A163-T167 PolarHBondContact O-N 2.98Å; A163-T167 PolarHBondContact O-OG1 3.31Å
164E80.9Confident66.9Low119 Ų119112.5 Ų112.556%0.55661%0.611SS**Hα-helixtrans-69.3-40.6173.9-172.9170.7-178.700110.9K160 F161 S166 T167 K168K160-E164 WeakPolarHBondContact O-CB 3.17Å; K160-E164 PolarHBondContact O-N 3.5Å; F161-E164 PolarHBondContact O-N 3.23Å; E164-S166 VanDerWaalsContact C-N 3.25Å; E164-S166 PolarHBondContact O-N 3.02Å; E164-T167 PolarHBondContact O-N 3.4Å; E164-T167 VanDerWaalsContact O-N 3.09Å; E164-T167 PolarHBondContact O-OG1 3.03Å; E164-K168 PolarHBondContact O-N 2.93Å
165K75.3Confident64.8Low128 Ų128112.5 Ų112.556%0.55763%0.625SS**Hα-helixtrans-62.6-30.8177.1-164.7170.4-178.7178.10112.8F161 L162F161-K165 WeakPolarHBondContact O-CB 3.49Å; F161-K165 PolarHBondContact O-N 3Å; L162-K165 PolarHBondContact O-N 3.45Å
166S67.2Low62.8Low83 Ų83117.8 Ų117.858%0.5865%0.648SS**Hα-helixtrans-78.9-18175.763.20000114.4L162 A163 E164L162-S166 PolarHBondContact O-N 3.4Å; A163-S166 PolarHBondContact O-OG 3.23Å; E164-S166 VanDerWaalsContact C-N 3.25Å; E164-S166 PolarHBondContact O-N 3.02Å
167T58.3Low60.7Low113 Ų113120 Ų12069%0.69366%0.66SS**Hα-helixtrans-93.6-12.6-177.855.30000114.2A163 E164A163-T167 WeakPolarHBondContact O-CG2 3.43Å; A163-T167 PolarHBondContact O-N 2.98Å; A163-T167 PolarHBondContact O-OG1 3.31Å; E164-T167 PolarHBondContact O-N 3.4Å; E164-T167 VanDerWaalsContact O-N 3.09Å; E164-T167 PolarHBondContact O-OG1 3.03Å
168K52.3Low58.9Low178 Ų178123.3 Ų123.377%0.77468%0.675SS**SBendtrans-104.94.2-175.6-128.5176.1-1731740115.9E164E164-K168 PolarHBondContact O-N 2.93Å
169S42.1Very low57.7Low90 Ų90123.9 Ų123.963%0.62968%0.68SS**  trans-108.386.2170.953.70000109.9
170E35.4Very low56.2Low193 Ų193121.4 Ų121.490%0.90267%0.674SS**  trans-73.7123.9164.1-163.3155.1-169.500108.3
171S34.9Very low55.2Low123 Ų123119.5 Ų119.586%0.8668%0.675SS**  trans79.979.6168-134.20000118.7
172A35.7Very low54.2Low102 Ų102120.8 Ų120.884%0.84368%0.683SS**  trans-160.3128130.900000109.9
173N30.8Very low53.4Low151 Ų151121 Ų12181%0.80768%0.681SS**  trans-71.4144.4-170.4-111.4-28.3000113.9
174I37.1Very low52.7Low160 Ų160123.1 Ų123.182%0.82169%0.685SS**  trans70.8114144.4-55.2161.4000117.6
175G37.1Very low52.2Low59 Ų59122.2 Ų122.261%0.60868%0.684SS**  trans154.5104.1153.400000112.7D177G175-D177 VanDerWaalsContact C-N 3.25Å; G175-D177 PolarHBondContact O-N 3.31Å
176N43.2Very low51.7Low173 Ų173119.7 Ų119.793%0.92568%0.682SS**  trans-67.381.9170.5-67.7-28.8000109.6
177D42Very low51.6Low134 Ų134119.9 Ų119.972%0.71768%0.676SS**  trans-102.6106.5172.5-102.2-29.8000110.7G175 F179G175-D177 VanDerWaalsContact C-N 3.25Å; G175-D177 PolarHBondContact O-N 3.31Å; D177-F179 PolarHBondContact O-N 3.41Å
178T47Very low52.1Low127 Ų127116.6 Ų116.678%0.77966%0.66SS**  trans-52.5111.8155.624.80000108.6T180T178-T180 PolarHBondContact O-N 2.91Å
179F59.4Low52.5Low141 Ų141112 Ų11262%0.61864%0.644SS**  trans-52127.3178.5-85.6-94.9000111.2D177 E183D177-F179 PolarHBondContact O-N 3.41Å; F179-E183 WeakPolarHBondContact CA-OE2 3.5Å; F179-E183 HydrophobicContact CD1-CB 3.54Å; F179-E183 HydrophobicContact CD1-CG 4.22Å; F179-E183 WeakPolarHBondContact CD1-OE2 3.38Å; F179-E183 HydrophobicContact CE1-CB 4.19Å
180T55.9Low53.4Low71 Ų71112.9 Ų112.944%0.43664%0.641SS.*  trans-72.8158.5174.567.20000109.9T178 E182 E183 L184T178-T180 PolarHBondContact O-N 2.91Å; T180-E182 PolarHBondContact O-N 3.48Å; T180-E183 PolarHBondContact N-OE2 2.72Å; T180-E183 PolarHBondContact O-N 3.36Å; T180-L184 PolarHBondContact O-N 3.38Å
181T64.7Low54.9Low115 Ų115107.2 Ų107.271%0.70663%0.627SS**Hα-helixtrans-55.6-26.3178.245.50000113N185T181-N185 WeakPolarHBondContact O-CB 3.32Å; T181-N185 PolarHBondContact O-N 2.71Å
182E67.1Low55.9Low145 Ų145108.1 Ų108.168%0.67862%0.62SS**Hα-helixtrans-71.5-39179.2-65.5166.9-17300111.7T180 N185 C186T180-E182 PolarHBondContact O-N 3.48Å; E182-N185 PolarHBondContact O-N 2.99Å; E182-C186 WeakPolarHBondContact O-CB 3.38Å; E182-C186 PolarHBondContact O-N 2.91Å; E182-C186 PolarHBondContact O-SG 3.3Å
183E72.9Confident56.6Low83 Ų83109.1 Ų109.139%0.38861%0.611SS.*Hα-helixtrans-72.6-36.1176.9-62.1172.7135.400111.3F179 T180 N185 C186 L187F179-E183 WeakPolarHBondContact CA-OE2 3.5Å; F179-E183 HydrophobicContact CD1-CB 3.54Å; F179-E183 HydrophobicContact CD1-CG 4.22Å; F179-E183 WeakPolarHBondContact CD1-OE2 3.38Å; F179-E183 HydrophobicContact CE1-CB 4.19Å; T180-E183 PolarHBondContact N-OE2 2.72Å; T180-E183 PolarHBondContact O-N 3.36Å; E183-N185 VanDerWaalsContact C-N 3.31Å; E183-N185 PolarHBondContact O-N 3.39Å; E183-C186 PolarHBondContact O-N 3.19Å; E183-L187 WeakPolarHBondContact O-CB 3.28Å; E183-L187 PolarHBondContact O-N 3.44Å
184L67.2Low57Low97 Ų97108 Ų10851%0.50861%0.605SS.*Hα-helixtrans-62.1-40.2170.4-71.1175.7000111.6T180 L187 A188T180-L184 PolarHBondContact O-N 3.38Å; L184-L187 PolarHBondContact O-N 3.16Å; L184-A188 PolarHBondContact O-N 2.87Å
