A0AA82N845_SCHMA Loading...

CCHC-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N845, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 542 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
1M79.4Confident85.8Confident99 Ų9979.5 Ų79.549%0.48840%0.401SS..  0144.90-175.2154-84.100108.6Y16 R19 F20 W23 F42M1-Y16 HydrophobicContact CG-CE2 4.45Å; M1-R19 HydrophobicContact CE-CB 4.2Å; M1-R19 WeakPolarHBondContact CE-O 2.97Å; M1-F20 HydrophobicContact CE-CB 4.44Å; M1-F20 HydrophobicContact SD-CB 4.09Å; M1-F20 HydrophobicContact SD-CD2 3.93Å; M1-W23 HydrophobicContact CE-CB 3.68Å; M1-W23 HydrophobicContact CE-CG 4.14Å; M1-F42 HydrophobicContact CB-CD1 3.87Å; M1-F42 HydrophobicContact CB-CE1 4.39Å; M1-F42 HydrophobicContact CB-CG 4.32Å; M1-F42 HydrophobicContact SD-CB 4.24Å; M1-F42 HydrophobicContact SD-CG 4.43Å
2E85.5Confident86.2Confident121 Ų12176 Ų7657%0.56539%0.394SS*.PPolyproline II helixtrans-64.6167170-165.7172.6-15700110.4Y16 R19E2-Y16 WeakPolarHBondContact O-CE2 3.38Å; E2-R19 IonicContact OE2-CZ 2.71Å; E2-R19 VanDerWaalsContact OE2-CZ 3.27Å; E2-R19 IonicContact OE2-NH1 3.4Å; E2-R19 PolarHBondContact OE2-NH1 3.25Å; E2-R19 IonicContact OE2-NH2 2.64Å; E2-R19 PolarHBondContact OE2-NH2 3.14Å
3R91Very high86.6Confident180 Ų18070.4 Ų70.468%0.67937%0.365SS*.PPolyproline II helixtrans-92.6154.3172.4-69.7178.8178.5163.13.6110.2D5R3-D5 PolarHBondContact O-N 3.32Å
4L90.7Very high87Confident9 Ų972.3 Ų72.35%0.04737%0.371CS..PPolyproline II helixtrans-79.4118.9174.9177.365.6000110.1I6 F13 Y16 M17 I43 A47 L72L4-I6 PolarHBondContact O-N 2.93Å; L4-F13 HydrophobicContact CD1-CD2 3.99Å; L4-F13 HydrophobicContact CD2-CD2 3.95Å; L4-F13 HydrophobicContact CD2-CE2 4.06Å; L4-Y16 HydrophobicContact CB-CD1 4.16Å; L4-Y16 HydrophobicContact CB-CD2 3.96Å; L4-Y16 HydrophobicContact CB-CE1 4.12Å; L4-Y16 HydrophobicContact CB-CE2 3.9Å; L4-Y16 HydrophobicContact CB-CG 4.12Å; L4-Y16 HydrophobicContact CD1-CD1 4.03Å; L4-Y16 HydrophobicContact CD1-CD2 4.18Å; L4-Y16 HydrophobicContact CD1-CG 3.71Å; L4-Y16 HydrophobicContact CG-CD1 4.47Å; L4-Y16 HydrophobicContact CG-CG 4.44Å; L4-M17 HydrophobicContact CD2-CE 4.1Å; L4-I43 PolarHBondContact N-O 3.44Å; L4-A47 HydrophobicContact CB-CB 4.38Å; L4-A47 HydrophobicContact CD2-CB 4.09Å; L4-L72 HydrophobicContact CD2-CD1 3.79Å
5D87.5Confident87.4Confident80 Ų8075.1 Ų75.143%0.42838%0.382SS..  trans-79.6112.4165.1175.915000109.5R3 N7 S8R3-D5 PolarHBondContact O-N 3.32Å; D5-N7 PolarHBondContact O-N 2.78Å; D5-N7 WeakPolarHBondContact OD1-CB 3.48Å; D5-N7 PolarHBondContact OD1-N 2.95Å; D5-N7 PolarHBondContact OD1-ND2 2.96Å; D5-S8 WeakPolarHBondContact O-CB 3.35Å; D5-S8 PolarHBondContact O-N 2.79Å; D5-S8 PolarHBondContact O-OG 3.01Å
6I85.2Confident87.8Confident29 Ų2970.6 Ų70.615%0.14936%0.359CS..THydrogen-bonded Turntrans-71.5-14.2179.958.9168.9000113.6L4 E46 A47 L50L4-I6 PolarHBondContact O-N 2.93Å; I6-E46 HydrophobicContact CD1-CB 3.99Å; I6-E46 HydrophobicContact CG1-CB 4.29Å; I6-A47 HydrophobicContact CG2-CB 3.71Å; I6-L50 HydrophobicContact CG2-CD2 4.14Å
7N82.1Confident88.2Confident125 Ų12566.6 Ų66.667%0.66834%0.338SS*.THydrogen-bonded Turntrans-91.1-5177.6-48-79.4000112.1D5D5-N7 PolarHBondContact O-N 2.78Å; D5-N7 WeakPolarHBondContact OD1-CB 3.48Å; D5-N7 PolarHBondContact OD1-N 2.95Å; D5-N7 PolarHBondContact OD1-ND2 2.96Å
8S82.1Confident88.5Confident21 Ų2169.6 Ų69.615%0.14735%0.351CS..SBendtrans-70.8161179.6710000112.6D5D5-S8 WeakPolarHBondContact O-CB 3.35Å; D5-S8 PolarHBondContact O-N 2.79Å; D5-S8 PolarHBondContact O-OG 3.01Å
9G84Confident88.8Confident36 Ų3671.5 Ų71.537%0.37135%0.353SS..  trans-68.5160.4176.300000112.3N11 A12 F13G9-N11 VanDerWaalsContact C-N 3.25Å; G9-N11 PolarHBondContact O-N 3.39Å; G9-N11 VanDerWaalsContact O-N 3.13Å; G9-A12 PolarHBondContact O-N 3.35Å; G9-F13 PolarHBondContact O-N 3.42Å
10F88.3Confident89.1Confident64 Ų6468 Ų6828%0.28134%0.336SS..Hα-helixtrans-45.7-45178.8-176.8-96.2000114.2A12 F13 E14 L73 K77F10-A12 PolarHBondContact O-N 3.45Å; F10-F13 WeakPolarHBondContact O-CB 3.32Å; F10-F13 PolarHBondContact O-N 3.13Å; F10-E14 HydrophobicContact CD1-CG 4.4Å; F10-E14 HydrophobicContact CE1-CG 3.99Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.39Å; F10-E14 VanDerWaalsContact CE1-OE2 3.23Å; F10-E14 WeakPolarHBondContact CE1-OE2 3.27Å; F10-E14 HydrophobicContact CZ-CG 4.21Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.3Å; F10-E14 PolarHBondContact O-N 3.35Å; F10-E14 VanDerWaalsContact O-N 3.09Å; F10-L73 HydrophobicContact CD2-CD1 4.25Å; F10-L73 HydrophobicContact CE2-CD1 3.5Å; F10-L73 HydrophobicContact CZ-CD1 4.24Å; F10-K77 HydrophobicContact CD2-CG 4.2Å; F10-K77 HydrophobicContact CE2-CD 4.48Å; F10-K77 HydrophobicContact CE2-CG 4.04Å
11N88.1Confident89.3Confident110 Ų11067.7 Ų67.759%0.58833%0.334SS*.Hα-helixtrans-61.7-42.1-180-57.722.1000112.6G9 F13 E14 E15G9-N11 VanDerWaalsContact C-N 3.25Å; G9-N11 PolarHBondContact O-N 3.39Å; G9-N11 VanDerWaalsContact O-N 3.13Å; N11-F13 VanDerWaalsContact C-N 3.27Å; N11-F13 PolarHBondContact O-N 3.5Å; N11-E14 PolarHBondContact O-N 3.02Å; N11-E14 VanDerWaalsContact O-N 3.12Å; N11-E15 WeakPolarHBondContact O-CG 3.44Å; N11-E15 PolarHBondContact O-N 2.9Å
12A90Very high89.9Confident38 Ų3867.3 Ų67.331%0.31433%0.333SS..Hα-helixtrans-68-29.5179.900000112.1G9 F10 Y16G9-A12 PolarHBondContact O-N 3.35Å; F10-A12 PolarHBondContact O-N 3.45Å; A12-Y16 WeakPolarHBondContact O-CB 3.4Å; A12-Y16 PolarHBondContact O-N 3.45Å
13F92.2Very high90.3Very high3 Ų364.5 Ų64.51%0.01332%0.317CS..Hα-helixtrans-67.2-43.9169173.8-92.7000112L4 G9 F10 N11 Y16 M17 K69 L72 L73 I76L4-F13 HydrophobicContact CD1-CD2 3.99Å; L4-F13 HydrophobicContact CD2-CD2 3.95Å; L4-F13 HydrophobicContact CD2-CE2 4.06Å; G9-F13 PolarHBondContact O-N 3.42Å; F10-F13 WeakPolarHBondContact O-CB 3.32Å; F10-F13 PolarHBondContact O-N 3.13Å; N11-F13 VanDerWaalsContact C-N 3.27Å; N11-F13 PolarHBondContact O-N 3.5Å; F13-Y16 PolarHBondContact O-N 3.09Å; F13-M17 HydrophobicContact CD1-CG 4.23Å; F13-M17 HydrophobicContact CD2-CE 3.96Å; F13-M17 HydrophobicContact CD2-CG 4.48Å; F13-M17 HydrophobicContact CE1-CE 4.45Å; F13-M17 HydrophobicContact CE1-CG 3.77Å; F13-M17 HydrophobicContact CE2-CE 3.19Å; F13-M17 HydrophobicContact CE2-CG 4.11Å; F13-M17 HydrophobicContact CE2-SD 4.42Å; F13-M17 HydrophobicContact CZ-CE 3.5Å; F13-M17 HydrophobicContact CZ-CG 3.74Å; F13-M17 HydrophobicContact CZ-SD 4.22Å; F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.43Å; F13-M17 PolarHBondContact O-N 3.4Å; F13-K69 HydrophobicContact CZ-CG 4.48Å; F13-L72 HydrophobicContact CE2-CB 3.58Å; F13-L72 HydrophobicContact CE2-CD1 4.19Å; F13-L72 HydrophobicContact CZ-CB 3.94Å; F13-L73 HydrophobicContact CD1-CD1 4Å; F13-L73 HydrophobicContact CE1-CB 3.9Å; F13-L73 HydrophobicContact CE1-CD1 3.71Å; F13-L73 HydrophobicContact CE1-CG 4.35Å; F13-L73 HydrophobicContact CZ-CB 4.05Å; F13-I76 HydrophobicContact CB-CD1 4Å; F13-I76 HydrophobicContact CB-CG2 4.34Å; F13-I76 HydrophobicContact CD2-CD1 3.15Å; F13-I76 HydrophobicContact CE2-CD1 3.69Å; F13-I76 HydrophobicContact CG-CD1 3.7Å
14E92.1Very high90.4Very high97 Ų9756.3 Ų56.345%0.45329%0.288SS..Hα-helixtrans-64.7-46.2177.2-68.4-168.3143.600111.6F10 N11 Y16 M17 E18F10-E14 HydrophobicContact CD1-CG 4.4Å; F10-E14 HydrophobicContact CE1-CG 3.99Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.39Å; F10-E14 VanDerWaalsContact CE1-OE2 3.23Å; F10-E14 WeakPolarHBondContact CE1-OE2 3.27Å; F10-E14 HydrophobicContact CZ-CG 4.21Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.3Å; F10-E14 PolarHBondContact O-N 3.35Å; F10-E14 VanDerWaalsContact O-N 3.09Å; N11-E14 PolarHBondContact O-N 3.02Å; N11-E14 VanDerWaalsContact O-N 3.12Å; E14-Y16 VanDerWaalsContact C-N 3.28Å; E14-Y16 PolarHBondContact O-N 2.83Å; E14-M17 PolarHBondContact O-N 3.43Å; E14-M17 VanDerWaalsContact O-N 3.07Å; E14-E18 PolarHBondContact O-N 3.48Å
15E92.4Very high90.4Very high115 Ų11561.5 Ų61.554%0.53731%0.313SS..Hα-helixtrans-59.3-35.8173.6-71.3171.5-157.400112.6N11 R19N11-E15 WeakPolarHBondContact O-CG 3.44Å; N11-E15 PolarHBondContact O-N 2.9Å; E15-R19 WeakPolarHBondContact O-CB 3.46Å; E15-R19 VanDerWaalsContact O-CG 3.26Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 3.19Å; E15-R19 PolarHBondContact O-NE 3.33Å
16Y94.4Very high90.5Very high3 Ų362.4 Ų62.41%0.01232%0.322CS..Hα-helixtrans-65.5-47.1172.2-179.8-82.3000111.5M1 E2 L4 A12 F13 E14 R19 F20 F42 I43M1-Y16 HydrophobicContact CG-CE2 4.45Å; E2-Y16 WeakPolarHBondContact O-CE2 3.38Å; L4-Y16 HydrophobicContact CB-CD1 4.16Å; L4-Y16 HydrophobicContact CB-CD2 3.96Å; L4-Y16 HydrophobicContact CB-CE1 4.12Å; L4-Y16 HydrophobicContact CB-CE2 3.9Å; L4-Y16 HydrophobicContact CB-CG 4.12Å; L4-Y16 HydrophobicContact CD1-CD1 4.03Å; L4-Y16 HydrophobicContact CD1-CD2 4.18Å; L4-Y16 HydrophobicContact CD1-CG 3.71Å; L4-Y16 HydrophobicContact CG-CD1 4.47Å; L4-Y16 HydrophobicContact CG-CG 4.44Å; A12-Y16 WeakPolarHBondContact O-CB 3.4Å; A12-Y16 PolarHBondContact O-N 3.45Å; F13-Y16 PolarHBondContact O-N 3.09Å; E14-Y16 VanDerWaalsContact C-N 3.28Å; E14-Y16 PolarHBondContact O-N 2.83Å; Y16-R19 PolarHBondContact O-N 3.15Å; Y16-F20 HydrophobicContact CE1-CB 4.35Å; Y16-F20 PolarHBondContact O-N 3.37Å; Y16-F42 PolarHBondContact OH-O 3.12Å; Y16-I43 HydrophobicContact CE1-CG2 4Å; Y16-I43 WeakPolarHBondContact OH-CA 3.36Å; Y16-I43 PolarHBondContact OH-N 3.43Å
17M94.2Very high90.6Very high2 Ų264.1 Ų64.11%0.0133%0.328CS..Hα-helixtrans-66.5-40.8-177.5-70.3-62.6155.700111.9L4 F13 E14 F20 E21 F39 K69 L72L4-M17 HydrophobicContact CD2-CE 4.1Å; F13-M17 HydrophobicContact CD1-CG 4.23Å; F13-M17 HydrophobicContact CD2-CE 3.96Å; F13-M17 HydrophobicContact CD2-CG 4.48Å; F13-M17 HydrophobicContact CE1-CE 4.45Å; F13-M17 HydrophobicContact CE1-CG 3.77Å; F13-M17 HydrophobicContact CE2-CE 3.19Å; F13-M17 HydrophobicContact CE2-CG 4.11Å; F13-M17 HydrophobicContact CE2-SD 4.42Å; F13-M17 HydrophobicContact CZ-CE 3.5Å; F13-M17 HydrophobicContact CZ-CG 3.74Å; F13-M17 HydrophobicContact CZ-SD 4.22Å; F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.43Å; F13-M17 PolarHBondContact O-N 3.4Å; E14-M17 PolarHBondContact O-N 3.43Å; E14-M17 VanDerWaalsContact O-N 3.07Å; M17-F20 PolarHBondContact O-N 3Å; M17-E21 WeakPolarHBondContact O-CB 3.25Å; M17-E21 WeakPolarHBondContact O-CG 3.5Å; M17-E21 PolarHBondContact O-N 2.85Å; M17-F39 HydrophobicContact CE-CE2 3.65Å; M17-F39 HydrophobicContact CE-CZ 3.59Å; M17-F39 HydrophobicContact SD-CE2 3.68Å; M17-F39 HydrophobicContact SD-CZ 4.01Å; M17-K69 HydrophobicContact CG-CG 4.37Å; M17-K69 HydrophobicContact SD-CD 4.46Å; M17-K69 HydrophobicContact SD-CG 4.07Å; M17-L72 HydrophobicContact CE-CD1 4.03Å
18E93.9Very high90.4Very high121 Ų12165.3 Ų65.357%0.56533%0.33SS*.Hα-helixtrans-60.9-46.5174.1-176.6176.5-15900111.1E14 F20 E21 I22E14-E18 PolarHBondContact O-N 3.48Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.27Å; E18-E21 PolarHBondContact O-N 3.36Å; E18-I22 HydrophobicContact CG-CD1 3.88Å; E18-I22 WeakPolarHBondContact O-CB 3.19Å; E18-I22 VanDerWaalsContact O-CG1 3.29Å; E18-I22 WeakPolarHBondContact O-CG1 3.08Å; E18-I22 PolarHBondContact O-N 3.18Å
19R94Very high90.4Very high106 Ų10671.8 Ų71.840%0.436%0.363SS..Hα-helixtrans-58.8-39.8173.9-73.6-175-63.4164.90112.3M1 E2 E15 Y16 W23M1-R19 HydrophobicContact CE-CB 4.2Å; M1-R19 WeakPolarHBondContact CE-O 2.97Å; E2-R19 IonicContact OE2-CZ 2.71Å; E2-R19 VanDerWaalsContact OE2-CZ 3.27Å; E2-R19 IonicContact OE2-NH1 3.4Å; E2-R19 PolarHBondContact OE2-NH1 3.25Å; E2-R19 IonicContact OE2-NH2 2.64Å; E2-R19 PolarHBondContact OE2-NH2 3.14Å; E15-R19 WeakPolarHBondContact O-CB 3.46Å; E15-R19 VanDerWaalsContact O-CG 3.26Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 3.19Å; E15-R19 PolarHBondContact O-NE 3.33Å; Y16-R19 PolarHBondContact O-N 3.15Å; R19-W23 WeakPolarHBondContact O-CB 3.18Å; R19-W23 PolarHBondContact O-N 2.82Å; R19-W23 VanDerWaalsContact O-N 3.09Å
20F94.7Very high90.4Very high0 Ų073.9 Ų73.90%037%0.365CS..Hα-helixtrans-67.2-42.8176.1178-95.5000112.4M1 Y16 M17 E18 W23 A24 I35 F39 F42 Y65M1-F20 HydrophobicContact CE-CB 4.44Å; M1-F20 HydrophobicContact SD-CB 4.09Å; M1-F20 HydrophobicContact SD-CD2 3.93Å; Y16-F20 HydrophobicContact CE1-CB 4.35Å; Y16-F20 PolarHBondContact O-N 3.37Å; M17-F20 PolarHBondContact O-N 3Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.27Å; F20-W23 HydrophobicContact CD2-CE3 4.16Å; F20-W23 AromaticContact CE2-CE3 3.84Å; F20-W23 HydrophobicContact CE2-CE3 3.84Å; F20-W23 AromaticContact CE2-CZ3 3.92Å; F20-W23 HydrophobicContact CE2-CZ3 3.92Å; F20-W23 HydrophobicContact CZ-CE3 4.48Å; F20-W23 HydrophobicContact CZ-CZ3 4.37Å; F20-W23 PolarHBondContact O-N 3.2Å; F20-A24 HydrophobicContact CE1-CB 4.45Å; F20-A24 WeakPolarHBondContact O-CB 3.21Å; F20-A24 PolarHBondContact O-N 3.4Å; F20-I35 HydrophobicContact CE1-CD1 4.24Å; F20-I35 HydrophobicContact CE1-CG1 3.92Å; F20-I35 HydrophobicContact CZ-CG1 3.99Å; F20-F39 AromaticContact CD1-CD2 3.8Å; F20-F39 HydrophobicContact CD1-CD2 3.8Å; F20-F39 HydrophobicContact CD1-CE2 4.34Å; F20-F39 HydrophobicContact CD2-CD2 4.18Å; F20-F39 HydrophobicContact CE1-CB 4.03Å; F20-F39 AromaticContact CE1-CD2 3.66Å; F20-F39 HydrophobicContact CE1-CD2 3.66Å; F20-F39 HydrophobicContact CE1-CG 4.24Å; F20-F39 HydrophobicContact CE2-CB 4.09Å; F20-F39 HydrophobicContact CE2-CD2 4.06Å; F20-F39 HydrophobicContact CG-CD2 4.07Å; F20-F39 HydrophobicContact CZ-CB 3.55Å; F20-F39 AromaticContact CZ-CD2 3.81Å; F20-F39 HydrophobicContact CZ-CD2 3.81Å; F20-F39 HydrophobicContact CZ-CG 4.17Å; F20-F42 HydrophobicContact CE2-CD2 4.11Å; F20-Y65 AromaticContact CD1-CE2 3.83Å; F20-Y65 HydrophobicContact CD1-CE2 3.83Å; F20-Y65 AromaticContact CD1-CZ 3.93Å; F20-Y65 HydrophobicContact CE1-CD2 4.12Å; F20-Y65 AromaticContact CE1-CE2 3.52Å; F20-Y65 HydrophobicContact CE1-CE2 3.52Å; F20-Y65 AromaticContact CE1-CZ 3.92Å
21E93.8Very high90Very high63 Ų6380.5 Ų80.529%0.29440%0.397SS..Hα-helixtrans-69.3-38.1-179.8-72.5171.515400111.5M17 E18 A24 M25 Y65 K69M17-E21 WeakPolarHBondContact O-CB 3.25Å; M17-E21 WeakPolarHBondContact O-CG 3.5Å; M17-E21 PolarHBondContact O-N 2.85Å; E18-E21 PolarHBondContact O-N 3.36Å; E21-A24 PolarHBondContact O-N 3.5Å; E21-M25 WeakPolarHBondContact O-CG 3.45Å; E21-M25 PolarHBondContact O-N 3.04Å; E21-Y65 HydrophobicContact CG-CE1 4.25Å; E21-Y65 WeakPolarHBondContact CG-OH 3.46Å; E21-Y65 WeakPolarHBondContact OE1-CE1 3.36Å; E21-Y65 PolarHBondContact OE1-OH 2.87Å; E21-Y65 VanDerWaalsContact OE1-OH 3.06Å; E21-K69 IonicContact OE1-NZ 3.8Å; E21-K69 PolarHBondContact OE1-NZ 2.89Å; E21-K69 IonicContact OE2-NZ 2.83Å; E21-K69 PolarHBondContact OE2-NZ 3.41Å
22I92.8Very high89.6Confident90 Ų9083 Ų8346%0.46241%0.411SS..Hα-helixtrans-60.9-45170-67.8166.5000111.2E18 A24 M25 T26E18-I22 HydrophobicContact CG-CD1 3.88Å; E18-I22 WeakPolarHBondContact O-CB 3.19Å; E18-I22 VanDerWaalsContact O-CG1 3.29Å; E18-I22 WeakPolarHBondContact O-CG1 3.08Å; E18-I22 PolarHBondContact O-N 3.18Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 3.21Å; I22-M25 HydrophobicContact CB-CE 4.44Å; I22-M25 HydrophobicContact CG1-CE 4.1Å; I22-M25 PolarHBondContact O-N 3.12Å; I22-T26 PolarHBondContact O-N 2.96Å
23W93.8Very high89.5Confident63 Ų6383.4 Ų83.424%0.23941%0.405CS..Hα-helixtrans-65-36.5176174.282.7000112.4M1 R19 F20 T26 K27 F33 H38 F42M1-W23 HydrophobicContact CE-CB 3.68Å; M1-W23 HydrophobicContact CE-CG 4.14Å; R19-W23 WeakPolarHBondContact O-CB 3.18Å; R19-W23 PolarHBondContact O-N 2.82Å; R19-W23 VanDerWaalsContact O-N 3.09Å; F20-W23 HydrophobicContact CD2-CE3 4.16Å; F20-W23 AromaticContact CE2-CE3 3.84Å; F20-W23 HydrophobicContact CE2-CE3 3.84Å; F20-W23 AromaticContact CE2-CZ3 3.92Å; F20-W23 HydrophobicContact CE2-CZ3 3.92Å; F20-W23 HydrophobicContact CZ-CE3 4.48Å; F20-W23 HydrophobicContact CZ-CZ3 4.37Å; F20-W23 PolarHBondContact O-N 3.2Å; W23-T26 PolarHBondContact O-N 3.18Å; W23-T26 PolarHBondContact O-OG1 3.15Å; W23-K27 HydrophobicContact CH2-CG 4.17Å; W23-K27 HydrophobicContact CZ2-CG 3.91Å; W23-F33 AromaticContact CH2-CE2 3.82Å; W23-F33 HydrophobicContact CH2-CE2 3.82Å; W23-F33 AromaticContact CZ3-CE2 3.86Å; W23-F33 HydrophobicContact CZ3-CE2 3.86Å; W23-F33 HydrophobicContact CZ3-CZ 4.11Å; W23-H38 HydrophobicContact CH2-CB 3.73Å; W23-H38 AromaticContact CH2-CD2 3.53Å; W23-H38 AromaticContact CH2-CG 3.62Å; W23-H38 HydrophobicContact CZ3-CB 3.72Å; W23-F42 HydrophobicContact CD2-CE2 4.32Å; W23-F42 AromaticContact CE2-CE2 4Å; W23-F42 HydrophobicContact CE3-CD2 4.43Å; W23-F42 HydrophobicContact CE3-CE2 4.17Å; W23-F42 HydrophobicContact CH2-CD2 4.35Å; W23-F42 AromaticContact CH2-CE2 3.5Å; W23-F42 HydrophobicContact CH2-CE2 3.5Å; W23-F42 VanDerWaalsContact CH2-CE2 3.5Å; W23-F42 HydrophobicContact CH2-CZ 4.3Å; W23-F42 AromaticContact CZ2-CE2 3.59Å; W23-F42 HydrophobicContact CZ2-CE2 3.59Å; W23-F42 AromaticContact CZ2-CZ 3.94Å; W23-F42 HydrophobicContact CZ2-CZ 3.94Å; W23-F42 HydrophobicContact CZ3-CD2 4.2Å; W23-F42 AromaticContact CZ3-CE2 3.78Å; W23-F42 HydrophobicContact CZ3-CE2 3.78Å
24A92.1Very high89.4Confident8 Ų886.8 Ų86.87%0.06642%0.424CS..Hα-helixtrans-67.6-37177.100000112.2F20 E21 I22 T26 K27 E28 F33 I35F20-A24 HydrophobicContact CE1-CB 4.45Å; F20-A24 WeakPolarHBondContact O-CB 3.21Å; F20-A24 PolarHBondContact O-N 3.4Å; E21-A24 PolarHBondContact O-N 3.5Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 3.21Å; A24-T26 VanDerWaalsContact C-N 3.29Å; A24-T26 PolarHBondContact O-N 2.93Å; A24-K27 CarbonylContact O-C 3.54Å; A24-K27 WeakPolarHBondContact O-CA 3.23Å; A24-K27 WeakPolarHBondContact O-CB 3.39Å; A24-K27 PolarHBondContact O-N 3.11Å; A24-E28 PolarHBondContact O-N 3.18Å; A24-F33 HydrophobicContact CB-CE1 4.22Å; A24-F33 HydrophobicContact CB-CZ 3.8Å; A24-I35 HydrophobicContact CB-CD1 4.1Å; A24-I35 HydrophobicContact CB-CG1 4.4Å
25M90.5Very high89.5Confident118 Ų11884.6 Ų84.658%0.58142%0.415SS*.Hα-helixtrans-63.9-29.9174.7-72.6-175.9-66.100112.8E21 I22 K27E21-M25 WeakPolarHBondContact O-CG 3.45Å; E21-M25 PolarHBondContact O-N 3.04Å; I22-M25 HydrophobicContact CB-CE 4.44Å; I22-M25 HydrophobicContact CG1-CE 4.1Å; I22-M25 PolarHBondContact O-N 3.12Å; M25-K27 PolarHBondContact O-N 3.39Å
26T89.8Confident89.5Confident99 Ų9979.8 Ų79.861%0.60739%0.393SS*.THydrogen-bonded Turntrans-75.94.5173.169.50000113.8I22 W23 A24I22-T26 PolarHBondContact O-N 2.96Å; W23-T26 PolarHBondContact O-N 3.18Å; W23-T26 PolarHBondContact O-OG1 3.15Å; A24-T26 VanDerWaalsContact C-N 3.29Å; A24-T26 PolarHBondContact O-N 2.93Å
27K88.7Confident89.5Confident64 Ų6481.2 Ų81.228%0.27841%0.406SS..THydrogen-bonded Turntrans-126.14.4-177.9-76.8-75144.4-149.80113.5W23 A24 M25 D29 D30 F33W23-K27 HydrophobicContact CH2-CG 4.17Å; W23-K27 HydrophobicContact CZ2-CG 3.91Å; A24-K27 CarbonylContact O-C 3.54Å; A24-K27 WeakPolarHBondContact O-CA 3.23Å; A24-K27 WeakPolarHBondContact O-CB 3.39Å; A24-K27 PolarHBondContact O-N 3.11Å; M25-K27 PolarHBondContact O-N 3.39Å; K27-D29 VanDerWaalsContact C-N 3.26Å; K27-D29 PolarHBondContact O-N 2.96Å; K27-D30 WeakPolarHBondContact CD-OD2 3.24Å; K27-D30 WeakPolarHBondContact CE-OD2 3.31Å; K27-D30 IonicContact NZ-OD1 2.75Å; K27-D30 PolarHBondContact NZ-OD1 3.42Å; K27-D30 IonicContact NZ-OD2 2.83Å; K27-D30 PolarHBondContact NZ-OD2 3.36Å; K27-D30 PolarHBondContact O-N 2.78Å; K27-F33 HydrophobicContact CB-CD2 3.64Å; K27-F33 HydrophobicContact CB-CE1 4.46Å; K27-F33 HydrophobicContact CB-CE2 3.55Å; K27-F33 HydrophobicContact CB-CG 4.17Å; K27-F33 HydrophobicContact CB-CZ 3.98Å; K27-F33 HydrophobicContact CG-CE2 4.31Å; K27-F33 WeakPolarHBondContact O-CB 3.21Å; K27-F33 WeakPolarHBondContact O-CG 3.23Å
28E77.4Confident89.4Confident150 Ų15084.1 Ų84.170%0.70142%0.419SS*.THydrogen-bonded Turntrans-67.2-25-177.2-166.3166.2-174.100113.2A24A24-E28 PolarHBondContact O-N 3.18Å
29D81.8Confident89.4Confident157 Ų15778.3 Ų78.384%0.8439%0.392SS*.THydrogen-bonded Turntrans-80.5-10.3176.8-61.7-46.1000114.4K27 E31K27-D29 VanDerWaalsContact C-N 3.26Å; K27-D29 PolarHBondContact O-N 2.96Å; D29-E31 PolarHBondContact O-N 3.34Å
30D83.8Confident89.4Confident80 Ų8074.7 Ų74.743%0.42838%0.38SS..  trans-81.1113.1178.1-73.3-2.9000109.4K27 D32 F33K27-D30 WeakPolarHBondContact CD-OD2 3.24Å; K27-D30 WeakPolarHBondContact CE-OD2 3.31Å; K27-D30 IonicContact NZ-OD1 2.75Å; K27-D30 PolarHBondContact NZ-OD1 3.42Å; K27-D30 IonicContact NZ-OD2 2.83Å; K27-D30 PolarHBondContact NZ-OD2 3.36Å; K27-D30 PolarHBondContact O-N 2.78Å; D30-D32 PolarHBondContact O-N 3.24Å; D30-D32 VanDerWaalsContact O-N 3.08Å; D30-F33 HydrophobicContact CB-CB 4.14Å; D30-F33 WeakPolarHBondContact O-CB 3.47Å; D30-F33 PolarHBondContact O-N 3.44Å
31E79.5Confident89.3Confident204 Ų20479.7 Ų79.795%0.95341%0.411SS*.THydrogen-bonded Turntrans-56-30.5-176.8-66-171.5167.600114D29 F33D29-E31 PolarHBondContact O-N 3.34Å; E31-F33 VanDerWaalsContact C-N 3.31Å; E31-F33 PolarHBondContact O-N 3.27Å
32D80.8Confident89.2Confident163 Ų16379.4 Ų79.487%0.87241%0.409SS*.THydrogen-bonded Turntrans-85.710177.2-73.1-43.3000113.9D30 N34D30-D32 PolarHBondContact O-N 3.24Å; D30-D32 VanDerWaalsContact O-N 3.08Å; D32-N34 PolarHBondContact O-N 3.45Å
