A0A061IB78_CRIGR Loading...

Apoptosis-associated speck-like protein containing a CARD

AlphaFold DB , UniProt , Accession A0A061IB78, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100757158, Length 192 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
1M67.1Low85.3Confident155 Ų15551.2 Ų51.276%0.76426%0.255SS*.  0-31.30-74.5-125.117800109.7R3 D4 A5 E60 E90M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.07Å; M1-D4 PolarHBondContact O-N 2.73Å; M1-A5 PolarHBondContact O-N 2.93Å; M1-E60 PolarHBondContact N-OE1 3.12Å; M1-E60 PolarHBondContact N-OE2 3.45Å; M1-E90 WeakPolarHBondContact CB-OE2 3.03Å
2G73.4Confident85.6Confident0 Ų054.7 Ų54.70%028%0.275CS..Hα-helixtrans-61.5-32.4172.300000114.7A5 I6 E60 M64G2-A5 PolarHBondContact O-N 3.38Å; G2-I6 WeakPolarHBondContact O-CD1 3.46Å; G2-I6 VanDerWaalsContact O-CG1 3.25Å; G2-I6 WeakPolarHBondContact O-CG1 3.5Å; G2-I6 PolarHBondContact O-N 2.99Å; G2-E60 PolarHBondContact N-OE1 3.29Å; G2-E60 PolarHBondContact N-OE2 2.91Å; G2-M64 WeakPolarHBondContact CA-SD 3.47Å
3R85.1Confident85.8Confident67 Ų6751.7 Ų51.725%0.25326%0.261SS..Hα-helixtrans-55.7-52.6172.1-173.9-173175-80.3-0.6112.3M1 A5 I6 L7 T51 D52 V55 E60M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.07Å; R3-A5 VanDerWaalsContact C-N 3.3Å; R3-A5 PolarHBondContact O-N 3.27Å; R3-I6 PolarHBondContact O-N 2.99Å; R3-L7 PolarHBondContact O-N 3.2Å; R3-T51 HydrophobicContact CG-CG2 3.67Å; R3-T51 WeakPolarHBondContact O-CG2 3.2Å; R3-D52 IonicContact CZ-OD1 3.15Å; R3-D52 IonicContact CZ-OD2 2.75Å; R3-D52 IonicContact NE-OD1 3.95Å; R3-D52 PolarHBondContact NE-OD1 2.8Å; R3-D52 IonicContact NE-OD2 3.94Å; R3-D52 VanDerWaalsContact NH2-CG 3.32Å; R3-D52 IonicContact NH2-OD1 3.64Å; R3-D52 PolarHBondContact NH2-OD1 3.39Å; R3-D52 IonicContact NH2-OD2 2.63Å; R3-D52 PolarHBondContact NH2-OD2 2.93Å; R3-V55 HydrophobicContact CB-CG2 4.01Å; R3-V55 HydrophobicContact CG-CG2 4.15Å; R3-E60 PolarHBondContact N-OE2 3.03Å; R3-E60 VanDerWaalsContact N-OE2 3.11Å
4D85.6Confident85.9Confident97 Ų9753.6 Ų53.652%0.51928%0.277SS..Hα-helixtrans-65.4-35-177.6-60.4-60.1000111.8M1 L7 D8M1-D4 PolarHBondContact O-N 2.73Å; D4-L7 PolarHBondContact O-N 3.15Å; D4-D8 WeakPolarHBondContact O-CB 3.41Å; D4-D8 PolarHBondContact O-N 2.99Å
5A86.6Confident86Confident15 Ų1555.7 Ų55.712%0.12430%0.304CS..Hα-helixtrans-68.3-38.3175.500000113.4M1 G2 R3 A9 V86M1-A5 PolarHBondContact O-N 2.93Å; G2-A5 PolarHBondContact O-N 3.38Å; R3-A5 VanDerWaalsContact C-N 3.3Å; R3-A5 PolarHBondContact O-N 3.27Å; A5-A9 WeakPolarHBondContact O-CB 3.38Å; A5-A9 PolarHBondContact O-N 2.7Å; A5-A9 VanDerWaalsContact O-N 3.16Å; A5-V86 HydrophobicContact CB-CB 4.15Å; A5-V86 HydrophobicContact CB-CG1 3.92Å; A5-V86 HydrophobicContact CB-CG2 4.01Å
6I89.8Confident86.1Confident0 Ų060.1 Ų60.10%033%0.328CS..Hα-helixtrans-65.4-44.1172.7-67.1163.2000109.5G2 R3 A9 L10 T51 L54 V55 M64 T67 L83G2-I6 WeakPolarHBondContact O-CD1 3.46Å; G2-I6 VanDerWaalsContact O-CG1 3.25Å; G2-I6 WeakPolarHBondContact O-CG1 3.5Å; G2-I6 PolarHBondContact O-N 2.99Å; R3-I6 PolarHBondContact O-N 2.99Å; I6-A9 PolarHBondContact O-N 3.27Å; I6-L10 HydrophobicContact CG2-CD1 3.82Å; I6-L10 HydrophobicContact CG2-CG 4.24Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.36Å; I6-L10 PolarHBondContact O-N 3Å; I6-T51 HydrophobicContact CB-CG2 3.96Å; I6-T51 HydrophobicContact CG2-CG2 3.83Å; I6-L54 HydrophobicContact CG2-CD1 4.15Å; I6-V55 HydrophobicContact CD1-CG2 3.91Å; I6-M64 HydrophobicContact CD1-CB 4.41Å; I6-M64 HydrophobicContact CD1-CG 3.7Å; I6-M64 HydrophobicContact CG1-CG 3.79Å; I6-T67 HydrophobicContact CG2-CG2 4.21Å; I6-L83 HydrophobicContact CG1-CD2 4.05Å
7L91.9Very high86.3Confident20 Ų2060.2 Ų60.211%0.10533%0.326CS..Hα-helixtrans-60.4-51.1179.7-18057000111.5R3 D4 A9 L10 E11 A47 M48 T51R3-L7 PolarHBondContact O-N 3.2Å; D4-L7 PolarHBondContact O-N 3.15Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 3.13Å; L7-L10 CarbonylContact O-C 3.45Å; L7-L10 PolarHBondContact O-N 3.33Å; L7-E11 HydrophobicContact CD1-CG 3.9Å; L7-E11 HydrophobicContact CG-CG 4.3Å; L7-E11 PolarHBondContact O-N 2.92Å; L7-A47 HydrophobicContact CD1-CB 4.38Å; L7-M48 HydrophobicContact CD1-CB 4.3Å; L7-M48 HydrophobicContact CD1-CG 3.59Å; L7-M48 HydrophobicContact CD2-CG 3.95Å; L7-M48 HydrophobicContact CG-CG 4.44Å; L7-T51 WeakPolarHBondContact CA-OG1 3.28Å; L7-T51 HydrophobicContact CB-CG2 3.93Å
8D89.6Confident86.5Confident85 Ų8558.2 Ų58.246%0.45531%0.314SS..Hα-helixtrans-57.2-44.1179.2-170.3-92.9000111.1D4 L10 E11 N12D4-D8 WeakPolarHBondContact O-CB 3.41Å; D4-D8 PolarHBondContact O-N 2.99Å; D8-L10 PolarHBondContact O-N 2.82Å; D8-E11 PolarHBondContact O-N 3.39Å; D8-N12 PolarHBondContact O-N 2.89Å; D8-N12 PolarHBondContact O-ND2 3.26Å; D8-N12 PolarHBondContact OD1-ND2 3.34Å
9A89.1Confident86.6Confident2 Ų261.2 Ų61.22%0.01732%0.324CS..Hα-helixtrans-64.4-37.8176.100000113A5 I6 L7 L13 L71 L83A5-A9 WeakPolarHBondContact O-CB 3.38Å; A5-A9 PolarHBondContact O-N 2.7Å; A5-A9 VanDerWaalsContact O-N 3.16Å; I6-A9 PolarHBondContact O-N 3.27Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 3.13Å; A9-L13 WeakPolarHBondContact O-CG 3.41Å; A9-L71 HydrophobicContact CB-CD1 4.2Å; A9-L83 HydrophobicContact CB-CD1 3.32Å; A9-L83 HydrophobicContact CB-CG 4.41Å
10L90.1Very high86.8Confident1 Ų163.6 Ų63.61%0.00533%0.332CS..Hα-helixtrans-75.2-31.5178.2-69.3-179.5000113.1I6 L7 D8 L13 L18 F21 A47 L50 T51 L54I6-L10 HydrophobicContact CG2-CD1 3.82Å; I6-L10 HydrophobicContact CG2-CG 4.24Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.36Å; I6-L10 PolarHBondContact O-N 3Å; L7-L10 CarbonylContact O-C 3.45Å; L7-L10 PolarHBondContact O-N 3.33Å; D8-L10 PolarHBondContact O-N 2.82Å; L10-L13 HydrophobicContact CD2-CD1 3.69Å; L10-L13 VanDerWaalsContact O-CB 3.32Å; L10-L13 WeakPolarHBondContact O-CB 3.47Å; L10-L13 PolarHBondContact O-N 3.3Å; L10-L18 HydrophobicContact CB-CD1 4.35Å; L10-L18 HydrophobicContact CD2-CD1 4.41Å; L10-F21 HydrophobicContact CD2-CD1 4.01Å; L10-F21 HydrophobicContact CD2-CD2 4.16Å; L10-F21 HydrophobicContact CD2-CE1 3.89Å; L10-F21 HydrophobicContact CD2-CE2 4.04Å; L10-F21 HydrophobicContact CD2-CG 4.17Å; L10-F21 HydrophobicContact CD2-CZ 3.9Å; L10-A47 HydrophobicContact CB-CB 3.99Å; L10-L50 HydrophobicContact CD1-CB 4.35Å; L10-L50 HydrophobicContact CD1-CD2 3.95Å; L10-L50 HydrophobicContact CD1-CG 3.98Å; L10-L50 HydrophobicContact CD2-CD2 4.45Å; L10-T51 WeakPolarHBondContact CD1-OG1 3.45Å; L10-L54 HydrophobicContact CD1-CD1 4.33Å
11E90.2Very high87Confident121 Ų12160.6 Ų60.657%0.56532%0.316SS*.Hα-helixtrans-73.2-29.6174.7-74.6-165118.800112.5L7 D8 L13 A47L7-E11 HydrophobicContact CD1-CG 3.9Å; L7-E11 HydrophobicContact CG-CG 4.3Å; L7-E11 PolarHBondContact O-N 2.92Å; D8-E11 PolarHBondContact O-N 3.39Å; E11-L13 PolarHBondContact O-N 3.14Å; E11-A47 HydrophobicContact CG-CB 4.14Å
12N88.8Confident88.1Confident93 Ų9353.9 Ų53.950%0.49728%0.283SS..THydrogen-bonded Turntrans-71.1-8.8170.9-79.3-67.5000113.1D8 L79D8-N12 PolarHBondContact O-N 2.89Å; D8-N12 PolarHBondContact O-ND2 3.26Å; D8-N12 PolarHBondContact OD1-ND2 3.34Å; N12-L79 HydrophobicContact CB-CD1 4.3Å; N12-L79 HydrophobicContact CB-CD2 3.76Å
13L88.4Confident88.9Confident16 Ų1656.6 Ų56.68%0.08430%0.296CS..SBendtrans-80.5136.8173.5-56.7-176.2000111.1A9 L10 E11 E17 L18 F21 L71 M76 L79A9-L13 WeakPolarHBondContact O-CG 3.41Å; L10-L13 HydrophobicContact CD2-CD1 3.69Å; L10-L13 VanDerWaalsContact O-CB 3.32Å; L10-L13 WeakPolarHBondContact O-CB 3.47Å; L10-L13 PolarHBondContact O-N 3.3Å; E11-L13 PolarHBondContact O-N 3.14Å; L13-E17 HydrophobicContact CB-CB 4.04Å; L13-E17 HydrophobicContact CD2-CB 4.23Å; L13-L18 HydrophobicContact CB-CB 4.34Å; L13-L18 HydrophobicContact CD1-CD1 4.33Å; L13-F21 HydrophobicContact CD1-CB 4.11Å; L13-F21 HydrophobicContact CD1-CD2 4.24Å; L13-F21 HydrophobicContact CD1-CG 4.28Å; L13-L71 HydrophobicContact CD1-CD2 4.37Å; L13-L71 HydrophobicContact CD2-CD2 4.02Å; L13-M76 HydrophobicContact CD2-CE 3.36Å; L13-M76 HydrophobicContact CD2-SD 3.15Å; L13-M76 WeakPolarHBondContact CD2-SD 3.37Å; L13-L79 HydrophobicContact CD2-CD1 3.53Å
14T87.7Confident89Confident79 Ų7956.4 Ų56.449%0.48530%0.297SS..  trans-66.5161.9164.762.20000111.1D16 E17 L18T14-D16 PolarHBondContact O-N 3.31Å; T14-E17 WeakPolarHBondContact CB-OE2 3.36Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.35Å; T14-E17 PolarHBondContact N-OE2 2.83Å; T14-E17 PolarHBondContact O-N 3.46Å; T14-E17 WeakPolarHBondContact OG1-CB 3.25Å; T14-E17 VanDerWaalsContact OG1-CG 3.25Å; T14-E17 WeakPolarHBondContact OG1-CG 3.49Å; T14-E17 PolarHBondContact OG1-N 3.43Å; T14-E17 PolarHBondContact OG1-OE2 2.89Å; T14-L18 WeakPolarHBondContact O-CB 3.41Å; T14-L18 PolarHBondContact O-N 3.02Å
15A86.9Confident89.2Confident84 Ų8452 Ų5269%0.69427%0.273SS*.Hα-helixtrans-57.1-36.518000000113.4K19A15-K19 WeakPolarHBondContact O-CB 3.28Å; A15-K19 PolarHBondContact O-N 3.38Å
16D87.6Confident89.1Confident127 Ų12753.2 Ų53.268%0.67928%0.278SS*.Hα-helixtrans-70.4-39.4175.8-77.8-73.1000112.3T14 K19 K20T14-D16 PolarHBondContact O-N 3.31Å; D16-K19 PolarHBondContact O-N 3.18Å; D16-K20 WeakPolarHBondContact O-CB 3.48Å; D16-K20 PolarHBondContact O-N 3.14Å
17E89.4Confident88.9Confident62 Ų6257.5 Ų57.529%0.2931%0.307SS..Hα-helixtrans-67.2-43.9174.8-71.9166.3144.100111.3L13 T14 K19 K20 F21 M74 M76L13-E17 HydrophobicContact CB-CB 4.04Å; L13-E17 HydrophobicContact CD2-CB 4.23Å; T14-E17 WeakPolarHBondContact CB-OE2 3.36Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.35Å; T14-E17 PolarHBondContact N-OE2 2.83Å; T14-E17 PolarHBondContact O-N 3.46Å; T14-E17 WeakPolarHBondContact OG1-CB 3.25Å; T14-E17 VanDerWaalsContact OG1-CG 3.25Å; T14-E17 WeakPolarHBondContact OG1-CG 3.49Å; T14-E17 PolarHBondContact OG1-N 3.43Å; T14-E17 PolarHBondContact OG1-OE2 2.89Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 2.74Å; E17-K20 CarbonylContact O-C 3.51Å; E17-K20 WeakPolarHBondContact O-CA 3.44Å; E17-K20 WeakPolarHBondContact O-CB 3.42Å; E17-K20 PolarHBondContact O-N 3.05Å; E17-F21 WeakPolarHBondContact O-CB 3.29Å; E17-F21 PolarHBondContact O-N 3.34Å; E17-M74 HydrophobicContact CB-CE 3.93Å; E17-M74 HydrophobicContact CG-CE 4.49Å; E17-M74 WeakPolarHBondContact O-CE 3.5Å; E17-M76 HydrophobicContact CB-SD 4.48Å; E17-M76 HydrophobicContact CG-SD 4.46Å; E17-M76 WeakPolarHBondContact OE1-CE 3.43Å
18L89.3Confident88.6Confident23 Ų2357.1 Ų57.112%0.1231%0.306CS..Hα-helixtrans-59-40.2174.4-168.497.8000111L10 L13 T14 F21 K22 A47L10-L18 HydrophobicContact CB-CD1 4.35Å; L10-L18 HydrophobicContact CD2-CD1 4.41Å; L13-L18 HydrophobicContact CB-CB 4.34Å; L13-L18 HydrophobicContact CD1-CD1 4.33Å; T14-L18 WeakPolarHBondContact O-CB 3.41Å; T14-L18 PolarHBondContact O-N 3.02Å; L18-F21 WeakPolarHBondContact O-CB 3.47Å; L18-F21 PolarHBondContact O-N 3.03Å; L18-K22 VanDerWaalsContact O-CG 3.3Å; L18-K22 WeakPolarHBondContact O-CG 3.26Å; L18-K22 PolarHBondContact O-N 3.06Å; L18-A47 HydrophobicContact CD1-CB 4.18Å
19K89.3Confident88Confident115 Ų11558.3 Ų58.350%0.532%0.318SS..Hα-helixtrans-63.8-42.4174-172.7178.4-178.7-179.80111.5A15 D16 E17 K22 M23A15-K19 WeakPolarHBondContact O-CB 3.28Å; A15-K19 PolarHBondContact O-N 3.38Å; D16-K19 PolarHBondContact O-N 3.18Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 2.74Å; K19-K22 PolarHBondContact O-N 3.45Å; K19-M23 WeakPolarHBondContact O-CG 3.4Å; K19-M23 PolarHBondContact O-N 2.77Å; K19-M23 VanDerWaalsContact O-N 3.14Å
20K90.4Very high87.7Confident110 Ų11059.7 Ų59.748%0.47833%0.325SS..Hα-helixtrans-65.3-39.5176-170.5-179.6-178.7-171.90111.6D16 E17 M23 K24 M74D16-K20 WeakPolarHBondContact O-CB 3.48Å; D16-K20 PolarHBondContact O-N 3.14Å; E17-K20 CarbonylContact O-C 3.51Å; E17-K20 WeakPolarHBondContact O-CA 3.44Å; E17-K20 WeakPolarHBondContact O-CB 3.42Å; E17-K20 PolarHBondContact O-N 3.05Å; K20-M23 PolarHBondContact O-N 3.49Å; K20-K24 WeakPolarHBondContact O-CG 3.32Å; K20-K24 PolarHBondContact O-N 2.98Å; K20-M74 HydrophobicContact CB-CE 4.14Å; K20-M74 HydrophobicContact CD-CE 4.41Å; K20-M74 HydrophobicContact CD-CG 4.46Å; K20-M74 HydrophobicContact CG-CE 4.42Å; K20-M74 HydrophobicContact CG-CG 4.36Å
21F91.3Very high87Confident0 Ų065.4 Ų65.40%035%0.347CS..Hα-helixtrans-56.8-51.2174.1-178.1-85000110.8L10 L13 E17 L18 M23 K24 L25 L50 L54 T67 V70 L71 M74L10-F21 HydrophobicContact CD2-CD1 4.01Å; L10-F21 HydrophobicContact CD2-CD2 4.16Å; L10-F21 HydrophobicContact CD2-CE1 3.89Å; L10-F21 HydrophobicContact CD2-CE2 4.04Å; L10-F21 HydrophobicContact CD2-CG 4.17Å; L10-F21 HydrophobicContact CD2-CZ 3.9Å; L13-F21 HydrophobicContact CD1-CB 4.11Å; L13-F21 HydrophobicContact CD1-CD2 4.24Å; L13-F21 HydrophobicContact CD1-CG 4.28Å; E17-F21 WeakPolarHBondContact O-CB 3.29Å; E17-F21 PolarHBondContact O-N 3.34Å; L18-F21 WeakPolarHBondContact O-CB 3.47Å; L18-F21 PolarHBondContact O-N 3.03Å; F21-M23 VanDerWaalsContact C-N 3.3Å; F21-M23 PolarHBondContact O-N 3.36Å; F21-K24 PolarHBondContact O-N 2.88Å; F21-K24 VanDerWaalsContact O-N 3.14Å; F21-L25 WeakPolarHBondContact O-CB 3.11Å; F21-L25 PolarHBondContact O-N 3.36Å; F21-L50 HydrophobicContact CD1-CD2 4Å; F21-L50 HydrophobicContact CE1-CD2 4.04Å; F21-L54 HydrophobicContact CE1-CD1 4.32Å; F21-L54 HydrophobicContact CZ-CD1 4.46Å; F21-T67 HydrophobicContact CE2-CG2 3.95Å; F21-T67 HydrophobicContact CZ-CG2 3.9Å; F21-V70 HydrophobicContact CD1-CG1 4.41Å; F21-V70 HydrophobicContact CD2-CB 4.07Å; F21-V70 HydrophobicContact CD2-CG1 3.31Å; F21-V70 HydrophobicContact CE1-CG1 4.46Å; F21-V70 HydrophobicContact CE2-CB 3.62Å; F21-V70 HydrophobicContact CE2-CG1 3.39Å; F21-V70 HydrophobicContact CG-CG1 3.85Å; F21-V70 HydrophobicContact CZ-CB 4.12Å; F21-V70 HydrophobicContact CZ-CG1 3.99Å; F21-L71 HydrophobicContact CD2-CD2 4.18Å; F21-L71 HydrophobicContact CD2-CG 4.46Å; F21-L71 HydrophobicContact CE2-CD2 4.33Å; F21-L71 HydrophobicContact CE2-CG 4.17Å; F21-M74 WeakPolarHBondContact CA-SD 3.42Å; F21-M74 HydrophobicContact CB-CE 4.09Å; F21-M74 HydrophobicContact CB-SD 3.48Å; F21-M74 WeakPolarHBondContact CB-SD 3.48Å; F21-M74 HydrophobicContact CD2-SD 3.81Å; F21-M74 HydrophobicContact CG-SD 4.11Å; F21-M74 PolarHBondContact N-SD 2.82Å
