X6RHM1_HUMAN Loading...

Interferon gamma inducible protein 16

AlphaFold DB , UniProt , Accession X6RHM1, Species HUMAN (Homo sapiens, Human), Gene IFI16, Length 180 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
1M64.9Low90.7Very high142 Ų14268 Ų6870%0.733%0.332SS*.  0-20.90-79.4-170.2177.400113.8K3 K4 Y5 V89M1-K3 PolarHBondContact O-N 3.3Å; M1-K4 WeakPolarHBondContact O-CB 3.4Å; M1-K4 PolarHBondContact O-N 2.84Å; M1-Y5 HydrophobicContact CB-CD2 3.92Å; M1-Y5 HydrophobicContact CB-CE2 3.63Å; M1-Y5 HydrophobicContact CG-CE2 4.33Å; M1-Y5 PolarHBondContact O-N 2.81Å; M1-Y5 HydrophobicContact SD-CE2 3.86Å; M1-V89 HydrophobicContact SD-CG1 4.22Å
2G76.5Confident91.1Very high18 Ų1871.2 Ų71.219%0.18634%0.343CS..Hα-helixtrans-42.8-53.8-17700000115.2K4 Y5 K6 E53G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.34Å; G2-Y5 PolarHBondContact O-N 2.88Å; G2-K6 PolarHBondContact O-N 2.84Å; G2-E53 VanDerWaalsContact C-OE1 3.31Å
3K88.7Confident91.5Very high167 Ų16765.7 Ų65.773%0.72632%0.317SS*.Hα-helixtrans-53.3-38.7177.8-65.3-173.8179-174.50114.8M1 N7 E53M1-K3 PolarHBondContact O-N 3.3Å; K3-N7 PolarHBondContact O-N 2.86Å; K3-N7 VanDerWaalsContact O-N 3.08Å; K3-N7 PolarHBondContact O-OD1 3.36Å; K3-E53 PolarHBondContact N-OE1 3.18Å
4K92.6Very high91.9Very high135 Ų13561 Ų6159%0.58729%0.294SS*.Hα-helixtrans-67.7-43.9178.4-66.3-175.3178.5-176.20110.9M1 G2 N7 I8 V89M1-K4 WeakPolarHBondContact O-CB 3.4Å; M1-K4 PolarHBondContact O-N 2.84Å; G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.34Å; K4-N7 PolarHBondContact O-N 3.12Å; K4-I8 WeakPolarHBondContact O-CG1 3.48Å; K4-I8 PolarHBondContact O-N 3.24Å; K4-V89 HydrophobicContact CB-CG1 4.21Å; K4-V89 HydrophobicContact CD-CG1 4.31Å
5Y94.9Very high92.3Very high8 Ų864.2 Ų64.23%0.03131%0.308CS..Hα-helixtrans-69.3-39.2178.6-68.6-61.1000112.2M1 G2 N7 I8 V9 D59 L62 K86 V89 K90M1-Y5 HydrophobicContact CB-CD2 3.92Å; M1-Y5 HydrophobicContact CB-CE2 3.63Å; M1-Y5 HydrophobicContact CG-CE2 4.33Å; M1-Y5 PolarHBondContact O-N 2.81Å; M1-Y5 HydrophobicContact SD-CE2 3.86Å; G2-Y5 PolarHBondContact O-N 2.88Å; Y5-N7 VanDerWaalsContact C-N 3.33Å; Y5-N7 PolarHBondContact O-N 2.95Å; Y5-I8 HydrophobicContact CD1-CD1 4.5Å; Y5-I8 WeakPolarHBondContact O-CB 3.44Å; Y5-I8 PolarHBondContact O-N 3.31Å; Y5-I8 VanDerWaalsContact O-N 3.1Å; Y5-V9 WeakPolarHBondContact O-CG2 3.41Å; Y5-V9 PolarHBondContact O-N 3.42Å; Y5-D59 VanDerWaalsContact CB-O 3.27Å; Y5-D59 WeakPolarHBondContact CB-O 3.48Å; Y5-D59 HydrophobicContact CD2-CB 4.32Å; Y5-D59 HydrophobicContact CE2-CB 4.46Å; Y5-D59 HydrophobicContact CG-CB 4.38Å; Y5-L62 HydrophobicContact CD1-CD2 3.67Å; Y5-L62 HydrophobicContact CE1-CD2 4.23Å; Y5-K86 HydrophobicContact CE1-CG 4.36Å; Y5-V89 HydrophobicContact CD1-CB 4.28Å; Y5-V89 HydrophobicContact CD1-CG1 4.06Å; Y5-V89 HydrophobicContact CD1-CG2 4.41Å; Y5-V89 HydrophobicContact CD2-CG1 4.47Å; Y5-V89 HydrophobicContact CE1-CB 3.59Å; Y5-V89 HydrophobicContact CE1-CG1 3.47Å; Y5-V89 VanDerWaalsContact CE1-CG1 3.47Å; Y5-V89 HydrophobicContact CE1-CG2 4.17Å; Y5-V89 HydrophobicContact CE2-CG1 3.93Å; Y5-K90 WeakPolarHBondContact OH-CG 3.44Å
6K95.5Very high92.5Very high43 Ų4365.4 Ų65.419%0.18732%0.321CS..Hα-helixtrans-57.5-45.2172.6171.8174.4168.3-1800112.2G2 I8 V9 L10 D50 E53 A60G2-K6 PolarHBondContact O-N 2.84Å; K6-I8 PolarHBondContact O-N 2.58Å; K6-V9 PolarHBondContact O-N 2.78Å; K6-L10 PolarHBondContact O-N 2.75Å; K6-D50 WeakPolarHBondContact CE-OD1 2.76Å; K6-D50 IonicContact NZ-OD1 2.59Å; K6-D50 PolarHBondContact NZ-OD1 2.94Å; K6-E53 HydrophobicContact CB-CB 4.38Å; K6-E53 HydrophobicContact CD-CB 3.99Å; K6-E53 VanDerWaalsContact CD-CD 3.48Å; K6-E53 HydrophobicContact CD-CG 4.28Å; K6-E53 WeakPolarHBondContact CD-OE2 3.5Å; K6-E53 IonicContact NZ-OE2 3.08Å; K6-E53 PolarHBondContact NZ-OE2 2.94Å; K6-E53 VanDerWaalsContact NZ-OE2 3.08Å; K6-A60 HydrophobicContact CB-CB 4.16Å
7N96.2Very high92.7Very high92 Ų9261.9 Ų61.949%0.49230%0.304SS..Hα-helixtrans-59.4-37.2176.4-75.4-2.2000112K3 K4 Y5 L11K3-N7 PolarHBondContact O-N 2.86Å; K3-N7 VanDerWaalsContact O-N 3.08Å; K3-N7 PolarHBondContact O-OD1 3.36Å; K4-N7 PolarHBondContact O-N 3.12Å; Y5-N7 VanDerWaalsContact C-N 3.33Å; Y5-N7 PolarHBondContact O-N 2.95Å; N7-L11 WeakPolarHBondContact O-CB 3.37Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 2.84Å
8I96.4Very high92.9Very high14 Ų1462.9 Ų62.97%0.07231%0.311CS..Hα-helixtrans-68-48175.5-65.9163.9000110.5K4 Y5 K6 L10 K12 G13 L62 L82 E85 V89K4-I8 WeakPolarHBondContact O-CG1 3.48Å; K4-I8 PolarHBondContact O-N 3.24Å; Y5-I8 HydrophobicContact CD1-CD1 4.5Å; Y5-I8 WeakPolarHBondContact O-CB 3.44Å; Y5-I8 PolarHBondContact O-N 3.31Å; Y5-I8 VanDerWaalsContact O-N 3.1Å; K6-I8 PolarHBondContact O-N 2.58Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 3.33Å; I8-K12 HydrophobicContact CG2-CB 4.4Å; I8-K12 WeakPolarHBondContact O-CA 3.34Å; I8-K12 WeakPolarHBondContact O-CB 3.34Å; I8-K12 PolarHBondContact O-N 3.13Å; I8-G13 PolarHBondContact O-N 3.34Å; I8-L62 HydrophobicContact CB-CD2 4.49Å; I8-L62 HydrophobicContact CG2-CD1 3.84Å; I8-L62 HydrophobicContact CG2-CD2 4.03Å; I8-L82 HydrophobicContact CG2-CD2 3.66Å; I8-E85 HydrophobicContact CD1-CB 4.08Å; I8-E85 HydrophobicContact CG1-CB 4.34Å; I8-E85 HydrophobicContact CG2-CB 3.88Å; I8-V89 HydrophobicContact CD1-CG2 3.35Å
9V97.1Very high93Very high0 Ų065.9 Ų65.90%033%0.328CS..Iπ-helixtrans-54.5-47.9177.4163.60000111Y5 K6 G13 L14 A49 M52 L62 L65Y5-V9 WeakPolarHBondContact O-CG2 3.41Å; Y5-V9 PolarHBondContact O-N 3.42Å; K6-V9 PolarHBondContact O-N 2.78Å; V9-G13 CarbonylContact O-C 3.52Å; V9-G13 VanDerWaalsContact O-CA 3.25Å; V9-G13 WeakPolarHBondContact O-CA 3.25Å; V9-G13 PolarHBondContact O-N 3.27Å; V9-L14 HydrophobicContact CG1-CD1 4.11Å; V9-L14 HydrophobicContact CG1-CG 4.34Å; V9-L14 PolarHBondContact O-N 3.38Å; V9-A49 HydrophobicContact CG1-CB 4.28Å; V9-M52 HydrophobicContact CG1-CE 4.43Å; V9-M52 HydrophobicContact CG1-SD 3.99Å; V9-L62 HydrophobicContact CG2-CB 3.88Å; V9-L62 HydrophobicContact CG2-CD1 4.04Å; V9-L65 HydrophobicContact CB-CD2 4.45Å; V9-L65 HydrophobicContact CG1-CD2 4.12Å; V9-L65 HydrophobicContact CG2-CD2 4.37Å
10L97.6Very high93.2Very high26 Ų2669.4 Ų69.414%0.13634%0.338CS..Iπ-helixtrans-71.8-62.4-179.9-177.758000111.5K6 I8 K12 L14 E15 K45 I46 A49K6-L10 PolarHBondContact O-N 2.75Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 3.33Å; L10-K12 PolarHBondContact O-N 3.34Å; L10-L14 PolarHBondContact O-N 3.36Å; L10-E15 WeakPolarHBondContact O-CB 3.48Å; L10-E15 PolarHBondContact O-N 3.24Å; L10-K45 HydrophobicContact CD1-CB 4.12Å; L10-I46 HydrophobicContact CD1-CG1 4.25Å; L10-I46 HydrophobicContact CD2-CG1 4.29Å; L10-A49 HydrophobicContact CB-CB 3.97Å; L10-A49 HydrophobicContact CD1-CB 4.19Å; L10-A49 HydrophobicContact CG-CB 4.5Å
11L97.2Very high93.3Very high103 Ų10367.3 Ų67.354%0.53933%0.328SS..Iπ-helixtrans-76-29.1-166.6-60176.3000114.2N7 V16N7-L11 WeakPolarHBondContact O-CB 3.37Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 2.84Å; L11-V16 WeakPolarHBondContact O-CG2 3.49Å
12K96Very high94.9Very high106 Ų10661.1 Ų61.146%0.46130%0.297SS..Iπ-helixtrans-109.3-14.4-177.3-60.1-62.5-175.1-177.20112.9I8 L10 L82I8-K12 HydrophobicContact CG2-CB 4.4Å; I8-K12 WeakPolarHBondContact O-CA 3.34Å; I8-K12 WeakPolarHBondContact O-CB 3.34Å; I8-K12 PolarHBondContact O-N 3.13Å; L10-K12 PolarHBondContact O-N 3.34Å; K12-L82 HydrophobicContact CB-CD2 3.86Å
13G96.1Very high95.8Very high0 Ų066.8 Ų66.80%031%0.313CS..Iπ-helixtrans-106.6-77.8178.800000112.1I8 V9I8-G13 PolarHBondContact O-N 3.34Å; V9-G13 CarbonylContact O-C 3.52Å; V9-G13 VanDerWaalsContact O-CA 3.25Å; V9-G13 WeakPolarHBondContact O-CA 3.25Å; V9-G13 PolarHBondContact O-N 3.27Å
14L97.4Very high96.1Very high0 Ų061.4 Ų61.40%029%0.291CS..Iπ-helixtrans-72.2-35.6-169.7-59.2179.6000113.4V9 L10 I17 F22 V25 K45 I48 A49 L65V9-L14 HydrophobicContact CG1-CD1 4.11Å; V9-L14 HydrophobicContact CG1-CG 4.34Å; V9-L14 PolarHBondContact O-N 3.38Å; L10-L14 PolarHBondContact O-N 3.36Å; L14-I17 HydrophobicContact CD2-CD1 4.36Å; L14-I17 WeakPolarHBondContact O-CG1 3.37Å; L14-F22 HydrophobicContact CD1-CE2 4.45Å; L14-F22 HydrophobicContact CD2-CD2 4.21Å; L14-F22 HydrophobicContact CD2-CE2 4.18Å; L14-V25 HydrophobicContact CD2-CG1 4.18Å; L14-K45 HydrophobicContact CB-CB 4.14Å; L14-K45 HydrophobicContact CB-CG 4.3Å; L14-K45 WeakPolarHBondContact CD1-O 3.38Å; L14-K45 WeakPolarHBondContact O-CD 3.47Å; L14-K45 WeakPolarHBondContact O-CE 3.3Å; L14-K45 PolarHBondContact O-NZ 3.34Å; L14-K45 VanDerWaalsContact O-NZ 3.13Å; L14-I48 HydrophobicContact CD1-CB 4.27Å; L14-I48 HydrophobicContact CD1-CG2 3.91Å; L14-A49 HydrophobicContact CD1-CB 4.14Å; L14-L65 HydrophobicContact CD2-CD1 4.01Å; L14-L65 HydrophobicContact CD2-CD2 4.46Å