33F86.6Confident89.2Confident45 Ų4575.1 Ų75.120%0.19739%0.387CS..  trans-70.891.2-173.2-176.4-116.3000114.2W23 A24 K27 D30 E31 I35 H38W23-F33 AromaticContact CH2-CE2 3.82Å; W23-F33 HydrophobicContact CH2-CE2 3.82Å; W23-F33 AromaticContact CZ3-CE2 3.86Å; W23-F33 HydrophobicContact CZ3-CE2 3.86Å; W23-F33 HydrophobicContact CZ3-CZ 4.11Å; A24-F33 HydrophobicContact CB-CE1 4.22Å; A24-F33 HydrophobicContact CB-CZ 3.8Å; K27-F33 HydrophobicContact CB-CD2 3.64Å; K27-F33 HydrophobicContact CB-CE1 4.46Å; K27-F33 HydrophobicContact CB-CE2 3.55Å; K27-F33 HydrophobicContact CB-CG 4.17Å; K27-F33 HydrophobicContact CB-CZ 3.98Å; K27-F33 HydrophobicContact CG-CE2 4.31Å; K27-F33 WeakPolarHBondContact O-CB 3.21Å; K27-F33 WeakPolarHBondContact O-CG 3.23Å; D30-F33 HydrophobicContact CB-CB 4.14Å; D30-F33 WeakPolarHBondContact O-CB 3.47Å; D30-F33 PolarHBondContact O-N 3.44Å; E31-F33 VanDerWaalsContact C-N 3.31Å; E31-F33 PolarHBondContact O-N 3.27Å; F33-I35 HydrophobicContact CD1-CB 4.43Å; F33-I35 HydrophobicContact CE1-CB 3.68Å; F33-I35 HydrophobicContact CE1-CG1 4.15Å; F33-I35 HydrophobicContact CZ-CB 3.92Å; F33-I35 HydrophobicContact CZ-CG1 4.12Å; F33-I35 PolarHBondContact O-N 3.38Å; F33-H38 AromaticContact CD2-CE1 3.75Å; F33-H38 AromaticContact CD2-ND1 3.61Å; F33-H38 HydrophobicContact CE2-CB 4.4Å; F33-H38 AromaticContact CE2-CG 3.99Å; F33-H38 AromaticContact CE2-ND1 3.51Å
34N90.8Very high89Confident75 Ų7572.5 Ų72.540%0.40138%0.38SS..  trans-85.495.5167.4-170.8-34.2000111.1D32 V36 A37 H38D32-N34 PolarHBondContact O-N 3.45Å; N34-V36 PolarHBondContact O-N 2.81Å; N34-V36 WeakPolarHBondContact OD1-CB 3.48Å; N34-V36 PolarHBondContact OD1-N 2.92Å; N34-A37 HydrophobicContact CB-CB 3.9Å; N34-A37 PolarHBondContact O-N 3.22Å; N34-A37 PolarHBondContact OD1-N 3.04Å; N34-H38 PolarHBondContact O-N 2.96Å; N34-H38 VanDerWaalsContact O-N 3.11Å; N34-H38 PolarHBondContact O-ND1 3.14Å
35I93.2Very high88.9Confident51 Ų5178.4 Ų78.426%0.26240%0.404SS..Hα-helixtrans-54-35176.7-170.8171.5000113.2F20 A24 F33 F39 Y65F20-I35 HydrophobicContact CE1-CD1 4.24Å; F20-I35 HydrophobicContact CE1-CG1 3.92Å; F20-I35 HydrophobicContact CZ-CG1 3.99Å; A24-I35 HydrophobicContact CB-CD1 4.1Å; A24-I35 HydrophobicContact CB-CG1 4.4Å; F33-I35 HydrophobicContact CD1-CB 4.43Å; F33-I35 HydrophobicContact CE1-CB 3.68Å; F33-I35 HydrophobicContact CE1-CG1 4.15Å; F33-I35 HydrophobicContact CZ-CB 3.92Å; F33-I35 HydrophobicContact CZ-CG1 4.12Å; F33-I35 PolarHBondContact O-N 3.38Å; I35-F39 VanDerWaalsContact O-CB 3.22Å; I35-F39 WeakPolarHBondContact O-CB 3.42Å; I35-F39 PolarHBondContact O-N 3.4Å; I35-Y65 HydrophobicContact CD1-CD1 3.97Å; I35-Y65 HydrophobicContact CD1-CD2 4.44Å; I35-Y65 HydrophobicContact CD1-CE1 4.42Å; I35-Y65 HydrophobicContact CD1-CG 3.99Å; I35-Y65 HydrophobicContact CG1-CD2 4.4Å; I35-Y65 HydrophobicContact CG1-CG 4.29Å
36V94.2Very high88.8Confident13 Ų1378.4 Ų78.48%0.07940%0.402CS..Hα-helixtrans-71.7-42.2-178.91790000111.2N34 F39 L40 I61 L68N34-V36 PolarHBondContact O-N 2.81Å; N34-V36 WeakPolarHBondContact OD1-CB 3.48Å; N34-V36 PolarHBondContact OD1-N 2.92Å; V36-F39 PolarHBondContact O-N 2.79Å; V36-L40 HydrophobicContact CG1-CD1 4Å; V36-L40 HydrophobicContact CG1-CG 4.45Å; V36-L40 WeakPolarHBondContact O-CB 3.46Å; V36-L40 VanDerWaalsContact O-CG 3.31Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.16Å; V36-I61 HydrophobicContact CB-CD1 4.42Å; V36-I61 HydrophobicContact CG1-CD1 4.03Å; V36-L68 HydrophobicContact CG1-CD1 3.69Å
37A92.7Very high88.9Confident34 Ų3473.7 Ų73.728%0.28137%0.373SS..Hα-helixtrans-62.6-45.517600000111.4N34 T41 I61N34-A37 HydrophobicContact CB-CB 3.9Å; N34-A37 PolarHBondContact O-N 3.22Å; N34-A37 PolarHBondContact OD1-N 3.04Å; A37-T41 WeakPolarHBondContact O-CB 3.23Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 VanDerWaalsContact O-N 3.14Å; A37-T41 PolarHBondContact O-OG1 3.45Å; A37-I61 HydrophobicContact CB-CD1 4.01Å
38H92.7Very high89Confident62 Ų6271.6 Ų71.629%0.28737%0.367SS..Hα-helixtrans-63.2-45.3175.5-70.8102.4000111.9W23 F33 N34 L40 T41 F42W23-H38 HydrophobicContact CH2-CB 3.73Å; W23-H38 AromaticContact CH2-CD2 3.53Å; W23-H38 AromaticContact CH2-CG 3.62Å; W23-H38 HydrophobicContact CZ3-CB 3.72Å; F33-H38 AromaticContact CD2-CE1 3.75Å; F33-H38 AromaticContact CD2-ND1 3.61Å; F33-H38 HydrophobicContact CE2-CB 4.4Å; F33-H38 AromaticContact CE2-CG 3.99Å; F33-H38 AromaticContact CE2-ND1 3.51Å; N34-H38 PolarHBondContact O-N 2.96Å; N34-H38 VanDerWaalsContact O-N 3.11Å; N34-H38 PolarHBondContact O-ND1 3.14Å; H38-L40 PolarHBondContact O-N 3.18Å; H38-T41 WeakPolarHBondContact O-CB 3.48Å; H38-T41 PolarHBondContact O-N 3.11Å; H38-T41 VanDerWaalsContact O-N 3.08Å; H38-F42 HydrophobicContact CB-CD2 4.29Å; H38-F42 HydrophobicContact CB-CE2 4.15Å; H38-F42 WeakPolarHBondContact O-CD2 3.39Å; H38-F42 PolarHBondContact O-N 3.33Å
39F94.7Very high89.7Confident0 Ų067.3 Ų67.30%035%0.353CS..Hα-helixtrans-56-52.6176.6-175.9-116.3000112.1M17 F20 I35 V36 T41 F42 I43 I51 Y65 L68 L72M17-F39 HydrophobicContact CE-CE2 3.65Å; M17-F39 HydrophobicContact CE-CZ 3.59Å; M17-F39 HydrophobicContact SD-CE2 3.68Å; M17-F39 HydrophobicContact SD-CZ 4.01Å; F20-F39 AromaticContact CD1-CD2 3.8Å; F20-F39 HydrophobicContact CD1-CD2 3.8Å; F20-F39 HydrophobicContact CD1-CE2 4.34Å; F20-F39 HydrophobicContact CD2-CD2 4.18Å; F20-F39 HydrophobicContact CE1-CB 4.03Å; F20-F39 AromaticContact CE1-CD2 3.66Å; F20-F39 HydrophobicContact CE1-CD2 3.66Å; F20-F39 HydrophobicContact CE1-CG 4.24Å; F20-F39 HydrophobicContact CE2-CB 4.09Å; F20-F39 HydrophobicContact CE2-CD2 4.06Å; F20-F39 HydrophobicContact CG-CD2 4.07Å; F20-F39 HydrophobicContact CZ-CB 3.55Å; F20-F39 AromaticContact CZ-CD2 3.81Å; F20-F39 HydrophobicContact CZ-CD2 3.81Å; F20-F39 HydrophobicContact CZ-CG 4.17Å; I35-F39 VanDerWaalsContact O-CB 3.22Å; I35-F39 WeakPolarHBondContact O-CB 3.42Å; I35-F39 PolarHBondContact O-N 3.4Å; V36-F39 PolarHBondContact O-N 2.79Å; F39-T41 PolarHBondContact O-N 3.25Å; F39-T41 VanDerWaalsContact O-N 3.14Å; F39-F42 PolarHBondContact O-N 3.13Å; F39-I43 HydrophobicContact CD1-CG2 4.31Å; F39-I43 HydrophobicContact CD2-CG2 3.71Å; F39-I43 HydrophobicContact CE1-CD1 4.39Å; F39-I43 HydrophobicContact CE1-CG2 4.05Å; F39-I43 HydrophobicContact CE2-CG2 3.4Å; F39-I43 VanDerWaalsContact CE2-CG2 3.4Å; F39-I43 HydrophobicContact CG-CG2 4.17Å; F39-I43 HydrophobicContact CZ-CG2 3.6Å; F39-I43 WeakPolarHBondContact O-CG1 3.44Å; F39-I43 WeakPolarHBondContact O-CG2 3.33Å; F39-I43 PolarHBondContact O-N 3.05Å; F39-I51 HydrophobicContact CE1-CD1 3.85Å; F39-Y65 HydrophobicContact CB-CD2 4.23Å; F39-Y65 HydrophobicContact CB-CE2 4.43Å; F39-Y65 HydrophobicContact CD1-CD2 4.18Å; F39-Y65 HydrophobicContact CD1-CE2 4.26Å; F39-Y65 HydrophobicContact CD2-CD2 4.18Å; F39-Y65 AromaticContact CD2-CE2 3.6Å; F39-Y65 HydrophobicContact CD2-CE2 3.6Å; F39-Y65 HydrophobicContact CE1-CE2 4.39Å; F39-Y65 AromaticContact CE2-CE2 3.74Å; F39-Y65 HydrophobicContact CE2-CE2 3.74Å; F39-Y65 AromaticContact CG-CD2 3.95Å; F39-Y65 HydrophobicContact CG-CD2 3.95Å; F39-Y65 AromaticContact CG-CE2 3.85Å; F39-Y65 HydrophobicContact CG-CE2 3.85Å; F39-Y65 HydrophobicContact CZ-CE2 4.13Å; F39-L68 HydrophobicContact CD1-CB 4.24Å; F39-L68 HydrophobicContact CD1-CD1 4.11Å; F39-L68 HydrophobicContact CE1-CB 3.88Å; F39-L72 HydrophobicContact CE1-CD1 4.37Å; F39-L72 HydrophobicContact CZ-CD1 3.98Å
40L93.4Very high90.2Very high29 Ų2960.3 Ų60.315%0.15232%0.316CS..Hα-helixtrans-62-22.5178.8-68.5172.5000113.4V36 H38 I43 I51 P60 I61 L68V36-L40 HydrophobicContact CG1-CD1 4Å; V36-L40 HydrophobicContact CG1-CG 4.45Å; V36-L40 WeakPolarHBondContact O-CB 3.46Å; V36-L40 VanDerWaalsContact O-CG 3.31Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.16Å; H38-L40 PolarHBondContact O-N 3.18Å; L40-I43 HydrophobicContact CD2-CD1 4.13Å; L40-I51 HydrophobicContact CD2-CD1 4.16Å; L40-I51 HydrophobicContact CD2-CG2 4.09Å; L40-P60 HydrophobicContact CD1-CB 3.81Å; L40-P60 HydrophobicContact CD2-CB 3.93Å; L40-I61 HydrophobicContact CD1-CB 4.39Å; L40-I61 HydrophobicContact CD1-CD1 4.34Å; L40-L68 HydrophobicContact CD2-CD1 4.16Å; L40-L68 HydrophobicContact CG-CD1 4.34Å
41T91.6Very high90.6Very high106 Ų10656.5 Ų56.565%0.6530%0.295SS*.Hα-helixtrans-81-43.7175.5-57.10000111.9A37 H38 F39A37-T41 WeakPolarHBondContact O-CB 3.23Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 VanDerWaalsContact O-N 3.14Å; A37-T41 PolarHBondContact O-OG1 3.45Å; H38-T41 WeakPolarHBondContact O-CB 3.48Å; H38-T41 PolarHBondContact O-N 3.11Å; H38-T41 VanDerWaalsContact O-N 3.08Å; F39-T41 PolarHBondContact O-N 3.25Å; F39-T41 VanDerWaalsContact O-N 3.14Å
42F92.5Very high91.2Very high56 Ų5652.3 Ų52.325%0.24627%0.274CS..Hα-helixtrans-82.1-31-174.9-70.3-60.9000115.1M1 Y16 F20 W23 H38 F39 G44M1-F42 HydrophobicContact CB-CD1 3.87Å; M1-F42 HydrophobicContact CB-CE1 4.39Å; M1-F42 HydrophobicContact CB-CG 4.32Å; M1-F42 HydrophobicContact SD-CB 4.24Å; M1-F42 HydrophobicContact SD-CG 4.43Å; Y16-F42 PolarHBondContact OH-O 3.12Å; F20-F42 HydrophobicContact CE2-CD2 4.11Å; W23-F42 HydrophobicContact CD2-CE2 4.32Å; W23-F42 AromaticContact CE2-CE2 4Å; W23-F42 HydrophobicContact CE3-CD2 4.43Å; W23-F42 HydrophobicContact CE3-CE2 4.17Å; W23-F42 HydrophobicContact CH2-CD2 4.35Å; W23-F42 AromaticContact CH2-CE2 3.5Å; W23-F42 HydrophobicContact CH2-CE2 3.5Å; W23-F42 VanDerWaalsContact CH2-CE2 3.5Å; W23-F42 HydrophobicContact CH2-CZ 4.3Å; W23-F42 AromaticContact CZ2-CE2 3.59Å; W23-F42 HydrophobicContact CZ2-CE2 3.59Å; W23-F42 AromaticContact CZ2-CZ 3.94Å; W23-F42 HydrophobicContact CZ2-CZ 3.94Å; W23-F42 HydrophobicContact CZ3-CD2 4.2Å; W23-F42 AromaticContact CZ3-CE2 3.78Å; W23-F42 HydrophobicContact CZ3-CE2 3.78Å; H38-F42 HydrophobicContact CB-CD2 4.29Å; H38-F42 HydrophobicContact CB-CE2 4.15Å; H38-F42 WeakPolarHBondContact O-CD2 3.39Å; H38-F42 PolarHBondContact O-N 3.33Å; F39-F42 PolarHBondContact O-N 3.13Å; F42-G44 PolarHBondContact O-N 2.57Å; F42-G44 VanDerWaalsContact O-N 3.08Å
43I92.2Very high91.6Very high0 Ų048 Ų480%025%0.25CS..SBendtrans-61-21.6-176.959.5-179000114.3L4 Y16 F39 L40 A47 C48 I51L4-I43 PolarHBondContact N-O 3.44Å; Y16-I43 HydrophobicContact CE1-CG2 4Å; Y16-I43 WeakPolarHBondContact OH-CA 3.36Å; Y16-I43 PolarHBondContact OH-N 3.43Å; F39-I43 HydrophobicContact CD1-CG2 4.31Å; F39-I43 HydrophobicContact CD2-CG2 3.71Å; F39-I43 HydrophobicContact CE1-CD1 4.39Å; F39-I43 HydrophobicContact CE1-CG2 4.05Å; F39-I43 HydrophobicContact CE2-CG2 3.4Å; F39-I43 VanDerWaalsContact CE2-CG2 3.4Å; F39-I43 HydrophobicContact CG-CG2 4.17Å; F39-I43 HydrophobicContact CZ-CG2 3.6Å; F39-I43 WeakPolarHBondContact O-CG1 3.44Å; F39-I43 WeakPolarHBondContact O-CG2 3.33Å; F39-I43 PolarHBondContact O-N 3.05Å; L40-I43 HydrophobicContact CD2-CD1 4.13Å; I43-A47 HydrophobicContact CB-CB 3.85Å; I43-A47 HydrophobicContact CD1-CB 4.1Å; I43-A47 HydrophobicContact CG1-CB 4.07Å; I43-C48 HydrophobicContact CD1-CB 4.03Å; I43-C48 HydrophobicContact CG1-CB 4.19Å; I43-I51 HydrophobicContact CD1-CD1 3.55Å
44G90.8Very high91.8Very high9 Ų946.3 Ų46.39%0.09324%0.243CC..  trans89.3167.5-179.400000114.4F42 E46 C48F42-G44 PolarHBondContact O-N 2.57Å; F42-G44 VanDerWaalsContact O-N 3.08Å; G44-E46 PolarHBondContact O-N 3.46Å; G44-C48 WeakPolarHBondContact O-CB 3.32Å; G44-C48 PolarHBondContact O-N 3.22Å
45K89.7Confident91.8Very high132 Ų13242.9 Ų42.957%0.57423%0.225SC*.Hα-helixtrans-60.5-41-168.7-70.3-166.7175.2-167.20113.3S49K45-S49 VanDerWaalsContact O-CB 3.31Å; K45-S49 WeakPolarHBondContact O-CB 3.38Å; K45-S49 PolarHBondContact O-N 3.21Å; K45-S49 PolarHBondContact O-OG 3.06Å
46E87.5Confident91.6Very high117 Ų11744 Ų4455%0.54723%0.232SC..Hα-helixtrans-67.9-54.6-177.3-66.2179.9-159.700111.9I6 G44 C48 S49 L50I6-E46 HydrophobicContact CD1-CB 3.99Å; I6-E46 HydrophobicContact CG1-CB 4.29Å; G44-E46 PolarHBondContact O-N 3.46Å; E46-C48 VanDerWaalsContact C-N 3.31Å; E46-C48 PolarHBondContact O-N 3.28Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 VanDerWaalsContact O-N 3.12Å; E46-L50 WeakPolarHBondContact O-CB 3.39Å; E46-L50 PolarHBondContact O-N 3.41Å
47A92Very high91.3Very high0 Ų048.7 Ų48.70%026%0.262CS..Hα-helixtrans-59.2-39.2175.700000112.7L4 I6 I43 L50 I51 L72L4-A47 HydrophobicContact CB-CB 4.38Å; L4-A47 HydrophobicContact CD2-CB 4.09Å; I6-A47 HydrophobicContact CG2-CB 3.71Å; I43-A47 HydrophobicContact CB-CB 3.85Å; I43-A47 HydrophobicContact CD1-CB 4.1Å; I43-A47 HydrophobicContact CG1-CB 4.07Å; A47-L50 PolarHBondContact O-N 3.3Å; A47-I51 WeakPolarHBondContact O-CG1 3.19Å; A47-I51 PolarHBondContact O-N 3.3Å; A47-L72 HydrophobicContact CB-CD2 4.5Å
48C92.2Very high91.1Very high21 Ų2150.9 Ų50.914%0.14227%0.269CS..Hα-helixtrans-66.4-38.8175.3-173.10000112.2I43 G44 E46 I51 K52I43-C48 HydrophobicContact CD1-CB 4.03Å; I43-C48 HydrophobicContact CG1-CB 4.19Å; G44-C48 WeakPolarHBondContact O-CB 3.32Å; G44-C48 PolarHBondContact O-N 3.22Å; E46-C48 VanDerWaalsContact C-N 3.31Å; E46-C48 PolarHBondContact O-N 3.28Å; C48-I51 PolarHBondContact O-N 3.18Å; C48-K52 WeakPolarHBondContact O-CB 3.36Å; C48-K52 VanDerWaalsContact O-CG 3.3Å; C48-K52 WeakPolarHBondContact O-CG 3.49Å; C48-K52 PolarHBondContact O-N 3.33Å
49S90.7Very high90.9Very high59 Ų5955.3 Ų55.341%0.41329%0.287SS..Hα-helixtrans-68.4-39.6176-58.40000112.2K45 E46 K52 I53K45-S49 VanDerWaalsContact O-CB 3.31Å; K45-S49 WeakPolarHBondContact O-CB 3.38Å; K45-S49 PolarHBondContact O-N 3.21Å; K45-S49 PolarHBondContact O-OG 3.06Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 VanDerWaalsContact O-N 3.12Å; S49-K52 PolarHBondContact O-N 2.96Å; S49-I53 WeakPolarHBondContact O-CG1 3.43Å; S49-I53 PolarHBondContact O-N 2.73Å
50L92Very high90.7Very high10 Ų1056.3 Ų56.35%0.05229%0.294CS..Hα-helixtrans-57.1-56.6170173.659.5000110.4I6 E46 A47 K52 I53 L54 L72 H75 L94I6-L50 HydrophobicContact CG2-CD2 4.14Å; E46-L50 WeakPolarHBondContact O-CB 3.39Å; E46-L50 PolarHBondContact O-N 3.41Å; A47-L50 PolarHBondContact O-N 3.3Å; L50-K52 VanDerWaalsContact C-N 3.3Å; L50-K52 PolarHBondContact O-N 2.88Å; L50-I53 PolarHBondContact O-N 3.14Å; L50-L54 HydrophobicContact CD1-CD1 3.75Å; L50-L54 HydrophobicContact CD1-CD2 4.14Å; L50-L54 HydrophobicContact CD1-CG 3.82Å; L50-L54 HydrophobicContact CG-CD1 3.87Å; L50-L54 HydrophobicContact CG-CG 4.25Å; L50-L54 WeakPolarHBondContact O-CG 3.16Å; L50-L54 PolarHBondContact O-N 2.9Å; L50-L72 HydrophobicContact CD2-CD2 3.55Å; L50-L72 HydrophobicContact CG-CD2 4.04Å; L50-H75 HydrophobicContact CD2-CB 4.31Å; L50-H75 WeakPolarHBondContact CD2-CD2 3.39Å; L50-L94 HydrophobicContact CD1-CD1 3.63Å; L50-L94 HydrophobicContact CD1-CD2 3.98Å; L50-L94 HydrophobicContact CD1-CG 4.35Å
51I92.8Very high90.6Very high0 Ų059.1 Ų59.10%031%0.308CS..Hα-helixtrans-53.3-45.7176.7-74.6178.9000111.7F39 L40 I43 A47 C48 I53 L54 A55 P60 L68 L72F39-I51 HydrophobicContact CE1-CD1 3.85Å; L40-I51 HydrophobicContact CD2-CD1 4.16Å; L40-I51 HydrophobicContact CD2-CG2 4.09Å; I43-I51 HydrophobicContact CD1-CD1 3.55Å; A47-I51 WeakPolarHBondContact O-CG1 3.19Å; A47-I51 PolarHBondContact O-N 3.3Å; C48-I51 PolarHBondContact O-N 3.18Å; I51-I53 PolarHBondContact O-N 3.33Å; I51-I53 VanDerWaalsContact O-N 3.15Å; I51-L54 PolarHBondContact O-N 3.36Å; I51-L54 VanDerWaalsContact O-N 3.16Å; I51-A55 HydrophobicContact CG2-CB 4.5Å; I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.09Å; I51-P60 HydrophobicContact CG2-CB 3.68Å; I51-P60 HydrophobicContact CG2-CG 3.82Å; I51-L68 HydrophobicContact CD1-CB 4.3Å; I51-L68 HydrophobicContact CG2-CD2 3.75Å; I51-L72 HydrophobicContact CD1-CD1 3.86Å; I51-L72 HydrophobicContact CD1-CD2 4.32Å; I51-L72 HydrophobicContact CD1-CG 3.96Å; I51-L72 HydrophobicContact CG1-CD1 4.27Å; I51-L72 HydrophobicContact CG1-CD2 3.81Å; I51-L72 HydrophobicContact CG1-CG 3.85Å
52K91.5Very high90.7Very high117 Ų11757.9 Ų57.951%0.50930%0.304SS..Hα-helixtrans-54.4-33.7178.7-80.2172.4-177.8-179.90112.9C48 S49 L50 L56 P60C48-K52 WeakPolarHBondContact O-CB 3.36Å; C48-K52 VanDerWaalsContact O-CG 3.3Å; C48-K52 WeakPolarHBondContact O-CG 3.49Å; C48-K52 PolarHBondContact O-N 3.33Å; S49-K52 PolarHBondContact O-N 2.96Å; L50-K52 VanDerWaalsContact C-N 3.3Å; L50-K52 PolarHBondContact O-N 2.88Å; K52-L56 WeakPolarHBondContact O-CG 3.35Å; K52-P60 HydrophobicContact CB-CG 4.46Å; K52-P60 HydrophobicContact CG-CG 3.91Å
53I90.6Very high90.7Very high73 Ų7356.1 Ų56.137%0.37430%0.297SS..Hα-helixtrans-86.9-36.1179.7-59.8164.4000111.3S49 L50 I51 L94 R98S49-I53 WeakPolarHBondContact O-CG1 3.43Å; S49-I53 PolarHBondContact O-N 2.73Å; L50-I53 PolarHBondContact O-N 3.14Å; I51-I53 PolarHBondContact O-N 3.33Å; I51-I53 VanDerWaalsContact O-N 3.15Å; I53-L94 HydrophobicContact CB-CD2 3.7Å; I53-L94 HydrophobicContact CB-CG 4.45Å; I53-L94 HydrophobicContact CD1-CD2 3.6Å; I53-L94 HydrophobicContact CG1-CD2 4.24Å; I53-L94 HydrophobicContact CG2-CB 4.34Å; I53-L94 HydrophobicContact CG2-CD2 3.63Å; I53-L94 HydrophobicContact CG2-CG 3.94Å; I53-R98 WeakPolarHBondContact O-CD 3.4Å
54L91Very high90.8Very high9 Ų960 Ų605%0.04732%0.322CS..Hα-helixtrans-70.2-34.3177.4-62.1-172.4000113.5L50 I51 L56 L71 H75 L94 F97L50-L54 HydrophobicContact CD1-CD1 3.75Å; L50-L54 HydrophobicContact CD1-CD2 4.14Å; L50-L54 HydrophobicContact CD1-CG 3.82Å; L50-L54 HydrophobicContact CG-CD1 3.87Å; L50-L54 HydrophobicContact CG-CG 4.25Å; L50-L54 WeakPolarHBondContact O-CG 3.16Å; L50-L54 PolarHBondContact O-N 2.9Å; I51-L54 PolarHBondContact O-N 3.36Å; I51-L54 VanDerWaalsContact O-N 3.16Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L71 HydrophobicContact CB-CB 4.32Å; L54-L71 HydrophobicContact CB-CD1 3.98Å; L54-L71 HydrophobicContact CB-CD2 4.11Å; L54-L71 HydrophobicContact CB-CG 4.35Å; L54-L71 HydrophobicContact CD1-CB 4.01Å; L54-L71 WeakPolarHBondContact CD1-O 3.43Å; L54-H75 HydrophobicContact CD1-CB 4.26Å; L54-L94 HydrophobicContact CD2-CD1 4.15Å; L54-L94 HydrophobicContact CD2-CG 4.3Å; L54-F97 HydrophobicContact CD1-CD1 4.46Å; L54-F97 HydrophobicContact CD1-CE1 3.83Å; L54-F97 HydrophobicContact CD2-CD1 3.38Å; L54-F97 HydrophobicContact CD2-CE1 3.52Å; L54-F97 HydrophobicContact CG-CE1 4.31Å
55A90.3Very high90.9Very high3 Ų361 Ų613%0.02532%0.323CS..SBendtrans-73.5-21.1-178.200000113.7I51 D58 P60 L63 L71I51-A55 HydrophobicContact CG2-CB 4.5Å; I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.09Å; A55-D58 CarbonylContact C-O 3.52Å; A55-D58 WeakPolarHBondContact O-CB 3.47Å; A55-D58 PolarHBondContact O-N 3.4Å; A55-P60 HydrophobicContact CB-CG 4.04Å; A55-L63 HydrophobicContact CB-CD1 3.59Å; A55-L71 HydrophobicContact CB-CD1 4.36Å
56L88.1Confident91.1Very high75 Ų7558 Ų5839%0.39332%0.323SS..THydrogen-bonded Turntrans-53.4139-175.8-68.1176.1000111.8K52 L54 R98K52-L56 WeakPolarHBondContact O-CG 3.35Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L56-R98 PolarHBondContact O-NE 3.4Å; L56-R98 PolarHBondContact O-NH2 2.89Å
57P88Confident91.5Very high110 Ų11054.2 Ų54.271%0.71431%0.308SS*.THydrogen-bonded Turncis-80.6-88.535.1-37.4000114.8
58D88.3Confident91.6Very high80 Ų8054.2 Ų54.243%0.42831%0.308SS..SBendtrans-73.6152.8-174.8-52.4-47.9000111.4A55 L63A55-D58 CarbonylContact C-O 3.52Å; A55-D58 WeakPolarHBondContact O-CB 3.47Å; A55-D58 PolarHBondContact O-N 3.4Å; D58-L63 HydrophobicContact CB-CD1 4.41Å; D58-L63 HydrophobicContact CB-CD2 3.89Å; D58-L63 HydrophobicContact CB-CG 4.15Å
59K89.7Confident91.7Very high155 Ų15555.8 Ų55.867%0.67431%0.313SS*.  trans-77.5137.5171.4-65.4-178.3179.71790108.3I61 S62K59-I61 HydrophobicContact CB-CG2 4.13Å; K59-I61 PolarHBondContact O-N 3.21Å; K59-I61 VanDerWaalsContact O-N 3.12Å; K59-S62 PolarHBondContact O-N 3.08Å; K59-S62 PolarHBondContact O-OG 3.1Å
60P90.4Very high91.8Very high22 Ų2256.8 Ų56.814%0.14331%0.311CS..G310 helixtrans-52.7-37.5178.1-32.238000114.4L40 I51 K52 A55 S62 L63L40-P60 HydrophobicContact CD1-CB 3.81Å; L40-P60 HydrophobicContact CD2-CB 3.93Å; I51-P60 HydrophobicContact CG2-CB 3.68Å; I51-P60 HydrophobicContact CG2-CG 3.82Å; K52-P60 HydrophobicContact CB-CG 4.46Å; K52-P60 HydrophobicContact CG-CG 3.91Å; A55-P60 HydrophobicContact CB-CG 4.04Å; P60-S62 PolarHBondContact O-N 2.89Å; P60-L63 PolarHBondContact O-N 3.46Å
61I92Very high91.8Very high88 Ų8856.3 Ų56.345%0.45131%0.308SS..G310 helixtrans-67.8-18.8179.7-165.958.3000114V36 A37 L40 K59V36-I61 HydrophobicContact CB-CD1 4.42Å; V36-I61 HydrophobicContact CG1-CD1 4.03Å; A37-I61 HydrophobicContact CB-CD1 4.01Å; L40-I61 HydrophobicContact CD1-CB 4.39Å; L40-I61 HydrophobicContact CD1-CD1 4.34Å; K59-I61 HydrophobicContact CB-CG2 4.13Å; K59-I61 PolarHBondContact O-N 3.21Å; K59-I61 VanDerWaalsContact O-N 3.12Å
62S91.7Very high91.8Very high80 Ų8056.3 Ų56.356%0.55931%0.308SS*.G310 helixtrans-95.51.2176.759.70000113.6K59 P60K59-S62 PolarHBondContact O-N 3.08Å; K59-S62 PolarHBondContact O-OG 3.1Å; P60-S62 PolarHBondContact O-N 2.89Å
63L92.5Very high91.9Very high19 Ų1951.8 Ų51.810%0.09929%0.29CS..SBendtrans-97.3139.6176.6-66.4-179.9000110.8A55 D58 P60 T67 L68 L71A55-L63 HydrophobicContact CB-CD1 3.59Å; D58-L63 HydrophobicContact CB-CD1 4.41Å; D58-L63 HydrophobicContact CB-CD2 3.89Å; D58-L63 HydrophobicContact CB-CG 4.15Å; P60-L63 PolarHBondContact O-N 3.46Å; L63-T67 HydrophobicContact CB-CG2 4.35Å; L63-T67 HydrophobicContact CD1-CG2 4.25Å; L63-T67 HydrophobicContact CD2-CG2 4.36Å; L63-L68 HydrophobicContact CB-CD2 3.81Å; L63-L68 HydrophobicContact CB-CG 4.21Å; L63-L68 HydrophobicContact CD1-CD2 3.86Å; L63-L68 HydrophobicContact CG-CD2 4.46Å; L63-L71 HydrophobicContact CD1-CD1 4.32Å
64P94.2Very high91.8Very high82 Ų8250.2 Ų50.253%0.53228%0.282SS..  trans-58.3146.4174-23.733.2000112.2A66 T67 L68P64-A66 VanDerWaalsContact C-N 3.29Å; P64-A66 PolarHBondContact O-N 3.15Å; P64-T67 WeakPolarHBondContact O-CA 3.37Å; P64-T67 WeakPolarHBondContact O-CB 3.38Å; P64-T67 PolarHBondContact O-N 3.28Å; P64-L68 PolarHBondContact O-N 3.37Å