22K90.1Very high85.9Confident15 Ų1568.9 Ų68.97%0.06536%0.363CS..Hα-helixtrans-57.8-40.7176.1-67.8166.4177.1176.70112.3L18 K19 L25 L26 L42 L43 M45 L50L18-K22 VanDerWaalsContact O-CG 3.3Å; L18-K22 WeakPolarHBondContact O-CG 3.26Å; L18-K22 PolarHBondContact O-N 3.06Å; K19-K22 PolarHBondContact O-N 3.45Å; K22-L25 PolarHBondContact O-N 3.41Å; K22-L26 WeakPolarHBondContact O-CG 3.38Å; K22-L26 PolarHBondContact O-N 3.28Å; K22-L42 HydrophobicContact CB-CD2 3.92Å; K22-L42 HydrophobicContact CB-CG 4.15Å; K22-L42 WeakPolarHBondContact CD-O 3.39Å; K22-L42 VanDerWaalsContact CE-O 3.32Å; K22-L42 WeakPolarHBondContact CE-O 3.17Å; K22-L42 HydrophobicContact CG-CD2 4.37Å; K22-L42 HydrophobicContact CG-CG 4.1Å; K22-L42 WeakPolarHBondContact O-CD2 3.4Å; K22-L43 PolarHBondContact NZ-O 3.3Å; K22-M45 WeakPolarHBondContact CE-O 3.15Å; K22-M45 PolarHBondContact NZ-O 3.2Å; K22-L50 HydrophobicContact CG-CD2 4.19Å
23M89.3Confident85.1Confident57 Ų5768.6 Ų68.628%0.28138%0.382SS..Hα-helixtrans-67.8-38.9177.2-65.8-64.6171.300112.5K19 K20 F21 L26 S27 L43K19-M23 WeakPolarHBondContact O-CG 3.4Å; K19-M23 PolarHBondContact O-N 2.77Å; K19-M23 VanDerWaalsContact O-N 3.14Å; K20-M23 PolarHBondContact O-N 3.49Å; F21-M23 VanDerWaalsContact C-N 3.3Å; F21-M23 PolarHBondContact O-N 3.36Å; M23-L26 PolarHBondContact O-N 2.93Å; M23-S27 PolarHBondContact O-N 3.43Å; M23-S27 PolarHBondContact O-OG 2.91Å; M23-S27 VanDerWaalsContact O-OG 3.07Å; M23-L43 HydrophobicContact CE-CD2 4.08Å
24K88.9Confident84.6Confident63 Ų6371.5 Ų71.527%0.27439%0.393SS..Hα-helixtrans-68.5-37.7175.8-77.3-71.4-164165.30111.7K20 F21 L26 S27 V28 V70 E73 M74K20-K24 WeakPolarHBondContact O-CG 3.32Å; K20-K24 PolarHBondContact O-N 2.98Å; F21-K24 PolarHBondContact O-N 2.88Å; F21-K24 VanDerWaalsContact O-N 3.14Å; K24-L26 PolarHBondContact O-N 3.5Å; K24-S27 CarbonylContact O-C 3.54Å; K24-S27 WeakPolarHBondContact O-CA 3.46Å; K24-S27 PolarHBondContact O-N 3.21Å; K24-V28 PolarHBondContact O-N 2.86Å; K24-V70 HydrophobicContact CB-CG1 3.7Å; K24-E73 HydrophobicContact CD-CB 4.34Å; K24-E73 IonicContact NZ-OE2 3.37Å; K24-E73 PolarHBondContact NZ-OE2 3.28Å; K24-M74 HydrophobicContact CG-CG 4.08Å
25L88.3Confident84.2Confident4 Ų469.7 Ų69.72%0.02139%0.389CS..Hα-helixtrans-60.3-30.3174.1-165.274000112.7F21 K22 S27 V28 L42 L54 L66 V70F21-L25 WeakPolarHBondContact O-CB 3.11Å; F21-L25 PolarHBondContact O-N 3.36Å; K22-L25 PolarHBondContact O-N 3.41Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-V28 WeakPolarHBondContact O-CG1 3.4Å; L25-L42 HydrophobicContact CB-CD2 4.41Å; L25-L42 HydrophobicContact CD2-CD1 3.73Å; L25-L42 HydrophobicContact CD2-CD2 4.02Å; L25-L54 HydrophobicContact CD1-CD2 4.17Å; L25-L54 HydrophobicContact CD2-CD2 3.9Å; L25-L66 HydrophobicContact CD1-CD1 4.37Å; L25-L66 HydrophobicContact CD1-CD2 3.69Å; L25-L66 HydrophobicContact CD1-CG 3.79Å; L25-V70 HydrophobicContact CD1-CG2 3.94Å
26L85.7Confident84.1Confident41 Ų4172.2 Ų72.222%0.21538%0.381CS..Hα-helixtrans-75.3-24.2173.2-65.4169.5000113.1K22 M23 K24 R39 L42K22-L26 WeakPolarHBondContact O-CG 3.38Å; K22-L26 PolarHBondContact O-N 3.28Å; M23-L26 PolarHBondContact O-N 2.93Å; K24-L26 PolarHBondContact O-N 3.5Å; L26-R39 HydrophobicContact CD1-CB 3.97Å; L26-R39 HydrophobicContact CD1-CG 3.81Å; L26-R39 HydrophobicContact CD2-CB 4.26Å; L26-L42 HydrophobicContact CD1-CD2 4.4Å; L26-L42 HydrophobicContact CD2-CD2 4.03Å; L26-L42 HydrophobicContact CG-CD2 3.92Å
27S85.4Confident84Confident89 Ų8966.3 Ų66.362%0.62235%0.349SS*.Hα-helixtrans-97.2-26.5-174.8-540000113M23 K24 L25M23-S27 PolarHBondContact O-N 3.43Å; M23-S27 PolarHBondContact O-OG 2.91Å; M23-S27 VanDerWaalsContact O-OG 3.07Å; K24-S27 CarbonylContact O-C 3.54Å; K24-S27 WeakPolarHBondContact O-CA 3.46Å; K24-S27 PolarHBondContact O-N 3.21Å; L25-S27 VanDerWaalsContact C-N 3.34Å
28V84.1Confident83.8Confident12 Ų1267.2 Ų67.27%0.07336%0.361CS..SBendtrans-61.6140-176.874.90000110.5K24 L25 L30 R36 L66 T69 V70K24-V28 PolarHBondContact O-N 2.86Å; L25-V28 WeakPolarHBondContact O-CG1 3.4Å; V28-L30 HydrophobicContact CG1-CD2 4.25Å; V28-L30 PolarHBondContact O-N 3.3Å; V28-R36 PolarHBondContact O-NH2 3.28Å; V28-L66 HydrophobicContact CG1-CD1 3.68Å; V28-L66 HydrophobicContact CG2-CD1 4.38Å; V28-T69 HydrophobicContact CG2-CG2 4.14Å; V28-V70 HydrophobicContact CB-CG2 4.38Å; V28-V70 HydrophobicContact CG1-CG2 4.28Å; V28-V70 HydrophobicContact CG2-CG2 4.45Å
29P78.1Confident83.5Confident110 Ų11073.1 Ų73.171%0.71438%0.381SS*.PPolyproline II helixtrans-65.2124.317026.3-33000109.2
30L82Confident83.2Confident32 Ų3270.7 Ų70.717%0.16839%0.389CS..PPolyproline II helixtrans-88.7155172.1-64.6179.6000109.9V28 G35 R36 Y58 L66V28-L30 HydrophobicContact CG1-CD2 4.25Å; V28-L30 PolarHBondContact O-N 3.3Å; L30-G35 WeakPolarHBondContact CD1-O 3.45Å; L30-R36 HydrophobicContact CD1-CB 4.18Å; L30-R36 HydrophobicContact CD1-CG 3.31Å; L30-R36 HydrophobicContact CG-CG 4.2Å; L30-Y58 HydrophobicContact CD1-CE1 4.01Å; L30-Y58 HydrophobicContact CD2-CE1 4Å; L30-L66 HydrophobicContact CD2-CD1 3.94Å; L30-L66 HydrophobicContact CD2-CD2 4.01Å
31R76.1Confident82.9Confident120 Ų12068.6 Ų68.645%0.45339%0.386SS..PPolyproline II helixtrans-65.1144.8172.6-167.8179.2-72-176.12.9109.3G33 Y34 Y62 E65R31-G33 PolarHBondContact O-N 3.47Å; R31-Y34 HydrophobicContact CB-CD2 3.99Å; R31-Y34 HydrophobicContact CB-CE2 4.41Å; R31-Y34 PolarHBondContact O-N 3.23Å; R31-Y34 VanDerWaalsContact O-N 3.15Å; R31-Y62 HydrophobicContact CB-CE2 4.17Å; R31-Y62 PolarHBondContact N-OH 3.27Å; R31-E65 IonicContact NH2-OE2 2.73Å; R31-E65 PolarHBondContact NH2-OE2 3.22Å
32E67.1Low82.7Confident194 Ų19468.7 Ų68.791%0.90739%0.386SS*.THydrogen-bonded Turntrans-54.5135.2179-71.4-177.5101.900110.9
33G71.8Confident82.3Confident88 Ų8871.1 Ų71.191%0.90740%0.399SS*.THydrogen-bonded Turntrans93.4-14.4-176.200000115.5R31R31-G33 PolarHBondContact O-N 3.47Å
34Y78.8Confident82.2Confident77 Ų7773.3 Ų73.330%0.30242%0.418SS..PPolyproline II helixtrans-93.8126.3175.4-70.4-89.3000112R31 Y58 Y62R31-Y34 HydrophobicContact CB-CD2 3.99Å; R31-Y34 HydrophobicContact CB-CE2 4.41Å; R31-Y34 PolarHBondContact O-N 3.23Å; R31-Y34 VanDerWaalsContact O-N 3.15Å; Y34-Y58 AromaticContact CD1-CD1 3.78Å; Y34-Y58 HydrophobicContact CD1-CD1 3.78Å; Y34-Y58 HydrophobicContact CD1-CE1 4.46Å; Y34-Y58 HydrophobicContact CG-CD1 4.31Å; Y34-Y62 HydrophobicContact CD1-CD1 4.2Å; Y34-Y62 HydrophobicContact CD1-CE1 4.13Å; Y34-Y62 HydrophobicContact CD2-CD1 4.42Å; Y34-Y62 HydrophobicContact CD2-CE1 4.05Å; Y34-Y62 HydrophobicContact CE1-CD1 4Å; Y34-Y62 HydrophobicContact CE1-CE1 4.37Å; Y34-Y62 HydrophobicContact CE2-CD1 4.24Å; Y34-Y62 HydrophobicContact CE2-CE1 4.29Å; Y34-Y62 HydrophobicContact CG-CD1 4.39Å; Y34-Y62 AromaticContact CG-CE1 3.94Å; Y34-Y62 HydrophobicContact CG-CE1 3.94Å
35G79.1Confident82.2Confident40 Ų4071.5 Ų71.541%0.41241%0.411SS..PPolyproline II helixtrans-75.2153.8173.700000112.1L30 F57 Y58L30-G35 WeakPolarHBondContact CD1-O 3.45Å; G35-F57 WeakPolarHBondContact O-CE1 3.38Å; G35-Y58 WeakPolarHBondContact O-CE1 3.32Å; G35-Y58 PolarHBondContact O-OH 3.47Å
36R84.9Confident82.2Confident137 Ų13775.1 Ų75.152%0.51743%0.43SS..PPolyproline II helixtrans-82.3137.2170.8-74.7-179.5170.6141.6-3.8110.6V28 L30V28-R36 PolarHBondContact O-NH2 3.28Å; L30-R36 HydrophobicContact CD1-CB 4.18Å; L30-R36 HydrophobicContact CD1-CG 3.31Å; L30-R36 HydrophobicContact CG-CG 4.2Å
37I85.5Confident82.4Confident4 Ų474 Ų742%0.02143%0.426CS..PPolyproline II helixtrans-63.5129.1170-60.3169.9000108.6R39 L42 K53 F57 Y58I37-R39 PolarHBondContact O-N 2.82Å; I37-L42 HydrophobicContact CB-CD1 4.41Å; I37-L42 HydrophobicContact CD1-CD1 4.3Å; I37-L42 HydrophobicContact CG2-CB 4.16Å; I37-L42 HydrophobicContact CG2-CD1 4.11Å; I37-K53 HydrophobicContact CD1-CG 3.8Å; I37-F57 HydrophobicContact CG1-CD1 3.99Å; I37-F57 HydrophobicContact CG1-CE1 4.36Å; I37-F57 HydrophobicContact CG1-CG 4.34Å; I37-Y58 HydrophobicContact CD1-CD2 4.35Å; I37-Y58 HydrophobicContact CD1-CE2 3.55Å; I37-Y58 HydrophobicContact CG1-CE2 3.91Å; I37-Y58 PolarHBondContact N-OH 3.06Å
38P84.4Confident82.6Confident81 Ų8174.2 Ų74.253%0.52642%0.419SS..PPolyproline II helixtrans-58.1135.1178-23.532.6000111.7G40 T41 L42P38-G40 PolarHBondContact O-N 3.12Å; P38-T41 PolarHBondContact O-N 3.5Å; P38-L42 PolarHBondContact O-N 2.95Å; P38-L42 VanDerWaalsContact O-N 3.08Å
39R83.1Confident83Confident146 Ų14678 Ų7855%0.55144%0.439SS*.Hα-helixtrans-52.6-41.5179.8178.5172.8173.6147.9-1.6112.4L26 I37 T41 L42 L43L26-R39 HydrophobicContact CD1-CB 3.97Å; L26-R39 HydrophobicContact CD1-CG 3.81Å; L26-R39 HydrophobicContact CD2-CB 4.26Å; I37-R39 PolarHBondContact O-N 2.82Å; R39-T41 PolarHBondContact O-N 3.41Å; R39-L42 PolarHBondContact O-N 3.18Å; R39-L43 HydrophobicContact CG-CD1 3.3Å; R39-L43 WeakPolarHBondContact O-CD1 3.42Å; R39-L43 PolarHBondContact O-N 3.23Å; R39-L43 VanDerWaalsContact O-N 3.12Å
40G83.8Confident83.6Confident64 Ų6472.8 Ų72.866%0.6641%0.405SS*.Hα-helixtrans-61.7-30.2-179.600000114P38 P44P38-G40 PolarHBondContact O-N 3.12Å; G40-P44 WeakPolarHBondContact O-CD 3.48Å; G40-P44 WeakPolarHBondContact O-CG 3.43Å
41T83.9Confident84.1Confident67 Ų6771.3 Ų71.341%0.41140%0.397SS..Hα-helixtrans-86.4-34176.8-36.80000111.3P38 R39 P44 M45P38-T41 PolarHBondContact O-N 3.5Å; R39-T41 PolarHBondContact O-N 3.41Å; T41-P44 WeakPolarHBondContact O-CD 3.32Å; T41-M45 HydrophobicContact CG2-CE 3.39Å; T41-M45 WeakPolarHBondContact O-CE 3.41Å; T41-M45 WeakPolarHBondContact O-CG 3.45Å
42L85.9Confident84.7Confident2 Ų268.6 Ų68.61%0.0139%0.392CS..Hα-helixtrans-73.1-38.8-175.2-169.274.3000114K22 L25 L26 I37 P38 R39 L50K22-L42 HydrophobicContact CB-CD2 3.92Å; K22-L42 HydrophobicContact CB-CG 4.15Å; K22-L42 WeakPolarHBondContact CD-O 3.39Å; K22-L42 VanDerWaalsContact CE-O 3.32Å; K22-L42 WeakPolarHBondContact CE-O 3.17Å; K22-L42 HydrophobicContact CG-CD2 4.37Å; K22-L42 HydrophobicContact CG-CG 4.1Å; K22-L42 WeakPolarHBondContact O-CD2 3.4Å; L25-L42 HydrophobicContact CB-CD2 4.41Å; L25-L42 HydrophobicContact CD2-CD1 3.73Å; L25-L42 HydrophobicContact CD2-CD2 4.02Å; L26-L42 HydrophobicContact CD1-CD2 4.4Å; L26-L42 HydrophobicContact CD2-CD2 4.03Å; L26-L42 HydrophobicContact CG-CD2 3.92Å; I37-L42 HydrophobicContact CB-CD1 4.41Å; I37-L42 HydrophobicContact CD1-CD1 4.3Å; I37-L42 HydrophobicContact CG2-CB 4.16Å; I37-L42 HydrophobicContact CG2-CD1 4.11Å; P38-L42 PolarHBondContact O-N 2.95Å; P38-L42 VanDerWaalsContact O-N 3.08Å; R39-L42 PolarHBondContact O-N 3.18Å; L42-L50 HydrophobicContact CD1-CD1 3.44Å; L42-L50 VanDerWaalsContact CD1-CD1 3.44Å
43L82.9Confident85.8Confident66 Ų6662.9 Ų62.935%0.34636%0.364SS..THydrogen-bonded Turntrans-60.6-48.6-177.9-93.8132000114.5K22 M23 R39 M45K22-L43 PolarHBondContact NZ-O 3.3Å; M23-L43 HydrophobicContact CE-CD2 4.08Å; R39-L43 HydrophobicContact CG-CD1 3.3Å; R39-L43 WeakPolarHBondContact O-CD1 3.42Å; R39-L43 PolarHBondContact O-N 3.23Å; R39-L43 VanDerWaalsContact O-N 3.12Å; L43-M45 PolarHBondContact O-N 2.87Å
44P87Confident86.6Confident103 Ų10358.7 Ų58.767%0.66932%0.321SS*.THydrogen-bonded Turntrans-76.6-15.1-17629.6-36.3000114.8G40 T41G40-P44 WeakPolarHBondContact O-CD 3.48Å; G40-P44 WeakPolarHBondContact O-CG 3.43Å; T41-P44 WeakPolarHBondContact O-CD 3.32Å
45M87.8Confident87.1Confident24 Ų2456.3 Ų56.312%0.11831%0.314CS..  trans-62.4141.2-179.2-73.1176.4-170.300112.2K22 T41 L43 D49 L50 K53K22-M45 WeakPolarHBondContact CE-O 3.15Å; K22-M45 PolarHBondContact NZ-O 3.2Å; T41-M45 HydrophobicContact CG2-CE 3.39Å; T41-M45 WeakPolarHBondContact O-CE 3.41Å; T41-M45 WeakPolarHBondContact O-CG 3.45Å; L43-M45 PolarHBondContact O-N 2.87Å; M45-D49 HydrophobicContact CB-CB 3.9Å; M45-D49 HydrophobicContact CG-CB 3.95Å; M45-L50 HydrophobicContact CB-CB 4.27Å; M45-K53 HydrophobicContact CE-CB 4.19Å; M45-K53 HydrophobicContact CE-CD 4.2Å; M45-K53 HydrophobicContact CE-CG 3.88Å; M45-K53 HydrophobicContact SD-CB 3.94Å; M45-K53 HydrophobicContact SD-CG 4.15Å
46D89.4Confident87.5Confident80 Ų8059 Ų5943%0.42833%0.326SS..  trans-81.5-17716766.115.6000111.2M48 D49 L50D46-M48 VanDerWaalsContact C-N 3.3Å; D46-M48 PolarHBondContact O-N 3.49Å; D46-M48 PolarHBondContact OD1-N 3Å; D46-M48 VanDerWaalsContact OD1-N 3.16Å; D46-D49 VanDerWaalsContact OD1-CB 3.29Å; D46-D49 WeakPolarHBondContact OD1-CB 3.4Å; D46-D49 VanDerWaalsContact OD1-CG 3.31Å; D46-D49 PolarHBondContact OD1-N 2.64Å; D46-L50 WeakPolarHBondContact O-CB 3.3Å; D46-L50 PolarHBondContact O-N 3.46Å
47A89.4Confident87.6Confident17 Ų1756.6 Ų56.614%0.1432%0.32CS..Hα-helixtrans-62.6-37-179.500000112.1L7 L10 E11 L18 T51L7-A47 HydrophobicContact CD1-CB 4.38Å; L10-A47 HydrophobicContact CB-CB 3.99Å; E11-A47 HydrophobicContact CG-CB 4.14Å; L18-A47 HydrophobicContact CD1-CB 4.18Å; A47-T51 WeakPolarHBondContact O-CB 3.47Å; A47-T51 PolarHBondContact O-N 2.93Å; A47-T51 PolarHBondContact O-OG1 3.4Å
48M90.3Very high87.5Confident95 Ų9556.4 Ų56.447%0.46832%0.319SS..Hα-helixtrans-68.6-53.4178-89.3-170.8-10000112L7 D46 L50 T51 D52L7-M48 HydrophobicContact CD1-CB 4.3Å; L7-M48 HydrophobicContact CD1-CG 3.59Å; L7-M48 HydrophobicContact CD2-CG 3.95Å; L7-M48 HydrophobicContact CG-CG 4.44Å; D46-M48 VanDerWaalsContact C-N 3.3Å; D46-M48 PolarHBondContact O-N 3.49Å; D46-M48 PolarHBondContact OD1-N 3Å; D46-M48 VanDerWaalsContact OD1-N 3.16Å; M48-L50 VanDerWaalsContact C-N 3.26Å; M48-L50 PolarHBondContact O-N 3.44Å; M48-T51 WeakPolarHBondContact O-CB 3.39Å; M48-T51 PolarHBondContact O-N 3.26Å; M48-T51 VanDerWaalsContact O-N 3.11Å; M48-D52 PolarHBondContact O-N 2.85Å
49D91.9Very high87.5Confident92 Ų9257.5 Ų57.549%0.49232%0.32SS..Hα-helixtrans-59.2-40.3178.4-73.3-25.5000111.2M45 D46 K53M45-D49 HydrophobicContact CB-CB 3.9Å; M45-D49 HydrophobicContact CG-CB 3.95Å; D46-D49 VanDerWaalsContact OD1-CB 3.29Å; D46-D49 WeakPolarHBondContact OD1-CB 3.4Å; D46-D49 VanDerWaalsContact OD1-CG 3.31Å; D46-D49 PolarHBondContact OD1-N 2.64Å; D49-K53 VanDerWaalsContact O-CB 3.25Å; D49-K53 WeakPolarHBondContact O-CB 3.42Å; D49-K53 PolarHBondContact O-N 3.04Å
50L90.4Very high87.5Confident0 Ų053.6 Ų53.60%031%0.308CS..Hα-helixtrans-64.9-42.8177178.658.3000111.2L10 F21 K22 L42 M45 D46 M48 K53 L54L10-L50 HydrophobicContact CD1-CB 4.35Å; L10-L50 HydrophobicContact CD1-CD2 3.95Å; L10-L50 HydrophobicContact CD1-CG 3.98Å; L10-L50 HydrophobicContact CD2-CD2 4.45Å; F21-L50 HydrophobicContact CD1-CD2 4Å; F21-L50 HydrophobicContact CE1-CD2 4.04Å; K22-L50 HydrophobicContact CG-CD2 4.19Å; L42-L50 HydrophobicContact CD1-CD1 3.44Å; L42-L50 VanDerWaalsContact CD1-CD1 3.44Å; M45-L50 HydrophobicContact CB-CB 4.27Å; D46-L50 WeakPolarHBondContact O-CB 3.3Å; D46-L50 PolarHBondContact O-N 3.46Å; M48-L50 VanDerWaalsContact C-N 3.26Å; M48-L50 PolarHBondContact O-N 3.44Å; L50-K53 PolarHBondContact O-N 2.85Å; L50-L54 HydrophobicContact CD1-CD1 4.23Å; L50-L54 HydrophobicContact CD1-CG 4.15Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.06Å
