A0A3Q0KHR8_SCHMA Loading...

Putative myotrophin

AlphaFold DB , UniProt , Accession A0A3Q0KHR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 122 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.6Low83.3Confident94 Ų9474 Ų7446%0.46336%0.362SS..  0139.20-176.9-168.639.600108S3 Q5 L6 N21M1-S3 PolarHBondContact O-N 2.73Å; M1-Q5 HydrophobicContact CG-CB 4.22Å; M1-Q5 HydrophobicContact SD-CB 4.11Å; M1-Q5 HydrophobicContact SD-CG 4.24Å; M1-L6 HydrophobicContact CE-CB 3.49Å; M1-L6 VanDerWaalsContact CE-CB 3.49Å; M1-L6 HydrophobicContact CE-CD1 3.79Å; M1-L6 HydrophobicContact CE-CD2 3.98Å; M1-L6 HydrophobicContact CE-CG 3.92Å; M1-L6 HydrophobicContact SD-CB 4.38Å; M1-N21 HydrophobicContact CE-CB 3.44Å; M1-N21 VanDerWaalsContact CE-CB 3.44Å; M1-N21 HydrophobicContact SD-CB 3.53Å; M1-N21 VanDerWaalsContact SD-CB 3.53Å; M1-N21 PolarHBondContact SD-OD1 3.42Å
2P64.8Low84.3Confident83 Ų8375.5 Ų75.554%0.53937%0.373SS..  trans-58.9133.6173.8-19.431.9000110E4 Q5P2-E4 PolarHBondContact O-N 3.02Å; P2-E4 VanDerWaalsContact O-N 3.09Å; P2-Q5 PolarHBondContact O-N 3.5Å; P2-Q5 VanDerWaalsContact O-N 3.1Å
3S74.7Confident85.2Confident63 Ų6371.8 Ų71.844%0.44137%0.366SS..Hα-helixtrans-51.8-31.8175.445.10000112.5M1 Q5 L6 L7M1-S3 PolarHBondContact O-N 2.73Å; S3-Q5 PolarHBondContact O-N 3.12Å; S3-L6 PolarHBondContact O-N 2.82Å; S3-L7 WeakPolarHBondContact O-CG 3.47Å; S3-L7 PolarHBondContact O-N 3.1Å; S3-L7 VanDerWaalsContact O-N 3.09Å
4E81.5Confident85.9Confident158 Ų15871.4 Ų71.474%0.73837%0.365SS*.Hα-helixtrans-60.8-40.7179.2-64.1-176.9162.100113.2P2 L7 W8P2-E4 PolarHBondContact O-N 3.02Å; P2-E4 VanDerWaalsContact O-N 3.09Å; E4-L7 PolarHBondContact O-N 3.12Å; E4-W8 VanDerWaalsContact O-CB 3.28Å; E4-W8 WeakPolarHBondContact O-CB 3.41Å; E4-W8 PolarHBondContact O-N 3.27Å
5Q85.1Confident86.5Confident107 Ų10768.9 Ų68.950%0.535%0.353SS..Hα-helixtrans-69.1-38.8-178.8-173.21775.700111.5M1 P2 S3 W8 A9M1-Q5 HydrophobicContact CG-CB 4.22Å; M1-Q5 HydrophobicContact SD-CB 4.11Å; M1-Q5 HydrophobicContact SD-CG 4.24Å; P2-Q5 PolarHBondContact O-N 3.5Å; P2-Q5 VanDerWaalsContact O-N 3.1Å; S3-Q5 PolarHBondContact O-N 3.12Å; Q5-W8 PolarHBondContact O-N 3.41Å; Q5-A9 PolarHBondContact O-N 3.39Å
6L87.9Confident86.9Confident0 Ų071.9 Ų71.90%037%0.365CS..Hα-helixtrans-66-44.6176.8-164.859.1000111.2M1 S3 W8 A9 V10 I18 N21 F25 F32 L38M1-L6 HydrophobicContact CE-CB 3.49Å; M1-L6 VanDerWaalsContact CE-CB 3.49Å; M1-L6 HydrophobicContact CE-CD1 3.79Å; M1-L6 HydrophobicContact CE-CD2 3.98Å; M1-L6 HydrophobicContact CE-CG 3.92Å; M1-L6 HydrophobicContact SD-CB 4.38Å; S3-L6 PolarHBondContact O-N 2.82Å; L6-W8 VanDerWaalsContact C-N 3.3Å; L6-W8 PolarHBondContact O-N 3.07Å; L6-A9 WeakPolarHBondContact O-CB 3.46Å; L6-A9 PolarHBondContact O-N 2.83Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.07Å; L6-I18 HydrophobicContact CD1-CD1 3.46Å; L6-I18 VanDerWaalsContact CD1-CD1 3.46Å; L6-I18 HydrophobicContact CG-CD1 4.17Å; L6-N21 HydrophobicContact CD1-CB 4.12Å; L6-F25 HydrophobicContact CD2-CD1 4.49Å; L6-F25 HydrophobicContact CD2-CD2 4.29Å; L6-F25 HydrophobicContact CD2-CE1 4.23Å; L6-F25 HydrophobicContact CD2-CE2 4.05Å; L6-F25 HydrophobicContact CD2-CZ 4.03Å; L6-F32 HydrophobicContact CD2-CE1 4.49Å; L6-F32 HydrophobicContact CD2-CZ 3.91Å; L6-L38 HydrophobicContact CD1-CD2 4.34Å; L6-L38 HydrophobicContact CD2-CD1 3.69Å; L6-L38 HydrophobicContact CD2-CD2 4.05Å; L6-L38 HydrophobicContact CG-CD1 3.77Å; L6-L38 HydrophobicContact CG-CD2 4.14Å
7L90.8Very high87.1Confident35 Ų3569.4 Ų69.418%0.18336%0.356CS..Hα-helixtrans-65.9-35.2177-66-179.8000111.8S3 E4 V10 K11 F32 L38 Y41S3-L7 WeakPolarHBondContact O-CG 3.47Å; S3-L7 PolarHBondContact O-N 3.1Å; S3-L7 VanDerWaalsContact O-N 3.09Å; E4-L7 PolarHBondContact O-N 3.12Å; L7-V10 PolarHBondContact O-N 3.44Å; L7-K11 PolarHBondContact O-N 2.88Å; L7-F32 HydrophobicContact CD1-CD1 4.11Å; L7-F32 HydrophobicContact CD1-CG 4.39Å; L7-F32 HydrophobicContact CD2-CD1 4.24Å; L7-F32 HydrophobicContact CD2-CD2 4.25Å; L7-F32 HydrophobicContact CD2-CE1 4.34Å; L7-F32 HydrophobicContact CD2-CE2 4.38Å; L7-F32 HydrophobicContact CD2-CG 4.21Å; L7-F32 HydrophobicContact CD2-CZ 4.44Å; L7-F32 HydrophobicContact CG-CD1 4.22Å; L7-F32 HydrophobicContact CG-CE1 4.35Å; L7-L38 HydrophobicContact CD2-CD1 4.05Å; L7-Y41 HydrophobicContact CD1-CE1 4.49Å; L7-Y41 HydrophobicContact CD1-CE2 4.41Å; L7-Y41 HydrophobicContact CD2-CD1 4.16Å; L7-Y41 HydrophobicContact CD2-CD2 3.43Å; L7-Y41 VanDerWaalsContact CD2-CD2 3.43Å; L7-Y41 HydrophobicContact CD2-CE1 4.3Å; L7-Y41 HydrophobicContact CD2-CE2 3.61Å; L7-Y41 HydrophobicContact CD2-CG 3.72Å
8W91.6Very high87.3Confident165 Ų16565.6 Ų65.663%0.62534%0.336SS*.Hα-helixtrans-63.2-42.1172-173.8-97.4000112E4 Q5 L6 V10 K11 N12E4-W8 VanDerWaalsContact O-CB 3.28Å; E4-W8 WeakPolarHBondContact O-CB 3.41Å; E4-W8 PolarHBondContact O-N 3.27Å; Q5-W8 PolarHBondContact O-N 3.41Å; L6-W8 VanDerWaalsContact C-N 3.3Å; L6-W8 PolarHBondContact O-N 3.07Å; W8-V10 VanDerWaalsContact C-N 3.33Å; W8-V10 PolarHBondContact O-N 2.99Å; W8-K11 PolarHBondContact O-N 3Å; W8-N12 VanDerWaalsContact CD1-ND2 3.26Å; W8-N12 PolarHBondContact NE1-ND2 2.74Å; W8-N12 PolarHBondContact O-N 3.04Å; W8-N12 VanDerWaalsContact O-N 3.1Å; W8-N12 PolarHBondContact O-ND2 3.44Å
9A93.8Very high87.4Confident5 Ų565.6 Ų65.64%0.04133%0.333CS..Hα-helixtrans-61.8-40.8174.600000111.6Q5 L6 N12 G13 D14 I18Q5-A9 PolarHBondContact O-N 3.39Å; L6-A9 WeakPolarHBondContact O-CB 3.46Å; L6-A9 PolarHBondContact O-N 2.83Å; A9-N12 PolarHBondContact O-N 2.86Å; A9-G13 PolarHBondContact O-N 3.17Å; A9-G13 VanDerWaalsContact O-N 3.14Å; A9-D14 HydrophobicContact CB-CB 4.26Å; A9-D14 PolarHBondContact O-N 3.28Å; A9-I18 HydrophobicContact CB-CD1 3.65Å; A9-I18 HydrophobicContact CB-CG1 4.26Å
10V95.1Very high87.4Confident0 Ų068.2 Ų68.20%034%0.344CS..Hα-helixtrans-60.3-54.3173.2179.30000110.3L6 L7 W8 N12 G13 I18 L38 A42 Y45 Q47L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.07Å; L7-V10 PolarHBondContact O-N 3.44Å; W8-V10 VanDerWaalsContact C-N 3.33Å; W8-V10 PolarHBondContact O-N 2.99Å; V10-N12 PolarHBondContact O-N 3.48Å; V10-G13 PolarHBondContact O-N 3.05Å; V10-I18 HydrophobicContact CG2-CD1 3.6Å; V10-I18 HydrophobicContact CG2-CG1 4.47Å; V10-L38 HydrophobicContact CG2-CD1 3.98Å; V10-L38 HydrophobicContact CG2-CD2 4.27Å; V10-L38 HydrophobicContact CG2-CG 3.88Å; V10-A42 HydrophobicContact CG1-CB 4.02Å; V10-Y45 HydrophobicContact CG1-CD2 4.15Å; V10-Q47 HydrophobicContact CG1-CG 4.44Å; V10-Q47 VanDerWaalsContact O-CG 3.23Å; V10-Q47 WeakPolarHBondContact O-CG 3.21Å; V10-Q47 PolarHBondContact O-NE2 2.72Å
11K95.1Very high87.1Confident104 Ų10466.7 Ų66.745%0.45234%0.337SS..Hα-helixtrans-53.5-35.2-177.7-176.8178.7177.1-177.20113.1L7 W8 Y45 Q47L7-K11 PolarHBondContact O-N 2.88Å; W8-K11 PolarHBondContact O-N 3Å; K11-Y45 HydrophobicContact CB-CD2 4.11Å; K11-Y45 HydrophobicContact CB-CE2 3.94Å; K11-Y45 HydrophobicContact CD-CE1 4.46Å; K11-Y45 HydrophobicContact CG-CD1 4.31Å; K11-Y45 HydrophobicContact CG-CD2 4.49Å; K11-Y45 HydrophobicContact CG-CE1 4.12Å; K11-Y45 HydrophobicContact CG-CE2 4.27Å; K11-Q47 PolarHBondContact O-NE2 2.74Å
12N95.7Very high88.4Confident92 Ų9263.4 Ų63.449%0.49232%0.321SS..THydrogen-bonded Turntrans-93.22.5-179.5-64.9-64.7000114.5W8 A9 V10 D14W8-N12 VanDerWaalsContact CD1-ND2 3.26Å; W8-N12 PolarHBondContact NE1-ND2 2.74Å; W8-N12 PolarHBondContact O-N 3.04Å; W8-N12 VanDerWaalsContact O-N 3.1Å; W8-N12 PolarHBondContact O-ND2 3.44Å; A9-N12 PolarHBondContact O-N 2.86Å; V10-N12 PolarHBondContact O-N 3.48Å; N12-D14 PolarHBondContact O-N 3.25Å
13G95.6Very high88.8Confident28 Ų2867.4 Ų67.429%0.28933%0.33SS..THydrogen-bonded Turntrans6920.6-178.300000114.4A9 V10 L15 Q47A9-G13 PolarHBondContact O-N 3.17Å; A9-G13 VanDerWaalsContact O-N 3.14Å; V10-G13 PolarHBondContact O-N 3.05Å; G13-L15 VanDerWaalsContact C-N 3.32Å; G13-L15 PolarHBondContact O-N 3.45Å; G13-Q47 VanDerWaalsContact CA-CD 3.43Å
14D95.7Very high88.5Confident65 Ų6571.7 Ų71.735%0.34835%0.348SS..  trans-80.978.6-177.7-174.4-3.8000111.4A9 N12 Q16 S17 I18A9-D14 HydrophobicContact CB-CB 4.26Å; A9-D14 PolarHBondContact O-N 3.28Å; N12-D14 PolarHBondContact O-N 3.25Å; D14-Q16 PolarHBondContact O-N 3.09Å; D14-Q16 PolarHBondContact OD1-N 3.1Å; D14-S17 VanDerWaalsContact CG-CB 3.42Å; D14-S17 VanDerWaalsContact CG-OG 3.25Å; D14-S17 PolarHBondContact O-N 3.09Å; D14-S17 PolarHBondContact OD1-N 3.25Å; D14-S17 WeakPolarHBondContact OD2-CB 3.46Å; D14-S17 PolarHBondContact OD2-OG 3.28Å; D14-I18 WeakPolarHBondContact O-CG1 3.43Å; D14-I18 PolarHBondContact O-N 2.94Å; D14-I18 VanDerWaalsContact O-N 3.08Å
15L94.5Very high87.9Confident35 Ų3566.7 Ų66.718%0.18332%0.324CS..Hα-helixtrans-59.7-29.6178.4179.560.3000113.1G13 I18 K19 E49 I50 Y53G13-L15 VanDerWaalsContact C-N 3.32Å; G13-L15 PolarHBondContact O-N 3.45Å; L15-I18 PolarHBondContact O-N 3.39Å; L15-K19 HydrophobicContact CD1-CD 4.42Å; L15-K19 HydrophobicContact CD1-CG 4.28Å; L15-K19 HydrophobicContact CG-CD 4.1Å; L15-K19 HydrophobicContact CG-CG 4.43Å; L15-K19 WeakPolarHBondContact O-CB 3.13Å; L15-K19 VanDerWaalsContact O-CG 3.3Å; L15-K19 WeakPolarHBondContact O-CG 3.16Å; L15-K19 PolarHBondContact O-N 2.97Å; L15-E49 HydrophobicContact CD2-CB 4.38Å; L15-I50 HydrophobicContact CB-CG1 4.36Å; L15-I50 HydrophobicContact CD1-CG1 4.25Å; L15-Y53 HydrophobicContact CD1-CD1 3.99Å; L15-Y53 HydrophobicContact CD1-CD2 4.34Å; L15-Y53 HydrophobicContact CD1-CG 3.72Å