65Y94.1Very high91.7Very high29 Ų2951 Ų5111%0.11429%0.285CS..Hα-helixtrans-48.8-47.1178.9167.1-108.1000113.1F20 E21 I35 F39 T67 L68 K69F20-Y65 AromaticContact CD1-CE2 3.83Å; F20-Y65 HydrophobicContact CD1-CE2 3.83Å; F20-Y65 AromaticContact CD1-CZ 3.93Å; F20-Y65 HydrophobicContact CE1-CD2 4.12Å; F20-Y65 AromaticContact CE1-CE2 3.52Å; F20-Y65 HydrophobicContact CE1-CE2 3.52Å; F20-Y65 AromaticContact CE1-CZ 3.92Å; E21-Y65 HydrophobicContact CG-CE1 4.25Å; E21-Y65 WeakPolarHBondContact CG-OH 3.46Å; E21-Y65 WeakPolarHBondContact OE1-CE1 3.36Å; E21-Y65 PolarHBondContact OE1-OH 2.87Å; E21-Y65 VanDerWaalsContact OE1-OH 3.06Å; I35-Y65 HydrophobicContact CD1-CD1 3.97Å; I35-Y65 HydrophobicContact CD1-CD2 4.44Å; I35-Y65 HydrophobicContact CD1-CE1 4.42Å; I35-Y65 HydrophobicContact CD1-CG 3.99Å; I35-Y65 HydrophobicContact CG1-CD2 4.4Å; I35-Y65 HydrophobicContact CG1-CG 4.29Å; F39-Y65 HydrophobicContact CB-CD2 4.23Å; F39-Y65 HydrophobicContact CB-CE2 4.43Å; F39-Y65 HydrophobicContact CD1-CD2 4.18Å; F39-Y65 HydrophobicContact CD1-CE2 4.26Å; F39-Y65 HydrophobicContact CD2-CD2 4.18Å; F39-Y65 AromaticContact CD2-CE2 3.6Å; F39-Y65 HydrophobicContact CD2-CE2 3.6Å; F39-Y65 HydrophobicContact CE1-CE2 4.39Å; F39-Y65 AromaticContact CE2-CE2 3.74Å; F39-Y65 HydrophobicContact CE2-CE2 3.74Å; F39-Y65 AromaticContact CG-CD2 3.95Å; F39-Y65 HydrophobicContact CG-CD2 3.95Å; F39-Y65 AromaticContact CG-CE2 3.85Å; F39-Y65 HydrophobicContact CG-CE2 3.85Å; F39-Y65 HydrophobicContact CZ-CE2 4.13Å; Y65-T67 PolarHBondContact O-N 3Å; Y65-L68 WeakPolarHBondContact O-CB 3.37Å; Y65-L68 PolarHBondContact O-N 3.43Å; Y65-K69 HydrophobicContact CE1-CD 4.28Å; Y65-K69 PolarHBondContact O-N 3.13Å
66A94.2Very high91.6Very high69 Ų6950.9 Ų50.957%0.5728%0.284SS*.Hα-helixtrans-57.3-34176.700000113.3P64 Q70P64-A66 VanDerWaalsContact C-N 3.29Å; P64-A66 PolarHBondContact O-N 3.15Å; A66-Q70 WeakPolarHBondContact O-CB 3.44Å; A66-Q70 PolarHBondContact O-N 2.9Å
67T94.4Very high91.6Very high38 Ų3852 Ų5223%0.23329%0.286CS..Hα-helixtrans-68.7-38.9176-58.30000111.1L63 P64 Y65 L71 R105L63-T67 HydrophobicContact CB-CG2 4.35Å; L63-T67 HydrophobicContact CD1-CG2 4.25Å; L63-T67 HydrophobicContact CD2-CG2 4.36Å; P64-T67 WeakPolarHBondContact O-CA 3.37Å; P64-T67 WeakPolarHBondContact O-CB 3.38Å; P64-T67 PolarHBondContact O-N 3.28Å; Y65-T67 PolarHBondContact O-N 3Å; T67-L71 WeakPolarHBondContact O-CG 3.47Å; T67-L71 PolarHBondContact O-N 2.87Å; T67-L71 VanDerWaalsContact O-N 3.07Å; T67-R105 VanDerWaalsContact CG2-NH2 3.29Å
68L94.2Very high91.3Very high0 Ų049.4 Ų49.40%026%0.262CS..Hα-helixtrans-71.3-44.1177.3-61.2-174.9000112.3V36 F39 L40 I51 L63 P64 Y65 Q70 L71 L72V36-L68 HydrophobicContact CG1-CD1 3.69Å; F39-L68 HydrophobicContact CD1-CB 4.24Å; F39-L68 HydrophobicContact CD1-CD1 4.11Å; F39-L68 HydrophobicContact CE1-CB 3.88Å; L40-L68 HydrophobicContact CD2-CD1 4.16Å; L40-L68 HydrophobicContact CG-CD1 4.34Å; I51-L68 HydrophobicContact CD1-CB 4.3Å; I51-L68 HydrophobicContact CG2-CD2 3.75Å; L63-L68 HydrophobicContact CB-CD2 3.81Å; L63-L68 HydrophobicContact CB-CG 4.21Å; L63-L68 HydrophobicContact CD1-CD2 3.86Å; L63-L68 HydrophobicContact CG-CD2 4.46Å; P64-L68 PolarHBondContact O-N 3.37Å; Y65-L68 WeakPolarHBondContact O-CB 3.37Å; Y65-L68 PolarHBondContact O-N 3.43Å; L68-Q70 VanDerWaalsContact C-N 3.29Å; L68-Q70 PolarHBondContact O-N 3.14Å; L68-L71 HydrophobicContact CD2-CD1 4.4Å; L68-L71 PolarHBondContact O-N 3.34Å; L68-L72 PolarHBondContact O-N 2.86Å
69K94.1Very high90.9Very high54 Ų5448.7 Ų48.724%0.23526%0.261CS..Hα-helixtrans-54.8-46.5172.5-173.4178.7-172.91740110.4F13 M17 E21 Y65 L72 L73F13-K69 HydrophobicContact CZ-CG 4.48Å; M17-K69 HydrophobicContact CG-CG 4.37Å; M17-K69 HydrophobicContact SD-CD 4.46Å; M17-K69 HydrophobicContact SD-CG 4.07Å; E21-K69 IonicContact OE1-NZ 3.8Å; E21-K69 PolarHBondContact OE1-NZ 2.89Å; E21-K69 IonicContact OE2-NZ 2.83Å; E21-K69 PolarHBondContact OE2-NZ 3.41Å; Y65-K69 HydrophobicContact CE1-CD 4.28Å; Y65-K69 PolarHBondContact O-N 3.13Å; K69-L72 PolarHBondContact O-N 3.32Å; K69-L73 VanDerWaalsContact O-CB 3.29Å; K69-L73 WeakPolarHBondContact O-CB 3.46Å; K69-L73 PolarHBondContact O-N 3.39Å
70Q93.4Very high90.1Very high79 Ų7944.9 Ų44.937%0.36925%0.248SC..Hα-helixtrans-65.3-39.6178.4-166.564.742.500113.1A66 L68 L72 L73 D74A66-Q70 WeakPolarHBondContact O-CB 3.44Å; A66-Q70 PolarHBondContact O-N 2.9Å; L68-Q70 VanDerWaalsContact C-N 3.29Å; L68-Q70 PolarHBondContact O-N 3.14Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 3.12Å; Q70-L73 PolarHBondContact O-N 3.35Å; Q70-D74 PolarHBondContact NE2-OD1 3.46Å; Q70-D74 WeakPolarHBondContact O-CB 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 2.88Å
71L93.3Very high89Confident1 Ų147.5 Ų47.51%0.00527%0.266CS..Hα-helixtrans-58.8-44.6177-76.9177.8000112.3L54 A55 L63 T67 L68 H75 T101 R105L54-L71 HydrophobicContact CB-CB 4.32Å; L54-L71 HydrophobicContact CB-CD1 3.98Å; L54-L71 HydrophobicContact CB-CD2 4.11Å; L54-L71 HydrophobicContact CB-CG 4.35Å; L54-L71 HydrophobicContact CD1-CB 4.01Å; L54-L71 WeakPolarHBondContact CD1-O 3.43Å; A55-L71 HydrophobicContact CB-CD1 4.36Å; L63-L71 HydrophobicContact CD1-CD1 4.32Å; T67-L71 WeakPolarHBondContact O-CG 3.47Å; T67-L71 PolarHBondContact O-N 2.87Å; T67-L71 VanDerWaalsContact O-N 3.07Å; L68-L71 HydrophobicContact CD2-CD1 4.4Å; L68-L71 PolarHBondContact O-N 3.34Å; L71-H75 PolarHBondContact O-N 2.92Å; L71-T101 HydrophobicContact CD2-CG2 3.78Å; L71-R105 VanDerWaalsContact CG-NH2 3.34Å
72L92.8Very high87.1Confident0 Ų044.7 Ų44.70%026%0.26CS..Hα-helixtrans-68.5-43.8175.7-70.9178.3000111.8L4 F13 M17 F39 A47 L50 I51 L68 K69 Q70 D74 H75 I76L4-L72 HydrophobicContact CD2-CD1 3.79Å; F13-L72 HydrophobicContact CE2-CB 3.58Å; F13-L72 HydrophobicContact CE2-CD1 4.19Å; F13-L72 HydrophobicContact CZ-CB 3.94Å; M17-L72 HydrophobicContact CE-CD1 4.03Å; F39-L72 HydrophobicContact CE1-CD1 4.37Å; F39-L72 HydrophobicContact CZ-CD1 3.98Å; A47-L72 HydrophobicContact CB-CD2 4.5Å; L50-L72 HydrophobicContact CD2-CD2 3.55Å; L50-L72 HydrophobicContact CG-CD2 4.04Å; I51-L72 HydrophobicContact CD1-CD1 3.86Å; I51-L72 HydrophobicContact CD1-CD2 4.32Å; I51-L72 HydrophobicContact CD1-CG 3.96Å; I51-L72 HydrophobicContact CG1-CD1 4.27Å; I51-L72 HydrophobicContact CG1-CD2 3.81Å; I51-L72 HydrophobicContact CG1-CG 3.85Å; L68-L72 PolarHBondContact O-N 2.86Å; K69-L72 PolarHBondContact O-N 3.32Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 3.12Å; L72-D74 PolarHBondContact O-N 2.86Å; L72-H75 WeakPolarHBondContact O-CB 3.21Å; L72-H75 PolarHBondContact O-N 2.71Å; L72-H75 VanDerWaalsContact O-N 3.12Å; L72-I76 WeakPolarHBondContact O-CB 3.35Å; L72-I76 WeakPolarHBondContact O-CG1 3.34Å; L72-I76 PolarHBondContact O-N 3.47Å
73L91.7Very high85Confident22 Ų2244.8 Ų44.812%0.11526%0.259CS..Hα-helixtrans-59-44.9178.9-179.360.4000112.1F10 F13 K69 Q70 H75 I76 K77F10-L73 HydrophobicContact CD2-CD1 4.25Å; F10-L73 HydrophobicContact CE2-CD1 3.5Å; F10-L73 HydrophobicContact CZ-CD1 4.24Å; F13-L73 HydrophobicContact CD1-CD1 4Å; F13-L73 HydrophobicContact CE1-CB 3.9Å; F13-L73 HydrophobicContact CE1-CD1 3.71Å; F13-L73 HydrophobicContact CE1-CG 4.35Å; F13-L73 HydrophobicContact CZ-CB 4.05Å; K69-L73 VanDerWaalsContact O-CB 3.29Å; K69-L73 WeakPolarHBondContact O-CB 3.46Å; K69-L73 PolarHBondContact O-N 3.39Å; Q70-L73 PolarHBondContact O-N 3.35Å; L73-H75 VanDerWaalsContact C-N 3.29Å; L73-H75 PolarHBondContact O-N 3.44Å; L73-I76 PolarHBondContact O-N 2.83Å; L73-K77 HydrophobicContact CD1-CD 4.36Å; L73-K77 HydrophobicContact CD1-CG 4.44Å; L73-K77 HydrophobicContact CG-CD 4.23Å; L73-K77 WeakPolarHBondContact O-CB 3.35Å; L73-K77 VanDerWaalsContact O-CG 3.26Å; L73-K77 WeakPolarHBondContact O-CG 3.41Å; L73-K77 PolarHBondContact O-N 3.24Å
74D89.7Confident82.9Confident39 Ų3946.2 Ų46.221%0.20928%0.279CS..Hα-helixtrans-62.3-38.9176.2-70.2-17.9000110.9Q70 L72 Y78 F97Q70-D74 PolarHBondContact NE2-OD1 3.46Å; Q70-D74 WeakPolarHBondContact O-CB 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 2.88Å; L72-D74 PolarHBondContact O-N 2.86Å; D74-Y78 VanDerWaalsContact O-CB 3.32Å; D74-Y78 WeakPolarHBondContact O-CB 3.24Å; D74-Y78 PolarHBondContact O-N 3.15Å; D74-F97 VanDerWaalsContact C-CZ 3.41Å; D74-F97 HydrophobicContact CB-CE2 4.3Å; D74-F97 HydrophobicContact CB-CZ 3.72Å; D74-F97 WeakPolarHBondContact O-CE2 3.31Å
75H89Confident80.5Confident27 Ų2750.6 Ų50.613%0.12529%0.289CS..Hα-helixtrans-67.6-45.9179.1-172.174.9000111.7L50 L54 L71 L72 L73 Y78 T79 F97L50-H75 HydrophobicContact CD2-CB 4.31Å; L50-H75 WeakPolarHBondContact CD2-CD2 3.39Å; L54-H75 HydrophobicContact CD1-CB 4.26Å; L71-H75 PolarHBondContact O-N 2.92Å; L72-H75 WeakPolarHBondContact O-CB 3.21Å; L72-H75 PolarHBondContact O-N 2.71Å; L72-H75 VanDerWaalsContact O-N 3.12Å; L73-H75 VanDerWaalsContact C-N 3.29Å; L73-H75 PolarHBondContact O-N 3.44Å; H75-Y78 WeakPolarHBondContact O-CB 3.28Å; H75-Y78 PolarHBondContact O-N 3.2Å; H75-Y78 VanDerWaalsContact O-N 3.14Å; H75-T79 WeakPolarHBondContact O-CG2 3.19Å; H75-T79 PolarHBondContact O-N 2.86Å; H75-T79 PolarHBondContact O-OG1 3.31Å; H75-F97 HydrophobicContact CB-CD1 4.47Å; H75-F97 HydrophobicContact CB-CE1 3.78Å; H75-F97 HydrophobicContact CB-CE2 4.32Å; H75-F97 HydrophobicContact CB-CZ 3.71Å; H75-F97 AromaticContact ND1-CD1 3.6Å; H75-F97 AromaticContact ND1-CE1 3.79Å; H75-F97 AromaticContact ND1-CG 3.82Å
76I88.3Confident77.8Confident0 Ų060.2 Ų60.20%033%0.325CS..Hα-helixtrans-70-34.1-179.6-69.9164.6000111F13 L72 L73 T79 N80F13-I76 HydrophobicContact CB-CD1 4Å; F13-I76 HydrophobicContact CB-CG2 4.34Å; F13-I76 HydrophobicContact CD2-CD1 3.15Å; F13-I76 HydrophobicContact CE2-CD1 3.69Å; F13-I76 HydrophobicContact CG-CD1 3.7Å; L72-I76 WeakPolarHBondContact O-CB 3.35Å; L72-I76 WeakPolarHBondContact O-CG1 3.34Å; L72-I76 PolarHBondContact O-N 3.47Å; L73-I76 PolarHBondContact O-N 2.83Å; I76-T79 WeakPolarHBondContact CA-OG1 3.46Å; I76-T79 PolarHBondContact O-OG1 2.97Å; I76-N80 WeakPolarHBondContact CG2-ND2 3.43Å; I76-N80 VanDerWaalsContact O-CB 3.23Å; I76-N80 WeakPolarHBondContact O-CB 3.45Å; I76-N80 PolarHBondContact O-N 2.82Å; I76-N80 PolarHBondContact O-ND2 2.81Å
77K87.4Confident74.9Confident97 Ų9764.8 Ų64.842%0.42234%0.335SS..Hα-helixtrans-62.2-45.5167.7-76.5174.2-178.9177.90111.1F10 L73 N80 S81F10-K77 HydrophobicContact CD2-CG 4.2Å; F10-K77 HydrophobicContact CE2-CD 4.48Å; F10-K77 HydrophobicContact CE2-CG 4.04Å; L73-K77 HydrophobicContact CD1-CD 4.36Å; L73-K77 HydrophobicContact CD1-CG 4.44Å; L73-K77 HydrophobicContact CG-CD 4.23Å; L73-K77 WeakPolarHBondContact O-CB 3.35Å; L73-K77 VanDerWaalsContact O-CG 3.26Å; L73-K77 WeakPolarHBondContact O-CG 3.41Å; L73-K77 PolarHBondContact O-N 3.24Å; K77-N80 PolarHBondContact O-N 3.12Å; K77-S81 WeakPolarHBondContact O-CB 3.45Å; K77-S81 PolarHBondContact O-N 3.4Å
78Y82.8Confident72Confident57 Ų5773.9 Ų73.922%0.22437%0.371CS..Hα-helixtrans-62.4-48.8-179.9-178.9-106.3000112.6D74 H75 S81 M92 F97D74-Y78 VanDerWaalsContact O-CB 3.32Å; D74-Y78 WeakPolarHBondContact O-CB 3.24Å; D74-Y78 PolarHBondContact O-N 3.15Å; H75-Y78 WeakPolarHBondContact O-CB 3.28Å; H75-Y78 PolarHBondContact O-N 3.2Å; H75-Y78 VanDerWaalsContact O-N 3.14Å; Y78-S81 PolarHBondContact O-N 3.47Å; Y78-S81 PolarHBondContact O-OG 3.16Å; Y78-M92 HydrophobicContact CE1-SD 3.62Å; Y78-M92 VanDerWaalsContact OH-CE 3.27Å; Y78-M92 WeakPolarHBondContact OH-CE 3.46Å; Y78-M92 PolarHBondContact OH-SD 3.45Å; Y78-F97 HydrophobicContact CD1-CB 4.45Å; Y78-F97 AromaticContact CD1-CD2 3.58Å; Y78-F97 HydrophobicContact CD1-CD2 3.58Å; Y78-F97 HydrophobicContact CD1-CE2 4.36Å; Y78-F97 HydrophobicContact CD1-CG 4.32Å; Y78-F97 HydrophobicContact CD2-CD2 4.17Å; Y78-F97 HydrophobicContact CE1-CB 4.27Å; Y78-F97 HydrophobicContact CE1-CD2 4.12Å; Y78-F97 AromaticContact CG-CD2 3.58Å; Y78-F97 HydrophobicContact CG-CD2 3.58Å; Y78-F97 HydrophobicContact CG-CE2 4.01Å
79T78.2Confident68.9Low64 Ų6476.9 Ų76.939%0.39339%0.392SS..Hα-helixtrans-63.7-41.8177.455.60000112.2H75 I76H75-T79 WeakPolarHBondContact O-CG2 3.19Å; H75-T79 PolarHBondContact O-N 2.86Å; H75-T79 PolarHBondContact O-OG1 3.31Å; I76-T79 WeakPolarHBondContact CA-OG1 3.46Å; I76-T79 PolarHBondContact O-OG1 2.97Å
80N73.1Confident66.1Low76 Ų7680 Ų8041%0.40641%0.411SS..Hα-helixtrans-74.4-25.1178.8-76.7-66.2000114.2I76 K77 G82I76-N80 WeakPolarHBondContact CG2-ND2 3.43Å; I76-N80 VanDerWaalsContact O-CB 3.23Å; I76-N80 WeakPolarHBondContact O-CB 3.45Å; I76-N80 PolarHBondContact O-N 2.82Å; I76-N80 PolarHBondContact O-ND2 2.81Å; K77-N80 PolarHBondContact O-N 3.12Å; N80-G82 PolarHBondContact O-N 3.01Å
81S67.1Low63.6Low76 Ų7684.7 Ų84.753%0.53143%0.43SS..THydrogen-bonded Turntrans-63.71.7-175.169.50000116.2K77 Y78 C83K77-S81 WeakPolarHBondContact O-CB 3.45Å; K77-S81 PolarHBondContact O-N 3.4Å; Y78-S81 PolarHBondContact O-N 3.47Å; Y78-S81 PolarHBondContact O-OG 3.16Å; S81-C83 PolarHBondContact O-N 2.97Å
82G53.1Low61.2Low30 Ų3089.6 Ų89.631%0.30946%0.455SS..SBendtrans73.1-8.1179.600000114.6N80 G84 K85N80-G82 PolarHBondContact O-N 3.01Å; G82-G84 PolarHBondContact O-N 3.15Å; G82-K85 WeakPolarHBondContact O-CB 3.39Å; G82-K85 PolarHBondContact O-N 2.95Å
83C48.2Very low59.2Low82 Ų8293 Ų9355%0.55448%0.475SS*.G310 helixtrans-60.8-26.8174.6-160.80000112.2S81S81-C83 PolarHBondContact O-N 2.97Å
84G46.8Very low57.6Low49 Ų4994.1 Ų94.151%0.50548%0.481SS..G310 helixtrans-85.210171.300000116.2G82G82-G84 PolarHBondContact O-N 3.15Å
85K43.8Very low55.9Low174 Ų17497.7 Ų97.776%0.75750%0.497SS*.G310 helixtrans-99.88.7-179.5-66.8-175.1178.61760114.5G82G82-K85 WeakPolarHBondContact O-CB 3.39Å; G82-K85 PolarHBondContact O-N 2.95Å
86R38.1Very low54.3Low230 Ų230100.2 Ų100.287%0.86851%0.511SS*.SBendtrans-92.2101170.3-71.2-173-178.5-1801.6110.1
87E34.4Very low53.1Low165 Ų165100.7 Ų100.777%0.77151%0.513SS*.  trans65.1147170.7-59.2-173125.400117.6S89E87-S89 WeakPolarHBondContact CB-OG 3.45Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-S89 VanDerWaalsContact O-N 3.15Å
88K32.9Very low52Low229 Ų22998.7 Ų98.7100%0.99650%0.503SS*.SBendtrans-86.348.7174.6-76.5-178.4170.7178.50110.3
89S29.2Very low50.9Low63 Ų6399.7 Ų99.744%0.44151%0.512SS..  trans-131.3145.3-178.843.30000109.3E87E87-S89 WeakPolarHBondContact CB-OG 3.45Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-S89 VanDerWaalsContact O-N 3.15Å
90D35Very low49.9Very low119 Ų11999.4 Ų99.464%0.63651%0.513SS*.SBendtrans68.5128.6175.5-48.9-36.4000117.2M92D90-M92 VanDerWaalsContact C-N 3.34Å; D90-M92 PolarHBondContact O-N 3.48Å
91K40.7Very low49.1Very low178 Ų17896.1 Ų96.177%0.77450%0.496SS*.  trans-64.993.5172.4-69.1167.3-179.7165.90108.3T93K91-T93 PolarHBondContact O-N 3.23Å; K91-T93 PolarHBondContact O-OG1 2.73Å
92M42.1Very low48.6Very low105 Ų10595.8 Ų95.852%0.51749%0.488SS..  trans-62.188.4168.1-174.3175.8-102.300108.5Y78 D90 L94Y78-M92 HydrophobicContact CE1-SD 3.62Å; Y78-M92 VanDerWaalsContact OH-CE 3.27Å; Y78-M92 WeakPolarHBondContact OH-CE 3.46Å; Y78-M92 PolarHBondContact OH-SD 3.45Å; D90-M92 VanDerWaalsContact C-N 3.34Å; D90-M92 PolarHBondContact O-N 3.48Å; M92-L94 PolarHBondContact O-N 2.9Å
93T51.5Low48.3Very low70 Ų7099.8 Ų99.843%0.42950%0.501SS..  trans-62138.2-166.5-28.90000109.8K91 Q95 N96K91-T93 PolarHBondContact O-N 3.23Å; K91-T93 PolarHBondContact O-OG1 2.73Å; T93-Q95 HydrophobicContact CG2-CB 4.03Å; T93-Q95 PolarHBondContact O-N 3.26Å; T93-N96 WeakPolarHBondContact O-CB 3.42Å; T93-N96 PolarHBondContact O-N 2.77Å
94L57.3Low48Very low46 Ų4699 Ų9924%0.24150%0.496CS..Hα-helixtrans-56.7-21.7176.2-163.856.8000112.5L50 I53 L54 M92 F97 R98L50-L94 HydrophobicContact CD1-CD1 3.63Å; L50-L94 HydrophobicContact CD1-CD2 3.98Å; L50-L94 HydrophobicContact CD1-CG 4.35Å; I53-L94 HydrophobicContact CB-CD2 3.7Å; I53-L94 HydrophobicContact CB-CG 4.45Å; I53-L94 HydrophobicContact CD1-CD2 3.6Å; I53-L94 HydrophobicContact CG1-CD2 4.24Å; I53-L94 HydrophobicContact CG2-CB 4.34Å; I53-L94 HydrophobicContact CG2-CD2 3.63Å; I53-L94 HydrophobicContact CG2-CG 3.94Å; L54-L94 HydrophobicContact CD2-CD1 4.15Å; L54-L94 HydrophobicContact CD2-CG 4.3Å; M92-L94 PolarHBondContact O-N 2.9Å; L94-F97 PolarHBondContact O-N 3.38Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 PolarHBondContact O-N 3.29Å
95Q55.8Low48.3Very low114 Ų114100.9 Ų100.953%0.53349%0.488SS..Hα-helixtrans-64-34.5169.8-164.6167.510.300114.4T93 R98 N99T93-Q95 HydrophobicContact CG2-CB 4.03Å; T93-Q95 PolarHBondContact O-N 3.26Å; Q95-R98 PolarHBondContact O-N 3.24Å; Q95-N99 WeakPolarHBondContact O-CB 3.33Å; Q95-N99 PolarHBondContact O-N 2.99Å; Q95-N99 PolarHBondContact O-ND2 3.05Å; Q95-N99 PolarHBondContact O-OD1 2.8Å
96N55Low48.1Very low80 Ų80102.2 Ų102.243%0.42849%0.488SS..Hα-helixtrans-68.4-43.8174.6-71-10000110.7T93 N99 S100T93-N96 WeakPolarHBondContact O-CB 3.42Å; T93-N96 PolarHBondContact O-N 2.77Å; N96-N99 WeakPolarHBondContact O-CB 3.33Å; N96-N99 PolarHBondContact O-N 3.09Å; N96-S100 PolarHBondContact O-N 2.86Å; N96-S100 PolarHBondContact O-OG 3.46Å
97F63.4Low48.1Very low10 Ų1094.7 Ų94.74%0.04447%0.471CS..Hα-helixtrans-62.3-46.5172.7174.8-94.7000111.2L54 D74 H75 Y78 L94 N99 S100 T101L54-F97 HydrophobicContact CD1-CD1 4.46Å; L54-F97 HydrophobicContact CD1-CE1 3.83Å; L54-F97 HydrophobicContact CD2-CD1 3.38Å; L54-F97 HydrophobicContact CD2-CE1 3.52Å; L54-F97 HydrophobicContact CG-CE1 4.31Å; D74-F97 VanDerWaalsContact C-CZ 3.41Å; D74-F97 HydrophobicContact CB-CE2 4.3Å; D74-F97 HydrophobicContact CB-CZ 3.72Å; D74-F97 WeakPolarHBondContact O-CE2 3.31Å; H75-F97 HydrophobicContact CB-CD1 4.47Å; H75-F97 HydrophobicContact CB-CE1 3.78Å; H75-F97 HydrophobicContact CB-CE2 4.32Å; H75-F97 HydrophobicContact CB-CZ 3.71Å; H75-F97 AromaticContact ND1-CD1 3.6Å; H75-F97 AromaticContact ND1-CE1 3.79Å; H75-F97 AromaticContact ND1-CG 3.82Å; Y78-F97 HydrophobicContact CD1-CB 4.45Å; Y78-F97 AromaticContact CD1-CD2 3.58Å; Y78-F97 HydrophobicContact CD1-CD2 3.58Å; Y78-F97 HydrophobicContact CD1-CE2 4.36Å; Y78-F97 HydrophobicContact CD1-CG 4.32Å; Y78-F97 HydrophobicContact CD2-CD2 4.17Å; Y78-F97 HydrophobicContact CE1-CB 4.27Å; Y78-F97 HydrophobicContact CE1-CD2 4.12Å; Y78-F97 AromaticContact CG-CD2 3.58Å; Y78-F97 HydrophobicContact CG-CD2 3.58Å; Y78-F97 HydrophobicContact CG-CE2 4.01Å; L94-F97 PolarHBondContact O-N 3.38Å; F97-N99 VanDerWaalsContact C-N 3.28Å; F97-N99 PolarHBondContact O-N 3.08Å; F97-S100 CarbonylContact O-C 3.6Å; F97-S100 WeakPolarHBondContact O-CA 3.47Å; F97-S100 WeakPolarHBondContact O-CB 3.3Å; F97-S100 PolarHBondContact O-N 2.87Å; F97-T101 VanDerWaalsContact CE1-OG1 3.26Å; F97-T101 WeakPolarHBondContact CE1-OG1 3.49Å; F97-T101 VanDerWaalsContact CZ-OG1 3.26Å; F97-T101 WeakPolarHBondContact CZ-OG1 3.42Å; F97-T101 PolarHBondContact O-N 3.03Å; F97-T101 PolarHBondContact O-OG1 3.03Å
98R63.8Low48.4Very low56 Ų5691.3 Ų91.321%0.21147%0.465CS..Hα-helixtrans-55.2-41.4173-179179.7171.6-146.8-9.4112.4I53 L56 L94 Q95 T101 L102I53-R98 WeakPolarHBondContact O-CD 3.4Å; L56-R98 PolarHBondContact O-NE 3.4Å; L56-R98 PolarHBondContact O-NH2 2.89Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 PolarHBondContact O-N 3.29Å; Q95-R98 PolarHBondContact O-N 3.24Å; R98-T101 PolarHBondContact O-N 2.96Å; R98-L102 HydrophobicContact CG-CD1 4.03Å; R98-L102 HydrophobicContact CG-CG 4.47Å; R98-L102 WeakPolarHBondContact O-CB 3.31Å; R98-L102 VanDerWaalsContact O-CG 3.23Å; R98-L102 WeakPolarHBondContact O-CG 3.26Å; R98-L102 PolarHBondContact O-N 2.92Å
99N58.5Low48.6Very low77 Ų7788.6 Ų88.641%0.41246%0.458SS..Hα-helixtrans-62.5-43.9174.7-69.9-19.7000111.3Q95 N96 F97 L102 I103Q95-N99 WeakPolarHBondContact O-CB 3.33Å; Q95-N99 PolarHBondContact O-N 2.99Å; Q95-N99 PolarHBondContact O-ND2 3.05Å; Q95-N99 PolarHBondContact O-OD1 2.8Å; N96-N99 WeakPolarHBondContact O-CB 3.33Å; N96-N99 PolarHBondContact O-N 3.09Å; F97-N99 VanDerWaalsContact C-N 3.28Å; F97-N99 PolarHBondContact O-N 3.08Å; N99-L102 PolarHBondContact O-N 2.99Å; N99-I103 WeakPolarHBondContact O-CB 3.47Å; N99-I103 WeakPolarHBondContact O-CD1 3.26Å; N99-I103 VanDerWaalsContact O-CG1 3.23Å; N99-I103 WeakPolarHBondContact O-CG1 3.41Å; N99-I103 PolarHBondContact O-N 2.91Å
100S57.8Low48.6Very low58 Ų5895.7 Ų95.741%0.40648%0.476SS..Hα-helixtrans-60.8-43.8174.1-62.60000112.6N96 F97 I103 S104N96-S100 PolarHBondContact O-N 2.86Å; N96-S100 PolarHBondContact O-OG 3.46Å; F97-S100 CarbonylContact O-C 3.6Å; F97-S100 WeakPolarHBondContact O-CA 3.47Å; F97-S100 WeakPolarHBondContact O-CB 3.3Å; F97-S100 PolarHBondContact O-N 2.87Å; S100-I103 PolarHBondContact O-N 2.98Å; S100-S104 WeakPolarHBondContact O-CB 3.22Å; S100-S104 PolarHBondContact O-N 3.35Å
101T56.7Low48.3Very low8 Ų896.7 Ų96.75%0.04948%0.481CS..Hα-helixtrans-64.9-39.8176.1-44.20000111.8L71 F97 R98 S104 R105L71-T101 HydrophobicContact CD2-CG2 3.78Å; F97-T101 VanDerWaalsContact CE1-OG1 3.26Å; F97-T101 WeakPolarHBondContact CE1-OG1 3.49Å; F97-T101 VanDerWaalsContact CZ-OG1 3.26Å; F97-T101 WeakPolarHBondContact CZ-OG1 3.42Å; F97-T101 PolarHBondContact O-N 3.03Å; F97-T101 PolarHBondContact O-OG1 3.03Å; R98-T101 PolarHBondContact O-N 2.96Å; T101-S104 PolarHBondContact O-N 3.34Å; T101-R105 WeakPolarHBondContact O-CB 3.36Å; T101-R105 WeakPolarHBondContact O-CG 3.4Å; T101-R105 PolarHBondContact O-N 3.48Å
102L56.9Low47.9Very low69 Ų6997 Ų9736%0.36149%0.485SS..Hα-helixtrans-66.5-36.5174.7-73.3169.9000112.5R98 N99 R106R98-L102 HydrophobicContact CG-CD1 4.03Å; R98-L102 HydrophobicContact CG-CG 4.47Å; R98-L102 WeakPolarHBondContact O-CB 3.31Å; R98-L102 VanDerWaalsContact O-CG 3.23Å; R98-L102 WeakPolarHBondContact O-CG 3.26Å; R98-L102 PolarHBondContact O-N 2.92Å; N99-L102 PolarHBondContact O-N 2.99Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 WeakPolarHBondContact O-CG 3.35Å; L102-R106 PolarHBondContact O-N 3.03Å; L102-R106 VanDerWaalsContact O-N 3.14Å