51T91.8Very high87.3Confident0 Ų053.7 Ų53.70%030%0.303CS..Hα-helixtrans-59.7-52.7175.8-59.40000110.8R3 I6 L7 L10 A47 M48 K53 L54 V55R3-T51 HydrophobicContact CG-CG2 3.67Å; R3-T51 WeakPolarHBondContact O-CG2 3.2Å; I6-T51 HydrophobicContact CB-CG2 3.96Å; I6-T51 HydrophobicContact CG2-CG2 3.83Å; L7-T51 WeakPolarHBondContact CA-OG1 3.28Å; L7-T51 HydrophobicContact CB-CG2 3.93Å; L10-T51 WeakPolarHBondContact CD1-OG1 3.45Å; A47-T51 WeakPolarHBondContact O-CB 3.47Å; A47-T51 PolarHBondContact O-N 2.93Å; A47-T51 PolarHBondContact O-OG1 3.4Å; M48-T51 WeakPolarHBondContact O-CB 3.39Å; M48-T51 PolarHBondContact O-N 3.26Å; M48-T51 VanDerWaalsContact O-N 3.11Å; T51-K53 PolarHBondContact O-N 3.43Å; T51-L54 PolarHBondContact O-N 3.34Å; T51-L54 VanDerWaalsContact O-N 3.14Å; T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.49Å
52D90.5Very high87.3Confident64 Ų6451.6 Ų51.634%0.34229%0.287SS..Hα-helixtrans-59.5-37.6179-89.8-47.6000111.6R3 M48 S56R3-D52 IonicContact CZ-OD1 3.15Å; R3-D52 IonicContact CZ-OD2 2.75Å; R3-D52 IonicContact NE-OD1 3.95Å; R3-D52 PolarHBondContact NE-OD1 2.8Å; R3-D52 IonicContact NE-OD2 3.94Å; R3-D52 VanDerWaalsContact NH2-CG 3.32Å; R3-D52 IonicContact NH2-OD1 3.64Å; R3-D52 PolarHBondContact NH2-OD1 3.39Å; R3-D52 IonicContact NH2-OD2 2.63Å; R3-D52 PolarHBondContact NH2-OD2 2.93Å; M48-D52 PolarHBondContact O-N 2.85Å; D52-S56 WeakPolarHBondContact O-CB 3.37Å; D52-S56 PolarHBondContact O-N 2.79Å; D52-S56 PolarHBondContact O-OG 2.69Å
53K90Very high87.4Confident73 Ų7351.5 Ų51.532%0.31729%0.287SS..Hα-helixtrans-68.3-42.8176.9-167.265.6173.4179.40112.1I37 M45 D49 L50 T51 S56 F57I37-K53 HydrophobicContact CD1-CG 3.8Å; M45-K53 HydrophobicContact CE-CB 4.19Å; M45-K53 HydrophobicContact CE-CD 4.2Å; M45-K53 HydrophobicContact CE-CG 3.88Å; M45-K53 HydrophobicContact SD-CB 3.94Å; M45-K53 HydrophobicContact SD-CG 4.15Å; D49-K53 VanDerWaalsContact O-CB 3.25Å; D49-K53 WeakPolarHBondContact O-CB 3.42Å; D49-K53 PolarHBondContact O-N 3.04Å; L50-K53 PolarHBondContact O-N 2.85Å; T51-K53 PolarHBondContact O-N 3.43Å; K53-S56 PolarHBondContact O-N 3.24Å; K53-F57 WeakPolarHBondContact O-CB 3.44Å; K53-F57 PolarHBondContact O-N 3.34Å
54L88.8Confident87.5Confident0 Ų048.9 Ų48.90%027%0.273CS..Hα-helixtrans-61.6-46.2177.3-75.2170.3000110.6I6 L10 F21 L25 L50 T51 Y58 L66I6-L54 HydrophobicContact CG2-CD1 4.15Å; L10-L54 HydrophobicContact CD1-CD1 4.33Å; F21-L54 HydrophobicContact CE1-CD1 4.32Å; F21-L54 HydrophobicContact CZ-CD1 4.46Å; L25-L54 HydrophobicContact CD1-CD2 4.17Å; L25-L54 HydrophobicContact CD2-CD2 3.9Å; L50-L54 HydrophobicContact CD1-CD1 4.23Å; L50-L54 HydrophobicContact CD1-CG 4.15Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.06Å; T51-L54 PolarHBondContact O-N 3.34Å; T51-L54 VanDerWaalsContact O-N 3.14Å; L54-Y58 HydrophobicContact CD2-CD2 3.66Å; L54-Y58 HydrophobicContact CD2-CE2 3.87Å; L54-Y58 WeakPolarHBondContact O-CA 3.37Å; L54-Y58 VanDerWaalsContact O-CB 3.31Å; L54-Y58 WeakPolarHBondContact O-CB 3.44Å; L54-Y58 PolarHBondContact O-N 3.16Å; L54-L66 HydrophobicContact CD2-CD2 4.38Å
55V88.8Confident87.5Confident27 Ų2748.3 Ų48.316%0.16426%0.261CS..Hα-helixtrans-68.8-40.4179.11770000111.7R3 I6 T51 L59 E60R3-V55 HydrophobicContact CB-CG2 4.01Å; R3-V55 HydrophobicContact CG-CG2 4.15Å; I6-V55 HydrophobicContact CD1-CG2 3.91Å; T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.49Å; V55-L59 CarbonylContact O-C 3.56Å; V55-L59 WeakPolarHBondContact O-CA 3.49Å; V55-L59 PolarHBondContact O-N 2.79Å; V55-E60 HydrophobicContact CG1-CB 4.11Å
56S87Confident87.5Confident96 Ų9647.4 Ų47.467%0.67126%0.257SS*.Hα-helixtrans-72.5-33.9179-67.50000113.5D52 K53D52-S56 WeakPolarHBondContact O-CB 3.37Å; D52-S56 PolarHBondContact O-N 2.79Å; D52-S56 PolarHBondContact O-OG 2.69Å; K53-S56 PolarHBondContact O-N 3.24Å
57F86.4Confident87.6Confident87 Ų8743.6 Ų43.638%0.38224%0.236SC..Hα-helixtrans-95.6-35.9-172.6-154.8-96.1000112.9G35 I37 K53G35-F57 WeakPolarHBondContact O-CE1 3.38Å; I37-F57 HydrophobicContact CG1-CD1 3.99Å; I37-F57 HydrophobicContact CG1-CE1 4.36Å; I37-F57 HydrophobicContact CG1-CG 4.34Å; K53-F57 WeakPolarHBondContact O-CB 3.44Å; K53-F57 PolarHBondContact O-N 3.34Å
58Y84.4Confident87.6Confident1 Ų143.6 Ų43.60%0.00423%0.234CC..Hα-helixtrans-110.92.7-179.2-60.4-66.5000113.2L30 Y34 G35 I37 L54 Y62 L66L30-Y58 HydrophobicContact CD1-CE1 4.01Å; L30-Y58 HydrophobicContact CD2-CE1 4Å; Y34-Y58 AromaticContact CD1-CD1 3.78Å; Y34-Y58 HydrophobicContact CD1-CD1 3.78Å; Y34-Y58 HydrophobicContact CD1-CE1 4.46Å; Y34-Y58 HydrophobicContact CG-CD1 4.31Å; G35-Y58 WeakPolarHBondContact O-CE1 3.32Å; G35-Y58 PolarHBondContact O-OH 3.47Å; I37-Y58 HydrophobicContact CD1-CD2 4.35Å; I37-Y58 HydrophobicContact CD1-CE2 3.55Å; I37-Y58 HydrophobicContact CG1-CE2 3.91Å; I37-Y58 PolarHBondContact N-OH 3.06Å; L54-Y58 HydrophobicContact CD2-CD2 3.66Å; L54-Y58 HydrophobicContact CD2-CE2 3.87Å; L54-Y58 WeakPolarHBondContact O-CA 3.37Å; L54-Y58 VanDerWaalsContact O-CB 3.31Å; L54-Y58 WeakPolarHBondContact O-CB 3.44Å; L54-Y58 PolarHBondContact O-N 3.16Å; Y58-Y62 HydrophobicContact CD1-CD1 4.17Å; Y58-Y62 AromaticContact CD1-CE1 3.83Å; Y58-Y62 HydrophobicContact CD1-CE1 3.83Å; Y58-Y62 HydrophobicContact CG-CD1 4.37Å; Y58-Y62 HydrophobicContact CG-CE1 4.35Å; Y58-Y62 VanDerWaalsContact O-CB 3.29Å; Y58-Y62 WeakPolarHBondContact O-CB 3.32Å; Y58-Y62 WeakPolarHBondContact O-CD1 3.4Å; Y58-L66 HydrophobicContact CD1-CD2 4.32Å; Y58-L66 HydrophobicContact CD2-CD2 3.75Å; Y58-L66 HydrophobicContact CE1-CD2 4.41Å; Y58-L66 HydrophobicContact CE2-CD2 3.81Å; Y58-L66 HydrophobicContact CG-CD2 3.99Å
59L83.8Confident87.5Confident103 Ų10342.3 Ų42.354%0.53923%0.231SC..  trans69158.9-175.1-50.5170.6000113V55 A61 G63V55-L59 CarbonylContact O-C 3.56Å; V55-L59 WeakPolarHBondContact O-CA 3.49Å; V55-L59 PolarHBondContact O-N 2.79Å; L59-A61 PolarHBondContact O-N 3.04Å; L59-G63 VanDerWaalsContact O-CA 3.3Å; L59-G63 WeakPolarHBondContact O-CA 3.47Å; L59-G63 PolarHBondContact O-N 3.08Å
60E82.5Confident87.5Confident64 Ų6438 Ų3830%0.29921%0.208SC..Hα-helixtrans-60.9-48.8-176.6-176.1162.9113.800111.9M1 G2 R3 V55 M64M1-E60 PolarHBondContact N-OE1 3.12Å; M1-E60 PolarHBondContact N-OE2 3.45Å; G2-E60 PolarHBondContact N-OE1 3.29Å; G2-E60 PolarHBondContact N-OE2 2.91Å; R3-E60 PolarHBondContact N-OE2 3.03Å; R3-E60 VanDerWaalsContact N-OE2 3.11Å; V55-E60 HydrophobicContact CG1-CB 4.11Å; E60-M64 WeakPolarHBondContact O-CG 3.35Å; E60-M64 PolarHBondContact O-N 3.02Å; E60-M64 VanDerWaalsContact O-N 3.09Å
61A80.1Confident87.4Confident67 Ų6738 Ų3855%0.55421%0.208SC*.Hα-helixtrans-64.3-52.1-177.500000112.7L59 M64 E65L59-A61 PolarHBondContact O-N 3.04Å; A61-M64 PolarHBondContact O-N 3.31Å; A61-E65 PolarHBondContact O-N 3.45Å
62Y83.9Confident87.3Confident23 Ų2344 Ų449%0.0923%0.231CC..Hα-helixtrans-76.2-31.2-178.4175.7-115.6000112.4R31 Y34 Y58 M64 E65 L66R31-Y62 HydrophobicContact CB-CE2 4.17Å; R31-Y62 PolarHBondContact N-OH 3.27Å; Y34-Y62 HydrophobicContact CD1-CD1 4.2Å; Y34-Y62 HydrophobicContact CD1-CE1 4.13Å; Y34-Y62 HydrophobicContact CD2-CD1 4.42Å; Y34-Y62 HydrophobicContact CD2-CE1 4.05Å; Y34-Y62 HydrophobicContact CE1-CD1 4Å; Y34-Y62 HydrophobicContact CE1-CE1 4.37Å; Y34-Y62 HydrophobicContact CE2-CD1 4.24Å; Y34-Y62 HydrophobicContact CE2-CE1 4.29Å; Y34-Y62 HydrophobicContact CG-CD1 4.39Å; Y34-Y62 AromaticContact CG-CE1 3.94Å; Y34-Y62 HydrophobicContact CG-CE1 3.94Å; Y58-Y62 HydrophobicContact CD1-CD1 4.17Å; Y58-Y62 AromaticContact CD1-CE1 3.83Å; Y58-Y62 HydrophobicContact CD1-CE1 3.83Å; Y58-Y62 HydrophobicContact CG-CD1 4.37Å; Y58-Y62 HydrophobicContact CG-CE1 4.35Å; Y58-Y62 VanDerWaalsContact O-CB 3.29Å; Y58-Y62 WeakPolarHBondContact O-CB 3.32Å; Y58-Y62 WeakPolarHBondContact O-CD1 3.4Å; Y62-M64 VanDerWaalsContact C-N 3.32Å; Y62-M64 PolarHBondContact O-N 2.67Å; Y62-E65 PolarHBondContact O-N 3.03Å; Y62-L66 WeakPolarHBondContact O-CB 3.31Å; Y62-L66 PolarHBondContact O-N 3.4Å
63G87.3Confident87.2Confident0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-59.4-38.9170.600000112.9L59 T67L59-G63 VanDerWaalsContact O-CA 3.3Å; L59-G63 WeakPolarHBondContact O-CA 3.47Å; L59-G63 PolarHBondContact O-N 3.08Å; G63-T67 VanDerWaalsContact O-CB 3.3Å; G63-T67 WeakPolarHBondContact O-CB 3.25Å; G63-T67 PolarHBondContact O-N 3.43Å; G63-T67 PolarHBondContact O-OG1 3.29Å
64M86.8Confident87Confident11 Ų1143.9 Ų43.95%0.05423%0.229CC..Hα-helixtrans-66.9-47.9173.2-76.5-164.5-56.100112.4G2 I6 E60 A61 Y62 L66 T67 M68 L83 I87G2-M64 WeakPolarHBondContact CA-SD 3.47Å; I6-M64 HydrophobicContact CD1-CB 4.41Å; I6-M64 HydrophobicContact CD1-CG 3.7Å; I6-M64 HydrophobicContact CG1-CG 3.79Å; E60-M64 WeakPolarHBondContact O-CG 3.35Å; E60-M64 PolarHBondContact O-N 3.02Å; E60-M64 VanDerWaalsContact O-N 3.09Å; A61-M64 PolarHBondContact O-N 3.31Å; Y62-M64 VanDerWaalsContact C-N 3.32Å; Y62-M64 PolarHBondContact O-N 2.67Å; M64-L66 VanDerWaalsContact C-N 3.28Å; M64-L66 PolarHBondContact O-N 3.2Å; M64-T67 PolarHBondContact O-N 2.84Å; M64-M68 WeakPolarHBondContact O-CB 3.1Å; M64-M68 PolarHBondContact O-N 2.84Å; M64-L83 HydrophobicContact CB-CD2 4.07Å; M64-L83 HydrophobicContact CG-CD2 3.99Å; M64-L83 HydrophobicContact SD-CD2 4.42Å; M64-I87 HydrophobicContact CB-CD1 4.35Å; M64-I87 HydrophobicContact CE-CD1 4.12Å; M64-I87 HydrophobicContact CE-CG1 3.51Å; M64-I87 HydrophobicContact SD-CG1 3.99Å
65E86.4Confident86.8Confident91 Ų9146.6 Ų46.643%0.42526%0.258SS..Hα-helixtrans-59-42.7177.8-72.1-174.6176.700111.6R31 A61 Y62 M68 T69R31-E65 IonicContact NH2-OE2 2.73Å; R31-E65 PolarHBondContact NH2-OE2 3.22Å; A61-E65 PolarHBondContact O-N 3.45Å; Y62-E65 PolarHBondContact O-N 3.03Å; E65-M68 PolarHBondContact O-N 3.15Å; E65-T69 WeakPolarHBondContact O-CB 3.29Å; E65-T69 PolarHBondContact O-N 3.32Å; E65-T69 PolarHBondContact O-OG1 2.95Å
66L88.5Confident86.7Confident4 Ų447 Ų472%0.02126%0.258CS..Hα-helixtrans-63-48.7176.8-17462.3000110.8L25 V28 L30 L54 Y58 Y62 M64 M68 T69 V70L25-L66 HydrophobicContact CD1-CD1 4.37Å; L25-L66 HydrophobicContact CD1-CD2 3.69Å; L25-L66 HydrophobicContact CD1-CG 3.79Å; V28-L66 HydrophobicContact CG1-CD1 3.68Å; V28-L66 HydrophobicContact CG2-CD1 4.38Å; L30-L66 HydrophobicContact CD2-CD1 3.94Å; L30-L66 HydrophobicContact CD2-CD2 4.01Å; L54-L66 HydrophobicContact CD2-CD2 4.38Å; Y58-L66 HydrophobicContact CD1-CD2 4.32Å; Y58-L66 HydrophobicContact CD2-CD2 3.75Å; Y58-L66 HydrophobicContact CE1-CD2 4.41Å; Y58-L66 HydrophobicContact CE2-CD2 3.81Å; Y58-L66 HydrophobicContact CG-CD2 3.99Å; Y62-L66 WeakPolarHBondContact O-CB 3.31Å; Y62-L66 PolarHBondContact O-N 3.4Å; M64-L66 VanDerWaalsContact C-N 3.28Å; M64-L66 PolarHBondContact O-N 3.2Å; L66-M68 VanDerWaalsContact C-N 3.34Å; L66-M68 PolarHBondContact O-N 3.14Å; L66-T69 PolarHBondContact O-N 3.11Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.3Å; L66-V70 PolarHBondContact O-N 3.33Å
67T90.4Very high86.6Confident0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-58.3-46.9177.4-59.30000110.9I6 F21 G63 M64 T69 V70 L71 L83I6-T67 HydrophobicContact CG2-CG2 4.21Å; F21-T67 HydrophobicContact CE2-CG2 3.95Å; F21-T67 HydrophobicContact CZ-CG2 3.9Å; G63-T67 VanDerWaalsContact O-CB 3.3Å; G63-T67 WeakPolarHBondContact O-CB 3.25Å; G63-T67 PolarHBondContact O-N 3.43Å; G63-T67 PolarHBondContact O-OG1 3.29Å; M64-T67 PolarHBondContact O-N 2.84Å; T67-T69 VanDerWaalsContact C-N 3.35Å; T67-T69 PolarHBondContact O-N 3Å; T67-V70 PolarHBondContact O-N 3.45Å; T67-L71 HydrophobicContact CG2-CD1 3.97Å; T67-L71 HydrophobicContact CG2-CG 4.41Å; T67-L71 WeakPolarHBondContact O-CB 3.43Å; T67-L71 VanDerWaalsContact O-CG 3.26Å; T67-L71 WeakPolarHBondContact O-CG 3.5Å; T67-L71 PolarHBondContact O-N 2.75Å; T67-L83 HydrophobicContact CG2-CD1 4.09Å
68M88.9Confident86.5Confident18 Ų1851.6 Ų51.69%0.08927%0.27CS..Hα-helixtrans-59.9-43.9176.5-175.1-171.2-59.500112.2M64 E65 L66 V70 L71 R72 A80 L83 Q84 I87M64-M68 WeakPolarHBondContact O-CB 3.1Å; M64-M68 PolarHBondContact O-N 2.84Å; E65-M68 PolarHBondContact O-N 3.15Å; L66-M68 VanDerWaalsContact C-N 3.34Å; L66-M68 PolarHBondContact O-N 3.14Å; M68-V70 VanDerWaalsContact C-N 3.34Å; M68-V70 PolarHBondContact O-N 3.16Å; M68-L71 PolarHBondContact O-N 3.48Å; M68-R72 WeakPolarHBondContact O-CG 3.25Å; M68-R72 PolarHBondContact O-N 3.42Å; M68-A80 HydrophobicContact CG-CB 3.91Å; M68-L83 HydrophobicContact CE-CB 4.1Å; M68-Q84 VanDerWaalsContact CE-CA 3.42Å; M68-Q84 HydrophobicContact CE-CB 3.5Å; M68-Q84 HydrophobicContact CE-CG 4.2Å; M68-Q84 HydrophobicContact SD-CB 4.15Å; M68-I87 HydrophobicContact CE-CD1 3.59Å
69T88.8Confident86.5Confident68 Ų6852.2 Ų52.242%0.41727%0.274SS..Hα-helixtrans-62.4-44.3178.6-59.20000110.8V28 E65 L66 T67 R72 E73V28-T69 HydrophobicContact CG2-CG2 4.14Å; E65-T69 WeakPolarHBondContact O-CB 3.29Å; E65-T69 PolarHBondContact O-N 3.32Å; E65-T69 PolarHBondContact O-OG1 2.95Å; L66-T69 PolarHBondContact O-N 3.11Å; T67-T69 VanDerWaalsContact C-N 3.35Å; T67-T69 PolarHBondContact O-N 3Å; T69-R72 PolarHBondContact O-N 3.23Å; T69-E73 WeakPolarHBondContact O-CB 3.48Å; T69-E73 PolarHBondContact O-N 2.68Å
70V91.2Very high86.6Confident0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-65.9-40.7177.9176.10000111.4F21 K24 L25 V28 L66 T67 M68 R72 E73 M74F21-V70 HydrophobicContact CD1-CG1 4.41Å; F21-V70 HydrophobicContact CD2-CB 4.07Å; F21-V70 HydrophobicContact CD2-CG1 3.31Å; F21-V70 HydrophobicContact CE1-CG1 4.46Å; F21-V70 HydrophobicContact CE2-CB 3.62Å; F21-V70 HydrophobicContact CE2-CG1 3.39Å; F21-V70 HydrophobicContact CG-CG1 3.85Å; F21-V70 HydrophobicContact CZ-CB 4.12Å; F21-V70 HydrophobicContact CZ-CG1 3.99Å; K24-V70 HydrophobicContact CB-CG1 3.7Å; L25-V70 HydrophobicContact CD1-CG2 3.94Å; V28-V70 HydrophobicContact CB-CG2 4.38Å; V28-V70 HydrophobicContact CG1-CG2 4.28Å; V28-V70 HydrophobicContact CG2-CG2 4.45Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.3Å; L66-V70 PolarHBondContact O-N 3.33Å; T67-V70 PolarHBondContact O-N 3.45Å; M68-V70 VanDerWaalsContact C-N 3.34Å; M68-V70 PolarHBondContact O-N 3.16Å; V70-R72 PolarHBondContact O-N 3.44Å; V70-E73 WeakPolarHBondContact O-CB 3.4Å; V70-E73 PolarHBondContact O-N 3.37Å; V70-M74 HydrophobicContact CG1-SD 4.25Å; V70-M74 WeakPolarHBondContact O-CG 3.27Å; V70-M74 PolarHBondContact O-N 2.96Å
