A0A3Q0KP89_SCHMA Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A3Q0KP89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 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
1M58.2Low83.5Confident190 Ų190105 Ų10594%0.93657%0.572SS**  0-30.50-98.4-145.7-90.700112.5R3 L4 V5M1-R3 PolarHBondContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.17Å; M1-V5 PolarHBondContact O-N 3.17Å
2D74.8Confident84.3Confident125 Ų125103.8 Ų103.867%0.66857%0.571SS**Hα-helixtrans-53-45.6-172.4-52.7-18.2000114.9L4 V5 E6D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 2.82Å; D2-V5 PolarHBondContact O-N 3.13Å; D2-E6 WeakPolarHBondContact O-CB 3.35Å; D2-E6 VanDerWaalsContact O-CG 3.28Å; D2-E6 WeakPolarHBondContact O-CG 3.36Å; D2-E6 PolarHBondContact O-N 3.5Å
3R78.9Confident85.2Confident207 Ų207101.5 Ų101.578%0.78156%0.561SS**Hα-helixtrans-63.6-33.9-178.4-169.3177.2173.5-173-1.7114.4M1 S7M1-R3 PolarHBondContact O-N 3.13Å; R3-S7 WeakPolarHBondContact O-CB 3.4Å; R3-S7 PolarHBondContact O-N 2.81Å; R3-S7 PolarHBondContact O-OG 2.86Å
4L82.8Confident85.8Confident87 Ų87100.5 Ų100.546%0.45555%0.554SS.*Hα-helixtrans-71.8-44.4177.9-72.9176000110.4M1 D2 E6 S7 G8 I9M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.17Å; D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 2.82Å; L4-E6 VanDerWaalsContact C-N 3.34Å; L4-E6 PolarHBondContact O-N 2.84Å; L4-S7 CarbonylContact O-C 3.46Å; L4-S7 WeakPolarHBondContact O-CA 3.21Å; L4-S7 WeakPolarHBondContact O-CB 3.44Å; L4-S7 PolarHBondContact O-N 3.21Å; L4-G8 PolarHBondContact O-N 3.01Å; L4-I9 CarbonylContact C-O 3.48Å; L4-I9 HydrophobicContact CB-CB 4.26Å; L4-I9 HydrophobicContact CD2-CB 4.38Å; L4-I9 HydrophobicContact CD2-CD1 4.05Å; L4-I9 HydrophobicContact CD2-CG2 4.42Å; L4-I9 WeakPolarHBondContact O-CA 3.24Å; L4-I9 WeakPolarHBondContact O-CB 3.37Å; L4-I9 PolarHBondContact O-N 3.22Å
5V83.4Confident86.5Confident80 Ų8097.7 Ų97.749%0.48554%0.538SS..Hα-helixtrans-62.3-43177178.20000110.7M1 D2 S7 G8M1-V5 PolarHBondContact O-N 3.17Å; D2-V5 PolarHBondContact O-N 3.13Å; V5-S7 PolarHBondContact O-N 3.46Å; V5-G8 PolarHBondContact O-N 3.23Å
6E86.1Confident87.2Confident158 Ų15898.2 Ų98.274%0.73854%0.539SS*.Hα-helixtrans-60-29173.1-74.6172.2178.800112.9D2 L4 G8D2-E6 WeakPolarHBondContact O-CB 3.35Å; D2-E6 VanDerWaalsContact O-CG 3.28Å; D2-E6 WeakPolarHBondContact O-CG 3.36Å; D2-E6 PolarHBondContact O-N 3.5Å; L4-E6 VanDerWaalsContact C-N 3.34Å; L4-E6 PolarHBondContact O-N 2.84Å; E6-G8 VanDerWaalsContact C-N 3.28Å