15E96.9Very high96.3Very high109 Ų10955 Ų5551%0.50926%0.263SS..THydrogen-bonded Turntrans-66.4-40.7-178.7-172.159.6-164.100111.9L10 I17 K45L10-E15 WeakPolarHBondContact O-CB 3.48Å; L10-E15 PolarHBondContact O-N 3.24Å; E15-I17 VanDerWaalsContact C-N 3.29Å; E15-I17 PolarHBondContact O-N 3.39Å; E15-K45 PolarHBondContact O-NZ 3.38Å
16V95.9Very high96.3Very high84 Ų8455.5 Ų55.551%0.50927%0.265SS..THydrogen-bonded Turntrans-73.1-21.9-173-170.10000112.5L11 L78L11-V16 WeakPolarHBondContact O-CG2 3.49Å; V16-L78 HydrophobicContact CB-CD2 4.29Å; V16-L78 HydrophobicContact CG1-CD1 4.42Å; V16-L78 HydrophobicContact CG1-CD2 3.83Å
17I96.1Very high96.3Very high5 Ų555.8 Ų55.83%0.02627%0.273CS..SBendtrans-85.5148.3-179.861.6172.2000112.1L14 E15 H21 F22 V25 K45 F69 L75 L78L14-I17 HydrophobicContact CD2-CD1 4.36Å; L14-I17 WeakPolarHBondContact O-CG1 3.37Å; E15-I17 VanDerWaalsContact C-N 3.29Å; E15-I17 PolarHBondContact O-N 3.39Å; I17-H21 HydrophobicContact CB-CB 4.08Å; I17-H21 HydrophobicContact CD1-CB 4.39Å; I17-F22 HydrophobicContact CD1-CB 3.95Å; I17-F22 HydrophobicContact CD1-CD2 4.22Å; I17-F22 HydrophobicContact CG1-CB 4.25Å; I17-V25 HydrophobicContact CD1-CG2 4.07Å; I17-K45 PolarHBondContact O-NZ 3.42Å; I17-F69 HydrophobicContact CD1-CE1 4.42Å; I17-F69 HydrophobicContact CD1-CZ 4.24Å; I17-F69 HydrophobicContact CG2-CE2 4.32Å; I17-F69 HydrophobicContact CG2-CZ 3.9Å; I17-L75 HydrophobicContact CG2-CD1 4.35Å; I17-L75 HydrophobicContact CG2-CD2 3.68Å; I17-L78 HydrophobicContact CG2-CD1 3.69Å
18N95.7Very high96.3Very high81 Ų8155.6 Ų55.643%0.43327%0.271SS..  trans-72.4170.6174.768.930.2000112.1Y20 H21 F22N18-Y20 VanDerWaalsContact C-N 3.29Å; N18-Y20 PolarHBondContact O-N 3.03Å; N18-Y20 PolarHBondContact OD1-N 3.36Å; N18-H21 PolarHBondContact ND2-ND1 3.29Å; N18-H21 PolarHBondContact O-N 3.32Å; N18-H21 WeakPolarHBondContact OD1-CB 3.39Å; N18-H21 VanDerWaalsContact OD1-CG 3.27Å; N18-H21 PolarHBondContact OD1-N 2.88Å; N18-H21 PolarHBondContact OD1-ND1 3.33Å; N18-F22 WeakPolarHBondContact O-CB 3.47Å; N18-F22 PolarHBondContact O-N 3.44Å
19D95.9Very high96.2Very high119 Ų11954.9 Ų54.964%0.63627%0.268SS*.Hα-helixtrans-65.3-31.2-175.9-62.2-21.3000113.5R23D19-R23 WeakPolarHBondContact O-CB 3.26Å; D19-R23 PolarHBondContact O-N 3.04Å
20Y96.1Very high96.1Very high135 Ų13555.5 Ų55.553%0.52927%0.272SS..Hα-helixtrans-64.8-53.3176.3173-100.5000111N18 F22 R23 M24N18-Y20 VanDerWaalsContact C-N 3.29Å; N18-Y20 PolarHBondContact O-N 3.03Å; N18-Y20 PolarHBondContact OD1-N 3.36Å; Y20-F22 VanDerWaalsContact C-N 3.3Å; Y20-F22 PolarHBondContact O-N 3.5Å; Y20-R23 PolarHBondContact O-N 3.03Å; Y20-M24 HydrophobicContact CE1-CE 4.47Å; Y20-M24 PolarHBondContact O-N 2.9Å
21H96.6Very high96Very high27 Ų2761 Ų6113%0.12530%0.301CS..Hα-helixtrans-62.9-39.3176.6-65.9148.7000111I17 N18 R23 M24 V25 T74 L75I17-H21 HydrophobicContact CB-CB 4.08Å; I17-H21 HydrophobicContact CD1-CB 4.39Å; N18-H21 PolarHBondContact ND2-ND1 3.29Å; N18-H21 PolarHBondContact O-N 3.32Å; N18-H21 WeakPolarHBondContact OD1-CB 3.39Å; N18-H21 VanDerWaalsContact OD1-CG 3.27Å; N18-H21 PolarHBondContact OD1-N 2.88Å; N18-H21 PolarHBondContact OD1-ND1 3.33Å; H21-R23 PolarHBondContact O-N 2.97Å; H21-M24 WeakPolarHBondContact O-CB 3.39Å; H21-M24 PolarHBondContact O-N 3.19Å; H21-V25 VanDerWaalsContact O-CG2 3.26Å; H21-V25 WeakPolarHBondContact O-CG2 3.48Å; H21-V25 PolarHBondContact O-N 2.99Å; H21-T74 PolarHBondContact CE1-OG1 3.03Å; H21-T74 PolarHBondContact NE2-OG1 3.47Å; H21-L75 HydrophobicContact CB-CD1 4.23Å; H21-L75 HydrophobicContact CB-CD2 4.46Å
22F96.9Very high95.8Very high12 Ų1258.9 Ų58.95%0.05329%0.291CS..Hα-helixtrans-62.5-43.4176.7-178.8-123000112L14 I17 N18 Y20 M24 V25 K26 K45 I48L14-F22 HydrophobicContact CD1-CE2 4.45Å; L14-F22 HydrophobicContact CD2-CD2 4.21Å; L14-F22 HydrophobicContact CD2-CE2 4.18Å; I17-F22 HydrophobicContact CD1-CB 3.95Å; I17-F22 HydrophobicContact CD1-CD2 4.22Å; I17-F22 HydrophobicContact CG1-CB 4.25Å; N18-F22 WeakPolarHBondContact O-CB 3.47Å; N18-F22 PolarHBondContact O-N 3.44Å; Y20-F22 VanDerWaalsContact C-N 3.3Å; Y20-F22 PolarHBondContact O-N 3.5Å; F22-M24 VanDerWaalsContact C-N 3.3Å; F22-M24 PolarHBondContact O-N 2.94Å; F22-V25 PolarHBondContact O-N 3.29Å; F22-K26 HydrophobicContact CD1-CD 4.35Å; F22-K26 HydrophobicContact CD2-CG 4.43Å; F22-K26 HydrophobicContact CE1-CD 3.71Å; F22-K26 VanDerWaalsContact CE1-CE 3.43Å; F22-K26 HydrophobicContact CE1-CG 4.19Å; F22-K26 HydrophobicContact CE2-CD 4.36Å; F22-K26 HydrophobicContact CE2-CG 4Å; F22-K26 HydrophobicContact CZ-CD 3.7Å; F22-K26 HydrophobicContact CZ-CG 3.86Å; F22-K26 WeakPolarHBondContact O-CG 3.41Å; F22-K26 PolarHBondContact O-N 3Å; F22-K45 HydrophobicContact CD1-CG 4.03Å; F22-K45 HydrophobicContact CD2-CG 3.95Å; F22-K45 HydrophobicContact CE1-CG 3.84Å; F22-K45 HydrophobicContact CE2-CB 4.31Å; F22-K45 HydrophobicContact CE2-CG 3.77Å; F22-K45 HydrophobicContact CG-CG 4.1Å; F22-K45 HydrophobicContact CZ-CB 4.19Å; F22-K45 HydrophobicContact CZ-CG 3.71Å; F22-I48 HydrophobicContact CE2-CB 4.31Å; F22-I48 HydrophobicContact CE2-CG1 4.19Å; F22-I48 HydrophobicContact CE2-CG2 4.47Å; F22-I48 HydrophobicContact CZ-CB 4.26Å; F22-I48 HydrophobicContact CZ-CG1 3.79Å
23R96.1Very high95.7Very high137 Ų13754 Ų5452%0.51727%0.269SS..Hα-helixtrans-60.8-39.6173.7-177.6170.161.7-103.27.5112.1D19 Y20 H21 K26 S27D19-R23 WeakPolarHBondContact O-CB 3.26Å; D19-R23 PolarHBondContact O-N 3.04Å; Y20-R23 PolarHBondContact O-N 3.03Å; H21-R23 PolarHBondContact O-N 2.97Å; R23-K26 PolarHBondContact O-N 3.46Å; R23-S27 PolarHBondContact O-N 3.26Å
24M95.8Very high95.6Very high54 Ų5462 Ų6227%0.26630%0.304SS..Hα-helixtrans-64-46.9175.9-168.5159.765.500111.6Y20 H21 F22 K26 S27 L28 I72Y20-M24 HydrophobicContact CE1-CE 4.47Å; Y20-M24 PolarHBondContact O-N 2.9Å; H21-M24 WeakPolarHBondContact O-CB 3.39Å; H21-M24 PolarHBondContact O-N 3.19Å; F22-M24 VanDerWaalsContact C-N 3.3Å; F22-M24 PolarHBondContact O-N 2.94Å; M24-K26 PolarHBondContact O-N 3.08Å; M24-S27 WeakPolarHBondContact O-CB 3.31Å; M24-S27 PolarHBondContact O-N 3.27Å; M24-S27 VanDerWaalsContact O-N 3.09Å; M24-L28 HydrophobicContact CG-CD1 4.29Å; M24-L28 WeakPolarHBondContact O-CG 3.4Å; M24-L28 PolarHBondContact O-N 3.26Å; M24-I72 HydrophobicContact CE-CB 4.44Å; M24-I72 HydrophobicContact CE-CD1 3.62Å; M24-I72 HydrophobicContact CE-CG1 3.81Å; M24-I72 HydrophobicContact CE-CG2 3.72Å
25V96.1Very high95.5Very high0 Ų062.6 Ų62.60%031%0.307CS..Hα-helixtrans-59.7-44.9175.1171.60000111.2L14 I17 H21 F22 S27 L28 L29 L65 I68 F69L14-V25 HydrophobicContact CD2-CG1 4.18Å; I17-V25 HydrophobicContact CD1-CG2 4.07Å; H21-V25 VanDerWaalsContact O-CG2 3.26Å; H21-V25 WeakPolarHBondContact O-CG2 3.48Å; H21-V25 PolarHBondContact O-N 2.99Å; F22-V25 PolarHBondContact O-N 3.29Å; V25-S27 VanDerWaalsContact C-N 3.26Å; V25-S27 PolarHBondContact O-N 3.13Å; V25-L28 PolarHBondContact O-N 2.99Å; V25-L29 HydrophobicContact CG1-CD1 3.68Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 2.97Å; V25-L29 WeakPolarHBondContact O-CG 3.42Å; V25-L29 PolarHBondContact O-N 2.96Å; V25-L65 HydrophobicContact CG1-CD1 3.99Å; V25-I68 HydrophobicContact CG2-CG2 4.05Å; V25-F69 HydrophobicContact CG2-CD1 4.41Å; V25-F69 HydrophobicContact CG2-CE1 3.79Å
26K95.5Very high95.3Very high18 Ų1862.6 Ų62.68%0.07831%0.311CS..Hα-helixtrans-56.3-41.9173.8-76.3-164.5-76-176.60111.7F22 R23 M24 S30 R40 E41 Y43 I48F22-K26 HydrophobicContact CD1-CD 4.35Å; F22-K26 HydrophobicContact CD2-CG 4.43Å; F22-K26 HydrophobicContact CE1-CD 3.71Å; F22-K26 VanDerWaalsContact CE1-CE 3.43Å; F22-K26 HydrophobicContact CE1-CG 4.19Å; F22-K26 HydrophobicContact CE2-CD 4.36Å; F22-K26 HydrophobicContact CE2-CG 4Å; F22-K26 HydrophobicContact CZ-CD 3.7Å; F22-K26 HydrophobicContact CZ-CG 3.86Å; F22-K26 WeakPolarHBondContact O-CG 3.41Å; F22-K26 PolarHBondContact O-N 3Å; R23-K26 PolarHBondContact O-N 3.46Å; M24-K26 PolarHBondContact O-N 3.08Å; K26-S30 PolarHBondContact O-N 3.09Å; K26-S30 VanDerWaalsContact O-N 3.17Å; K26-R40 HydrophobicContact CB-CG 4.07Å; K26-R40 WeakPolarHBondContact CD-O 3.48Å; K26-R40 WeakPolarHBondContact CE-O 3.42Å; K26-R40 PolarHBondContact NZ-O 3.41Å; K26-E41 PolarHBondContact NZ-O 3.15Å; K26-Y43 PolarHBondContact NZ-O 3.4Å; K26-I48 HydrophobicContact CD-CD1 4.17Å; K26-I48 HydrophobicContact CD-CG1 4.07Å; K26-I48 HydrophobicContact CG-CD1 4.12Å; K26-I48 HydrophobicContact CG-CG1 4.08Å
27S94.9Very high95.1Very high49 Ų4965.1 Ų65.134%0.34332%0.321SS..Hα-helixtrans-65.5-44.7177.4-1650000112R23 M24 V25 L29 S30 R40R23-S27 PolarHBondContact O-N 3.26Å; M24-S27 WeakPolarHBondContact O-CB 3.31Å; M24-S27 PolarHBondContact O-N 3.27Å; M24-S27 VanDerWaalsContact O-N 3.09Å; V25-S27 VanDerWaalsContact C-N 3.26Å; V25-S27 PolarHBondContact O-N 3.13Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 3.34Å; S27-S30 VanDerWaalsContact O-CB 3.23Å; S27-S30 WeakPolarHBondContact O-CB 3.18Å; S27-S30 PolarHBondContact O-N 3Å; S27-S30 PolarHBondContact O-OG 3.43Å; S27-R40 PolarHBondContact OG-NH1 2.96Å