16Q92.7Very high87.1Confident117 Ų11766.6 Ų66.655%0.54734%0.335SS..Hα-helixtrans-69.4-46.4179.1-66.1-61.2-11.700110.4D14 I18 K19 E20D14-Q16 PolarHBondContact O-N 3.09Å; D14-Q16 PolarHBondContact OD1-N 3.1Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 3.37Å; Q16-K19 PolarHBondContact O-N 3.14Å; Q16-K19 VanDerWaalsContact O-N 3.13Å; Q16-E20 WeakPolarHBondContact O-CG 3.47Å; Q16-E20 PolarHBondContact O-N 3.38Å
17S90.3Very high87Confident29 Ų2968.1 Ų68.120%0.20335%0.35CS..Hα-helixtrans-57.9-41.7171.8-75.10000111.6D14 K19 E20 N21D14-S17 VanDerWaalsContact CG-CB 3.42Å; D14-S17 VanDerWaalsContact CG-OG 3.25Å; D14-S17 PolarHBondContact O-N 3.09Å; D14-S17 PolarHBondContact OD1-N 3.25Å; D14-S17 WeakPolarHBondContact OD2-CB 3.46Å; D14-S17 PolarHBondContact OD2-OG 3.28Å; S17-K19 PolarHBondContact O-N 2.92Å; S17-E20 PolarHBondContact O-N 3.28Å; S17-N21 VanDerWaalsContact O-CB 3.25Å; S17-N21 WeakPolarHBondContact O-CB 3.41Å; S17-N21 PolarHBondContact O-N 3.04Å; S17-N21 PolarHBondContact O-ND2 3.16Å
18I90.7Very high87Confident0 Ų067.4 Ų67.40%035%0.347CS..Hα-helixtrans-59-49.6174.8-60.2-56.3000110.9L6 A9 V10 D14 L15 Q16 E20 N21 M22 L38 I50 Y53L6-I18 HydrophobicContact CD1-CD1 3.46Å; L6-I18 VanDerWaalsContact CD1-CD1 3.46Å; L6-I18 HydrophobicContact CG-CD1 4.17Å; A9-I18 HydrophobicContact CB-CD1 3.65Å; A9-I18 HydrophobicContact CB-CG1 4.26Å; V10-I18 HydrophobicContact CG2-CD1 3.6Å; V10-I18 HydrophobicContact CG2-CG1 4.47Å; D14-I18 WeakPolarHBondContact O-CG1 3.43Å; D14-I18 PolarHBondContact O-N 2.94Å; D14-I18 VanDerWaalsContact O-N 3.08Å; L15-I18 PolarHBondContact O-N 3.39Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 3.37Å; I18-E20 PolarHBondContact O-N 2.82Å; I18-N21 PolarHBondContact O-N 2.97Å; I18-M22 HydrophobicContact CG2-CG 3.81Å; I18-M22 WeakPolarHBondContact O-CB 3.25Å; I18-M22 WeakPolarHBondContact O-CG 3.38Å; I18-M22 PolarHBondContact O-N 3.38Å; I18-L38 HydrophobicContact CD1-CD2 4.36Å; I18-L38 HydrophobicContact CG2-CD2 4.27Å; I18-I50 HydrophobicContact CG1-CD1 4.05Å; I18-I50 HydrophobicContact CG1-CG2 4.41Å; I18-Y53 HydrophobicContact CG2-CD1 4.12Å; I18-Y53 HydrophobicContact CG2-CE1 4.04Å
19K90.2Very high87.1Confident66 Ų6662.9 Ų62.929%0.28734%0.336SS..Hα-helixtrans-61.2-42.2-178.8-77.4169.9177.3173.50113L15 Q16 S17 K23 Y53L15-K19 HydrophobicContact CD1-CD 4.42Å; L15-K19 HydrophobicContact CD1-CG 4.28Å; L15-K19 HydrophobicContact CG-CD 4.1Å; L15-K19 HydrophobicContact CG-CG 4.43Å; L15-K19 WeakPolarHBondContact O-CB 3.13Å; L15-K19 VanDerWaalsContact O-CG 3.3Å; L15-K19 WeakPolarHBondContact O-CG 3.16Å; L15-K19 PolarHBondContact O-N 2.97Å; Q16-K19 PolarHBondContact O-N 3.14Å; Q16-K19 VanDerWaalsContact O-N 3.13Å; S17-K19 PolarHBondContact O-N 2.92Å; K19-K23 WeakPolarHBondContact O-CG 3.33Å; K19-Y53 HydrophobicContact CD-CE2 4.31Å; K19-Y53 HydrophobicContact CG-CD2 4.16Å; K19-Y53 HydrophobicContact CG-CE1 4.13Å; K19-Y53 HydrophobicContact CG-CE2 3.63Å
20E86.7Confident87Confident118 Ų11863.8 Ų63.855%0.55134%0.342SS*.Hα-helixtrans-66.8-43.7179.2-72.7179.9174.300111.3Q16 S17 I18Q16-E20 WeakPolarHBondContact O-CG 3.47Å; Q16-E20 PolarHBondContact O-N 3.38Å; S17-E20 PolarHBondContact O-N 3.28Å; I18-E20 PolarHBondContact O-N 2.82Å
21N81.5Confident86.8Confident37 Ų3768.3 Ų68.320%0.19837%0.37CS..Hα-helixtrans-80.2-29.3-174.7-73.7-65.4000113.5M1 L6 S17 I18 K23 N24M1-N21 HydrophobicContact CE-CB 3.44Å; M1-N21 VanDerWaalsContact CE-CB 3.44Å; M1-N21 HydrophobicContact SD-CB 3.53Å; M1-N21 VanDerWaalsContact SD-CB 3.53Å; M1-N21 PolarHBondContact SD-OD1 3.42Å; L6-N21 HydrophobicContact CD1-CB 4.12Å; S17-N21 VanDerWaalsContact O-CB 3.25Å; S17-N21 WeakPolarHBondContact O-CB 3.41Å; S17-N21 PolarHBondContact O-N 3.04Å; S17-N21 PolarHBondContact O-ND2 3.16Å; I18-N21 PolarHBondContact O-N 2.97Å; N21-K23 VanDerWaalsContact C-N 3.28Å; N21-K23 PolarHBondContact O-N 2.75Å; N21-N24 PolarHBondContact O-N 3.41Å
22M81.6Confident86.6Confident24 Ų2464.8 Ų64.812%0.11835%0.354CS..Hα-helixtrans-67.2-25.1177-80.4-68.9-74.400113.4I18 N24 F25 V28 L38 L54I18-M22 HydrophobicContact CG2-CG 3.81Å; I18-M22 WeakPolarHBondContact O-CB 3.25Å; I18-M22 WeakPolarHBondContact O-CG 3.38Å; I18-M22 PolarHBondContact O-N 3.38Å; M22-N24 PolarHBondContact O-N 2.92Å; M22-N24 VanDerWaalsContact O-N 3.12Å; M22-F25 PolarHBondContact O-N 3.49Å; M22-F25 VanDerWaalsContact O-N 3.1Å; M22-F25 HydrophobicContact SD-CB 3.97Å; M22-F25 HydrophobicContact SD-CD1 3.69Å; M22-F25 HydrophobicContact SD-CG 4.11Å; M22-V28 HydrophobicContact CE-CB 3.74Å; M22-V28 HydrophobicContact CE-CG2 3.86Å; M22-L38 HydrophobicContact SD-CD2 4.33Å; M22-L54 HydrophobicContact CE-CD2 4.21Å
23K73.2Confident86.4Confident167 Ų16768 Ų6873%0.72636%0.364SS*.THydrogen-bonded Turntrans-56-30.2177.1-73.6171.8-176.1176.90113.5K19 N21K19-K23 WeakPolarHBondContact O-CG 3.33Å; N21-K23 VanDerWaalsContact C-N 3.28Å; N21-K23 PolarHBondContact O-N 2.75Å
24N68.8Low86.4Confident154 Ų15470.4 Ų70.482%0.82437%0.37SS*.THydrogen-bonded Turntrans-110.63.3-178.1-60.7-36.8000112.6N21 M22N21-N24 PolarHBondContact O-N 3.41Å; M22-N24 PolarHBondContact O-N 2.92Å; M22-N24 VanDerWaalsContact O-N 3.12Å
25F68.5Low86.3Confident52 Ų5268.7 Ų68.723%0.22837%0.367CS..SBendtrans-85.8149.2-172.5-164.2-113.6000111.3L6 M22 G27 S30 F32L6-F25 HydrophobicContact CD2-CD1 4.49Å; L6-F25 HydrophobicContact CD2-CD2 4.29Å; L6-F25 HydrophobicContact CD2-CE1 4.23Å; L6-F25 HydrophobicContact CD2-CE2 4.05Å; L6-F25 HydrophobicContact CD2-CZ 4.03Å; M22-F25 PolarHBondContact O-N 3.49Å; M22-F25 VanDerWaalsContact O-N 3.1Å; M22-F25 HydrophobicContact SD-CB 3.97Å; M22-F25 HydrophobicContact SD-CD1 3.69Å; M22-F25 HydrophobicContact SD-CG 4.11Å; F25-G27 WeakPolarHBondContact CD1-O 3.47Å; F25-G27 PolarHBondContact O-N 3.13Å; F25-S30 VanDerWaalsContact CE1-CB 3.43Å; F25-S30 WeakPolarHBondContact CE1-OG 3.49Å; F25-F32 HydrophobicContact CE1-CZ 4.23Å; F25-F32 HydrophobicContact CZ-CE1 4.17Å; F25-F32 AromaticContact CZ-CZ 3.7Å; F25-F32 HydrophobicContact CZ-CZ 3.7Å
26S69Low86.4Confident105 Ų10568.5 Ų68.573%0.73436%0.364SS*.SBendtrans-65.68.5-171.949.70000115.7S30S26-S30 PolarHBondContact OG-OG 2.95Å
27G85.6Confident86.5Confident32 Ų3263 Ų6333%0.3334%0.339SS..  trans127.9145.317900000112F25 N29 S30F25-G27 WeakPolarHBondContact CD1-O 3.47Å; F25-G27 PolarHBondContact O-N 3.13Å; G27-N29 PolarHBondContact O-N 3.35Å; G27-N29 VanDerWaalsContact O-N 3.12Å; G27-S30 WeakPolarHBondContact O-CB 3.28Å; G27-S30 PolarHBondContact O-N 2.91Å; G27-S30 PolarHBondContact O-OG 3.44Å
28V90.5Very high86.8Confident20 Ų2061.8 Ų61.812%0.12133%0.33CS..THydrogen-bonded Turntrans-57.2-26.1-179.567.40000113.6M22 L54 N57 G58 A59M22-V28 HydrophobicContact CE-CB 3.74Å; M22-V28 HydrophobicContact CE-CG2 3.86Å; V28-L54 HydrophobicContact CG2-CB 4.31Å; V28-L54 HydrophobicContact CG2-CD2 3.75Å; V28-N57 WeakPolarHBondContact CG1-O 3.29Å; V28-G58 WeakPolarHBondContact CG1-O 3.14Å; V28-A59 HydrophobicContact CG2-CB 3.78Å
29N93.8Very high87.1Confident71 Ų7161.9 Ų61.938%0.3833%0.33SS..THydrogen-bonded Turntrans-96.814.3-179.7-64.3-40.7000113.6G27 T31 G58 A59 D60G27-N29 PolarHBondContact O-N 3.35Å; G27-N29 VanDerWaalsContact O-N 3.12Å; N29-T31 PolarHBondContact O-N 3.49Å; N29-G58 PolarHBondContact ND2-O 3.06Å; N29-A59 VanDerWaalsContact OD1-CA 3.29Å; N29-A59 WeakPolarHBondContact OD1-CA 3.49Å; N29-D60 PolarHBondContact OD1-N 3Å
30S91.9Very high87.5Confident24 Ų2458.7 Ų58.717%0.16832%0.317CS..  trans-62.4141.2174-49.30000110.3F25 S26 G27F25-S30 VanDerWaalsContact CE1-CB 3.43Å; F25-S30 WeakPolarHBondContact CE1-OG 3.49Å; S26-S30 PolarHBondContact OG-OG 2.95Å; G27-S30 WeakPolarHBondContact O-CB 3.28Å; G27-S30 PolarHBondContact O-N 2.91Å; G27-S30 PolarHBondContact O-OG 3.44Å
31T92.1Very high88Confident95 Ų9554.3 Ų54.358%0.58330%0.295SS*.BIsolated β-bridgetrans-96146.6-178.756.70000111.6N29 R36 T37N29-T31 PolarHBondContact O-N 3.49Å; T31-R36 CarbonylContact C-O 3.55Å; T31-R36 WeakPolarHBondContact CA-O 3.19Å; T31-T37 HydrophobicContact CG2-CG2 4.14Å
32F91Very high88.8Confident30 Ų3052.6 Ų52.613%0.13229%0.286CS..  trans-108.2-152.6172.8-59.2-87.4000109.7L6 L7 F25 G35 R36 L38 Y41L6-F32 HydrophobicContact CD2-CE1 4.49Å; L6-F32 HydrophobicContact CD2-CZ 3.91Å; L7-F32 HydrophobicContact CD1-CD1 4.11Å; L7-F32 HydrophobicContact CD1-CG 4.39Å; L7-F32 HydrophobicContact CD2-CD1 4.24Å; L7-F32 HydrophobicContact CD2-CD2 4.25Å; L7-F32 HydrophobicContact CD2-CE1 4.34Å; L7-F32 HydrophobicContact CD2-CE2 4.38Å; L7-F32 HydrophobicContact CD2-CG 4.21Å; L7-F32 HydrophobicContact CD2-CZ 4.44Å; L7-F32 HydrophobicContact CG-CD1 4.22Å; L7-F32 HydrophobicContact CG-CE1 4.35Å; F25-F32 HydrophobicContact CE1-CZ 4.23Å; F25-F32 HydrophobicContact CZ-CE1 4.17Å; F25-F32 AromaticContact CZ-CZ 3.7Å; F25-F32 HydrophobicContact CZ-CZ 3.7Å; F32-G35 PolarHBondContact O-N 2.89Å; F32-R36 WeakPolarHBondContact CD2-O 3.19Å; F32-R36 PolarHBondContact N-O 2.87Å; F32-L38 HydrophobicContact CD2-CD1 4.4Å; F32-L38 HydrophobicContact CE2-CB 4.15Å; F32-L38 HydrophobicContact CE2-CD1 3.39Å; F32-L38 HydrophobicContact CE2-CG 4.4Å; F32-L38 HydrophobicContact CZ-CD1 3.48Å; F32-L38 VanDerWaalsContact CZ-CD1 3.48Å; F32-Y41 HydrophobicContact CB-CE2 3.9Å; F32-Y41 HydrophobicContact CD2-CD2 4.38Å; F32-Y41 AromaticContact CD2-CE2 3.99Å; F32-Y41 HydrophobicContact CD2-CE2 3.99Å; F32-Y41 HydrophobicContact CG-CE2 4.14Å
33K91.4Very high89.6Confident158 Ų15851.4 Ų51.469%0.68728%0.28SS*.G310 helixtrans-58.3139.8178.2-168.7175.8179.7-178.80110.5G35 R36K33-G35 PolarHBondContact O-N 2.97Å; K33-R36 PolarHBondContact O-N 3.27Å
34N93.9Very high90.8Very high80 Ų8044.9 Ų44.943%0.42825%0.253SS..G310 helixtrans5926.2-179.4-50.3-28.1000113.8R36 G66 F67N34-R36 PolarHBondContact O-N 3.4Å; N34-G66 WeakPolarHBondContact O-CA 3.21Å; N34-G66 PolarHBondContact O-N 3.36Å; N34-F67 HydrophobicContact CB-CD2 4.25Å; N34-F67 HydrophobicContact CB-CE2 3.53Å; N34-F67 HydrophobicContact CB-CZ 4.17Å; N34-F67 WeakPolarHBondContact ND2-CE2 3.39Å