7S89.1Confident87.8Confident82 Ų8296.1 Ų96.157%0.57354%0.538SS*.THydrogen-bonded Turntrans-86.25.6175.4-53.60000113.2R3 L4 V5 I9R3-S7 WeakPolarHBondContact O-CB 3.4Å; R3-S7 PolarHBondContact O-N 2.81Å; R3-S7 PolarHBondContact O-OG 2.86Å; L4-S7 CarbonylContact O-C 3.46Å; L4-S7 WeakPolarHBondContact O-CA 3.21Å; L4-S7 WeakPolarHBondContact O-CB 3.44Å; L4-S7 PolarHBondContact O-N 3.21Å; V5-S7 PolarHBondContact O-N 3.46Å; S7-I9 VanDerWaalsContact C-N 3.27Å; S7-I9 PolarHBondContact O-N 3.4Å
8G89.3Confident88.3Confident46 Ų4692.7 Ų92.747%0.47453%0.525SS..THydrogen-bonded Turntrans77.74.5-177.400000114.9L4 V5 E6 T10L4-G8 PolarHBondContact O-N 3.01Å; V5-G8 PolarHBondContact O-N 3.23Å; E6-G8 VanDerWaalsContact C-N 3.28Å; G8-T10 PolarHBondContact O-N 3.39Å; G8-T10 VanDerWaalsContact O-N 3.13Å
9I91Very high88.8Confident64 Ų6488.7 Ų88.733%0.32850%0.504SS..  trans-87.580.9177.9-55.4174.8000107.8L4 S7 L14L4-I9 CarbonylContact C-O 3.48Å; L4-I9 HydrophobicContact CB-CB 4.26Å; L4-I9 HydrophobicContact CD2-CB 4.38Å; L4-I9 HydrophobicContact CD2-CD1 4.05Å; L4-I9 HydrophobicContact CD2-CG2 4.42Å; L4-I9 WeakPolarHBondContact O-CA 3.24Å; L4-I9 WeakPolarHBondContact O-CB 3.37Å; L4-I9 PolarHBondContact O-N 3.22Å; S7-I9 VanDerWaalsContact C-N 3.27Å; S7-I9 PolarHBondContact O-N 3.4Å; I9-L14 HydrophobicContact CG2-CD1 3.97Å; I9-L14 HydrophobicContact CG2-CD2 3.59Å; I9-L14 HydrophobicContact CG2-CG 3.64Å
10T92.9Very high89.3Confident50 Ų5088.1 Ų88.131%0.30751%0.505SS..  trans-82.7164.7177.168.80000111.1G8 T12 V13 L14G8-T10 PolarHBondContact O-N 3.39Å; G8-T10 VanDerWaalsContact O-N 3.13Å; T10-T12 PolarHBondContact O-N 2.96Å; T10-V13 PolarHBondContact O-N 2.96Å; T10-V13 VanDerWaalsContact O-N 3.11Å; T10-V13 WeakPolarHBondContact OG1-CG2 3.45Å; T10-V13 PolarHBondContact OG1-N 2.65Å; T10-L14 PolarHBondContact O-N 3.02Å
11A91.9Very high89.7Confident66 Ų6690.4 Ų90.455%0.54551%0.51SS..Hα-helixtrans-55.6-39.6173.100000111.9V13 L14 N15A11-V13 PolarHBondContact O-N 3.44Å; A11-L14 PolarHBondContact O-N 3.07Å; A11-N15 VanDerWaalsContact O-CB 3.29Å; A11-N15 WeakPolarHBondContact O-CB 3.22Å; A11-N15 PolarHBondContact O-N 3.02Å; A11-N15 PolarHBondContact O-OD1 3.36Å
12T93.7Very high91.5Very high91 Ų9183.5 Ų83.556%0.55848%0.477SS*.Hα-helixtrans-59.8-46.4174.9-51.50000111.9T10 L14 N15 D16T10-T12 PolarHBondContact O-N 2.96Å; T12-L14 PolarHBondContact O-N 3.46Å; T12-N15 PolarHBondContact O-N 2.98Å; T12-D16 WeakPolarHBondContact O-CB 3.07Å; T12-D16 VanDerWaalsContact O-CG 3.26Å; T12-D16 PolarHBondContact O-N 3.01Å