28L95.9Very high94.9Very high88 Ų8873 Ų7346%0.46136%0.355SS..Hα-helixtrans-67.8-32.9-180-67.5171000112.7M24 V25 S30 I68 I72M24-L28 HydrophobicContact CG-CD1 4.29Å; M24-L28 WeakPolarHBondContact O-CG 3.4Å; M24-L28 PolarHBondContact O-N 3.26Å; V25-L28 PolarHBondContact O-N 2.99Å; L28-S30 VanDerWaalsContact C-N 3.31Å; L28-I68 HydrophobicContact CB-CD1 4.18Å; L28-I68 HydrophobicContact CB-CG1 4.47Å; L28-I68 HydrophobicContact CB-CG2 4.48Å; L28-I68 HydrophobicContact CD1-CG2 3.65Å; L28-I72 HydrophobicContact CD1-CD1 4.3Å
29L95.4Very high94.7Very high0 Ų070.9 Ų70.90%034%0.343CS..THydrogen-bonded Turntrans-82.5-4.9175.4-70.9173.8000113.9V25 S27 N31 D32 L33 M52 K64 I68V25-L29 HydrophobicContact CG1-CD1 3.68Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 2.97Å; V25-L29 WeakPolarHBondContact O-CG 3.42Å; V25-L29 PolarHBondContact O-N 2.96Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 3.34Å; L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 3.26Å; L29-D32 PolarHBondContact O-N 3.49Å; L29-D32 VanDerWaalsContact O-N 3.14Å; L29-L33 HydrophobicContact CB-CD1 3.91Å; L29-L33 HydrophobicContact CB-CG 4.16Å; L29-L33 HydrophobicContact CD1-CD1 4.16Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 PolarHBondContact O-N 3.02Å; L29-M52 HydrophobicContact CD1-CE 4.25Å; L29-M52 HydrophobicContact CD1-SD 3.81Å; L29-K64 HydrophobicContact CD2-CG 3.8Å; L29-I68 HydrophobicContact CD1-CD1 4.45Å; L29-I68 HydrophobicContact CD2-CD1 3.42Å; L29-I68 VanDerWaalsContact CD2-CD1 3.42Å; L29-I68 HydrophobicContact CG-CD1 3.63Å
30S95.1Very high94.4Very high13 Ų1368.7 Ų68.79%0.09133%0.326CS..Hα-helixtrans-58.2-39.5-169.960.80000113.6K26 S27 L28 K34 L35 R40K26-S30 PolarHBondContact O-N 3.09Å; K26-S30 VanDerWaalsContact O-N 3.17Å; S27-S30 VanDerWaalsContact O-CB 3.23Å; S27-S30 WeakPolarHBondContact O-CB 3.18Å; S27-S30 PolarHBondContact O-N 3Å; S27-S30 PolarHBondContact O-OG 3.43Å; L28-S30 VanDerWaalsContact C-N 3.31Å; S30-K34 CarbonylContact O-C 3.56Å; S30-K34 WeakPolarHBondContact O-CA 3.48Å; S30-K34 PolarHBondContact O-N 3.39Å; S30-L35 PolarHBondContact O-N 3.49Å; S30-R40 VanDerWaalsContact CB-NH2 3.3Å; S30-R40 PolarHBondContact OG-NH2 3.22Å
31N93.6Very high94.2Very high141 Ų14170.2 Ų70.275%0.75434%0.338SS*.Hα-helixtrans-72.6-42.2177.9-68.7-34.2000112L29 K34L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 3.26Å; N31-K34 PolarHBondContact O-N 3.04Å
32D93.6Very high94.1Very high58 Ų5876.2 Ų76.231%0.3137%0.366SS..Hα-helixtrans-68.8-38.7-177.9-59.6-74.1000112.2L29 F56 K64L29-D32 PolarHBondContact O-N 3.49Å; L29-D32 VanDerWaalsContact O-N 3.14Å; D32-F56 HydrophobicContact CB-CZ 3.77Å; D32-K64 IonicContact OD1-NZ 2.78Å; D32-K64 PolarHBondContact OD1-NZ 2.95Å; D32-K64 WeakPolarHBondContact OD2-CE 3.4Å; D32-K64 IonicContact OD2-NZ 3.33Å; D32-K64 PolarHBondContact OD2-NZ 3.28Å
33L94.8Very high94.1Very high3 Ų378.6 Ų78.62%0.01638%0.375CS..Hα-helixtrans-92.1-3.2-179.9-62.1-175.1000113L29 L35 I48 L51 M52 K55 F56L29-L33 HydrophobicContact CB-CD1 3.91Å; L29-L33 HydrophobicContact CB-CG 4.16Å; L29-L33 HydrophobicContact CD1-CD1 4.16Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 PolarHBondContact O-N 3.02Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 HydrophobicContact CB-CD1 4.45Å; L33-L35 HydrophobicContact CB-CD2 3.94Å; L33-L35 HydrophobicContact CB-CG 3.84Å; L33-L35 PolarHBondContact O-N 3.48Å; L33-I48 HydrophobicContact CD1-CG2 4.26Å; L33-L51 HydrophobicContact CB-CD2 3.87Å; L33-L51 HydrophobicContact CB-CG 4.4Å; L33-L51 HydrophobicContact CD1-CD2 4.27Å; L33-L51 HydrophobicContact CD2-CG 4.3Å; L33-L51 HydrophobicContact CG-CD2 4.48Å; L33-M52 HydrophobicContact CD1-CG 3.8Å; L33-M52 HydrophobicContact CD2-CG 3.98Å; L33-M52 HydrophobicContact CG-CG 4.47Å; L33-K55 HydrophobicContact CD2-CB 3.99Å; L33-K55 HydrophobicContact CD2-CG 3.87Å; L33-F56 HydrophobicContact CD2-CD2 4.3Å; L33-F56 HydrophobicContact CD2-CE2 3.69Å; L33-F56 HydrophobicContact CD2-CZ 4.5Å
34K94.1Very high94.1Very high168 Ų16875.6 Ų75.673%0.7337%0.369SS*.THydrogen-bonded Turntrans51.846.8-174.5-57.7-178.5178.7-177.50112.2S30 N31 N36S30-K34 CarbonylContact O-C 3.56Å; S30-K34 WeakPolarHBondContact O-CA 3.48Å; S30-K34 PolarHBondContact O-N 3.39Å; N31-K34 PolarHBondContact O-N 3.04Å; K34-N36 PolarHBondContact O-N 3.28Å
35L94Very high94.2Very high13 Ų1374.6 Ų74.67%0.06836%0.363CS..  trans-73.7123.1-179.6-59.3179.2000110.7S30 L33 M39 Y43 I48 L51S30-L35 PolarHBondContact O-N 3.49Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 HydrophobicContact CB-CD1 4.45Å; L33-L35 HydrophobicContact CB-CD2 3.94Å; L33-L35 HydrophobicContact CB-CG 3.84Å; L33-L35 PolarHBondContact O-N 3.48Å; L35-M39 HydrophobicContact CD2-CB 4.32Å; L35-M39 HydrophobicContact CD2-CE 4.15Å; L35-Y43 HydrophobicContact CD2-CD2 4.49Å; L35-I48 HydrophobicContact CD1-CD1 3.93Å; L35-I48 HydrophobicContact CD2-CD1 4.15Å; L35-L51 HydrophobicContact CD2-CD2 3.48Å; L35-L51 VanDerWaalsContact CD2-CD2 3.48Å
36N92.8Very high94.2Very high110 Ų11078.9 Ų78.959%0.58839%0.385SS*.  trans-72163.4166.8-64.4-53.6000110.9K34 K38 M39 R40K34-N36 PolarHBondContact O-N 3.28Å; N36-K38 VanDerWaalsContact C-N 3.29Å; N36-K38 PolarHBondContact O-N 3.14Å; N36-M39 HydrophobicContact CB-CG 4.22Å; N36-M39 HydrophobicContact CB-SD 3.98Å; N36-M39 PolarHBondContact O-N 3.37Å; N36-M39 VanDerWaalsContact O-N 3.1Å; N36-R40 PolarHBondContact O-N 2.93Å
37L91.9Very high94.3Very high137 Ų13781.7 Ų81.772%0.71740%0.398SS*.Hα-helixtrans-54.4-46178.9-164.880.7000111.7M39 R40 E41L37-M39 PolarHBondContact O-N 3.01Å; L37-R40 WeakPolarHBondContact O-CB 3.39Å; L37-R40 PolarHBondContact O-N 3.27Å; L37-E41 PolarHBondContact O-N 3.4Å
38K91.7Very high94.4Very high170 Ų17079.4 Ų79.474%0.73938%0.382SS*.Hα-helixtrans-58.8-45.9176.7-64.1-174.3176.9-176.50112.4N36 R40 E41 E42N36-K38 VanDerWaalsContact C-N 3.29Å; N36-K38 PolarHBondContact O-N 3.14Å; K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 2.86Å; K38-E41 PolarHBondContact O-N 2.88Å; K38-E42 WeakPolarHBondContact O-CB 3.31Å; K38-E42 PolarHBondContact O-N 3.47Å
39M91.2Very high94.4Very high36 Ų3675.2 Ų75.218%0.17736%0.36CS..Hα-helixtrans-65.4-35.9179.9-61.6167.57800111.5L35 N36 L37 E41 Y43 L51L35-M39 HydrophobicContact CD2-CB 4.32Å; L35-M39 HydrophobicContact CD2-CE 4.15Å; N36-M39 HydrophobicContact CB-CG 4.22Å; N36-M39 HydrophobicContact CB-SD 3.98Å; N36-M39 PolarHBondContact O-N 3.37Å; N36-M39 VanDerWaalsContact O-N 3.1Å; L37-M39 PolarHBondContact O-N 3.01Å; M39-E41 PolarHBondContact O-N 3.19Å; M39-Y43 HydrophobicContact CB-CD1 4.04Å; M39-Y43 HydrophobicContact CB-CD2 4.34Å; M39-Y43 HydrophobicContact CB-CE1 4.03Å; M39-Y43 HydrophobicContact CB-CE2 4.33Å; M39-Y43 HydrophobicContact CB-CG 4.22Å; M39-Y43 HydrophobicContact CE-CD2 4.33Å; M39-Y43 HydrophobicContact CE-CE1 4.34Å; M39-Y43 HydrophobicContact CE-CE2 3.39Å; M39-Y43 VanDerWaalsContact CE-CZ 3.41Å; M39-Y43 VanDerWaalsContact CE-OH 3.27Å; M39-Y43 WeakPolarHBondContact CE-OH 3.27Å; M39-Y43 HydrophobicContact CG-CD1 4.42Å; M39-Y43 HydrophobicContact CG-CE1 3.9Å; M39-Y43 HydrophobicContact CG-CE2 4.43Å; M39-Y43 WeakPolarHBondContact O-CB 3.23Å; M39-Y43 PolarHBondContact O-N 3.22Å; M39-L51 HydrophobicContact CE-CD2 4.41Å
40R91.1Very high94.5Very high74 Ų7478.5 Ų78.528%0.27938%0.378SS..Hα-helixtrans-63.6-33.7177.8-167.4-174.6-58-174.43.2112K26 S27 S30 N36 L37 K38K26-R40 HydrophobicContact CB-CG 4.07Å; K26-R40 WeakPolarHBondContact CD-O 3.48Å; K26-R40 WeakPolarHBondContact CE-O 3.42Å; K26-R40 PolarHBondContact NZ-O 3.41Å; S27-R40 PolarHBondContact OG-NH1 2.96Å; S30-R40 VanDerWaalsContact CB-NH2 3.3Å; S30-R40 PolarHBondContact OG-NH2 3.22Å; N36-R40 PolarHBondContact O-N 2.93Å; L37-R40 WeakPolarHBondContact O-CB 3.39Å; L37-R40 PolarHBondContact O-N 3.27Å; K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 2.86Å
41E91.4Very high94.5Very high166 Ų16678.8 Ų78.878%0.77638%0.378SS*.Hα-helixtrans-81.6-49.2180-166.5155.3-148.900111.2K26 L37 K38 M39K26-E41 PolarHBondContact NZ-O 3.15Å; L37-E41 PolarHBondContact O-N 3.4Å; K38-E41 PolarHBondContact O-N 2.88Å; M39-E41 PolarHBondContact O-N 3.19Å
42E94Very high94.7Very high153 Ų15372 Ų7272%0.71534%0.343SS*.Hα-helixtrans-82.9-28.1-170.1-162.4165.7-134.900113.8K38 D44K38-E42 WeakPolarHBondContact O-CB 3.31Å; K38-E42 PolarHBondContact O-N 3.47Å; E42-D44 PolarHBondContact O-N 3.42Å