185N69.7Low57.1Low100 Ų100108.7 Ų108.754%0.53561%0.605SS.*Hα-helixtrans-71.5-37.8177.7-154.126.3000111.5T181 E182 E183 L187 A188 N189T181-N185 WeakPolarHBondContact O-CB 3.32Å; T181-N185 PolarHBondContact O-N 2.71Å; E182-N185 PolarHBondContact O-N 2.99Å; E183-N185 VanDerWaalsContact C-N 3.31Å; E183-N185 PolarHBondContact O-N 3.39Å; N185-L187 VanDerWaalsContact C-N 3.32Å; N185-L187 PolarHBondContact O-N 2.83Å; N185-A188 PolarHBondContact O-N 3.41Å; N185-N189 WeakPolarHBondContact O-CB 3.43Å; N185-N189 PolarHBondContact O-N 3Å; N185-N189 PolarHBondContact O-ND2 2.91Å
186C65.7Low57.4Low75 Ų75109.9 Ų109.951%0.50761%0.609SS.*Hα-helixtrans-62-40171.3-750000111.8E182 E183 N189 L190E182-C186 WeakPolarHBondContact O-CB 3.38Å; E182-C186 PolarHBondContact O-N 2.91Å; E182-C186 PolarHBondContact O-SG 3.3Å; E183-C186 PolarHBondContact O-N 3.19Å; C186-N189 PolarHBondContact O-N 2.94Å; C186-L190 WeakPolarHBondContact O-CB 3.4Å; C186-L190 PolarHBondContact O-N 3.37Å
187L66.1Low56.9Low87 Ų87111.4 Ų111.446%0.45561%0.611SS.*Hα-helixtrans-66.4-40.2177.1-154.5108000111.6E183 L184 N185 L190 A191E183-L187 WeakPolarHBondContact O-CB 3.28Å; E183-L187 PolarHBondContact O-N 3.44Å; L184-L187 PolarHBondContact O-N 3.16Å; N185-L187 VanDerWaalsContact C-N 3.32Å; N185-L187 PolarHBondContact O-N 2.83Å; L187-L190 PolarHBondContact O-N 2.97Å; L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 3.22Å
188A68.7Low56.6Low45 Ų45114.6 Ų114.637%0.37262%0.618SS.*Hα-helixtrans-63.2-44.1173.300000111.3L184 N185 A191 M192L184-A188 PolarHBondContact O-N 2.87Å; N185-A188 PolarHBondContact O-N 3.41Å; A188-A191 PolarHBondContact O-N 2.85Å; A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.31Å; A188-M192 PolarHBondContact O-N 2.92Å; A188-M192 VanDerWaalsContact O-N 3.07Å
189N59.3Low55.7Low80 Ų80116.9 Ų116.943%0.42862%0.62SS.*Hα-helixtrans-66.4-38.7177.4-68.5-26000112.3N185 C186 M192 N193N185-N189 WeakPolarHBondContact O-CB 3.43Å; N185-N189 PolarHBondContact O-N 3Å; N185-N189 PolarHBondContact O-ND2 2.91Å; C186-N189 PolarHBondContact O-N 2.94Å; N189-M192 PolarHBondContact O-N 3.27Å; N189-N193 VanDerWaalsContact O-CB 3.23Å; N189-N193 WeakPolarHBondContact O-CB 3.49Å; N189-N193 PolarHBondContact O-N 3.48Å
190L62.6Low54.3Low109 Ų109116.1 Ų116.157%0.57163%0.627SS**Hα-helixtrans-63.2-40.2173.3-92160000112.1C186 L187 M192 N193 N194C186-L190 WeakPolarHBondContact O-CB 3.4Å; C186-L190 PolarHBondContact O-N 3.37Å; L187-L190 PolarHBondContact O-N 2.97Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.3Å; L190-N193 PolarHBondContact O-N 2.85Å; L190-N194 PolarHBondContact O-N 2.87Å
191A66.2Low53.1Low74 Ų74119.3 Ų119.361%0.61264%0.641SS**Hα-helixtrans-65.4-33.3176.100000112.3L187 A188L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 3.22Å; A188-A191 PolarHBondContact O-N 2.85Å
192M56.7Low51.2Low143 Ų143118.3 Ų118.370%0.70464%0.638SS**Hα-helixtrans-81.5-28.9176.5-62.6-61.9172.500112.9A188 N189 L190A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.31Å; A188-M192 PolarHBondContact O-N 2.92Å; A188-M192 VanDerWaalsContact O-N 3.07Å; N189-M192 PolarHBondContact O-N 3.27Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.3Å
193N49.5Very low49.4Very low123 Ų123116.5 Ų116.566%0.65864%0.642SS**Hα-helixtrans-89.3-6.9-175.4-72.6-8.2000114.8N189 L190 Q195N189-N193 VanDerWaalsContact O-CB 3.23Å; N189-N193 WeakPolarHBondContact O-CB 3.49Å; N189-N193 PolarHBondContact O-N 3.48Å; L190-N193 PolarHBondContact O-N 2.85Å; N193-Q195 PolarHBondContact O-N 3.45Å
194N39.4Very low47.5Very low127 Ų127119.2 Ų119.268%0.67966%0.664SS**  trans-73.435.7170.5-80.6-18.3000113L190 A196L190-N194 PolarHBondContact O-N 2.87Å; N194-A196 PolarHBondContact O-N 2.83Å
195Q38.5Very low45.7Very low174 Ų174119.2 Ų119.281%0.81367%0.669SS**SBendtrans-83.292.3166.2-132.8172-58.400107.9N193N193-Q195 PolarHBondContact O-N 3.45Å
196A44.2Very low43.5Very low85 Ų85121.2 Ų121.270%0.70268%0.68SS**  trans54.683156.600000117N194 K198N194-A196 PolarHBondContact O-N 2.83Å; A196-K198 VanDerWaalsContact C-N 3.32Å; A196-K198 PolarHBondContact O-N 3.16Å
197E33.4Very low41.5Very low205 Ų205123.2 Ų123.296%0.95869%0.69SS**  trans-73.296.3140.4-70.2-168.9170.500107.2
198K35.1Very low39.5Very low201 Ų201127.5 Ų127.587%0.87471%0.706SS**  trans-105.5121.9163.8-148.6-180-174.6-174.10107.2A196A196-K198 VanDerWaalsContact C-N 3.32Å; A196-K198 PolarHBondContact O-N 3.16Å
199E27.3Very low37.5Very low174 Ų174130.7 Ų130.781%0.81372%0.716SS**  trans-61.9161.1-175.3-56.5179.4136.500114.8
200V30Very low36.1Very low126 Ų126131.1 Ų131.176%0.76473%0.726SS**  trans77119.4157.7-157.80000114.9
201D30.2Very low34.3Very low138 Ų138134.8 Ų134.874%0.73874%0.739SS**  cis-150.2148.942.5-158.5-2.8000113
202S25.5Very low32.5Very low93 Ų93136.9 Ų136.965%0.6575%0.75SS**  trans-65139.4169.452.90000112.8
203S30Very low31Very low107 Ų107135.3 Ų135.375%0.74875%0.753SS**  trans164106135.9-75.70000113.9
204V32.2Very low30Very low140 Ų140137.4 Ų137.485%0.84876%0.763SS**  trans88.5137.6137.6-169.50000118.3
205P30Very low29.5Very low97 Ų97136.4 Ų136.463%0.6377%0.766SS**  trans-113.7175.9-15441.8-28.8000115
206N23.9Very low28.9Very low143 Ų143131.9 Ų131.977%0.76577%0.767SS**  trans87.5117.1143.5-81.3-0.7000120.6
207T22.7Very low28.1Very low117 Ų117137.1 Ų137.172%0.71878%0.777SS**  88.597.9124.9-50.60000117.7
208F24.8Very low27.8Very low177 Ų177136.2 Ų136.278%0.77677%0.772SS**  92.2142.4121.6-151.2-114.6000119.2