35G95Very high92.2Very high28 Ų2842 Ų4229%0.28923%0.231SC..G310 helixtrans72.93.3179.800000114.7F32 K33 T37F32-G35 PolarHBondContact O-N 2.89Å; K33-G35 PolarHBondContact O-N 2.97Å; G35-T37 PolarHBondContact O-N 3.5Å
36R96.4Very high93.6Very high32 Ų3240.6 Ų40.612%0.12123%0.232CC..  trans-65.2134.9177.6-68.8-169.1111.8-169.92.7110.4T31 F32 K33 N34 H40 Y41 D44 D65T31-R36 CarbonylContact C-O 3.55Å; T31-R36 WeakPolarHBondContact CA-O 3.19Å; F32-R36 WeakPolarHBondContact CD2-O 3.19Å; F32-R36 PolarHBondContact N-O 2.87Å; K33-R36 PolarHBondContact O-N 3.27Å; N34-R36 PolarHBondContact O-N 3.4Å; R36-H40 HydrophobicContact CB-CB 4.07Å; R36-H40 HydrophobicContact CG-CB 4.28Å; R36-Y41 HydrophobicContact CB-CD2 4.22Å; R36-Y41 HydrophobicContact CB-CE2 3.52Å; R36-D44 IonicContact CZ-OD1 3.6Å; R36-D44 IonicContact CZ-OD2 3.63Å; R36-D44 IonicContact NH1-OD1 2.78Å; R36-D44 IonicContact NH1-OD2 3.69Å; R36-D44 PolarHBondContact NH1-OD2 3.34Å; R36-D44 IonicContact NH2-OD1 3.76Å; R36-D44 PolarHBondContact NH2-OD1 2.57Å; R36-D44 IonicContact NH2-OD2 3.84Å; R36-D44 PolarHBondContact NH2-OD2 3.37Å; R36-D65 HydrophobicContact CB-CB 4.44Å; R36-D65 HydrophobicContact CG-CB 3.66Å; R36-D65 WeakPolarHBondContact CG-OD2 3.39Å; R36-D65 IonicContact NE-OD2 2.8Å
37T95.2Very high95Very high2 Ų237.3 Ų37.31%0.01221%0.205CC..BIsolated β-bridgetrans-92.2171.9170.362.40000110.8T31 G35 I39 H40 Y41 V63T31-T37 HydrophobicContact CG2-CG2 4.14Å; G35-T37 PolarHBondContact O-N 3.5Å; T37-I39 PolarHBondContact O-N 3.25Å; T37-I39 WeakPolarHBondContact OG1-CG2 3.1Å; T37-H40 PolarHBondContact N-ND1 3.48Å; T37-H40 WeakPolarHBondContact O-CB 3.43Å; T37-H40 PolarHBondContact O-N 3Å; T37-H40 VanDerWaalsContact O-N 3.08Å; T37-H40 PolarHBondContact OG1-ND1 2.98Å; T37-Y41 WeakPolarHBondContact O-CD2 3.45Å; T37-Y41 PolarHBondContact O-N 3.28Å; T37-V63 HydrophobicContact CG2-CG1 4.17Å; T37-V63 HydrophobicContact CG2-CG2 4.14Å
38L95.1Very high95.6Very high2 Ų239.3 Ų39.31%0.0121%0.205CC..Hα-helixtrans-60.8-33.2-179.3-146.273.5000113L6 L7 V10 I18 M22 F32 H40 Y41 A42 L54L6-L38 HydrophobicContact CD1-CD2 4.34Å; L6-L38 HydrophobicContact CD2-CD1 3.69Å; L6-L38 HydrophobicContact CD2-CD2 4.05Å; L6-L38 HydrophobicContact CG-CD1 3.77Å; L6-L38 HydrophobicContact CG-CD2 4.14Å; L7-L38 HydrophobicContact CD2-CD1 4.05Å; V10-L38 HydrophobicContact CG2-CD1 3.98Å; V10-L38 HydrophobicContact CG2-CD2 4.27Å; V10-L38 HydrophobicContact CG2-CG 3.88Å; I18-L38 HydrophobicContact CD1-CD2 4.36Å; I18-L38 HydrophobicContact CG2-CD2 4.27Å; M22-L38 HydrophobicContact SD-CD2 4.33Å; F32-L38 HydrophobicContact CD2-CD1 4.4Å; F32-L38 HydrophobicContact CE2-CB 4.15Å; F32-L38 HydrophobicContact CE2-CD1 3.39Å; F32-L38 HydrophobicContact CE2-CG 4.4Å; F32-L38 HydrophobicContact CZ-CD1 3.48Å; F32-L38 VanDerWaalsContact CZ-CD1 3.48Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.08Å; L38-Y41 PolarHBondContact O-N 3.2Å; L38-A42 PolarHBondContact O-N 3.08Å; L38-L54 HydrophobicContact CB-CD1 3.94Å; L38-L54 HydrophobicContact CB-CD2 4.41Å; L38-L54 HydrophobicContact CD2-CD1 4.15Å; L38-L54 HydrophobicContact CD2-CD2 3.82Å; L38-L54 HydrophobicContact CG-CD1 4.19Å
39I97.9Very high95.9Very high2 Ų243.8 Ų43.81%0.0122%0.224CC..Hα-helixtrans-69.9-28.2177.5-170168.3000112.4T37 A42 A43 L54 I55 A59 I61 V63 P71 L87T37-I39 PolarHBondContact O-N 3.25Å; T37-I39 WeakPolarHBondContact OG1-CG2 3.1Å; I39-A42 PolarHBondContact O-N 2.78Å; I39-A43 VanDerWaalsContact O-CB 3.29Å; I39-A43 WeakPolarHBondContact O-CB 3.44Å; I39-A43 PolarHBondContact O-N 3Å; I39-L54 HydrophobicContact CB-CD1 4.14Å; I39-I55 HydrophobicContact CD1-CD1 4.34Å; I39-I55 HydrophobicContact CD1-CG1 3.75Å; I39-A59 HydrophobicContact CB-CB 4.36Å; I39-A59 HydrophobicContact CD1-CB 4.07Å; I39-A59 HydrophobicContact CG2-CB 4.38Å; I39-I61 HydrophobicContact CD1-CG1 4.16Å; I39-V63 HydrophobicContact CG2-CG1 4.45Å; I39-P71 HydrophobicContact CG1-CB 4.1Å; I39-P71 HydrophobicContact CG1-CG 4.33Å; I39-P71 HydrophobicContact CG2-CB 4.38Å; I39-P71 HydrophobicContact CG2-CG 3.7Å; I39-L87 HydrophobicContact CD1-CD2 4Å; I39-L87 HydrophobicContact CG1-CD2 4.46Å
40H98.3Very high96.1Very high0 Ų040.4 Ų40.40%021%0.206CC..Hα-helixtrans-61-51.8170.8-71.592.2000110.4R36 T37 L38 A42 A43 D44 V63 D65 V69R36-H40 HydrophobicContact CB-CB 4.07Å; R36-H40 HydrophobicContact CG-CB 4.28Å; T37-H40 PolarHBondContact N-ND1 3.48Å; T37-H40 WeakPolarHBondContact O-CB 3.43Å; T37-H40 PolarHBondContact O-N 3Å; T37-H40 VanDerWaalsContact O-N 3.08Å; T37-H40 PolarHBondContact OG1-ND1 2.98Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.08Å; H40-A42 VanDerWaalsContact C-N 3.34Å; H40-A42 PolarHBondContact O-N 2.93Å; H40-A43 PolarHBondContact O-N 3.48Å; H40-D44 VanDerWaalsContact O-CB 3.23Å; H40-D44 WeakPolarHBondContact O-CB 3.17Å; H40-D44 PolarHBondContact O-N 3.36Å; H40-V63 VanDerWaalsContact CE1-CG1 3.47Å; H40-V63 WeakPolarHBondContact CE1-CG1 3.19Å; H40-V63 PolarHBondContact NE2-O 3.5Å; H40-D65 PolarHBondContact NE2-N 2.87Å; H40-V69 PolarHBondContact CD2-O 2.82Å; H40-V69 PolarHBondContact NE2-O 3.1Å
41Y97.3Very high96.5Very high26 Ų2639.3 Ų39.310%0.10220%0.198CC..Hα-helixtrans-64-38.3-180-68.3-80.7000112.6L7 F32 R36 T37 L38 A43 D44 Y45L7-Y41 HydrophobicContact CD1-CE1 4.49Å; L7-Y41 HydrophobicContact CD1-CE2 4.41Å; L7-Y41 HydrophobicContact CD2-CD1 4.16Å; L7-Y41 HydrophobicContact CD2-CD2 3.43Å; L7-Y41 VanDerWaalsContact CD2-CD2 3.43Å; L7-Y41 HydrophobicContact CD2-CE1 4.3Å; L7-Y41 HydrophobicContact CD2-CE2 3.61Å; L7-Y41 HydrophobicContact CD2-CG 3.72Å; F32-Y41 HydrophobicContact CB-CE2 3.9Å; F32-Y41 HydrophobicContact CD2-CD2 4.38Å; F32-Y41 AromaticContact CD2-CE2 3.99Å; F32-Y41 HydrophobicContact CD2-CE2 3.99Å; F32-Y41 HydrophobicContact CG-CE2 4.14Å; R36-Y41 HydrophobicContact CB-CD2 4.22Å; R36-Y41 HydrophobicContact CB-CE2 3.52Å; T37-Y41 WeakPolarHBondContact O-CD2 3.45Å; T37-Y41 PolarHBondContact O-N 3.28Å; L38-Y41 PolarHBondContact O-N 3.2Å; Y41-A43 VanDerWaalsContact C-N 3.33Å; Y41-A43 PolarHBondContact O-N 3.21Å; Y41-D44 PolarHBondContact O-N 2.86Å; Y41-Y45 HydrophobicContact CD1-CE2 4.14Å; Y41-Y45 WeakPolarHBondContact O-CB 3.23Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.47Å; Y41-Y45 PolarHBondContact O-N 2.79Å
42A98.2Very high96.8Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-63.3-41.9177.100000111.3V10 L38 I39 H40 G46 Q47 I50 C51 L54V10-A42 HydrophobicContact CG1-CB 4.02Å; L38-A42 PolarHBondContact O-N 3.08Å; I39-A42 PolarHBondContact O-N 2.78Å; H40-A42 VanDerWaalsContact C-N 3.34Å; H40-A42 PolarHBondContact O-N 2.93Å; A42-G46 PolarHBondContact O-N 3.32Å; A42-G46 VanDerWaalsContact O-N 3.16Å; A42-Q47 HydrophobicContact CB-CB 4.32Å; A42-Q47 PolarHBondContact O-N 3.45Å; A42-I50 HydrophobicContact CB-CB 4.13Å; A42-I50 HydrophobicContact CB-CG2 3.74Å; A42-C51 VanDerWaalsContact C-SG 3.56Å; A42-C51 WeakPolarHBondContact CB-SG 3.46Å; A42-L54 HydrophobicContact CB-CD1 4.25Å
43A98.7Very high97Very high0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-67.4-42.517600000112.5I39 H40 Y41 Y45 G46 C51 P71 A75 H80 L87I39-A43 VanDerWaalsContact O-CB 3.29Å; I39-A43 WeakPolarHBondContact O-CB 3.44Å; I39-A43 PolarHBondContact O-N 3Å; H40-A43 PolarHBondContact O-N 3.48Å; Y41-A43 VanDerWaalsContact C-N 3.33Å; Y41-A43 PolarHBondContact O-N 3.21Å; A43-Y45 VanDerWaalsContact C-N 3.31Å; A43-Y45 PolarHBondContact O-N 2.94Å; A43-G46 PolarHBondContact O-N 3.47Å; A43-C51 PolarHBondContact N-SG 3.22Å; A43-P71 HydrophobicContact CB-CB 4.21Å; A43-P71 WeakPolarHBondContact CB-O 3.45Å; A43-A75 HydrophobicContact CB-CB 4.09Å; A43-H80 PolarHBondContact O-CD2 3.39Å; A43-L87 HydrophobicContact CB-CD1 4.06Å
44D97.7Very high97.3Very high30 Ų3030.5 Ų30.516%0.1615%0.154CC..Hα-helixtrans-62.1-33177-157.166.7000113R36 H40 Y41 A74 E78 H80R36-D44 IonicContact CZ-OD1 3.6Å; R36-D44 IonicContact CZ-OD2 3.63Å; R36-D44 IonicContact NH1-OD1 2.78Å; R36-D44 IonicContact NH1-OD2 3.69Å; R36-D44 PolarHBondContact NH1-OD2 3.34Å; R36-D44 IonicContact NH2-OD1 3.76Å; R36-D44 PolarHBondContact NH2-OD1 2.57Å; R36-D44 IonicContact NH2-OD2 3.84Å; R36-D44 PolarHBondContact NH2-OD2 3.37Å; H40-D44 VanDerWaalsContact O-CB 3.23Å; H40-D44 WeakPolarHBondContact O-CB 3.17Å; H40-D44 PolarHBondContact O-N 3.36Å; Y41-D44 PolarHBondContact O-N 2.86Å; D44-A74 HydrophobicContact CB-CB 4.33Å; D44-E78 WeakPolarHBondContact O-CG 3.29Å; D44-H80 PolarHBondContact O-NE2 3.39Å; D44-H80 VanDerWaalsContact O-NE2 3.1Å
45Y98Very high97.5Very high92 Ų9227.8 Ų27.836%0.36114%0.139SC..THydrogen-bonded Turntrans-98.15.2178-68.4-52.9000113.6V10 K11 Y41 A43 Q47V10-Y45 HydrophobicContact CG1-CD2 4.15Å; K11-Y45 HydrophobicContact CB-CD2 4.11Å; K11-Y45 HydrophobicContact CB-CE2 3.94Å; K11-Y45 HydrophobicContact CD-CE1 4.46Å; K11-Y45 HydrophobicContact CG-CD1 4.31Å; K11-Y45 HydrophobicContact CG-CD2 4.49Å; K11-Y45 HydrophobicContact CG-CE1 4.12Å; K11-Y45 HydrophobicContact CG-CE2 4.27Å; Y41-Y45 HydrophobicContact CD1-CE2 4.14Å; Y41-Y45 WeakPolarHBondContact O-CB 3.23Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.47Å; Y41-Y45 PolarHBondContact O-N 2.79Å; A43-Y45 VanDerWaalsContact C-N 3.31Å; A43-Y45 PolarHBondContact O-N 2.94Å; Y45-Q47 VanDerWaalsContact C-N 3.28Å; Y45-Q47 PolarHBondContact O-N 2.94Å