71L90.1Very high86.7Confident0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-62.1-41.8175.4-72.3169.5000111.7A9 L13 F21 T67 M68 M74 G75 M76 L79 A80 L83A9-L71 HydrophobicContact CB-CD1 4.2Å; L13-L71 HydrophobicContact CD1-CD2 4.37Å; L13-L71 HydrophobicContact CD2-CD2 4.02Å; F21-L71 HydrophobicContact CD2-CD2 4.18Å; F21-L71 HydrophobicContact CD2-CG 4.46Å; F21-L71 HydrophobicContact CE2-CD2 4.33Å; F21-L71 HydrophobicContact CE2-CG 4.17Å; T67-L71 HydrophobicContact CG2-CD1 3.97Å; T67-L71 HydrophobicContact CG2-CG 4.41Å; T67-L71 WeakPolarHBondContact O-CB 3.43Å; T67-L71 VanDerWaalsContact O-CG 3.26Å; T67-L71 WeakPolarHBondContact O-CG 3.5Å; T67-L71 PolarHBondContact O-N 2.75Å; M68-L71 PolarHBondContact O-N 3.48Å; L71-M74 WeakPolarHBondContact O-CB 3.39Å; L71-M74 PolarHBondContact O-N 3.41Å; L71-M74 VanDerWaalsContact O-N 3.15Å; L71-G75 PolarHBondContact O-N 3.37Å; L71-M76 HydrophobicContact CB-CB 4.41Å; L71-M76 HydrophobicContact CD2-CB 4.22Å; L71-M76 HydrophobicContact CD2-SD 4.2Å; L71-M76 PolarHBondContact O-N 3.31Å; L71-L79 HydrophobicContact CD1-CB 4.02Å; L71-L79 HydrophobicContact CD2-CB 4.42Å; L71-L79 HydrophobicContact CD2-CD1 4.29Å; L71-A80 HydrophobicContact CB-CB 4.05Å; L71-L83 HydrophobicContact CD1-CD1 3.59Å
72R88.7Confident86.8Confident128 Ų12850 Ų5048%0.48325%0.249SC..Hα-helixtrans-62.2-43.6173.6-74-177.9-175.9-140.3-2.7112.2M68 T69 V70 M74 G75 A80M68-R72 WeakPolarHBondContact O-CG 3.25Å; M68-R72 PolarHBondContact O-N 3.42Å; T69-R72 PolarHBondContact O-N 3.23Å; V70-R72 PolarHBondContact O-N 3.44Å; R72-M74 PolarHBondContact O-N 3.09Å; R72-G75 PolarHBondContact O-N 2.79Å; R72-A80 HydrophobicContact CG-CB 3.79Å
73E87.8Confident86.8Confident114 Ų11449 Ų4953%0.53325%0.246SC..Hα-helixtrans-61.5-25.1174.5-87.9-76145.200113.5K24 T69 V70K24-E73 HydrophobicContact CD-CB 4.34Å; K24-E73 IonicContact NZ-OE2 3.37Å; K24-E73 PolarHBondContact NZ-OE2 3.28Å; T69-E73 WeakPolarHBondContact O-CB 3.48Å; T69-E73 PolarHBondContact O-N 2.68Å; V70-E73 WeakPolarHBondContact O-CB 3.4Å; V70-E73 PolarHBondContact O-N 3.37Å
74M87.3Confident86.5Confident19 Ų1952.3 Ų52.39%0.09426%0.261CS..Hα-helixtrans-84.9-13.8174.1-73.3174.556.700113.6E17 K20 F21 K24 V70 L71 R72 M76E17-M74 HydrophobicContact CB-CE 3.93Å; E17-M74 HydrophobicContact CG-CE 4.49Å; E17-M74 WeakPolarHBondContact O-CE 3.5Å; K20-M74 HydrophobicContact CB-CE 4.14Å; K20-M74 HydrophobicContact CD-CE 4.41Å; K20-M74 HydrophobicContact CD-CG 4.46Å; K20-M74 HydrophobicContact CG-CE 4.42Å; K20-M74 HydrophobicContact CG-CG 4.36Å; F21-M74 WeakPolarHBondContact CA-SD 3.42Å; F21-M74 HydrophobicContact CB-CE 4.09Å; F21-M74 HydrophobicContact CB-SD 3.48Å; F21-M74 WeakPolarHBondContact CB-SD 3.48Å; F21-M74 HydrophobicContact CD2-SD 3.81Å; F21-M74 HydrophobicContact CG-SD 4.11Å; F21-M74 PolarHBondContact N-SD 2.82Å; K24-M74 HydrophobicContact CG-CG 4.08Å; V70-M74 HydrophobicContact CG1-SD 4.25Å; V70-M74 WeakPolarHBondContact O-CG 3.27Å; V70-M74 PolarHBondContact O-N 2.96Å; L71-M74 WeakPolarHBondContact O-CB 3.39Å; L71-M74 PolarHBondContact O-N 3.41Å; L71-M74 VanDerWaalsContact O-N 3.15Å; R72-M74 PolarHBondContact O-N 3.09Å; M74-M76 HydrophobicContact CB-CG 4.25Å; M74-M76 HydrophobicContact CE-SD 3.85Å
75G84.1Confident86.1Confident58 Ų5855.7 Ų55.760%0.59828%0.282SS*.THydrogen-bonded Turntrans908.2-173.400000114.3L71 R72 Q77L71-G75 PolarHBondContact O-N 3.37Å; R72-G75 PolarHBondContact O-N 2.79Å; G75-Q77 VanDerWaalsContact C-N 3.33Å; G75-Q77 PolarHBondContact O-N 2.9Å; G75-Q77 VanDerWaalsContact O-N 3.13Å
76M85.6Confident85.7Confident35 Ų3553.4 Ų53.417%0.17227%0.274CS..  trans-90.268.8-177.9-58.5-170.58700110.7L13 E17 L71 M74 E78 L79 A80L13-M76 HydrophobicContact CD2-CE 3.36Å; L13-M76 HydrophobicContact CD2-SD 3.15Å; L13-M76 WeakPolarHBondContact CD2-SD 3.37Å; E17-M76 HydrophobicContact CB-SD 4.48Å; E17-M76 HydrophobicContact CG-SD 4.46Å; E17-M76 WeakPolarHBondContact OE1-CE 3.43Å; L71-M76 HydrophobicContact CB-CB 4.41Å; L71-M76 HydrophobicContact CD2-CB 4.22Å; L71-M76 HydrophobicContact CD2-SD 4.2Å; L71-M76 PolarHBondContact O-N 3.31Å; M74-M76 HydrophobicContact CB-CG 4.25Å; M74-M76 HydrophobicContact CE-SD 3.85Å; M76-E78 VanDerWaalsContact C-N 3.33Å; M76-E78 PolarHBondContact O-N 3.26Å; M76-L79 HydrophobicContact CB-CD1 4.44Å; M76-L79 HydrophobicContact CE-CD1 3.46Å; M76-L79 VanDerWaalsContact CE-CD1 3.46Å; M76-L79 HydrophobicContact CE-CG 4.44Å; M76-L79 HydrophobicContact SD-CD1 4.12Å; M76-A80 WeakPolarHBondContact O-CB 3.47Å; M76-A80 PolarHBondContact O-N 3.06Å
77Q85.2Confident84.8Confident134 Ų13455.6 Ų55.663%0.62629%0.285SS*.Hα-helixtrans-64-37.8-177.5-70.3-168.4-14.800112.6G75 L79 A80 E81G75-Q77 VanDerWaalsContact C-N 3.33Å; G75-Q77 PolarHBondContact O-N 2.9Å; G75-Q77 VanDerWaalsContact O-N 3.13Å; Q77-L79 PolarHBondContact O-N 2.94Å; Q77-A80 PolarHBondContact O-N 2.75Å; Q77-E81 WeakPolarHBondContact O-CB 3.47Å; Q77-E81 WeakPolarHBondContact O-CG 3.15Å; Q77-E81 PolarHBondContact O-N 3.38Å
78E84.3Confident83.7Confident146 Ų14661.1 Ų61.168%0.68231%0.311SS*.Hα-helixtrans-61-48.8-177.9-166177.9122.400112.3M76 A80 E81 Q82M76-E78 VanDerWaalsContact C-N 3.33Å; M76-E78 PolarHBondContact O-N 3.26Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.11Å; E78-E81 PolarHBondContact O-N 3.24Å; E78-Q82 WeakPolarHBondContact O-CG 3.48Å; E78-Q82 PolarHBondContact O-N 3.36Å
79L85.4Confident82.5Confident13 Ų1367.6 Ų67.67%0.06834%0.339CS..Hα-helixtrans-65.8-37.8176.3-62.3178.3000112N12 L13 L71 M76 Q77 E81 Q82 L83N12-L79 HydrophobicContact CB-CD1 4.3Å; N12-L79 HydrophobicContact CB-CD2 3.76Å; L13-L79 HydrophobicContact CD2-CD1 3.53Å; L71-L79 HydrophobicContact CD1-CB 4.02Å; L71-L79 HydrophobicContact CD2-CB 4.42Å; L71-L79 HydrophobicContact CD2-CD1 4.29Å; M76-L79 HydrophobicContact CB-CD1 4.44Å; M76-L79 HydrophobicContact CE-CD1 3.46Å; M76-L79 VanDerWaalsContact CE-CD1 3.46Å; M76-L79 HydrophobicContact CE-CG 4.44Å; M76-L79 HydrophobicContact SD-CD1 4.12Å; Q77-L79 PolarHBondContact O-N 2.94Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.99Å; L79-Q82 PolarHBondContact O-N 3.03Å; L79-L83 PolarHBondContact O-N 2.9Å
80A85.8Confident80.8Confident0 Ų068.2 Ų68.20%034%0.337CS..Hα-helixtrans-65-37.6176.200000112M68 L71 R72 M76 Q77 E78 Q84M68-A80 HydrophobicContact CG-CB 3.91Å; L71-A80 HydrophobicContact CB-CB 4.05Å; R72-A80 HydrophobicContact CG-CB 3.79Å; M76-A80 WeakPolarHBondContact O-CB 3.47Å; M76-A80 PolarHBondContact O-N 3.06Å; Q77-A80 PolarHBondContact O-N 2.75Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.11Å; A80-Q84 WeakPolarHBondContact O-CB 3.48Å; A80-Q84 PolarHBondContact O-N 2.74Å
81E84.3Confident78.8Confident111 Ų11172.4 Ų72.452%0.51937%0.367SS..Hα-helixtrans-68.2-41.6174.1-76.3-175.817900111.4Q77 E78 L79 L83 Q84 T85Q77-E81 WeakPolarHBondContact O-CB 3.47Å; Q77-E81 WeakPolarHBondContact O-CG 3.15Å; Q77-E81 PolarHBondContact O-N 3.38Å; E78-E81 PolarHBondContact O-N 3.24Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 2.99Å; E81-L83 PolarHBondContact O-N 2.91Å; E81-Q84 CarbonylContact O-C 3.59Å; E81-Q84 WeakPolarHBondContact O-CA 3.03Å; E81-Q84 WeakPolarHBondContact O-CB 3.06Å; E81-Q84 PolarHBondContact O-N 3.35Å; E81-T85 WeakPolarHBondContact O-CG2 3.41Å; E81-T85 PolarHBondContact O-N 2.98Å
82Q81.9Confident76.4Confident77 Ų7779.7 Ų79.736%0.3640%0.398SS..Hα-helixtrans-56.9-49.4174.2-73.6176.8-8.200111.6E78 L79 Q84 T85 V86E78-Q82 WeakPolarHBondContact O-CG 3.48Å; E78-Q82 PolarHBondContact O-N 3.36Å; L79-Q82 PolarHBondContact O-N 3.03Å; Q82-Q84 VanDerWaalsContact C-N 3.26Å; Q82-Q84 PolarHBondContact O-N 3.09Å; Q82-T85 PolarHBondContact O-N 3.49Å; Q82-T85 VanDerWaalsContact O-N 3.12Å; Q82-T85 PolarHBondContact O-OG1 3.37Å; Q82-V86 PolarHBondContact O-N 3.42Å
83L83.2Confident74Confident3 Ų377 Ų772%0.01640%0.403CS..Hα-helixtrans-56.6-40.1172.6-99.2129.9000112.3I6 A9 M64 T67 M68 L71 L79 E81 V86 I87I6-L83 HydrophobicContact CG1-CD2 4.05Å; A9-L83 HydrophobicContact CB-CD1 3.32Å; A9-L83 HydrophobicContact CB-CG 4.41Å; M64-L83 HydrophobicContact CB-CD2 4.07Å; M64-L83 HydrophobicContact CG-CD2 3.99Å; M64-L83 HydrophobicContact SD-CD2 4.42Å; T67-L83 HydrophobicContact CG2-CD1 4.09Å; M68-L83 HydrophobicContact CE-CB 4.1Å; L71-L83 HydrophobicContact CD1-CD1 3.59Å; L79-L83 PolarHBondContact O-N 2.9Å; E81-L83 PolarHBondContact O-N 2.91Å; L83-V86 PolarHBondContact O-N 3.48Å; L83-I87 WeakPolarHBondContact O-CG1 3.47Å; L83-I87 PolarHBondContact O-N 3.47Å
84Q81.8Confident71.8Confident69 Ų6976.6 Ų76.632%0.32241%0.408SS..Hα-helixtrans-66.6-38.8177.5-172.9164.983.400112.2M68 A80 E81 Q82 V86 I87 Q88M68-Q84 VanDerWaalsContact CE-CA 3.42Å; M68-Q84 HydrophobicContact CE-CB 3.5Å; M68-Q84 HydrophobicContact CE-CG 4.2Å; M68-Q84 HydrophobicContact SD-CB 4.15Å; A80-Q84 WeakPolarHBondContact O-CB 3.48Å; A80-Q84 PolarHBondContact O-N 2.74Å; E81-Q84 CarbonylContact O-C 3.59Å; E81-Q84 WeakPolarHBondContact O-CA 3.03Å; E81-Q84 WeakPolarHBondContact O-CB 3.06Å; E81-Q84 PolarHBondContact O-N 3.35Å; Q82-Q84 VanDerWaalsContact C-N 3.26Å; Q82-Q84 PolarHBondContact O-N 3.09Å; Q84-V86 VanDerWaalsContact C-N 3.27Å; Q84-V86 PolarHBondContact O-N 3.44Å; Q84-I87 PolarHBondContact O-N 2.93Å; Q84-Q88 WeakPolarHBondContact O-CG 3.25Å; Q84-Q88 PolarHBondContact O-N 3.36Å
85T78.6Confident69.4Low81 Ų8177.8 Ų77.850%0.49742%0.421SS..Hα-helixtrans-64.1-34.9174.267.10000111.4E81 Q82 Q88 K89E81-T85 WeakPolarHBondContact O-CG2 3.41Å; E81-T85 PolarHBondContact O-N 2.98Å; Q82-T85 PolarHBondContact O-N 3.49Å; Q82-T85 VanDerWaalsContact O-N 3.12Å; Q82-T85 PolarHBondContact O-OG1 3.37Å; T85-Q88 PolarHBondContact O-N 3.28Å; T85-K89 WeakPolarHBondContact O-CA 3.29Å; T85-K89 WeakPolarHBondContact O-CB 3.38Å; T85-K89 PolarHBondContact O-N 2.94Å
86V77Confident67.1Low44 Ų4481.2 Ų81.227%0.26743%0.43SS..Hα-helixtrans-65.1-46.2173.6178.60000110.7A5 Q82 L83 Q84 Q88 K89 E90A5-V86 HydrophobicContact CB-CB 4.15Å; A5-V86 HydrophobicContact CB-CG1 3.92Å; A5-V86 HydrophobicContact CB-CG2 4.01Å; Q82-V86 PolarHBondContact O-N 3.42Å; L83-V86 PolarHBondContact O-N 3.48Å; Q84-V86 VanDerWaalsContact C-N 3.27Å; Q84-V86 PolarHBondContact O-N 3.44Å; V86-Q88 VanDerWaalsContact C-N 3.33Å; V86-Q88 PolarHBondContact O-N 3Å; V86-K89 CarbonylContact O-C 3.56Å; V86-K89 PolarHBondContact O-N 2.85Å; V86-K89 VanDerWaalsContact O-N 3.11Å; V86-E90 WeakPolarHBondContact O-CB 2.99Å; V86-E90 PolarHBondContact O-N 2.87Å
87I70.3Confident65.1Low49 Ų4983.2 Ų83.225%0.25145%0.453SS..Hα-helixtrans-57.5-45.2174.8-66.1170.2000111.5M64 M68 L83 Q84 K89 S91M64-I87 HydrophobicContact CB-CD1 4.35Å; M64-I87 HydrophobicContact CE-CD1 4.12Å; M64-I87 HydrophobicContact CE-CG1 3.51Å; M64-I87 HydrophobicContact SD-CG1 3.99Å; M68-I87 HydrophobicContact CE-CD1 3.59Å; L83-I87 WeakPolarHBondContact O-CG1 3.47Å; L83-I87 PolarHBondContact O-N 3.47Å; Q84-I87 PolarHBondContact O-N 2.93Å; I87-K89 VanDerWaalsContact C-N 3.35Å; I87-S91 WeakPolarHBondContact O-CB 3.4Å; I87-S91 PolarHBondContact O-N 2.85Å; I87-S91 PolarHBondContact O-OG 2.94Å
88Q66.8Low62.8Low116 Ų11682.1 Ų82.154%0.54246%0.456SS..Hα-helixtrans-68.9-33.5177.5-71.9-175.823.100112.3Q84 T85 V86 S91 K92Q84-Q88 WeakPolarHBondContact O-CG 3.25Å; Q84-Q88 PolarHBondContact O-N 3.36Å; T85-Q88 PolarHBondContact O-N 3.28Å; V86-Q88 VanDerWaalsContact C-N 3.33Å; V86-Q88 PolarHBondContact O-N 3Å; Q88-S91 CarbonylContact O-C 3.52Å; Q88-S91 WeakPolarHBondContact O-CB 3.2Å; Q88-S91 PolarHBondContact O-N 2.91Å; Q88-K92 WeakPolarHBondContact O-CB 3.42Å; Q88-K92 PolarHBondContact O-N 2.97Å
89K63.4Low61Low155 Ų15580.7 Ų80.767%0.67446%0.461SS*.Hα-helixtrans-78-31.9179.2-165.1177.9-175.7-174.50111.5T85 V86 I87 S91 K92 A93T85-K89 WeakPolarHBondContact O-CA 3.29Å; T85-K89 WeakPolarHBondContact O-CB 3.38Å; T85-K89 PolarHBondContact O-N 2.94Å; V86-K89 CarbonylContact O-C 3.56Å; V86-K89 PolarHBondContact O-N 2.85Å; V86-K89 VanDerWaalsContact O-N 3.11Å; I87-K89 VanDerWaalsContact C-N 3.35Å; K89-S91 VanDerWaalsContact C-N 3.31Å; K89-K92 CarbonylContact O-C 3.54Å; K89-K92 PolarHBondContact O-N 3.17Å; K89-K92 VanDerWaalsContact O-N 3.16Å; K89-A93 VanDerWaalsContact O-CB 3.28Å; K89-A93 WeakPolarHBondContact O-CB 3.44Å; K89-A93 PolarHBondContact O-N 2.69Å
90E54.8Low59.3Low81 Ų8183.5 Ų83.538%0.37948%0.479SS..Hα-helixtrans-62.6-42.1165.7-120.7179.49700110.2M1 V86 K92M1-E90 WeakPolarHBondContact CB-OE2 3.03Å; V86-E90 WeakPolarHBondContact O-CB 2.99Å; V86-E90 PolarHBondContact O-N 2.87Å; E90-K92 PolarHBondContact O-N 3.33Å
91S48.1Very low57.4Low88 Ų8887.2 Ų87.262%0.61550%0.503SS*.Hα-helixtrans-66.8-22.5172.9-57.40000113.6I87 Q88 K89I87-S91 WeakPolarHBondContact O-CB 3.4Å; I87-S91 PolarHBondContact O-N 2.85Å; I87-S91 PolarHBondContact O-OG 2.94Å; Q88-S91 CarbonylContact O-C 3.52Å; Q88-S91 WeakPolarHBondContact O-CB 3.2Å; Q88-S91 PolarHBondContact O-N 2.91Å; K89-S91 VanDerWaalsContact C-N 3.31Å
92K40.2Very low55.8Low153 Ų15387.5 Ų87.567%0.66552%0.518SS*.Hα-helixtrans-105.6-20.8-174.4-164.5174.4-176.21800114.2Q88 K89 E90 A95Q88-K92 WeakPolarHBondContact O-CB 3.42Å; Q88-K92 PolarHBondContact O-N 2.97Å; K89-K92 CarbonylContact O-C 3.54Å; K89-K92 PolarHBondContact O-N 3.17Å; K89-K92 VanDerWaalsContact O-N 3.16Å; E90-K92 PolarHBondContact O-N 3.33Å; K92-A95 HydrophobicContact CG-CB 4.35Å; K92-A95 WeakPolarHBondContact O-CA 3.36Å; K92-A95 VanDerWaalsContact O-CB 3.24Å; K92-A95 WeakPolarHBondContact O-CB 3.47Å; K92-A95 PolarHBondContact O-N 3.49Å
93A37.5Very low54.2Low71 Ų7190.4 Ų90.459%0.58753%0.531SS*.Hα-helixtrans-71.8-24.4170.700000111.2K89 A95K89-A93 VanDerWaalsContact O-CB 3.28Å; K89-A93 WeakPolarHBondContact O-CB 3.44Å; K89-A93 PolarHBondContact O-N 2.69Å; A93-A95 PolarHBondContact O-N 3.41Å
94V41.7Very low52.7Low105 Ų10598 Ų9864%0.63656%0.559SS**THydrogen-bonded Turntrans-88.231.4161.8-166.20000110.9
95A37.7Very low51.2Low44 Ų4496 Ų9636%0.36455%0.554SS.*THydrogen-bonded Turntrans-130.4-4.1174.500000113.7K92 A93K92-A95 HydrophobicContact CG-CB 4.35Å; K92-A95 WeakPolarHBondContact O-CA 3.36Å; K92-A95 VanDerWaalsContact O-CB 3.24Å; K92-A95 WeakPolarHBondContact O-CB 3.47Å; K92-A95 PolarHBondContact O-N 3.49Å; A93-A95 PolarHBondContact O-N 3.41Å
96T35.6Very low50.1Low130 Ų13094.3 Ų94.380%0.79855%0.549SS*.SBendtrans-96.5-1.2173.643.10000114.2