103I47Very low47.4Very low114 Ų11497.3 Ų97.359%0.58550%0.497SS*.Hα-helixtrans-66.2-47.2173.2-70.7162.9000110N99 S100 R105 R106 S107N99-I103 WeakPolarHBondContact O-CB 3.47Å; N99-I103 WeakPolarHBondContact O-CD1 3.26Å; N99-I103 VanDerWaalsContact O-CG1 3.23Å; N99-I103 WeakPolarHBondContact O-CG1 3.41Å; N99-I103 PolarHBondContact O-N 2.91Å; S100-I103 PolarHBondContact O-N 2.98Å; I103-R105 PolarHBondContact O-N 3.36Å; I103-R106 PolarHBondContact O-N 3.46Å; I103-R106 VanDerWaalsContact O-N 3.09Å; I103-S107 PolarHBondContact O-N 3.48Å; I103-S107 PolarHBondContact O-OG 2.9Å
104S42.4Very low46.5Very low65 Ų65103.7 Ų103.746%0.45552%0.515SS..Hα-helixtrans-61.6-42.1179.1-168.10000112.7S100 T101 R106 S107 S108S100-S104 WeakPolarHBondContact O-CB 3.22Å; S100-S104 PolarHBondContact O-N 3.35Å; T101-S104 PolarHBondContact O-N 3.34Å; S104-R106 VanDerWaalsContact C-N 3.3Å; S104-R106 PolarHBondContact O-N 2.89Å; S104-S107 WeakPolarHBondContact CA-OG 3.37Å; S104-S107 PolarHBondContact O-N 3.2Å; S104-S107 PolarHBondContact O-OG 2.87Å; S104-S107 VanDerWaalsContact O-OG 3.09Å; S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 3.48Å
105R51.3Low45.2Very low89 Ų89105.4 Ų105.434%0.33653%0.531SS..Hα-helixtrans-63.1-33.7172.7-75.2178.6176.9-173-3.9113.1T67 L71 T101 I103T67-R105 VanDerWaalsContact CG2-NH2 3.29Å; L71-R105 VanDerWaalsContact CG-NH2 3.34Å; T101-R105 WeakPolarHBondContact O-CB 3.36Å; T101-R105 WeakPolarHBondContact O-CG 3.4Å; T101-R105 PolarHBondContact O-N 3.48Å; I103-R105 PolarHBondContact O-N 3.36Å
106R39.8Very low44.2Very low201 Ų201107 Ų10776%0.75854%0.543SS*.Hα-helixtrans-76.6-34.4176.5-77.6176.5173.4-177.6-1.3113.1L102 I103 S104L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 WeakPolarHBondContact O-CG 3.35Å; L102-R106 PolarHBondContact O-N 3.03Å; L102-R106 VanDerWaalsContact O-N 3.14Å; I103-R106 PolarHBondContact O-N 3.46Å; I103-R106 VanDerWaalsContact O-N 3.09Å; S104-R106 VanDerWaalsContact C-N 3.3Å; S104-R106 PolarHBondContact O-N 2.89Å
107S38.2Very low43Very low72 Ų72110.2 Ų110.250%0.50356%0.56SS.*Hα-helixtrans-76.2-36.9177.553.50000112.5I103 S104 M109 R110I103-S107 PolarHBondContact O-N 3.48Å; I103-S107 PolarHBondContact O-OG 2.9Å; S104-S107 WeakPolarHBondContact CA-OG 3.37Å; S104-S107 PolarHBondContact O-N 3.2Å; S104-S107 PolarHBondContact O-OG 2.87Å; S104-S107 VanDerWaalsContact O-OG 3.09Å; S107-M109 PolarHBondContact O-N 3.36Å; S107-M109 VanDerWaalsContact O-N 3.08Å; S107-R110 PolarHBondContact O-N 3Å; S107-R110 VanDerWaalsContact O-N 3.08Å
108S42.1Very low41.6Very low94 Ų94116 Ų11666%0.65760%0.596SS**THydrogen-bonded Turntrans-64.1-13178.6-167.20000115S104S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 3.48Å
109M35.5Very low39.9Very low172 Ų172119 Ų11985%0.84763%0.626SS**THydrogen-bonded Turntrans-99.6-0.9176.2-63.9-121.782.400113.8S107S107-M109 PolarHBondContact O-N 3.36Å; S107-M109 VanDerWaalsContact O-N 3.08Å
110R30.8Very low38.6Very low213 Ų213123 Ų12380%0.80465%0.646SS**  trans-110.558.5-176.2-162.4-177-76.5-146.4-4.4113S107S107-R110 PolarHBondContact O-N 3Å; S107-R110 VanDerWaalsContact O-N 3.08Å
111N27.5Very low37.3Very low140 Ų140125.1 Ų125.175%0.74966%0.661SS**  trans-99.977.7167.6-81.3-16.9000111.3
112Q33.5Very low35.9Very low185 Ų185130.3 Ų130.386%0.86470%0.697SS**SBendtrans-172122.7154-107.9149.988.600112.3
113S30.8Very low34.7Very low110 Ų110136.2 Ų136.277%0.76972%0.723SS**  trans31.2100.6149.5177.50000119.3
114Y32.6Very low33.8Very low205 Ų205136.8 Ų136.880%0.80473%0.731SS**  -177150.694.1-155.9-107.4000109
115S29.4Very low33.6Very low82 Ų82139.3 Ų139.357%0.57374%0.744SS**  trans-80.1132.817855.80000111.3
116D35.1Very low32.7Very low148 Ų148143 Ų14379%0.79177%0.765SS**  trans-142.7139.1151.2-101.8-40.4000111.4T118D116-T118 PolarHBondContact O-N 2.83Å
117N29.4Very low32.5Very low146 Ų146140.4 Ų140.478%0.78177%0.766SS**  trans-90.6108-163-54.4-66.9000110.2
118T34.5Very low32.4Very low131 Ų131144.1 Ų144.180%0.80478%0.78SS**  trans-136.273.8166.1-51.40000110.1D116 L120D116-T118 PolarHBondContact O-N 2.83Å; T118-L120 PolarHBondContact O-N 3.14Å
119S28.1Very low31.8Very low120 Ų120147.2 Ų147.284%0.83978%0.784SS**  trans-69.6104.415854.70000108.4
120L31.9Very low32.2Very low160 Ų160145 Ų14584%0.83877%0.772SS**  trans-109.5114.6160.4-158.872.6000108.7T118T118-L120 PolarHBondContact O-N 3.14Å
121S30.9Very low32.8Very low103 Ų103143 Ų14372%0.7277%0.771SS**  trans-66.8151.2-177.7460000112.4
122C27Very low33.7Very low118 Ų118145.6 Ų145.680%0.79778%0.776SS**  trans-48.2143.116749.10000114
123E30.3Very low35.1Very low192 Ų192138.9 Ų138.990%0.89775%0.75SS**  trans-148.2145.4142.4-118.6165.1-14900110.5
124T29.3Very low37.6Very low126 Ų126139.8 Ų139.877%0.77374%0.74SS**  trans-78.7128.4-164.844.90000112.9
125V38Very low40.2Very low118 Ų118130 Ų13072%0.71570%0.702SS**  trans-113118.7161.3-173.40000107.7
126H31.3Very low43Very low167 Ų167131.8 Ų131.877%0.77370%0.704SS**  trans-77.7124.1166.8-65.3-93.6000107.5
127D36.6Very low45.6Very low147 Ų147126.5 Ų126.579%0.78667%0.674SS**  trans-128.8119.5172.4-84-44.7000109.7
128D35.7Very low48.6Very low149 Ų149119.9 Ų119.980%0.79764%0.639SS**  trans-74.8165.6-173.2-65.6-58.1000113.8H130D128-H130 PolarHBondContact O-N 3.24Å
129E29.8Very low51Low159 Ų159114.8 Ų114.874%0.74361%0.613SS**  trans-44.3122.8179.8-57.3178.1138.200114.3
130H43.5Very low53.8Low127 Ų127115.5 Ų115.559%0.58860%0.601SS**  trans-118.675.9172-83.8-4.2000112.8D128 F132 S133D128-H130 PolarHBondContact O-N 3.24Å; H130-F132 PolarHBondContact O-N 2.71Å; H130-S133 WeakPolarHBondContact CD2-CB 3.23Å; H130-S133 PolarHBondContact CD2-OG 2.98Å; H130-S133 VanDerWaalsContact CG-CB 3.43Å
131E43.5Very low56.5Low170 Ų170115 Ų11579%0.79459%0.592SS**SBendtrans-30.5113.2135.6176.6-178.8-112.500110.4S133E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 VanDerWaalsContact O-CA 3.24Å; E131-S133 WeakPolarHBondContact O-CA 3.44Å; E131-S133 PolarHBondContact O-N 2.87Å
132F45.6Very low59.1Low194 Ų194113 Ų11385%0.85157%0.571SS**SBendtrans-10.480.5-168.7-80.4-76.4000114.1H130 K134 F141H130-F132 PolarHBondContact O-N 2.71Å; F132-K134 PolarHBondContact O-N 2.7Å; F132-F141 HydrophobicContact CB-CD1 4.4Å; F132-F141 VanDerWaalsContact O-CD1 3.23Å; F132-F141 WeakPolarHBondContact O-CD1 3.3Å; F132-F141 WeakPolarHBondContact O-CE1 3.42Å
133S63.3Low61.8Low44 Ų44111.8 Ų111.831%0.30856%0.562SS.*PPolyproline II helixtrans-71138.5-162.458.60000110.8H130 E131 C135H130-S133 WeakPolarHBondContact CD2-CB 3.23Å; H130-S133 PolarHBondContact CD2-OG 2.98Å; H130-S133 VanDerWaalsContact CG-CB 3.43Å; E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 VanDerWaalsContact O-CA 3.24Å; E131-S133 WeakPolarHBondContact O-CA 3.44Å; E131-S133 PolarHBondContact O-N 2.87Å; S133-C135 PolarHBondContact O-N 3.12Å
134K84Confident64.4Low130 Ų130104.5 Ų104.557%0.56553%0.532SS*.PPolyproline II helixtrans-56.7125.9171.3-70.9178.6179.9175.90107.8F132 L136 G139 F141F132-K134 PolarHBondContact O-N 2.7Å; K134-L136 PolarHBondContact O-N 2.93Å; K134-L136 VanDerWaalsContact O-N 3.14Å; K134-G139 WeakPolarHBondContact CB-O 3.05Å; K134-G139 WeakPolarHBondContact CG-O 3.48Å; K134-F141 HydrophobicContact CG-CD1 4.36Å; K134-F141 HydrophobicContact CG-CE1 3.84Å; K134-F141 HydrophobicContact CG-CZ 3.94Å
135C88.1Confident67Low0 Ų0105 Ų1050%053%0.53CS..PPolyproline II helixtrans-52.9121.4-175.9174.20000110.6S133 F137 C138 G139 K140 H142S133-C135 PolarHBondContact O-N 3.12Å; C135-F137 PolarHBondContact O-N 2.9Å; C135-C138 PolarHBondContact O-N 3.45Å; C135-G139 PolarHBondContact O-N 3.3Å; C135-K140 WeakPolarHBondContact CB-O 3.46Å; C135-K140 PolarHBondContact N-O 3.38Å; C135-H142 PolarHBondContact SG-CE1 3.24Å
136L86.6Confident69.3Low118 Ų118102.9 Ų102.962%0.61852%0.52SS*.THydrogen-bonded Turntrans-54.1-26.2-175.5-61.4173.6000113.4K134K134-L136 PolarHBondContact O-N 2.93Å; K134-L136 VanDerWaalsContact O-N 3.14Å
137F90.8Very high72.1Confident37 Ų3795.4 Ų95.416%0.16249%0.487CS..THydrogen-bonded Turntrans-77.8-31179.4-58.4-65.1000114.1C135 C144 C147 F149 R150 G161 H162 I163C135-F137 PolarHBondContact O-N 2.9Å; F137-C144 HydrophobicContact CD2-CB 4.22Å; F137-C144 HydrophobicContact CE2-CB 3.85Å; F137-C147 HydrophobicContact CB-CB 4.09Å; F137-C147 VanDerWaalsContact CB-SG 3.57Å; F137-C147 HydrophobicContact CD2-CB 3.88Å; F137-C147 HydrophobicContact CG-CB 4.31Å; F137-F149 HydrophobicContact CB-CB 4.4Å; F137-R150 HydrophobicContact CD1-CB 4.45Å; F137-R150 HydrophobicContact CD1-CG 4.48Å; F137-R150 HydrophobicContact CD2-CB 4.2Å; F137-R150 HydrophobicContact CD2-CG 4.31Å; F137-R150 HydrophobicContact CE1-CG 4.06Å; F137-R150 HydrophobicContact CE2-CB 4.22Å; F137-R150 HydrophobicContact CE2-CG 3.84Å; F137-R150 HydrophobicContact CG-CB 4.35Å; F137-R150 HydrophobicContact CZ-CB 4.43Å; F137-R150 HydrophobicContact CZ-CG 3.74Å; F137-G161 WeakPolarHBondContact CD1-O 3.22Å; F137-G161 WeakPolarHBondContact CE1-O 3.22Å; F137-H162 CarbonylContact O-C 3.57Å; F137-H162 WeakPolarHBondContact O-CA 3.32Å; F137-I163 PolarHBondContact O-N 3.17Å
138C91.3Very high74.6Confident7 Ų795.5 Ų95.55%0.04749%0.485CS..THydrogen-bonded Turntrans-145.7-6.1-167.773.60000117.5C135 K140 H142 C147 F149 I163C135-C138 PolarHBondContact O-N 3.45Å; C138-K140 VanDerWaalsContact C-N 3.3Å; C138-K140 PolarHBondContact O-N 2.87Å; C138-H142 PolarHBondContact SG-NE2 3.47Å; C138-C147 VanDerWaalsContact SG-SG 3.62Å; C138-F149 HydrophobicContact CB-CB 4.28Å; C138-F149 HydrophobicContact CB-CD2 3.57Å; C138-F149 HydrophobicContact CB-CE2 4.32Å; C138-F149 HydrophobicContact CB-CG 4.24Å; C138-I163 HydrophobicContact CB-CD1 3.87Å; C138-I163 HydrophobicContact CB-CG1 4.49Å
139G86.1Confident77.1Confident25 Ų2591.7 Ų91.726%0.25846%0.462SS..SBendtrans78.51.317900000116.1K134 C135K134-G139 WeakPolarHBondContact CB-O 3.05Å; K134-G139 WeakPolarHBondContact CG-O 3.48Å; C135-G139 PolarHBondContact O-N 3.3Å
140K86.8Confident79.8Confident135 Ų13590 Ų9059%0.58745%0.449SS*.SBendtrans-94.6159.4179.6-61.1-173.5178.8-174.60112.6C135 C138 H142C135-K140 WeakPolarHBondContact CB-O 3.46Å; C135-K140 PolarHBondContact N-O 3.38Å; C138-K140 VanDerWaalsContact C-N 3.3Å; C138-K140 PolarHBondContact O-N 2.87Å; K140-H142 PolarHBondContact O-N 2.94Å
141F87.5Confident81.9Confident148 Ų14890.1 Ų90.165%0.64945%0.454SS*.SBendtrans-83.495178.4-61.8-77.3000111.6F132 K134F132-F141 HydrophobicContact CB-CD1 4.4Å; F132-F141 VanDerWaalsContact O-CD1 3.23Å; F132-F141 WeakPolarHBondContact O-CD1 3.3Å; F132-F141 WeakPolarHBondContact O-CE1 3.42Å; K134-F141 HydrophobicContact CG-CD1 4.36Å; K134-F141 HydrophobicContact CG-CE1 3.84Å; K134-F141 HydrophobicContact CG-CZ 3.94Å
142H86.1Confident83.9Confident61 Ų6183.5 Ų83.528%0.28243%0.426SS..SBendtrans-163.6164.3167.65870.3000109.4C135 C138 K140 C144 C147C135-H142 PolarHBondContact SG-CE1 3.24Å; C138-H142 PolarHBondContact SG-NE2 3.47Å; K140-H142 PolarHBondContact O-N 2.94Å; H142-C144 PolarHBondContact O-N 3.03Å; H142-C147 VanDerWaalsContact CE1-SG 3.59Å
143P83.6Confident86.1Confident94 Ų9481.4 Ų81.461%0.6142%0.417SS*.  trans-54.7137.9175.1-26.135.6000112.4N145 S146P143-N145 PolarHBondContact O-N 3.28Å; P143-N145 VanDerWaalsContact O-N 3.16Å; P143-S146 PolarHBondContact O-N 2.91Å; P143-S146 PolarHBondContact O-OG 3.15Å
144C85.4Confident87.5Confident39 Ų3979.4 Ų79.426%0.26440%0.403SS..G310 helixtrans-57-31.8177.7-78.50000113.1F137 H142 S146 C147F137-C144 HydrophobicContact CD2-CB 4.22Å; F137-C144 HydrophobicContact CE2-CB 3.85Å; H142-C144 PolarHBondContact O-N 3.03Å; C144-S146 VanDerWaalsContact C-N 3.29Å; C144-S146 PolarHBondContact O-N 2.86Å; C144-C147 PolarHBondContact O-N 3.24Å
145N83.9Confident87.6Confident137 Ų13782.2 Ų82.273%0.73342%0.415SS*.G310 helixtrans-69.6-21.1178.6-64.8-15.1000114P143P143-N145 PolarHBondContact O-N 3.28Å; P143-N145 VanDerWaalsContact O-N 3.16Å
146S86Confident87.6Confident73 Ų7386.1 Ų86.151%0.5143%0.432SS..G310 helixtrans-96.36178.5680000113.4P143 C144 I148P143-S146 PolarHBondContact O-N 2.91Å; P143-S146 PolarHBondContact O-OG 3.15Å; C144-S146 VanDerWaalsContact C-N 3.29Å; C144-S146 PolarHBondContact O-N 2.86Å; S146-I148 PolarHBondContact O-N 2.99Å
147C89.6Confident87.8Confident10 Ų1082.1 Ų82.17%0.06841%0.414CS..  trans-76.8121-177.1-1630000112.2F137 C138 H142 C144 F149 R150F137-C147 HydrophobicContact CB-CB 4.09Å; F137-C147 VanDerWaalsContact CB-SG 3.57Å; F137-C147 HydrophobicContact CD2-CB 3.88Å; F137-C147 HydrophobicContact CG-CB 4.31Å; C138-C147 VanDerWaalsContact SG-SG 3.62Å; H142-C147 VanDerWaalsContact CE1-SG 3.59Å; C144-C147 PolarHBondContact O-N 3.24Å; C147-F149 PolarHBondContact O-N 2.84Å; C147-F149 PolarHBondContact SG-N 3.07Å; C147-F149 VanDerWaalsContact SG-N 3.4Å; C147-R150 HydrophobicContact CB-CB 4.33Å; C147-R150 WeakPolarHBondContact O-CB 3.29Å; C147-R150 PolarHBondContact O-N 3.27Å
148I89Confident87.7Confident148 Ų14882.7 Ų82.776%0.75943%0.43SS*.G310 helixtrans-59.3-27.3170.466.1177.2000112.4S146 R150S146-I148 PolarHBondContact O-N 2.99Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 3.19Å
149F87.5Confident87.4Confident70 Ų7087.2 Ų87.231%0.30745%0.453SS..G310 helixtrans-87.15.7178.4-55.9-72.2000113.8F137 C138 C147 N151 S152 I163F137-F149 HydrophobicContact CB-CB 4.4Å; C138-F149 HydrophobicContact CB-CB 4.28Å; C138-F149 HydrophobicContact CB-CD2 3.57Å; C138-F149 HydrophobicContact CB-CE2 4.32Å; C138-F149 HydrophobicContact CB-CG 4.24Å; C147-F149 PolarHBondContact O-N 2.84Å; C147-F149 PolarHBondContact SG-N 3.07Å; C147-F149 VanDerWaalsContact SG-N 3.4Å; F149-N151 PolarHBondContact O-N 3.22Å; F149-N151 VanDerWaalsContact O-N 3.12Å; F149-S152 PolarHBondContact O-N 3.27Å; F149-S152 VanDerWaalsContact O-N 3.11Å; F149-S152 PolarHBondContact O-OG 2.81Å; F149-I163 HydrophobicContact CB-CG2 3.69Å; F149-I163 HydrophobicContact CD1-CG2 3.49Å; F149-I163 VanDerWaalsContact CD1-CG2 3.49Å; F149-I163 HydrophobicContact CD2-CG2 4.43Å; F149-I163 HydrophobicContact CE1-CG2 4.23Å; F149-I163 HydrophobicContact CG-CG2 3.61Å
150R87.7Confident87.6Confident124 Ų12489.8 Ų89.847%0.46846%0.463SS..G310 helixtrans-53.5-35.7179.6-179.2173.3178.8-144.2-2.8113.2F137 C147 I148F137-R150 HydrophobicContact CD1-CB 4.45Å; F137-R150 HydrophobicContact CD1-CG 4.48Å; F137-R150 HydrophobicContact CD2-CB 4.2Å; F137-R150 HydrophobicContact CD2-CG 4.31Å; F137-R150 HydrophobicContact CE1-CG 4.06Å; F137-R150 HydrophobicContact CE2-CB 4.22Å; F137-R150 HydrophobicContact CE2-CG 3.84Å; F137-R150 HydrophobicContact CG-CB 4.35Å; F137-R150 HydrophobicContact CZ-CB 4.43Å; F137-R150 HydrophobicContact CZ-CG 3.74Å; C147-R150 HydrophobicContact CB-CB 4.33Å; C147-R150 WeakPolarHBondContact O-CB 3.29Å; C147-R150 PolarHBondContact O-N 3.27Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 3.19Å
151N87Confident87.5Confident129 Ų12984.3 Ų84.369%0.6945%0.445SS*.G310 helixtrans-111.812.8-178.5-60.6-18.9000113F149 T160F149-N151 PolarHBondContact O-N 3.22Å; F149-N151 VanDerWaalsContact O-N 3.12Å; N151-T160 WeakPolarHBondContact O-CG2 3.4Å
152S86.9Confident87.7Confident30 Ų3078.7 Ų78.721%0.2142%0.421CS..PPolyproline II helixtrans-76.3141.4178.362.70000111.5F149 T160 G161F149-S152 PolarHBondContact O-N 3.27Å; F149-S152 VanDerWaalsContact O-N 3.11Å; F149-S152 PolarHBondContact O-OG 2.81Å; S152-T160 WeakPolarHBondContact O-CA 3.42Å; S152-G161 PolarHBondContact O-N 2.75Å
153K91.1Very high87.9Confident151 Ų15177.3 Ų77.366%0.65742%0.415SS*.BIsolated β-bridgetrans-76.5133.7167.4-68.6-177.2179.1-178.70110F155K153-F155 PolarHBondContact O-N 3.08Å
154C91.8Very high88.2Confident2 Ų278.3 Ų78.31%0.01441%0.412CS..PPolyproline II helixtrans-72.5123.6176.71790000111.2K156 C157 G158 I159 H162 C167C154-K156 PolarHBondContact O-N 3.07Å; C154-K156 VanDerWaalsContact O-N 3.13Å; C154-K156 PolarHBondContact SG-N 3.49Å; C154-K156 VanDerWaalsContact SG-N 3.42Å; C154-C157 PolarHBondContact O-N 3.3Å; C154-G158 VanDerWaalsContact O-CA 3.3Å; C154-G158 WeakPolarHBondContact O-CA 3.2Å; C154-G158 PolarHBondContact O-N 2.82Å; C154-I159 WeakPolarHBondContact CB-O 3.48Å; C154-I159 PolarHBondContact N-O 3.41Å; C154-H162 WeakPolarHBondContact CA-O 3.46Å; C154-H162 WeakPolarHBondContact CB-NE2 3.37Å; C154-H162 WeakPolarHBondContact CB-O 3.38Å; C154-H162 PolarHBondContact N-O 3.31Å; C154-H162 PolarHBondContact SG-NE2 3.3Å; C154-H162 VanDerWaalsContact SG-NE2 3.35Å; C154-C167 VanDerWaalsContact SG-CB 3.5Å; C154-C167 PolarHBondContact SG-SG 3.08Å
155F87.6Confident88.2Confident188 Ų18881 Ų8183%0.82543%0.431SS*.THydrogen-bonded Turntrans-63.4-15.9177.3-65.8-76.2000114.8K153K153-F155 PolarHBondContact O-N 3.08Å
156K87.3Confident88.4Confident82 Ų8276.4 Ų76.436%0.35741%0.408SS..THydrogen-bonded Turntrans-95-30.7-178.2-178.2178.7169.8-154.80114.2C154 Q164 C167 T169 V171C154-K156 PolarHBondContact O-N 3.07Å; C154-K156 VanDerWaalsContact O-N 3.13Å; C154-K156 PolarHBondContact SG-N 3.49Å; C154-K156 VanDerWaalsContact SG-N 3.42Å; K156-Q164 HydrophobicContact CB-CG 4.15Å; K156-C167 HydrophobicContact CB-CB 4.23Å; K156-C167 HydrophobicContact CD-CB 3.98Å; K156-C167 PolarHBondContact NZ-O 3.18Å; K156-T169 WeakPolarHBondContact CE-O 3.48Å; K156-T169 PolarHBondContact NZ-O 3.07Å; K156-V171 HydrophobicContact CG-CG2 4.09Å
157C91.3Very high88.6Confident35 Ų3573.3 Ų73.324%0.23639%0.386CS..THydrogen-bonded Turntrans-131.1-1.9-177.569.40000115C154 I159 H162 C167 T169C154-C157 PolarHBondContact O-N 3.3Å; C157-I159 PolarHBondContact O-N 3.38Å; C157-I159 VanDerWaalsContact O-N 3.09Å; C157-H162 PolarHBondContact SG-CE1 2.85Å; C157-H162 PolarHBondContact SG-NE2 3.46Å; C157-H162 VanDerWaalsContact SG-NE2 3.4Å; C157-C167 VanDerWaalsContact SG-SG 3.66Å; C157-T169 HydrophobicContact CB-CG2 3.86Å
158G87.3Confident88.3Confident48 Ų4880.3 Ų80.350%0.49542%0.423SS..  trans75.4-15179.500000115.8C154C154-G158 VanDerWaalsContact O-CA 3.3Å; C154-G158 WeakPolarHBondContact O-CA 3.2Å; C154-G158 PolarHBondContact O-N 2.82Å
159I86.7Confident87.8Confident103 Ų10376 Ų7653%0.52840%0.404SS..  trans-71138.2-177.7-56.7174.6000110.5C154 C157C154-I159 WeakPolarHBondContact CB-O 3.48Å; C154-I159 PolarHBondContact N-O 3.41Å; C157-I159 PolarHBondContact O-N 3.38Å; C157-I159 VanDerWaalsContact O-N 3.09Å
160T88.6Confident86.8Confident78 Ų7879.9 Ų79.948%0.47943%0.425SS..BIsolated β-bridgetrans-76.2143.8175.2-51.60000111.3N151 S152N151-T160 WeakPolarHBondContact O-CG2 3.4Å; S152-T160 WeakPolarHBondContact O-CA 3.42Å
161G86Confident85.4Confident20 Ų2077.3 Ų77.321%0.20642%0.422CS..SBendtrans102.623172.600000114.6F137 S152F137-G161 WeakPolarHBondContact CD1-O 3.22Å; F137-G161 WeakPolarHBondContact CE1-O 3.22Å; S152-G161 PolarHBondContact O-N 2.75Å
162H91.3Very high83.4Confident30 Ų3078.9 Ų78.914%0.13943%0.425CS..  trans-166.5164.8160.363.7-77.4000111.2F137 C154 C157 V166 C167F137-H162 CarbonylContact O-C 3.57Å; F137-H162 WeakPolarHBondContact O-CA 3.32Å; C154-H162 WeakPolarHBondContact CA-O 3.46Å; C154-H162 WeakPolarHBondContact CB-NE2 3.37Å; C154-H162 WeakPolarHBondContact CB-O 3.38Å; C154-H162 PolarHBondContact N-O 3.31Å; C154-H162 PolarHBondContact SG-NE2 3.3Å; C154-H162 VanDerWaalsContact SG-NE2 3.35Å; C157-H162 PolarHBondContact SG-CE1 2.85Å; C157-H162 PolarHBondContact SG-NE2 3.46Å; C157-H162 VanDerWaalsContact SG-NE2 3.4Å; H162-V166 HydrophobicContact CB-CG2 3.82Å; H162-C167 PolarHBondContact NE2-SG 3.47Å
163I90.1Very high81.2Confident33 Ų3386 Ų8617%0.16945%0.453CS..  trans-100.1166.2172.168.2-178.1000112.3F137 C138 F149 S165 V166 C167F137-I163 PolarHBondContact O-N 3.17Å; C138-I163 HydrophobicContact CB-CD1 3.87Å; C138-I163 HydrophobicContact CB-CG1 4.49Å; F149-I163 HydrophobicContact CB-CG2 3.69Å; F149-I163 HydrophobicContact CD1-CG2 3.49Å; F149-I163 VanDerWaalsContact CD1-CG2 3.49Å; F149-I163 HydrophobicContact CD2-CG2 4.43Å; F149-I163 HydrophobicContact CE1-CG2 4.23Å; F149-I163 HydrophobicContact CG-CG2 3.61Å; I163-S165 VanDerWaalsContact C-N 3.25Å; I163-S165 VanDerWaalsContact CD1-OG 3.27Å; I163-S165 WeakPolarHBondContact CD1-OG 3.44Å; I163-S165 WeakPolarHBondContact CG1-OG 3.29Å; I163-S165 PolarHBondContact O-N 3.11Å; I163-S165 VanDerWaalsContact O-N 3.15Å; I163-V166 HydrophobicContact CG1-CG2 4.05Å; I163-V166 VanDerWaalsContact O-CG2 3.25Å; I163-V166 WeakPolarHBondContact O-CG2 3.35Å; I163-V166 PolarHBondContact O-N 3.36Å; I163-V166 VanDerWaalsContact O-N 3.14Å; I163-C167 PolarHBondContact O-N 3.08Å
164Q89.1Confident78.6Confident114 Ų11483.1 Ų83.153%0.53346%0.457SS..G310 helixtrans-54-34.7-178177.91708.600114.4K156 V166 C167K156-Q164 HydrophobicContact CB-CG 4.15Å; Q164-V166 VanDerWaalsContact C-N 3.27Å; Q164-V166 PolarHBondContact O-N 2.84Å; Q164-C167 WeakPolarHBondContact O-CB 3.4Å; Q164-C167 PolarHBondContact O-N 3.33Å
165S85.6Confident75.9Confident96 Ų9690.6 Ų90.667%0.67149%0.492SS*.G310 helixtrans-71.1-15.7-17861.60000115I163I163-S165 VanDerWaalsContact C-N 3.25Å; I163-S165 VanDerWaalsContact CD1-OG 3.27Å; I163-S165 WeakPolarHBondContact CD1-OG 3.44Å; I163-S165 WeakPolarHBondContact CG1-OG 3.29Å; I163-S165 PolarHBondContact O-N 3.11Å; I163-S165 VanDerWaalsContact O-N 3.15Å
166V88.8Confident73.5Confident41 Ų4186.9 Ų86.925%0.24849%0.489CS..G310 helixtrans-114.59.9174.8-67.90000112.1H162 I163 Q164 N168H162-V166 HydrophobicContact CB-CG2 3.82Å; I163-V166 HydrophobicContact CG1-CG2 4.05Å; I163-V166 VanDerWaalsContact O-CG2 3.25Å; I163-V166 WeakPolarHBondContact O-CG2 3.35Å; I163-V166 PolarHBondContact O-N 3.36Å; I163-V166 VanDerWaalsContact O-N 3.14Å; Q164-V166 VanDerWaalsContact C-N 3.27Å; Q164-V166 PolarHBondContact O-N 2.84Å; V166-N168 PolarHBondContact O-N 3.39Å