209D26.3Very low27.2Very low111 Ų111133.5 Ų133.559%0.59477%0.772SS**  trans88.1103.5158.9-83.9-26.4000122.6
210S29Very low27.1Very low89 Ų89133.6 Ų133.662%0.62277%0.773SS**  80.1104.9113.1-67.60000119.8
211H26.1Very low26.7Very low186 Ų186133.5 Ų133.586%0.86177%0.773SS**  33.2107.2128.7-64.2-84.3000118.6
212S27Very low26.5Very low119 Ų119132.7 Ų132.783%0.83278%0.778SS**  -173.9131.2119.354.90000111.7
213S25.4Very low26.4Very low110 Ų110138.8 Ų138.877%0.76979%0.788SS**  trans-34.8139163.9-43.20000115.3
214L29.9Very low26.2Very low166 Ų166139.8 Ų139.887%0.86979%0.79SS**  -164.3145.7115.8-123.896.7000111.3
215S29Very low25.7Very low106 Ų106139.4 Ų139.474%0.74178%0.783SS**  trans-48139.2-178.543.90000116.3
216G25.4Very low25.6Very low80 Ų80140.1 Ų140.183%0.82579%0.786SS**  trans-79.8151.216200000112.9
217E26.2Very low25.7Very low195 Ų195139.7 Ų139.791%0.91178%0.784SS**  trans-135.7156.3157.2-156.8168.5148.800107.9
218Q27.8Very low26Very low186 Ų186141.2 Ų141.287%0.86979%0.787SS**PPolyproline II helixtrans-83.1153.9-137.9-69.3168.4-18.100116
219T23.2Very low26.1Very low143 Ų143140.8 Ų140.888%0.87779%0.788SS**PPolyproline II helixtrans-74.7133172.2-26.30000111.9
220E23.7Very low26Very low177 Ų177139 Ų13983%0.82779%0.789SS**PPolyproline II helixtrans-93.4126.1162.8-77.1-177.2154.700110.9
221T22.1Very low25.8Very low123 Ų123144.8 Ų144.876%0.75580%0.803SS**  trans27.8130.1139.8650000121.4
222S27.1Very low25.7Very low122 Ų122144.5 Ų144.585%0.85380%0.802SS**  -176.6147.2114.636.40000113
223Y22.7Very low25.7Very low220 Ų220147.7 Ų147.786%0.86380%0.804SS**  trans-88.3173.2-175.8-84.7-103.6000113
224T26.2Very low25.6Very low128 Ų128150.7 Ų150.779%0.78581%0.806SS**  trans128.514415254.90000111.1
225D22.3Very low25.5Very low132 Ų132149.6 Ų149.671%0.70681%0.806SS**  cis-178.3159.4-18.4-122.8-28.4000105.6
226T26.2Very low25.2Very low112 Ų112150.6 Ų150.669%0.68780%0.803SS**  trans62.8150.1152.650.60000119.4
227D25.7Very low25.2Very low135 Ų135156.8 Ų156.872%0.72281%0.808SS**  cis-172.7174.9-8.3-95.5-27.6000106.4
228D29.5Very low25.1Very low148 Ų148156.1 Ų156.179%0.79180%0.802SS**  trans105.8108.5151.1-62.7-32.2000122.8
229E27.7Very low25Very low169 Ų169150.5 Ų150.579%0.7979%0.794SS**  69.6115.8120.6-70.2-82.2132.300123.6
230A23.1Very low25Very low74 Ų74148.8 Ų148.861%0.61279%0.794SS**  27.6136.9128.900000122.2
231F25.9Very low25Very low210 Ų210144.3 Ų144.392%0.92179%0.788SS**  -172147.3124.9-115.6-88.3000113
232Q22.8Very low25.1Very low180 Ų180145 Ų14584%0.84179%0.791SS**  trans-99.5161179.2-62.5-177.3-40.300112.7
233E27.5Very low24.9Very low185 Ų185145.1 Ų145.186%0.86479%0.787SS**  trans165.9116.6138.2-102-175.2142.800109
234E23.2Very low24.9Very low174 Ų174138.4 Ų138.481%0.81378%0.777SS**  50.611885.9-67.2-150.6174.500116.9
235T28Very low24.7Very low143 Ų143137.4 Ų137.488%0.87778%0.775SS**  176.5141.711236.20000115.1
236N22.7Very low24.8Very low127 Ų127137.5 Ų137.568%0.67978%0.78SS**  trans-55.1148.7173.4-179.413.1000117.5
237F25.6Very low24.8Very low209 Ų209136.2 Ų136.292%0.91778%0.776SS**  trans-151.6148.4146-132.8-94.8000114.4
238K24.8Very low24.8Very low181 Ų181141.2 Ų141.279%0.78779%0.785SS**  trans-100.3165.6-162.6-69.1170.1169.5173.50114.9
239G24Very low24.6Very low68 Ų68137.1 Ų137.170%0.70178%0.777SS**  trans126.4108.5141.500000114.9
240A24.5Very low24.4Very low107 Ų107138 Ų13888%0.88478%0.779SS**  83.4144.194.500000112.9
241A23.3Very low24.6Very low84 Ų84139.9 Ų139.969%0.69478%0.779SS**  cis-178.4177.3-11.900000105.9
242V24.2Very low24.5Very low137 Ų137138.8 Ų138.883%0.8377%0.769SS**  trans86142155.2-179.50000117.8
243V23.7Very low24.8Very low125 Ų125138 Ų13876%0.75876%0.763SS**  cis-175.5164.9-24.31580000105.5
244A22.5Very low24.7Very low79 Ų79135 Ų13565%0.65375%0.752SS**  trans100.4108.9152.900000116.9
245S21.5Very low24.7Very low107 Ų107136.7 Ų136.775%0.74875%0.751SS**  73.9134.987.6-61.70000111.1
246T24Very low24.7Very low133 Ų133135.4 Ų135.482%0.81675%0.748SS**  cis-179.115231.820000104.3
247S26.7Very low24.8Very low85 Ų85139.8 Ų139.859%0.59476%0.755SS**  138.9129.297.4150.10000110.3
248R25Very low25.1Very low240 Ų240136.6 Ų136.691%0.90675%0.752SS**  trans54.9134.6139.1-54.5170.1-177.1171.3-1.3118
249G25.5Very low25.1Very low62 Ų62134.1 Ų134.164%0.63975%0.747SS**  cis151.1166.113.900000109
250F24.4Very low25.4Very low189 Ų189137.5 Ų137.583%0.82975%0.754SS**  trans66.3146.3157.7-66.5-66.2000117.7
251N25.8Very low25.4Very low112 Ų112140 Ų14060%0.59975%0.752SS**  cis-173.4137.6-6.4-125.5-11.4000103.9
252R25.2Very low25.6Very low188 Ų188139.1 Ų139.171%0.70975%0.751SS**  97.7143.998.4-160178.8-163172.88.7114.3
253F28.3Very low26Very low164 Ų164138 Ų13872%0.71975%0.749SS**  trans90.5136.2166.4-65.8-72000117.1
254N25.5Very low26.2Very low121 Ų121139.6 Ų139.665%0.64775%0.754SS**  cis-166.1149.1-16.6-146.7-0.5000108.7
255R22.5Very low26.5Very low209 Ų209139.9 Ų139.979%0.78976%0.756SS**  trans16.3131.2145.4-76.4175.2169-162.5-1.2122
256S29.9Very low27Very low116 Ų116143.6 Ų143.681%0.81176%0.761SS**  178.1103109.6-72.50000108.6
257R24.7Very low27.4Very low220 Ų220146.8 Ų146.883%0.8377%0.767SS**  4498.187.8-167.1179.5-70.6-168.7-2.3115.3