46G98.2Very high97.5Very high24 Ų2435.6 Ų35.625%0.24716%0.16CC..THydrogen-bonded Turntrans7022.3177.900000114.8A42 A43 K48 H80A42-G46 PolarHBondContact O-N 3.32Å; A42-G46 VanDerWaalsContact O-N 3.16Å; A43-G46 PolarHBondContact O-N 3.47Å; G46-K48 VanDerWaalsContact C-N 3.34Å; G46-K48 PolarHBondContact O-N 2.99Å; G46-H80 WeakPolarHBondContact CA-CD2 3.21Å; G46-H80 PolarHBondContact N-CD2 2.81Å; G46-H80 PolarHBondContact N-NE2 2.9Å
47Q98.4Very high97.5Very high35 Ų3538 Ų3816%0.16418%0.175CC..  trans-85.372.5-173.4-57.9-68.8-6.500111.3V10 K11 G13 A42 Y45 E49 I50 C51V10-Q47 HydrophobicContact CG1-CG 4.44Å; V10-Q47 VanDerWaalsContact O-CG 3.23Å; V10-Q47 WeakPolarHBondContact O-CG 3.21Å; V10-Q47 PolarHBondContact O-NE2 2.72Å; K11-Q47 PolarHBondContact O-NE2 2.74Å; G13-Q47 VanDerWaalsContact CA-CD 3.43Å; A42-Q47 HydrophobicContact CB-CB 4.32Å; A42-Q47 PolarHBondContact O-N 3.45Å; Y45-Q47 VanDerWaalsContact C-N 3.28Å; Y45-Q47 PolarHBondContact O-N 2.94Å; Q47-E49 VanDerWaalsContact C-N 3.32Å; Q47-E49 PolarHBondContact O-N 3.31Å; Q47-I50 HydrophobicContact CB-CB 3.98Å; Q47-I50 HydrophobicContact CB-CD1 4.05Å; Q47-I50 HydrophobicContact CB-CG1 4.18Å; Q47-I50 HydrophobicContact CG-CD1 4.41Å; Q47-I50 PolarHBondContact O-N 3Å; Q47-C51 PolarHBondContact O-N 3.05Å
48K98.5Very high97.5Very high74 Ų7440.3 Ų40.332%0.32220%0.199SC..Hα-helixtrans-51.7-46.9-175.1-176.1-164.5-169159.70113G46 I50 C51 D52 D82 L86G46-K48 VanDerWaalsContact C-N 3.34Å; G46-K48 PolarHBondContact O-N 2.99Å; K48-I50 VanDerWaalsContact C-N 3.28Å; K48-I50 PolarHBondContact O-N 3.32Å; K48-C51 WeakPolarHBondContact O-CB 3.3Å; K48-C51 PolarHBondContact O-N 3.42Å; K48-D52 PolarHBondContact O-N 3Å; K48-D82 HydrophobicContact CB-CB 4.45Å; K48-D82 HydrophobicContact CD-CB 3.97Å; K48-D82 HydrophobicContact CG-CB 4.38Å; K48-D82 IonicContact NZ-OD1 2.77Å; K48-D82 PolarHBondContact NZ-OD1 3.4Å; K48-L86 HydrophobicContact CG-CD2 3.95Å; K48-L86 VanDerWaalsContact O-CD2 3.31Å; K48-L86 WeakPolarHBondContact O-CD2 3.43Å
49E98.2Very high97.5Very high114 Ų11440.7 Ų40.753%0.53320%0.202SC..Hα-helixtrans-66.1-33.3-177.9-66.772.7-161.100111.8L15 Q47 Y53L15-E49 HydrophobicContact CD2-CB 4.38Å; Q47-E49 VanDerWaalsContact C-N 3.32Å; Q47-E49 PolarHBondContact O-N 3.31Å; E49-Y53 WeakPolarHBondContact O-CB 3.46Å; E49-Y53 PolarHBondContact O-N 3.21Å
50I97.9Very high97.5Very high1 Ų144.2 Ų44.21%0.00522%0.221CC..Hα-helixtrans-73.2-42.7174.9-61.9-178.5000109.8L15 I18 A42 Q47 K48 D52 Y53 L54L15-I50 HydrophobicContact CB-CG1 4.36Å; L15-I50 HydrophobicContact CD1-CG1 4.25Å; I18-I50 HydrophobicContact CG1-CD1 4.05Å; I18-I50 HydrophobicContact CG1-CG2 4.41Å; A42-I50 HydrophobicContact CB-CB 4.13Å; A42-I50 HydrophobicContact CB-CG2 3.74Å; Q47-I50 HydrophobicContact CB-CB 3.98Å; Q47-I50 HydrophobicContact CB-CD1 4.05Å; Q47-I50 HydrophobicContact CB-CG1 4.18Å; Q47-I50 HydrophobicContact CG-CD1 4.41Å; Q47-I50 PolarHBondContact O-N 3Å; K48-I50 VanDerWaalsContact C-N 3.28Å; K48-I50 PolarHBondContact O-N 3.32Å; I50-D52 PolarHBondContact O-N 3.25Å; I50-Y53 PolarHBondContact O-N 2.91Å; I50-L54 HydrophobicContact CG2-CD1 3.82Å; I50-L54 HydrophobicContact CG2-CG 4.22Å; I50-L54 WeakPolarHBondContact O-CB 3.43Å; I50-L54 WeakPolarHBondContact O-CG 3.33Å; I50-L54 PolarHBondContact O-N 2.91Å
51C98.5Very high97.5Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-54.1-51.1171.6-73.90000111.2A42 A43 Q47 K48 Y53 L54 I55 L86A42-C51 VanDerWaalsContact C-SG 3.56Å; A42-C51 WeakPolarHBondContact CB-SG 3.46Å; A43-C51 PolarHBondContact N-SG 3.22Å; Q47-C51 PolarHBondContact O-N 3.05Å; K48-C51 WeakPolarHBondContact O-CB 3.3Å; K48-C51 PolarHBondContact O-N 3.42Å; C51-Y53 PolarHBondContact O-N 3.46Å; C51-L54 PolarHBondContact O-N 3.41Å; C51-I55 WeakPolarHBondContact O-CB 3.47Å; C51-I55 WeakPolarHBondContact O-CD1 3.19Å; C51-I55 WeakPolarHBondContact O-CG1 3.44Å; C51-I55 PolarHBondContact O-N 3.05Å; C51-L86 HydrophobicContact CB-CD2 3.63Å
52D98.4Very high97.5Very high55 Ų5546.3 Ų46.329%0.29423%0.234SC..Hα-helixtrans-58.9-46.8179.4-178.559.2000111.4K48 I50 L54 I55 R56 L86K48-D52 PolarHBondContact O-N 3Å; I50-D52 PolarHBondContact O-N 3.25Å; D52-L54 PolarHBondContact O-N 3.47Å; D52-I55 PolarHBondContact O-N 3.39Å; D52-R56 WeakPolarHBondContact O-CB 2.99Å; D52-R56 WeakPolarHBondContact O-CG 3.27Å; D52-R56 PolarHBondContact O-N 2.84Å; D52-R56 WeakPolarHBondContact OD2-CD 3.39Å; D52-R56 IonicContact OD2-NH1 3.61Å; D52-L86 HydrophobicContact CB-CD1 4.38Å; D52-L86 HydrophobicContact CB-CD2 3.99Å
53Y96.8Very high97.5Very high44 Ų4447.6 Ų47.617%0.17324%0.242CC..Hα-helixtrans-58.4-46.7176.7175.6-102.3000112.1L15 I18 K19 E49 I50 C51 R56 N57L15-Y53 HydrophobicContact CD1-CD1 3.99Å; L15-Y53 HydrophobicContact CD1-CD2 4.34Å; L15-Y53 HydrophobicContact CD1-CG 3.72Å; I18-Y53 HydrophobicContact CG2-CD1 4.12Å; I18-Y53 HydrophobicContact CG2-CE1 4.04Å; K19-Y53 HydrophobicContact CD-CE2 4.31Å; K19-Y53 HydrophobicContact CG-CD2 4.16Å; K19-Y53 HydrophobicContact CG-CE1 4.13Å; K19-Y53 HydrophobicContact CG-CE2 3.63Å; E49-Y53 WeakPolarHBondContact O-CB 3.46Å; E49-Y53 PolarHBondContact O-N 3.21Å; I50-Y53 PolarHBondContact O-N 2.91Å; C51-Y53 PolarHBondContact O-N 3.46Å; Y53-R56 PolarHBondContact O-N 2.89Å; Y53-N57 WeakPolarHBondContact CD2-ND2 3.47Å; Y53-N57 WeakPolarHBondContact CE2-ND2 3.45Å; Y53-N57 PolarHBondContact O-N 2.99Å; Y53-N57 VanDerWaalsContact O-N 3.16Å; Y53-N57 PolarHBondContact O-ND2 3.23Å
54L96.8Very high97.4Very high0 Ų052.1 Ų52.10%027%0.266CS..Hα-helixtrans-64.9-44-179-67.7172.2000111.7M22 V28 L38 I39 A42 I50 C51 D52 R56 N57 G58 A59M22-L54 HydrophobicContact CE-CD2 4.21Å; V28-L54 HydrophobicContact CG2-CB 4.31Å; V28-L54 HydrophobicContact CG2-CD2 3.75Å; L38-L54 HydrophobicContact CB-CD1 3.94Å; L38-L54 HydrophobicContact CB-CD2 4.41Å; L38-L54 HydrophobicContact CD2-CD1 4.15Å; L38-L54 HydrophobicContact CD2-CD2 3.82Å; L38-L54 HydrophobicContact CG-CD1 4.19Å; I39-L54 HydrophobicContact CB-CD1 4.14Å; A42-L54 HydrophobicContact CB-CD1 4.25Å; I50-L54 HydrophobicContact CG2-CD1 3.82Å; I50-L54 HydrophobicContact CG2-CG 4.22Å; I50-L54 WeakPolarHBondContact O-CB 3.43Å; I50-L54 WeakPolarHBondContact O-CG 3.33Å; I50-L54 PolarHBondContact O-N 2.91Å; C51-L54 PolarHBondContact O-N 3.41Å; D52-L54 PolarHBondContact O-N 3.47Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.39Å; L54-N57 CarbonylContact O-C 3.44Å; L54-N57 WeakPolarHBondContact O-CA 3.48Å; L54-N57 PolarHBondContact O-N 3.47Å; L54-G58 PolarHBondContact O-N 3.4Å; L54-A59 VanDerWaalsContact C-CB 3.45Å; L54-A59 HydrophobicContact CB-CB 3.87Å; L54-A59 WeakPolarHBondContact O-CB 3.38Å; L54-A59 PolarHBondContact O-N 3.27Å
55I97.7Very high97.4Very high22 Ų2251.3 Ų51.311%0.11326%0.262CS..Hα-helixtrans-55.4-49.8175.5-70167000110.5I39 C51 D52 N57 G58 I61 L86 L87 N90I39-I55 HydrophobicContact CD1-CD1 4.34Å; I39-I55 HydrophobicContact CD1-CG1 3.75Å; C51-I55 WeakPolarHBondContact O-CB 3.47Å; C51-I55 WeakPolarHBondContact O-CD1 3.19Å; C51-I55 WeakPolarHBondContact O-CG1 3.44Å; C51-I55 PolarHBondContact O-N 3.05Å; D52-I55 PolarHBondContact O-N 3.39Å; I55-N57 PolarHBondContact O-N 2.84Å; I55-N57 VanDerWaalsContact O-N 3.14Å; I55-G58 PolarHBondContact O-N 3.11Å; I55-I61 HydrophobicContact CB-CD1 4.33Å; I55-I61 HydrophobicContact CD1-CD1 3.93Å; I55-I61 HydrophobicContact CD1-CG1 4.33Å; I55-I61 HydrophobicContact CG1-CD1 3.69Å; I55-I61 HydrophobicContact CG1-CG1 3.8Å; I55-I61 HydrophobicContact CG2-CD1 3.81Å; I55-L86 HydrophobicContact CD1-CD2 4.41Å; I55-L86 HydrophobicContact CD1-CG 4.38Å; I55-L87 HydrophobicContact CD1-CD2 4.11Å; I55-N90 HydrophobicContact CD1-CB 4.21Å; I55-N90 HydrophobicContact CG2-CB 4.19Å
56R96.4Very high97.3Very high193 Ų19349.9 Ų49.973%0.72827%0.274SS*.Hα-helixtrans-64.7-18.8179.5-67.9173.469.3138.68.1113.7D52 Y53 L54D52-R56 WeakPolarHBondContact O-CB 2.99Å; D52-R56 WeakPolarHBondContact O-CG 3.27Å; D52-R56 PolarHBondContact O-N 2.84Å; D52-R56 WeakPolarHBondContact OD2-CD 3.39Å; D52-R56 IonicContact OD2-NH1 3.61Å; Y53-R56 PolarHBondContact O-N 2.89Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.39Å
57N94.8Very high97.2Very high83 Ų8354.9 Ų54.944%0.44429%0.29SS..THydrogen-bonded Turntrans-99.613.9175.5-74-90.9000112.8V28 Y53 L54 I55V28-N57 WeakPolarHBondContact CG1-O 3.29Å; Y53-N57 WeakPolarHBondContact CD2-ND2 3.47Å; Y53-N57 WeakPolarHBondContact CE2-ND2 3.45Å; Y53-N57 PolarHBondContact O-N 2.99Å; Y53-N57 VanDerWaalsContact O-N 3.16Å; Y53-N57 PolarHBondContact O-ND2 3.23Å; L54-N57 CarbonylContact O-C 3.44Å; L54-N57 WeakPolarHBondContact O-CA 3.48Å; L54-N57 PolarHBondContact O-N 3.47Å; I55-N57 PolarHBondContact O-N 2.84Å; I55-N57 VanDerWaalsContact O-N 3.14Å
58G95.1Very high97.1Very high49 Ų4954.6 Ų54.651%0.50530%0.296SS..THydrogen-bonded Turntrans8724.4173.300000114.7V28 N29 L54 I55 D60V28-G58 WeakPolarHBondContact CG1-O 3.14Å; N29-G58 PolarHBondContact ND2-O 3.06Å; L54-G58 PolarHBondContact O-N 3.4Å; I55-G58 PolarHBondContact O-N 3.11Å; G58-D60 PolarHBondContact O-N 3.14Å
59A96.6Very high97.1Very high10 Ų1052 Ų528%0.08329%0.286CS..  trans-59.5133.4169.200000110.4V28 N29 I39 L54 I61V28-A59 HydrophobicContact CG2-CB 3.78Å; N29-A59 VanDerWaalsContact OD1-CA 3.29Å; N29-A59 WeakPolarHBondContact OD1-CA 3.49Å; I39-A59 HydrophobicContact CB-CB 4.36Å; I39-A59 HydrophobicContact CD1-CB 4.07Å; I39-A59 HydrophobicContact CG2-CB 4.38Å; L54-A59 VanDerWaalsContact C-CB 3.45Å; L54-A59 HydrophobicContact CB-CB 3.87Å; L54-A59 WeakPolarHBondContact O-CB 3.38Å; L54-A59 PolarHBondContact O-N 3.27Å; A59-I61 PolarHBondContact O-N 2.81Å
60D97.5Very high97.1Very high77 Ų7747.1 Ų47.141%0.41226%0.264SS..  trans-70.1116.7168.6-174.7-3.9000108.6N29 G58 N62 V63N29-D60 PolarHBondContact OD1-N 3Å; G58-D60 PolarHBondContact O-N 3.14Å; D60-N62 PolarHBondContact OD1-N 3.5Å; D60-V63 HydrophobicContact CB-CB 4.11Å; D60-V63 HydrophobicContact CB-CG1 4.39Å; D60-V63 VanDerWaalsContact O-CG1 3.23Å; D60-V63 WeakPolarHBondContact O-CG1 3.48Å; D60-V63 PolarHBondContact OD1-N 3.16Å