43Y97.1Very high94.8Very high62 Ų6271.7 Ų71.724%0.24334%0.339CS..  trans-71.6129.2-173.9-77.118.2000112.1K26 L35 M39 Q47 I48 L51K26-Y43 PolarHBondContact NZ-O 3.4Å; L35-Y43 HydrophobicContact CD2-CD2 4.49Å; M39-Y43 HydrophobicContact CB-CD1 4.04Å; M39-Y43 HydrophobicContact CB-CD2 4.34Å; M39-Y43 HydrophobicContact CB-CE1 4.03Å; M39-Y43 HydrophobicContact CB-CE2 4.33Å; M39-Y43 HydrophobicContact CB-CG 4.22Å; M39-Y43 HydrophobicContact CE-CD2 4.33Å; M39-Y43 HydrophobicContact CE-CE1 4.34Å; M39-Y43 HydrophobicContact CE-CE2 3.39Å; M39-Y43 VanDerWaalsContact CE-CZ 3.41Å; M39-Y43 VanDerWaalsContact CE-OH 3.27Å; M39-Y43 WeakPolarHBondContact CE-OH 3.27Å; M39-Y43 HydrophobicContact CG-CD1 4.42Å; M39-Y43 HydrophobicContact CG-CE1 3.9Å; M39-Y43 HydrophobicContact CG-CE2 4.43Å; M39-Y43 WeakPolarHBondContact O-CB 3.23Å; M39-Y43 PolarHBondContact O-N 3.22Å; Y43-Q47 VanDerWaalsContact CA-OE1 3.28Å; Y43-Q47 HydrophobicContact CD2-CB 4.04Å; Y43-Q47 HydrophobicContact CG-CB 4.15Å; Y43-I48 HydrophobicContact CD2-CD1 4.03Å; Y43-I48 HydrophobicContact CG-CD1 4.5Å; Y43-L51 HydrophobicContact CE2-CD2 4.32Å
44D96.2Very high94.7Very high74 Ų7477 Ų7740%0.39636%0.364SS..  trans-83.7177.1173.972.520.5000112.2E42 I46 Q47 I48E42-D44 PolarHBondContact O-N 3.42Å; D44-I46 PolarHBondContact O-N 3.19Å; D44-I46 WeakPolarHBondContact OD1-CA 3.35Å; D44-I46 WeakPolarHBondContact OD1-CB 3.4Å; D44-I46 PolarHBondContact OD1-N 2.96Å; D44-Q47 PolarHBondContact O-N 3.04Å; D44-Q47 WeakPolarHBondContact OD1-CB 3.42Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.25Å; D44-Q47 PolarHBondContact OD1-N 3.33Å; D44-I48 WeakPolarHBondContact O-CG1 3.44Å; D44-I48 PolarHBondContact O-N 2.88Å
45K97.3Very high94.8Very high33 Ų3373.4 Ų73.414%0.14335%0.348CS..Hα-helixtrans-61.8-33.4-178.8-65.7171.2172.1-1730112.2L10 L14 E15 I17 F22 A49L10-K45 HydrophobicContact CD1-CB 4.12Å; L14-K45 HydrophobicContact CB-CB 4.14Å; L14-K45 HydrophobicContact CB-CG 4.3Å; L14-K45 WeakPolarHBondContact CD1-O 3.38Å; L14-K45 WeakPolarHBondContact O-CD 3.47Å; L14-K45 WeakPolarHBondContact O-CE 3.3Å; L14-K45 PolarHBondContact O-NZ 3.34Å; L14-K45 VanDerWaalsContact O-NZ 3.13Å; E15-K45 PolarHBondContact O-NZ 3.38Å; I17-K45 PolarHBondContact O-NZ 3.42Å; F22-K45 HydrophobicContact CD1-CG 4.03Å; F22-K45 HydrophobicContact CD2-CG 3.95Å; F22-K45 HydrophobicContact CE1-CG 3.84Å; F22-K45 HydrophobicContact CE2-CB 4.31Å; F22-K45 HydrophobicContact CE2-CG 3.77Å; F22-K45 HydrophobicContact CG-CG 4.1Å; F22-K45 HydrophobicContact CZ-CB 4.19Å; F22-K45 HydrophobicContact CZ-CG 3.71Å; K45-A49 WeakPolarHBondContact O-CB 3.21Å; K45-A49 PolarHBondContact O-N 3.05Å; K45-A49 VanDerWaalsContact O-N 3.08Å
46I97Very high94.8Very high90 Ų9075.1 Ų75.146%0.46236%0.355SS..Hα-helixtrans-72.4-49.1-177.8-58174000109.4L10 D44 I48 A49 D50L10-I46 HydrophobicContact CD1-CG1 4.25Å; L10-I46 HydrophobicContact CD2-CG1 4.29Å; D44-I46 PolarHBondContact O-N 3.19Å; D44-I46 WeakPolarHBondContact OD1-CA 3.35Å; D44-I46 WeakPolarHBondContact OD1-CB 3.4Å; D44-I46 PolarHBondContact OD1-N 2.96Å; I46-I48 VanDerWaalsContact C-N 3.32Å; I46-I48 PolarHBondContact O-N 3.47Å; I46-A49 WeakPolarHBondContact O-CB 3.44Å; I46-A49 PolarHBondContact O-N 2.89Å; I46-A49 VanDerWaalsContact O-N 3.08Å; I46-D50 PolarHBondContact O-N 3.2Å
47Q96.9Very high94.7Very high77 Ų7780.3 Ų80.336%0.3637%0.367SS..Hα-helixtrans-61.8-39.2178.3-69.7176.7-40.500111.9Y43 D44 D50 L51Y43-Q47 VanDerWaalsContact CA-OE1 3.28Å; Y43-Q47 HydrophobicContact CD2-CB 4.04Å; Y43-Q47 HydrophobicContact CG-CB 4.15Å; D44-Q47 PolarHBondContact O-N 3.04Å; D44-Q47 WeakPolarHBondContact OD1-CB 3.42Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.25Å; D44-Q47 PolarHBondContact OD1-N 3.33Å; Q47-D50 PolarHBondContact O-N 3.2Å; Q47-L51 WeakPolarHBondContact O-CB 3.47Å; Q47-L51 PolarHBondContact O-N 3.19Å
48I97.4Very high94.6Very high1 Ų176.9 Ų76.91%0.00536%0.364CS..Hα-helixtrans-64.9-42.3173.5-66.6-65.4000111L14 F22 K26 L33 L35 Y43 D44 I46 L51 M52L14-I48 HydrophobicContact CD1-CB 4.27Å; L14-I48 HydrophobicContact CD1-CG2 3.91Å; F22-I48 HydrophobicContact CE2-CB 4.31Å; F22-I48 HydrophobicContact CE2-CG1 4.19Å; F22-I48 HydrophobicContact CE2-CG2 4.47Å; F22-I48 HydrophobicContact CZ-CB 4.26Å; F22-I48 HydrophobicContact CZ-CG1 3.79Å; K26-I48 HydrophobicContact CD-CD1 4.17Å; K26-I48 HydrophobicContact CD-CG1 4.07Å; K26-I48 HydrophobicContact CG-CD1 4.12Å; K26-I48 HydrophobicContact CG-CG1 4.08Å; L33-I48 HydrophobicContact CD1-CG2 4.26Å; L35-I48 HydrophobicContact CD1-CD1 3.93Å; L35-I48 HydrophobicContact CD2-CD1 4.15Å; Y43-I48 HydrophobicContact CD2-CD1 4.03Å; Y43-I48 HydrophobicContact CG-CD1 4.5Å; D44-I48 WeakPolarHBondContact O-CG1 3.44Å; D44-I48 PolarHBondContact O-N 2.88Å; I46-I48 VanDerWaalsContact C-N 3.32Å; I46-I48 PolarHBondContact O-N 3.47Å; I48-L51 PolarHBondContact O-N 2.65Å; I48-M52 HydrophobicContact CG2-CG 4.37Å; I48-M52 HydrophobicContact CG2-SD 4.16Å; I48-M52 WeakPolarHBondContact O-CB 3.25Å; I48-M52 VanDerWaalsContact O-CG 3.25Å; I48-M52 WeakPolarHBondContact O-CG 3.39Å; I48-M52 PolarHBondContact O-N 3.03Å
49A97.1Very high94.7Very high0 Ų070.5 Ų70.50%034%0.338CS..Hα-helixtrans-64-40.3176.700000112.6V9 L10 L14 K45 I46 M52 E53V9-A49 HydrophobicContact CG1-CB 4.28Å; L10-A49 HydrophobicContact CB-CB 3.97Å; L10-A49 HydrophobicContact CD1-CB 4.19Å; L10-A49 HydrophobicContact CG-CB 4.5Å; L14-A49 HydrophobicContact CD1-CB 4.14Å; K45-A49 WeakPolarHBondContact O-CB 3.21Å; K45-A49 PolarHBondContact O-N 3.05Å; K45-A49 VanDerWaalsContact O-N 3.08Å; I46-A49 WeakPolarHBondContact O-CB 3.44Å; I46-A49 PolarHBondContact O-N 2.89Å; I46-A49 VanDerWaalsContact O-N 3.08Å; A49-M52 PolarHBondContact O-N 3.17Å; A49-E53 PolarHBondContact O-N 3.22Å
50D96.3Very high94.9Very high69 Ų6968.8 Ų68.837%0.36933%0.33SS..Hα-helixtrans-59.7-47.3174.1-71.3-11.1000110.9K6 I46 Q47 M52 E53 E54K6-D50 WeakPolarHBondContact CE-OD1 2.76Å; K6-D50 IonicContact NZ-OD1 2.59Å; K6-D50 PolarHBondContact NZ-OD1 2.94Å; I46-D50 PolarHBondContact O-N 3.2Å; Q47-D50 PolarHBondContact O-N 3.2Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3.46Å; D50-E53 PolarHBondContact O-N 2.86Å; D50-E54 PolarHBondContact O-N 2.89Å
51L96.1Very high95.1Very high19 Ų1965.3 Ų65.310%0.09932%0.316CS..Hα-helixtrans-66.3-37.1179.5-169.263.4000112L33 L35 M39 Y43 Q47 I48 E54 K55L33-L51 HydrophobicContact CB-CD2 3.87Å; L33-L51 HydrophobicContact CB-CG 4.4Å; L33-L51 HydrophobicContact CD1-CD2 4.27Å; L33-L51 HydrophobicContact CD2-CG 4.3Å; L33-L51 HydrophobicContact CG-CD2 4.48Å; L35-L51 HydrophobicContact CD2-CD2 3.48Å; L35-L51 VanDerWaalsContact CD2-CD2 3.48Å; M39-L51 HydrophobicContact CE-CD2 4.41Å; Y43-L51 HydrophobicContact CE2-CD2 4.32Å; Q47-L51 WeakPolarHBondContact O-CB 3.47Å; Q47-L51 PolarHBondContact O-N 3.19Å; I48-L51 PolarHBondContact O-N 2.65Å; L51-E54 PolarHBondContact O-N 3.34Å; L51-K55 HydrophobicContact CD1-CG 4.43Å; L51-K55 HydrophobicContact CG-CG 4.45Å; L51-K55 WeakPolarHBondContact O-CG 3.44Å; L51-K55 PolarHBondContact O-N 3.09Å
52M96.1Very high95.3Very high0 Ų057.4 Ų57.40%028%0.279CS..Hα-helixtrans-64.1-40.2173.6-72.5-176.774.300112V9 L29 L33 I48 A49 D50 E54 F56 A60 G61 L65V9-M52 HydrophobicContact CG1-CE 4.43Å; V9-M52 HydrophobicContact CG1-SD 3.99Å; L29-M52 HydrophobicContact CD1-CE 4.25Å; L29-M52 HydrophobicContact CD1-SD 3.81Å; L33-M52 HydrophobicContact CD1-CG 3.8Å; L33-M52 HydrophobicContact CD2-CG 3.98Å; L33-M52 HydrophobicContact CG-CG 4.47Å; I48-M52 HydrophobicContact CG2-CG 4.37Å; I48-M52 HydrophobicContact CG2-SD 4.16Å; I48-M52 WeakPolarHBondContact O-CB 3.25Å; I48-M52 VanDerWaalsContact O-CG 3.25Å; I48-M52 WeakPolarHBondContact O-CG 3.39Å; I48-M52 PolarHBondContact O-N 3.03Å; A49-M52 PolarHBondContact O-N 3.17Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3.46Å; M52-E54 VanDerWaalsContact C-N 3.31Å; M52-E54 PolarHBondContact O-N 3.3Å; M52-F56 HydrophobicContact CB-CD2 4.26Å; M52-F56 HydrophobicContact CE-CE2 4.49Å; M52-F56 HydrophobicContact CG-CD2 4.5Å; M52-F56 HydrophobicContact CG-CE2 4.5Å; M52-F56 VanDerWaalsContact O-CB 3.31Å; M52-F56 WeakPolarHBondContact O-CB 3.46Å; M52-F56 WeakPolarHBondContact O-CD2 3.2Å; M52-F56 PolarHBondContact O-N 2.71Å; M52-A60 WeakPolarHBondContact CB-O 3.38Å; M52-G61 VanDerWaalsContact CE-O 3.31Å; M52-G61 WeakPolarHBondContact CE-O 3.34Å; M52-L65 HydrophobicContact CE-CB 4.22Å
53E95.8Very high95.4Very high50 Ų5051.3 Ų51.323%0.23426%0.258CS..Hα-helixtrans-61.2-40.9173.3-178.1178-141.500111.6G2 K3 K6 A49 D50 A60G2-E53 VanDerWaalsContact C-OE1 3.31Å; K3-E53 PolarHBondContact N-OE1 3.18Å; K6-E53 HydrophobicContact CB-CB 4.38Å; K6-E53 HydrophobicContact CD-CB 3.99Å; K6-E53 VanDerWaalsContact CD-CD 3.48Å; K6-E53 HydrophobicContact CD-CG 4.28Å; K6-E53 WeakPolarHBondContact CD-OE2 3.5Å; K6-E53 IonicContact NZ-OE2 3.08Å; K6-E53 PolarHBondContact NZ-OE2 2.94Å; K6-E53 VanDerWaalsContact NZ-OE2 3.08Å; A49-E53 PolarHBondContact O-N 3.22Å; D50-E53 PolarHBondContact O-N 2.86Å; E53-A60 HydrophobicContact CB-CB 4.21Å; E53-A60 HydrophobicContact CG-CB 4.48Å