97A42.6Very low49.2Very low78 Ų7897.7 Ų97.765%0.64556%0.562SS**SBendtrans-129.8107.8157.900000107.8
98T37.6Very low48.9Very low111 Ų11195.9 Ų95.968%0.68155%0.553SS**  trans85.692.4177.1-40.20000116.2V100T98-V100 VanDerWaalsContact C-N 3.34Å; T98-V100 HydrophobicContact CG2-CG2 4.43Å; T98-V100 PolarHBondContact O-N 2.84Å
99S46.9Very low49Very low115 Ų11591 Ų9180%0.80453%0.533SS*.SBendtrans-64.771.5169.6-40.20000113.7
100V49Very low49.3Very low72 Ų7290.1 Ų90.144%0.43653%0.531SS..  trans-175.399.4157.4-109.30000111.3T98T98-V100 VanDerWaalsContact C-N 3.34Å; T98-V100 HydrophobicContact CG2-CG2 4.43Å; T98-V100 PolarHBondContact O-N 2.84Å
101P45.9Very low50.3Low79 Ų7988 Ų8851%0.51352%0.52SS..  trans-132.6-14.5147.78.213.8000116.3Q103 R104 A105P101-Q103 VanDerWaalsContact C-N 3.32Å; P101-Q103 PolarHBondContact O-N 2.74Å; P101-R104 PolarHBondContact O-N 3.06Å; P101-A105 PolarHBondContact O-N 3.49Å
102S50.4Low51.7Low117 Ų11783.9 Ų83.982%0.81849%0.491SS*.THydrogen-bonded Turntrans-71.8-20.4-171-122.10000115
103Q49.8Very low53.4Low137 Ų13779.7 Ų79.764%0.6448%0.476SS*.THydrogen-bonded Turntrans-91.4-37.8174.1-65.3179.9-81.100112.2P101 A105 A106 E107P101-Q103 VanDerWaalsContact C-N 3.32Å; P101-Q103 PolarHBondContact O-N 2.74Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.46Å; Q103-A106 PolarHBondContact O-N 3.03Å; Q103-E107 WeakPolarHBondContact O-CB 3.19Å; Q103-E107 WeakPolarHBondContact O-CG 3.07Å; Q103-E107 PolarHBondContact O-N 3.31Å
104R50.1Low55.5Low163 Ų16385.3 Ų85.362%0.61548%0.482SS*.Hα-helixtrans-62.1-38.1-177.5-81.5-176.7176.2178.6-0.4113.2P101 E107 T108P101-R104 PolarHBondContact O-N 3.06Å; R104-E107 CarbonylContact O-C 3.53Å; R104-E107 WeakPolarHBondContact O-CB 3.43Å; R104-E107 PolarHBondContact O-N 3.41Å; R104-T108 PolarHBondContact O-N 3.17Å; R104-T108 PolarHBondContact O-OG1 3.4Å
105A51.1Low57.3Low26 Ų2681 Ų8122%0.21546%0.455CS..Hα-helixtrans-71.8-36.6-17700000112.8P101 Q103 T108 A109 L168P101-A105 PolarHBondContact O-N 3.49Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.46Å; A105-T108 VanDerWaalsContact CA-OG1 3.25Å; A105-T108 WeakPolarHBondContact CA-OG1 3.36Å; A105-T108 PolarHBondContact O-OG1 3.17Å; A105-A109 PolarHBondContact O-N 3.29Å; A105-A109 VanDerWaalsContact O-N 3.13Å; A105-L168 HydrophobicContact CB-CD2 3.44Å; A105-L168 VanDerWaalsContact CB-CD2 3.44Å; A105-L168 HydrophobicContact CB-CG 4.15Å
106A55.3Low59.3Low46 Ų4685.2 Ų85.238%0.3846%0.462SS..Hα-helixtrans-68.8-41.6170.300000110.8Q103 T108 A109 H110Q103-A106 PolarHBondContact O-N 3.03Å; A106-T108 VanDerWaalsContact C-N 3.33Å; A106-T108 PolarHBondContact O-N 2.86Å; A106-A109 PolarHBondContact O-N 3.11Å; A106-H110 WeakPolarHBondContact O-CB 3.5Å; A106-H110 PolarHBondContact O-CD2 2.76Å; A106-H110 PolarHBondContact O-N 3.34Å
107E58.6Low61.3Low115 Ų11585.8 Ų85.854%0.53746%0.455SS..Hα-helixtrans-60.8-39173.9-72.5167.4177.400112Q103 R104 H110 F111Q103-E107 WeakPolarHBondContact O-CB 3.19Å; Q103-E107 WeakPolarHBondContact O-CG 3.07Å; Q103-E107 PolarHBondContact O-N 3.31Å; R104-E107 CarbonylContact O-C 3.53Å; R104-E107 WeakPolarHBondContact O-CB 3.43Å; R104-E107 PolarHBondContact O-N 3.41Å; E107-H110 PolarHBondContact O-N 3.41Å; E107-F111 WeakPolarHBondContact O-CA 2.97Å; E107-F111 WeakPolarHBondContact O-CB 3.39Å; E107-F111 PolarHBondContact O-N 3.31Å
108T64.1Low63.2Low11 Ų1183.5 Ų83.57%0.06744%0.436CS..Hα-helixtrans-66.9-45.6177.7-1.40000111.7R104 A105 A106 F111 I112 L175R104-T108 PolarHBondContact O-N 3.17Å; R104-T108 PolarHBondContact O-OG1 3.4Å; A105-T108 VanDerWaalsContact CA-OG1 3.25Å; A105-T108 WeakPolarHBondContact CA-OG1 3.36Å; A105-T108 PolarHBondContact O-OG1 3.17Å; A106-T108 VanDerWaalsContact C-N 3.33Å; A106-T108 PolarHBondContact O-N 2.86Å; T108-F111 PolarHBondContact O-N 3.48Å; T108-I112 WeakPolarHBondContact O-CG1 3.25Å; T108-I112 PolarHBondContact O-N 2.91Å; T108-L175 HydrophobicContact CG2-CB 3.78Å; T108-L175 HydrophobicContact CG2-CD1 3.94Å; T108-L175 HydrophobicContact CG2-CD2 3.43Å; T108-L175 VanDerWaalsContact CG2-CD2 3.43Å; T108-L175 HydrophobicContact CG2-CG 3.87Å
109A68Low65.2Low14 Ų1478.3 Ų78.312%0.11641%0.405CS..Hα-helixtrans-60.4-48.1176.800000110.6A105 A106 F111 I112 D113 K171A105-A109 PolarHBondContact O-N 3.29Å; A105-A109 VanDerWaalsContact O-N 3.13Å; A106-A109 PolarHBondContact O-N 3.11Å; A109-F111 VanDerWaalsContact C-N 3.34Å; A109-F111 PolarHBondContact O-N 2.94Å; A109-I112 PolarHBondContact O-N 2.88Å; A109-D113 WeakPolarHBondContact O-CB 3.45Å; A109-D113 PolarHBondContact O-N 3.39Å; A109-K171 HydrophobicContact CB-CD 3.85Å
110H71.1Confident66.9Low137 Ų13773.9 Ų73.963%0.63437%0.371SS*.Hα-helixtrans-65.9-35.2177.3-73.5-56.7000112.9A106 E107 R114A106-H110 WeakPolarHBondContact O-CB 3.5Å; A106-H110 PolarHBondContact O-CD2 2.76Å; A106-H110 PolarHBondContact O-N 3.34Å; E107-H110 PolarHBondContact O-N 3.41Å; H110-R114 WeakPolarHBondContact O-CB 3.21Å; H110-R114 PolarHBondContact O-N 3.44Å
111F75.8Confident68.3Low36 Ų3674.3 Ų74.316%0.15838%0.382CS..Hα-helixtrans-65.5-48.9177.7-175.9-94.9000111.2E107 T108 A109 R114 H115 L175 L189 E190E107-F111 WeakPolarHBondContact O-CA 2.97Å; E107-F111 WeakPolarHBondContact O-CB 3.39Å; E107-F111 PolarHBondContact O-N 3.31Å; T108-F111 PolarHBondContact O-N 3.48Å; A109-F111 VanDerWaalsContact C-N 3.34Å; A109-F111 PolarHBondContact O-N 2.94Å; F111-R114 PolarHBondContact O-N 2.81Å; F111-H115 AromaticContact CD2-CD2 3.44Å; F111-H115 VanDerWaalsContact CD2-CD2 3.44Å; F111-H115 WeakPolarHBondContact CD2-CD2 3.28Å; F111-H115 AromaticContact CD2-NE2 3.71Å; F111-H115 AromaticContact CE2-CD2 3.51Å; F111-H115 AromaticContact CE2-NE2 3.63Å; F111-H115 AromaticContact CG-CD2 3.85Å; F111-H115 WeakPolarHBondContact O-CB 3.47Å; F111-H115 PolarHBondContact O-CD2 3.35Å; F111-H115 PolarHBondContact O-N 3.39Å; F111-L175 HydrophobicContact CD1-CD1 3.54Å; F111-L175 HydrophobicContact CE1-CD1 3.88Å; F111-L189 HydrophobicContact CE1-CB 4.23Å; F111-L189 HydrophobicContact CE2-CB 4.27Å; F111-L189 HydrophobicContact CZ-CB 3.51Å; F111-E190 HydrophobicContact CE2-CB 4.45Å; F111-E190 HydrophobicContact CE2-CG 3.84Å; F111-E190 HydrophobicContact CZ-CG 3.82Å
112I76.3Confident69.9Low1 Ų176.9 Ų76.91%0.00538%0.382CS..Hα-helixtrans-64.3-44.9179.3-67.8162.5000110.9T108 A109 R116 L119 F160 K171 F174 L175T108-I112 WeakPolarHBondContact O-CG1 3.25Å; T108-I112 PolarHBondContact O-N 2.91Å; A109-I112 PolarHBondContact O-N 2.88Å; I112-R116 WeakPolarHBondContact O-CA 3.24Å; I112-R116 PolarHBondContact O-N 2.95Å; I112-L119 HydrophobicContact CG2-CD1 4.47Å; I112-F160 HydrophobicContact CG2-CE1 3.44Å; I112-F160 VanDerWaalsContact CG2-CE1 3.44Å; I112-F160 HydrophobicContact CG2-CZ 3.88Å; I112-K171 HydrophobicContact CD1-CB 3.85Å; I112-K171 HydrophobicContact CD1-CG 4.5Å; I112-K171 WeakPolarHBondContact CD1-O 3.39Å; I112-F174 HydrophobicContact CD1-CD1 3.92Å; I112-F174 HydrophobicContact CG1-CD1 4.19Å; I112-F174 HydrophobicContact CG2-CD1 4.12Å; I112-F174 HydrophobicContact CG2-CE1 4.12Å; I112-L175 HydrophobicContact CD1-CB 4.21Å; I112-L175 HydrophobicContact CD1-CD1 4.27Å; I112-L175 HydrophobicContact CG1-CD1 4Å
113D76.1Confident71.2Confident65 Ų6571.6 Ų71.635%0.34835%0.345SS..Hα-helixtrans-66.8-39.6178.6-86.2-77.5000112.2A109 R116 K171A109-D113 WeakPolarHBondContact O-CB 3.45Å; A109-D113 PolarHBondContact O-N 3.39Å; D113-R116 WeakPolarHBondContact O-CG 3.43Å; D113-K171 IonicContact OD2-NZ 2.71Å; D113-K171 PolarHBondContact OD2-NZ 3.13Å
114R81.4Confident72.3Confident189 Ų18970.2 Ų70.271%0.71335%0.346SS*.Hα-helixtrans-67.1-44.6176.6-179.6176.7178.5173.4-6.1112H110 F111 R116H110-R114 WeakPolarHBondContact O-CB 3.21Å; H110-R114 PolarHBondContact O-N 3.44Å; F111-R114 PolarHBondContact O-N 2.81Å; R114-R116 VanDerWaalsContact C-N 3.35Å
115H80.3Confident73.5Confident16 Ų1665.7 Ų65.77%0.07433%0.334CS..THydrogen-bonded Turntrans-93.211.3-176.8-63.2-79.9000113.4F111 Q117 A118 L119 L189F111-H115 AromaticContact CD2-CD2 3.44Å; F111-H115 VanDerWaalsContact CD2-CD2 3.44Å; F111-H115 WeakPolarHBondContact CD2-CD2 3.28Å; F111-H115 AromaticContact CD2-NE2 3.71Å; F111-H115 AromaticContact CE2-CD2 3.51Å; F111-H115 AromaticContact CE2-NE2 3.63Å; F111-H115 AromaticContact CG-CD2 3.85Å; F111-H115 WeakPolarHBondContact O-CB 3.47Å; F111-H115 PolarHBondContact O-CD2 3.35Å; F111-H115 PolarHBondContact O-N 3.39Å; H115-Q117 VanDerWaalsContact C-N 3.26Å; H115-Q117 PolarHBondContact O-N 3.41Å; H115-Q117 VanDerWaalsContact O-N 3.11Å; H115-A118 PolarHBondContact O-N 3.16Å; H115-L119 HydrophobicContact CB-CD1 4.43Å; H115-L119 HydrophobicContact CB-CG 4.49Å; H115-L119 WeakPolarHBondContact O-CG 3.42Å; H115-L119 PolarHBondContact O-N 3.25Å; H115-L189 HydrophobicContact CB-CD1 4.35Å; H115-L189 HydrophobicContact CB-CD2 4.12Å; H115-L189 PolarHBondContact CE1-O 3.45Å
116R80.4Confident74.7Confident132 Ų13264.6 Ų64.650%0.49832%0.324SS..Hα-helixtrans-48.4-44.4-177.976.1-176.6-1711711.2113.4I112 D113 R114 L119 I120I112-R116 WeakPolarHBondContact O-CA 3.24Å; I112-R116 PolarHBondContact O-N 2.95Å; D113-R116 WeakPolarHBondContact O-CG 3.43Å; R114-R116 VanDerWaalsContact C-N 3.35Å; R116-L119 PolarHBondContact O-N 3.34Å; R116-I120 WeakPolarHBondContact O-CB 3.37Å; R116-I120 VanDerWaalsContact O-CD1 3.27Å; R116-I120 WeakPolarHBondContact O-CD1 3.49Å; R116-I120 WeakPolarHBondContact O-CG1 3.35Å; R116-I120 PolarHBondContact O-N 3.4Å
117Q76.7Confident75.7Confident142 Ų14265.3 Ų65.366%0.66432%0.32SS*.Hα-helixtrans-70.9-39.4-176.7-77.1-172.2-16.300111.8H115 I120 A121H115-Q117 VanDerWaalsContact C-N 3.26Å; H115-Q117 PolarHBondContact O-N 3.41Å; H115-Q117 VanDerWaalsContact O-N 3.11Å; Q117-I120 PolarHBondContact O-N 3.27Å; Q117-A121 WeakPolarHBondContact O-CB 3.45Å; Q117-A121 PolarHBondContact O-N 3.32Å
118A81.4Confident76.6Confident30 Ų3060.5 Ų60.525%0.24830%0.301CS..Hα-helixtrans-69.6-37.9178.400000110.9H115 A121 R122 L189H115-A118 PolarHBondContact O-N 3.16Å; A118-A121 PolarHBondContact O-N 2.94Å; A118-R122 VanDerWaalsContact O-CB 3.25Å; A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 WeakPolarHBondContact O-CG 3.33Å; A118-R122 PolarHBondContact O-N 2.74Å; A118-L189 HydrophobicContact CB-CD2 3.43Å; A118-L189 VanDerWaalsContact CB-CD2 3.43Å
119L81.4Confident77.3Confident2 Ų260.1 Ų60.11%0.0130%0.299CS..Hα-helixtrans-62.8-48.8171.4-69.1168.7000111.3I112 H115 R116 A121 R122 V123 M156 F160 F174 L178 L185 L189I112-L119 HydrophobicContact CG2-CD1 4.47Å; H115-L119 HydrophobicContact CB-CD1 4.43Å; H115-L119 HydrophobicContact CB-CG 4.49Å; H115-L119 WeakPolarHBondContact O-CG 3.42Å; H115-L119 PolarHBondContact O-N 3.25Å; R116-L119 PolarHBondContact O-N 3.34Å; L119-A121 VanDerWaalsContact C-N 3.26Å; L119-A121 PolarHBondContact O-N 3.42Å; L119-R122 PolarHBondContact O-N 2.85Å; L119-V123 HydrophobicContact CB-CG2 4.44Å; L119-V123 HydrophobicContact CD2-CG2 4.26Å; L119-V123 WeakPolarHBondContact O-CB 3.28Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 2.72Å; L119-M156 HydrophobicContact CB-CE 3.95Å; L119-F160 HydrophobicContact CD1-CZ 4.46Å; L119-F174 HydrophobicContact CD1-CE1 4.31Å; L119-L178 HydrophobicContact CD1-CD1 4.44Å; L119-L178 HydrophobicContact CD2-CD1 3.79Å; L119-L178 HydrophobicContact CD2-CD2 3.53Å; L119-L178 HydrophobicContact CD2-CG 4.33Å; L119-L185 HydrophobicContact CD2-CD2 3.99Å; L119-L189 HydrophobicContact CD2-CD1 3.38Å; L119-L189 HydrophobicContact CG-CD1 3.82Å
120I81.4Confident77.9Confident21 Ų2159.5 Ų59.511%0.10829%0.294CS..Hα-helixtrans-57.9-38.8177.2-71.2160.6000111.9R116 Q117 P153 M156 F160R116-I120 WeakPolarHBondContact O-CB 3.37Å; R116-I120 VanDerWaalsContact O-CD1 3.27Å; R116-I120 WeakPolarHBondContact O-CD1 3.49Å; R116-I120 WeakPolarHBondContact O-CG1 3.35Å; R116-I120 PolarHBondContact O-N 3.4Å; Q117-I120 PolarHBondContact O-N 3.27Å; I120-P153 HydrophobicContact CG2-CB 3.66Å; I120-P153 WeakPolarHBondContact CG2-O 3.41Å; I120-M156 HydrophobicContact CB-CB 4.39Å; I120-M156 HydrophobicContact CG1-CB 3.82Å; I120-F160 HydrophobicContact CD1-CD2 4.08Å; I120-F160 HydrophobicContact CG1-CD2 3.99Å; I120-F160 HydrophobicContact CG1-CE2 4.14Å
121A78.3Confident78.4Confident81 Ų8158.1 Ų58.167%0.66929%0.291SS*.Hα-helixtrans-82.3-31.9-175.700000114Q117 A118 L119Q117-A121 WeakPolarHBondContact O-CB 3.45Å; Q117-A121 PolarHBondContact O-N 3.32Å; A118-A121 PolarHBondContact O-N 2.94Å; L119-A121 VanDerWaalsContact C-N 3.26Å; L119-A121 PolarHBondContact O-N 3.42Å
122R79.3Confident78.5Confident134 Ų13458.6 Ų58.651%0.50630%0.301SS..Hα-helixtrans-110.2-12.8-169-60.7-178.6114.4175.8-1.8114.3A118 L119 T124 L185 D188A118-R122 VanDerWaalsContact O-CB 3.25Å; A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 WeakPolarHBondContact O-CG 3.33Å; A118-R122 PolarHBondContact O-N 2.74Å; L119-R122 PolarHBondContact O-N 2.85Å; R122-T124 PolarHBondContact O-N 3.25Å; R122-L185 HydrophobicContact CB-CD1 3.38Å; R122-L185 HydrophobicContact CB-CD2 4.4Å; R122-L185 HydrophobicContact CG-CD1 4.26Å; R122-D188 IonicContact CZ-OD1 2.74Å; R122-D188 IonicContact NH1-OD1 3.58Å; R122-D188 PolarHBondContact NH1-OD1 3.44Å
123V78.3Confident78.6Confident5 Ų558.6 Ų58.63%0.0330%0.301CS..  trans-75.2109.3172.1175.30000109L119 I126 L129 M156 L178 L182 L185L119-V123 HydrophobicContact CB-CG2 4.44Å; L119-V123 HydrophobicContact CD2-CG2 4.26Å; L119-V123 WeakPolarHBondContact O-CB 3.28Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 2.72Å; V123-I126 HydrophobicContact CB-CG1 4.43Å; V123-I126 HydrophobicContact CG1-CG1 3.62Å; V123-L129 HydrophobicContact CG1-CD1 3.52Å; V123-M156 HydrophobicContact CB-CE 3.83Å; V123-M156 HydrophobicContact CG1-CE 4.13Å; V123-M156 HydrophobicContact CG2-CE 3.67Å; V123-L178 HydrophobicContact CG2-CD2 4.05Å; V123-L182 HydrophobicContact CB-CD1 4.21Å; V123-L182 HydrophobicContact CG1-CD1 3.91Å; V123-L182 HydrophobicContact CG2-CD1 3.91Å; V123-L185 HydrophobicContact CG2-CD2 3.55Å
124T72.6Confident78.5Confident109 Ų10960.4 Ų60.467%0.66930%0.304SS*.  trans-89.1-31.417730.60000112.9R122 N152R122-T124 PolarHBondContact O-N 3.25Å; T124-N152 PolarHBondContact O-ND2 3.36Å
125D75.6Confident77.8Confident67 Ų6754.6 Ų54.636%0.35830%0.303SS..  trans-104.580.5178.3-173.419.8000111.7G128D125-G128 PolarHBondContact OD1-N 3.49Å; D125-G128 VanDerWaalsContact OD1-N 3.11Å