258V30.5Very low27.6Very low141 Ų141151.4 Ų151.486%0.85578%0.779SS**  trans-140.9133.3141.8177.10000108
259I25.1Very low27.8Very low130 Ų130148.5 Ų148.567%0.66778%0.776SS**  trans-110.9135.3176.7-67.5169.2000105.9
260T30.3Very low28.1Very low138 Ų138154.1 Ų154.185%0.84779%0.786SS**  trans-157.8133.4140.6450000110.5
261D24.3Very low28.3Very low160 Ų160154.4 Ų154.486%0.85679%0.79SS**  trans-58.7165171.8-71.2-54.1000114.9
262G28.3Very low28.3Very low65 Ų65152.3 Ų152.367%0.6780%0.795SS**  trans140.180.7145.200000117.3
263S32.1Very low28.5Very low113 Ų113152.9 Ų152.979%0.7981%0.805SS**  trans48.6111.5131.942.20000121.4
264N28.6Very low28.3Very low160 Ų160152.6 Ų152.686%0.85681%0.806SS**  64.9124.9126.7-82.1-7.5000122.3
265A29.3Very low28.3Very low85 Ų85154.8 Ų154.870%0.70281%0.806SS**  trans94.4117.9133.200000118.6
266Q30.3Very low28.9Very low184 Ų184155.2 Ų155.286%0.8681%0.814SS**  trans72.491.7151.7-62.5177.2-56.800117.6
267Q33.5Very low28.9Very low200 Ų200152.3 Ų152.394%0.93580%0.802SS**  -162.8126103-112.2169.5-3.600112
268Q29.9Very low28.8Very low182 Ų182150.2 Ų150.285%0.8580%0.799SS**  trans-91.9110.9179.9177.3174.214.800107.1
269Q30.1Very low28.9Very low180 Ų180149.6 Ų149.684%0.84180%0.798SS**  trans166.2136141.6-96167.2-16.800110.3
270Q30.9Very low29.1Very low179 Ų179149.5 Ų149.584%0.83680%0.804SS**SBendtrans83.374.6171.9-50.2-177.653.500116.6
271Q28.4Very low29.7Very low195 Ų195148.2 Ų148.291%0.91180%0.798SS**  -174.170.5129.2-99.6167.669.900109
272G26.2Very low30.5Very low69 Ų69147.6 Ų147.671%0.71179%0.787SS**  trans-68.3154.9149.900000108.3
273Q29.2Very low31.5Very low199 Ų199151.8 Ų151.893%0.9379%0.788SS**  trans94.557.6-168.7-48.4-67.3-15.200113.7
274Q25.6Very low32.7Very low158 Ų158151.5 Ų151.574%0.73878%0.777SS**  trans-122.7116.9157.7-119.1-159.2-4.500109.4
275W24.9Very low34.6Very low167 Ų167150.2 Ų150.263%0.63377%0.769SS**  trans70.683.4155.7-49.1105.7000118.9
276F34.1Very low36.2Very low218 Ų218153.4 Ų153.496%0.95677%0.769SS**SBend-95.7125.4123.7-76.9-79000107.9
277G30.2Very low38.3Very low56 Ų56147.5 Ų147.558%0.57775%0.746SS**PPolyproline II helixtrans-61.2154.8-16400000115.6P279G277-P279 VanDerWaalsContact O-CD 3.28Å; G277-P279 WeakPolarHBondContact O-CD 3.11Å
278K24.2Very low40.3Very low176 Ų176141 Ų14177%0.76572%0.715SS**PPolyproline II helixtrans-51.9123.7179.3-59.5174.1178.4-179.40112.8
279P31Very low42.1Very low128 Ų128135.7 Ų135.783%0.83170%0.698SS**  trans-104.2108.1154.2138000109.4G277G277-P279 VanDerWaalsContact O-CD 3.28Å; G277-P279 WeakPolarHBondContact O-CD 3.11Å
280T31Very low44.5Very low127 Ų127133.2 Ų133.278%0.77969%0.685SS**  trans-89.3165151.739.70000108.8
281P41.1Very low46.9Very low111 Ų111131.1 Ų131.172%0.72167%0.669SS**SBendcis-130175.4-25.834.3-15.4000112.3
282K41.9Very low49.2Very low148 Ų148130.3 Ų130.364%0.64366%0.658SS**  trans64.394.3172.3-59.7-167.3175.1-151.90115.4E145 N284E145-K282 IonicContact OE1-NZ 3.65Å; E145-K282 PolarHBondContact OE1-NZ 2.91Å; E145-K282 VanDerWaalsContact OE1-NZ 3.17Å; E145-K282 IonicContact OE2-NZ 2.66Å; E145-K282 PolarHBondContact OE2-NZ 3.36Å; K282-N284 PolarHBondContact O-N 3.23Å
283F48.3Very low51.7Low153 Ų153129.8 Ų129.867%0.67165%0.647SS**  trans-59.6106.3166.4-75-85.5000109.4I285 E288F283-I285 PolarHBondContact O-N 2.84Å; F283-I285 VanDerWaalsContact O-N 3.12Å; F283-E288 HydrophobicContact CB-CG 4.1Å; F283-E288 HydrophobicContact CD1-CG 3.46Å; F283-E288 VanDerWaalsContact CD1-CG 3.46Å; F283-E288 WeakPolarHBondContact CD1-OE1 2.86Å; F283-E288 HydrophobicContact CE1-CG 4.18Å; F283-E288 WeakPolarHBondContact CE1-OE1 3.41Å; F283-E288 HydrophobicContact CG-CG 4.11Å
284N59.3Low54.2Low106 Ų106123.1 Ų123.157%0.56762%0.617SS**  trans-56.6117.8160.9-82.5-20.6000106.6K282 E286 V287 E288K282-N284 PolarHBondContact O-N 3.23Å; N284-E286 PolarHBondContact O-N 3.03Å; N284-V287 HydrophobicContact CB-CB 4.11Å; N284-V287 HydrophobicContact CB-CG2 3.72Å; N284-V287 WeakPolarHBondContact O-CA 3.49Å; N284-V287 WeakPolarHBondContact O-CB 3.35Å; N284-V287 PolarHBondContact O-N 3.27Å; N284-E288 PolarHBondContact O-N 2.83Å; N284-E288 VanDerWaalsContact O-N 3.14Å
285I68.1Low56.9Low133 Ų133118.7 Ų118.768%0.68260%0.604SS**Hα-helixtrans-51.6-32.7177-72.7162000110.4F283 E288 S289F283-I285 PolarHBondContact O-N 2.84Å; F283-I285 VanDerWaalsContact O-N 3.12Å; I285-E288 PolarHBondContact O-N 2.87Å; I285-S289 WeakPolarHBondContact O-CB 3.31Å; I285-S289 PolarHBondContact O-N 2.88Å; I285-S289 PolarHBondContact O-OG 3.3Å
286E62Low59.4Low152 Ų152112 Ų11271%0.7158%0.581SS**Hα-helixtrans-63.3-39.3173.2-64.3173.2-165.900113.8N284 S289 F290N284-E286 PolarHBondContact O-N 3.03Å; E286-S289 WeakPolarHBondContact CA-OG 3.48Å; E286-S289 PolarHBondContact O-OG 2.74Å; E286-F290 WeakPolarHBondContact O-CB 3.42Å; E286-F290 PolarHBondContact O-N 2.84Å
287V74.9Confident61.6Low61 Ų61105.1 Ų105.137%0.3755%0.553SS.*Hα-helixtrans-70.5-37.4177.4174.10000110.1N284 R291N284-V287 HydrophobicContact CB-CB 4.11Å; N284-V287 HydrophobicContact CB-CG2 3.72Å; N284-V287 WeakPolarHBondContact O-CA 3.49Å; N284-V287 WeakPolarHBondContact O-CB 3.35Å; N284-V287 PolarHBondContact O-N 3.27Å; V287-R291 HydrophobicContact CG1-CG 4.46Å; V287-R291 VanDerWaalsContact O-CB 3.31Å; V287-R291 WeakPolarHBondContact O-CB 3.23Å; V287-R291 WeakPolarHBondContact O-CG 3.41Å; V287-R291 PolarHBondContact O-N 2.94Å