54E94.5Very high95.4Very high114 Ų11451.8 Ų51.853%0.53326%0.262SS..Hα-helixtrans-66.8-47.4179.9-166.3-158.2124.300112.4D50 L51 M52D50-E54 PolarHBondContact O-N 2.89Å; L51-E54 PolarHBondContact O-N 3.34Å; M52-E54 VanDerWaalsContact C-N 3.31Å; M52-E54 PolarHBondContact O-N 3.3Å
55K94.9Very high95.4Very high93 Ų9348.3 Ų48.340%0.40424%0.243SC..Hα-helixtrans-77.3-34.5-176.8-61.4-49.1179.1-150.70112.9L33 L51L33-K55 HydrophobicContact CD2-CB 3.99Å; L33-K55 HydrophobicContact CD2-CG 3.87Å; L51-K55 HydrophobicContact CD1-CG 4.43Å; L51-K55 HydrophobicContact CG-CG 4.45Å; L51-K55 WeakPolarHBondContact O-CG 3.44Å; L51-K55 PolarHBondContact O-N 3.09Å
56F94.3Very high95.4Very high49 Ų4947.3 Ų47.322%0.21524%0.239CC..  trans-11472.1-175.7-56.3-71.6000111.6D32 L33 M52 G58 A60 G61 K64D32-F56 HydrophobicContact CB-CZ 3.77Å; L33-F56 HydrophobicContact CD2-CD2 4.3Å; L33-F56 HydrophobicContact CD2-CE2 3.69Å; L33-F56 HydrophobicContact CD2-CZ 4.5Å; M52-F56 HydrophobicContact CB-CD2 4.26Å; M52-F56 HydrophobicContact CE-CE2 4.49Å; M52-F56 HydrophobicContact CG-CD2 4.5Å; M52-F56 HydrophobicContact CG-CE2 4.5Å; M52-F56 VanDerWaalsContact O-CB 3.31Å; M52-F56 WeakPolarHBondContact O-CB 3.46Å; M52-F56 WeakPolarHBondContact O-CD2 3.2Å; M52-F56 PolarHBondContact O-N 2.71Å; F56-G58 PolarHBondContact O-N 3.18Å; F56-A60 WeakPolarHBondContact O-CA 3.49Å; F56-A60 PolarHBondContact O-N 2.89Å; F56-G61 VanDerWaalsContact CD2-CA 3.48Å; F56-K64 HydrophobicContact CZ-CB 4.4Å; F56-K64 HydrophobicContact CZ-CG 4.31Å
57R90.1Very high95.4Very high220 Ų22049 Ų4983%0.8324%0.243SC*.THydrogen-bonded Turntrans-57.7-20.2-173.7-64-175.6175.6-174-2.5115.7
58G90.1Very high95.4Very high64 Ų6445.9 Ų45.966%0.6623%0.228SC*.THydrogen-bonded Turntrans-75.9-57.9-177.800000114F56F56-G58 PolarHBondContact O-N 3.18Å
59D94.2Very high95.4Very high36 Ų3645.8 Ų45.819%0.19323%0.228CC..THydrogen-bonded Turntrans-128.722.4-175.873.6-12.9000113.4Y5 G61 L62 G63 K86Y5-D59 VanDerWaalsContact CB-O 3.27Å; Y5-D59 WeakPolarHBondContact CB-O 3.48Å; Y5-D59 HydrophobicContact CD2-CB 4.32Å; Y5-D59 HydrophobicContact CE2-CB 4.46Å; Y5-D59 HydrophobicContact CG-CB 4.38Å; D59-G61 PolarHBondContact O-N 3.38Å; D59-G61 PolarHBondContact OD1-N 3.3Å; D59-L62 HydrophobicContact CB-CB 4.47Å; D59-L62 WeakPolarHBondContact O-CB 3.26Å; D59-L62 PolarHBondContact O-N 3.1Å; D59-G63 WeakPolarHBondContact OD2-CA 3.12Å; D59-G63 PolarHBondContact OD2-N 3.43Å; D59-K86 IonicContact OD2-NZ 2.75Å; D59-K86 PolarHBondContact OD2-NZ 3.08Å
60A94.9Very high95.4Very high1 Ų149.7 Ų49.71%0.00825%0.246CC..THydrogen-bonded Turntrans51.427.2-176.100000113.4K6 M52 E53 F56 L62K6-A60 HydrophobicContact CB-CB 4.16Å; M52-A60 WeakPolarHBondContact CB-O 3.38Å; E53-A60 HydrophobicContact CB-CB 4.21Å; E53-A60 HydrophobicContact CG-CB 4.48Å; F56-A60 WeakPolarHBondContact O-CA 3.49Å; F56-A60 PolarHBondContact O-N 2.89Å; A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 PolarHBondContact O-N 3.28Å
61G95Very high95.3Very high0 Ų052.1 Ų52.10%026%0.259CS..THydrogen-bonded Turntrans79.38178.800000113.5M52 F56 D59 G63 K64 L65M52-G61 VanDerWaalsContact CE-O 3.31Å; M52-G61 WeakPolarHBondContact CE-O 3.34Å; F56-G61 VanDerWaalsContact CD2-CA 3.48Å; D59-G61 PolarHBondContact O-N 3.38Å; D59-G61 PolarHBondContact OD1-N 3.3Å; G61-G63 VanDerWaalsContact C-N 3.26Å; G61-G63 PolarHBondContact O-N 3.44Å; G61-K64 WeakPolarHBondContact O-CB 3.39Å; G61-K64 PolarHBondContact O-N 2.88Å; G61-L65 PolarHBondContact O-N 3Å
62L96.4Very high95.2Very high0 Ų051.8 Ų51.80%026%0.257CS..Hα-helixtrans-55.7-41178.8-179.857.6000112Y5 I8 V9 D59 A60 K64 L65 I66 L82 K86Y5-L62 HydrophobicContact CD1-CD2 3.67Å; Y5-L62 HydrophobicContact CE1-CD2 4.23Å; I8-L62 HydrophobicContact CB-CD2 4.49Å; I8-L62 HydrophobicContact CG2-CD1 3.84Å; I8-L62 HydrophobicContact CG2-CD2 4.03Å; V9-L62 HydrophobicContact CG2-CB 3.88Å; V9-L62 HydrophobicContact CG2-CD1 4.04Å; D59-L62 HydrophobicContact CB-CB 4.47Å; D59-L62 WeakPolarHBondContact O-CB 3.26Å; D59-L62 PolarHBondContact O-N 3.1Å; A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 PolarHBondContact O-N 3.28Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.46Å; L62-L65 PolarHBondContact O-N 3.23Å; L62-I66 HydrophobicContact CD1-CD1 4.22Å; L62-I66 HydrophobicContact CD1-CG1 4.36Å; L62-I66 HydrophobicContact CG-CD1 4.04Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.26Å; L62-I66 WeakPolarHBondContact O-CG1 3.43Å; L62-I66 PolarHBondContact O-N 3.47Å; L62-L82 HydrophobicContact CD1-CB 4.12Å; L62-L82 HydrophobicContact CD1-CD1 4.38Å; L62-L82 HydrophobicContact CD1-CD2 3.99Å; L62-L82 HydrophobicContact CD1-CG 4.4Å; L62-K86 HydrophobicContact CD2-CB 3.74Å; L62-K86 HydrophobicContact CD2-CD 4.14Å; L62-K86 HydrophobicContact CD2-CG 3.99Å; L62-K86 HydrophobicContact CG-CD 4.31Å
63G95.9Very high95.1Very high26 Ų2657 Ų5727%0.26829%0.292SS..Hα-helixtrans-62.7-38.7175.700000113.2D59 G61 K67D59-G63 WeakPolarHBondContact OD2-CA 3.12Å; D59-G63 PolarHBondContact OD2-N 3.43Å; G61-G63 VanDerWaalsContact C-N 3.26Å; G61-G63 PolarHBondContact O-N 3.44Å; G63-K67 PolarHBondContact O-N 2.9Å
64K96.2Very high95Very high72 Ų7259.2 Ų59.231%0.31331%0.309SS..Hα-helixtrans-68.2-42.8176.8-169.578.4-174.2-146.20110.9L29 D32 F56 G61 L62 K67 I68L29-K64 HydrophobicContact CD2-CG 3.8Å; D32-K64 IonicContact OD1-NZ 2.78Å; D32-K64 PolarHBondContact OD1-NZ 2.95Å; D32-K64 WeakPolarHBondContact OD2-CE 3.4Å; D32-K64 IonicContact OD2-NZ 3.33Å; D32-K64 PolarHBondContact OD2-NZ 3.28Å; F56-K64 HydrophobicContact CZ-CB 4.4Å; F56-K64 HydrophobicContact CZ-CG 4.31Å; G61-K64 WeakPolarHBondContact O-CB 3.39Å; G61-K64 PolarHBondContact O-N 2.88Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.46Å; K64-K67 PolarHBondContact O-N 3.37Å; K64-I68 HydrophobicContact CG-CD1 4.34Å; K64-I68 WeakPolarHBondContact O-CG1 3.19Å; K64-I68 PolarHBondContact O-N 3.03Å; K64-I68 VanDerWaalsContact O-N 3.09Å
65L96.9Very high95.1Very high0 Ų054 Ų540%028%0.284CS..Hα-helixtrans-62.2-43.5178.3-170.164.5000112V9 L14 V25 M52 G61 L62 K67 I68 F69 L82V9-L65 HydrophobicContact CB-CD2 4.45Å; V9-L65 HydrophobicContact CG1-CD2 4.12Å; V9-L65 HydrophobicContact CG2-CD2 4.37Å; L14-L65 HydrophobicContact CD2-CD1 4.01Å; L14-L65 HydrophobicContact CD2-CD2 4.46Å; V25-L65 HydrophobicContact CG1-CD1 3.99Å; M52-L65 HydrophobicContact CE-CB 4.22Å; G61-L65 PolarHBondContact O-N 3Å; L62-L65 PolarHBondContact O-N 3.23Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 2.84Å; L65-I68 PolarHBondContact O-N 3.35Å; L65-F69 HydrophobicContact CD1-CD1 4.16Å; L65-F69 HydrophobicContact CD1-CE1 3.54Å; L65-F69 HydrophobicContact CD1-CZ 3.86Å; L65-F69 HydrophobicContact CD2-CZ 4.33Å; L65-F69 HydrophobicContact CG-CD1 4.42Å; L65-F69 HydrophobicContact CG-CE1 4.04Å; L65-F69 HydrophobicContact CG-CE2 4.4Å; L65-F69 HydrophobicContact CG-CZ 4.03Å; L65-F69 PolarHBondContact O-N 3.04Å; L65-L82 HydrophobicContact CD2-CD1 3.97Å; L65-L82 HydrophobicContact CG-CD1 4.2Å
66I97.7Very high95.1Very high12 Ų1255 Ų556%0.06229%0.29CS..Hα-helixtrans-56.2-48.6175.3-71.6163.4000110.3L62 I68 F69 E70 A79 L82 K83 K86L62-I66 HydrophobicContact CD1-CD1 4.22Å; L62-I66 HydrophobicContact CD1-CG1 4.36Å; L62-I66 HydrophobicContact CG-CD1 4.04Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.26Å; L62-I66 WeakPolarHBondContact O-CG1 3.43Å; L62-I66 PolarHBondContact O-N 3.47Å; I66-I68 VanDerWaalsContact C-N 3.33Å; I66-I68 PolarHBondContact O-N 3.44Å; I66-F69 PolarHBondContact O-N 3.21Å; I66-F69 VanDerWaalsContact O-N 3.13Å; I66-E70 HydrophobicContact CG2-CG 4.49Å; I66-E70 WeakPolarHBondContact O-CG 3.44Å; I66-E70 PolarHBondContact O-N 3.22Å; I66-A79 HydrophobicContact CG2-CB 4.5Å; I66-L82 HydrophobicContact CD1-CB 4.09Å; I66-L82 HydrophobicContact CG1-CB 3.61Å; I66-L82 HydrophobicContact CG1-CD1 4.31Å; I66-K83 HydrophobicContact CD1-CG 4.11Å; I66-K83 HydrophobicContact CG2-CD 4.34Å; I66-K83 HydrophobicContact CG2-CG 3.79Å; I66-K86 HydrophobicContact CD1-CD 4.05Å
67K97.3Very high95.2Very high127 Ų12758.8 Ų58.855%0.55231%0.313SS*.Hα-helixtrans-59.5-43.6179.8-171.4178.2-179.2-179.70112.1G63 K64 L65 F69 E70 D71G63-K67 PolarHBondContact O-N 2.9Å; K64-K67 PolarHBondContact O-N 3.37Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 2.84Å; K67-F69 VanDerWaalsContact C-N 3.3Å; K67-F69 PolarHBondContact O-N 3.44Å; K67-E70 WeakPolarHBondContact O-CB 3.48Å; K67-E70 PolarHBondContact O-N 3.17Å; K67-D71 PolarHBondContact O-N 3.2Å