61I97.7Very high97.1Very high16 Ų1647 Ų478%0.08226%0.264CS..SBendtrans-80.3-23.3-177.9-63.6176.1000111.5I39 I55 A59 P71 L87 N90 A92I39-I61 HydrophobicContact CD1-CG1 4.16Å; I55-I61 HydrophobicContact CB-CD1 4.33Å; I55-I61 HydrophobicContact CD1-CD1 3.93Å; I55-I61 HydrophobicContact CD1-CG1 4.33Å; I55-I61 HydrophobicContact CG1-CD1 3.69Å; I55-I61 HydrophobicContact CG1-CG1 3.8Å; I55-I61 HydrophobicContact CG2-CD1 3.81Å; A59-I61 PolarHBondContact O-N 2.81Å; I61-P71 WeakPolarHBondContact O-CD 3.4Å; I61-L87 HydrophobicContact CG2-CD2 3.89Å; I61-N90 HydrophobicContact CD1-CB 3.65Å; I61-N90 WeakPolarHBondContact CD1-O 3.21Å; I61-A92 HydrophobicContact CG2-CB 3.49Å; I61-A92 VanDerWaalsContact CG2-CB 3.49Å
62N97.7Very high97.1Very high53 Ų5347.1 Ų47.128%0.28326%0.264SS..SBendtrans-107.810.8-173.3-67.7-61.4000112.8D60 G91 A92 K93D60-N62 PolarHBondContact OD1-N 3.5Å; N62-G91 PolarHBondContact ND2-O 3.44Å; N62-A92 WeakPolarHBondContact OD1-CA 3.35Å; N62-K93 PolarHBondContact OD1-N 3.42Å
63V97.2Very high97.1Very high28 Ų2844.5 Ų44.517%0.1725%0.25CS..  trans-60.9140175.159.30000110.4T37 I39 H40 D60 T70 P71T37-V63 HydrophobicContact CG2-CG1 4.17Å; T37-V63 HydrophobicContact CG2-CG2 4.14Å; I39-V63 HydrophobicContact CG2-CG1 4.45Å; H40-V63 VanDerWaalsContact CE1-CG1 3.47Å; H40-V63 WeakPolarHBondContact CE1-CG1 3.19Å; H40-V63 PolarHBondContact NE2-O 3.5Å; D60-V63 HydrophobicContact CB-CB 4.11Å; D60-V63 HydrophobicContact CB-CG1 4.39Å; D60-V63 VanDerWaalsContact O-CG1 3.23Å; D60-V63 WeakPolarHBondContact O-CG1 3.48Å; D60-V63 PolarHBondContact OD1-N 3.16Å; V63-T70 WeakPolarHBondContact O-CA 3.41Å; V63-P71 HydrophobicContact CG1-CG 4.1Å; V63-P71 WeakPolarHBondContact O-CD 3.48Å
64N97.1Very high97.2Very high95 Ų9542.4 Ų42.451%0.50824%0.242SC..  trans-95.3139.4169.8-71.9-35.3000109.5T70N64-T70 WeakPolarHBondContact OD1-CG2 3.42Å
65D97Very high97.2Very high13 Ų1342.4 Ų42.47%0.0724%0.242CC..  trans-74-178.3161.877.36.8000111.7R36 H40 F67 G68 V69R36-D65 HydrophobicContact CB-CB 4.44Å; R36-D65 HydrophobicContact CG-CB 3.66Å; R36-D65 WeakPolarHBondContact CG-OD2 3.39Å; R36-D65 IonicContact NE-OD2 2.8Å; H40-D65 PolarHBondContact NE2-N 2.87Å; D65-F67 PolarHBondContact O-N 2.93Å; D65-F67 WeakPolarHBondContact OD1-CA 3.45Å; D65-F67 WeakPolarHBondContact OD1-CB 3.49Å; D65-F67 PolarHBondContact OD1-N 2.88Å; D65-G68 PolarHBondContact O-N 3.25Å; D65-G68 PolarHBondContact OD1-N 3.21Å; D65-V69 PolarHBondContact N-O 3.47Å; D65-V69 PolarHBondContact OD1-N 2.95Å
66G97.1Very high97.3Very high61 Ų6141.4 Ų41.463%0.62924%0.237SC*.THydrogen-bonded Turntrans-65.3-7.1-179.200000114.7N34N34-G66 WeakPolarHBondContact O-CA 3.21Å; N34-G66 PolarHBondContact O-N 3.36Å
67F96.3Very high97.3Very high130 Ų13036.1 Ų36.157%0.5722%0.218SC*.THydrogen-bonded Turntrans-108.32.1173.8-54.6-69000112.7N34 D65 V69 P98N34-F67 HydrophobicContact CB-CD2 4.25Å; N34-F67 HydrophobicContact CB-CE2 3.53Å; N34-F67 HydrophobicContact CB-CZ 4.17Å; N34-F67 WeakPolarHBondContact ND2-CE2 3.39Å; D65-F67 PolarHBondContact O-N 2.93Å; D65-F67 WeakPolarHBondContact OD1-CA 3.45Å; D65-F67 WeakPolarHBondContact OD1-CB 3.49Å; D65-F67 PolarHBondContact OD1-N 2.88Å; F67-V69 HydrophobicContact CB-CG2 4.35Å; F67-P98 VanDerWaalsContact O-CB 3.27Å; F67-P98 WeakPolarHBondContact O-CB 3.38Å; F67-P98 WeakPolarHBondContact O-CG 3.37Å
68G96.3Very high97.4Very high29 Ų2937.5 Ų37.530%0.29922%0.222SC..SBendtrans81.413.9-176.700000113.8D65D65-G68 PolarHBondContact O-N 3.25Å; D65-G68 PolarHBondContact OD1-N 3.21Å
69V97.8Very high97.5Very high19 Ų1936.3 Ų36.312%0.11521%0.209CC..  trans-85.5126.9177.6179.50000108.7H40 D65 F67 L73 A74 P98H40-V69 PolarHBondContact CD2-O 2.82Å; H40-V69 PolarHBondContact NE2-O 3.1Å; D65-V69 PolarHBondContact N-O 3.47Å; D65-V69 PolarHBondContact OD1-N 2.95Å; F67-V69 HydrophobicContact CB-CG2 4.35Å; V69-L73 HydrophobicContact CG1-CB 4.06Å; V69-L73 HydrophobicContact CG1-CD2 4.25Å; V69-L73 HydrophobicContact CG1-CG 4.2Å; V69-L73 HydrophobicContact CG2-CD2 4.45Å; V69-A74 HydrophobicContact CG1-CB 4.18Å; V69-P98 HydrophobicContact CG2-CG 4.15Å
70T98Very high97.6Very high11 Ų1138.4 Ų38.47%0.06722%0.217CC..  trans-86.2162.7171.269.20000111.5V63 N64 L72 L73 A74 Y103V63-T70 WeakPolarHBondContact O-CA 3.41Å; N64-T70 WeakPolarHBondContact OD1-CG2 3.42Å; T70-L72 PolarHBondContact O-N 3.17Å; T70-L73 PolarHBondContact O-N 3.36Å; T70-L73 PolarHBondContact OG1-N 2.82Å; T70-A74 PolarHBondContact O-N 3.07Å; T70-Y103 PolarHBondContact OG1-OH 2.96Å
71P98.5Very high97.6Very high0 Ų037.8 Ų37.80%021%0.213CC..Hα-helixtrans-53.1-40.1171.2-28.635.2000113.1I39 A43 I61 V63 A74 A75 L87I39-P71 HydrophobicContact CG1-CB 4.1Å; I39-P71 HydrophobicContact CG1-CG 4.33Å; I39-P71 HydrophobicContact CG2-CB 4.38Å; I39-P71 HydrophobicContact CG2-CG 3.7Å; A43-P71 HydrophobicContact CB-CB 4.21Å; A43-P71 WeakPolarHBondContact CB-O 3.45Å; I61-P71 WeakPolarHBondContact O-CD 3.4Å; V63-P71 HydrophobicContact CG1-CG 4.1Å; V63-P71 WeakPolarHBondContact O-CD 3.48Å; P71-A74 PolarHBondContact O-N 3.14Å; P71-A75 PolarHBondContact O-N 3.41Å; P71-A75 VanDerWaalsContact O-N 3.14Å; P71-L87 HydrophobicContact CB-CD1 4.42Å; P71-L87 HydrophobicContact CB-CD2 4.43Å
72L98.5Very high97.6Very high1 Ų141.5 Ų41.51%0.00523%0.233CC..Hα-helixtrans-62.4-44.9176.1176.460000111.8T70 A74 A75 I76 V84 L87 L88 A92 L94 Y103T70-L72 PolarHBondContact O-N 3.17Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 3.43Å; L72-A75 PolarHBondContact O-N 3.33Å; L72-I76 HydrophobicContact CD1-CD1 4.03Å; L72-I76 HydrophobicContact CD1-CG1 4.3Å; L72-I76 HydrophobicContact CG-CD1 3.85Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.23Å; L72-I76 PolarHBondContact O-N 2.96Å; L72-V84 HydrophobicContact CD1-CB 4.38Å; L72-V84 HydrophobicContact CD1-CG1 4.06Å; L72-V84 HydrophobicContact CD1-CG2 4.43Å; L72-L87 HydrophobicContact CB-CD1 4.41Å; L72-L87 HydrophobicContact CD1-CB 4.18Å; L72-L88 HydrophobicContact CD1-CD2 4.38Å; L72-L88 HydrophobicContact CD1-CG 4.08Å; L72-L88 HydrophobicContact CD2-CD2 3.64Å; L72-L88 HydrophobicContact CD2-CG 4.23Å; L72-A92 HydrophobicContact CB-CB 4.06Å; L72-A92 HydrophobicContact CD2-CB 3.83Å; L72-A92 HydrophobicContact CG-CB 4.42Å; L72-L94 HydrophobicContact CD2-CD2 3.96Å; L72-Y103 HydrophobicContact CB-CE2 4.39Å; L72-Y103 HydrophobicContact CD2-CD2 4.09Å; L72-Y103 HydrophobicContact CD2-CE2 3.84Å; L72-Y103 HydrophobicContact CG-CD2 4.25Å; L72-Y103 HydrophobicContact CG-CE2 3.94Å
73L98.1Very high97.6Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-65.6-37.7179.7-174.858.4000112V69 T70 I76 Y77 A97 Y103 C106V69-L73 HydrophobicContact CG1-CB 4.06Å; V69-L73 HydrophobicContact CG1-CD2 4.25Å; V69-L73 HydrophobicContact CG1-CG 4.2Å; V69-L73 HydrophobicContact CG2-CD2 4.45Å; T70-L73 PolarHBondContact O-N 3.36Å; T70-L73 PolarHBondContact OG1-N 2.82Å; L73-I76 PolarHBondContact O-N 3.13Å; L73-Y77 HydrophobicContact CD1-CD2 4.22Å; L73-Y77 HydrophobicContact CD1-CE1 4.26Å; L73-Y77 HydrophobicContact CD1-CE2 3.8Å; L73-Y77 HydrophobicContact CD2-CE2 3.73Å; L73-Y77 HydrophobicContact CG-CD2 3.87Å; L73-Y77 HydrophobicContact CG-CE2 3.42Å; L73-Y77 VanDerWaalsContact CG-CE2 3.42Å; L73-Y77 WeakPolarHBondContact O-CD2 3.46Å; L73-Y77 PolarHBondContact O-N 2.92Å; L73-A97 HydrophobicContact CD1-CB 4.3Å; L73-A97 HydrophobicContact CD2-CB 3.79Å; L73-Y103 HydrophobicContact CB-CE1 4.27Å; L73-Y103 HydrophobicContact CB-CE2 4.19Å; L73-Y103 HydrophobicContact CD1-CD1 3.93Å; L73-Y103 HydrophobicContact CD1-CE1 3.83Å; L73-Y103 HydrophobicContact CD1-CG 4.35Å; L73-Y103 HydrophobicContact CD2-CE1 4.13Å; L73-Y103 HydrophobicContact CG-CE1 4.29Å; L73-C106 HydrophobicContact CD1-CB 4.07Å
74A97.9Very high97.7Very high1 Ų137.7 Ų37.71%0.00821%0.212CC..Hα-helixtrans-58.3-48.1173.100000111.8D44 V69 T70 P71 L72 I76 Y77 E78D44-A74 HydrophobicContact CB-CB 4.33Å; V69-A74 HydrophobicContact CG1-CB 4.18Å; T70-A74 PolarHBondContact O-N 3.07Å; P71-A74 PolarHBondContact O-N 3.14Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 3.43Å; A74-I76 VanDerWaalsContact C-N 3.28Å; A74-I76 PolarHBondContact O-N 3.09Å; A74-Y77 PolarHBondContact O-N 3.49Å; A74-E78 PolarHBondContact O-N 3.44Å; A74-E78 VanDerWaalsContact O-N 3.16Å
75A98.5Very high97.7Very high0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-63.1-32.2175.900000113.3A43 P71 L72 G79 H80 C83 V84 L87A43-A75 HydrophobicContact CB-CB 4.09Å; P71-A75 PolarHBondContact O-N 3.41Å; P71-A75 VanDerWaalsContact O-N 3.14Å; L72-A75 PolarHBondContact O-N 3.33Å; A75-G79 PolarHBondContact O-N 3.1Å; A75-G79 VanDerWaalsContact O-N 3.11Å; A75-H80 HydrophobicContact CB-CB 4.36Å; A75-H80 PolarHBondContact O-N 2.81Å; A75-C83 HydrophobicContact CB-CB 3.8Å; A75-V84 HydrophobicContact CB-CG2 3.83Å; A75-L87 HydrophobicContact CB-CD1 4.25Å
76I98.2Very high97.7Very high0 Ų035.1 Ų35.10%020%0.2CC..Hα-helixtrans-69.4-47.8177.1-70.6165.7000111L72 L73 A74 E78 G79 V84 Y103 C106 A107 I112 L116L72-I76 HydrophobicContact CD1-CD1 4.03Å; L72-I76 HydrophobicContact CD1-CG1 4.3Å; L72-I76 HydrophobicContact CG-CD1 3.85Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.23Å; L72-I76 PolarHBondContact O-N 2.96Å; L73-I76 PolarHBondContact O-N 3.13Å; A74-I76 VanDerWaalsContact C-N 3.28Å; A74-I76 PolarHBondContact O-N 3.09Å; I76-E78 VanDerWaalsContact C-N 3.3Å; I76-E78 PolarHBondContact O-N 3Å; I76-G79 PolarHBondContact O-N 3.16Å; I76-V84 HydrophobicContact CG1-CG1 4.45Å; I76-V84 HydrophobicContact CG1-CG2 3.74Å; I76-Y103 HydrophobicContact CD1-CD2 3.35Å; I76-Y103 HydrophobicContact CD1-CE2 4.07Å; I76-Y103 HydrophobicContact CD1-CG 3.91Å; I76-C106 HydrophobicContact CG2-CB 4.15Å; I76-A107 HydrophobicContact CG2-CB 3.88Å; I76-I112 HydrophobicContact CG1-CG2 4.16Å; I76-I112 HydrophobicContact CG2-CG2 4.25Å; I76-L116 HydrophobicContact CD1-CD1 4.01Å; I76-L116 HydrophobicContact CD1-CD2 3.81Å; I76-L116 HydrophobicContact CG1-CD1 4.39Å; I76-L116 HydrophobicContact CG1-CD2 4.48Å; I76-L116 HydrophobicContact CG2-CD1 4.49Å