288E74.2Confident64.2Low62 Ų62105.6 Ų105.629%0.2954%0.542SS..Hα-helixtrans-73.2-37.9175.6-76.2-56.8133.600112.9F283 N284 I285 F290 R291 R292F283-E288 HydrophobicContact CB-CG 4.1Å; F283-E288 HydrophobicContact CD1-CG 3.46Å; F283-E288 VanDerWaalsContact CD1-CG 3.46Å; F283-E288 WeakPolarHBondContact CD1-OE1 2.86Å; F283-E288 HydrophobicContact CE1-CG 4.18Å; F283-E288 WeakPolarHBondContact CE1-OE1 3.41Å; F283-E288 HydrophobicContact CG-CG 4.11Å; N284-E288 PolarHBondContact O-N 2.83Å; N284-E288 VanDerWaalsContact O-N 3.14Å; I285-E288 PolarHBondContact O-N 2.87Å; E288-F290 VanDerWaalsContact C-N 3.34Å; E288-R291 PolarHBondContact O-N 2.99Å; E288-R291 VanDerWaalsContact OE1-CD 3.25Å; E288-R291 WeakPolarHBondContact OE1-CD 3.34Å; E288-R291 IonicContact OE1-CZ 3.62Å; E288-R291 IonicContact OE1-NE 3.81Å; E288-R291 IonicContact OE1-NH1 2.74Å; E288-R291 PolarHBondContact OE1-NH1 3.2Å; E288-R292 WeakPolarHBondContact O-CB 3.23Å; E288-R292 PolarHBondContact O-N 2.97Å
289S68Low66.9Low71 Ų71107.2 Ų107.250%0.49754%0.543SS..Hα-helixtrans-64.5-41.817366.50000111I285 E286 R292 A293I285-S289 WeakPolarHBondContact O-CB 3.31Å; I285-S289 PolarHBondContact O-N 2.88Å; I285-S289 PolarHBondContact O-OG 3.3Å; E286-S289 WeakPolarHBondContact CA-OG 3.48Å; E286-S289 PolarHBondContact O-OG 2.74Å; S289-R292 PolarHBondContact O-N 2.94Å; S289-A293 WeakPolarHBondContact O-CB 3.38Å; S289-A293 PolarHBondContact O-N 2.85Å
290F80.9Confident69.2Low129 Ų129108.1 Ų108.157%0.56654%0.536SS*.Hα-helixtrans-63.1-47.1173.7178.6-103.7000112.1E286 E288 R292 A293 L294E286-F290 WeakPolarHBondContact O-CB 3.42Å; E286-F290 PolarHBondContact O-N 2.84Å; E288-F290 VanDerWaalsContact C-N 3.34Å; F290-R292 VanDerWaalsContact C-N 3.25Å; F290-R292 PolarHBondContact O-N 3.04Å; F290-A293 PolarHBondContact O-N 3.23Å; F290-L294 HydrophobicContact CE1-CD1 3.86Å; F290-L294 HydrophobicContact CE2-CD1 4.36Å; F290-L294 HydrophobicContact CZ-CD1 3.58Å; F290-L294 VanDerWaalsContact O-CB 3.27Å; F290-L294 WeakPolarHBondContact O-CB 3.44Å; F290-L294 PolarHBondContact O-N 2.81Å
291R81.6Confident71.7Confident135 Ų135105.1 Ų105.151%0.50952%0.515SS..Hα-helixtrans-57.8-40.8176-81.3170.8178-175.6-1.5111.7V287 E288 S295V287-R291 HydrophobicContact CG1-CG 4.46Å; V287-R291 VanDerWaalsContact O-CB 3.31Å; V287-R291 WeakPolarHBondContact O-CB 3.23Å; V287-R291 WeakPolarHBondContact O-CG 3.41Å; V287-R291 PolarHBondContact O-N 2.94Å; E288-R291 PolarHBondContact O-N 2.99Å; E288-R291 VanDerWaalsContact OE1-CD 3.25Å; E288-R291 WeakPolarHBondContact OE1-CD 3.34Å; E288-R291 IonicContact OE1-CZ 3.62Å; E288-R291 IonicContact OE1-NE 3.81Å; E288-R291 IonicContact OE1-NH1 2.74Å; E288-R291 PolarHBondContact OE1-NH1 3.2Å; R291-S295 VanDerWaalsContact O-CB 3.28Å; R291-S295 WeakPolarHBondContact O-CB 3.3Å; R291-S295 PolarHBondContact O-N 2.83Å
292R75.9Confident73.8Confident178 Ų178106.3 Ų106.367%0.67252%0.516SS*.Hα-helixtrans-66.7-51.5178-144.8166.4-166.7111.3-0.6110.5E288 S289 F290 L294 S295 D296E288-R292 WeakPolarHBondContact O-CB 3.23Å; E288-R292 PolarHBondContact O-N 2.97Å; S289-R292 PolarHBondContact O-N 2.94Å; F290-R292 VanDerWaalsContact C-N 3.25Å; F290-R292 PolarHBondContact O-N 3.04Å; R292-L294 VanDerWaalsContact C-N 3.26Å; R292-L294 PolarHBondContact O-N 3.5Å; R292-S295 PolarHBondContact O-N 3.44Å; R292-S295 VanDerWaalsContact O-N 3.16Å; R292-D296 WeakPolarHBondContact O-CB 3.5Å; R292-D296 PolarHBondContact O-N 3.47Å
293A78.7Confident75.9Confident58 Ų58105.8 Ų105.848%0.47951%0.511SS..Hα-helixtrans-55.2-41.317600000112.5S289 F290 D296 L297S289-A293 WeakPolarHBondContact O-CB 3.38Å; S289-A293 PolarHBondContact O-N 2.85Å; F290-A293 PolarHBondContact O-N 3.23Å; A293-D296 PolarHBondContact O-N 2.99Å; A293-L297 WeakPolarHBondContact O-CB 3.47Å; A293-L297 PolarHBondContact O-N 3.33Å
294L82.5Confident77.6Confident59 Ų59101.4 Ų101.431%0.30949%0.491SS..Hα-helixtrans-71.8-41.7178.5-169133.7000112.3F290 R292 D296 L297 I298F290-L294 HydrophobicContact CE1-CD1 3.86Å; F290-L294 HydrophobicContact CE2-CD1 4.36Å; F290-L294 HydrophobicContact CZ-CD1 3.58Å; F290-L294 VanDerWaalsContact O-CB 3.27Å; F290-L294 WeakPolarHBondContact O-CB 3.44Å; F290-L294 PolarHBondContact O-N 2.81Å; R292-L294 VanDerWaalsContact C-N 3.26Å; R292-L294 PolarHBondContact O-N 3.5Å; L294-D296 PolarHBondContact O-N 3.38Å; L294-L297 PolarHBondContact O-N 2.83Å; L294-I298 HydrophobicContact CD2-CD1 3.5Å; L294-I298 VanDerWaalsContact CD2-CD1 3.5Å; L294-I298 HydrophobicContact CD2-CG1 4.43Å; L294-I298 HydrophobicContact CG-CD1 4.28Å; L294-I298 WeakPolarHBondContact O-CB 3.4Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.18Å; L294-I298 PolarHBondContact O-N 3.27Å
295S82.3Confident78.8Confident65 Ų6598 Ų9846%0.45548%0.475SS..Hα-helixtrans-61.1-31.2173.5-176.80000112.2R291 R292 R299R291-S295 VanDerWaalsContact O-CB 3.28Å; R291-S295 WeakPolarHBondContact O-CB 3.3Å; R291-S295 PolarHBondContact O-N 2.83Å; R292-S295 PolarHBondContact O-N 3.44Å; R292-S295 VanDerWaalsContact O-N 3.16Å; S295-R299 PolarHBondContact O-N 3.08Å