167C90.5Very high70.8Confident7 Ų789.3 Ų89.35%0.04751%0.506CS..  trans-8299.6-175.3-176.50000112.4C154 K156 C157 H162 I163 Q164 T169C154-C167 VanDerWaalsContact SG-CB 3.5Å; C154-C167 PolarHBondContact SG-SG 3.08Å; K156-C167 HydrophobicContact CB-CB 4.23Å; K156-C167 HydrophobicContact CD-CB 3.98Å; K156-C167 PolarHBondContact NZ-O 3.18Å; C157-C167 VanDerWaalsContact SG-SG 3.66Å; H162-C167 PolarHBondContact NE2-SG 3.47Å; I163-C167 PolarHBondContact O-N 3.08Å; Q164-C167 WeakPolarHBondContact O-CB 3.4Å; Q164-C167 PolarHBondContact O-N 3.33Å; C167-T169 VanDerWaalsContact C-N 3.26Å; C167-T169 PolarHBondContact O-N 3.25Å
168N82.6Confident68.4Low158 Ų15892 Ų9285%0.84553%0.531SS*.  trans-76.2-5.1177.5-67.3-15.6000114.4V166 M170V166-N168 PolarHBondContact O-N 3.39Å; N168-M170 PolarHBondContact O-N 3.41Å
169T78.9Confident66Low58 Ų5898.4 Ų98.436%0.35655%0.545SS..  trans-60.5120.3176.1-49.50000110.1K156 C157 C167K156-T169 WeakPolarHBondContact CE-O 3.48Å; K156-T169 PolarHBondContact NZ-O 3.07Å; C157-T169 HydrophobicContact CB-CG2 3.86Å; C167-T169 VanDerWaalsContact C-N 3.26Å; C167-T169 PolarHBondContact O-N 3.25Å
170M67.1Low63.4Low151 Ų151101.4 Ų101.474%0.74456%0.559SS**  trans-75.9123.2167.6-170166.8-179.500107.9N168 H172N168-M170 PolarHBondContact O-N 3.41Å; M170-H172 PolarHBondContact O-N 2.93Å
171V57.4Low60.8Low69 Ų69105.4 Ų105.442%0.41858%0.578SS.*  trans-71.3102.1172.7178.60000106.6K156 F173K156-V171 HydrophobicContact CG-CG2 4.09Å; V171-F173 VanDerWaalsContact C-N 3.34Å; V171-F173 HydrophobicContact CG1-CD2 4.47Å; V171-F173 HydrophobicContact CG1-CE2 4.33Å; V171-F173 HydrophobicContact CG1-CZ 4.48Å; V171-F173 PolarHBondContact O-N 3.35Å
172H44.5Very low58.2Low162 Ų162109 Ų10975%0.7561%0.606SS**  trans-67.1100.3163.2-84.2-86.1000107.5M170 A174M170-H172 PolarHBondContact O-N 2.93Å; H172-A174 PolarHBondContact O-N 2.93Å
173F40.9Very low55.7Low180 Ų180113.6 Ų113.679%0.78964%0.641SS**  trans-6198.7150.7-67.8-80.9000106V171 E175V171-F173 VanDerWaalsContact C-N 3.34Å; V171-F173 HydrophobicContact CG1-CD2 4.47Å; V171-F173 HydrophobicContact CG1-CE2 4.33Å; V171-F173 HydrophobicContact CG1-CZ 4.48Å; V171-F173 PolarHBondContact O-N 3.35Å; F173-E175 VanDerWaalsContact C-N 3.31Å; F173-E175 PolarHBondContact O-N 2.94Å
174A37.5Very low53Low91 Ų91118.5 Ų118.575%0.75267%0.667SS**  trans-67.198.4168.600000106.6H172 S176H172-A174 PolarHBondContact O-N 2.93Å; A174-S176 PolarHBondContact O-N 3.13Å
175E35.2Very low50.6Low158 Ų158118.6 Ų118.674%0.73867%0.672SS**  trans-54.6108.3164.2-77.9-175.8150.700107.4F173 N177F173-E175 VanDerWaalsContact C-N 3.31Å; F173-E175 PolarHBondContact O-N 2.94Å; E175-N177 PolarHBondContact O-N 3.14Å
176S37Very low48.3Very low111 Ų111121.7 Ų121.778%0.77668%0.675SS**  trans-71.675.517457.10000108.6A174 A178A174-S176 PolarHBondContact O-N 3.13Å; S176-A178 PolarHBondContact O-N 2.76Å
177N31.6Very low45.7Very low133 Ų133127.1 Ų127.171%0.71170%0.702SS**  trans-71.164.5168.5-77-54.3000109.4E175E175-N177 PolarHBondContact O-N 3.14Å
178A39.5Very low43.1Very low92 Ų92131.3 Ų131.376%0.7673%0.731SS**  trans-69126.8162.800000107.9S176S176-A178 PolarHBondContact O-N 2.76Å
179K37.3Very low40.7Very low182 Ų182130.7 Ų130.779%0.79173%0.727SS**  trans-64.5150.9-176.5-65.7167.9174.2174.20111.9
180M31.9Very low38.5Very low165 Ų165137 Ų13781%0.81375%0.75SS**  trans63.8121.3154.7-65.2153.1170.500113.9
181D33.2Very low36.9Very low163 Ų163140.8 Ų140.887%0.87276%0.756SS**  -157.4172.559.9-103-39.9000114.1
182A32.1Very low35.5Very low96 Ų96143 Ų14379%0.79378%0.775SS**  trans-76.5134.4-17500000114
183S39.2Very low34.9Very low125 Ų125138.5 Ų138.587%0.87477%0.772SS**  -161.6151.3126.241.70000110.4
184N32.6Very low34.5Very low136 Ų136138.1 Ų138.173%0.72778%0.776SS**  trans-91.3179.5-171.4-165.333.2000110.9
185D38.8Very low34.1Very low117 Ų117139.7 Ų139.763%0.62678%0.777SS**  trans90.6114.5150-67.3-47.2000120.6
186Q38.8Very low34.1Very low161 Ų161137.9 Ų137.975%0.75278%0.782SS**  trans87.690.6141-48.6-98.80.200118.8
187L32.8Very low33.7Very low155 Ų155141.1 Ų141.181%0.81278%0.784SS**  47.6144.4115-92.5160.1000122.1
188S36.5Very low33.9Very low94 Ų94140.1 Ų140.166%0.65779%0.787SS**  trans72.898.5153.146.10000120.5
189L33Very low33.6Very low146 Ų146141.1 Ų141.176%0.76479%0.789SS**  57.1139.7111.5-66.9166.2000121.3
190F32Very low33.8Very low191 Ų191137.7 Ų137.784%0.83879%0.785SS**  trans68.7135.6169.3-53.3-76.5000114.8
191R32.7Very low33.7Very low230 Ų230138.4 Ų138.487%0.86879%0.787SS**  cis-165.6164.327.7-156.816375.7-175.86.6110.9
192S29.4Very low33.8Very low116 Ų116138.1 Ų138.181%0.81178%0.784SS**  trans-56.6141.3-179.4-41.10000116.5
193G31.5Very low34Very low66 Ų66139.5 Ų139.568%0.6878%0.778SS**  trans78.7122.8131.600000119.6
194I33.1Very low33.5Very low172 Ų172142.3 Ų142.388%0.88278%0.778SS**  175.8144.2107.3-83.4152.5000108.7
195T27.7Very low33.5Very low125 Ų125142.6 Ų142.677%0.76778%0.784SS**  trans-72.8147.5-178.141.60000114.1
196S34.7Very low33.2Very low120 Ų120145.3 Ų145.384%0.83979%0.793SS**  trans-156.7151.7146.649.30000111.4
197H28.8Very low32.9Very low179 Ų179145.7 Ų145.783%0.82980%0.8SS**  trans-98.1151.3-166.4-64.1-108000113.6
198S35.5Very low32.6Very low111 Ų111147.1 Ų147.178%0.77680%0.803SS**  trans178.2111.2144.7-76.80000107.7
199S34.9Very low32.4Very low113 Ų113148 Ų14879%0.7981%0.808SS**  69.7149.886.2-57.80000114.6
200P40.1Very low32.3Very low111 Ų111149.2 Ų149.272%0.72181%0.809SS**  cis-135.1-177.5-36.239.8-22.7000113.5
201E30.5Very low31.9Very low180 Ų180146.4 Ų146.484%0.84181%0.808SS**  trans31.9134149.2-66.6172.7167.100123
202L35.6Very low31.8Very low157 Ų157144.5 Ų144.582%0.82281%0.806SS**  -168.9138.9124.8-102176.2000113.4
203N35.3Very low31.5Very low125 Ų125148.1 Ų148.167%0.66881%0.808SS**  trans-0.1130.5165.152.311.3000121.7
204E29.3Very low31.3Very low184 Ų184154.6 Ų154.686%0.8682%0.817SS**  52.7113.881.6-84.6-166.4156.900116.2
205T33.3Very low30.9Very low141 Ų141151.4 Ų151.487%0.86581%0.81SS**  -167.4143.3120.9-670000109.7
206Q31.3Very low30.7Very low174 Ų174156.1 Ų156.181%0.81381%0.814SS**  trans-64.2156.7177.9-60.6155.4-73.300113.1
207N32.7Very low30.4Very low169 Ų169159.4 Ų159.490%0.90482%0.816SS**  trans-170.9114.1134.7-91.9-38.8000110
208H27.7Very low30.2Very low186 Ų186156.5 Ų156.586%0.86181%0.811SS**  trans-132.595.7-178.5-175-63.6000110.9
209C30.8Very low29.9Very low113 Ų113161.5 Ų161.576%0.76481%0.814SS**  trans-138.2147.6168.2-61.30000106.3
210E30.4Very low29.5Very low171 Ų171167.4 Ų167.480%0.79982%0.819SS**  cis-177.8148.6-5.6-110.3-176175.800102.6K212E210-K212 PolarHBondContact O-N 3.14Å
211T24.7Very low29Very low132 Ų132169.6 Ų169.681%0.8182%0.823SS**  trans-64.6127.2-174.8-52.90000112.8
212K31.3Very low28.9Very low189 Ų189164.8 Ų164.882%0.82281%0.81SS**  trans-133.1127.5156.5-72.6-172.1179.5174.40111.3E210E210-K212 PolarHBondContact O-N 3.14Å
213F22.2Very low28.6Very low193 Ų193165.9 Ų165.985%0.84681%0.81SS**  trans-54.9139.9172.3-93.3-114.7000111.1
214F27.4Very low28.3Very low202 Ų202164.9 Ų164.989%0.88682%0.819SS**  trans-127.5120153-105.6-84.4000109.7
215S24.9Very low28.4Very low104 Ų104162.7 Ų162.773%0.72782%0.818SS**  trans-86135.5178.842.70000111.3
216R23.5Very low28.2Very low224 Ų224162.1 Ų162.185%0.84581%0.814SS**  trans46.8103.1143.8-166.8-176.1-166.3-177.75.9117.7
217Q28.4Very low28.2Very low190 Ų190159.5 Ų159.589%0.88881%0.813SS**  trans-142.6140.2144.2-113160.836.600112.5
218T23.6Very low27.9Very low117 Ų117158.6 Ų158.672%0.71881%0.808SS**  trans-105.9145.3-165.347.40000112.8
219Y29.8Very low28Very low216 Ų216159 Ų15985%0.84781%0.812SS**  trans-147.286.316234.3-93.8000113.9
220R27.3Very low28Very low237 Ų237159.1 Ų159.189%0.89481%0.81SS**  41.1147.2121.4-96.3-176-179.5-176.70.9122.8
221I28.7Very low27.8Very low157 Ų157156.7 Ų156.781%0.80581%0.81SS**  trans101.2124.9157-63.4147.4000115.3
222S29Very low28.1Very low80 Ų80161.5 Ų161.556%0.55981%0.813SS**  cis-173.1155.2-12.957.70000115.2
223H28Very low28Very low180 Ų180159.8 Ų159.883%0.83381%0.813SS**  trans76.3103.8150.3-55.4-48.9000122.8
224A30.4Very low28.4Very low104 Ų104158.3 Ų158.386%0.8681%0.814SS**  trans-157.4142.4130.200000109.5
225T30.3Very low28.6Very low137 Ų137152.8 Ų152.884%0.8480%0.801SS**  trans-105.2139.8-159.7-47.80000114.4
226V28.8Very low29.1Very low129 Ų129155.7 Ų155.778%0.78280%0.802SS**  trans-134.2136.1163.61800000108
227P32.9Very low29.4Very low120 Ų120151.1 Ų151.178%0.77980%0.8SS**  trans-84.9143.1178.732.1-32.5000113.4
228D24.9Very low29.8Very low150 Ų150147.8 Ų147.880%0.80280%0.797SS**  trans-65.6154.3-171.9-70.8-66.5000116.7
229M30.4Very low30.1Very low193 Ų193150.3 Ų150.395%0.95181%0.806SS**  trans-144.1136.2136.1-133.1176174.800111.4
230V30.2Very low30.3Very low117 Ų117143.3 Ų143.371%0.70980%0.8SS**  trans-95.5134-159.3174.70000112.9
231C27Very low30.5Very low120 Ų120139.8 Ų139.881%0.81180%0.797SS**  trans-104.7122.1163.6-66.50000111.2
232R31.1Very low30.4Very low232 Ų232137.2 Ų137.288%0.87579%0.794SS**  trans-94.3118.8164.2-80.8-178.7172167.6-2.4109
233N28.3Very low30.4Very low153 Ų153143 Ų14382%0.81880%0.804SS**  trans-119.6114.5162.6-79-16.6000108.6
234N31.6Very low30.5Very low163 Ų163139.4 Ų139.487%0.87279%0.791SS**  trans-104.9130.7159.7-77.74.9000107.7
235S30.7Very low30.5Very low86 Ų86138.8 Ų138.860%0.60178%0.781SS**  trans-59.7152.8174.242.30000112.7
236H37.2Very low30.6Very low164 Ų164140.4 Ų140.476%0.75978%0.779SS**  175.8117.8107.4-87.3-64.8000112.6
237T28.2Very low30.7Very low128 Ų128141.4 Ų141.479%0.78578%0.78SS**  trans7.6124.2144.247.20000120.2
238S37Very low30.6Very low120 Ų120146.1 Ų146.184%0.83978%0.782SS**  -174.8156.9112.243.90000112.6
239D30.7Very low31Very low170 Ų170144.8 Ų144.891%0.90977%0.773SS**  trans-74160.2-172.7-49.7-85.4000114.9
240G34.4Very low31.2Very low70 Ų70142 Ų14272%0.72276%0.761SS**  trans171.565.9174.300000119.6
241I29.9Very low31.5Very low162 Ų162141.5 Ų141.583%0.83175%0.754SS**  trans42.7101.3138.3-50.6167.1000119.6
242S28.1Very low31.8Very low104 Ų104143.3 Ų143.373%0.72775%0.751SS**  trans53.8136.8133.186.80000125.2
243Y28.1Very low32.2Very low200 Ų200136.7 Ų136.778%0.78474%0.74SS**  trans85113.3133.3-137-122.9000121.2
244N30.6Very low32.6Very low105 Ų105135.3 Ų135.356%0.56173%0.733SS**  trans86.4111.7134.6-91.330.9000124.3
245S30.1Very low33Very low91 Ų91134.8 Ų134.864%0.63673%0.725SS**  86.1141.3111.573.50000121.8
246E32.5Very low33.4Very low172 Ų172137.3 Ų137.380%0.80473%0.731SS**  trans79.3111.6155.5-72.1177.2-170.700120.2
247N30.4Very low33.3Very low150 Ų150138.9 Ų138.980%0.80274%0.739SS**  23.6115.9126.5-70.5-21.9000117.5
248R31.8Very low33.7Very low219 Ų219142 Ų14283%0.82674%0.742SS**  -171.4145.2116.8-108.6177.5165.9-1291.8115
249M32.8Very low33.9Very low122 Ų122141 Ų14160%0.60173%0.733SS**  trans87.2110.9135.4-76.117196.100122.2
250L34.5Very low34.1Very low134 Ų134140.8 Ų140.870%0.70273%0.732SS**  trans77.7149130.4-56.5-175.9000117.6
251N36.3Very low33.8Very low107 Ų107142.5 Ų142.557%0.57273%0.732SS**  cis-156.9151.714-133.57.2000113.6
252E32.7Very low34Very low157 Ų157141.6 Ų141.673%0.73473%0.734SS**  trans46.2149137.2-74.6171.1150.900122.3
253S40.2Very low34.1Very low93 Ų93144.5 Ų144.565%0.6574%0.738SS**  cis-162.5143.514.846.40000114.7
254N37.8Very low34.2Very low125 Ų125141.1 Ų141.167%0.66874%0.738SS**  trans45.6135.8131-46.1-24.9000121.2
255H39.3Very low34Very low151 Ų151142.8 Ų142.870%0.69975%0.747SS**  -167.9140.862.6-92.5-82.7000114.3
256D38Very low34.1Very low139 Ų139143.4 Ų143.474%0.74375%0.746SS**  trans50144.1141.3-47-37.4000121.5
257Q35.1Very low34.3Very low197 Ų197143.7 Ų143.792%0.92175%0.748SS**  cis-153.8168.727.3-163.8169-800113.5
258K37.7Very low34.1Very low193 Ų193145.9 Ų145.984%0.83975%0.751SS**  trans-87.5167.5-160.2-96.4-172.372175.80119
259P40.2Very low34.8Very low101 Ų101141.3 Ų141.366%0.65675%0.749SS**  trans-101.7-171.6-176.443.2-38.2000114
260N34.8Very low35Very low165 Ų165143.1 Ų143.188%0.88276%0.761SS**  trans-153158.2153.5-96.8-24.9000113.6
261S29.3Very low35Very low106 Ų106143.6 Ų143.674%0.74177%0.765SS**  trans-101.7167.3-169.750.40000114.8
262V33.9Very low35Very low143 Ų143144.3 Ų144.387%0.86778%0.775SS**  trans179.6155130.7148.90000109.3
263M30.5Very low34.9Very low165 Ų165143.9 Ų143.981%0.81378%0.777SS**  trans-102.8-169.9-166.6-43-166.8-34.900114.8
264V29.6Very low34.8Very low129 Ų129145.1 Ų145.178%0.78278%0.783SS**  trans82.3129.9162.8171.30000113.7
265D27.6Very low34.3Very low140 Ų140146 Ų14675%0.74979%0.788SS**  cis-172.9-163.8-2.4179.719.9000107.9
266V31.6Very low34Very low103 Ų103147.6 Ų147.662%0.62480%0.795SS**  trans108.798.7150-169.50000117.8
267E35.6Very low33.7Very low178 Ų178147.1 Ų147.183%0.83280%0.798SS**  trans83.3102.5139.4-68.6163.7-17000122.7
268F27.3Very low33.4Very low196 Ų196145.3 Ų145.386%0.8679%0.794SS**  trans-79.3153.4134.8-78-98.8000110
269P46.2Very low33.2Very low123 Ų123143.7 Ų143.780%0.79979%0.794SS**  trans-108.2128.1154.533.6-24.4000111.8
270D37.7Very low32.8Very low160 Ų160146.2 Ų146.286%0.85680%0.797SS**  trans-80.8157.5170.5-71.2-58.1000112.9
271D33.5Very low32.8Very low144 Ų144149 Ų14977%0.7780%0.802SS**  trans-12.8155.7159.6-109.6-1.2000120.2
272P37.2Very low32.8Very low122 Ų122150.7 Ų150.779%0.79280%0.798SS**  -153.8159.178.639.6-19.3000119.9
273L30.8Very low32.9Very low148 Ų148152.5 Ų152.578%0.77580%0.797SS**  trans-64.5153.7163.7-76.4161.8000114.1
274P38.2Very low32.9Very low120 Ų120151 Ų15178%0.77979%0.792SS**  trans-110.7147.9153.135.5-26.5000113.4
275N27.5Very low33.2Very low144 Ų144152.3 Ų152.377%0.7779%0.794SS**  trans-90.9-175.9-176.9-67-36000113.7
276E32.1Very low33.5Very low183 Ų183150 Ų15086%0.85579%0.788SS**  trans78.3131.5161.6-56.5178.9167.100115.5
277T32.6Very low33.6Very low130 Ų130154.1 Ų154.180%0.79880%0.801SS**  cis-153.5144.248.8-56.30000112.5
278L26.9Very low33.3Very low158 Ų158153.9 Ų153.983%0.82780%0.8SS**  trans-68.5148.1170-77.8158.5000112.3
279N34.7Very low33.7Very low159 Ų159150.4 Ų150.485%0.8580%0.799SS**  trans-155.2127.9142.7-96-37.2000111
280Q30.6Very low32.8Very low155 Ų155151.6 Ų151.672%0.72480%0.799SS**  trans-69.3150.5171.4-62.4161.3-75.500110
281F36.2Very low32.8Very low222 Ų222149.6 Ų149.697%0.97480%0.798SS**  -143.9145123.4-85.2-65.1000109.7
282E29.8Very low32.6Very low143 Ų143149.8 Ų149.867%0.66880%0.799SS**  trans-130.3127.9-164.4169-177.9-159.700106.5N284E282-N284 PolarHBondContact OE1-ND2 3.08Å
283E35.2Very low32.2Very low181 Ų181151.5 Ų151.585%0.84680%0.8SS**  trans-145.4101.5162.5-162.2161.6-151.800109.5
284N30.3Very low32.2Very low133 Ų133151.5 Ų151.571%0.71180%0.799SS**  trans-84.9134.6171.2-61.8-68.3000108.7E282E282-N284 PolarHBondContact OE1-ND2 3.08Å
285I36.1Very low31.8Very low157 Ų157150.2 Ų150.281%0.80579%0.792SS**  trans-133109.3153.8-36.2177.9000108
286S32.8Very low31.8Very low92 Ų92148.4 Ų148.464%0.64379%0.791SS**  trans-80.3152.2169.3500000110.2
287E34.3Very low31.7Very low188 Ų188145.4 Ų145.488%0.87979%0.785SS**  -176.1132.9107.9-98.8171.6-17400113.3
288E29.4Very low31.8Very low174 Ų174144.4 Ų144.481%0.81378%0.784SS**  trans-50.2142167.1-172.2175.4-144.300114.1
289S35Very low31.9Very low122 Ų122140 Ų14085%0.85378%0.776SS**  trans-176.5137.5132.134.60000113
290N29.1Very low31.8Very low149 Ų149138.6 Ų138.680%0.79778%0.776SS**  trans-88.5148.9179-51.1-70.2000111
291S36.9Very low31.6Very low118 Ų118139.6 Ų139.683%0.82578%0.78SS**  trans-157.1108.2149.260.30000112.6
292D29Very low31.5Very low147 Ų147136.4 Ų136.479%0.78677%0.773SS**  trans-67.9176.4154.9-67.6-66.8000111.4
293I29Very low31.3Very low159 Ų159137.8 Ų137.882%0.81578%0.78SS**  trans90.4152.4159.5-48.7160.4000116.2
294I31.8Very low31.2Very low148 Ų148138.5 Ų138.576%0.75978%0.78SS**  trans83.382.4176.3-42.9-179.8000113.7
295S28.2Very low31.1Very low92 Ų92139 Ų13964%0.64378%0.781SS**  cis86.4129.34788.90000116.4
296S27.3Very low30.6Very low107 Ų107135.7 Ų135.775%0.74877%0.772SS**  trans66143.7157.564.60000117.8
297V31.5Very low30.5Very low120 Ų120138.6 Ų138.673%0.72778%0.78SS**  -168.3132.165.71550000112.1
298S33.1Very low30.2Very low109 Ų109136.8 Ų136.876%0.76278%0.777SS**  trans50.8132153.370.80000124.2
299G29.6Very low30.3Very low65 Ų65136.4 Ų136.467%0.6778%0.779SS**  trans-77.1-157.9153.800000113.5
300P33Very low30Very low129 Ų129135.7 Ų135.784%0.83877%0.771SS**  -147.1-177.971.141.2-23.6000116.5
301H26.9Very low30.1Very low177 Ų177136.2 Ų136.282%0.81977%0.768SS**  trans-49.2151.3172.6-60.2-102.5000115.1
302N32.8Very low29.6Very low155 Ų155137.6 Ų137.683%0.82976%0.762SS**  trans-149.1129.6138.5-98.4-32.5000110.7
303E27.1Very low29.7Very low172 Ų172137.1 Ų137.180%0.80477%0.769SS**  trans-104.2122.1-176.4178.4178.1-137.300108
304F32.7Very low29.6Very low195 Ų195136.6 Ų136.686%0.85577%0.767SS**  trans-138132.8173-87.1-77.4000111.8
305I27Very low29.5Very low144 Ų144138 Ų13874%0.73877%0.768SS**  trans-97.5146.3-166.9-69.3167.1000110.9
306S26.4Very low29.6Very low87 Ų87143.7 Ų143.761%0.60878%0.777SS**  trans54135.216068.80000120.3
307N29.8Very low29.7Very low153 Ų153143.6 Ų143.682%0.81877%0.771SS**  -160.7132.7109.9-90.7-37.4000110.5
308D28.3Very low29.3Very low151 Ų151143.4 Ų143.481%0.80778%0.776SS**  trans-69.2146.6172.1-62.6-70.1000111.7
309I32.6Very low29.2Very low165 Ų165148 Ų14885%0.84678%0.778SS**  trans-133.3103.5162.4-57.1-179.9000109.3
310P28.1Very low29Very low107 Ų107153.3 Ų153.370%0.69579%0.785SS**  trans-105.4131.7167.435.1-27000112.1
311H30.2Very low28.8Very low160 Ų160154.9 Ų154.974%0.74179%0.786SS**  trans-166.7103.8158.5-126.8-81000107.9
312E27.5Very low28.6Very low147 Ų147154.2 Ų154.269%0.68779%0.788SS**  57.4106.183.5-168.7-171.3-140.700113.5
313C30.6Very low28.5Very low138 Ų138152.5 Ų152.593%0.93279%0.788SS**  trans-148.262.6165.9-100.70000110.6
314D26.7Very low28.4Very low147 Ų147149 Ų14979%0.78678%0.782SS**  trans-111.8104.4165-108.6-21.6000108.6
315K29.9Very low28.3Very low178 Ų178147.3 Ų147.377%0.77478%0.777SS**  trans174.1162.8150.7-103.4159-174.2163.10114.5
316Y30.1Very low28.1Very low212 Ų212147.4 Ų147.483%0.83178%0.777SS**  trans86.6120.3171.1-58.5-73.6000116.6
317V29.2Very low28.2Very low104 Ų104148.5 Ų148.563%0.6379%0.785SS**  cis175.9135.1-23.4131.10000103.1Y319V317-Y319 HydrophobicContact CG1-CD2 3.7Å; V317-Y319 HydrophobicContact CG1-CE2 3.61Å
318S24.5Very low27.9Very low117 Ų117149.1 Ų149.182%0.81879%0.788SS**  trans-69.2136.9174.3-51.80000111.2
319Y29.5Very low27.8Very low204 Ų204147.7 Ų147.780%0.879%0.785SS**  trans-130.9108.6156.3-92-78.2000109.9V317V317-Y319 HydrophobicContact CG1-CD2 3.7Å; V317-Y319 HydrophobicContact CG1-CE2 3.61Å
320E25.3Very low27.4Very low178 Ų178147.5 Ų147.583%0.83278%0.784SS**  trans-70.3129.8157.2-66.9178.9126.700108.5
321L29.4Very low27.4Very low162 Ų162147.4 Ų147.485%0.84878%0.781SS**  trans-134.9103.8155.9-84.4177.5000109.2S323L321-S323 PolarHBondContact O-N 3Å
322N23.7Very low27.3Very low163 Ų163144.5 Ų144.587%0.87278%0.779SS**  trans-63.3118.9161.7-75.2-50.2000108.8
323S30Very low27.2Very low118 Ų118148 Ų14883%0.82579%0.787SS**  trans-143.4123158.7-161.40000109.9L321L321-S323 PolarHBondContact O-N 3Å
324S25.1Very low27.1Very low98 Ų98146.6 Ų146.669%0.68577%0.774SS**  trans-79.9165.2177.545.20000111.9
325H30Very low27.2Very low161 Ų161143.1 Ų143.175%0.74577%0.773SS**  trans89.190.7172.9-67.1-85.7000119.1
326I23.9Very low27.1Very low145 Ų145144.1 Ų144.174%0.74477%0.774SS**  43.8113.4120.8-55.2166.7000117.8
327S28.6Very low27.1Very low111 Ų111138.6 Ų138.678%0.77677%0.766SS**  -168.8133.7128.5-78.10000110.3V329S327-V329 PolarHBondContact O-N 3.36Å
328D23.2Very low27.1Very low165 Ų165141.9 Ų141.988%0.88277%0.774SS**  trans-76.4111.9-174.2-60.9-70.8000113
329V26.8Very low27.6Very low121 Ų121145 Ų14573%0.73378%0.776SS**  trans-137.6119.6162.8179.70000109.5S327 V331S327-V329 PolarHBondContact O-N 3.36Å; V329-V331 HydrophobicContact CG1-CG2 4.39Å; V329-V331 PolarHBondContact O-N 3.36Å
330I24.3Very low27.7Very low161 Ų161143.3 Ų143.383%0.82678%0.775SS**  trans-75.2104.5176.5-61.1173000108.8
331V27.5Very low27.9Very low105 Ų105139.9 Ų139.964%0.63677%0.77SS**  trans-94.7104.5170179.30000109.3V329 Y333V329-V331 HydrophobicContact CG1-CG2 4.39Å; V329-V331 PolarHBondContact O-N 3.36Å; V331-Y333 HydrophobicContact CG1-CD2 4.17Å; V331-Y333 HydrophobicContact CG1-CE2 4.13Å; V331-Y333 PolarHBondContact O-N 2.89Å
332S27.9Very low27.8Very low99 Ų99140.2 Ų140.269%0.69277%0.769SS**  trans-71.4104173.1-59.60000110.6V334S332-V334 PolarHBondContact O-N 3.46Å; S332-V334 VanDerWaalsContact O-N 3.15Å
333Y25.8Very low28.1Very low220 Ų220140.5 Ų140.586%0.86377%0.769SS**  trans-73102169.7-94.4-96.1000110.5V331 G335V331-Y333 HydrophobicContact CG1-CD2 4.17Å; V331-Y333 HydrophobicContact CG1-CE2 4.13Å; V331-Y333 PolarHBondContact O-N 2.89Å; Y333-G335 PolarHBondContact O-N 3.08Å
334V28.1Very low27.9Very low109 Ų109142.3 Ų142.366%0.66177%0.77SS**  trans-76106.9164.9176.70000108.1S332 Y336S332-V334 PolarHBondContact O-N 3.46Å; S332-V334 VanDerWaalsContact O-N 3.15Å; V334-Y336 HydrophobicContact CG1-CD2 4.23Å; V334-Y336 HydrophobicContact CG1-CE2 4.23Å; V334-Y336 PolarHBondContact O-N 2.88Å
335G29.3Very low28Very low74 Ų74148.8 Ų148.876%0.76378%0.779SS**  trans-77.498.8170.500000110.4Y333 S337Y333-G335 PolarHBondContact O-N 3.08Å; G335-S337 PolarHBondContact O-N 3.3Å