126I76Confident77Confident4 Ų458.6 Ų58.62%0.02133%0.332CS..Hα-helixtrans-81.5-30.4176.1-74.9169.2000111.7V123 L129 L130 N152 K155 M156V123-I126 HydrophobicContact CB-CG1 4.43Å; V123-I126 HydrophobicContact CG1-CG1 3.62Å; I126-L129 PolarHBondContact O-N 2.9Å; I126-L130 HydrophobicContact CG2-CD1 3.55Å; I126-L130 HydrophobicContact CG2-CG 3.96Å; I126-L130 VanDerWaalsContact O-CB 3.3Å; I126-L130 WeakPolarHBondContact O-CB 3.03Å; I126-L130 WeakPolarHBondContact O-CG 3.43Å; I126-L130 PolarHBondContact O-N 3.13Å; I126-N152 HydrophobicContact CD1-CB 3.68Å; I126-N152 WeakPolarHBondContact CD1-O 3.1Å; I126-K155 HydrophobicContact CD1-CB 4.43Å; I126-K155 HydrophobicContact CG2-CB 4.08Å; I126-K155 HydrophobicContact CG2-CD 4.28Å; I126-M156 HydrophobicContact CD1-CB 3.98Å; I126-M156 HydrophobicContact CD1-CG 3.23Å; I126-M156 HydrophobicContact CG1-CG 3.57Å
127E76.1Confident76.2Confident60 Ų6053.4 Ų53.428%0.2832%0.315SS..Hα-helixtrans-66-41.2-178.2-61.6-73.9129.600110.3L129 L130 D131 R147 K155E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.22Å; E127-L130 PolarHBondContact O-N 2.94Å; E127-D131 WeakPolarHBondContact O-CB 3.41Å; E127-D131 PolarHBondContact O-N 3.22Å; E127-R147 IonicContact OE2-CZ 2.69Å; E127-R147 IonicContact OE2-NE 2.74Å; E127-R147 PolarHBondContact OE2-NE 2.98Å; E127-R147 VanDerWaalsContact OE2-NE 3.15Å; E127-R147 IonicContact OE2-NH2 3.48Å; E127-K155 IonicContact OE1-NZ 3.65Å; E127-K155 PolarHBondContact OE1-NZ 2.79Å
128G78.4Confident76Confident15 Ų1546.9 Ų46.916%0.15528%0.284CS..Hα-helixtrans-65.8-30.3174.500000114.2D125 A132D125-G128 PolarHBondContact OD1-N 3.49Å; D125-G128 VanDerWaalsContact OD1-N 3.11Å; G128-A132 PolarHBondContact O-N 2.83Å
129L79.4Confident75.8Confident3 Ų349.6 Ų49.62%0.01630%0.298CS..Hα-helixtrans-76-41.8173.1-71.9170.9000111.7V123 I126 E127 D131 A132 L133 F174 A177 L178V123-L129 HydrophobicContact CG1-CD1 3.52Å; I126-L129 PolarHBondContact O-N 2.9Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.22Å; L129-D131 VanDerWaalsContact C-N 3.31Å; L129-D131 PolarHBondContact O-N 2.92Å; L129-A132 PolarHBondContact O-N 3.45Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CD1 3.4Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 3.44Å; L129-F174 HydrophobicContact CD1-CE2 4.28Å; L129-A177 HydrophobicContact CD2-CB 3.56Å; L129-L178 HydrophobicContact CD1-CG 4.35Å; L129-L178 HydrophobicContact CD2-CG 4.32Å
130L79Confident75.7Confident1 Ų153.4 Ų53.41%0.00532%0.318CS..Hα-helixtrans-60-42.7175.3-88168.2000111.1I126 E127 L133 Y134 L138 Y143 V146 L159I126-L130 HydrophobicContact CG2-CD1 3.55Å; I126-L130 HydrophobicContact CG2-CG 3.96Å; I126-L130 VanDerWaalsContact O-CB 3.3Å; I126-L130 WeakPolarHBondContact O-CB 3.03Å; I126-L130 WeakPolarHBondContact O-CG 3.43Å; I126-L130 PolarHBondContact O-N 3.13Å; E127-L130 PolarHBondContact O-N 2.94Å; L130-L133 CarbonylContact O-C 3.52Å; L130-L133 PolarHBondContact O-N 3.44Å; L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 2.85Å; L130-L138 HydrophobicContact CD2-CD1 3.97Å; L130-Y143 HydrophobicContact CB-CD2 4.16Å; L130-Y143 HydrophobicContact CB-CE2 3.71Å; L130-Y143 HydrophobicContact CD2-CD2 4.13Å; L130-Y143 HydrophobicContact CD2-CE2 4.48Å; L130-V146 HydrophobicContact CD1-CG1 4.03Å; L130-V146 HydrophobicContact CD2-CB 4.16Å; L130-V146 HydrophobicContact CD2-CG1 3.82Å; L130-V146 HydrophobicContact CG-CG1 4.45Å; L130-L159 HydrophobicContact CD2-CD1 3.46Å; L130-L159 VanDerWaalsContact CD2-CD1 3.46Å; L130-L159 HydrophobicContact CG-CD1 4.35Å
131D82.3Confident75.6Confident107 Ų10758.1 Ų58.157%0.57234%0.344SS*.Hα-helixtrans-64.6-41.5177.8-161.8-106.5000111.8E127 L129 L133 Y134E127-D131 WeakPolarHBondContact O-CB 3.41Å; E127-D131 PolarHBondContact O-N 3.22Å; L129-D131 VanDerWaalsContact C-N 3.31Å; L129-D131 PolarHBondContact O-N 2.92Å; D131-L133 VanDerWaalsContact C-N 3.28Å; D131-L133 PolarHBondContact O-N 3.37Å; D131-Y134 WeakPolarHBondContact O-CB 3.33Å; D131-Y134 PolarHBondContact O-N 2.92Å
132A78.2Confident75.7Confident46 Ų4656.4 Ų56.438%0.3832%0.322SS..Hα-helixtrans-68-26.8174.800000113.4G128 L129 A177G128-A132 PolarHBondContact O-N 2.83Å; L129-A132 PolarHBondContact O-N 3.45Å; A132-A177 HydrophobicContact CB-CB 4.13Å
133L77.3Confident75.9Confident1 Ų151.2 Ų51.21%0.00530%0.302CS..Hα-helixtrans-90.3-14.9177-67.5166.9000112.9L129 L130 D131 C136 V137 L138 L159 W166 L173 F174L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CD1 3.4Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 3.44Å; L130-L133 CarbonylContact O-C 3.52Å; L130-L133 PolarHBondContact O-N 3.44Å; D131-L133 VanDerWaalsContact C-N 3.28Å; D131-L133 PolarHBondContact O-N 3.37Å; L133-C136 PolarHBondContact O-N 3.09Å; L133-V137 HydrophobicContact CB-CB 4.36Å; L133-V137 HydrophobicContact CD2-CB 4.17Å; L133-V137 HydrophobicContact CD2-CG2 3.7Å; L133-V137 PolarHBondContact O-N 2.89Å; L133-L138 HydrophobicContact CB-CD1 3.7Å; L133-L138 HydrophobicContact CD1-CD1 4.47Å; L133-L138 PolarHBondContact O-N 3.33Å; L133-L159 HydrophobicContact CD1-CD1 4.47Å; L133-L159 HydrophobicContact CD1-CD2 4.37Å; L133-W166 HydrophobicContact CD1-CH2 4.48Å; L133-W166 HydrophobicContact CD1-CZ2 4.45Å; L133-L173 HydrophobicContact CD2-CD2 4.45Å; L133-F174 HydrophobicContact CD1-CD2 3.52Å; L133-F174 HydrophobicContact CD1-CE2 4.06Å; L133-F174 HydrophobicContact CD2-CB 4.12Å; L133-F174 HydrophobicContact CD2-CD2 4.34Å; L133-F174 HydrophobicContact CG-CD2 4.38Å
134Y75.3Confident76Confident103 Ų10356.3 Ų56.340%0.40433%0.326SS..BIsolated β-bridgetrans-67.8129.8179.8-178.7-104.8000110.5L130 D131 C136 D140 Y143L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 2.85Å; D131-Y134 WeakPolarHBondContact O-CB 3.33Å; D131-Y134 PolarHBondContact O-N 2.92Å; Y134-C136 PolarHBondContact O-N 3.44Å; Y134-D140 HydrophobicContact CE2-CB 4.37Å; Y134-D140 PolarHBondContact OH-OD2 3.37Å; Y134-D140 VanDerWaalsContact OH-OD2 3.06Å; Y134-Y143 HydrophobicContact CD2-CD1 4.02Å; Y134-Y143 AromaticContact CD2-CD2 3.47Å; Y134-Y143 HydrophobicContact CD2-CD2 3.47Å; Y134-Y143 VanDerWaalsContact CD2-CD2 3.47Å; Y134-Y143 HydrophobicContact CD2-CE2 4.07Å; Y134-Y143 AromaticContact CD2-CG 3.43Å; Y134-Y143 HydrophobicContact CD2-CG 3.43Å; Y134-Y143 VanDerWaalsContact CD2-CG 3.43Å; Y134-Y143 HydrophobicContact CE2-CD1 4.08Å; Y134-Y143 HydrophobicContact CE2-CD2 4.34Å; Y134-Y143 AromaticContact CE2-CG 3.87Å; Y134-Y143 HydrophobicContact CE2-CG 3.87Å; Y134-Y143 HydrophobicContact CG-CD2 4.06Å; Y134-Y143 HydrophobicContact CG-CE2 4.31Å; Y134-Y143 HydrophobicContact CG-CG 4.41Å
135G66.5Low76.6Confident67 Ų6752.8 Ų52.869%0.69131%0.308SS*.THydrogen-bonded Turntrans82.8-16.418000000115.5L138G135-L138 PolarHBondContact N-O 2.87Å
136C62.9Low76.9Confident100 Ų10049.6 Ų49.668%0.67629%0.291SS*.THydrogen-bonded Turntrans-102.2-46.2169.4-89.80000112.7L133 Y134 L173L133-C136 PolarHBondContact O-N 3.09Å; Y134-C136 PolarHBondContact O-N 3.44Å; C136-L173 HydrophobicContact CB-CD2 4.09Å
137V64.8Low77.2Confident23 Ų2355.8 Ų55.814%0.13931%0.314CS..THydrogen-bonded Turntrans-114.8-34.8-171.6-175.70000111.9L133 W166 C170L133-V137 HydrophobicContact CB-CB 4.36Å; L133-V137 HydrophobicContact CD2-CB 4.17Å; L133-V137 HydrophobicContact CD2-CG2 3.7Å; L133-V137 PolarHBondContact O-N 2.89Å; V137-W166 HydrophobicContact CG1-CD2 4.43Å; V137-W166 HydrophobicContact CG1-CG 4.25Å; V137-W166 HydrophobicContact CG1-CZ2 4.49Å; V137-C170 HydrophobicContact CB-CB 4.27Å; V137-C170 HydrophobicContact CG1-CB 3.72Å; V137-C170 HydrophobicContact CG2-CB 3.57Å
138L71.1Confident77.6Confident5 Ų556.9 Ų56.93%0.02633%0.333CS..BIsolated β-bridgetrans-112.8132.3-177.9-67.1136000110.2L130 L133 G135 Q142 V146 L159L130-L138 HydrophobicContact CD2-CD1 3.97Å; L133-L138 HydrophobicContact CB-CD1 3.7Å; L133-L138 HydrophobicContact CD1-CD1 4.47Å; L133-L138 PolarHBondContact O-N 3.33Å; G135-L138 PolarHBondContact N-O 2.87Å; L138-Q142 HydrophobicContact CB-CB 4.43Å; L138-Q142 HydrophobicContact CD2-CB 3.72Å; L138-V146 HydrophobicContact CD2-CG2 4.42Å; L138-L159 HydrophobicContact CD1-CD1 3.71Å; L138-L159 HydrophobicContact CD2-CD1 4.25Å
139T77.3Confident77.9Confident88 Ų8858.8 Ų58.854%0.5434%0.338SS..  trans-72.8162.6164.453.40000110.3D141 Q142 Y143T139-D141 PolarHBondContact O-N 2.75Å; T139-Q142 PolarHBondContact O-N 3.11Å; T139-Q142 VanDerWaalsContact O-N 3.09Å; T139-Y143 WeakPolarHBondContact O-CB 3.08Å; T139-Y143 PolarHBondContact O-N 3.2Å
140D79.1Confident77.8Confident82 Ų8264.8 Ų64.844%0.43938%0.375SS..Hα-helixtrans-53.7-42.3179.2-174-110.2000112.8Y134 Y143 Q144Y134-D140 HydrophobicContact CE2-CB 4.37Å; Y134-D140 PolarHBondContact OH-OD2 3.37Å; Y134-D140 VanDerWaalsContact OH-OD2 3.06Å; D140-Y143 PolarHBondContact O-N 2.92Å; D140-Q144 WeakPolarHBondContact O-CB 3.34Å; D140-Q144 PolarHBondContact O-N 2.88Å
141D80.6Confident77.9Confident119 Ų11967.4 Ų67.464%0.63639%0.391SS*.Hα-helixtrans-62.4-45.4176.4-173.4-96.3000112.4T139 Q144 A145T139-D141 PolarHBondContact O-N 2.75Å; D141-Q144 PolarHBondContact O-N 2.98Å; D141-A145 VanDerWaalsContact O-CB 3.28Å; D141-A145 WeakPolarHBondContact O-CB 3.27Å; D141-A145 PolarHBondContact O-N 3.42Å
142Q79.8Confident77.9Confident46 Ų4665.5 Ų65.522%0.21538%0.381CS..Hα-helixtrans-69.4-38.8178.1-69.4-167.1-0.700112.3L138 T139 A145 V146 F162L138-Q142 HydrophobicContact CB-CB 4.43Å; L138-Q142 HydrophobicContact CD2-CB 3.72Å; T139-Q142 PolarHBondContact O-N 3.11Å; T139-Q142 VanDerWaalsContact O-N 3.09Å; Q142-A145 PolarHBondContact O-N 2.95Å; Q142-V146 VanDerWaalsContact O-CG2 3.3Å; Q142-V146 WeakPolarHBondContact O-CG2 3.37Å; Q142-V146 PolarHBondContact O-N 2.9Å; Q142-F162 HydrophobicContact CG-CE1 4.24Å; Q142-F162 HydrophobicContact CG-CZ 4.46Å
143Y83.3Confident77.9Confident24 Ų2465.7 Ų65.79%0.09438%0.378CS..Hα-helixtrans-61.3-47.2175.1175.8-89.2000110.8L130 Y134 T139 D140 V146 R147L130-Y143 HydrophobicContact CB-CD2 4.16Å; L130-Y143 HydrophobicContact CB-CE2 3.71Å; L130-Y143 HydrophobicContact CD2-CD2 4.13Å; L130-Y143 HydrophobicContact CD2-CE2 4.48Å; Y134-Y143 HydrophobicContact CD2-CD1 4.02Å; Y134-Y143 AromaticContact CD2-CD2 3.47Å; Y134-Y143 HydrophobicContact CD2-CD2 3.47Å; Y134-Y143 VanDerWaalsContact CD2-CD2 3.47Å; Y134-Y143 HydrophobicContact CD2-CE2 4.07Å; Y134-Y143 AromaticContact CD2-CG 3.43Å; Y134-Y143 HydrophobicContact CD2-CG 3.43Å; Y134-Y143 VanDerWaalsContact CD2-CG 3.43Å; Y134-Y143 HydrophobicContact CE2-CD1 4.08Å; Y134-Y143 HydrophobicContact CE2-CD2 4.34Å; Y134-Y143 AromaticContact CE2-CG 3.87Å; Y134-Y143 HydrophobicContact CE2-CG 3.87Å; Y134-Y143 HydrophobicContact CG-CD2 4.06Å; Y134-Y143 HydrophobicContact CG-CE2 4.31Å; Y134-Y143 HydrophobicContact CG-CG 4.41Å; T139-Y143 WeakPolarHBondContact O-CB 3.08Å; T139-Y143 PolarHBondContact O-N 3.2Å; D140-Y143 PolarHBondContact O-N 2.92Å; Y143-V146 PolarHBondContact O-N 2.85Å; Y143-R147 WeakPolarHBondContact O-CB 3.38Å; Y143-R147 PolarHBondContact O-N 2.97Å
144Q80.9Confident78.2Confident113 Ų11368.1 Ų68.153%0.52839%0.391SS..Hα-helixtrans-63.1-41.2174.5-80.4-176.5-18.700112.1D140 D141 V146 R147 A148D140-Q144 WeakPolarHBondContact O-CB 3.34Å; D140-Q144 PolarHBondContact O-N 2.88Å; D141-Q144 PolarHBondContact O-N 2.98Å; Q144-V146 VanDerWaalsContact C-N 3.32Å; Q144-V146 PolarHBondContact O-N 3.49Å; Q144-R147 PolarHBondContact O-N 3.04Å; Q144-A148 WeakPolarHBondContact O-CB 3.42Å; Q144-A148 PolarHBondContact O-N 3.4Å
145A83.9Confident78.6Confident35 Ų3564.4 Ų64.429%0.28938%0.377SS..Hα-helixtrans-63.4-36.9178.200000112.7D141 Q142D141-A145 VanDerWaalsContact O-CB 3.28Å; D141-A145 WeakPolarHBondContact O-CB 3.27Å; D141-A145 PolarHBondContact O-N 3.42Å; Q142-A145 PolarHBondContact O-N 2.95Å
146V83.8Confident79.3Confident0 Ų061.3 Ų61.30%035%0.345CS..Hα-helixtrans-73.2-42.6173.4177.40000110.4L130 L138 Q142 Y143 Q144 A148 E149 K155 K158 L159 F162L130-V146 HydrophobicContact CD1-CG1 4.03Å; L130-V146 HydrophobicContact CD2-CB 4.16Å; L130-V146 HydrophobicContact CD2-CG1 3.82Å; L130-V146 HydrophobicContact CG-CG1 4.45Å; L138-V146 HydrophobicContact CD2-CG2 4.42Å; Q142-V146 VanDerWaalsContact O-CG2 3.3Å; Q142-V146 WeakPolarHBondContact O-CG2 3.37Å; Q142-V146 PolarHBondContact O-N 2.9Å; Y143-V146 PolarHBondContact O-N 2.85Å; Q144-V146 VanDerWaalsContact C-N 3.32Å; Q144-V146 PolarHBondContact O-N 3.49Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 3.42Å; V146-E149 WeakPolarHBondContact O-CB 3.4Å; V146-E149 PolarHBondContact O-N 2.94Å; V146-K155 HydrophobicContact CG1-CB 3.86Å; V146-K155 VanDerWaalsContact CG1-O 3.3Å; V146-K155 WeakPolarHBondContact CG1-O 3.1Å; V146-K155 VanDerWaalsContact O-CG 3.32Å; V146-K155 WeakPolarHBondContact O-CG 3.43Å; V146-K158 HydrophobicContact CG2-CB 4.29Å; V146-K158 HydrophobicContact CG2-CG 4.22Å; V146-L159 HydrophobicContact CG1-CB 4.27Å; V146-L159 HydrophobicContact CG1-CD1 4.19Å; V146-L159 HydrophobicContact CG2-CB 4.34Å; V146-L159 HydrophobicContact CG2-CD1 4.36Å; V146-F162 HydrophobicContact CG2-CD2 4.24Å; V146-F162 HydrophobicContact CG2-CE2 3.67Å
147R82.4Confident80.2Confident134 Ų13463.6 Ų63.651%0.50634%0.339SS..Hα-helixtrans-68.2-30.4-178.6-167175.2-173.3-153-2.6113.4E127 Y143 Q144 E149 K155E127-R147 IonicContact OE2-CZ 2.69Å; E127-R147 IonicContact OE2-NE 2.74Å; E127-R147 PolarHBondContact OE2-NE 2.98Å; E127-R147 VanDerWaalsContact OE2-NE 3.15Å; E127-R147 IonicContact OE2-NH2 3.48Å; Y143-R147 WeakPolarHBondContact O-CB 3.38Å; Y143-R147 PolarHBondContact O-N 2.97Å; Q144-R147 PolarHBondContact O-N 3.04Å; R147-E149 PolarHBondContact O-N 3.44Å; R147-K155 WeakPolarHBondContact O-CE 3.21Å
148A84.4Confident81.1Confident82 Ų8266.7 Ų66.768%0.67835%0.351SS*.THydrogen-bonded Turntrans-66.1-13176.900000113.4Q144 V146Q144-A148 WeakPolarHBondContact O-CB 3.42Å; Q144-A148 PolarHBondContact O-N 3.4Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 3.42Å
149E84.6Confident81.5Confident55 Ų5566.6 Ų66.626%0.25735%0.351SS..SBendtrans-74.3141.9178.7-145.271.5-146.500111.5V146 R147 T151 N154 K155 K158V146-E149 WeakPolarHBondContact O-CB 3.4Å; V146-E149 PolarHBondContact O-N 2.94Å; R147-E149 PolarHBondContact O-N 3.44Å; E149-T151 PolarHBondContact O-N 2.92Å; E149-N154 HydrophobicContact CG-CB 3.46Å; E149-N154 VanDerWaalsContact CG-CB 3.46Å; E149-K155 HydrophobicContact CB-CG 3.77Å; E149-K155 WeakPolarHBondContact O-CE 3.33Å; E149-K158 WeakPolarHBondContact OE2-CD 3.37Å; E149-K158 WeakPolarHBondContact OE2-CE 3.44Å; E149-K158 IonicContact OE2-NZ 3.48Å; E149-K158 PolarHBondContact OE2-NZ 3.29Å