77Y96.8Very high97.8Very high83 Ų8332.2 Ų32.233%0.32517%0.171SC..Hα-helixtrans-58.7-44.3178.8-76.4-45.3000111.7L73 A74 G79 A97 C106L73-Y77 HydrophobicContact CD1-CD2 4.22Å; L73-Y77 HydrophobicContact CD1-CE1 4.26Å; L73-Y77 HydrophobicContact CD1-CE2 3.8Å; L73-Y77 HydrophobicContact CD2-CE2 3.73Å; L73-Y77 HydrophobicContact CG-CD2 3.87Å; L73-Y77 HydrophobicContact CG-CE2 3.42Å; L73-Y77 VanDerWaalsContact CG-CE2 3.42Å; L73-Y77 WeakPolarHBondContact O-CD2 3.46Å; L73-Y77 PolarHBondContact O-N 2.92Å; A74-Y77 PolarHBondContact O-N 3.49Å; Y77-G79 VanDerWaalsContact C-N 3.29Å; Y77-G79 PolarHBondContact O-N 3.44Å; Y77-A97 WeakPolarHBondContact OH-CB 3.38Å; Y77-C106 HydrophobicContact CD1-CB 4.01Å; Y77-C106 HydrophobicContact CE1-CB 3.55Å
78E97.2Very high97.8Very high112 Ų11226.4 Ų26.452%0.52315%0.145SC..THydrogen-bonded Turntrans-83.4-3.2-177.7-61.2-60.2142.900113.4D44 A74 I76 H80D44-E78 WeakPolarHBondContact O-CG 3.29Å; A74-E78 PolarHBondContact O-N 3.44Å; A74-E78 VanDerWaalsContact O-N 3.16Å; I76-E78 VanDerWaalsContact C-N 3.3Å; I76-E78 PolarHBondContact O-N 3Å; E78-H80 VanDerWaalsContact CB-CD2 3.46Å; E78-H80 WeakPolarHBondContact CB-CD2 3.14Å
79G97.3Very high97.8Very high23 Ų2330.6 Ų30.624%0.23716%0.161CC..THydrogen-bonded Turntrans7821.2172.900000115A75 I76 Y77 I81 I112A75-G79 PolarHBondContact O-N 3.1Å; A75-G79 VanDerWaalsContact O-N 3.11Å; I76-G79 PolarHBondContact O-N 3.16Å; Y77-G79 VanDerWaalsContact C-N 3.29Å; Y77-G79 PolarHBondContact O-N 3.44Å; G79-I81 PolarHBondContact O-N 3.49Å; G79-I112 VanDerWaalsContact C-CD1 3.47Å; G79-I112 VanDerWaalsContact CA-CD1 3.49Å
80H98Very high97.8Very high55 Ų5533.1 Ų33.126%0.25517%0.174SC..  trans-83.978.6-175.7-63.9-49.2000112.8A43 D44 G46 A75 E78 D82 C83 V84A43-H80 PolarHBondContact O-CD2 3.39Å; D44-H80 PolarHBondContact O-NE2 3.39Å; D44-H80 VanDerWaalsContact O-NE2 3.1Å; G46-H80 WeakPolarHBondContact CA-CD2 3.21Å; G46-H80 PolarHBondContact N-CD2 2.81Å; G46-H80 PolarHBondContact N-NE2 2.9Å; A75-H80 HydrophobicContact CB-CB 4.36Å; A75-H80 PolarHBondContact O-N 2.81Å; E78-H80 VanDerWaalsContact CB-CD2 3.46Å; E78-H80 WeakPolarHBondContact CB-CD2 3.14Å; H80-D82 VanDerWaalsContact C-N 3.26Å; H80-D82 PolarHBondContact O-N 3.02Å; H80-D82 VanDerWaalsContact O-N 3.14Å; H80-C83 HydrophobicContact CB-CB 4.01Å; H80-C83 PolarHBondContact O-N 2.93Å; H80-V84 WeakPolarHBondContact O-CG2 3.23Å; H80-V84 PolarHBondContact O-N 3.28Å
81I97.5Very high97.7Very high63 Ų6334.8 Ų34.832%0.32319%0.193SC..Hα-helixtrans-46.6-45.6-177.8-66.7164.2000113.1G79 V84 S85 D111 I112 I115G79-I81 PolarHBondContact O-N 3.49Å; I81-V84 PolarHBondContact O-N 2.98Å; I81-S85 WeakPolarHBondContact O-CB 3.19Å; I81-S85 PolarHBondContact O-N 3.11Å; I81-S85 PolarHBondContact O-OG 3.39Å; I81-D111 HydrophobicContact CD1-CB 3.86Å; I81-D111 HydrophobicContact CG1-CB 4.44Å; I81-I112 HydrophobicContact CB-CG1 4.46Å; I81-I112 HydrophobicContact CG1-CD1 4.04Å; I81-I112 HydrophobicContact CG1-CG1 3.62Å; I81-I115 HydrophobicContact CG2-CD1 3.71Å
82D97.9Very high97.6Very high95 Ų9535.2 Ų35.251%0.50820%0.196SC..Hα-helixtrans-64-41.1-179.2-93.7-52.8000112.7K48 H80 L86K48-D82 HydrophobicContact CB-CB 4.45Å; K48-D82 HydrophobicContact CD-CB 3.97Å; K48-D82 HydrophobicContact CG-CB 4.38Å; K48-D82 IonicContact NZ-OD1 2.77Å; K48-D82 PolarHBondContact NZ-OD1 3.4Å; H80-D82 VanDerWaalsContact C-N 3.26Å; H80-D82 PolarHBondContact O-N 3.02Å; H80-D82 VanDerWaalsContact O-N 3.14Å; D82-L86 WeakPolarHBondContact O-CB 3.14Å; D82-L86 PolarHBondContact O-N 3.26Å
83C98.5Very high97.5Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-70.8-42.5176.4-74.90000111.2A75 H80 S85 L86 L87A75-C83 HydrophobicContact CB-CB 3.8Å; H80-C83 HydrophobicContact CB-CB 4.01Å; H80-C83 PolarHBondContact O-N 2.93Å; C83-S85 VanDerWaalsContact C-N 3.32Å; C83-S85 PolarHBondContact O-N 3.43Å; C83-L86 PolarHBondContact O-N 3.31Å; C83-L87 WeakPolarHBondContact O-CB 3.31Å; C83-L87 WeakPolarHBondContact O-CD1 3.31Å; C83-L87 WeakPolarHBondContact O-CG 3.46Å; C83-L87 PolarHBondContact O-N 3.02Å
84V98.2Very high97.2Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-55.2-50.9174.91710000110.3L72 A75 I76 H80 I81 L86 L87 L88 I112 I115 L116L72-V84 HydrophobicContact CD1-CB 4.38Å; L72-V84 HydrophobicContact CD1-CG1 4.06Å; L72-V84 HydrophobicContact CD1-CG2 4.43Å; A75-V84 HydrophobicContact CB-CG2 3.83Å; I76-V84 HydrophobicContact CG1-CG1 4.45Å; I76-V84 HydrophobicContact CG1-CG2 3.74Å; H80-V84 WeakPolarHBondContact O-CG2 3.23Å; H80-V84 PolarHBondContact O-N 3.28Å; I81-V84 PolarHBondContact O-N 2.98Å; V84-L86 PolarHBondContact O-N 3.18Å; V84-L87 PolarHBondContact O-N 3.34Å; V84-L88 HydrophobicContact CG1-CD1 3.78Å; V84-L88 WeakPolarHBondContact O-CB 3.08Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.94Å; V84-I112 HydrophobicContact CG1-CG2 4.41Å; V84-I112 HydrophobicContact CG2-CD1 4.15Å; V84-I112 HydrophobicContact CG2-CG1 4.44Å; V84-I112 HydrophobicContact CG2-CG2 4.46Å; V84-I115 HydrophobicContact CG1-CG2 4.21Å; V84-L116 HydrophobicContact CG1-CD2 4.35Å
85S97.1Very high96.7Very high32 Ų3246.2 Ų46.222%0.22426%0.256CS..Hα-helixtrans-62.6-45.2-179.6-57.70000111.8I81 C83 N89I81-S85 WeakPolarHBondContact O-CB 3.19Å; I81-S85 PolarHBondContact O-N 3.11Å; I81-S85 PolarHBondContact O-OG 3.39Å; C83-S85 VanDerWaalsContact C-N 3.32Å; C83-S85 PolarHBondContact O-N 3.43Å; S85-N89 VanDerWaalsContact O-CB 3.31Å; S85-N89 WeakPolarHBondContact O-CB 3.43Å; S85-N89 PolarHBondContact O-N 3.29Å; S85-N89 PolarHBondContact O-ND2 3.23Å; S85-N89 VanDerWaalsContact O-ND2 3.16Å
86L98.3Very high96.5Very high23 Ų2351.5 Ų51.512%0.1228%0.284CS..Hα-helixtrans-60.1-47.5177.9178.371.3000111.8K48 C51 D52 I55 D82 C83 V84 N89 N90K48-L86 HydrophobicContact CG-CD2 3.95Å; K48-L86 VanDerWaalsContact O-CD2 3.31Å; K48-L86 WeakPolarHBondContact O-CD2 3.43Å; C51-L86 HydrophobicContact CB-CD2 3.63Å; D52-L86 HydrophobicContact CB-CD1 4.38Å; D52-L86 HydrophobicContact CB-CD2 3.99Å; I55-L86 HydrophobicContact CD1-CD2 4.41Å; I55-L86 HydrophobicContact CD1-CG 4.38Å; D82-L86 WeakPolarHBondContact O-CB 3.14Å; D82-L86 PolarHBondContact O-N 3.26Å; C83-L86 PolarHBondContact O-N 3.31Å; V84-L86 PolarHBondContact O-N 3.18Å; L86-N89 PolarHBondContact O-N 2.89Å; L86-N90 PolarHBondContact O-N 3.43Å; L86-N90 VanDerWaalsContact O-N 3.16Å; L86-N90 PolarHBondContact O-ND2 3.18Å
87L98.5Very high96.4Very high0 Ų051.8 Ų51.80%029%0.286CS..Hα-helixtrans-64.8-46.1-177.3-71.4165.3000110.9I39 A43 I55 I61 P71 L72 A75 C83 V84 N89 N90 G91 A92I39-L87 HydrophobicContact CD1-CD2 4Å; I39-L87 HydrophobicContact CG1-CD2 4.46Å; A43-L87 HydrophobicContact CB-CD1 4.06Å; I55-L87 HydrophobicContact CD1-CD2 4.11Å; I61-L87 HydrophobicContact CG2-CD2 3.89Å; P71-L87 HydrophobicContact CB-CD1 4.42Å; P71-L87 HydrophobicContact CB-CD2 4.43Å; L72-L87 HydrophobicContact CB-CD1 4.41Å; L72-L87 HydrophobicContact CD1-CB 4.18Å; A75-L87 HydrophobicContact CB-CD1 4.25Å; C83-L87 WeakPolarHBondContact O-CB 3.31Å; C83-L87 WeakPolarHBondContact O-CD1 3.31Å; C83-L87 WeakPolarHBondContact O-CG 3.46Å; C83-L87 PolarHBondContact O-N 3.02Å; V84-L87 PolarHBondContact O-N 3.34Å; L87-N89 PolarHBondContact O-N 3.11Å; L87-N90 CarbonylContact O-C 3.47Å; L87-N90 PolarHBondContact O-N 3.02Å; L87-N90 VanDerWaalsContact O-N 3.09Å; L87-G91 PolarHBondContact O-N 3.44Å; L87-A92 VanDerWaalsContact C-CB 3.41Å; L87-A92 HydrophobicContact CB-CB 3.84Å; L87-A92 WeakPolarHBondContact O-CB 3.31Å; L87-A92 PolarHBondContact O-N 3.16Å
88L97.3Very high96.3Very high7 Ų751.3 Ų51.34%0.03729%0.293CS..Hα-helixtrans-60.5-45.6176.6-72.3169.9000112.1L72 V84 N90 G91 L94 I115 L116 Y119L72-L88 HydrophobicContact CD1-CD2 4.38Å; L72-L88 HydrophobicContact CD1-CG 4.08Å; L72-L88 HydrophobicContact CD2-CD2 3.64Å; L72-L88 HydrophobicContact CD2-CG 4.23Å; V84-L88 HydrophobicContact CG1-CD1 3.78Å; V84-L88 WeakPolarHBondContact O-CB 3.08Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.94Å; L88-N90 PolarHBondContact O-N 3.35Å; L88-N90 VanDerWaalsContact O-N 3.13Å; L88-G91 PolarHBondContact O-N 3.38Å; L88-L94 HydrophobicContact CD2-CD2 3.86Å; L88-L94 HydrophobicContact CD2-CG 4.12Å; L88-I115 HydrophobicContact CD1-CG2 3.74Å; L88-L116 HydrophobicContact CD1-CD2 4.16Å; L88-Y119 HydrophobicContact CB-CD1 4.41Å; L88-Y119 HydrophobicContact CB-CD2 4.44Å; L88-Y119 HydrophobicContact CB-CE1 3.82Å; L88-Y119 HydrophobicContact CB-CE2 3.86Å; L88-Y119 HydrophobicContact CD1-CD2 3.83Å; L88-Y119 HydrophobicContact CD1-CE2 3.87Å; L88-Y119 HydrophobicContact CD1-CG 4.28Å; L88-Y119 HydrophobicContact CD2-CD1 4.24Å; L88-Y119 HydrophobicContact CD2-CE1 4.44Å; L88-Y119 HydrophobicContact CD2-CG 4.35Å; L88-Y119 HydrophobicContact CG-CE2 4.41Å
89N96.6Very high96.2Very high118 Ų11851.3 Ų51.363%0.63130%0.297SS*.Hα-helixtrans-62.1-20.9176.7-72-22.1000113S85 L86 L87 Y119S85-N89 VanDerWaalsContact O-CB 3.31Å; S85-N89 WeakPolarHBondContact O-CB 3.43Å; S85-N89 PolarHBondContact O-N 3.29Å; S85-N89 PolarHBondContact O-ND2 3.23Å; S85-N89 VanDerWaalsContact O-ND2 3.16Å; L86-N89 PolarHBondContact O-N 2.89Å; L87-N89 PolarHBondContact O-N 3.11Å; N89-Y119 PolarHBondContact N-OH 3.21Å; N89-Y119 PolarHBondContact OD1-OH 3.4Å