13V94.9Very high92.5Very high74 Ų7478.7 Ų78.745%0.44845%0.454SS..Hα-helixtrans-63.4-42.5179.3171.80000111.3T10 A11 A17T10-V13 PolarHBondContact O-N 2.96Å; T10-V13 VanDerWaalsContact O-N 3.11Å; T10-V13 WeakPolarHBondContact OG1-CG2 3.45Å; T10-V13 PolarHBondContact OG1-N 2.65Å; A11-V13 PolarHBondContact O-N 3.44Å; V13-A17 WeakPolarHBondContact O-CB 3.11Å; V13-A17 PolarHBondContact O-N 2.74Å
14L94.9Very high93.4Very high87 Ų8772.2 Ų72.246%0.45544%0.438SS..Hα-helixtrans-64.2-44.4176.4-71.1173.3000111.6I9 T10 A11 T12 A17 A18I9-L14 HydrophobicContact CG2-CD1 3.97Å; I9-L14 HydrophobicContact CG2-CD2 3.59Å; I9-L14 HydrophobicContact CG2-CG 3.64Å; T10-L14 PolarHBondContact O-N 3.02Å; A11-L14 PolarHBondContact O-N 3.07Å; T12-L14 PolarHBondContact O-N 3.46Å; L14-A17 PolarHBondContact O-N 2.89Å; L14-A18 WeakPolarHBondContact O-CB 3.48Å; L14-A18 PolarHBondContact O-N 3.39Å
15N96.3Very high94Very high58 Ų5872 Ų7231%0.3144%0.436SS..Hα-helixtrans-64.2-44.6178.9-70.9-1.3000111.5A11 T12 A17 A18 A19 L53A11-N15 VanDerWaalsContact O-CB 3.29Å; A11-N15 WeakPolarHBondContact O-CB 3.22Å; A11-N15 PolarHBondContact O-N 3.02Å; A11-N15 PolarHBondContact O-OD1 3.36Å; T12-N15 PolarHBondContact O-N 2.98Å; N15-A17 VanDerWaalsContact C-N 3.33Å; N15-A17 PolarHBondContact O-N 3.19Å; N15-A18 PolarHBondContact O-N 3.29Å; N15-A19 VanDerWaalsContact O-CB 3.23Å; N15-A19 WeakPolarHBondContact O-CB 3.48Å; N15-A19 PolarHBondContact O-N 3.23Å; N15-L53 HydrophobicContact CB-CD2 3.64Å; N15-L53 VanDerWaalsContact O-CD2 3.31Å; N15-L53 WeakPolarHBondContact O-CD2 3.47Å
16D96.5Very high94.5Very high106 Ų10669.8 Ų69.857%0.56742%0.422SS*.Hα-helixtrans-62.2-41.7177.3-72.4-17.4000111.4T12 S20T12-D16 WeakPolarHBondContact O-CB 3.07Å; T12-D16 VanDerWaalsContact O-CG 3.26Å; T12-D16 PolarHBondContact O-N 3.01Å; D16-S20 VanDerWaalsContact O-CB 3.25Å; D16-S20 WeakPolarHBondContact O-CB 3.27Å; D16-S20 PolarHBondContact O-N 2.99Å
17A97.3Very high95Very high62 Ų6267.8 Ų67.851%0.51241%0.41SS..Hα-helixtrans-65.3-46.5176.700000112V13 L14 N15 S20 F21V13-A17 WeakPolarHBondContact O-CB 3.11Å; V13-A17 PolarHBondContact O-N 2.74Å; L14-A17 PolarHBondContact O-N 2.89Å; N15-A17 VanDerWaalsContact C-N 3.33Å; N15-A17 PolarHBondContact O-N 3.19Å; A17-S20 PolarHBondContact O-N 3.07Å; A17-F21 WeakPolarHBondContact O-CB 3.27Å; A17-F21 PolarHBondContact O-N 3.44Å