150T76Confident81.4Confident129 Ų12963.6 Ų63.679%0.79133%0.33SS*.SBendtrans-76-25-168.749.20000115
151T82.3Confident81.2Confident57 Ų5762.3 Ų62.335%0.3534%0.336SS..SBendtrans-128138.6-17661.30000111.4E149 N154 K155E149-T151 PolarHBondContact O-N 2.92Å; T151-N154 WeakPolarHBondContact O-CA 3.44Å; T151-N154 PolarHBondContact O-N 3.4Å; T151-N154 WeakPolarHBondContact OG1-CB 2.99Å; T151-N154 PolarHBondContact OG1-ND2 3.22Å; T151-N154 VanDerWaalsContact OG1-ND2 3.13Å; T151-K155 WeakPolarHBondContact O-CG 3.38Å; T151-K155 PolarHBondContact O-N 3.28Å
152N81Confident80.7Confident66 Ų6659.2 Ų59.235%0.35332%0.317SS..Hα-helixtrans-42.8-53174.4-72.6-7.2000113.6T124 I126 N154 K155 M156T124-N152 PolarHBondContact O-ND2 3.36Å; I126-N152 HydrophobicContact CD1-CB 3.68Å; I126-N152 WeakPolarHBondContact CD1-O 3.1Å; N152-N154 VanDerWaalsContact C-N 3.31Å; N152-N154 PolarHBondContact O-N 3.14Å; N152-K155 WeakPolarHBondContact O-CB 3.18Å; N152-K155 PolarHBondContact O-N 3.44Å; N152-K155 VanDerWaalsContact O-N 3.13Å; N152-M156 PolarHBondContact O-N 3.21Å
153P79.6Confident79.7Confident51 Ų5158.5 Ų58.533%0.33132%0.317SS..Hα-helixtrans-62.5-34.3178.422.7-34.9000113.8I120 R157I120-P153 HydrophobicContact CG2-CB 3.66Å; I120-P153 WeakPolarHBondContact CG2-O 3.41Å; P153-R157 WeakPolarHBondContact O-CB 3.32Å; P153-R157 PolarHBondContact O-N 3.31Å
154N82.4Confident78.5Confident51 Ų5163.3 Ų63.327%0.27335%0.351SS..Hα-helixtrans-70.9-36.8175.6-71.2-12.9000111.4E149 T151 N152 M156 R157 K158E149-N154 HydrophobicContact CG-CB 3.46Å; E149-N154 VanDerWaalsContact CG-CB 3.46Å; T151-N154 WeakPolarHBondContact O-CA 3.44Å; T151-N154 PolarHBondContact O-N 3.4Å; T151-N154 WeakPolarHBondContact OG1-CB 2.99Å; T151-N154 PolarHBondContact OG1-ND2 3.22Å; T151-N154 VanDerWaalsContact OG1-ND2 3.13Å; N152-N154 VanDerWaalsContact C-N 3.31Å; N152-N154 PolarHBondContact O-N 3.14Å; N154-M156 PolarHBondContact O-N 2.58Å; N154-R157 PolarHBondContact O-N 2.92Å; N154-R157 PolarHBondContact OD1-NH1 2.88Å; N154-K158 WeakPolarHBondContact O-CB 3.36Å; N154-K158 PolarHBondContact O-N 3.47Å
155K84.9Confident77.3Confident25 Ų2561.1 Ų61.111%0.10935%0.353CS..Hα-helixtrans-55.6-51.5171.9-61.8-176.4172.5179.60110.6I126 E127 V146 R147 E149 T151 N152 R157 K158 L159I126-K155 HydrophobicContact CD1-CB 4.43Å; I126-K155 HydrophobicContact CG2-CB 4.08Å; I126-K155 HydrophobicContact CG2-CD 4.28Å; E127-K155 IonicContact OE1-NZ 3.65Å; E127-K155 PolarHBondContact OE1-NZ 2.79Å; V146-K155 HydrophobicContact CG1-CB 3.86Å; V146-K155 VanDerWaalsContact CG1-O 3.3Å; V146-K155 WeakPolarHBondContact CG1-O 3.1Å; V146-K155 VanDerWaalsContact O-CG 3.32Å; V146-K155 WeakPolarHBondContact O-CG 3.43Å; R147-K155 WeakPolarHBondContact O-CE 3.21Å; E149-K155 HydrophobicContact CB-CG 3.77Å; E149-K155 WeakPolarHBondContact O-CE 3.33Å; T151-K155 WeakPolarHBondContact O-CG 3.38Å; T151-K155 PolarHBondContact O-N 3.28Å; N152-K155 WeakPolarHBondContact O-CB 3.18Å; N152-K155 PolarHBondContact O-N 3.44Å; N152-K155 VanDerWaalsContact O-N 3.13Å; K155-R157 PolarHBondContact O-N 3.23Å; K155-K158 WeakPolarHBondContact O-CB 3.35Å; K155-K158 PolarHBondContact O-N 3.06Å; K155-L159 WeakPolarHBondContact O-CB 3.33Å; K155-L159 PolarHBondContact O-N 2.84Å
156M81.2Confident76.5Confident3 Ų360.2 Ų60.22%0.01534%0.342CS..Hα-helixtrans-63.3-39.9177-89.5-86.5-101.800112.5L119 I120 V123 I126 N152 N154 K158 L159 F160 F174L119-M156 HydrophobicContact CB-CE 3.95Å; I120-M156 HydrophobicContact CB-CB 4.39Å; I120-M156 HydrophobicContact CG1-CB 3.82Å; V123-M156 HydrophobicContact CB-CE 3.83Å; V123-M156 HydrophobicContact CG1-CE 4.13Å; V123-M156 HydrophobicContact CG2-CE 3.67Å; I126-M156 HydrophobicContact CD1-CB 3.98Å; I126-M156 HydrophobicContact CD1-CG 3.23Å; I126-M156 HydrophobicContact CG1-CG 3.57Å; N152-M156 PolarHBondContact O-N 3.21Å; N154-M156 PolarHBondContact O-N 2.58Å; M156-K158 VanDerWaalsContact C-N 3.33Å; M156-K158 PolarHBondContact O-N 3.39Å; M156-L159 WeakPolarHBondContact O-CB 3.4Å; M156-L159 PolarHBondContact O-N 3.05Å; M156-L159 HydrophobicContact SD-CD2 4.02Å; M156-F160 HydrophobicContact CE-CE2 3.99Å; M156-F160 WeakPolarHBondContact O-CD2 3.43Å; M156-F160 PolarHBondContact O-N 3.17Å; M156-F160 HydrophobicContact SD-CD2 4.37Å; M156-F160 HydrophobicContact SD-CE2 3.74Å; M156-F174 HydrophobicContact CE-CZ 3.89Å; M156-F174 HydrophobicContact SD-CE2 4.28Å; M156-F174 HydrophobicContact SD-CZ 3.93Å
157R81.5Confident75.7Confident148 Ų14864.4 Ų64.456%0.55836%0.364SS*.Hα-helixtrans-63-39.8175.4-168.5-176.9-65.91260.6112.1P153 N154 K155 F160 G161P153-R157 WeakPolarHBondContact O-CB 3.32Å; P153-R157 PolarHBondContact O-N 3.31Å; N154-R157 PolarHBondContact O-N 2.92Å; N154-R157 PolarHBondContact OD1-NH1 2.88Å; K155-R157 PolarHBondContact O-N 3.23Å; R157-F160 PolarHBondContact O-N 3.42Å; R157-G161 PolarHBondContact O-N 3.29Å
158K82.4Confident75.1Confident87 Ų8762.5 Ų62.538%0.37836%0.363SS..Hα-helixtrans-63.8-47175.7-160.193.2161.8-143.60110.5V146 E149 N154 K155 M156 F160 G161 F162V146-K158 HydrophobicContact CG2-CB 4.29Å; V146-K158 HydrophobicContact CG2-CG 4.22Å; E149-K158 WeakPolarHBondContact OE2-CD 3.37Å; E149-K158 WeakPolarHBondContact OE2-CE 3.44Å; E149-K158 IonicContact OE2-NZ 3.48Å; E149-K158 PolarHBondContact OE2-NZ 3.29Å; N154-K158 WeakPolarHBondContact O-CB 3.36Å; N154-K158 PolarHBondContact O-N 3.47Å; K155-K158 WeakPolarHBondContact O-CB 3.35Å; K155-K158 PolarHBondContact O-N 3.06Å; M156-K158 VanDerWaalsContact C-N 3.33Å; M156-K158 PolarHBondContact O-N 3.39Å; K158-F160 PolarHBondContact O-N 2.94Å; K158-G161 WeakPolarHBondContact O-CA 3.3Å; K158-G161 PolarHBondContact O-N 3.13Å; K158-F162 HydrophobicContact CG-CE2 4.06Å; K158-F162 WeakPolarHBondContact O-CD2 3.2Å; K158-F162 VanDerWaalsContact O-CE2 3.25Å; K158-F162 WeakPolarHBondContact O-CE2 2.88Å; K158-F162 PolarHBondContact O-N 2.94Å
159L81.2Confident74.5Confident4 Ų463.5 Ų63.52%0.02136%0.361CS..Hα-helixtrans-55.1-49.3175.4-168.2108.7000111.5L130 L133 L138 V146 K155 M156 G161 F162 W166 F174L130-L159 HydrophobicContact CD2-CD1 3.46Å; L130-L159 VanDerWaalsContact CD2-CD1 3.46Å; L130-L159 HydrophobicContact CG-CD1 4.35Å; L133-L159 HydrophobicContact CD1-CD1 4.47Å; L133-L159 HydrophobicContact CD1-CD2 4.37Å; L138-L159 HydrophobicContact CD1-CD1 3.71Å; L138-L159 HydrophobicContact CD2-CD1 4.25Å; V146-L159 HydrophobicContact CG1-CB 4.27Å; V146-L159 HydrophobicContact CG1-CD1 4.19Å; V146-L159 HydrophobicContact CG2-CB 4.34Å; V146-L159 HydrophobicContact CG2-CD1 4.36Å; K155-L159 WeakPolarHBondContact O-CB 3.33Å; K155-L159 PolarHBondContact O-N 2.84Å; M156-L159 WeakPolarHBondContact O-CB 3.4Å; M156-L159 PolarHBondContact O-N 3.05Å; M156-L159 HydrophobicContact SD-CD2 4.02Å; L159-G161 VanDerWaalsContact C-N 3.25Å; L159-G161 PolarHBondContact O-N 3.47Å; L159-F162 WeakPolarHBondContact O-CB 3.19Å; L159-F162 PolarHBondContact O-N 3.26Å; L159-F162 VanDerWaalsContact O-N 3.09Å; L159-W166 HydrophobicContact CD1-CZ2 4.34Å; L159-W166 HydrophobicContact CD2-CH2 3.32Å; L159-W166 HydrophobicContact CD2-CZ2 3.32Å; L159-W166 HydrophobicContact CG-CH2 4.09Å; L159-W166 HydrophobicContact CG-CZ2 3.54Å; L159-F174 HydrophobicContact CD2-CE2 4.22Å
160F75Confident74Confident25 Ų2561.7 Ų61.711%0.1136%0.355CS..Hα-helixtrans-68.9-19.8173.9-77.9-65000113.8I112 L119 I120 M156 R157 K158 F162 S163 W166 F174I112-F160 HydrophobicContact CG2-CE1 3.44Å; I112-F160 VanDerWaalsContact CG2-CE1 3.44Å; I112-F160 HydrophobicContact CG2-CZ 3.88Å; L119-F160 HydrophobicContact CD1-CZ 4.46Å; I120-F160 HydrophobicContact CD1-CD2 4.08Å; I120-F160 HydrophobicContact CG1-CD2 3.99Å; I120-F160 HydrophobicContact CG1-CE2 4.14Å; M156-F160 HydrophobicContact CE-CE2 3.99Å; M156-F160 WeakPolarHBondContact O-CD2 3.43Å; M156-F160 PolarHBondContact O-N 3.17Å; M156-F160 HydrophobicContact SD-CD2 4.37Å; M156-F160 HydrophobicContact SD-CE2 3.74Å; R157-F160 PolarHBondContact O-N 3.42Å; K158-F160 PolarHBondContact O-N 2.94Å; F160-F162 PolarHBondContact O-N 2.95Å; F160-S163 WeakPolarHBondContact O-CB 3.11Å; F160-S163 PolarHBondContact O-N 2.82Å; F160-W166 HydrophobicContact CD1-CZ3 4.36Å; F160-W166 HydrophobicContact CE1-CH2 4.39Å; F160-W166 AromaticContact CE1-CZ3 3.94Å; F160-W166 HydrophobicContact CE1-CZ3 3.94Å; F160-F174 HydrophobicContact CE1-CE1 4.36Å; F160-F174 HydrophobicContact CE2-CZ 4.47Å; F160-F174 AromaticContact CZ-CE1 3.75Å; F160-F174 HydrophobicContact CZ-CE1 3.75Å; F160-F174 AromaticContact CZ-CZ 3.92Å; F160-F174 HydrophobicContact CZ-CZ 3.92Å
161G73.7Confident74Confident55 Ų5556.8 Ų56.857%0.56732%0.322SS*.Hα-helixtrans-62.8-26.4169.600000112.3R157 K158 L159 S163 P164R157-G161 PolarHBondContact O-N 3.29Å; K158-G161 WeakPolarHBondContact O-CA 3.3Å; K158-G161 PolarHBondContact O-N 3.13Å; L159-G161 VanDerWaalsContact C-N 3.25Å; L159-G161 PolarHBondContact O-N 3.47Å; G161-S163 PolarHBondContact O-N 3.24Å; G161-P164 WeakPolarHBondContact O-CD 3.38Å
162F71.3Confident73.8Confident53 Ų5358 Ų5823%0.23233%0.326CS..THydrogen-bonded Turntrans-84.810.8171.7-52.2-74000113.1Q142 V146 K158 L159 F160 P164 A165 W166Q142-F162 HydrophobicContact CG-CE1 4.24Å; Q142-F162 HydrophobicContact CG-CZ 4.46Å; V146-F162 HydrophobicContact CG2-CD2 4.24Å; V146-F162 HydrophobicContact CG2-CE2 3.67Å; K158-F162 HydrophobicContact CG-CE2 4.06Å; K158-F162 WeakPolarHBondContact O-CD2 3.2Å; K158-F162 VanDerWaalsContact O-CE2 3.25Å; K158-F162 WeakPolarHBondContact O-CE2 2.88Å; K158-F162 PolarHBondContact O-N 2.94Å; L159-F162 WeakPolarHBondContact O-CB 3.19Å; L159-F162 PolarHBondContact O-N 3.26Å; L159-F162 VanDerWaalsContact O-N 3.09Å; F160-F162 PolarHBondContact O-N 2.95Å; F162-P164 VanDerWaalsContact C-N 3.25Å; F162-P164 VanDerWaalsContact O-N 3.12Å; F162-A165 WeakPolarHBondContact O-CA 3.41Å; F162-A165 WeakPolarHBondContact O-CB 3.16Å; F162-A165 PolarHBondContact O-N 3.29Å; F162-W166 PolarHBondContact O-N 3.44Å
163S58.2Low73.7Confident31 Ų3157.5 Ų57.522%0.21732%0.324CS..G310 helixtrans-47.8-34.2175.8179.10000115F160 G161 A165 W166F160-S163 WeakPolarHBondContact O-CB 3.11Å; F160-S163 PolarHBondContact O-N 2.82Å; G161-S163 PolarHBondContact O-N 3.24Å; S163-A165 PolarHBondContact O-N 2.99Å; S163-W166 PolarHBondContact O-N 3.42Å
164P57.9Low73.7Confident126 Ų12655.1 Ų55.182%0.81831%0.308SS*.G310 helixtrans-64.9-23173.9-20.532.4000114.6G161 F162G161-P164 WeakPolarHBondContact O-CD 3.38Å; F162-P164 VanDerWaalsContact C-N 3.25Å; F162-P164 VanDerWaalsContact O-N 3.12Å
165A55.5Low73.5Confident67 Ų6753.5 Ų53.555%0.55430%0.299SS*.G310 helixtrans-92-6.6177.400000112.9F162 S163 D167F162-A165 WeakPolarHBondContact O-CA 3.41Å; F162-A165 WeakPolarHBondContact O-CB 3.16Å; F162-A165 PolarHBondContact O-N 3.29Å; S163-A165 PolarHBondContact O-N 2.99Å; A165-D167 PolarHBondContact O-N 3.33Å
166W67.6Low73.3Confident16 Ų1658.2 Ų58.26%0.06132%0.32CS..  trans-85.2102.7-178.6-77.221.2000110.7L133 V137 L159 F160 F162 S163 C170 K171 F174L133-W166 HydrophobicContact CD1-CH2 4.48Å; L133-W166 HydrophobicContact CD1-CZ2 4.45Å; V137-W166 HydrophobicContact CG1-CD2 4.43Å; V137-W166 HydrophobicContact CG1-CG 4.25Å; V137-W166 HydrophobicContact CG1-CZ2 4.49Å; L159-W166 HydrophobicContact CD1-CZ2 4.34Å; L159-W166 HydrophobicContact CD2-CH2 3.32Å; L159-W166 HydrophobicContact CD2-CZ2 3.32Å; L159-W166 HydrophobicContact CG-CH2 4.09Å; L159-W166 HydrophobicContact CG-CZ2 3.54Å; F160-W166 HydrophobicContact CD1-CZ3 4.36Å; F160-W166 HydrophobicContact CE1-CH2 4.39Å; F160-W166 AromaticContact CE1-CZ3 3.94Å; F160-W166 HydrophobicContact CE1-CZ3 3.94Å; F162-W166 PolarHBondContact O-N 3.44Å; S163-W166 PolarHBondContact O-N 3.42Å; W166-C170 HydrophobicContact CB-CB 4.27Å; W166-C170 HydrophobicContact CG-CB 4.48Å; W166-K171 HydrophobicContact CB-CG 4.36Å; W166-K171 HydrophobicContact CE3-CG 4.08Å; W166-F174 HydrophobicContact CH2-CB 4.4Å; W166-F174 HydrophobicContact CH2-CD1 4.33Å; W166-F174 AromaticContact CH2-CD2 3.93Å; W166-F174 HydrophobicContact CH2-CD2 3.93Å; W166-F174 HydrophobicContact CH2-CE2 4.21Å; W166-F174 AromaticContact CH2-CG 3.96Å; W166-F174 HydrophobicContact CH2-CG 3.96Å; W166-F174 HydrophobicContact CZ3-CB 4.23Å; W166-F174 HydrophobicContact CZ3-CD1 4.05Å; W166-F174 HydrophobicContact CZ3-CD2 4.41Å; W166-F174 HydrophobicContact CZ3-CE1 4.49Å; W166-F174 AromaticContact CZ3-CG 3.97Å; W166-F174 HydrophobicContact CZ3-CG 3.97Å
167D66.6Low73.4Confident88 Ų8858.6 Ų58.647%0.47132%0.323SS..  trans-65.7163.4171.6-143-46.4000111.3A165 T169 C170 K171A165-D167 PolarHBondContact O-N 3.33Å; D167-T169 PolarHBondContact O-N 3.24Å; D167-T169 VanDerWaalsContact O-N 3.17Å; D167-C170 WeakPolarHBondContact O-CA 3.25Å; D167-C170 WeakPolarHBondContact O-CB 3.34Å; D167-C170 PolarHBondContact O-N 2.98Å; D167-K171 PolarHBondContact O-N 2.63Å
168L69.8Low73.4Confident93 Ų9351.6 Ų51.649%0.48730%0.297SS..Hα-helixtrans-53.8-39.7-179.3-138.478.2000111.4A105 C170 K171 D172A105-L168 HydrophobicContact CB-CD2 3.44Å; A105-L168 VanDerWaalsContact CB-CD2 3.44Å; A105-L168 HydrophobicContact CB-CG 4.15Å; L168-C170 VanDerWaalsContact C-N 3.3Å; L168-C170 PolarHBondContact O-N 3.44Å; L168-K171 PolarHBondContact O-N 3.3Å; L168-D172 PolarHBondContact O-N 2.85Å
169T71.9Confident73.3Confident103 Ų10351.9 Ų51.963%0.63230%0.298SS*.Hα-helixtrans-62.2-36175.7-410000112.3D167 D172 L173D167-T169 PolarHBondContact O-N 3.24Å; D167-T169 VanDerWaalsContact O-N 3.17Å; T169-D172 PolarHBondContact O-N 2.88Å; T169-L173 WeakPolarHBondContact O-CB 3.39Å; T169-L173 PolarHBondContact O-N 3.44Å
170C73.2Confident73.2Confident18 Ų1858.6 Ų58.612%0.12233%0.33CS..Hα-helixtrans-68.8-41.6179-56.80000110.9V137 W166 D167 L168 L173 F174V137-C170 HydrophobicContact CB-CB 4.27Å; V137-C170 HydrophobicContact CG1-CB 3.72Å; V137-C170 HydrophobicContact CG2-CB 3.57Å; W166-C170 HydrophobicContact CB-CB 4.27Å; W166-C170 HydrophobicContact CG-CB 4.48Å; D167-C170 WeakPolarHBondContact O-CA 3.25Å; D167-C170 WeakPolarHBondContact O-CB 3.34Å; D167-C170 PolarHBondContact O-N 2.98Å; L168-C170 VanDerWaalsContact C-N 3.3Å; L168-C170 PolarHBondContact O-N 3.44Å; C170-L173 PolarHBondContact O-N 3.25Å; C170-F174 WeakPolarHBondContact O-CB 3.16Å; C170-F174 PolarHBondContact O-N 2.9Å