336Y27.2Very low27.9Very low200 Ų200148.7 Ų148.778%0.78478%0.783SS**  trans-61.6122.3171.1-85.5-95.2000110.6V334V334-Y336 HydrophobicContact CG1-CD2 4.23Å; V334-Y336 HydrophobicContact CG1-CE2 4.23Å; V334-Y336 PolarHBondContact O-N 2.88Å
337S30Very low28.1Very low96 Ų96147.7 Ų147.767%0.67179%0.786SS**  trans-80.2143.6162.955.70000109.9G335 E339G335-S337 PolarHBondContact O-N 3.3Å; S337-E339 VanDerWaalsContact C-N 3.25Å; S337-E339 PolarHBondContact O-N 2.88Å
338H28.3Very low28Very low173 Ų173147.4 Ų147.480%0.80178%0.784SS**G310 helixtrans-72.9-9.7-165.4-164.3-14.8000114.5Q340H338-Q340 VanDerWaalsContact C-N 3.34Å; H338-Q340 PolarHBondContact O-N 3.11Å
339E36.3Very low28.2Very low181 Ų181149.3 Ų149.385%0.84679%0.787SS**G310 helixtrans-80.6-6.5-163.3-59.3-164.8157.400115.4S337 C341S337-E339 VanDerWaalsContact C-N 3.25Å; S337-E339 PolarHBondContact O-N 2.88Å; E339-C341 VanDerWaalsContact C-N 3.26Å; E339-C341 PolarHBondContact O-N 3.21Å
340Q32Very low28.4Very low170 Ų170146.6 Ų146.679%0.79478%0.784SS**G310 helixtrans-79.76-177.3-125.3173.19.900115.3H338H338-Q340 VanDerWaalsContact C-N 3.34Å; H338-Q340 PolarHBondContact O-N 3.11Å
341C28.1Very low28.7Very low106 Ų106150.2 Ų150.272%0.71679%0.789SS**G310 helixtrans-110.15.1-167.4-135.50000116.4E339E339-C341 VanDerWaalsContact C-N 3.26Å; E339-C341 PolarHBondContact O-N 3.21Å
342M28.8Very low28.8Very low169 Ų169152.4 Ų152.483%0.83380%0.797SS**  trans-1122.1-171.2-73.9-66-72.100116.4N344M342-N344 VanDerWaalsContact C-N 3.3Å; M342-N344 PolarHBondContact O-N 3.21Å
343L29.9Very low29.1Very low168 Ų168157 Ų15788%0.8881%0.807SS**  trans-82.97.6-177-83169000115.9
344N25.9Very low29.4Very low157 Ų157151.7 Ų151.784%0.8480%0.802SS**  trans-116.268.3-179.4-76.2-24.5000112.7M342M342-N344 VanDerWaalsContact C-N 3.3Å; M342-N344 PolarHBondContact O-N 3.21Å
345R26.7Very low29.5Very low234 Ų234156 Ų15688%0.88382%0.815SS**  trans-167.183.4161.8-108.8168.4-165.4-174.24.8111.6
346I26.7Very low29.6Very low158 Ų158155.5 Ų155.581%0.8181%0.81SS**  trans-112.7109.9163.4-59.3177000107.8
347P28.8Very low29.9Very low124 Ų124152.8 Ų152.881%0.80581%0.808SS**  trans-73.8131.5163.7-11.928.9000109.8
348S25.9Very low29.9Very low105 Ų105154.5 Ų154.573%0.73481%0.814SS**  trans-96.8126.1-178.748.20000112.6
349Q28.4Very low30.2Very low205 Ų205154.7 Ų154.796%0.95881%0.813SS**  trans160.6135.3161.6-95.2163.227.300106.5
350G30.3Very low30Very low64 Ų64153 Ų15366%0.6680%0.803SS**  cis-173.9137.9-11.600000105
351Y30.5Very low30Very low238 Ų238150.9 Ų150.993%0.93380%0.802SS**  -175.4166.293.2-104.4-92.3000109.7
352N29.6Very low30.2Very low150 Ų150154.1 Ų154.180%0.80281%0.806SS**  trans-96150.1-162-56.3-51.7000115.2
353E34.1Very low30.3Very low196 Ų196152.9 Ų152.992%0.91680%0.801SS**  trans159.9125.7142.8-90.2166.5-155.900106.4
354S33.7Very low30.3Very low108 Ų108152.6 Ų152.676%0.75580%0.799SS**  cis-146.6147.81948.90000113.1
355E29.5Very low30.4Very low200 Ų200156 Ų15694%0.93580%0.8SS**SBendtrans0.1108.6157.3-158.1161.3-15600119.2
356G31.6Very low30.5Very low64 Ų64153.9 Ų153.966%0.6680%0.8SS**SBendtrans162.1-21.7168.400000116.9
357I33Very low30.6Very low143 Ų143152.2 Ų152.273%0.73380%0.8SS**  trans-97.8-8.3-165.8-61.7175.6000113.5K359I357-K359 PolarHBondContact O-N 3.4Å
358T29.5Very low30.4Very low131 Ų131150.6 Ų150.680%0.80480%0.797SS**THydrogen-bonded Turntrans-72.218.6-169.6-22.40000116.7
359K35.4Very low30.3Very low177 Ų177151.7 Ų151.777%0.7780%0.804SS**THydrogen-bonded Turntrans-114.9-6.9179.6-86.6-173.4175179.10115.9I357I357-K359 PolarHBondContact O-N 3.4Å
360F31.4Very low30.3Very low146 Ų146147.8 Ų147.864%0.6480%0.796SS**SBendtrans-88.6-8.9-173-81.7-81.4000115.4
361T32.2Very low29.9Very low125 Ų125154 Ų15477%0.76781%0.808SS**SBendtrans-89.2-8.3-172.9-8.90000115.4
362E32.1Very low29.8Very low174 Ų174149 Ų14981%0.81380%0.801SS**SBendtrans-100.6-8.4-173.6-73.5-168.1128.300115.7
363I32Very low29.6Very low143 Ų143151.5 Ų151.573%0.73381%0.805SS**  trans-85.3-11.6-172.8-62.2178000112.8R365I363-R365 VanDerWaalsContact C-N 3.25Å; I363-R365 PolarHBondContact O-N 2.88Å
364I30.2Very low29.2Very low163 Ų163152.2 Ų152.284%0.83681%0.806SS**  trans-8566.6175.6-46.1-178.6000110.4
365R27.8Very low29Very low227 Ų227151.9 Ų151.986%0.85781%0.81SS**  trans-119.5109.1158.8-95.5-169.9-177.5-137.12.3109.3I363 P367I363-R365 VanDerWaalsContact C-N 3.25Å; I363-R365 PolarHBondContact O-N 2.88Å; R365-P367 WeakPolarHBondContact O-CD 3.41Å
366E28Very low28.8Very low190 Ų190151.5 Ų151.589%0.88881%0.808SS**  trans-61.7121.4177.3-173.2177.1-136.800111.5
367P27.9Very low28.7Very low123 Ų123155.3 Ų155.380%0.79982%0.819SS**  trans-91.5132171.133.7-29000110.7R365R365-P367 WeakPolarHBondContact O-CD 3.41Å
368A25.2Very low28.5Very low91 Ų91157.7 Ų157.775%0.75283%0.827SS**  trans-108144.8-172.700000114.7
369C24.2Very low28.6Very low128 Ų128158.6 Ų158.687%0.86583%0.826SS**  trans68.7165161.3-74.90000118.7
370P27.9Very low28.5Very low122 Ų122154.7 Ų154.779%0.79282%0.819SS**  cis-128.41761.333.2-12.8000116.6
371E21.8Very low28.7Very low195 Ų195153.9 Ų153.991%0.91182%0.821SS**  trans-74.7146.1175.4-60.2179.2127.700114.5
372V27.9Very low28.7Very low132 Ų132156.2 Ų156.280%0.882%0.824SS**  trans-141.4141166.3-174.80000110.9
373K26.8Very low28.6Very low203 Ų203153.3 Ų153.388%0.88382%0.818SS**  trans-93.5149.7-175.7-64.4177.2178.6177.20113.1
374F25.6Very low28.5Very low211 Ų211154.2 Ų154.293%0.92582%0.819SS**  trans-91.9156.2173.4-72.6-87.2000113.4
375A28.5Very low28.5Very low102 Ų102152.1 Ų152.184%0.84381%0.809SS**  trans-138.6140.5166.700000110
376Q26.4Very low28.5Very low191 Ų191151.4 Ų151.489%0.89381%0.808SS**  trans-111.4148.9177.5-70.1177.5-31.400110.4
377T28.9Very low28.4Very low145 Ų145147.1 Ų147.189%0.8980%0.797SS**  trans-153.2154.7162.9-42.80000110.5
378E29.3Very low28.4Very low193 Ų193149.1 Ų149.190%0.90280%0.801SS**  trans-97.2173.5-154-56.6163.2136.500115.5
379N31.4Very low28.3Very low149 Ų149152.3 Ų152.380%0.79780%0.8SS**  trans-137.8143.3174.7175.725.2000110.3
380P32.5Very low28.4Very low95 Ų95156.2 Ų156.262%0.61780%0.798SS**  trans-145.5160.7152.436.5-19.4000118.2
381N36Very low28.3Very low129 Ų129159.6 Ų159.669%0.6980%0.804SS**  trans100.5112158.3-52.1-43.8000117.2
382Q31.9Very low28.4Very low175 Ų175155.1 Ų155.182%0.81880%0.8SS**  90.1140.875.6-82.9179.619.500115.1
383V31.1Very low28.3Very low112 Ų112155 Ų15568%0.67979%0.794SS**  cis-168.1159.2-10.681.80000113.6
384Q29.3Very low28.1Very low162 Ų162153.6 Ų153.676%0.75779%0.791SS**  trans76.4135.1154.5-85.3164.6-16.400126.6
385D31.2Very low28.1Very low120 Ų120148.5 Ų148.564%0.64278%0.781SS**  trans99.290.1139.7-68.6-1.2000125.6
386Y26.2Very low27.8Very low211 Ų211151.8 Ų151.883%0.82778%0.776SS**  66.5152.9129.9-75.1-73.6000122.6
387P26.8Very low27.8Very low101 Ų101148.4 Ų148.466%0.65676%0.764SS**  -130.1135.9-72.835.7-17.8000113
388N26.8Very low27.5Very low164 Ų164150.3 Ų150.388%0.87776%0.76SS**  trans-153.2160.8162.7-101.6-33.7000113.3
389E24.6Very low27.3Very low159 Ų159148.4 Ų148.474%0.74376%0.756SS**SBendtrans-49.8151.6-167.8-46.5177.5137.300117.1
390Y24.9Very low27.1Very low210 Ų210145.5 Ų145.582%0.82475%0.746SS**  trans65.774.5165.2-61.1-82.5000119.3
391E25.7Very low26.8Very low193 Ų193148.3 Ų148.390%0.90275%0.749SS**  trans-154.3129.9139.9-116.6156.6-159.500109.8
392A25.6Very low26.3Very low101 Ų101147.2 Ų147.284%0.83576%0.758SS**  trans-125.671.5178.600000108.9
393D24.1Very low26Very low128 Ų128142.1 Ų142.168%0.68475%0.752SS**  trans28.8112.4163.4-61.3-35.3000118.9C395D393-C395 VanDerWaalsContact C-N 3.25Å; D393-C395 PolarHBondContact O-N 2.99Å
394E24.3Very low25.8Very low175 Ų175146.7 Ų146.782%0.81876%0.763SS**  trans-6580.2157.2-65.7-172.4137.200111.2F396E394-F396 PolarHBondContact O-N 2.89Å; E394-F396 VanDerWaalsContact O-N 3.13Å
395C25.1Very low26Very low104 Ų104142.8 Ų142.870%0.70375%0.753SS**  trans-77.195.8167.9-780000110.7D393D393-C395 VanDerWaalsContact C-N 3.25Å; D393-C395 PolarHBondContact O-N 2.99Å
396F22.4Very low26Very low171 Ų171139.1 Ų139.175%0.7574%0.737SS**  trans-52.9136.1168-78.2-106.6000111.4E394E394-F396 PolarHBondContact O-N 2.89Å; E394-F396 VanDerWaalsContact O-N 3.13Å
397L24.9Very low26.3Very low120 Ų120136 Ų13663%0.62873%0.734SS**  trans-141.769.8171-161.880.9000111.4C400L397-C400 HydrophobicContact CD2-CB 4.42Å
398F23.8Very low26.5Very low184 Ų184137.1 Ų137.181%0.80773%0.733SS**  trans-86.1-7.7175.3-110.1-80.9000113.9
399D24.2Very low26.8Very low154 Ų154134.5 Ų134.582%0.82472%0.715SS**SBendtrans-97.38.1-166.7-65.8-38.6000116
400C26.7Very low27.2Very low87 Ų87128.9 Ų128.959%0.58869%0.694SS**SBendtrans-99.58.7-175.8-70.50000116.1L397L397-C400 HydrophobicContact CD2-CB 4.42Å
401F27Very low27.6Very low155 Ų155124.1 Ų124.168%0.6868%0.682SS**  trans-116.843.6-175.2-66.6-74.3000114.7
402A25.1Very low28.1Very low106 Ų106118.7 Ų118.788%0.87666%0.662SS**  trans-103.764.6171.500000111.5
403G26.6Very low28.6Very low67 Ų67115.9 Ų115.969%0.69163%0.632SS**SBendtrans-154.765.2-169.100000115.9S405G403-S405 PolarHBondContact O-N 3.2Å; G403-S405 VanDerWaalsContact O-N 3.1Å
404K26.6Very low29.3Very low209 Ų209114.2 Ų114.291%0.90962%0.623SS**  trans3062.4161.9-63.1-174.5178.9-179.60117.5
405S32.8Very low30Very low79 Ų79110 Ų11055%0.55261%0.609SS**  trans-81.1146.6138.252.50000107.9G403G403-S405 PolarHBondContact O-N 3.2Å; G403-S405 VanDerWaalsContact O-N 3.1Å
406S32.6Very low30.6Very low43 Ų43111.2 Ų111.230%0.30160%0.6SS.*  trans-71136.8166.878.30000108.7I408 E409 S410S406-I408 PolarHBondContact O-N 3.43Å; S406-I408 VanDerWaalsContact O-N 3.12Å; S406-E409 VanDerWaalsContact CB-OE2 3.31Å; S406-E409 WeakPolarHBondContact CB-OE2 3.49Å; S406-E409 PolarHBondContact N-OE2 3.45Å; S406-E409 PolarHBondContact O-N 2.95Å; S406-E409 WeakPolarHBondContact OG-CB 3.5Å; S406-E409 WeakPolarHBondContact OG-CG 3.47Å; S406-E409 PolarHBondContact OG-N 3.41Å; S406-E409 PolarHBondContact OG-OE2 3.28Å; S406-S410 PolarHBondContact O-OG 2.89Å
407L31.6Very low31.4Very low145 Ų145105.8 Ų105.876%0.75958%0.578SS**Hα-helixtrans-59.4-20171.1-77.4164.9000111.6S410 L411L407-S410 PolarHBondContact O-OG 3.25Å; L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 PolarHBondContact O-N 3.16Å; L407-L411 VanDerWaalsContact O-N 3.1Å
408I30.4Very low32Very low126 Ų126105.3 Ų105.365%0.64658%0.576SS**Hα-helixtrans-74.5-52.3-178.9-58.8171.4000111.2S406 S410 L411 V412S406-I408 PolarHBondContact O-N 3.43Å; S406-I408 VanDerWaalsContact O-N 3.12Å; I408-S410 VanDerWaalsContact C-N 3.29Å; I408-S410 PolarHBondContact O-N 3.22Å; I408-L411 WeakPolarHBondContact O-CB 3.33Å; I408-L411 PolarHBondContact O-N 2.9Å; I408-L411 VanDerWaalsContact O-N 3.15Å; I408-V412 WeakPolarHBondContact O-CG2 3.35Å; I408-V412 PolarHBondContact O-N 3.43Å
409E34.5Very low32.6Very low108 Ų10898.1 Ų98.151%0.50555%0.551SS.*Hα-helixtrans-62.9-38.1-178.7-70.6155.6136.900111.9S406 V412 L413S406-E409 VanDerWaalsContact CB-OE2 3.31Å; S406-E409 WeakPolarHBondContact CB-OE2 3.49Å; S406-E409 PolarHBondContact N-OE2 3.45Å; S406-E409 PolarHBondContact O-N 2.95Å; S406-E409 WeakPolarHBondContact OG-CB 3.5Å; S406-E409 WeakPolarHBondContact OG-CG 3.47Å; S406-E409 PolarHBondContact OG-N 3.41Å; S406-E409 PolarHBondContact OG-OE2 3.28Å; E409-V412 PolarHBondContact O-N 2.95Å; E409-L413 PolarHBondContact O-N 3.12Å; E409-L413 VanDerWaalsContact O-N 3.13Å
410S32.9Very low33.3Very low41 Ų4192.2 Ų92.229%0.28752%0.517SS..Hα-helixtrans-69.6-37.2174.844.40000112.3S406 L407 I408 I414S406-S410 PolarHBondContact O-OG 2.89Å; L407-S410 PolarHBondContact O-OG 3.25Å; I408-S410 VanDerWaalsContact C-N 3.29Å; I408-S410 PolarHBondContact O-N 3.22Å; S410-I414 WeakPolarHBondContact O-CB 3.46Å; S410-I414 WeakPolarHBondContact O-CD1 3.27Å; S410-I414 WeakPolarHBondContact O-CG1 3.49Å; S410-I414 PolarHBondContact O-N 3.44Å; S410-I414 VanDerWaalsContact O-N 3.14Å
411L32.9Very low33.8Very low110 Ų11090.5 Ų90.558%0.57651%0.505SS*.Hα-helixtrans-61.5-45.6169.6-12078.4000112.3L407 I408 L413 I414 T415L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 PolarHBondContact O-N 3.16Å; L407-L411 VanDerWaalsContact O-N 3.1Å; I408-L411 WeakPolarHBondContact O-CB 3.33Å; I408-L411 PolarHBondContact O-N 2.9Å; I408-L411 VanDerWaalsContact O-N 3.15Å; L411-L413 PolarHBondContact O-N 3.45Å; L411-I414 PolarHBondContact O-N 3.14Å; L411-T415 WeakPolarHBondContact O-CB 3.43Å; L411-T415 PolarHBondContact O-N 2.88Å; L411-T415 PolarHBondContact O-OG1 2.87Å; L411-T415 VanDerWaalsContact O-OG1 3.05Å
412V36.2Very low34.2Very low80 Ų8085.8 Ų85.849%0.48549%0.491SS..Hα-helixtrans-61.9-45.3-177.6170.40000111I408 E409 T415 Y416I408-V412 WeakPolarHBondContact O-CG2 3.35Å; I408-V412 PolarHBondContact O-N 3.43Å; E409-V412 PolarHBondContact O-N 2.95Å; V412-T415 PolarHBondContact O-N 2.73Å; V412-Y416 WeakPolarHBondContact O-CB 3.26Å; V412-Y416 PolarHBondContact O-N 3.22Å
413L35.3Very low34.6Very low41 Ų4184.5 Ų84.522%0.21547%0.472CS..Hα-helixtrans-63.7-44.5177.9-15685.2000111.6E409 L411 Y416 I417 Y447E409-L413 PolarHBondContact O-N 3.12Å; E409-L413 VanDerWaalsContact O-N 3.13Å; L411-L413 PolarHBondContact O-N 3.45Å; L413-Y416 PolarHBondContact O-N 3.03Å; L413-I417 HydrophobicContact CD2-CD1 4.22Å; L413-I417 HydrophobicContact CG-CD1 4.07Å; L413-I417 WeakPolarHBondContact O-CB 3.32Å; L413-I417 WeakPolarHBondContact O-CD1 3.45Å; L413-I417 VanDerWaalsContact O-CG1 3.24Å; L413-I417 WeakPolarHBondContact O-CG1 3.18Å; L413-I417 PolarHBondContact O-N 2.86Å; L413-Y447 HydrophobicContact CD1-CD1 3.92Å; L413-Y447 HydrophobicContact CD1-CE1 3.68Å
414I39.6Very low35Very low93 Ų9386.4 Ų86.448%0.47746%0.459SS..Hα-helixtrans-62.6-42.9176.5-70.6168.7000111S410 L411 I417 N418S410-I414 WeakPolarHBondContact O-CB 3.46Å; S410-I414 WeakPolarHBondContact O-CD1 3.27Å; S410-I414 WeakPolarHBondContact O-CG1 3.49Å; S410-I414 PolarHBondContact O-N 3.44Å; S410-I414 VanDerWaalsContact O-N 3.14Å; L411-I414 PolarHBondContact O-N 3.14Å; I414-I417 PolarHBondContact O-N 2.89Å; I414-N418 WeakPolarHBondContact CG2-ND2 3.28Å; I414-N418 VanDerWaalsContact O-CB 3.23Å; I414-N418 WeakPolarHBondContact O-CB 3.27Å; I414-N418 PolarHBondContact O-N 2.95Å; I414-N418 PolarHBondContact O-ND2 3.17Å
415T38.9Very low35.5Very low88 Ų8881 Ų8154%0.5445%0.447SS..Hα-helixtrans-64.8-41.3177.2-660000111.5L411 V412 N418 A419L411-T415 WeakPolarHBondContact O-CB 3.43Å; L411-T415 PolarHBondContact O-N 2.88Å; L411-T415 PolarHBondContact O-OG1 2.87Å; L411-T415 VanDerWaalsContact O-OG1 3.05Å; V412-T415 PolarHBondContact O-N 2.73Å; T415-N418 PolarHBondContact O-N 3.04Å; T415-A419 VanDerWaalsContact O-CB 3.22Å; T415-A419 WeakPolarHBondContact O-CB 3.48Å; T415-A419 PolarHBondContact O-N 3.39Å
416Y38Very low35.8Very low128 Ų12884 Ų8450%0.50246%0.457SS..Hα-helixtrans-66-42.9177.6-157.1-96.2000111.9V412 L413 A419 Y420 M444V412-Y416 WeakPolarHBondContact O-CB 3.26Å; V412-Y416 PolarHBondContact O-N 3.22Å; L413-Y416 PolarHBondContact O-N 3.03Å; Y416-A419 PolarHBondContact O-N 2.92Å; Y416-Y420 PolarHBondContact O-N 2.68Å; Y416-M444 HydrophobicContact CE1-CG 4.48Å
417I39.1Very low35.8Very low57 Ų5788.7 Ų88.729%0.29248%0.476SS..Hα-helixtrans-64.2-40.8175-68.6165.6000111.3L413 I414 P421 I474L413-I417 HydrophobicContact CD2-CD1 4.22Å; L413-I417 HydrophobicContact CG-CD1 4.07Å; L413-I417 WeakPolarHBondContact O-CB 3.32Å; L413-I417 WeakPolarHBondContact O-CD1 3.45Å; L413-I417 VanDerWaalsContact O-CG1 3.24Å; L413-I417 WeakPolarHBondContact O-CG1 3.18Å; L413-I417 PolarHBondContact O-N 2.86Å; I414-I417 PolarHBondContact O-N 2.89Å; I417-P421 WeakPolarHBondContact O-CD 3.4Å; I417-I474 HydrophobicContact CD1-CD1 4.29Å
418N36.7Very low36.1Very low111 Ų11189.6 Ų89.659%0.59448%0.482SS*.Hα-helixtrans-76-25.8178.6-71.3-19.5000113.4I414 T415 P421I414-N418 WeakPolarHBondContact CG2-ND2 3.28Å; I414-N418 VanDerWaalsContact O-CB 3.23Å; I414-N418 WeakPolarHBondContact O-CB 3.27Å; I414-N418 PolarHBondContact O-N 2.95Å; I414-N418 PolarHBondContact O-ND2 3.17Å; T415-N418 PolarHBondContact O-N 3.04Å; N418-P421 WeakPolarHBondContact O-CD 3.35Å
419A37.4Very low36.5Very low32 Ų3289.5 Ų89.526%0.26448%0.483SS..Hα-helixtrans-72.9-32.4173.100000112.2T415 Y416 S422 V423T415-A419 VanDerWaalsContact O-CB 3.22Å; T415-A419 WeakPolarHBondContact O-CB 3.48Å; T415-A419 PolarHBondContact O-N 3.39Å; Y416-A419 PolarHBondContact O-N 2.92Å; A419-S422 WeakPolarHBondContact O-CA 3.3Å; A419-S422 WeakPolarHBondContact O-CB 3.45Å; A419-S422 PolarHBondContact O-N 3.43Å; A419-S422 PolarHBondContact O-OG 2.94Å; A419-V423 PolarHBondContact O-N 3.28Å
420Y39.5Very low36.7Very low31 Ų3192.6 Ų92.612%0.12250%0.495CS..Hα-helixtrans-56.3-44.8-176.7-153.8-93.4000113.5Y416 S422 Y424 S440 M444 L533Y416-Y420 PolarHBondContact O-N 2.68Å; Y420-S422 VanDerWaalsContact C-N 3.34Å; Y420-S422 PolarHBondContact O-N 3.22Å; Y420-Y424 PolarHBondContact O-N 3.44Å; Y420-S440 PolarHBondContact OH-OG 3.47Å; Y420-M444 HydrophobicContact CD2-CE 3.47Å; Y420-M444 VanDerWaalsContact CD2-CE 3.47Å; Y420-M444 HydrophobicContact CE1-CE 4.41Å; Y420-M444 HydrophobicContact CE2-CE 3.31Å; Y420-M444 HydrophobicContact CG-CE 4.1Å; Y420-L533 HydrophobicContact CD1-CD1 4.41Å; Y420-L533 HydrophobicContact CD1-CD2 4.01Å; Y420-L533 HydrophobicContact CE1-CD1 3.94Å; Y420-L533 HydrophobicContact CE1-CD2 4.37Å
421P36.3Very low36.9Very low51 Ų5199.7 Ų99.733%0.33152%0.52SS..Hα-helixtrans-60.7-35.9169.9-25.334000114.5I417 N418 Y424 S425I417-P421 WeakPolarHBondContact O-CD 3.4Å; N418-P421 WeakPolarHBondContact O-CD 3.35Å; P421-Y424 PolarHBondContact O-N 3.45Å; P421-S425 PolarHBondContact O-N 3.44Å; P421-S425 PolarHBondContact O-OG 2.87Å
422S35.1Very low37.2Very low56 Ų5699.7 Ų99.739%0.39252%0.521SS..Hα-helixtrans-69.6-36.3-174.975.80000112.8A419 Y420 S425A419-S422 WeakPolarHBondContact O-CA 3.3Å; A419-S422 WeakPolarHBondContact O-CB 3.45Å; A419-S422 PolarHBondContact O-N 3.43Å; A419-S422 PolarHBondContact O-OG 2.94Å; Y420-S422 VanDerWaalsContact C-N 3.34Å; Y420-S422 PolarHBondContact O-N 3.22Å; S422-S425 WeakPolarHBondContact CA-OG 3.13Å; S422-S425 PolarHBondContact O-OG 3.01Å
423V34.4Very low37Very low79 Ų7999.6 Ų99.648%0.47952%0.516SS..Hα-helixtrans-67.2-43171.3-178.80000109.8A419 S425 N426 M427A419-V423 PolarHBondContact O-N 3.28Å; V423-S425 VanDerWaalsContact C-N 3.28Å; V423-S425 PolarHBondContact O-N 3.19Å; V423-N426 PolarHBondContact O-N 2.94Å; V423-M427 HydrophobicContact CG1-CE 4.4Å; V423-M427 HydrophobicContact CG1-SD 4.45Å
424Y34.7Very low36.7Very low107 Ų107105.8 Ų105.842%0.4254%0.538SS..Hα-helixtrans-66.5-25-178.5-138.2-89.1000114.1Y420 P421 F437 F529Y420-Y424 PolarHBondContact O-N 3.44Å; P421-Y424 PolarHBondContact O-N 3.45Å; Y424-F437 HydrophobicContact CE2-CD2 4.13Å; Y424-F529 HydrophobicContact CD1-CE1 4.35Å; Y424-F529 HydrophobicContact CE1-CE1 4.42Å
425S37Very low36.4Very low94 Ų94108.5 Ų108.566%0.65755%0.548SS*.THydrogen-bonded Turntrans-82.3-12.4177.443.20000115.1P421 S422 V423P421-S425 PolarHBondContact O-N 3.44Å; P421-S425 PolarHBondContact O-OG 2.87Å; S422-S425 WeakPolarHBondContact CA-OG 3.13Å; S422-S425 PolarHBondContact O-OG 3.01Å; V423-S425 VanDerWaalsContact C-N 3.28Å; V423-S425 PolarHBondContact O-N 3.19Å
426N38Very low36.1Very low142 Ų142109.3 Ų109.376%0.75955%0.549SS*.THydrogen-bonded Turntrans-106.6-5.1-173.8-111-12.9000114.7V423V423-N426 PolarHBondContact O-N 2.94Å
427M34.3Very low35.7Very low142 Ų142104.4 Ų104.470%0.753%0.531SS*.  trans-10893.2-174.1-69-168.1168.400112.6V423 N429V423-M427 HydrophobicContact CG1-CE 4.4Å; V423-M427 HydrophobicContact CG1-SD 4.45Å; M427-N429 PolarHBondContact O-N 2.87Å; M427-N429 VanDerWaalsContact O-N 3.12Å
428N37.5Very low35.4Very low165 Ų165108.6 Ų108.688%0.88254%0.543SS*.  trans-69.2-1.9-179.9-82.6-34.9000115.3K430N428-K430 PolarHBondContact O-N 2.87Å
429N38.4Very low35.4Very low124 Ų124106 Ų10666%0.66354%0.535SS*.  trans-102.388.6-164.6-144.9-12.7000113.2M427 K431M427-N429 PolarHBondContact O-N 2.87Å; M427-N429 VanDerWaalsContact O-N 3.12Å; N429-K431 PolarHBondContact O-N 3.22Å
430K39.2Very low35.2Very low173 Ų173106.3 Ų106.375%0.75254%0.535SS*.THydrogen-bonded Turntrans-60.6-12-171.7-69.9178178.9171.10116.5N428 M433N428-K430 PolarHBondContact O-N 2.87Å; K430-M433 HydrophobicContact CB-SD 4.15Å; K430-M433 HydrophobicContact CG-SD 4.09Å
431K37.1Very low35Very low190 Ų190105.6 Ų105.683%0.82653%0.532SS*.THydrogen-bonded Turntrans-87.1-31.3-169.8-131.5176.4-177.4-178.10114.2N429N429-K431 PolarHBondContact O-N 3.22Å
432N39Very low35Very low109 Ų109105.4 Ų105.458%0.58353%0.532SS*.THydrogen-bonded Turntrans-90.7-8.6176.2-67.27.8000112.8Y434 H435N432-Y434 PolarHBondContact O-N 3.06Å; N432-H435 PolarHBondContact O-N 3.45Å
433M31.9Very low35.1Very low79 Ų79109.3 Ų109.339%0.38954%0.544SS..Hα-helixtrans-43-36.8-176.8-92.1-179.457.500115.6K430 F437K430-M433 HydrophobicContact CB-SD 4.15Å; K430-M433 HydrophobicContact CG-SD 4.09Å; M433-F437 WeakPolarHBondContact O-CB 2.98Å
434Y28.8Very low35.2Very low170 Ų170107 Ų10767%0.66753%0.528SS*.Hα-helixtrans-79.5-40.9-172.2-77.9-87.1000113.5N432 Y438N432-Y434 PolarHBondContact O-N 3.06Å; Y434-Y438 HydrophobicContact CD1-CE2 4.4Å; Y434-Y438 VanDerWaalsContact O-CD2 3.28Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.49Å; Y434-Y438 PolarHBondContact O-N 3.38Å
435H32.5Very low35.4Very low151 Ų151103.4 Ų103.470%0.69952%0.516SS*.Hα-helixtrans-76.5-41.1-169-139.8-76.5000111.8N432 S439N432-H435 PolarHBondContact O-N 3.45Å; H435-S439 WeakPolarHBondContact O-CB 3.42Å; H435-S439 PolarHBondContact O-N 2.89Å; H435-S439 PolarHBondContact O-OG 2.92Å