296D77.5Confident79.8Confident27 Ų2797.1 Ų97.114%0.14447%0.468CS..Hα-helixtrans-77.4-43.3179.1-63.8-42.1000111.5R56 R292 A293 L294 I298 R299 E300R56-D296 IonicContact CZ-OD1 2.9Å; R56-D296 IonicContact CZ-OD2 2.87Å; R56-D296 IonicContact NE-OD2 3.04Å; R56-D296 PolarHBondContact NE-OD2 3.27Å; R56-D296 VanDerWaalsContact NH1-CB 3.34Å; R56-D296 IonicContact NH1-OD2 2.84Å; R56-D296 IonicContact NH2-OD1 3.29Å; R56-D296 PolarHBondContact NH2-OD1 3.29Å; R56-D296 IonicContact NH2-OD2 3.23Å; R56-D296 PolarHBondContact NH2-OD2 3.38Å; R292-D296 WeakPolarHBondContact O-CB 3.5Å; R292-D296 PolarHBondContact O-N 3.47Å; A293-D296 PolarHBondContact O-N 2.99Å; L294-D296 PolarHBondContact O-N 3.38Å; D296-I298 VanDerWaalsContact C-N 3.31Å; D296-I298 PolarHBondContact O-N 3.07Å; D296-R299 PolarHBondContact O-N 2.92Å; D296-R299 VanDerWaalsContact O-N 3.09Å; D296-E300 PolarHBondContact O-N 3.04Å
297L80.7Confident81.2Confident72 Ų7295.4 Ų95.438%0.37746%0.459SS..Hα-helixtrans-59.7-41.8173.7-174.264000111.9A293 L294 R299 E300 D301 F304A293-L297 WeakPolarHBondContact O-CB 3.47Å; A293-L297 PolarHBondContact O-N 3.33Å; L294-L297 PolarHBondContact O-N 2.83Å; L297-R299 PolarHBondContact O-N 3.45Å; L297-E300 PolarHBondContact O-N 2.84Å; L297-D301 PolarHBondContact O-N 3.26Å; L297-F304 HydrophobicContact CD2-CD1 3.98Å; L297-F304 HydrophobicContact CD2-CD2 4.19Å; L297-F304 HydrophobicContact CD2-CE1 3.61Å; L297-F304 HydrophobicContact CD2-CE2 3.84Å; L297-F304 HydrophobicContact CD2-CG 4.26Å; L297-F304 HydrophobicContact CD2-CZ 3.54Å; L297-F304 HydrophobicContact CG-CD1 3.87Å; L297-F304 HydrophobicContact CG-CE1 3.91Å; L297-F304 HydrophobicContact CG-CG 4.25Å; L297-F304 HydrophobicContact CG-CZ 4.33Å
298I84.8Confident81.9Confident67 Ų6796.4 Ų96.434%0.34446%0.461SS..Hα-helixtrans-62.6-28.3176.3-72.5170.8000112.3L294 D296 F304 C305 L308L294-I298 HydrophobicContact CD2-CD1 3.5Å; L294-I298 VanDerWaalsContact CD2-CD1 3.5Å; L294-I298 HydrophobicContact CD2-CG1 4.43Å; L294-I298 HydrophobicContact CG-CD1 4.28Å; L294-I298 WeakPolarHBondContact O-CB 3.4Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.18Å; L294-I298 PolarHBondContact O-N 3.27Å; D296-I298 VanDerWaalsContact C-N 3.31Å; D296-I298 PolarHBondContact O-N 3.07Å; I298-F304 HydrophobicContact CG1-CE1 4.31Å; I298-C305 PolarHBondContact O-SG 2.77Å; I298-L308 HydrophobicContact CD1-CD2 4.39Å
299R79.9Confident82.8Confident210 Ų210100.3 Ų100.379%0.79248%0.475SS*.Hα-helixtrans-82.6-22.6179.1-86-177.765173.30.7113.9S295 D296 L297S295-R299 PolarHBondContact O-N 3.08Å; D296-R299 PolarHBondContact O-N 2.92Å; D296-R299 VanDerWaalsContact O-N 3.09Å; L297-R299 PolarHBondContact O-N 3.45Å
300E79.3Confident84Confident146 Ų146100.9 Ų100.968%0.68247%0.472SS*.Hα-helixtrans-100.5-30.3-170.7-71.4174.8-166.200112.7R56 D296 L297R56-E300 IonicContact NH1-OE1 3.54Å; D296-E300 PolarHBondContact O-N 3.04Å; L297-E300 PolarHBondContact O-N 2.84Å
301D83.3Confident84.6Confident64 Ų64102.2 Ų102.234%0.34247%0.473SS..  trans-123.797.1-172.6-172-14.7000112.1L297 Y303 F304 C305L297-D301 PolarHBondContact O-N 3.26Å; D301-Y303 VanDerWaalsContact C-N 3.26Å; D301-Y303 PolarHBondContact O-N 2.84Å; D301-Y303 WeakPolarHBondContact OD1-CA 3.25Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.32Å; D301-Y303 PolarHBondContact OD1-N 3.29Å; D301-F304 HydrophobicContact CB-CB 3.77Å; D301-F304 VanDerWaalsContact CG-CB 3.43Å; D301-F304 PolarHBondContact O-N 2.78Å; D301-F304 PolarHBondContact OD1-N 2.96Å; D301-F304 WeakPolarHBondContact OD2-CB 3.35Å; D301-C305 PolarHBondContact O-N 3.22Å; D301-C305 VanDerWaalsContact O-N 3.1Å; D301-C305 PolarHBondContact O-SG 3.35Å
302D85.9Confident85.1Confident137 Ų137102.4 Ų102.473%0.73348%0.475SS*.Hα-helixtrans-61.5-34.2176.5-73-22000112.1C305 E306D302-C305 WeakPolarHBondContact O-CB 3.37Å; D302-C305 PolarHBondContact O-N 2.89Å; D302-E306 PolarHBondContact O-N 2.96Å
303Y84.9Confident85.9Confident136 Ų13698.5 Ų98.553%0.53346%0.462SS..Hα-helixtrans-70.3-40.6179.5175.2-102.8000111.6D301 C305 E306 K307D301-Y303 VanDerWaalsContact C-N 3.26Å; D301-Y303 PolarHBondContact O-N 2.84Å; D301-Y303 WeakPolarHBondContact OD1-CA 3.25Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.32Å; D301-Y303 PolarHBondContact OD1-N 3.29Å; Y303-C305 VanDerWaalsContact C-N 3.31Å; Y303-C305 PolarHBondContact O-N 3.49Å; Y303-E306 PolarHBondContact O-N 3.25Å; Y303-K307 HydrophobicContact CE1-CD 3.89Å; Y303-K307 VanDerWaalsContact CZ-CE 3.42Å; Y303-K307 PolarHBondContact O-N 3.42Å; Y303-K307 WeakPolarHBondContact OH-CE 3.12Å; Y303-K307 PolarHBondContact OH-NZ 2.89Å