68I96.9Very high95.5Very high10 Ų1049.9 Ų49.95%0.05128%0.282CS..Hα-helixtrans-62.4-39.4177.2-69.6168.5000111.3V25 L28 L29 K64 L65 I66 D71 I72V25-I68 HydrophobicContact CG2-CG2 4.05Å; L28-I68 HydrophobicContact CB-CD1 4.18Å; L28-I68 HydrophobicContact CB-CG1 4.47Å; L28-I68 HydrophobicContact CB-CG2 4.48Å; L28-I68 HydrophobicContact CD1-CG2 3.65Å; L29-I68 HydrophobicContact CD1-CD1 4.45Å; L29-I68 HydrophobicContact CD2-CD1 3.42Å; L29-I68 VanDerWaalsContact CD2-CD1 3.42Å; L29-I68 HydrophobicContact CG-CD1 3.63Å; K64-I68 HydrophobicContact CG-CD1 4.34Å; K64-I68 WeakPolarHBondContact O-CG1 3.19Å; K64-I68 PolarHBondContact O-N 3.03Å; K64-I68 VanDerWaalsContact O-N 3.09Å; L65-I68 PolarHBondContact O-N 3.35Å; I66-I68 VanDerWaalsContact C-N 3.33Å; I66-I68 PolarHBondContact O-N 3.44Å; I68-D71 PolarHBondContact O-N 2.82Å; I68-I72 HydrophobicContact CG2-CD1 3.84Å; I68-I72 WeakPolarHBondContact O-CD1 3.01Å; I68-I72 WeakPolarHBondContact O-CG1 3.33Å
69F97.1Very high95.8Very high0 Ų046.9 Ų46.90%025%0.251CS..Hα-helixtrans-71.9-29.7179.5-74.811.8000112.6I17 V25 L65 I66 K67 D71 I72 L75 L78 A79 L82I17-F69 HydrophobicContact CD1-CE1 4.42Å; I17-F69 HydrophobicContact CD1-CZ 4.24Å; I17-F69 HydrophobicContact CG2-CE2 4.32Å; I17-F69 HydrophobicContact CG2-CZ 3.9Å; V25-F69 HydrophobicContact CG2-CD1 4.41Å; V25-F69 HydrophobicContact CG2-CE1 3.79Å; L65-F69 HydrophobicContact CD1-CD1 4.16Å; L65-F69 HydrophobicContact CD1-CE1 3.54Å; L65-F69 HydrophobicContact CD1-CZ 3.86Å; L65-F69 HydrophobicContact CD2-CZ 4.33Å; L65-F69 HydrophobicContact CG-CD1 4.42Å; L65-F69 HydrophobicContact CG-CE1 4.04Å; L65-F69 HydrophobicContact CG-CE2 4.4Å; L65-F69 HydrophobicContact CG-CZ 4.03Å; L65-F69 PolarHBondContact O-N 3.04Å; I66-F69 PolarHBondContact O-N 3.21Å; I66-F69 VanDerWaalsContact O-N 3.13Å; K67-F69 VanDerWaalsContact C-N 3.3Å; K67-F69 PolarHBondContact O-N 3.44Å; F69-D71 VanDerWaalsContact C-N 3.32Å; F69-I72 PolarHBondContact O-N 3.27Å; F69-L75 HydrophobicContact CB-CB 3.97Å; F69-L75 HydrophobicContact CD1-CB 4.35Å; F69-L75 HydrophobicContact CD1-CD1 3.72Å; F69-L75 HydrophobicContact CD2-CB 4.33Å; F69-L75 HydrophobicContact CE1-CD1 3.88Å; F69-L75 HydrophobicContact CG-CB 3.98Å; F69-L75 HydrophobicContact CG-CD1 4.2Å; F69-L75 HydrophobicContact CZ-CD1 4.47Å; F69-L75 CarbonylContact O-C 3.48Å; F69-L78 HydrophobicContact CD2-CB 3.7Å; F69-L78 HydrophobicContact CE2-CB 3.94Å; F69-L78 HydrophobicContact CE2-CD1 4.36Å; F69-A79 HydrophobicContact CB-CB 3.69Å; F69-L82 HydrophobicContact CD2-CD1 3.74Å; F69-L82 HydrophobicContact CE2-CD1 3.75Å
70E96.5Very high95.9Very high82 Ų8249.6 Ų49.638%0.38326%0.262SS..Hα-helixtrans-64.9-36.2171.7-69.4169.8167.300112.2I66 K67 I72 A79 K83I66-E70 HydrophobicContact CG2-CG 4.49Å; I66-E70 WeakPolarHBondContact O-CG 3.44Å; I66-E70 PolarHBondContact O-N 3.22Å; K67-E70 WeakPolarHBondContact O-CB 3.48Å; K67-E70 PolarHBondContact O-N 3.17Å; E70-I72 PolarHBondContact O-N 2.97Å; E70-A79 HydrophobicContact CG-CB 3.89Å; E70-K83 WeakPolarHBondContact OE1-CE 3.48Å; E70-K83 IonicContact OE1-NZ 2.58Å; E70-K83 PolarHBondContact OE1-NZ 3.08Å
71D95Very high96Very high119 Ų11952.3 Ų52.364%0.63628%0.278SS*.THydrogen-bonded Turntrans-74.8-8.9179.3-65.5-32.1000112.6K67 I68 F69K67-D71 PolarHBondContact O-N 3.2Å; I68-D71 PolarHBondContact O-N 2.82Å; F69-D71 VanDerWaalsContact C-N 3.32Å
72I93.6Very high96.1Very high12 Ų1252.3 Ų52.36%0.06228%0.278CS..SBendtrans-114.5107.9-178-59.3162.2000108.7M24 L28 I68 F69 E70 T74 L75 E76M24-I72 HydrophobicContact CE-CB 4.44Å; M24-I72 HydrophobicContact CE-CD1 3.62Å; M24-I72 HydrophobicContact CE-CG1 3.81Å; M24-I72 HydrophobicContact CE-CG2 3.72Å; L28-I72 HydrophobicContact CD1-CD1 4.3Å; I68-I72 HydrophobicContact CG2-CD1 3.84Å; I68-I72 WeakPolarHBondContact O-CD1 3.01Å; I68-I72 WeakPolarHBondContact O-CG1 3.33Å; F69-I72 PolarHBondContact O-N 3.27Å; E70-I72 PolarHBondContact O-N 2.97Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.44Å; I72-T74 PolarHBondContact O-N 3.18Å; I72-L75 HydrophobicContact CB-CB 4.23Å; I72-L75 HydrophobicContact CB-CD1 4.07Å; I72-L75 HydrophobicContact CB-CG 4.16Å; I72-L75 HydrophobicContact CD1-CD1 3.73Å; I72-L75 HydrophobicContact CG2-CB 4.26Å; I72-L75 HydrophobicContact CG2-CD1 3.87Å; I72-L75 HydrophobicContact CG2-CG 3.74Å; I72-L75 PolarHBondContact O-N 3.42Å; I72-E76 PolarHBondContact O-N 2.92Å
73P93.6Very high96.1Very high111 Ų11156.6 Ų56.672%0.72130%0.297SS*.G310 helixtrans-55.7-32.8-173-28.134.3000114.7L75P73-L75 PolarHBondContact O-N 3.41Å
74T94.7Very high96Very high96 Ų9660.9 Ų60.959%0.58931%0.308SS*.G310 helixtrans-75.3-10.9179.755.30000113.9H21 I72H21-T74 PolarHBondContact CE1-OG1 3.03Å; H21-T74 PolarHBondContact NE2-OG1 3.47Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.44Å; I72-T74 PolarHBondContact O-N 3.18Å
75L95.8Very high95.9Very high4 Ų459.6 Ų59.62%0.02130%0.304CS..G310 helixtrans-116.24.6-176.6-55.1-178.6000112.8I17 H21 F69 I72 P73 D77 L78 A79I17-L75 HydrophobicContact CG2-CD1 4.35Å; I17-L75 HydrophobicContact CG2-CD2 3.68Å; H21-L75 HydrophobicContact CB-CD1 4.23Å; H21-L75 HydrophobicContact CB-CD2 4.46Å; F69-L75 HydrophobicContact CB-CB 3.97Å; F69-L75 HydrophobicContact CD1-CB 4.35Å; F69-L75 HydrophobicContact CD1-CD1 3.72Å; F69-L75 HydrophobicContact CD2-CB 4.33Å; F69-L75 HydrophobicContact CE1-CD1 3.88Å; F69-L75 HydrophobicContact CG-CB 3.98Å; F69-L75 HydrophobicContact CG-CD1 4.2Å; F69-L75 HydrophobicContact CZ-CD1 4.47Å; F69-L75 CarbonylContact O-C 3.48Å; I72-L75 HydrophobicContact CB-CB 4.23Å; I72-L75 HydrophobicContact CB-CD1 4.07Å; I72-L75 HydrophobicContact CB-CG 4.16Å; I72-L75 HydrophobicContact CD1-CD1 3.73Å; I72-L75 HydrophobicContact CG2-CB 4.26Å; I72-L75 HydrophobicContact CG2-CD1 3.87Å; I72-L75 HydrophobicContact CG2-CG 3.74Å; I72-L75 PolarHBondContact O-N 3.42Å; P73-L75 PolarHBondContact O-N 3.41Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.87Å; L75-L78 HydrophobicContact CD2-CD1 3.84Å; L75-L78 WeakPolarHBondContact O-CA 3.47Å; L75-L78 WeakPolarHBondContact O-CB 3.34Å; L75-L78 PolarHBondContact O-N 3.28Å; L75-A79 PolarHBondContact O-N 3.44Å
76E95.6Very high95.7Very high113 Ų11361.8 Ų61.853%0.52831%0.313SS..Hα-helixtrans-57.7-43.3-177.4-171.7172.7-170.300111.9I72 L78 A79 E80I72-E76 PolarHBondContact O-N 2.92Å; E76-L78 VanDerWaalsContact C-N 3.26Å; E76-L78 PolarHBondContact O-N 3.44Å; E76-A79 WeakPolarHBondContact O-CA 3.45Å; E76-A79 VanDerWaalsContact O-CB 3.25Å; E76-A79 WeakPolarHBondContact O-CB 2.86Å; E76-A79 PolarHBondContact O-N 2.86Å; E76-E80 PolarHBondContact O-N 3.33Å
77D95.7Very high95.4Very high129 Ų12967 Ų6769%0.6934%0.341SS*.Hα-helixtrans-60-35.9175.5-68.2-32.1000112.8L75 E80 T81L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.87Å; D77-E80 PolarHBondContact O-N 2.85Å; D77-T81 PolarHBondContact O-N 2.85Å; D77-T81 VanDerWaalsContact O-N 3.08Å; D77-T81 PolarHBondContact O-OG1 3.36Å
78L96.1Very high95Very high34 Ų3467.7 Ų67.718%0.17834%0.344CS..Hα-helixtrans-71.2-37.7175.6-70.1171.2000110.6V16 I17 F69 L75 E76 E80 T81 L82V16-L78 HydrophobicContact CB-CD2 4.29Å; V16-L78 HydrophobicContact CG1-CD1 4.42Å; V16-L78 HydrophobicContact CG1-CD2 3.83Å; I17-L78 HydrophobicContact CG2-CD1 3.69Å; F69-L78 HydrophobicContact CD2-CB 3.7Å; F69-L78 HydrophobicContact CE2-CB 3.94Å; F69-L78 HydrophobicContact CE2-CD1 4.36Å; L75-L78 HydrophobicContact CD2-CD1 3.84Å; L75-L78 WeakPolarHBondContact O-CA 3.47Å; L75-L78 WeakPolarHBondContact O-CB 3.34Å; L75-L78 PolarHBondContact O-N 3.28Å; E76-L78 VanDerWaalsContact C-N 3.26Å; E76-L78 PolarHBondContact O-N 3.44Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 3.26Å; L78-T81 WeakPolarHBondContact O-CB 3.21Å; L78-T81 PolarHBondContact O-N 3.32Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.36Å
79A96.8Very high94.6Very high1 Ų168.4 Ų68.41%0.00835%0.348CS..Hα-helixtrans-58.4-45.3173.900000111.2I66 F69 E70 L75 E76 T81 L82 K83I66-A79 HydrophobicContact CG2-CB 4.5Å; F69-A79 HydrophobicContact CB-CB 3.69Å; E70-A79 HydrophobicContact CG-CB 3.89Å; L75-A79 PolarHBondContact O-N 3.44Å; E76-A79 WeakPolarHBondContact O-CA 3.45Å; E76-A79 VanDerWaalsContact O-CB 3.25Å; E76-A79 WeakPolarHBondContact O-CB 2.86Å; E76-A79 PolarHBondContact O-N 2.86Å; A79-T81 VanDerWaalsContact C-N 3.34Å; A79-T81 PolarHBondContact O-N 3.49Å; A79-L82 PolarHBondContact O-N 2.83Å; A79-K83 WeakPolarHBondContact O-CG 3.21Å; A79-K83 PolarHBondContact O-N 3.13Å
80E96.8Very high93.7Very high93 Ų9375.2 Ų75.244%0.43538%0.378SS..Hα-helixtrans-60.4-43.7174.7-68.9-154.1165.600112.8E76 D77 L78 L82 K83 K84E76-E80 PolarHBondContact O-N 3.33Å; D77-E80 PolarHBondContact O-N 2.85Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 3.26Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.96Å; E80-K83 WeakPolarHBondContact O-CB 2.96Å; E80-K83 PolarHBondContact O-N 2.97Å; E80-K84 WeakPolarHBondContact O-CG 3.36Å; E80-K84 PolarHBondContact O-N 2.88Å; E80-K84 IonicContact OE2-NZ 2.71Å; E80-K84 PolarHBondContact OE2-NZ 3.23Å
81T96.4Very high92.2Very high57 Ų5772.7 Ų72.735%0.3537%0.374SS..Hα-helixtrans-60.6-45.1178.4-61.50000110.8D77 L78 A79 K83 K84 E85D77-T81 PolarHBondContact O-N 2.85Å; D77-T81 VanDerWaalsContact O-N 3.08Å; D77-T81 PolarHBondContact O-OG1 3.36Å; L78-T81 WeakPolarHBondContact O-CB 3.21Å; L78-T81 PolarHBondContact O-N 3.32Å; A79-T81 VanDerWaalsContact C-N 3.34Å; A79-T81 PolarHBondContact O-N 3.49Å; T81-K83 PolarHBondContact O-N 3.1Å; T81-K84 PolarHBondContact O-N 2.87Å; T81-E85 PolarHBondContact O-N 3.32Å