90N97.6Very high96.1Very high71 Ų7152.4 Ų52.438%0.3831%0.308SS..THydrogen-bonded Turntrans-101.115.3176.5-75.3-85.9000113.2I55 I61 L86 L87 L88I55-N90 HydrophobicContact CD1-CB 4.21Å; I55-N90 HydrophobicContact CG2-CB 4.19Å; I61-N90 HydrophobicContact CD1-CB 3.65Å; I61-N90 WeakPolarHBondContact CD1-O 3.21Å; L86-N90 PolarHBondContact O-N 3.43Å; L86-N90 VanDerWaalsContact O-N 3.16Å; L86-N90 PolarHBondContact O-ND2 3.18Å; L87-N90 CarbonylContact O-C 3.47Å; L87-N90 PolarHBondContact O-N 3.02Å; L87-N90 VanDerWaalsContact O-N 3.09Å; L88-N90 PolarHBondContact O-N 3.35Å; L88-N90 VanDerWaalsContact O-N 3.13Å
91G95.5Very high96Very high46 Ų4651.6 Ų51.647%0.47431%0.308SS..THydrogen-bonded Turntrans85.123173.500000114.9N62 L87 L88 K93N62-G91 PolarHBondContact ND2-O 3.44Å; L87-G91 PolarHBondContact O-N 3.44Å; L88-G91 PolarHBondContact O-N 3.38Å; G91-K93 PolarHBondContact O-N 3.21Å
92A97.1Very high95.9Very high9 Ų951 Ų517%0.07431%0.308CS..PPolyproline II helixtrans-60.3128.5163.300000109.7I61 N62 L72 L87I61-A92 HydrophobicContact CG2-CB 3.49Å; I61-A92 VanDerWaalsContact CG2-CB 3.49Å; N62-A92 WeakPolarHBondContact OD1-CA 3.35Å; L72-A92 HydrophobicContact CB-CB 4.06Å; L72-A92 HydrophobicContact CD2-CB 3.83Å; L72-A92 HydrophobicContact CG-CB 4.42Å; L87-A92 VanDerWaalsContact C-CB 3.41Å; L87-A92 HydrophobicContact CB-CB 3.84Å; L87-A92 WeakPolarHBondContact O-CB 3.31Å; L87-A92 PolarHBondContact O-N 3.16Å
93K94.9Very high95.7Very high151 Ų15146.8 Ų46.866%0.65729%0.285SS*.PPolyproline II helixtrans-85134.7-178.1-64.4178.9-177.1178.60109.7N62 G91N62-K93 PolarHBondContact OD1-N 3.42Å; G91-K93 PolarHBondContact O-N 3.21Å
94L92.5Very high95.6Very high47 Ų4747.7 Ų47.725%0.24629%0.29CS..PPolyproline II helixtrans-69.9144.2163.4-64.1176.3000109.2L72 L88 Y103 L116 F120L72-L94 HydrophobicContact CD2-CD2 3.96Å; L88-L94 HydrophobicContact CD2-CD2 3.86Å; L88-L94 HydrophobicContact CD2-CG 4.12Å; L94-Y103 HydrophobicContact CD2-CD2 3.81Å; L94-Y103 HydrophobicContact CD2-CG 4.48Å; L94-L116 HydrophobicContact CD2-CD2 3.51Å; L94-F120 HydrophobicContact CB-CE1 4.45Å; L94-F120 HydrophobicContact CB-CZ 4.27Å; L94-F120 HydrophobicContact CD1-CD1 4.4Å; L94-F120 HydrophobicContact CD1-CD2 4.15Å; L94-F120 HydrophobicContact CD1-CE1 4.07Å; L94-F120 HydrophobicContact CD1-CE2 3.78Å; L94-F120 HydrophobicContact CD1-CG 4.45Å; L94-F120 HydrophobicContact CD1-CZ 3.75Å
95G88.1Confident95.4Very high35 Ų3552.9 Ų52.936%0.36132%0.318SS..  trans-153.8-159.9-179.700000111.2Y103G95-Y103 WeakPolarHBondContact O-CD1 3.33Å; G95-Y103 WeakPolarHBondContact O-CE1 3.49Å
96L93.3Very high95.3Very high112 Ų11252 Ų5259%0.58631%0.312SS*.BIsolated β-bridgetrans-101.3145169-59.6179.3000108.8S101 T102L96-S101 CarbonylContact C-O 3.6Å; L96-S101 WeakPolarHBondContact CA-O 3.45Å; L96-T102 HydrophobicContact CD2-CG2 4.19Å
97A95.6Very high95.2Very high5 Ų551 Ų514%0.04131%0.307CS..  trans-65.6164.2167.600000110.5L73 Y77 D99 G100 S101 C106L73-A97 HydrophobicContact CD1-CB 4.3Å; L73-A97 HydrophobicContact CD2-CB 3.79Å; Y77-A97 WeakPolarHBondContact OH-CB 3.38Å; A97-D99 VanDerWaalsContact CB-OD1 3.23Å; A97-D99 WeakPolarHBondContact CB-OD1 3.28Å; A97-D99 PolarHBondContact O-N 3.17Å; A97-D99 VanDerWaalsContact O-N 3.11Å; A97-G100 WeakPolarHBondContact O-CA 3.49Å; A97-G100 PolarHBondContact O-N 3.13Å; A97-S101 PolarHBondContact N-O 3.1Å; A97-C106 VanDerWaalsContact CB-SG 3.54Å
98P94.8Very high94.9Very high73 Ų7355.7 Ų55.747%0.47434%0.336SS..THydrogen-bonded Turntrans-56.6-27.6-179.3-2936.6000115F67 V69 G100F67-P98 VanDerWaalsContact O-CB 3.27Å; F67-P98 WeakPolarHBondContact O-CB 3.38Å; F67-P98 WeakPolarHBondContact O-CG 3.37Å; V69-P98 HydrophobicContact CG2-CG 4.15Å; P98-G100 VanDerWaalsContact C-N 3.26Å
99D95.2Very high94.7Very high113 Ų11356.8 Ų56.860%0.60434%0.344SS*.THydrogen-bonded Turntrans-81.9-1.2175.667.4-13.7000113.6A97 S101A97-D99 VanDerWaalsContact CB-OD1 3.23Å; A97-D99 WeakPolarHBondContact CB-OD1 3.28Å; A97-D99 PolarHBondContact O-N 3.17Å; A97-D99 VanDerWaalsContact O-N 3.11Å; D99-S101 WeakPolarHBondContact OD1-CB 3.23Å; D99-S101 PolarHBondContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.43Å; D99-S101 VanDerWaalsContact OD1-OG 3.1Å; D99-S101 PolarHBondContact OD2-OG 3.3Å
100G95.7Very high94.6Very high46 Ų4655.2 Ų55.247%0.47433%0.333SS..SBendtrans87.1-1.1-176.700000114.5A97 P98A97-G100 WeakPolarHBondContact O-CA 3.49Å; A97-G100 PolarHBondContact O-N 3.13Å; P98-G100 VanDerWaalsContact C-N 3.26Å
101S95.5Very high94.5Very high37 Ų3756.6 Ų56.626%0.25934%0.34SS..  trans-68.2148.7178.4-61.20000111.3L96 A97 D99L96-S101 CarbonylContact C-O 3.6Å; L96-S101 WeakPolarHBondContact CA-O 3.45Å; A97-S101 PolarHBondContact N-O 3.1Å; D99-S101 WeakPolarHBondContact OD1-CB 3.23Å; D99-S101 PolarHBondContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.43Å; D99-S101 VanDerWaalsContact OD1-OG 3.1Å; D99-S101 PolarHBondContact OD2-OG 3.3Å
102T94.9Very high94.6Very high52 Ų5254.4 Ų54.432%0.31932%0.317SS..BIsolated β-bridgetrans-72.6155172.376.80000110.1L96 V104 D105 C106L96-T102 HydrophobicContact CD2-CG2 4.19Å; T102-V104 PolarHBondContact O-N 3.27Å; T102-V104 PolarHBondContact OG1-N 3.48Å; T102-D105 WeakPolarHBondContact CB-OD2 3.46Å; T102-D105 WeakPolarHBondContact CG2-OD2 3.49Å; T102-D105 PolarHBondContact N-OD2 3.36Å; T102-D105 WeakPolarHBondContact O-CB 3.46Å; T102-D105 PolarHBondContact O-N 3.49Å; T102-D105 PolarHBondContact OG1-N 2.93Å; T102-D105 PolarHBondContact OG1-OD2 3.02Å; T102-C106 PolarHBondContact O-N 2.7Å; T102-C106 VanDerWaalsContact O-N 3.11Å; T102-C106 PolarHBondContact O-SG 3.16Å; T102-C106 VanDerWaalsContact O-SG 3.39Å
103Y94.8Very high94.6Very high6 Ų657.4 Ų57.42%0.02433%0.327CS..Hα-helixtrans-60.5-28.3176.8-81.825.4000112.6T70 L72 L73 I76 L94 G95 D105 C106 A107 L116T70-Y103 PolarHBondContact OG1-OH 2.96Å; L72-Y103 HydrophobicContact CB-CE2 4.39Å; L72-Y103 HydrophobicContact CD2-CD2 4.09Å; L72-Y103 HydrophobicContact CD2-CE2 3.84Å; L72-Y103 HydrophobicContact CG-CD2 4.25Å; L72-Y103 HydrophobicContact CG-CE2 3.94Å; L73-Y103 HydrophobicContact CB-CE1 4.27Å; L73-Y103 HydrophobicContact CB-CE2 4.19Å; L73-Y103 HydrophobicContact CD1-CD1 3.93Å; L73-Y103 HydrophobicContact CD1-CE1 3.83Å; L73-Y103 HydrophobicContact CD1-CG 4.35Å; L73-Y103 HydrophobicContact CD2-CE1 4.13Å; L73-Y103 HydrophobicContact CG-CE1 4.29Å; I76-Y103 HydrophobicContact CD1-CD2 3.35Å; I76-Y103 HydrophobicContact CD1-CE2 4.07Å; I76-Y103 HydrophobicContact CD1-CG 3.91Å; L94-Y103 HydrophobicContact CD2-CD2 3.81Å; L94-Y103 HydrophobicContact CD2-CG 4.48Å; G95-Y103 WeakPolarHBondContact O-CD1 3.33Å; G95-Y103 WeakPolarHBondContact O-CE1 3.49Å; Y103-D105 VanDerWaalsContact C-N 3.34Å; Y103-C106 PolarHBondContact O-N 2.9Å; Y103-A107 PolarHBondContact O-N 3.39Å; Y103-L116 VanDerWaalsContact O-CD1 3.32Å; Y103-L116 WeakPolarHBondContact O-CD1 3.46Å
104V95.6Very high94.6Very high18 Ų1853.3 Ų53.311%0.10931%0.312CS..Hα-helixtrans-66.6-38.5174.5-179.80000110.7T102 C106 A107 R113 L116 R117 F120T102-V104 PolarHBondContact O-N 3.27Å; T102-V104 PolarHBondContact OG1-N 3.48Å; V104-C106 VanDerWaalsContact C-N 3.34Å; V104-A107 PolarHBondContact O-N 2.89Å; V104-R113 HydrophobicContact CG1-CB 4.15Å; V104-R113 HydrophobicContact CG1-CG 4.05Å; V104-L116 HydrophobicContact CG2-CB 3.87Å; V104-L116 HydrophobicContact CG2-CD1 4.42Å; V104-R117 HydrophobicContact CG1-CG 4.45Å; V104-R117 HydrophobicContact CG2-CG 4.36Å; V104-F120 HydrophobicContact CG2-CE2 3.82Å
105D94.9Very high94.8Very high110 Ų11052.8 Ų52.859%0.58831%0.309SS*.Hα-helixtrans-71.2-31.6178.2-56.8-43.4000111.8T102 Y103 A107T102-D105 WeakPolarHBondContact CB-OD2 3.46Å; T102-D105 WeakPolarHBondContact CG2-OD2 3.49Å; T102-D105 PolarHBondContact N-OD2 3.36Å; T102-D105 WeakPolarHBondContact O-CB 3.46Å; T102-D105 PolarHBondContact O-N 3.49Å; T102-D105 PolarHBondContact OG1-N 2.93Å; T102-D105 PolarHBondContact OG1-OD2 3.02Å; Y103-D105 VanDerWaalsContact C-N 3.34Å; D105-A107 VanDerWaalsContact C-N 3.32Å
106C95.5Very high95.1Very high14 Ų1451.1 Ų51.110%0.09529%0.292CS..Hα-helixtrans-72.9-22.4175.7-62.20000113.7L73 I76 Y77 A97 T102 Y103 V104 T108L73-C106 HydrophobicContact CD1-CB 4.07Å; I76-C106 HydrophobicContact CG2-CB 4.15Å; Y77-C106 HydrophobicContact CD1-CB 4.01Å; Y77-C106 HydrophobicContact CE1-CB 3.55Å; A97-C106 VanDerWaalsContact CB-SG 3.54Å; T102-C106 PolarHBondContact O-N 2.7Å; T102-C106 VanDerWaalsContact O-N 3.11Å; T102-C106 PolarHBondContact O-SG 3.16Å; T102-C106 VanDerWaalsContact O-SG 3.39Å; Y103-C106 PolarHBondContact O-N 2.9Å; V104-C106 VanDerWaalsContact C-N 3.34Å; C106-T108 PolarHBondContact O-N 2.98Å
107A95.9Very high95.1Very high2 Ų250.9 Ų50.92%0.01728%0.283CS..  trans-71.8124.9-176.100000111.8I76 Y103 V104 D105 I112 R113 L116I76-A107 HydrophobicContact CG2-CB 3.88Å; Y103-A107 PolarHBondContact O-N 3.39Å; V104-A107 PolarHBondContact O-N 2.89Å; D105-A107 VanDerWaalsContact C-N 3.32Å; A107-I112 HydrophobicContact CB-CB 4.09Å; A107-I112 HydrophobicContact CB-CG2 3.59Å; A107-R113 HydrophobicContact CB-CG 3.65Å; A107-R113 PolarHBondContact O-NE 2.8Å; A107-R113 PolarHBondContact O-NH2 2.62Å; A107-L116 HydrophobicContact CB-CD1 4.15Å
108T90.9Very high94.9Very high98 Ų9855.8 Ų55.860%0.60131%0.309SS*.SBendtrans-79.7-31.9178.457.10000112.5C106C106-T108 PolarHBondContact O-N 2.98Å