304F84.4Confident86.5Confident61 Ų61100.7 Ų100.727%0.26846%0.463SS..Hα-helixtrans-58.6-44.6170.1175.2-97.5000111.1L297 I298 D301 E306 K307 L308L297-F304 HydrophobicContact CD2-CD1 3.98Å; L297-F304 HydrophobicContact CD2-CD2 4.19Å; L297-F304 HydrophobicContact CD2-CE1 3.61Å; L297-F304 HydrophobicContact CD2-CE2 3.84Å; L297-F304 HydrophobicContact CD2-CG 4.26Å; L297-F304 HydrophobicContact CD2-CZ 3.54Å; L297-F304 HydrophobicContact CG-CD1 3.87Å; L297-F304 HydrophobicContact CG-CE1 3.91Å; L297-F304 HydrophobicContact CG-CG 4.25Å; L297-F304 HydrophobicContact CG-CZ 4.33Å; I298-F304 HydrophobicContact CG1-CE1 4.31Å; D301-F304 HydrophobicContact CB-CB 3.77Å; D301-F304 VanDerWaalsContact CG-CB 3.43Å; D301-F304 PolarHBondContact O-N 2.78Å; D301-F304 PolarHBondContact OD1-N 2.96Å; D301-F304 WeakPolarHBondContact OD2-CB 3.35Å; F304-E306 VanDerWaalsContact C-N 3.35Å; F304-E306 PolarHBondContact O-N 3.41Å; F304-K307 PolarHBondContact O-N 2.99Å; F304-L308 HydrophobicContact CE1-CD1 4.47Å; F304-L308 HydrophobicContact CE1-CD2 4.48Å; F304-L308 HydrophobicContact CZ-CD1 4.19Å; F304-L308 WeakPolarHBondContact O-CB 3.43Å; F304-L308 PolarHBondContact O-N 3Å
305C85.2Confident87Confident34 Ų34101.4 Ų101.423%0.2347%0.466CS..Hα-helixtrans-60.2-43.4177.8-66.70000112.5I298 D301 D302 Y303 L308 Y309I298-C305 PolarHBondContact O-SG 2.77Å; D301-C305 PolarHBondContact O-N 3.22Å; D301-C305 VanDerWaalsContact O-N 3.1Å; D301-C305 PolarHBondContact O-SG 3.35Å; D302-C305 WeakPolarHBondContact O-CB 3.37Å; D302-C305 PolarHBondContact O-N 2.89Å; Y303-C305 VanDerWaalsContact C-N 3.31Å; Y303-C305 PolarHBondContact O-N 3.49Å; C305-L308 PolarHBondContact O-N 2.79Å; C305-Y309 WeakPolarHBondContact O-CB 3.42Å; C305-Y309 PolarHBondContact O-N 3.37Å
306E89.7Confident87.4Confident115 Ų115102.2 Ų102.254%0.53746%0.464SS..Hα-helixtrans-62.7-47.3176.6-171.7178.1-171.900111.5D302 Y303 F304 L308 Y309 L310D302-E306 PolarHBondContact O-N 2.96Å; Y303-E306 PolarHBondContact O-N 3.25Å; F304-E306 VanDerWaalsContact C-N 3.35Å; F304-E306 PolarHBondContact O-N 3.41Å; E306-L308 VanDerWaalsContact C-N 3.34Å; E306-L308 PolarHBondContact O-N 3.2Å; E306-Y309 PolarHBondContact O-N 2.88Å; E306-L310 HydrophobicContact CG-CD1 4.28Å; E306-L310 WeakPolarHBondContact O-CG 3.36Å; E306-L310 PolarHBondContact O-N 3.48Å
307K90.9Very high87.9Confident117 Ų117105.9 Ų105.951%0.50948%0.48SS..Hα-helixtrans-60.2-42.9175.2-87.7-170.4171.71700112.6Y303 F304 Y309 L310 R311Y303-K307 HydrophobicContact CE1-CD 3.89Å; Y303-K307 VanDerWaalsContact CZ-CE 3.42Å; Y303-K307 PolarHBondContact O-N 3.42Å; Y303-K307 WeakPolarHBondContact OH-CE 3.12Å; Y303-K307 PolarHBondContact OH-NZ 2.89Å; F304-K307 PolarHBondContact O-N 2.99Å; K307-Y309 VanDerWaalsContact C-N 3.31Å; K307-Y309 PolarHBondContact O-N 3.16Å; K307-L310 PolarHBondContact O-N 2.91Å; K307-R311 WeakPolarHBondContact O-CB 3.36Å; K307-R311 PolarHBondContact O-N 2.82Å
308L90.1Very high88.2Confident81 Ų81105.8 Ų105.842%0.42449%0.485SS..Hα-helixtrans-59.6-45.1177-169.281.6000110.4I298 F304 C305 E306 R311 Y312I298-L308 HydrophobicContact CD1-CD2 4.39Å; F304-L308 HydrophobicContact CE1-CD1 4.47Å; F304-L308 HydrophobicContact CE1-CD2 4.48Å; F304-L308 HydrophobicContact CZ-CD1 4.19Å; F304-L308 WeakPolarHBondContact O-CB 3.43Å; F304-L308 PolarHBondContact O-N 3Å; C305-L308 PolarHBondContact O-N 2.79Å; E306-L308 VanDerWaalsContact C-N 3.34Å; E306-L308 PolarHBondContact O-N 3.2Å; L308-R311 PolarHBondContact O-N 3.34Å; L308-Y312 WeakPolarHBondContact O-CB 3.15Å; L308-Y312 PolarHBondContact O-N 3.5Å
309Y91.9Very high88.3Confident145 Ų145109.4 Ų109.457%0.56950%0.499SS*.Hα-helixtrans-63.8-46.6177174.6-102.9000112.5C305 E306 K307 R311 Y312 K313C305-Y309 WeakPolarHBondContact O-CB 3.42Å; C305-Y309 PolarHBondContact O-N 3.37Å; E306-Y309 PolarHBondContact O-N 2.88Å; K307-Y309 VanDerWaalsContact C-N 3.31Å; K307-Y309 PolarHBondContact O-N 3.16Å; Y309-R311 VanDerWaalsContact C-N 3.29Å; Y309-R311 PolarHBondContact O-N 2.87Å; Y309-Y312 WeakPolarHBondContact O-CB 3.39Å; Y309-Y312 PolarHBondContact O-N 2.98Å; Y309-K313 WeakPolarHBondContact O-CB 3.36Å; Y309-K313 PolarHBondContact O-N 3.33Å
310L93.6Very high88.5Confident83 Ų83104.4 Ų104.444%0.43549%0.491SS..Hα-helixtrans-60.5-40.6177.6-71.3173.8000111.5E306 K307 K313 Q314E306-L310 HydrophobicContact CG-CD1 4.28Å; E306-L310 WeakPolarHBondContact O-CG 3.36Å; E306-L310 PolarHBondContact O-N 3.48Å; K307-L310 PolarHBondContact O-N 2.91Å; L310-K313 PolarHBondContact O-N 3.39Å; L310-Q314 WeakPolarHBondContact O-CG 3.46Å; L310-Q314 PolarHBondContact O-N 2.88Å
311R92.5Very high88.4Confident156 Ų156101.5 Ų101.559%0.58949%0.487SS*.Hα-helixtrans-66-42.9176.1-170.758170.7175.2-1.9111.9K307 L308 Y309 K313 Q314 I315K307-R311 WeakPolarHBondContact O-CB 3.36Å; K307-R311 PolarHBondContact O-N 2.82Å; L308-R311 PolarHBondContact O-N 3.34Å; Y309-R311 VanDerWaalsContact C-N 3.29Å; Y309-R311 PolarHBondContact O-N 2.87Å; R311-K313 VanDerWaalsContact C-N 3.33Å; R311-K313 PolarHBondContact O-N 3.38Å; R311-Q314 PolarHBondContact O-N 3.18Å; R311-I315 HydrophobicContact CG-CD1 4.29Å; R311-I315 WeakPolarHBondContact O-CG1 3.4Å; R311-I315 PolarHBondContact O-N 2.94Å; R311-I315 VanDerWaalsContact O-N 3.13Å
312Y93Very high87.6Confident140 Ų140101.6 Ų101.655%0.54950%0.503SS..Hα-helixtrans-58.4-45.4174172.2-100000111.4L308 Y309 Q314 I315 M316L308-Y312 WeakPolarHBondContact O-CB 3.15Å; L308-Y312 PolarHBondContact O-N 3.5Å; Y309-Y312 WeakPolarHBondContact O-CB 3.39Å; Y309-Y312 PolarHBondContact O-N 2.98Å; Y312-Q314 PolarHBondContact O-N 3.14Å; Y312-I315 PolarHBondContact O-N 2.76Å; Y312-M316 HydrophobicContact CD1-CG 4.36Å; Y312-M316 HydrophobicContact CD2-CG 4.41Å; Y312-M316 HydrophobicContact CE1-CG 3.92Å; Y312-M316 HydrophobicContact CE2-CG 3.97Å; Y312-M316 HydrophobicContact CE2-SD 4.19Å; Y312-M316 WeakPolarHBondContact O-CG 3.35Å; Y312-M316 PolarHBondContact O-N 3.45Å