82L96.4Very high90.3Very high0 Ų073 Ų730%038%0.383CS..Hα-helixtrans-65.3-37177.3-69.8178.8000112.6I8 K12 L62 L65 I66 F69 L78 A79 E80 E85 K86I8-L82 HydrophobicContact CG2-CD2 3.66Å; K12-L82 HydrophobicContact CB-CD2 3.86Å; L62-L82 HydrophobicContact CD1-CB 4.12Å; L62-L82 HydrophobicContact CD1-CD1 4.38Å; L62-L82 HydrophobicContact CD1-CD2 3.99Å; L62-L82 HydrophobicContact CD1-CG 4.4Å; L65-L82 HydrophobicContact CD2-CD1 3.97Å; L65-L82 HydrophobicContact CG-CD1 4.2Å; I66-L82 HydrophobicContact CD1-CB 4.09Å; I66-L82 HydrophobicContact CG1-CB 3.61Å; I66-L82 HydrophobicContact CG1-CD1 4.31Å; F69-L82 HydrophobicContact CD2-CD1 3.74Å; F69-L82 HydrophobicContact CE2-CD1 3.75Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.36Å; A79-L82 PolarHBondContact O-N 2.83Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.96Å; L82-E85 PolarHBondContact O-N 2.96Å; L82-K86 WeakPolarHBondContact O-CB 3.34Å; L82-K86 PolarHBondContact O-N 3.08Å
83K96.4Very high88.4Confident91 Ų9177 Ų7740%0.39642%0.417SS..Hα-helixtrans-60.2-46172.2-73.4172.7-176171.60111.6I66 E70 A79 E80 T81 E85 K86 L87I66-K83 HydrophobicContact CD1-CG 4.11Å; I66-K83 HydrophobicContact CG2-CD 4.34Å; I66-K83 HydrophobicContact CG2-CG 3.79Å; E70-K83 WeakPolarHBondContact OE1-CE 3.48Å; E70-K83 IonicContact OE1-NZ 2.58Å; E70-K83 PolarHBondContact OE1-NZ 3.08Å; A79-K83 WeakPolarHBondContact O-CG 3.21Å; A79-K83 PolarHBondContact O-N 3.13Å; E80-K83 WeakPolarHBondContact O-CB 2.96Å; E80-K83 PolarHBondContact O-N 2.97Å; T81-K83 PolarHBondContact O-N 3.1Å; K83-E85 PolarHBondContact O-N 3.39Å; K83-K86 WeakPolarHBondContact O-CB 3.07Å; K83-K86 PolarHBondContact O-N 3.3Å; K83-L87 WeakPolarHBondContact O-CG 3.45Å; K83-L87 PolarHBondContact O-N 2.83Å; K83-L87 VanDerWaalsContact O-N 3.13Å
84K95.6Very high86.4Confident116 Ų11678.1 Ų78.150%0.50442%0.416SS..Hα-helixtrans-60.9-44.6177.9-69.6165.4-172.11590110.8E80 T81 L87 K88E80-K84 WeakPolarHBondContact O-CG 3.36Å; E80-K84 PolarHBondContact O-N 2.88Å; E80-K84 IonicContact OE2-NZ 2.71Å; E80-K84 PolarHBondContact OE2-NZ 3.23Å; T81-K84 PolarHBondContact O-N 2.87Å; K84-L87 PolarHBondContact O-N 3.46Å; K84-K88 WeakPolarHBondContact O-CG 3.43Å; K84-K88 PolarHBondContact O-N 3.31Å
85E93.9Very high84.4Confident45 Ų4578.9 Ų78.921%0.2143%0.426CS..Hα-helixtrans-64.4-39.8175.7-70.9-57.9136.200112.8I8 T81 L82 K83 L87 K88 V89I8-E85 HydrophobicContact CD1-CB 4.08Å; I8-E85 HydrophobicContact CG1-CB 4.34Å; I8-E85 HydrophobicContact CG2-CB 3.88Å; T81-E85 PolarHBondContact O-N 3.32Å; L82-E85 PolarHBondContact O-N 2.96Å; K83-E85 PolarHBondContact O-N 3.39Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 2.72Å; E85-K88 WeakPolarHBondContact O-CB 3.1Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-K88 VanDerWaalsContact O-N 3.15Å; E85-K88 IonicContact OE1-NZ 2.84Å; E85-K88 PolarHBondContact OE1-NZ 3.36Å; E85-V89 PolarHBondContact O-N 2.87Å
86K91.6Very high82.2Confident46 Ų4688.5 Ų88.520%0.246%0.461CS..Hα-helixtrans-58.8-40175.5-174.1167.2174.1161.70112.2Y5 D59 L62 I66 L82 K83 V89 K90Y5-K86 HydrophobicContact CE1-CG 4.36Å; D59-K86 IonicContact OD2-NZ 2.75Å; D59-K86 PolarHBondContact OD2-NZ 3.08Å; L62-K86 HydrophobicContact CD2-CB 3.74Å; L62-K86 HydrophobicContact CD2-CD 4.14Å; L62-K86 HydrophobicContact CD2-CG 3.99Å; L62-K86 HydrophobicContact CG-CD 4.31Å; I66-K86 HydrophobicContact CD1-CD 4.05Å; L82-K86 WeakPolarHBondContact O-CB 3.34Å; L82-K86 PolarHBondContact O-N 3.08Å; K83-K86 WeakPolarHBondContact O-CB 3.07Å; K83-K86 PolarHBondContact O-N 3.3Å; K86-V89 PolarHBondContact O-N 3.46Å; K86-K90 PolarHBondContact O-N 3.08Å
87L91.9Very high80Confident122 Ų12292.3 Ų92.364%0.63948%0.476SS*.Hα-helixtrans-67-38176.6-67.1173.6000112.2K83 K84 E85 V89 K90 G91K83-L87 WeakPolarHBondContact O-CG 3.45Å; K83-L87 PolarHBondContact O-N 2.83Å; K83-L87 VanDerWaalsContact O-N 3.13Å; K84-L87 PolarHBondContact O-N 3.46Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 2.72Å; L87-V89 VanDerWaalsContact C-N 3.29Å; L87-V89 PolarHBondContact O-N 2.84Å; L87-K90 PolarHBondContact O-N 2.92Å; L87-G91 PolarHBondContact O-N 3.21Å
88K89.6Confident78Confident141 Ų14197.1 Ų97.161%0.61349%0.485SS*.Hα-helixtrans-61.1-37.7175.6-67.2174.5-176.8174.80112.1K84 E85 G91K84-K88 WeakPolarHBondContact O-CG 3.43Å; K84-K88 PolarHBondContact O-N 3.31Å; E85-K88 WeakPolarHBondContact O-CB 3.1Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-K88 VanDerWaalsContact O-N 3.15Å; E85-K88 IonicContact OE1-NZ 2.84Å; E85-K88 PolarHBondContact OE1-NZ 3.36Å; K88-G91 PolarHBondContact O-N 3.4Å
89V87.1Confident76Confident25 Ų25104.7 Ų104.715%0.15252%0.516CS..Hα-helixtrans-73.9-35.1179.2-1790000112.8M1 K4 Y5 I8 E85 K86 L87 G91M1-V89 HydrophobicContact SD-CG1 4.22Å; K4-V89 HydrophobicContact CB-CG1 4.21Å; K4-V89 HydrophobicContact CD-CG1 4.31Å; Y5-V89 HydrophobicContact CD1-CB 4.28Å; Y5-V89 HydrophobicContact CD1-CG1 4.06Å; Y5-V89 HydrophobicContact CD1-CG2 4.41Å; Y5-V89 HydrophobicContact CD2-CG1 4.47Å; Y5-V89 HydrophobicContact CE1-CB 3.59Å; Y5-V89 HydrophobicContact CE1-CG1 3.47Å; Y5-V89 VanDerWaalsContact CE1-CG1 3.47Å; Y5-V89 HydrophobicContact CE1-CG2 4.17Å; Y5-V89 HydrophobicContact CE2-CG1 3.93Å; I8-V89 HydrophobicContact CD1-CG2 3.35Å; E85-V89 PolarHBondContact O-N 2.87Å; K86-V89 PolarHBondContact O-N 3.46Å; L87-V89 VanDerWaalsContact C-N 3.29Å; L87-V89 PolarHBondContact O-N 2.84Å; V89-G91 PolarHBondContact O-N 3.23Å
90K78.3Confident73.5Confident143 Ų143114.4 Ų114.462%0.62256%0.558SS**Hα-helixtrans-70.8-6.5175-78.8-169.5171.5-172.60113.5Y5 K86 L87Y5-K90 WeakPolarHBondContact OH-CG 3.44Å; K86-K90 PolarHBondContact O-N 3.08Å; L87-K90 PolarHBondContact O-N 2.92Å
91G65.2Low71.2Confident29 Ų29119.1 Ų119.130%0.29958%0.58SS.*  trans77.1158.3-173.700000111L87 K88 V89 A93L87-G91 PolarHBondContact O-N 3.21Å; K88-G91 PolarHBondContact O-N 3.4Å; V89-G91 PolarHBondContact O-N 3.23Å; G91-A93 PolarHBondContact O-N 3.45Å
92P55.8Low68.5Low126 Ų126122.7 Ų122.782%0.81860%0.602SS**  trans-65.798.8176.327.7-32000108.5L94P92-L94 PolarHBondContact O-N 2.94Å
93A53.2Low65.7Low95 Ų95129.8 Ų129.879%0.78564%0.64SS**  trans-65.889.9159.800000107G91 S95G91-A93 PolarHBondContact O-N 3.45Å; A93-S95 PolarHBondContact O-N 2.95Å
94L51.2Low62.8Low135 Ų135129.9 Ų129.971%0.70766%0.657SS**  trans22.469.1160.4-77157.8000115.6P92 R96P92-L94 PolarHBondContact O-N 2.94Å; L94-R96 HydrophobicContact CD2-CB 4.29Å; L94-R96 HydrophobicContact CD2-CG 3.96Å; L94-R96 PolarHBondContact O-N 2.76Å; L94-R96 VanDerWaalsContact O-N 3.12Å
95S53.5Low60.3Low112 Ų112130.8 Ų130.878%0.78367%0.673SS**  trans-81.154.2147.641.10000109.1A93 K97A93-S95 PolarHBondContact O-N 2.95Å; S95-K97 PolarHBondContact O-N 2.95Å
96R48.8Very low57.7Low205 Ų205133.3 Ų133.377%0.77470%0.695SS**  trans-66.886.8150.7-89.7-175.6179.6160.7-1.7105.2L94 R98L94-R96 HydrophobicContact CD2-CB 4.29Å; L94-R96 HydrophobicContact CD2-CG 3.96Å; L94-R96 PolarHBondContact O-N 2.76Å; L94-R96 VanDerWaalsContact O-N 3.12Å; R96-R98 PolarHBondContact O-N 3.47Å
97K50.6Low55.5Low194 Ų194136.4 Ų136.484%0.84372%0.721SS**  trans-56.194.4146.6-88.8-175.5174.3-179.20104.9S95 K99S95-K97 PolarHBondContact O-N 2.95Å; K97-K99 PolarHBondContact O-N 3.34Å
98R52.5Low53.1Low230 Ų230135.2 Ų135.287%0.86873%0.728SS**  trans-57.293.8156.4-78.1-170.6173.5-174.2-1.4105R96 K100R96-R98 PolarHBondContact O-N 3.47Å; R98-K100 PolarHBondContact O-N 3.07Å
99K53.5Low51.1Low193 Ų193134.1 Ų134.184%0.83974%0.735SS**  trans-62.5117.9146.8-74.1-171.1173.9-174.20104K97 E101K97-K99 PolarHBondContact O-N 3.34Å; K99-E101 PolarHBondContact O-N 3.35Å
100K45.5Very low48.7Very low205 Ų205138.5 Ų138.589%0.89177%0.767SS**  trans-48.1120.5172.8-83174168.8179.40108.2R98R98-K100 PolarHBondContact O-N 3.07Å
101E47.3Very low46.8Very low192 Ų192137.9 Ų137.990%0.89778%0.776SS**  trans-105.5106.1154.4-175.2176.4113.200106K99K99-E101 PolarHBondContact O-N 3.35Å
102V40.3Very low45.4Very low132 Ų132141.7 Ų141.780%0.880%0.797SS**  trans-163.9113.9162164.8000099.6
103D36.8Very low44.6Very low148 Ų148140.7 Ų140.779%0.79179%0.793SS**  cis-168.9137.634.5179.4-109.7000107
104A37.5Very low43.8Very low93 Ų93142 Ų14277%0.76979%0.792SS**  trans173.789.8144.500000110S106A104-S106 PolarHBondContact O-N 2.59Å
105T41.3Very low43.1Very low135 Ų135141.1 Ų141.183%0.82879%0.792SS**  trans-70.3109.6163.6-72.10000109.7
106S39.7Very low42.3Very low98 Ų98144 Ų14469%0.68579%0.79SS**  trans54.2171133.4-1470000121A104A104-S106 PolarHBondContact O-N 2.59Å
107P46.5Very low41.6Very low112 Ų112139.9 Ų139.973%0.72779%0.788SS**  -114.8168.4-65.932.9-17.4000112.3
108A41.2Very low40.7Very low97 Ų97139.5 Ų139.580%0.80279%0.789SS**  trans-64.9153.8174.500000112.8