109S93.6Very high94.3Very high29 Ų2956 Ų5620%0.20330%0.301CS..SBendtrans-98.1141.5179.473.90000112.6D111 I112 R113S109-D111 PolarHBondContact O-N 3.49Å; S109-I112 PolarHBondContact O-N 3.38Å; S109-I112 WeakPolarHBondContact OG-CB 3.46Å; S109-I112 WeakPolarHBondContact OG-CD1 3.22Å; S109-I112 WeakPolarHBondContact OG-CG1 3.13Å; S109-I112 PolarHBondContact OG-N 3.24Å; S109-R113 PolarHBondContact O-N 3.05Å; S109-R113 VanDerWaalsContact O-N 3.14Å
110E95.2Very high93.1Very high85 Ų8556.3 Ų56.340%0.39730%0.297SS..Hα-helixtrans-66-31.1176.7-16659.2-150.600111.7I112 R113 N114 R117E110-I112 PolarHBondContact O-N 3.42Å; E110-R113 WeakPolarHBondContact O-CB 3.43Å; E110-R113 PolarHBondContact O-N 3.14Å; E110-R113 WeakPolarHBondContact OE2-CD 3.32Å; E110-R113 IonicContact OE2-CZ 3.74Å; E110-R113 IonicContact OE2-NE 3.99Å; E110-R113 IonicContact OE2-NH1 2.76Å; E110-R113 PolarHBondContact OE2-NH1 3.27Å; E110-N114 WeakPolarHBondContact O-CB 3.18Å; E110-N114 VanDerWaalsContact O-CG 3.23Å; E110-N114 PolarHBondContact O-N 2.89Å; E110-N114 PolarHBondContact O-ND2 3.21Å; E110-R117 IonicContact OE1-CZ 2.82Å; E110-R117 IonicContact OE1-NH1 3.92Å; E110-R117 PolarHBondContact OE1-NH1 2.9Å; E110-R117 IonicContact OE1-NH2 3.47Å
111D96.2Very high91.3Very high100 Ų10059.7 Ų59.754%0.53531%0.308SS..Hα-helixtrans-62-44.5175.7-64.8-34.5000111.7I81 S109 N114 I115I81-D111 HydrophobicContact CD1-CB 3.86Å; I81-D111 HydrophobicContact CG1-CB 4.44Å; S109-D111 PolarHBondContact O-N 3.49Å; D111-N114 PolarHBondContact O-N 3.06Å; D111-I115 WeakPolarHBondContact O-CG1 3.35Å; D111-I115 PolarHBondContact O-N 3.36Å
112I97.2Very high89.1Confident0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-64.8-43.5175-70.5173.2000110.1I76 G79 I81 V84 A107 S109 E110 N114 I115 L116I76-I112 HydrophobicContact CG1-CG2 4.16Å; I76-I112 HydrophobicContact CG2-CG2 4.25Å; G79-I112 VanDerWaalsContact C-CD1 3.47Å; G79-I112 VanDerWaalsContact CA-CD1 3.49Å; I81-I112 HydrophobicContact CB-CG1 4.46Å; I81-I112 HydrophobicContact CG1-CD1 4.04Å; I81-I112 HydrophobicContact CG1-CG1 3.62Å; V84-I112 HydrophobicContact CG1-CG2 4.41Å; V84-I112 HydrophobicContact CG2-CD1 4.15Å; V84-I112 HydrophobicContact CG2-CG1 4.44Å; V84-I112 HydrophobicContact CG2-CG2 4.46Å; A107-I112 HydrophobicContact CB-CB 4.09Å; A107-I112 HydrophobicContact CB-CG2 3.59Å; S109-I112 PolarHBondContact O-N 3.38Å; S109-I112 WeakPolarHBondContact OG-CB 3.46Å; S109-I112 WeakPolarHBondContact OG-CD1 3.22Å; S109-I112 WeakPolarHBondContact OG-CG1 3.13Å; S109-I112 PolarHBondContact OG-N 3.24Å; E110-I112 PolarHBondContact O-N 3.42Å; I112-N114 PolarHBondContact O-N 3.41Å; I112-I115 PolarHBondContact O-N 3.09Å; I112-I115 VanDerWaalsContact O-N 3.16Å; I112-L116 HydrophobicContact CG2-CD1 3.69Å; I112-L116 HydrophobicContact CG2-CG 4.04Å; I112-L116 VanDerWaalsContact O-CG 3.22Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 3.42Å
113R96.2Very high88.8Confident73 Ų7366.8 Ų66.828%0.27535%0.347SS..Hα-helixtrans-55.3-43.5175.7-68.9-176.7-164.3137.23.4111.7V104 A107 S109 E110 L116 R117V104-R113 HydrophobicContact CG1-CB 4.15Å; V104-R113 HydrophobicContact CG1-CG 4.05Å; A107-R113 HydrophobicContact CB-CG 3.65Å; A107-R113 PolarHBondContact O-NE 2.8Å; A107-R113 PolarHBondContact O-NH2 2.62Å; S109-R113 PolarHBondContact O-N 3.05Å; S109-R113 VanDerWaalsContact O-N 3.14Å; E110-R113 WeakPolarHBondContact O-CB 3.43Å; E110-R113 PolarHBondContact O-N 3.14Å; E110-R113 WeakPolarHBondContact OE2-CD 3.32Å; E110-R113 IonicContact OE2-CZ 3.74Å; E110-R113 IonicContact OE2-NE 3.99Å; E110-R113 IonicContact OE2-NH1 2.76Å; E110-R113 PolarHBondContact OE2-NH1 3.27Å; R113-L116 PolarHBondContact O-N 3.16Å; R113-R117 WeakPolarHBondContact O-CB 3.22Å; R113-R117 WeakPolarHBondContact O-CG 3.4Å; R113-R117 PolarHBondContact O-N 3.28Å
114N95.6Very high88.5Confident65 Ų6570 Ų7035%0.34836%0.364SS..Hα-helixtrans-66.2-42.2178.7-69.5-25.1000112.1E110 D111 I112 L116 R117 N118E110-N114 WeakPolarHBondContact O-CB 3.18Å; E110-N114 VanDerWaalsContact O-CG 3.23Å; E110-N114 PolarHBondContact O-N 2.89Å; E110-N114 PolarHBondContact O-ND2 3.21Å; D111-N114 PolarHBondContact O-N 3.06Å; I112-N114 PolarHBondContact O-N 3.41Å; N114-L116 PolarHBondContact O-N 2.96Å; N114-R117 PolarHBondContact O-N 3.28Å; N114-R117 PolarHBondContact OD1-NH1 2.81Å; N114-R117 VanDerWaalsContact OD1-NH1 3.14Å; N114-N118 PolarHBondContact O-N 2.77Å; N114-N118 VanDerWaalsContact O-N 3.09Å; N114-N118 PolarHBondContact O-ND2 3.14Å
115I95.3Very high88.1Confident35 Ų3572.9 Ų72.918%0.17938%0.378CS..Hα-helixtrans-57.7-49.8173.4-69.9163.6000110.4I81 V84 L88 D111 I112 R117 N118 Y119I81-I115 HydrophobicContact CG2-CD1 3.71Å; V84-I115 HydrophobicContact CG1-CG2 4.21Å; L88-I115 HydrophobicContact CD1-CG2 3.74Å; D111-I115 WeakPolarHBondContact O-CG1 3.35Å; D111-I115 PolarHBondContact O-N 3.36Å; I112-I115 PolarHBondContact O-N 3.09Å; I112-I115 VanDerWaalsContact O-N 3.16Å; I115-R117 PolarHBondContact O-N 3.29Å; I115-N118 PolarHBondContact O-N 2.9Å; I115-Y119 HydrophobicContact CG2-CD2 4.48Å; I115-Y119 WeakPolarHBondContact O-CD2 3.44Å; I115-Y119 PolarHBondContact O-N 3.5Å
116L95.7Very high87.7Confident0 Ų070.7 Ų70.70%037%0.366CS..Hα-helixtrans-63.3-43.8-178.5-63.3171.6000111.7I76 V84 L88 L94 Y103 V104 A107 I112 R113 N114 N118 Y119 F120I76-L116 HydrophobicContact CD1-CD1 4.01Å; I76-L116 HydrophobicContact CD1-CD2 3.81Å; I76-L116 HydrophobicContact CG1-CD1 4.39Å; I76-L116 HydrophobicContact CG1-CD2 4.48Å; I76-L116 HydrophobicContact CG2-CD1 4.49Å; V84-L116 HydrophobicContact CG1-CD2 4.35Å; L88-L116 HydrophobicContact CD1-CD2 4.16Å; L94-L116 HydrophobicContact CD2-CD2 3.51Å; Y103-L116 VanDerWaalsContact O-CD1 3.32Å; Y103-L116 WeakPolarHBondContact O-CD1 3.46Å; V104-L116 HydrophobicContact CG2-CB 3.87Å; V104-L116 HydrophobicContact CG2-CD1 4.42Å; A107-L116 HydrophobicContact CB-CD1 4.15Å; I112-L116 HydrophobicContact CG2-CD1 3.69Å; I112-L116 HydrophobicContact CG2-CG 4.04Å; I112-L116 VanDerWaalsContact O-CG 3.22Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 3.42Å; R113-L116 PolarHBondContact O-N 3.16Å; N114-L116 PolarHBondContact O-N 2.96Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.24Å; L116-Y119 WeakPolarHBondContact O-CB 3.35Å; L116-Y119 PolarHBondContact O-N 3.25Å; L116-Y119 VanDerWaalsContact O-N 3.08Å; L116-F120 WeakPolarHBondContact O-CD2 3.46Å; L116-F120 PolarHBondContact O-N 3.14Å
117R93.8Very high87.2Confident108 Ų10874.3 Ų74.341%0.40838%0.383SS..Hα-helixtrans-57.1-41.4176-75.9171.6-173.8144.70.6112.2V104 E110 R113 N114 I115 Y119 F120V104-R117 HydrophobicContact CG1-CG 4.45Å; V104-R117 HydrophobicContact CG2-CG 4.36Å; E110-R117 IonicContact OE1-CZ 2.82Å; E110-R117 IonicContact OE1-NH1 3.92Å; E110-R117 PolarHBondContact OE1-NH1 2.9Å; E110-R117 IonicContact OE1-NH2 3.47Å; R113-R117 WeakPolarHBondContact O-CB 3.22Å; R113-R117 WeakPolarHBondContact O-CG 3.4Å; R113-R117 PolarHBondContact O-N 3.28Å; N114-R117 PolarHBondContact O-N 3.28Å; N114-R117 PolarHBondContact OD1-NH1 2.81Å; N114-R117 VanDerWaalsContact OD1-NH1 3.14Å; I115-R117 PolarHBondContact O-N 3.29Å; R117-Y119 PolarHBondContact O-N 3.33Å; R117-F120 PolarHBondContact O-N 3.26Å; R117-F120 VanDerWaalsContact O-N 3.13Å
118N89.8Confident86.6Confident108 Ų10879.1 Ų79.158%0.57841%0.407SS*.Hα-helixtrans-66.2-24.8179-67.5-18.6000113N114 I115 L116 T121N114-N118 PolarHBondContact O-N 2.77Å; N114-N118 VanDerWaalsContact O-N 3.09Å; N114-N118 PolarHBondContact O-ND2 3.14Å; I115-N118 PolarHBondContact O-N 2.9Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.24Å; N118-T121 PolarHBondContact O-OG1 2.76Å
119Y83.8Confident86.3Confident78 Ų7877.7 Ų77.731%0.30639%0.393SS..Hα-helixtrans-80.9-14.7175.4-92.8-94.5000113.9L88 N89 I115 L116 R117 T121 V122L88-Y119 HydrophobicContact CB-CD1 4.41Å; L88-Y119 HydrophobicContact CB-CD2 4.44Å; L88-Y119 HydrophobicContact CB-CE1 3.82Å; L88-Y119 HydrophobicContact CB-CE2 3.86Å; L88-Y119 HydrophobicContact CD1-CD2 3.83Å; L88-Y119 HydrophobicContact CD1-CE2 3.87Å; L88-Y119 HydrophobicContact CD1-CG 4.28Å; L88-Y119 HydrophobicContact CD2-CD1 4.24Å; L88-Y119 HydrophobicContact CD2-CE1 4.44Å; L88-Y119 HydrophobicContact CD2-CG 4.35Å; L88-Y119 HydrophobicContact CG-CE2 4.41Å; N89-Y119 PolarHBondContact N-OH 3.21Å; N89-Y119 PolarHBondContact OD1-OH 3.4Å; I115-Y119 HydrophobicContact CG2-CD2 4.48Å; I115-Y119 WeakPolarHBondContact O-CD2 3.44Å; I115-Y119 PolarHBondContact O-N 3.5Å; L116-Y119 WeakPolarHBondContact O-CB 3.35Å; L116-Y119 PolarHBondContact O-N 3.25Å; L116-Y119 VanDerWaalsContact O-N 3.08Å; R117-Y119 PolarHBondContact O-N 3.33Å; Y119-T121 VanDerWaalsContact C-N 3.35Å; Y119-V122 WeakPolarHBondContact O-CG2 3.49Å
120F68.8Low85.8Confident118 Ų11881.5 Ų81.552%0.51841%0.408SS..SBendtrans-83.1-13.4171.6-71.9-75.1000113.2L94 V104 L116 R117L94-F120 HydrophobicContact CB-CE1 4.45Å; L94-F120 HydrophobicContact CB-CZ 4.27Å; L94-F120 HydrophobicContact CD1-CD1 4.4Å; L94-F120 HydrophobicContact CD1-CD2 4.15Å; L94-F120 HydrophobicContact CD1-CE1 4.07Å; L94-F120 HydrophobicContact CD1-CE2 3.78Å; L94-F120 HydrophobicContact CD1-CG 4.45Å; L94-F120 HydrophobicContact CD1-CZ 3.75Å; V104-F120 HydrophobicContact CG2-CE2 3.82Å; L116-F120 WeakPolarHBondContact O-CD2 3.46Å; L116-F120 PolarHBondContact O-N 3.14Å; R117-F120 PolarHBondContact O-N 3.26Å; R117-F120 VanDerWaalsContact O-N 3.13Å
121T59.3Low85Confident117 Ų11781.2 Ų81.272%0.71841%0.409SS*.  trans-93.3-1.6-176.439.80000114.8N118 Y119N118-T121 PolarHBondContact O-OG1 2.76Å; Y119-T121 VanDerWaalsContact C-N 3.35Å
122V48.3Very low84Confident172 Ų17279.5 Ų79.5100%1.04240%0.397SS*.  trans-101.50173.4-83.60000111.1Y119Y119-V122 WeakPolarHBondContact O-CG2 3.49Å

Retrieved 122 of 122 residues in 172.6 ms (Link to these results)

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