436D32.7Very low35.5Very low104 Ų104103.6 Ų103.656%0.55651%0.506SS*.Hα-helixtrans-70-39.5176.5-59-33.5000111.1Y438 S439 S440D436-Y438 PolarHBondContact O-N 3.09Å; D436-S439 PolarHBondContact O-N 3.33Å; D436-S440 PolarHBondContact O-N 2.76Å; D436-S440 PolarHBondContact O-OG 3.36Å; D436-S440 VanDerWaalsContact O-OG 3.06Å
437F30.2Very low35.5Very low26 Ų26102.9 Ų102.911%0.11449%0.494CS..Hα-helixtrans-59.2-47.3177.1176.7-95.1000113.1Y424 M433 S439 S440 Q441 L533 L536Y424-F437 HydrophobicContact CE2-CD2 4.13Å; M433-F437 WeakPolarHBondContact O-CB 2.98Å; F437-S439 VanDerWaalsContact C-N 3.29Å; F437-S439 PolarHBondContact O-N 2.81Å; F437-S440 PolarHBondContact O-OG 2.75Å; F437-Q441 HydrophobicContact CD1-CG 4.41Å; F437-Q441 HydrophobicContact CE1-CG 4.08Å; F437-Q441 HydrophobicContact CE2-CG 4.35Å; F437-Q441 VanDerWaalsContact CZ-CD 3.46Å; F437-Q441 HydrophobicContact CZ-CG 4.04Å; F437-Q441 VanDerWaalsContact O-CB 3.27Å; F437-Q441 WeakPolarHBondContact O-CB 3.26Å; F437-Q441 WeakPolarHBondContact O-CG 3.47Å; F437-Q441 PolarHBondContact O-N 3Å; F437-L533 HydrophobicContact CE2-CD1 4.33Å; F437-L536 HydrophobicContact CZ-CD1 4.01Å
438Y33.3Very low35.6Very low144 Ų14497.1 Ų97.157%0.56547%0.466SS*.Hα-helixtrans-67.6-31.1177.1-85.3-66.6000112.7Y434 D436 S442Y434-Y438 HydrophobicContact CD1-CE2 4.4Å; Y434-Y438 VanDerWaalsContact O-CD2 3.28Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.49Å; Y434-Y438 PolarHBondContact O-N 3.38Å; D436-Y438 PolarHBondContact O-N 3.09Å; Y438-S442 WeakPolarHBondContact O-CB 3.12Å; Y438-S442 PolarHBondContact O-N 3.05Å; Y438-S442 PolarHBondContact O-OG 2.84Å
439S35.3Very low35.5Very low58 Ų5895.5 Ų95.541%0.40645%0.453SS..Hα-helixtrans-73-45.5179.4-55.40000110.9H435 D436 F437 S442 H443H435-S439 WeakPolarHBondContact O-CB 3.42Å; H435-S439 PolarHBondContact O-N 2.89Å; H435-S439 PolarHBondContact O-OG 2.92Å; D436-S439 PolarHBondContact O-N 3.33Å; F437-S439 VanDerWaalsContact C-N 3.29Å; F437-S439 PolarHBondContact O-N 2.81Å; S439-S442 PolarHBondContact O-N 3.38Å; S439-H443 PolarHBondContact O-N 3.45Å
440S34.5Very low35.3Very low38 Ų3895.6 Ų95.627%0.26645%0.453SS..Hα-helixtrans-70.7-33.9175.161.20000113Y420 D436 F437 M444Y420-S440 PolarHBondContact OH-OG 3.47Å; D436-S440 PolarHBondContact O-N 2.76Å; D436-S440 PolarHBondContact O-OG 3.36Å; D436-S440 VanDerWaalsContact O-OG 3.06Å; F437-S440 PolarHBondContact O-OG 2.75Å; S440-M444 WeakPolarHBondContact O-CB 3.33Å; S440-M444 PolarHBondContact O-N 2.83Å
441Q34Very low35Very low15 Ų1592.6 Ų92.67%0.0744%0.437CS..Hα-helixtrans-61.9-45.8169.5-84.1-161.5-46.100111.5F437 H443 M444 M445F437-Q441 HydrophobicContact CD1-CG 4.41Å; F437-Q441 HydrophobicContact CE1-CG 4.08Å; F437-Q441 HydrophobicContact CE2-CG 4.35Å; F437-Q441 VanDerWaalsContact CZ-CD 3.46Å; F437-Q441 HydrophobicContact CZ-CG 4.04Å; F437-Q441 VanDerWaalsContact O-CB 3.27Å; F437-Q441 WeakPolarHBondContact O-CB 3.26Å; F437-Q441 WeakPolarHBondContact O-CG 3.47Å; F437-Q441 PolarHBondContact O-N 3Å; Q441-H443 PolarHBondContact O-N 3.29Å; Q441-M444 PolarHBondContact O-N 3.46Å; Q441-M444 VanDerWaalsContact O-N 3.11Å; Q441-M445 WeakPolarHBondContact O-CB 3.12Å; Q441-M445 VanDerWaalsContact O-CG 3.3Å; Q441-M445 WeakPolarHBondContact O-CG 3.05Å; Q441-M445 PolarHBondContact O-N 3.07Å
442S36.6Very low34.7Very low47 Ų4787.3 Ų87.333%0.32942%0.417SS..Hα-helixtrans-57.5-47.6-177.5-630000112Y438 S439 M444 M445 E446Y438-S442 WeakPolarHBondContact O-CB 3.12Å; Y438-S442 PolarHBondContact O-N 3.05Å; Y438-S442 PolarHBondContact O-OG 2.84Å; S439-S442 PolarHBondContact O-N 3.38Å; S442-M444 PolarHBondContact O-N 2.94Å; S442-M445 PolarHBondContact O-N 3.16Å; S442-E446 WeakPolarHBondContact O-CG 3.45Å; S442-E446 PolarHBondContact O-N 3.08Å
443H38.3Very low34.3Very low138 Ų13886.5 Ų86.564%0.63942%0.42SS*.Hα-helixtrans-63.4-38.1175.5-86.3-83.6000113.3S439 Q441 Y447S439-H443 PolarHBondContact O-N 3.45Å; Q441-H443 PolarHBondContact O-N 3.29Å; H443-Y447 PolarHBondContact O-N 3.18Å
444M36.4Very low34.2Very low31 Ų3186.8 Ų86.815%0.15343%0.426CS..Hα-helixtrans-68.2-38.2177.4-160.7-163.4-53.400111.6Y416 Y420 S440 Q441 S442 Y447 L448Y416-M444 HydrophobicContact CE1-CG 4.48Å; Y420-M444 HydrophobicContact CD2-CE 3.47Å; Y420-M444 VanDerWaalsContact CD2-CE 3.47Å; Y420-M444 HydrophobicContact CE1-CE 4.41Å; Y420-M444 HydrophobicContact CE2-CE 3.31Å; Y420-M444 HydrophobicContact CG-CE 4.1Å; S440-M444 WeakPolarHBondContact O-CB 3.33Å; S440-M444 PolarHBondContact O-N 2.83Å; Q441-M444 PolarHBondContact O-N 3.46Å; Q441-M444 VanDerWaalsContact O-N 3.11Å; S442-M444 PolarHBondContact O-N 2.94Å; M444-Y447 PolarHBondContact O-N 3.04Å; M444-L448 HydrophobicContact CG-CD1 4.26Å; M444-L448 WeakPolarHBondContact O-CB 3.11Å; M444-L448 WeakPolarHBondContact O-CG 3.41Å; M444-L448 PolarHBondContact O-N 3.31Å
445M37.6Very low34.2Very low31 Ų3185.6 Ų85.615%0.15342%0.422CS..Hα-helixtrans-67.9-44.4177.2-70.3-58.2-58.200111.7Q441 S442 Y447 L448 E449 A541Q441-M445 WeakPolarHBondContact O-CB 3.12Å; Q441-M445 VanDerWaalsContact O-CG 3.3Å; Q441-M445 WeakPolarHBondContact O-CG 3.05Å; Q441-M445 PolarHBondContact O-N 3.07Å; S442-M445 PolarHBondContact O-N 3.16Å; M445-Y447 VanDerWaalsContact C-N 3.29Å; M445-Y447 PolarHBondContact O-N 3.48Å; M445-L448 PolarHBondContact O-N 3.45Å; M445-L448 VanDerWaalsContact O-N 3.14Å; M445-L448 HydrophobicContact SD-CD1 4.48Å; M445-E449 WeakPolarHBondContact O-CG 3.36Å; M445-E449 PolarHBondContact O-N 2.64Å; M445-A541 HydrophobicContact CE-CB 3.91Å
446E39.8Very low34.1Very low98 Ų9883.5 Ų83.546%0.45842%0.422SS..Hα-helixtrans-60.2-38.1175.5-74174.1-173.300111.7S442 L450S442-E446 WeakPolarHBondContact O-CG 3.45Å; S442-E446 PolarHBondContact O-N 3.08Å; E446-L450 PolarHBondContact O-N 3.4Å; E446-L450 VanDerWaalsContact O-N 3.15Å
447Y38.4Very low33.9Very low127 Ų12784.8 Ų84.850%0.49842%0.424SS..Hα-helixtrans-68.7-38.2174.6-161.4-89000112.8L413 H443 M444 M445 Y451L413-Y447 HydrophobicContact CD1-CD1 3.92Å; L413-Y447 HydrophobicContact CD1-CE1 3.68Å; H443-Y447 PolarHBondContact O-N 3.18Å; M444-Y447 PolarHBondContact O-N 3.04Å; M445-Y447 VanDerWaalsContact C-N 3.29Å; M445-Y447 PolarHBondContact O-N 3.48Å; Y447-Y451 PolarHBondContact O-N 2.93Å; Y447-Y451 VanDerWaalsContact O-N 3.12Å
448L35.7Very low33.7Very low22 Ų2290.4 Ų90.412%0.11545%0.454CS..Hα-helixtrans-69.1-41.4175.8-80.3162.5000112.3M444 M445 Y451 I452 M472M444-L448 HydrophobicContact CG-CD1 4.26Å; M444-L448 WeakPolarHBondContact O-CB 3.11Å; M444-L448 WeakPolarHBondContact O-CG 3.41Å; M444-L448 PolarHBondContact O-N 3.31Å; M445-L448 PolarHBondContact O-N 3.45Å; M445-L448 VanDerWaalsContact O-N 3.14Å; M445-L448 HydrophobicContact SD-CD1 4.48Å; L448-Y451 PolarHBondContact O-N 3.26Å; L448-I452 HydrophobicContact CB-CD1 4.49Å; L448-I452 WeakPolarHBondContact O-CB 3.44Å; L448-I452 WeakPolarHBondContact O-CD1 3.1Å; L448-I452 WeakPolarHBondContact O-CG1 3.33Å; L448-I452 PolarHBondContact O-N 3.33Å; L448-M472 HydrophobicContact CD2-SD 3.93Å
449E34.9Very low33.4Very low131 Ų13188.2 Ų88.261%0.61245%0.451SS*.Hα-helixtrans-61.3-44.5175.5-76-173.3166.600111.7M445 Y451 I452 S453M445-E449 WeakPolarHBondContact O-CG 3.36Å; M445-E449 PolarHBondContact O-N 2.64Å; E449-Y451 VanDerWaalsContact C-N 3.35Å; E449-Y451 PolarHBondContact O-N 3.33Å; E449-I452 PolarHBondContact O-N 3.01Å; E449-S453 PolarHBondContact O-N 3.39Å
450L35.7Very low32.9Very low126 Ų12691.3 Ų91.366%0.6647%0.468SS*.Hα-helixtrans-55.9-48.3172.5-86.6162.7000111.4E446 S453E446-L450 PolarHBondContact O-N 3.4Å; E446-L450 VanDerWaalsContact O-N 3.15Å; L450-S453 PolarHBondContact O-N 3.24Å; L450-S453 PolarHBondContact O-OG 2.68Å
451Y31.3Very low32.5Very low109 Ų10998.4 Ų98.443%0.42749%0.49SS..Hα-helixtrans-69.3-39.2-177.7-163.6-94.5000113.4Y447 L448 E449 S453 V454Y447-Y451 PolarHBondContact O-N 2.93Å; Y447-Y451 VanDerWaalsContact O-N 3.12Å; L448-Y451 PolarHBondContact O-N 3.26Å; E449-Y451 VanDerWaalsContact C-N 3.35Å; E449-Y451 PolarHBondContact O-N 3.33Å; Y451-S453 PolarHBondContact O-N 3.34Å; Y451-V454 PolarHBondContact O-N 3.06Å
452I32.4Very low32Very low79 Ų79102.7 Ų102.741%0.40552%0.522SS..Hα-helixtrans-65.6-28.6178.9-71164.5000111.5L448 E449 V454 I471L448-I452 HydrophobicContact CB-CD1 4.49Å; L448-I452 WeakPolarHBondContact O-CB 3.44Å; L448-I452 WeakPolarHBondContact O-CD1 3.1Å; L448-I452 WeakPolarHBondContact O-CG1 3.33Å; L448-I452 PolarHBondContact O-N 3.33Å; E449-I452 PolarHBondContact O-N 3.01Å; I452-V454 PolarHBondContact O-N 2.84Å; I452-I471 HydrophobicContact CG2-CG2 4.42Å
453S30.5Very low31.4Very low93 Ų93105.1 Ų105.165%0.6554%0.539SS*.THydrogen-bonded Turntrans-65.3-16178.778.30000115E449 L450 Y451E449-S453 PolarHBondContact O-N 3.39Å; L450-S453 PolarHBondContact O-N 3.24Å; L450-S453 PolarHBondContact O-OG 2.68Å; Y451-S453 PolarHBondContact O-N 3.34Å
454V30.3Very low30.8Very low85 Ų85109.3 Ų109.352%0.51555%0.549SS..THydrogen-bonded Turntrans-98.1-21.4-166.1-171.50000114Y451 I452Y451-V454 PolarHBondContact O-N 3.06Å; I452-V454 PolarHBondContact O-N 2.84Å
455Y28.4Very low30.3Very low144 Ų144113 Ų11357%0.56558%0.577SS**  trans-139.181.9-167.8-67.8-75.6000116.7Q457Y455-Q457 PolarHBondContact O-N 3.05Å
456P29.6Very low30.2Very low108 Ų108113.8 Ų113.870%0.70158%0.584SS**  trans-84.1106164.631.9-30.5000111.4
457Q28.1Very low29.9Very low130 Ų130118.5 Ų118.561%0.60760%0.597SS**BIsolated β-bridgetrans-111.2123.4167.6-70.5-169.8500111.2Y455Y455-Q457 PolarHBondContact O-N 3.05Å
458I26.7Very low30Very low145 Ų145115 Ų11574%0.74459%0.585SS**PPolyproline II helixtrans-87.6117.6-178.2-59.1172.8000109.5T460I458-T460 HydrophobicContact CG2-CG2 4.29Å
459L26.3Very low30.3Very low97 Ų97117.3 Ų117.351%0.50860%0.595SS.*PPolyproline II helixtrans-99.4119.2168.1-77.4166.9000109.9K470L459-K470 HydrophobicContact CD1-CD 3.83Å
460T25.3Very low31Very low124 Ų124112.9 Ų112.976%0.76157%0.574SS**PPolyproline II helixtrans-101.6124.6171.544.80000110.5I458I458-T460 HydrophobicContact CG2-CG2 4.29Å
461Y26Very low31.7Very low186 Ų186109.3 Ų109.373%0.72956%0.555SS**  trans-125.4129.2172.6-153.1-93.9000109.8
462S24.3Very low32.5Very low106 Ų106106.3 Ų106.374%0.74155%0.545SS*.  trans-89.7136.2168.6-169.70000107.3
463S23.9Very low33.2Very low98 Ų98106.5 Ų106.569%0.68554%0.544SS*.SBendcis-138.6161.440.658.30000113.2
464R25.8Very low33.7Very low225 Ų225105.3 Ų105.385%0.84953%0.53SS*.SBendtrans68.552-176-54.6-174.8180-177.51.3116.1V466R464-V466 PolarHBondContact O-N 2.67Å
465C25.6Very low34.4Very low108 Ų108103.9 Ų103.973%0.7353%0.533SS*.  trans41.369.6151-60.60000116.9R484C465-R484 VanDerWaalsContact O-CZ 3.31Å; C465-R484 PolarHBondContact O-NE 3.47Å; C465-R484 PolarHBondContact O-NH2 2.8Å
466V34.7Very low35Very low49 Ų49101.7 Ų101.730%0.29753%0.531SS..  trans-128.1116.9156-176.50000107.1R464 F468 T482R464-V466 PolarHBondContact O-N 2.67Å; V466-F468 HydrophobicContact CB-CD2 4.36Å; V466-F468 HydrophobicContact CB-CE2 3.66Å; V466-F468 HydrophobicContact CB-CZ 3.91Å; V466-F468 HydrophobicContact CG1-CD1 4.39Å; V466-F468 HydrophobicContact CG1-CD2 4.09Å; V466-F468 HydrophobicContact CG1-CE1 3.9Å; V466-F468 HydrophobicContact CG1-CE2 3.56Å; V466-F468 HydrophobicContact CG1-CG 4.48Å; V466-F468 HydrophobicContact CG1-CZ 3.45Å; V466-F468 VanDerWaalsContact CG1-CZ 3.45Å; V466-F468 WeakPolarHBondContact O-CD2 3.44Å; V466-T482 HydrophobicContact CG1-CG2 3.95Å
467R34Very low35.4Very low196 Ų19698.8 Ų98.874%0.7451%0.511SS*.EExtended strand (participates in β ladder)trans-78.4135.2169.3-71.5-178.1-179176.60.8107.8L483R467-L483 HydrophobicContact CB-CB 3.73Å; R467-L483 PolarHBondContact O-N 3.43Å
468F40.1Very low36.2Very low55 Ų5594.5 Ų94.524%0.24149%0.492CS..EExtended strand (participates in β ladder)trans-117.3138.7175.3-66.8-87.4000109.4V466 A480 K481 T482 K499V466-F468 HydrophobicContact CB-CD2 4.36Å; V466-F468 HydrophobicContact CB-CE2 3.66Å; V466-F468 HydrophobicContact CB-CZ 3.91Å; V466-F468 HydrophobicContact CG1-CD1 4.39Å; V466-F468 HydrophobicContact CG1-CD2 4.09Å; V466-F468 HydrophobicContact CG1-CE1 3.9Å; V466-F468 HydrophobicContact CG1-CE2 3.56Å; V466-F468 HydrophobicContact CG1-CG 4.48Å; V466-F468 HydrophobicContact CG1-CZ 3.45Å; V466-F468 VanDerWaalsContact CG1-CZ 3.45Å; V466-F468 WeakPolarHBondContact O-CD2 3.44Å; F468-A480 HydrophobicContact CB-CB 4.31Å; F468-A480 HydrophobicContact CD1-CB 4.12Å; F468-K481 WeakPolarHBondContact CA-O 3.4Å; F468-T482 HydrophobicContact CD1-CG2 3.94Å; F468-T482 HydrophobicContact CE1-CG2 3.57Å; F468-T482 HydrophobicContact CZ-CG2 4.42Å; F468-K499 HydrophobicContact CE1-CB 4.44Å; F468-K499 HydrophobicContact CE1-CD 4.5Å
469E42.7Very low37.3Very low70 Ų7088.6 Ų88.633%0.32746%0.462SS..EExtended strand (participates in β ladder)trans-104.7110.6168.4-177.6168.8-136.400106.6I471 A480 K481 L483E469-I471 PolarHBondContact O-N 2.98Å; E469-A480 CarbonylContact O-C 3.59Å; E469-A480 VanDerWaalsContact O-CA 3.32Å; E469-A480 WeakPolarHBondContact O-CA 3.3Å; E469-K481 HydrophobicContact CB-CB 4.44Å; E469-K481 PolarHBondContact N-O 2.87Å; E469-K481 PolarHBondContact O-N 2.96Å; E469-K481 IonicContact OE2-NZ 2.8Å; E469-K481 PolarHBondContact OE2-NZ 3.04Å; E469-L483 HydrophobicContact CB-CD1 3.95Å
470K49.5Very low38.3Very low38 Ų3884.5 Ų84.517%0.16544%0.441CS..EExtended strand (participates in β ladder)trans-73.8119.8176.1177.7178.8178-176.20107.7L459 I478L459-K470 HydrophobicContact CD1-CD 3.83Å; K470-I478 HydrophobicContact CD-CG2 4.33Å; K470-I478 HydrophobicContact CG-CG2 4.09Å
471I50.4Low39.3Very low50 Ų5082 Ų8226%0.25642%0.42SS..EExtended strand (participates in β ladder)trans-97.3-40-177.6-73.1161.9000110.8I452 E469 L479 K481 W498I452-I471 HydrophobicContact CG2-CG2 4.42Å; E469-I471 PolarHBondContact O-N 2.98Å; I471-L479 HydrophobicContact CB-CD2 4.37Å; I471-L479 HydrophobicContact CB-CG 4.45Å; I471-L479 HydrophobicContact CG2-CD2 4.05Å; I471-L479 PolarHBondContact N-O 3.27Å; I471-K481 HydrophobicContact CD1-CB 3.47Å; I471-K481 VanDerWaalsContact CD1-CB 3.47Å; I471-K481 HydrophobicContact CD1-CD 4.15Å; I471-K481 HydrophobicContact CD1-CG 4.49Å; I471-K481 HydrophobicContact CG1-CB 4.47Å; I471-W498 HydrophobicContact CD1-CH2 4.07Å; I471-W498 HydrophobicContact CD1-CZ3 3.55Å
472M48.8Very low40.2Very low47 Ų4774.8 Ų74.823%0.23240%0.396CS..EExtended strand (participates in β ladder)trans-154.2155.6-178.1-169.7168.258.200111.2L448 I474 L479L448-M472 HydrophobicContact CD2-SD 3.93Å; M472-I474 HydrophobicContact CE-CD1 3.52Å; M472-I474 HydrophobicContact CE-CG1 4Å; M472-I474 HydrophobicContact CG-CG1 4.08Å; M472-I474 HydrophobicContact SD-CD1 3.82Å; M472-I474 HydrophobicContact SD-CG1 3.95Å; M472-L479 HydrophobicContact CB-CB 4.25Å; M472-L479 PolarHBondContact N-O 3.02Å; M472-L479 PolarHBondContact O-N 3.47Å
473Q45.5Very low41Very low83 Ų8374.1 Ų74.139%0.38838%0.383SS..EExtended strand (participates in β ladder)trans-132.4126.4162.1179.8175.3-11.600109.9G475 V477 I478Q473-G475 VanDerWaalsContact CG-O 3.28Å; Q473-G475 WeakPolarHBondContact CG-O 3.23Å; Q473-G475 PolarHBondContact NE2-O 3.3Å; Q473-V477 CarbonylContact C-O 3.49Å; Q473-V477 WeakPolarHBondContact CA-O 3.41Å; Q473-I478 HydrophobicContact CG-CG1 4.2Å
474I41Very low41.6Very low67 Ų6775.4 Ų75.434%0.34437%0.373SS..EExtended strand (participates in β ladder)trans-118.1102.6173.3-61.7-179.9000107.4I417 M472 N476 V477I417-I474 HydrophobicContact CD1-CD1 4.29Å; M472-I474 HydrophobicContact CE-CD1 3.52Å; M472-I474 HydrophobicContact CE-CG1 4Å; M472-I474 HydrophobicContact CG-CG1 4.08Å; M472-I474 HydrophobicContact SD-CD1 3.82Å; M472-I474 HydrophobicContact SD-CG1 3.95Å; I474-N476 PolarHBondContact O-N 3.25Å; I474-V477 PolarHBondContact N-O 3.01Å; I474-V477 WeakPolarHBondContact O-CB 3.39Å; I474-V477 PolarHBondContact O-N 3.24Å
475G44.9Very low42Very low56 Ų5670 Ų7058%0.57737%0.369SS*.THydrogen-bonded Turntrans54.9-111.9-17100000111Q473Q473-G475 VanDerWaalsContact CG-O 3.28Å; Q473-G475 WeakPolarHBondContact CG-O 3.23Å; Q473-G475 PolarHBondContact NE2-O 3.3Å
476N41.1Very low42.1Very low98 Ų9874.5 Ų74.552%0.52438%0.377SS..THydrogen-bonded Turntrans-88.9-8.4-179.2-60.4-23.7000113.8I474 A503I474-N476 PolarHBondContact O-N 3.25Å; N476-A503 HydrophobicContact CB-CB 3.59Å; N476-A503 WeakPolarHBondContact ND2-CB 3.42Å
477V37.9Very low41.9Very low47 Ų4775.7 Ų75.729%0.28538%0.381SS..EExtended strand (participates in β ladder)trans-88.8113-177.2168.90000110.6Q473 I474 V500 H501Q473-V477 CarbonylContact C-O 3.49Å; Q473-V477 WeakPolarHBondContact CA-O 3.41Å; I474-V477 PolarHBondContact N-O 3.01Å; I474-V477 WeakPolarHBondContact O-CB 3.39Å; I474-V477 PolarHBondContact O-N 3.24Å; V477-V500 HydrophobicContact CG1-CG1 4.06Å; V477-H501 WeakPolarHBondContact CA-O 3.24Å
478I45.3Very low41.7Very low39 Ų3971.6 Ų71.620%0.238%0.38CS..EExtended strand (participates in β ladder)trans-98.6124.3171.1-56.9174.7000109.2K470 Q473 K499 V500 H501K470-I478 HydrophobicContact CD-CG2 4.33Å; K470-I478 HydrophobicContact CG-CG2 4.09Å; Q473-I478 HydrophobicContact CG-CG1 4.2Å; I478-K499 VanDerWaalsContact O-O 3.13Å; I478-V500 WeakPolarHBondContact O-CA 3.15Å; I478-H501 HydrophobicContact CB-CB 4.26Å; I478-H501 HydrophobicContact CD1-CB 4.48Å; I478-H501 HydrophobicContact CG1-CB 4.43Å; I478-H501 PolarHBondContact O-N 3.2Å
479L49.9Very low41.3Very low22 Ų2274.4 Ų74.412%0.11540%0.402CS..EExtended strand (participates in β ladder)trans-96119.9167.6-176.866000109.3I471 M472 W498 L538I471-L479 HydrophobicContact CB-CD2 4.37Å; I471-L479 HydrophobicContact CB-CG 4.45Å; I471-L479 HydrophobicContact CG2-CD2 4.05Å; I471-L479 PolarHBondContact N-O 3.27Å; M472-L479 HydrophobicContact CB-CB 4.25Å; M472-L479 PolarHBondContact N-O 3.02Å; M472-L479 PolarHBondContact O-N 3.47Å; L479-W498 HydrophobicContact CD1-CE3 3.76Å; L479-W498 HydrophobicContact CD1-CZ3 4.41Å; L479-W498 HydrophobicContact CG-CE3 4.25Å; L479-W498 HydrophobicContact CG-CZ3 4.48Å; L479-L538 HydrophobicContact CD1-CD2 3.96Å; L479-L538 HydrophobicContact CD2-CD2 4.28Å
480A48.5Very low40.8Very low10 Ų1077.6 Ų77.68%0.08342%0.421CS..EExtended strand (participates in β ladder)trans-132.3136.6178.100000112.7F468 E469F468-A480 HydrophobicContact CB-CB 4.31Å; F468-A480 HydrophobicContact CD1-CB 4.12Å; E469-A480 CarbonylContact O-C 3.59Å; E469-A480 VanDerWaalsContact O-CA 3.32Å; E469-A480 WeakPolarHBondContact O-CA 3.3Å
481K46.4Very low40Very low71 Ų7182.5 Ų82.531%0.30944%0.442SS..EExtended strand (participates in β ladder)trans-93.8137.1173.7165.7-179164.1-145.70110F468 E469 I471 W498F468-K481 WeakPolarHBondContact CA-O 3.4Å; E469-K481 HydrophobicContact CB-CB 4.44Å; E469-K481 PolarHBondContact N-O 2.87Å; E469-K481 PolarHBondContact O-N 2.96Å; E469-K481 IonicContact OE2-NZ 2.8Å; E469-K481 PolarHBondContact OE2-NZ 3.04Å; I471-K481 HydrophobicContact CD1-CB 3.47Å; I471-K481 VanDerWaalsContact CD1-CB 3.47Å; I471-K481 HydrophobicContact CD1-CD 4.15Å; I471-K481 HydrophobicContact CD1-CG 4.49Å; I471-K481 HydrophobicContact CG1-CB 4.47Å; K481-W498 HydrophobicContact CB-CE3 4.49Å; K481-W498 HydrophobicContact CB-CH2 4.13Å; K481-W498 HydrophobicContact CB-CZ3 3.93Å; K481-W498 HydrophobicContact CG-CH2 4.48Å
482T44.6Very low39.1Very low36 Ų3692.5 Ų92.522%0.22148%0.477CS..EExtended strand (participates in β ladder)trans-84.6120.2177.4520000112.1V466 F468 R484 C497V466-T482 HydrophobicContact CG1-CG2 3.95Å; F468-T482 HydrophobicContact CD1-CG2 3.94Å; F468-T482 HydrophobicContact CE1-CG2 3.57Å; F468-T482 HydrophobicContact CZ-CG2 4.42Å; T482-R484 PolarHBondContact O-N 3.48Å; T482-C497 HydrophobicContact CG2-CB 4.46Å; T482-C497 PolarHBondContact OG1-O 3.04Å
483L41.2Very low38.3Very low92 Ų9291.9 Ų91.948%0.48248%0.483SS..EExtended strand (participates in β ladder)trans-90.184167.9-82.1155.7000109.3R467 E469R467-L483 HydrophobicContact CB-CB 3.73Å; R467-L483 PolarHBondContact O-N 3.43Å; E469-L483 HydrophobicContact CB-CD1 3.95Å
484R36.7Very low37.7Very low125 Ų12591.5 Ų91.547%0.47250%0.501SS..  trans-128.7112.8168.3-114.1-169.7-176.9-135.23.4111.2C465 T482 D487C465-R484 VanDerWaalsContact O-CZ 3.31Å; C465-R484 PolarHBondContact O-NE 3.47Å; C465-R484 PolarHBondContact O-NH2 2.8Å; T482-R484 PolarHBondContact O-N 3.48Å; R484-D487 IonicContact CZ-OD2 2.67Å; R484-D487 VanDerWaalsContact NH1-CB 3.28Å; R484-D487 IonicContact NH1-OD2 3.27Å; R484-D487 PolarHBondContact NH1-OD2 3.19Å
485S33.1Very low37.4Very low110 Ų11090 Ų9077%0.76950%0.502SS*.  trans-73.1132.3160.255.70000109.9D487S485-D487 PolarHBondContact O-N 2.89Å
486K29Very low37.4Very low204 Ų20494 Ų9489%0.88750%0.501SS*.  trans3582156-63178.8179.3174.70116.3
487D30.1Very low37.6Very low74 Ų7490.9 Ų90.940%0.39649%0.486SS..  trans-116.897.4152.9-164.9-19.4000108.2R484 S485 T489R484-D487 IonicContact CZ-OD2 2.67Å; R484-D487 VanDerWaalsContact NH1-CB 3.28Å; R484-D487 IonicContact NH1-OD2 3.27Å; R484-D487 PolarHBondContact NH1-OD2 3.19Å; S485-D487 PolarHBondContact O-N 2.89Å; D487-T489 PolarHBondContact O-N 2.99Å; D487-T489 VanDerWaalsContact O-N 3.13Å; D487-T489 PolarHBondContact OD1-OG1 3.5Å
488P29.2Very low38Very low110 Ų11089.5 Ų89.571%0.71448%0.476SS*.THydrogen-bonded Turntrans-70.9-7-166.7-20.633.4000115.4
489T32Very low38.1Very low114 Ų11489.6 Ų89.670%0.69948%0.475SS*.THydrogen-bonded Turntrans-83.7-14.5-160.254.30000115.2D487D487-T489 PolarHBondContact O-N 2.99Å; D487-T489 VanDerWaalsContact O-N 3.13Å; D487-T489 PolarHBondContact OD1-OG1 3.5Å
490L32.1Very low37.8Very low137 Ų13789.2 Ų89.272%0.71747%0.474SS*.SBendtrans-119.3-17-179.4-74.6169.3000115.1