171K76.9Confident73.3Confident26 Ų2662.6 Ų62.611%0.11335%0.347CS..Hα-helixtrans-65.1-40.4175.6-67.9-169-178.6-171.80111.5A109 I112 D113 W166 D167 L168 F174 L175A109-K171 HydrophobicContact CB-CD 3.85Å; I112-K171 HydrophobicContact CD1-CB 3.85Å; I112-K171 HydrophobicContact CD1-CG 4.5Å; I112-K171 WeakPolarHBondContact CD1-O 3.39Å; D113-K171 IonicContact OD2-NZ 2.71Å; D113-K171 PolarHBondContact OD2-NZ 3.13Å; W166-K171 HydrophobicContact CB-CG 4.36Å; W166-K171 HydrophobicContact CE3-CG 4.08Å; D167-K171 PolarHBondContact O-N 2.63Å; L168-K171 PolarHBondContact O-N 3.3Å; K171-F174 PolarHBondContact O-N 3.36Å; K171-L175 PolarHBondContact O-N 3.4Å
172D78.4Confident73.4Confident81 Ų8161.5 Ų61.543%0.43333%0.328SS..Hα-helixtrans-64.9-44.3175.5-160-94.5000111.7L168 T169 F174 L175 K176L168-D172 PolarHBondContact O-N 2.85Å; T169-D172 PolarHBondContact O-N 2.88Å; D172-F174 VanDerWaalsContact C-N 3.32Å; D172-F174 PolarHBondContact O-N 2.93Å; D172-L175 PolarHBondContact O-N 3.32Å; D172-K176 WeakPolarHBondContact O-CB 3.48Å; D172-K176 PolarHBondContact O-N 2.71Å
173L77.6Confident73.7Confident57 Ų5761.9 Ų61.930%0.29834%0.336SS..Hα-helixtrans-60.7-41.9175.9-149.391.4000111.8L133 C136 T169 C170 K176 A177L133-L173 HydrophobicContact CD2-CD2 4.45Å; C136-L173 HydrophobicContact CB-CD2 4.09Å; T169-L173 WeakPolarHBondContact O-CB 3.39Å; T169-L173 PolarHBondContact O-N 3.44Å; C170-L173 PolarHBondContact O-N 3.25Å; L173-K176 WeakPolarHBondContact O-CB 3.43Å; L173-K176 PolarHBondContact O-N 3.15Å; L173-A177 WeakPolarHBondContact O-CB 3.38Å; L173-A177 PolarHBondContact O-N 3.22Å
174F80.1Confident74.7Confident0 Ų070 Ų700%036%0.363CS..Hα-helixtrans-62.5-46.3176-179.4-110.7000111.9I112 L119 L129 L133 M156 L159 F160 W166 C170 K171 D172 K176 A177 L178I112-F174 HydrophobicContact CD1-CD1 3.92Å; I112-F174 HydrophobicContact CG1-CD1 4.19Å; I112-F174 HydrophobicContact CG2-CD1 4.12Å; I112-F174 HydrophobicContact CG2-CE1 4.12Å; L119-F174 HydrophobicContact CD1-CE1 4.31Å; L129-F174 HydrophobicContact CD1-CE2 4.28Å; L133-F174 HydrophobicContact CD1-CD2 3.52Å; L133-F174 HydrophobicContact CD1-CE2 4.06Å; L133-F174 HydrophobicContact CD2-CB 4.12Å; L133-F174 HydrophobicContact CD2-CD2 4.34Å; L133-F174 HydrophobicContact CG-CD2 4.38Å; M156-F174 HydrophobicContact CE-CZ 3.89Å; M156-F174 HydrophobicContact SD-CE2 4.28Å; M156-F174 HydrophobicContact SD-CZ 3.93Å; L159-F174 HydrophobicContact CD2-CE2 4.22Å; F160-F174 HydrophobicContact CE1-CE1 4.36Å; F160-F174 HydrophobicContact CE2-CZ 4.47Å; F160-F174 AromaticContact CZ-CE1 3.75Å; F160-F174 HydrophobicContact CZ-CE1 3.75Å; F160-F174 AromaticContact CZ-CZ 3.92Å; F160-F174 HydrophobicContact CZ-CZ 3.92Å; W166-F174 HydrophobicContact CH2-CB 4.4Å; W166-F174 HydrophobicContact CH2-CD1 4.33Å; W166-F174 AromaticContact CH2-CD2 3.93Å; W166-F174 HydrophobicContact CH2-CD2 3.93Å; W166-F174 HydrophobicContact CH2-CE2 4.21Å; W166-F174 AromaticContact CH2-CG 3.96Å; W166-F174 HydrophobicContact CH2-CG 3.96Å; W166-F174 HydrophobicContact CZ3-CB 4.23Å; W166-F174 HydrophobicContact CZ3-CD1 4.05Å; W166-F174 HydrophobicContact CZ3-CD2 4.41Å; W166-F174 HydrophobicContact CZ3-CE1 4.49Å; W166-F174 AromaticContact CZ3-CG 3.97Å; W166-F174 HydrophobicContact CZ3-CG 3.97Å; C170-F174 WeakPolarHBondContact O-CB 3.16Å; C170-F174 PolarHBondContact O-N 2.9Å; K171-F174 PolarHBondContact O-N 3.36Å; D172-F174 VanDerWaalsContact C-N 3.32Å; D172-F174 PolarHBondContact O-N 2.93Å; F174-K176 VanDerWaalsContact C-N 3.29Å; F174-K176 PolarHBondContact O-N 3.38Å; F174-A177 PolarHBondContact O-N 3.37Å; F174-L178 HydrophobicContact CD1-CD1 3.61Å; F174-L178 HydrophobicContact CD2-CD1 4.42Å; F174-L178 HydrophobicContact CE1-CD1 3.17Å; F174-L178 HydrophobicContact CE2-CD1 4.08Å; F174-L178 HydrophobicContact CG-CD1 4.24Å; F174-L178 HydrophobicContact CZ-CD1 3.46Å; F174-L178 VanDerWaalsContact CZ-CD1 3.46Å; F174-L178 WeakPolarHBondContact O-CB 3.43Å; F174-L178 PolarHBondContact O-N 2.82Å
175L78.3Confident75.7Confident18 Ų1865 Ų659%0.09433%0.33CS..Hα-helixtrans-61.9-40.4175.7-163.197.1000111.4T108 F111 I112 K171 D172 L178 K179T108-L175 HydrophobicContact CG2-CB 3.78Å; T108-L175 HydrophobicContact CG2-CD1 3.94Å; T108-L175 HydrophobicContact CG2-CD2 3.43Å; T108-L175 VanDerWaalsContact CG2-CD2 3.43Å; T108-L175 HydrophobicContact CG2-CG 3.87Å; F111-L175 HydrophobicContact CD1-CD1 3.54Å; F111-L175 HydrophobicContact CE1-CD1 3.88Å; I112-L175 HydrophobicContact CD1-CB 4.21Å; I112-L175 HydrophobicContact CD1-CD1 4.27Å; I112-L175 HydrophobicContact CG1-CD1 4Å; K171-L175 PolarHBondContact O-N 3.4Å; D172-L175 PolarHBondContact O-N 3.32Å; L175-L178 WeakPolarHBondContact O-CB 3.35Å; L175-L178 PolarHBondContact O-N 3.33Å; L175-K179 HydrophobicContact CD2-CD 4.13Å; L175-K179 WeakPolarHBondContact O-CG 3.4Å; L175-K179 PolarHBondContact O-N 2.85Å
176K81.2Confident76.8Confident123 Ų12362 Ų6254%0.53530%0.304SS..Hα-helixtrans-62.2-47.3177.7-172.6179.1179.5-178.30111.2D172 L173 F174 L178 K179 E180D172-K176 WeakPolarHBondContact O-CB 3.48Å; D172-K176 PolarHBondContact O-N 2.71Å; L173-K176 WeakPolarHBondContact O-CB 3.43Å; L173-K176 PolarHBondContact O-N 3.15Å; F174-K176 VanDerWaalsContact C-N 3.29Å; F174-K176 PolarHBondContact O-N 3.38Å; K176-L178 VanDerWaalsContact C-N 3.29Å; K176-L178 PolarHBondContact O-N 3.11Å; K176-K179 PolarHBondContact O-N 3.23Å; K176-K179 VanDerWaalsContact O-N 3.13Å; K176-E180 PolarHBondContact O-N 2.78Å
177A82.3Confident77.4Confident11 Ų1163.5 Ų63.59%0.09132%0.32CS..Hα-helixtrans-62.2-38.4175.600000111.6L129 A132 L173 F174 E180 K181L129-A177 HydrophobicContact CD2-CB 3.56Å; A132-A177 HydrophobicContact CB-CB 4.13Å; L173-A177 WeakPolarHBondContact O-CB 3.38Å; L173-A177 PolarHBondContact O-N 3.22Å; F174-A177 PolarHBondContact O-N 3.37Å; A177-E180 PolarHBondContact O-N 2.89Å; A177-K181 WeakPolarHBondContact O-CB 3.45Å; A177-K181 WeakPolarHBondContact O-CG 3.39Å; A177-K181 PolarHBondContact O-N 3.48Å
178L81.5Confident78Confident1 Ų162.8 Ų62.81%0.00532%0.316CS..Hα-helixtrans-61.3-42.7171.9-104148.4000112.6L119 V123 L129 F174 L175 K176 E180 L182 L185 V186L119-L178 HydrophobicContact CD1-CD1 4.44Å; L119-L178 HydrophobicContact CD2-CD1 3.79Å; L119-L178 HydrophobicContact CD2-CD2 3.53Å; L119-L178 HydrophobicContact CD2-CG 4.33Å; V123-L178 HydrophobicContact CG2-CD2 4.05Å; L129-L178 HydrophobicContact CD1-CG 4.35Å; L129-L178 HydrophobicContact CD2-CG 4.32Å; F174-L178 HydrophobicContact CD1-CD1 3.61Å; F174-L178 HydrophobicContact CD2-CD1 4.42Å; F174-L178 HydrophobicContact CE1-CD1 3.17Å; F174-L178 HydrophobicContact CE2-CD1 4.08Å; F174-L178 HydrophobicContact CG-CD1 4.24Å; F174-L178 HydrophobicContact CZ-CD1 3.46Å; F174-L178 VanDerWaalsContact CZ-CD1 3.46Å; F174-L178 WeakPolarHBondContact O-CB 3.43Å; F174-L178 PolarHBondContact O-N 2.82Å; L175-L178 WeakPolarHBondContact O-CB 3.35Å; L175-L178 PolarHBondContact O-N 3.33Å; K176-L178 VanDerWaalsContact C-N 3.29Å; K176-L178 PolarHBondContact O-N 3.11Å; L178-E180 VanDerWaalsContact C-N 3.35Å; L178-L182 HydrophobicContact CD2-CB 4.5Å; L178-L182 HydrophobicContact CD2-CD1 4.42Å; L178-L182 CarbonylContact O-C 3.08Å; L178-L182 VanDerWaalsContact O-CA 3.23Å; L178-L182 WeakPolarHBondContact O-CA 3.35Å; L178-L182 PolarHBondContact O-N 3.42Å; L178-L185 HydrophobicContact CD2-CD2 3.93Å; L178-V186 HydrophobicContact CB-CG2 3.9Å; L178-V186 HydrophobicContact CD2-CG2 4.25Å
179K80.5Confident78.3Confident93 Ų9358.5 Ų58.540%0.40429%0.294SS..Hα-helixtrans-66.6-35.7176.5-76.7-178.3173.6-176.80112.2L175 K176 P183 V186L175-K179 HydrophobicContact CD2-CD 4.13Å; L175-K179 WeakPolarHBondContact O-CG 3.4Å; L175-K179 PolarHBondContact O-N 2.85Å; K176-K179 PolarHBondContact O-N 3.23Å; K176-K179 VanDerWaalsContact O-N 3.13Å; K179-P183 WeakPolarHBondContact O-CA 3.4Å; K179-P183 WeakPolarHBondContact O-CB 3.48Å; K179-P183 WeakPolarHBondContact O-CD 3.3Å; K179-V186 HydrophobicContact CD-CG1 4.36Å; K179-V186 HydrophobicContact CG-CB 4.07Å; K179-V186 HydrophobicContact CG-CG1 3.78Å; K179-V186 HydrophobicContact CG-CG2 3.88Å
180E79.6Confident78.4Confident146 Ų14659.4 Ų59.468%0.68229%0.291SS*.Hα-helixtrans-71.9-48176.6-93.2-175.377.700112.8K176 A177 L178K176-E180 PolarHBondContact O-N 2.78Å; A177-E180 PolarHBondContact O-N 2.89Å; L178-E180 VanDerWaalsContact C-N 3.35Å
181K77.7Confident78.1Confident108 Ų10869.6 Ų69.647%0.4733%0.327SS..Hα-helixtrans-82-37.7-174.5-63-68.6-177.6174.70112.2A177A177-K181 WeakPolarHBondContact O-CB 3.45Å; A177-K181 WeakPolarHBondContact O-CG 3.39Å; A177-K181 PolarHBondContact O-N 3.48Å
182L75.6Confident77.1Confident32 Ų3273.6 Ų73.617%0.16836%0.358CS..  trans-135.758.8-171.1-61.6170.1000111.4V123 L178 Y184 L185 V186V123-L182 HydrophobicContact CB-CD1 4.21Å; V123-L182 HydrophobicContact CG1-CD1 3.91Å; V123-L182 HydrophobicContact CG2-CD1 3.91Å; L178-L182 HydrophobicContact CD2-CB 4.5Å; L178-L182 HydrophobicContact CD2-CD1 4.42Å; L178-L182 CarbonylContact O-C 3.08Å; L178-L182 VanDerWaalsContact O-CA 3.23Å; L178-L182 WeakPolarHBondContact O-CA 3.35Å; L178-L182 PolarHBondContact O-N 3.42Å; L182-Y184 PolarHBondContact O-N 3.39Å; L182-L185 HydrophobicContact CB-CB 3.86Å; L182-L185 HydrophobicContact CB-CD2 4.5Å; L182-L185 HydrophobicContact CD1-CD2 4.14Å; L182-L185 WeakPolarHBondContact O-CB 3.36Å; L182-L185 PolarHBondContact O-N 3.23Å; L182-V186 PolarHBondContact O-N 3.41Å
183P77.3Confident77Confident62 Ų6273.2 Ų73.240%0.40335%0.354SS..Hα-helixtrans-58.1-36.5-178.321.8-32.3000112.7K179 L185 V186 A187K179-P183 WeakPolarHBondContact O-CA 3.4Å; K179-P183 WeakPolarHBondContact O-CB 3.48Å; K179-P183 WeakPolarHBondContact O-CD 3.3Å; P183-L185 VanDerWaalsContact C-N 3.31Å; P183-L185 PolarHBondContact O-N 3.3Å; P183-V186 PolarHBondContact O-N 3.28Å; P183-A187 WeakPolarHBondContact O-CB 3.23Å; P183-A187 PolarHBondContact O-N 2.95Å
184Y78.6Confident77Confident201 Ų20174.1 Ų74.179%0.78836%0.357SS*.Hα-helixtrans-64.2-36.4177.3-58.6-77.7000112.7L182 D188L182-Y184 PolarHBondContact O-N 3.39Å; Y184-D188 WeakPolarHBondContact O-CB 3.47Å; Y184-D188 PolarHBondContact O-N 3.13Å
185L79.5Confident76.8Confident21 Ų2178.2 Ų78.211%0.1138%0.377CS..Hα-helixtrans-69.1-42.9178.7-169.775.8000110.2L119 R122 V123 L178 L182 P183 D188 L189L119-L185 HydrophobicContact CD2-CD2 3.99Å; R122-L185 HydrophobicContact CB-CD1 3.38Å; R122-L185 HydrophobicContact CB-CD2 4.4Å; R122-L185 HydrophobicContact CG-CD1 4.26Å; V123-L185 HydrophobicContact CG2-CD2 3.55Å; L178-L185 HydrophobicContact CD2-CD2 3.93Å; L182-L185 HydrophobicContact CB-CB 3.86Å; L182-L185 HydrophobicContact CB-CD2 4.5Å; L182-L185 HydrophobicContact CD1-CD2 4.14Å; L182-L185 WeakPolarHBondContact O-CB 3.36Å; L182-L185 PolarHBondContact O-N 3.23Å; P183-L185 VanDerWaalsContact C-N 3.31Å; P183-L185 PolarHBondContact O-N 3.3Å; L185-D188 PolarHBondContact O-N 2.79Å; L185-L189 HydrophobicContact CD2-CD1 4.34Å; L185-L189 HydrophobicContact CG-CD1 3.98Å; L185-L189 HydrophobicContact CG-CG 4.46Å; L185-L189 WeakPolarHBondContact O-CB 3.43Å; L185-L189 WeakPolarHBondContact O-CG 3.41Å; L185-L189 PolarHBondContact O-N 3.36Å
186V79.3Confident76.7Confident3 Ų381.7 Ų81.72%0.01839%0.393CS..Hα-helixtrans-64.9-43.8178.2-177.10000110.8L178 K179 L182 P183 D188 L189 E190L178-V186 HydrophobicContact CB-CG2 3.9Å; L178-V186 HydrophobicContact CD2-CG2 4.25Å; K179-V186 HydrophobicContact CD-CG1 4.36Å; K179-V186 HydrophobicContact CG-CB 4.07Å; K179-V186 HydrophobicContact CG-CG1 3.78Å; K179-V186 HydrophobicContact CG-CG2 3.88Å; L182-V186 PolarHBondContact O-N 3.41Å; P183-V186 PolarHBondContact O-N 3.28Å; V186-D188 VanDerWaalsContact C-N 3.31Å; V186-D188 PolarHBondContact O-N 2.9Å; V186-L189 PolarHBondContact O-N 3.2Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CB 3.4Å; V186-E190 WeakPolarHBondContact O-CG 3.36Å; V186-E190 PolarHBondContact O-N 3.34Å
187A78.8Confident76.4Confident48 Ų4879.1 Ų79.140%0.39739%0.385SS..Hα-helixtrans-63.2-33.9176.400000113.5P183 R191P183-A187 WeakPolarHBondContact O-CB 3.23Å; P183-A187 PolarHBondContact O-N 2.95Å; A187-R191 WeakPolarHBondContact O-CG 3.32Å
188D79Confident76Confident74 Ų7483.7 Ų83.740%0.39640%0.404SS..Hα-helixtrans-70.8-41.6174.4-170.7-106.9000111.5R122 Y184 L185 V186 R191 S192R122-D188 IonicContact CZ-OD1 2.74Å; R122-D188 IonicContact NH1-OD1 3.58Å; R122-D188 PolarHBondContact NH1-OD1 3.44Å; Y184-D188 WeakPolarHBondContact O-CB 3.47Å; Y184-D188 PolarHBondContact O-N 3.13Å; L185-D188 PolarHBondContact O-N 2.79Å; V186-D188 VanDerWaalsContact C-N 3.31Å; V186-D188 PolarHBondContact O-N 2.9Å; D188-R191 PolarHBondContact O-N 3.02Å; D188-S192 PolarHBondContact O-N 2.99Å
189L77.6Confident75.6Confident3 Ų389.6 Ų89.62%0.01643%0.433CS..Hα-helixtrans-70.2-32.7177.4-67.2173.1000112.8F111 H115 A118 L119 L185 V186 R191 S192F111-L189 HydrophobicContact CE1-CB 4.23Å; F111-L189 HydrophobicContact CE2-CB 4.27Å; F111-L189 HydrophobicContact CZ-CB 3.51Å; H115-L189 HydrophobicContact CB-CD1 4.35Å; H115-L189 HydrophobicContact CB-CD2 4.12Å; H115-L189 PolarHBondContact CE1-O 3.45Å; A118-L189 HydrophobicContact CB-CD2 3.43Å; A118-L189 VanDerWaalsContact CB-CD2 3.43Å; L119-L189 HydrophobicContact CD2-CD1 3.38Å; L119-L189 HydrophobicContact CG-CD1 3.82Å; L185-L189 HydrophobicContact CD2-CD1 4.34Å; L185-L189 HydrophobicContact CG-CD1 3.98Å; L185-L189 HydrophobicContact CG-CG 4.46Å; L185-L189 WeakPolarHBondContact O-CB 3.43Å; L185-L189 WeakPolarHBondContact O-CG 3.41Å; L185-L189 PolarHBondContact O-N 3.36Å; V186-L189 PolarHBondContact O-N 3.2Å; L189-R191 PolarHBondContact O-N 3.01Å; L189-S192 PolarHBondContact O-N 3.21Å
190E72.9Confident75.3Confident121 Ų12189.3 Ų89.357%0.56544%0.435SS*.THydrogen-bonded Turntrans-67.3-20173.1-77.6-175.210000113.1F111 V186F111-E190 HydrophobicContact CE2-CB 4.45Å; F111-E190 HydrophobicContact CE2-CG 3.84Å; F111-E190 HydrophobicContact CZ-CG 3.82Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CB 3.4Å; V186-E190 WeakPolarHBondContact O-CG 3.36Å; V186-E190 PolarHBondContact O-N 3.34Å
191R66.6Low74.9Confident233 Ų23384.6 Ų84.688%0.87941%0.414SS*.THydrogen-bonded Turntrans-99.1-1.2179.5-67.3177.283.3-177.36.2113.7A187 D188 L189A187-R191 WeakPolarHBondContact O-CG 3.32Å; D188-R191 PolarHBondContact O-N 3.02Å; L189-R191 PolarHBondContact O-N 3.01Å
192S56Low74.6Confident109 Ų10982.5 Ų82.576%0.76241%0.409SS*.  trans-107.30-175.4-172.90000113.4D188 L189D188-S192 PolarHBondContact O-N 2.99Å; L189-S192 PolarHBondContact O-N 3.21Å

Retrieved 192 of 192 residues in 116.7 ms (Link to these results)

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