18A97.5Very high95.2Very high36 Ų3671 Ų7130%0.29842%0.417SS..Hα-helixtrans-63.2-47.2178.100000111.7L14 N15 S20 F21 I22 L53L14-A18 WeakPolarHBondContact O-CB 3.48Å; L14-A18 PolarHBondContact O-N 3.39Å; N15-A18 PolarHBondContact O-N 3.29Å; A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 2.89Å; A18-F21 PolarHBondContact O-N 2.86Å; A18-I22 WeakPolarHBondContact O-CG1 3.42Å; A18-I22 PolarHBondContact O-N 3.23Å; A18-L53 HydrophobicContact CB-CD1 4.06Å; A18-L53 HydrophobicContact CB-CD2 4.17Å
19A97.7Very high95.4Very high17 Ų1775.3 Ų75.314%0.1443%0.426CS..Hα-helixtrans-60.3-41.4176.900000111.6N15 A23 L53 F54N15-A19 VanDerWaalsContact O-CB 3.23Å; N15-A19 WeakPolarHBondContact O-CB 3.48Å; N15-A19 PolarHBondContact O-N 3.23Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 2.84Å; A19-L53 HydrophobicContact CB-CB 4.16Å; A19-L53 HydrophobicContact CB-CD2 4.35Å; A19-F54 HydrophobicContact CB-CE1 4.42Å; A19-F54 HydrophobicContact CB-CZ 4.47Å
20S97.8Very high95.3Very high75 Ų7574.1 Ų74.152%0.52443%0.43SS..Hα-helixtrans-64.8-44176.7-174.20000112.5D16 A17 A18 T24D16-S20 VanDerWaalsContact O-CB 3.25Å; D16-S20 WeakPolarHBondContact O-CB 3.27Å; D16-S20 PolarHBondContact O-N 2.99Å; A17-S20 PolarHBondContact O-N 3.07Å; A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 2.89Å; S20-T24 WeakPolarHBondContact O-CB 3.41Å; S20-T24 PolarHBondContact O-N 3.17Å; S20-T24 PolarHBondContact O-OG1 3.01Å
21F97.8Very high95.3Very high138 Ų13877.4 Ų77.461%0.60545%0.452SS*.Hα-helixtrans-60.1-54.3176176.6-97.4000111.3A17 A18 A23 T24 L25A17-F21 WeakPolarHBondContact O-CB 3.27Å; A17-F21 PolarHBondContact O-N 3.44Å; A18-F21 PolarHBondContact O-N 2.86Å; F21-A23 PolarHBondContact O-N 2.94Å; F21-T24 WeakPolarHBondContact O-CB 3.33Å; F21-T24 PolarHBondContact O-N 3.05Å; F21-L25 HydrophobicContact CD1-CD1 4.03Å; F21-L25 HydrophobicContact CE1-CD1 3.43Å; F21-L25 VanDerWaalsContact CE1-CD1 3.43Å; F21-L25 HydrophobicContact CE1-CG 4.3Å; F21-L25 HydrophobicContact CZ-CD1 3.74Å; F21-L25 HydrophobicContact CZ-CG 4.37Å; F21-L25 PolarHBondContact O-N 3.28Å