313K92.8Very high86.3Confident95 Ų9599.2 Ų99.241%0.41350%0.503SS..Hα-helixtrans-59.2-47.6177.2-173.1-179.9176.2-175.30112.2Y309 L310 R311 I315 M316 E317Y309-K313 WeakPolarHBondContact O-CB 3.36Å; Y309-K313 PolarHBondContact O-N 3.33Å; L310-K313 PolarHBondContact O-N 3.39Å; R311-K313 VanDerWaalsContact C-N 3.33Å; R311-K313 PolarHBondContact O-N 3.38Å; K313-I315 VanDerWaalsContact C-N 3.29Å; K313-I315 PolarHBondContact O-N 3.32Å; K313-M316 PolarHBondContact O-N 3.17Å; K313-M316 VanDerWaalsContact O-N 3.12Å; K313-E317 WeakPolarHBondContact CE-OE1 3.44Å; K313-E317 WeakPolarHBondContact O-CG 3.34Å; K313-E317 PolarHBondContact O-N 3.2Å
314Q91.7Very high84.6Confident104 Ų104105.2 Ų105.249%0.48653%0.532SS..Hα-helixtrans-56.6-41.1175.7-74.8176.7-9.700112.7L310 R311 Y312 E317 S318L310-Q314 WeakPolarHBondContact O-CG 3.46Å; L310-Q314 PolarHBondContact O-N 2.88Å; R311-Q314 PolarHBondContact O-N 3.18Å; Y312-Q314 PolarHBondContact O-N 3.14Å; Q314-E317 PolarHBondContact O-N 3.28Å; Q314-S318 PolarHBondContact O-N 3.42Å; Q314-S318 PolarHBondContact O-OG 3.15Å
315I92.1Very high84.6Confident74 Ų74107.5 Ų107.538%0.37955%0.545SS..Hα-helixtrans-68.1-36.8178.4-67.2165.7000111.2R311 Y312 K313 S318 K319R311-I315 HydrophobicContact CG-CD1 4.29Å; R311-I315 WeakPolarHBondContact O-CG1 3.4Å; R311-I315 PolarHBondContact O-N 2.94Å; R311-I315 VanDerWaalsContact O-N 3.13Å; Y312-I315 PolarHBondContact O-N 2.76Å; K313-I315 VanDerWaalsContact C-N 3.29Å; K313-I315 PolarHBondContact O-N 3.32Å; I315-S318 PolarHBondContact O-OG 3.28Å; I315-K319 WeakPolarHBondContact O-CG 3.35Å; I315-K319 PolarHBondContact O-N 3.17Å; I315-K319 VanDerWaalsContact O-N 3.16Å
316M90.4Very high84.6Confident83 Ų83111.3 Ų111.341%0.40956%0.562SS.*Hα-helixtrans-70.6-38.5177.5-67.9-60.5-70.200111.7Y312 K313 K319 T320Y312-M316 HydrophobicContact CD1-CG 4.36Å; Y312-M316 HydrophobicContact CD2-CG 4.41Å; Y312-M316 HydrophobicContact CE1-CG 3.92Å; Y312-M316 HydrophobicContact CE2-CG 3.97Å; Y312-M316 HydrophobicContact CE2-SD 4.19Å; Y312-M316 WeakPolarHBondContact O-CG 3.35Å; Y312-M316 PolarHBondContact O-N 3.45Å; K313-M316 PolarHBondContact O-N 3.17Å; K313-M316 VanDerWaalsContact O-N 3.12Å; M316-K319 PolarHBondContact O-N 3.28Å; M316-T320 WeakPolarHBondContact O-CG2 3.27Å; M316-T320 PolarHBondContact O-N 3.22Å; M316-T320 PolarHBondContact O-OG1 3.06Å
317E89.2Confident84.3Confident103 Ų103111.1 Ų111.148%0.48156%0.563SS.*Hα-helixtrans-68.9-35.5175.7-71.2173.117500113K313 Q314 T320 S321K313-E317 WeakPolarHBondContact CE-OE1 3.44Å; K313-E317 WeakPolarHBondContact O-CG 3.34Å; K313-E317 PolarHBondContact O-N 3.2Å; Q314-E317 PolarHBondContact O-N 3.28Å; E317-T320 WeakPolarHBondContact CA-OG1 3.11Å; E317-T320 PolarHBondContact O-N 2.93Å; E317-T320 PolarHBondContact O-OG1 3.06Å; E317-S321 PolarHBondContact O-N 3.29Å; E317-S321 VanDerWaalsContact O-N 3.15Å; E317-S321 PolarHBondContact O-OG 2.82Å
318S86Confident83.9Confident70 Ų70110.8 Ų110.849%0.4957%0.566SS.*Hα-helixtrans-69.7-34.8174.6670000112.3Q314 I315 S321 G322Q314-S318 PolarHBondContact O-N 3.42Å; Q314-S318 PolarHBondContact O-OG 3.15Å; I315-S318 PolarHBondContact O-OG 3.28Å; S318-S321 WeakPolarHBondContact CA-OG 3.39Å; S318-S321 PolarHBondContact O-OG 3.4Å; S318-G322 PolarHBondContact O-N 3.32Å
319K87.1Confident83.5Confident144 Ų144112.6 Ų112.663%0.62658%0.575SS**Hα-helixtrans-67.3-35.5174.1-79.5-178.3177.9-178.50113.3I315 M316I315-K319 WeakPolarHBondContact O-CG 3.35Å; I315-K319 PolarHBondContact O-N 3.17Å; I315-K319 VanDerWaalsContact O-N 3.16Å; M316-K319 PolarHBondContact O-N 3.28Å
320T84Confident82.9Confident104 Ų104110.5 Ų110.564%0.63858%0.575SS**Hα-helixtrans-77.3-32179.4530000112.7M316 E317M316-T320 WeakPolarHBondContact O-CG2 3.27Å; M316-T320 PolarHBondContact O-N 3.22Å; M316-T320 PolarHBondContact O-OG1 3.06Å; E317-T320 WeakPolarHBondContact CA-OG1 3.11Å; E317-T320 PolarHBondContact O-N 2.93Å; E317-T320 PolarHBondContact O-OG1 3.06Å
321S77.1Confident82.2Confident85 Ų85112.4 Ų112.459%0.59459%0.586SS**Hα-helixtrans-76.9-28.6177.650.10000113.9E317 S318 A323E317-S321 PolarHBondContact O-N 3.29Å; E317-S321 VanDerWaalsContact O-N 3.15Å; E317-S321 PolarHBondContact O-OG 2.82Å; S318-S321 WeakPolarHBondContact CA-OG 3.39Å; S318-S321 PolarHBondContact O-OG 3.4Å; S321-A323 VanDerWaalsContact C-N 3.28Å; S321-A323 PolarHBondContact O-N 3.01Å
322G67.3Low81.4Confident66 Ų66109.1 Ų109.168%0.6859%0.585SS**THydrogen-bonded Turntrans-78.91.8176.900000116S318S318-G322 PolarHBondContact O-N 3.32Å
323A58.4Low80.4Confident87 Ų87106.5 Ų106.572%0.71959%0.588SS**THydrogen-bonded Turntrans-102.517.1-177.700000114.2S321S321-A323 VanDerWaalsContact C-N 3.28Å; S321-A323 PolarHBondContact O-N 3.01Å
324K48.8Very low79.3Confident263 Ų263107.5 Ų107.5100%1.14360%0.604SS**  trans-104.80170.6-99.3-174.8176.3-179.70110.8

Retrieved 324 of 324 residues in 220.9 ms (Link to these results)

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