109P47.7Very low39.7Very low117 Ų117131.9 Ų131.976%0.7678%0.782SS**  -150.9153.192.337.7-20.7000114.9
110S35.8Very low38.9Very low117 Ų117127 Ų12782%0.81878%0.777SS**  174126.9128.3-850000113.6
111T38.2Very low38.4Very low131 Ų131126.1 Ų126.180%0.80478%0.777SS**  trans-51.7142.7160.841.60000114.4
112S35.8Very low37.9Very low108 Ų108120.7 Ų120.776%0.75576%0.764SS**  173.2134.8110490000112.8
113S40.5Very low38.3Very low105 Ų105120.4 Ų120.473%0.73476%0.763SS**  trans30.6138.3149.452.70000120.1
114T34.6Very low38.9Very low122 Ų122119.1 Ų119.175%0.74876%0.763SS**  -165.8127.966.9-48.70000111.7
115V38.3Very low38.7Very low117 Ų117118.1 Ų118.171%0.70976%0.762SS**  trans-29156.2149.8-91.90000114.4
116K35.2Very low38.8Very low174 Ų174116.2 Ų116.276%0.75776%0.76SS**  cis-173.9153.528.1-118.7168.4-170.2-165.80105.4
117T35.6Very low39.3Very low118 Ų118120.7 Ų120.772%0.72477%0.77SS**  138.5149.590.317.60000104.4
118E31.8Very low39.2Very low186 Ų186125.2 Ų125.287%0.86978%0.778SS**  cis-178.4155.23.6175.3175118.700106
119G30.8Very low39.3Very low70 Ų70131 Ų13172%0.72278%0.779SS**  trans141.964174.100000111.6
120A36.5Very low39.1Very low89 Ų89133 Ų13374%0.73678%0.776SS**  72.294.196.100000112.1
121E34.1Very low39.4Very low188 Ų188135.1 Ų135.188%0.87977%0.77SS**  82.7130.1109.6-111.3-165.1109.400112
122A38.5Very low39.9Very low77 Ų77134 Ų13464%0.63677%0.768SS**  cis-167.1126.947.600000112.2
123T47.8Very low40.1Very low126 Ų126135.9 Ų135.977%0.77378%0.775SS**  trans61166.8131.40.70000121.8
124P49.3Very low40.1Very low121 Ų121138.6 Ų138.679%0.78677%0.774SS**  -127.8168.9-124.633.8-9.8000114.2
125G34.3Very low40.2Very low72 Ų72139 Ų13974%0.74277%0.767SS**  trans-153.492.9167.200000109.9
126A42.9Very low40.5Very low96 Ų96141.9 Ų141.979%0.79377%0.77SS**  68.895.49000000113.9
127Q49.4Very low40.4Very low191 Ų191138 Ų13889%0.89377%0.771SS**  trans19.8124.6134.8-51.7-173.446.100118.8
128K44.3Very low40.6Very low208 Ų208135.8 Ų135.890%0.90477%0.771SS**  -173.6103.4125.9-115.3174.6176.2174.60115.1
129R43.8Very low41.6Very low219 Ų219132.9 Ų132.983%0.82677%0.768SS**  9.7147.6121.8-126177.7-179.91671.6120.3
130K42.6Very low42.1Very low158 Ų158139.8 Ų139.869%0.68778%0.778SS**  trans89146.7148.6-66.7-176.7172.3176.80115.8
131K42.6Very low42.3Very low161 Ų161138.6 Ų138.670%0.778%0.775SS**  cis-169.9157.1-0.1-113.8172.7-175.9-158.80107.9
132S48.8Very low43Very low109 Ų109135.2 Ų135.276%0.76277%0.772SS**  trans-59.2145.7156.649.20000112.8
133T40.3Very low43.5Very low146 Ų146141 Ų14190%0.89678%0.783SS**  trans-148.9152.6156.6-63.20000110.2
134K40.2Very low43.4Very low162 Ų162140.9 Ų140.970%0.70478%0.782SS**  trans-122.9149.5-150.2158.4-171.1173.2-179.90109.4
135E36.3Very low43.3Very low130 Ų130140.5 Ų140.561%0.60778%0.782SS**  trans53.4162.6159.6-78.3-168.282.700117.7
136K45.4Very low44Very low178 Ų178145.1 Ų145.177%0.77478%0.784SS**  cis-162.2165.7-11.5-124.7-168-170.7170.20106.4
137A34.2Very low43.8Very low93 Ų93148.8 Ų148.877%0.76979%0.785SS**  trans135.711613300000112.9
138G39.5Very low43.7Very low71 Ų71147.9 Ų147.973%0.73278%0.781SS**  trans-69.7-159.715800000111
139P51.4Low43.9Very low125 Ų125143.1 Ų143.181%0.81277%0.769SS**  cis-145.5173.826.839.6-19.1000115.8
140K42.8Very low44.5Very low215 Ų215140.4 Ų140.494%0.93577%0.766SS**  trans141.5126.5151.9-90.1177.2167.8177.30109.2
141G40.1Very low45.1Very low65 Ų65137.8 Ų137.867%0.6777%0.765SS**  cis178.1147.61.500000108.5
142S48.2Very low45.7Very low117 Ų117136 Ų13682%0.81877%0.77SS**  trans41.6135.2149.963.50000119.5
143K50Low45.8Very low198 Ų198135.6 Ų135.686%0.86177%0.767SS**  cis-169.7139.748.4-156.5175.4-179.3-1730109.7
144V45.5Very low46.5Very low124 Ų124134.9 Ų134.975%0.75277%0.765SS**  trans-57145.9167.461.60000112.3
145S46.9Very low47.1Very low112 Ų112132.1 Ų132.178%0.78377%0.773SS**  -156.7107.4129.8-150.90000109.5
146E49.5Very low47.5Very low170 Ų170129.3 Ų129.379%0.79478%0.778SS**  trans-83.2120.3158.7-169.8-177.4124.600105.5
147E37.7Very low47.8Very low172 Ų172126.3 Ų126.380%0.80479%0.787SS**  trans-132.491.5163.4-167.5173.592.800108.2
148Q47.6Very low48.4Very low173 Ų173125.1 Ų125.181%0.80878%0.784SS**  trans-87.6103156.8-178.6-166.7-58.400106.6
149T49.6Very low49.1Very low108 Ų108129.8 Ų129.866%0.66379%0.788SS**  trans-156.1108.8154.5-580000110.8
150Q55.3Low49.1Very low161 Ų161130.1 Ų130.175%0.75279%0.793SS**  trans68.7130.4144.9-155.3176.1-17.500120.4
151P55.3Low49.4Very low103 Ų103125.9 Ų125.967%0.66979%0.786SS**PPolyproline II helixtrans-71.8140.4165.530-32.4000110.6S153P151-S153 PolarHBondContact O-N 3.16Å
152P55.8Low50Low123 Ų123127.2 Ų127.280%0.79979%0.79SS**PPolyproline II helixtrans-69.3122.117227.6-30.4000109.6
153S51Low50.3Low102 Ų102130.9 Ų130.971%0.71380%0.797SS**PPolyproline II helixtrans-57.9132.6166.5-62.40000110.6P151 A155P151-S153 PolarHBondContact O-N 3.16Å; S153-A155 PolarHBondContact O-N 3.43Å
154P53.6Low50Low130 Ų130124.7 Ų124.784%0.84479%0.79SS**  trans-82.193155.929.7-26.4000108.5G156P154-G156 PolarHBondContact O-N 3Å
155A52.8Low50.3Low105 Ų105130.6 Ų130.687%0.86880%0.798SS**  trans-83.891.4157.600000107.7S153S153-A155 PolarHBondContact O-N 3.43Å
156G44.7Very low50.8Low70 Ų70130.2 Ų130.272%0.72280%0.796SS**  trans-136.181172.300000109.2P154 G158P154-G156 PolarHBondContact O-N 3Å; G156-G158 PolarHBondContact O-N 3.28Å
157A52.3Low51.4Low116 Ų116127.9 Ų127.996%0.95980%0.796SS**  trans-63.8119.4163.600000108.3
158G47.8Very low52.3Low68 Ų68124.3 Ų124.370%0.70179%0.789SS**  trans-156.672.3-178.300000111.5G156G156-G158 PolarHBondContact O-N 3.28Å
159M53.1Low52.3Low169 Ų169122 Ų12283%0.83379%0.79SS**  trans43.4102.3151.6-54.9-179.877.100118.1T161M159-T161 PolarHBondContact O-N 3.01Å; M159-T161 VanDerWaalsContact O-N 3.16Å
160S51.2Low52.5Low131 Ų131126.3 Ų126.392%0.91680%0.799SS**  trans-57.8112.6149.6-68.60000109.5
161T49.8Very low52Low127 Ų127124.4 Ų124.478%0.77980%0.799SS**  trans-11397.3156.836.50000108.4M159M159-T161 PolarHBondContact O-N 3.01Å; M159-T161 VanDerWaalsContact O-N 3.16Å
162A52.6Low51.8Low92 Ų92125.5 Ų125.576%0.7681%0.809SS**  trans-72127.9157.100000108.4
163M54.3Low51.6Low194 Ų194127.3 Ų127.396%0.95681%0.811SS**  trans147.9101.7144.3-86.3-179.668.700109
164G43.7Very low51.5Low69 Ų69127.5 Ų127.571%0.71181%0.812SS**  trans-160.246.6170.300000109.7S166G164-S166 PolarHBondContact O-N 3.29Å
165R51.9Low52Low247 Ų247125.6 Ų125.693%0.93281%0.808SS**  trans-65.8101.6170.5-127.7-178.9176.2-162.6-0.8106.5P167R165-P167 VanDerWaalsContact O-CD 3.32Å; R165-P167 WeakPolarHBondContact O-CD 3.32Å
166S57Low52.8Low104 Ų104125.8 Ų125.873%0.72780%0.8SS**PPolyproline II helixtrans-62.4120.9167-38.60000107.7G164 S168G164-S166 PolarHBondContact O-N 3.29Å; S166-S168 PolarHBondContact O-N 3.34Å
167P62.2Low53.5Low122 Ų122128.2 Ų128.279%0.79280%0.803SS**PPolyproline II helixtrans-71120.1166.226.8-27.6000108R165R165-P167 VanDerWaalsContact O-CD 3.32Å; R165-P167 WeakPolarHBondContact O-CD 3.32Å
168S56.6Low53.9Low96 Ų96130.3 Ų130.367%0.67180%0.798SS**PPolyproline II helixtrans-56.7132.9165-40.10000109S166 K170S166-S168 PolarHBondContact O-N 3.34Å; S168-K170 PolarHBondContact O-N 3.37Å
169P48.7Very low54.3Low126 Ų126132.7 Ų132.782%0.81880%0.804SS**  trans-71.4100.5168.427.4-28.4000107.6T171P169-T171 PolarHBondContact O-N 3.25Å; P169-T171 VanDerWaalsContact O-N 3.16Å
170K53.1Low54.2Low197 Ų197134 Ų13486%0.85783%0.83SS**  trans-74.5105.9166.5-77.6-170178.3-178.90108S168S168-K170 PolarHBondContact O-N 3.37Å
171T43.8Very low54.4Low122 Ų122134.2 Ų134.275%0.74883%0.825SS**  trans-17.9123.5152.437.30000114.7P169 L173P169-T171 PolarHBondContact O-N 3.25Å; P169-T171 VanDerWaalsContact O-N 3.16Å; T171-L173 PolarHBondContact O-N 3.16Å
172S52.4Low54.6Low125 Ų125134.5 Ų134.587%0.87483%0.828SS**  trans-55122161.6-550000111.5
173L51.5Low54.7Low162 Ų162136.9 Ų136.985%0.84883%0.832SS**  trans-140.9140.9156.6-103.992.4000103.7T171T171-L173 PolarHBondContact O-N 3.16Å
174S49.2Very low54.7Low105 Ų105133.5 Ų133.573%0.73482%0.824SS**  cis-167.6133.94.6173.70000104
175A64Low55.4Low91 Ų91137.6 Ų137.675%0.75283%0.831SS**PPolyproline II helixtrans-86.7130167.100000108.5
176P69.8Low55.7Low108 Ų108130.3 Ų130.370%0.70183%0.825SS**PPolyproline II helixtrans-83.3139.7164.630.7-28.8000110.3
177P58.8Low55.6Low122 Ų122132.1 Ų132.179%0.79283%0.832SS**PPolyproline II helixtrans-83.8122.7168.132.5-26.8000108.6
178N59.6Low55.1Low159 Ų159132.9 Ų132.985%0.8584%0.835SS**  trans-114.1114161.9-83.52.2000109
179S56.7Low54.9Low118 Ų118136 Ų13683%0.82585%0.848SS**  trans-88131.6161.3-178.90000108
180S51.8Low55.5Low197 Ų197136.9 Ų136.9100%1.37885%0.851SS**  trans-1600151.4-88.70000108.1

Retrieved 180 of 180 residues in 44.7 ms (Link to these results)

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