491F33.4Very low37.6Very low140 Ų14092 Ų9261%0.61449%0.485SS*.  trans-13797.2-169.8-59.6-75.5000112.6G493F491-G493 PolarHBondContact O-N 3.19Å
492R31.6Very low37.4Very low260 Ų26090.9 Ų90.998%0.98148%0.482SS*.SBendtrans-77.247.1-176.9-143.8179.4-161.8-140.85114
493G30.5Very low37.2Very low35 Ų3592.2 Ų92.236%0.36150%0.497SS..SBendtrans144.491.2162.200000114.7F491 K513F491-G493 PolarHBondContact O-N 3.19Å; G493-K513 VanDerWaalsContact O-CD 3.26Å; G493-K513 WeakPolarHBondContact O-CD 3.28Å; G493-K513 WeakPolarHBondContact O-CE 3.46Å; G493-K513 PolarHBondContact O-NZ 3.46Å
494G32.5Very low37.1Very low74 Ų7493.2 Ų93.276%0.76350%0.503SS*.  trans36.189.8154.700000117.9
495G36Very low37.3Very low37 Ų3791.6 Ų91.638%0.38151%0.511SS..  trans-137.3156.1168.300000111.1Y512G495-Y512 CarbonylContact C-O 3.48Å; G495-Y512 WeakPolarHBondContact CA-O 3.01Å
496Y45.1Very low37.8Very low138 Ų13890.7 Ų90.754%0.54149%0.493SS..EExtended strand (participates in β ladder)trans-89.1139.3173.2-64.8-79.8000110Y512Y496-Y512 HydrophobicContact CD2-CD1 4.38Å; Y496-Y512 PolarHBondContact N-O 2.93Å; Y496-Y512 PolarHBondContact O-N 3.25Å
497C45Very low38.6Very low33 Ų3386.5 Ų86.522%0.22347%0.472CS..EExtended strand (participates in β ladder)trans-114.4129.2175.7-170.20000110.4T482 F510T482-C497 HydrophobicContact CG2-CB 4.46Å; T482-C497 PolarHBondContact OG1-O 3.04Å; C497-F510 WeakPolarHBondContact CA-O 3.49Å
498W47.1Very low39.3Very low19 Ų1983.8 Ų83.87%0.07246%0.457CS..EExtended strand (participates in β ladder)trans-115.7134.8177.9-50.781.3000109.3I471 L479 K481 F510 F542I471-W498 HydrophobicContact CD1-CH2 4.07Å; I471-W498 HydrophobicContact CD1-CZ3 3.55Å; L479-W498 HydrophobicContact CD1-CE3 3.76Å; L479-W498 HydrophobicContact CD1-CZ3 4.41Å; L479-W498 HydrophobicContact CG-CE3 4.25Å; L479-W498 HydrophobicContact CG-CZ3 4.48Å; K481-W498 HydrophobicContact CB-CE3 4.49Å; K481-W498 HydrophobicContact CB-CH2 4.13Å; K481-W498 HydrophobicContact CB-CZ3 3.93Å; K481-W498 HydrophobicContact CG-CH2 4.48Å; W498-F510 HydrophobicContact CB-CB 4.16Å; W498-F510 PolarHBondContact N-O 3.47Å; W498-F510 PolarHBondContact O-N 2.89Å; W498-F510 VanDerWaalsContact O-N 3.08Å; W498-F542 HydrophobicContact CD2-CZ 4.27Å; W498-F542 AromaticContact CE2-CZ 3.49Å; W498-F542 VanDerWaalsContact CE2-CZ 3.49Å; W498-F542 AromaticContact CH2-CE1 3.58Å; W498-F542 HydrophobicContact CH2-CE1 3.58Å; W498-F542 AromaticContact CH2-CZ 3.4Å; W498-F542 HydrophobicContact CH2-CZ 3.4Å; W498-F542 VanDerWaalsContact CH2-CZ 3.4Å; W498-F542 AromaticContact CZ2-CE1 3.32Å; W498-F542 HydrophobicContact CZ2-CE1 3.32Å; W498-F542 HydrophobicContact CZ2-CE2 4.11Å; W498-F542 AromaticContact CZ2-CZ 3.07Å; W498-F542 HydrophobicContact CZ2-CZ 3.07Å; W498-F542 HydrophobicContact CZ3-CZ 4.09Å; W498-F542 AromaticContact NE1-CZ 3.99Å
499K46.3Very low40.1Very low41 Ų4184.2 Ų84.218%0.17845%0.445CS..EExtended strand (participates in β ladder)trans-107.1124.8173.9-171.4-179.6-178.3-177.20108.4F468 I478 H501F468-K499 HydrophobicContact CE1-CB 4.44Å; F468-K499 HydrophobicContact CE1-CD 4.5Å; I478-K499 VanDerWaalsContact O-O 3.13Å; K499-H501 PolarHBondContact NZ-NE2 2.94Å
500V43.9Very low40.8Very low14 Ų1479 Ų799%0.08541%0.412CS..EExtended strand (participates in β ladder)trans-103.5126166.4168.70000108.1V477 I478 Q508 F510V477-V500 HydrophobicContact CG1-CG1 4.06Å; I478-V500 WeakPolarHBondContact O-CA 3.15Å; V500-Q508 PolarHBondContact N-O 2.83Å; V500-F510 HydrophobicContact CB-CE2 3.95Å; V500-F510 HydrophobicContact CG2-CD2 4.08Å; V500-F510 HydrophobicContact CG2-CE2 3.57Å; V500-F510 HydrophobicContact CG2-CZ 4.48Å
501H44.6Very low41.2Very low69 Ų6974.1 Ų74.132%0.31939%0.386SS..  trans-89.7153.5162.4-80.4-91.8000109.9V477 I478 K499V477-H501 WeakPolarHBondContact CA-O 3.24Å; I478-H501 HydrophobicContact CB-CB 4.26Å; I478-H501 HydrophobicContact CD1-CB 4.48Å; I478-H501 HydrophobicContact CG1-CB 4.43Å; I478-H501 PolarHBondContact O-N 3.2Å; K499-H501 PolarHBondContact NZ-NE2 2.94Å
502D41.5Very low41.2Very low47 Ų4770.5 Ų70.525%0.25137%0.368SS..  trans-134.4148.2162.117327.2000106.2N504 S505D502-N504 PolarHBondContact O-N 3.17Å; D502-N504 PolarHBondContact OD1-ND2 3.39Å; D502-N504 WeakPolarHBondContact OD2-CB 3.4Å; D502-N504 PolarHBondContact OD2-ND2 3.4Å; D502-S505 PolarHBondContact O-N 2.98Å; D502-S505 VanDerWaalsContact O-N 3.08Å
503A39.5Very low41.4Very low64 Ų6462.3 Ų62.353%0.52934%0.34SS..THydrogen-bonded Turntrans-65.1-13.8-177.800000112.9N476 S505N476-A503 HydrophobicContact CB-CB 3.59Å; N476-A503 WeakPolarHBondContact ND2-CB 3.42Å; A503-S505 PolarHBondContact O-N 3.5Å
504N39.5Very low41.5Very low112 Ų11265 Ų6560%0.59936%0.359SS*.THydrogen-bonded Turntrans-82.818173.5-53.8-66.2000113.3D502 K506D502-N504 PolarHBondContact O-N 3.17Å; D502-N504 PolarHBondContact OD1-ND2 3.39Å; D502-N504 WeakPolarHBondContact OD2-CB 3.4Å; D502-N504 PolarHBondContact OD2-ND2 3.4Å; N504-K506 HydrophobicContact CB-CD 4.43Å; N504-K506 HydrophobicContact CB-CG 4.38Å; N504-K506 PolarHBondContact O-N 3.34Å; N504-K506 VanDerWaalsContact O-N 3.08Å
505S41.1Very low41.3Very low92 Ų9264.4 Ų64.464%0.64335%0.352SS*.  trans56.622.9-179.2-61.60000115.1D502 A503 Y507D502-S505 PolarHBondContact O-N 2.98Å; D502-S505 VanDerWaalsContact O-N 3.08Å; A503-S505 PolarHBondContact O-N 3.5Å; S505-Y507 PolarHBondContact O-N 3.26Å
506K43.4Very low40.8Very low91 Ų9166.7 Ų66.740%0.39636%0.359SS..  trans-88.8107.5-179.6-69.5-179.8-176.7178.90110.7N504N504-K506 HydrophobicContact CB-CD 4.43Å; N504-K506 HydrophobicContact CB-CG 4.38Å; N504-K506 PolarHBondContact O-N 3.34Å; N504-K506 VanDerWaalsContact O-N 3.08Å
507Y45.4Very low40.1Very low116 Ų11662.3 Ų62.346%0.45534%0.344SS..  trans-77.8128175.4-57.8-72.2000111.5S505S505-Y507 PolarHBondContact O-N 3.26Å
508Q44.8Very low39.4Very low16 Ų1663.9 Ų63.98%0.07535%0.35CS..EExtended strand (participates in β ladder)trans-122.5132.9161-69-169.77.600110.8V500 F510 Y520V500-Q508 PolarHBondContact N-O 2.83Å; Q508-F510 HydrophobicContact CB-CE2 3.8Å; Q508-F510 HydrophobicContact CB-CZ 4.17Å; Q508-Y520 WeakPolarHBondContact CA-O 3.44Å
509W46.6Very low38.7Very low120 Ų12065.8 Ų65.846%0.45536%0.364SS..EExtended strand (participates in β ladder)trans-106.7128.7176.8-60.887.1000108.6Y520W509-Y520 HydrophobicContact CB-CD2 3.99Å; W509-Y520 PolarHBondContact O-N 3.29Å
510F46.4Very low38Very low3 Ų370 Ų701%0.01338%0.379CS..EExtended strand (participates in β ladder)trans-113125.7172.9-58.2-96.8000108.4C497 W498 V500 Q508 L517 I518 V519C497-F510 WeakPolarHBondContact CA-O 3.49Å; W498-F510 HydrophobicContact CB-CB 4.16Å; W498-F510 PolarHBondContact N-O 3.47Å; W498-F510 PolarHBondContact O-N 2.89Å; W498-F510 VanDerWaalsContact O-N 3.08Å; V500-F510 HydrophobicContact CB-CE2 3.95Å; V500-F510 HydrophobicContact CG2-CD2 4.08Å; V500-F510 HydrophobicContact CG2-CE2 3.57Å; V500-F510 HydrophobicContact CG2-CZ 4.48Å; Q508-F510 HydrophobicContact CB-CE2 3.8Å; Q508-F510 HydrophobicContact CB-CZ 4.17Å; F510-L517 HydrophobicContact CB-CD1 4.11Å; F510-L517 HydrophobicContact CD1-CD1 4.19Å; F510-L517 HydrophobicContact CD1-CD2 4.31Å; F510-I518 WeakPolarHBondContact CA-O 3.49Å; F510-V519 HydrophobicContact CD1-CB 4.48Å; F510-V519 HydrophobicContact CD1-CG1 4.28Å; F510-V519 HydrophobicContact CD1-CG2 3.8Å; F510-V519 HydrophobicContact CE1-CB 4.38Å; F510-V519 HydrophobicContact CE1-CG1 3.79Å; F510-V519 HydrophobicContact CE1-CG2 3.8Å; F510-V519 HydrophobicContact CZ-CG1 4.25Å
511H40.5Very low37.4Very low36 Ų3673.5 Ų73.517%0.16740%0.398CS..EExtended strand (participates in β ladder)trans-115.9119.4174.3176.3-86.1000109.1L517 I518H511-L517 WeakPolarHBondContact O-CA 3.24Å; H511-I518 HydrophobicContact CB-CB 4.38Å; H511-I518 PolarHBondContact N-O 2.96Å; H511-I518 PolarHBondContact O-N 3.09Å
512Y34.7Very low36.8Very low64 Ų6474.1 Ų74.125%0.25141%0.41SS..EExtended strand (participates in β ladder)trans-107.2123.4175.5179.6-110.2000111G495 Y496 G515 V516 M539G495-Y512 CarbonylContact C-O 3.48Å; G495-Y512 WeakPolarHBondContact CA-O 3.01Å; Y496-Y512 HydrophobicContact CD2-CD1 4.38Å; Y496-Y512 PolarHBondContact N-O 2.93Å; Y496-Y512 PolarHBondContact O-N 3.25Å; Y512-G515 PolarHBondContact OH-N 2.88Å; Y512-V516 WeakPolarHBondContact CA-O 3.38Å; Y512-M539 HydrophobicContact CD2-CE 4.24Å
513K34.6Very low36.1Very low87 Ų8782.3 Ų82.338%0.37844%0.437SS..EExtended strand (participates in β ladder)trans-144118.4171.4175.4178.9178.9165.80109.6G493 G515 V516G493-K513 VanDerWaalsContact O-CD 3.26Å; G493-K513 WeakPolarHBondContact O-CD 3.28Å; G493-K513 WeakPolarHBondContact O-CE 3.46Å; G493-K513 PolarHBondContact O-NZ 3.46Å; K513-G515 PolarHBondContact O-N 2.84Å; K513-V516 PolarHBondContact N-O 3.23Å; K513-V516 WeakPolarHBondContact O-CB 3.5Å; K513-V516 PolarHBondContact O-N 3.35Å
514A32.4Very low35.5Very low92 Ų9284.8 Ų84.876%0.7645%0.446SS*.THydrogen-bonded Turntrans42.158.816900000114.2V516A514-V516 VanDerWaalsContact C-N 3.35Å; A514-V516 PolarHBondContact O-N 3.2Å
515G28.6Very low34.8Very low61 Ų6188.8 Ų88.863%0.62946%0.461SS*.THydrogen-bonded Turntrans82.8-2.6179.500000116.2Y512 K513Y512-G515 PolarHBondContact OH-N 2.88Å; K513-G515 PolarHBondContact O-N 2.84Å
516V25.9Very low34.2Very low85 Ų8587.7 Ų87.752%0.51545%0.45SS..EExtended strand (participates in β ladder)trans-106.7119.2176.6-173.60000110.7Y512 K513 A514 I518Y512-V516 WeakPolarHBondContact CA-O 3.38Å; K513-V516 PolarHBondContact N-O 3.23Å; K513-V516 WeakPolarHBondContact O-CB 3.5Å; K513-V516 PolarHBondContact O-N 3.35Å; A514-V516 VanDerWaalsContact C-N 3.35Å; A514-V516 PolarHBondContact O-N 3.2Å; V516-I518 HydrophobicContact CG1-CG1 3.98Å
517L30.3Very low33.4Very low46 Ų4687.2 Ų87.224%0.24146%0.458CS..EExtended strand (participates in β ladder)trans-97.3118.2165.8-17574.1000109.6F510 H511 V519 I535 M539F510-L517 HydrophobicContact CB-CD1 4.11Å; F510-L517 HydrophobicContact CD1-CD1 4.19Å; F510-L517 HydrophobicContact CD1-CD2 4.31Å; H511-L517 WeakPolarHBondContact O-CA 3.24Å; L517-V519 HydrophobicContact CD2-CG2 3.89Å; L517-V519 HydrophobicContact CG-CG2 4.11Å; L517-I535 HydrophobicContact CD2-CD1 4.41Å; L517-I535 HydrophobicContact CD2-CG1 4.07Å; L517-I535 HydrophobicContact CD2-CG2 3.83Å; L517-M539 HydrophobicContact CB-CE 4Å; L517-M539 HydrophobicContact CD1-CE 3.94Å; L517-M539 HydrophobicContact CD2-CE 4.13Å; L517-M539 HydrophobicContact CG-CE 4.24Å
518I29.9Very low32.6Very low67 Ų6788.4 Ų88.434%0.34447%0.472SS..EExtended strand (participates in β ladder)trans-103.2123.4170.1-49.1178000108.5F510 H511 V516 Y520F510-I518 WeakPolarHBondContact CA-O 3.49Å; H511-I518 HydrophobicContact CB-CB 4.38Å; H511-I518 PolarHBondContact N-O 2.96Å; H511-I518 PolarHBondContact O-N 3.09Å; V516-I518 HydrophobicContact CG1-CG1 3.98Å; I518-Y520 HydrophobicContact CB-CE2 4.14Å; I518-Y520 HydrophobicContact CG2-CD2 4.17Å; I518-Y520 HydrophobicContact CG2-CE1 4.21Å; I518-Y520 HydrophobicContact CG2-CE2 3.54Å
519V33.9Very low31.8Very low59 Ų5995 Ų9536%0.35850%0.501SS..EExtended strand (participates in β ladder)trans-108.3120.1177.6-173.80000109F510 L517 I535F510-V519 HydrophobicContact CD1-CB 4.48Å; F510-V519 HydrophobicContact CD1-CG1 4.28Å; F510-V519 HydrophobicContact CD1-CG2 3.8Å; F510-V519 HydrophobicContact CE1-CB 4.38Å; F510-V519 HydrophobicContact CE1-CG1 3.79Å; F510-V519 HydrophobicContact CE1-CG2 3.8Å; F510-V519 HydrophobicContact CZ-CG1 4.25Å; L517-V519 HydrophobicContact CD2-CG2 3.89Å; L517-V519 HydrophobicContact CG-CG2 4.11Å; V519-I535 HydrophobicContact CG2-CD1 4.4Å
520Y31.4Very low31.4Very low129 Ų12995.6 Ų95.651%0.50651%0.508SS..EExtended strand (participates in β ladder)trans-101.4123.3173.5-60-90.9000110.1Q508 W509 I518Q508-Y520 WeakPolarHBondContact CA-O 3.44Å; W509-Y520 HydrophobicContact CB-CD2 3.99Å; W509-Y520 PolarHBondContact O-N 3.29Å; I518-Y520 HydrophobicContact CB-CE2 4.14Å; I518-Y520 HydrophobicContact CG2-CD2 4.17Å; I518-Y520 HydrophobicContact CG2-CE1 4.21Å; I518-Y520 HydrophobicContact CG2-CE2 3.54Å
521N31.3Very low30.8Very low87 Ų8798 Ų9847%0.46552%0.519SS..EExtended strand (participates in β ladder)trans-124.6120.3178.8-177.4-8.8000110.9R523N521-R523 VanDerWaalsContact C-N 3.32Å; N521-R523 PolarHBondContact O-N 3.36Å
522S30.9Very low30.6Very low82 Ų82104.8 Ų104.857%0.57354%0.543SS*.  trans-80.574.7176.2600000112.3
523R27Very low31.1Very low219 Ų219104.1 Ų104.183%0.82654%0.544SS*.SBendtrans64.8142.6168.4-71-177.8170.2177.6-3118.2N521N521-R523 VanDerWaalsContact C-N 3.32Å; N521-R523 PolarHBondContact O-N 3.36Å
524T26.6Very low31.6Very low117 Ų117102.6 Ų102.672%0.71854%0.539SS*.SBendtrans67.9109.6160.936.90000119.3
525Q24.8Very low32.3Very low195 Ų195100.5 Ų100.591%0.91152%0.515SS*.  trans23.5101.2157.9-64.8-172.1-0.300118.2
526V28.8Very low33.1Very low70 Ų70101.4 Ų101.442%0.42451%0.505SS..  trans-123.6139.5147.1-176.40000106.6L528 F531V526-L528 PolarHBondContact O-N 3.19Å; V526-F531 HydrophobicContact CB-CD2 4.49Å; V526-F531 HydrophobicContact CB-CE2 3.96Å; V526-F531 HydrophobicContact CG1-CD2 4.28Å; V526-F531 HydrophobicContact CG1-CE2 3.77Å
527S27.3Very low34.1Very low80 Ų8099.5 Ų99.556%0.55949%0.491SS*.  trans-53.9125.5-17067.50000112.7F529S527-F529 PolarHBondContact O-N 2.86Å
528L27.9Very low34.9Very low142 Ų14298.2 Ų98.274%0.74349%0.485SS*.Hα-helixtrans-61.6-13.1-174.7-91.1106.6000114.5V526 R532V526-L528 PolarHBondContact O-N 3.19Å; L528-R532 PolarHBondContact O-N 2.96Å
529F29.1Very low35.5Very low155 Ų15598.5 Ų98.568%0.6849%0.485SS*.Hα-helixtrans-74-47.2-172.9-127.8-92.6000113.1Y424 S527 R532Y424-F529 HydrophobicContact CD1-CE1 4.35Å; Y424-F529 HydrophobicContact CE1-CE1 4.42Å; S527-F529 PolarHBondContact O-N 2.86Å; F529-R532 PolarHBondContact O-N 3.07Å
530Q36.9Very low36Very low131 Ų13197.9 Ų97.961%0.61248%0.484SS*.Hα-helixtrans-72.7-30.1178.9-67.1-151.3-21.600112.8R532 L533 L534Q530-R532 PolarHBondContact O-N 3.34Å; Q530-L533 PolarHBondContact O-N 3.01Å; Q530-L534 PolarHBondContact O-N 3.33Å
531F34.7Very low36.6Very low55 Ų5594.3 Ų94.324%0.24148%0.481CS..Hα-helixtrans-66-34.2174.5-90.3-75.1000113.4V526 L533 L534 I535V526-F531 HydrophobicContact CB-CD2 4.49Å; V526-F531 HydrophobicContact CB-CE2 3.96Å; V526-F531 HydrophobicContact CG1-CD2 4.28Å; V526-F531 HydrophobicContact CG1-CE2 3.77Å; F531-L533 VanDerWaalsContact C-N 3.31Å; F531-L533 PolarHBondContact O-N 3.09Å; F531-L534 PolarHBondContact O-N 3.3Å; F531-I535 WeakPolarHBondContact O-CB 3.39Å; F531-I535 WeakPolarHBondContact O-CD1 3.45Å; F531-I535 VanDerWaalsContact O-CG1 3.24Å; F531-I535 WeakPolarHBondContact O-CG1 3.33Å; F531-I535 PolarHBondContact O-N 3.43Å
532R36.3Very low36.8Very low177 Ų17796.7 Ų96.767%0.66849%0.488SS*.Hα-helixtrans-61.8-40.4171.8-82.8-175.4169.1-171-3.6111.9L528 F529 Q530 I535 L536L528-R532 PolarHBondContact O-N 2.96Å; F529-R532 PolarHBondContact O-N 3.07Å; Q530-R532 PolarHBondContact O-N 3.34Å; R532-I535 PolarHBondContact O-N 3.13Å; R532-L536 WeakPolarHBondContact O-CB 3.41Å; R532-L536 WeakPolarHBondContact O-CD1 3.43Å; R532-L536 VanDerWaalsContact O-CG 3.24Å; R532-L536 WeakPolarHBondContact O-CG 3.19Å; R532-L536 PolarHBondContact O-N 2.88Å
533L44.3Very low37.1Very low51 Ų5197.5 Ų97.527%0.26748%0.483SS..Hα-helixtrans-67.4-44178.1-166.770.4000111.5Y420 F437 Q530 F531 I535 L536 I537Y420-L533 HydrophobicContact CD1-CD1 4.41Å; Y420-L533 HydrophobicContact CD1-CD2 4.01Å; Y420-L533 HydrophobicContact CE1-CD1 3.94Å; Y420-L533 HydrophobicContact CE1-CD2 4.37Å; F437-L533 HydrophobicContact CE2-CD1 4.33Å; Q530-L533 PolarHBondContact O-N 3.01Å; F531-L533 VanDerWaalsContact C-N 3.31Å; F531-L533 PolarHBondContact O-N 3.09Å; L533-I535 VanDerWaalsContact C-N 3.34Å; L533-I535 PolarHBondContact O-N 3.34Å; L533-L536 PolarHBondContact O-N 3.12Å; L533-I537 HydrophobicContact CG-CD1 4.04Å; L533-I537 VanDerWaalsContact O-CG1 3.28Å; L533-I537 WeakPolarHBondContact O-CG1 3.33Å; L533-I537 PolarHBondContact O-N 3.39Å
534L46Very low37.6Very low54 Ų5491.1 Ų91.128%0.28347%0.465SS..Hα-helixtrans-62.5-40.4176.3-15884.7000112Q530 F531 I537 L538Q530-L534 PolarHBondContact O-N 3.33Å; F531-L534 PolarHBondContact O-N 3.3Å; L534-I537 PolarHBondContact O-N 3.22Å; L534-L538 HydrophobicContact CG-CD1 4.43Å; L534-L538 WeakPolarHBondContact O-CB 3.47Å; L534-L538 VanDerWaalsContact O-CG 3.27Å; L534-L538 WeakPolarHBondContact O-CG 3.29Å; L534-L538 PolarHBondContact O-N 3.01Å
535I46.3Very low38.3Very low49 Ų4989.6 Ų89.625%0.25145%0.451SS..Hα-helixtrans-64.8-41.2174.3-70.9166.8000110.8L517 V519 F531 R532 L533 L538 M539L517-I535 HydrophobicContact CD2-CD1 4.41Å; L517-I535 HydrophobicContact CD2-CG1 4.07Å; L517-I535 HydrophobicContact CD2-CG2 3.83Å; V519-I535 HydrophobicContact CG2-CD1 4.4Å; F531-I535 WeakPolarHBondContact O-CB 3.39Å; F531-I535 WeakPolarHBondContact O-CD1 3.45Å; F531-I535 VanDerWaalsContact O-CG1 3.24Å; F531-I535 WeakPolarHBondContact O-CG1 3.33Å; F531-I535 PolarHBondContact O-N 3.43Å; R532-I535 PolarHBondContact O-N 3.13Å; L533-I535 VanDerWaalsContact C-N 3.34Å; L533-I535 PolarHBondContact O-N 3.34Å; I535-L538 PolarHBondContact O-N 2.75Å; I535-M539 HydrophobicContact CG2-CG 4.14Å; I535-M539 VanDerWaalsContact O-CB 3.3Å; I535-M539 WeakPolarHBondContact O-CB 3.23Å; I535-M539 WeakPolarHBondContact O-CG 3.45Å; I535-M539 PolarHBondContact O-N 3.46Å
536L45.7Very low39Very low79 Ų7983.4 Ų83.441%0.41442%0.424SS..Hα-helixtrans-65.7-40.3176.5-75.3162.9000112.3F437 R532 L533 M539 S540F437-L536 HydrophobicContact CZ-CD1 4.01Å; R532-L536 WeakPolarHBondContact O-CB 3.41Å; R532-L536 WeakPolarHBondContact O-CD1 3.43Å; R532-L536 VanDerWaalsContact O-CG 3.24Å; R532-L536 WeakPolarHBondContact O-CG 3.19Å; R532-L536 PolarHBondContact O-N 2.88Å; L533-L536 PolarHBondContact O-N 3.12Å; L536-M539 PolarHBondContact O-N 2.99Å; L536-S540 WeakPolarHBondContact O-CB 3.35Å; L536-S540 PolarHBondContact O-N 3.12Å; L536-S540 PolarHBondContact O-OG 3.34Å; L536-S540 VanDerWaalsContact O-OG 3.09Å
537I46.9Very low39.7Very low45 Ų4584.3 Ų84.323%0.23142%0.424CS..Hα-helixtrans-63.6-42.6174.4-68.4162.5000110.9L533 L534 S540 A541L533-I537 HydrophobicContact CG-CD1 4.04Å; L533-I537 VanDerWaalsContact O-CG1 3.28Å; L533-I537 WeakPolarHBondContact O-CG1 3.33Å; L533-I537 PolarHBondContact O-N 3.39Å; L534-I537 PolarHBondContact O-N 3.22Å; I537-S540 WeakPolarHBondContact CA-OG 3.2Å; I537-S540 PolarHBondContact O-N 3.24Å; I537-S540 PolarHBondContact O-OG 2.93Å; I537-S540 VanDerWaalsContact O-OG 3.07Å; I537-A541 WeakPolarHBondContact O-CB 3.26Å; I537-A541 PolarHBondContact O-N 2.83Å
538L46.8Very low40.5Very low20 Ų2084.5 Ų84.511%0.10542%0.415CS..Hα-helixtrans-67.7-37.6175.4-71.6167.7000111.9L479 L534 I535 S540 A541 F542L479-L538 HydrophobicContact CD1-CD2 3.96Å; L479-L538 HydrophobicContact CD2-CD2 4.28Å; L534-L538 HydrophobicContact CG-CD1 4.43Å; L534-L538 WeakPolarHBondContact O-CB 3.47Å; L534-L538 VanDerWaalsContact O-CG 3.27Å; L534-L538 WeakPolarHBondContact O-CG 3.29Å; L534-L538 PolarHBondContact O-N 3.01Å; I535-L538 PolarHBondContact O-N 2.75Å; L538-S540 VanDerWaalsContact C-N 3.34Å; L538-A541 PolarHBondContact O-N 3.35Å; L538-F542 WeakPolarHBondContact O-CD2 3.41Å; L538-F542 VanDerWaalsContact O-CE2 3.29Å; L538-F542 WeakPolarHBondContact O-CE2 3.46Å
539M43.5Very low41.4Very low72 Ų7280.4 Ų80.436%0.35539%0.392SS..Hα-helixtrans-74.4-19.4176.5-70-72.8113.800113.6Y512 L517 I535 L536Y512-M539 HydrophobicContact CD2-CE 4.24Å; L517-M539 HydrophobicContact CB-CE 4Å; L517-M539 HydrophobicContact CD1-CE 3.94Å; L517-M539 HydrophobicContact CD2-CE 4.13Å; L517-M539 HydrophobicContact CG-CE 4.24Å; I535-M539 HydrophobicContact CG2-CG 4.14Å; I535-M539 VanDerWaalsContact O-CB 3.3Å; I535-M539 WeakPolarHBondContact O-CB 3.23Å; I535-M539 WeakPolarHBondContact O-CG 3.45Å; I535-M539 PolarHBondContact O-N 3.46Å; L536-M539 PolarHBondContact O-N 2.99Å
540S43.1Very low42.4Very low46 Ų4674.7 Ų74.732%0.32237%0.369SS..THydrogen-bonded Turntrans-91.3-4.3172.261.30000113.7L536 I537 L538L536-S540 WeakPolarHBondContact O-CB 3.35Å; L536-S540 PolarHBondContact O-N 3.12Å; L536-S540 PolarHBondContact O-OG 3.34Å; L536-S540 VanDerWaalsContact O-OG 3.09Å; I537-S540 WeakPolarHBondContact CA-OG 3.2Å; I537-S540 PolarHBondContact O-N 3.24Å; I537-S540 PolarHBondContact O-OG 2.93Å; I537-S540 VanDerWaalsContact O-OG 3.07Å; L538-S540 VanDerWaalsContact C-N 3.34Å
541A43.5Very low42.8Very low55 Ų5570 Ų7046%0.45535%0.349SS..  trans-100.33.8177.900000113.6M445 I537 L538M445-A541 HydrophobicContact CE-CB 3.91Å; I537-A541 WeakPolarHBondContact O-CB 3.26Å; I537-A541 PolarHBondContact O-N 2.83Å; L538-A541 PolarHBondContact O-N 3.35Å
542F36.7Very low43.6Very low137 Ų13771.4 Ų71.460%0.60136%0.359SS*.  trans-131.10175.8-58.5-57.6000111W498 L538W498-F542 HydrophobicContact CD2-CZ 4.27Å; W498-F542 AromaticContact CE2-CZ 3.49Å; W498-F542 VanDerWaalsContact CE2-CZ 3.49Å; W498-F542 AromaticContact CH2-CE1 3.58Å; W498-F542 HydrophobicContact CH2-CE1 3.58Å; W498-F542 AromaticContact CH2-CZ 3.4Å; W498-F542 HydrophobicContact CH2-CZ 3.4Å; W498-F542 VanDerWaalsContact CH2-CZ 3.4Å; W498-F542 AromaticContact CZ2-CE1 3.32Å; W498-F542 HydrophobicContact CZ2-CE1 3.32Å; W498-F542 HydrophobicContact CZ2-CE2 4.11Å; W498-F542 AromaticContact CZ2-CZ 3.07Å; W498-F542 HydrophobicContact CZ2-CZ 3.07Å; W498-F542 HydrophobicContact CZ3-CZ 4.09Å; W498-F542 AromaticContact NE1-CZ 3.99Å; L538-F542 WeakPolarHBondContact O-CD2 3.41Å; L538-F542 VanDerWaalsContact O-CE2 3.29Å; L538-F542 WeakPolarHBondContact O-CE2 3.46Å

Retrieved 542 of 542 residues in 258 ms (Link to these results)

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