22I97Very high95.2Very high45 Ų4586 Ų8623%0.23147%0.47CS..Hα-helixtrans-62.1-45.1-179.7-64.6166.8000110.8A18 T24 L25 I26 L50 L53 F54A18-I22 WeakPolarHBondContact O-CG1 3.42Å; A18-I22 PolarHBondContact O-N 3.23Å; I22-T24 VanDerWaalsContact C-N 3.25Å; I22-T24 PolarHBondContact O-N 3.15Å; I22-L25 PolarHBondContact O-N 3.03Å; I22-I26 HydrophobicContact CG2-CD1 3.76Å; I22-I26 HydrophobicContact CG2-CG1 4.31Å; I22-I26 WeakPolarHBondContact O-CG1 3.28Å; I22-I26 PolarHBondContact O-N 3.12Å; I22-L50 HydrophobicContact CD1-CD2 4.34Å; I22-L53 HydrophobicContact CD1-CD1 3.91Å; I22-F54 HydrophobicContact CB-CE2 4.24Å; I22-F54 HydrophobicContact CB-CZ 3.88Å; I22-F54 HydrophobicContact CD1-CE2 4.41Å; I22-F54 HydrophobicContact CG2-CE2 3.78Å; I22-F54 HydrophobicContact CG2-CZ 3.65Å
23A95.9Very high95.2Very high24 Ų2484.1 Ų84.120%0.19846%0.463CS..Hα-helixtrans-61.9-34.3178.900000112.6A19 F21 K27 F54A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 2.84Å; F21-A23 PolarHBondContact O-N 2.94Å; A23-K27 WeakPolarHBondContact O-CB 3.33Å; A23-K27 WeakPolarHBondContact O-CD 3.48Å; A23-K27 WeakPolarHBondContact O-CG 3.43Å; A23-K27 PolarHBondContact O-N 3.24Å; A23-K27 VanDerWaalsContact O-N 3.13Å; A23-F54 HydrophobicContact CB-CE1 4.23Å
24T96.7Very high95.1Very high71 Ų7187.5 Ų87.544%0.43649%0.487SS..Hα-helixtrans-67.3-47.4175.1-58.90000110.4S20 F21 I22 I26 K27 E28S20-T24 WeakPolarHBondContact O-CB 3.41Å; S20-T24 PolarHBondContact O-N 3.17Å; S20-T24 PolarHBondContact O-OG1 3.01Å; F21-T24 WeakPolarHBondContact O-CB 3.33Å; F21-T24 PolarHBondContact O-N 3.05Å; I22-T24 VanDerWaalsContact C-N 3.25Å; I22-T24 PolarHBondContact O-N 3.15Å; T24-I26 PolarHBondContact O-N 3.3Å; T24-K27 PolarHBondContact O-N 2.78Å; T24-E28 HydrophobicContact CG2-CG 4.34Å; T24-E28 WeakPolarHBondContact O-CG 3.44Å; T24-E28 PolarHBondContact O-N 2.97Å
25L95.6Very high95Very high81 Ų8190 Ų9042%0.42449%0.49SS..Hα-helixtrans-55.8-51.3175.7-67.6179000111.6F21 I22 K27 E28 M29F21-L25 HydrophobicContact CD1-CD1 4.03Å; F21-L25 HydrophobicContact CE1-CD1 3.43Å; F21-L25 VanDerWaalsContact CE1-CD1 3.43Å; F21-L25 HydrophobicContact CE1-CG 4.3Å; F21-L25 HydrophobicContact CZ-CD1 3.74Å; F21-L25 HydrophobicContact CZ-CG 4.37Å; F21-L25 PolarHBondContact O-N 3.28Å; I22-L25 PolarHBondContact O-N 3.03Å; L25-K27 VanDerWaalsContact C-N 3.28Å; L25-K27 PolarHBondContact O-N 3.13Å; L25-E28 PolarHBondContact O-N 3.27Å; L25-E28 VanDerWaalsContact O-N 3.16Å; L25-M29 HydrophobicContact CB-SD 4.49Å; L25-M29 WeakPolarHBondContact O-CB 3.37Å; L25-M29 WeakPolarHBondContact O-CG 3.32Å; L25-M29 PolarHBondContact O-N 3.09Å
26I95.6Very high94.9Very high35 Ų3591.2 Ų91.218%0.17950%0.497CS..Hα-helixtrans-59.1-38.9-179.1-64.6173.4000111.7I22 T24 L36 H38I22-I26 HydrophobicContact CG2-CD1 3.76Å; I22-I26 HydrophobicContact CG2-CG1 4.31Å; I22-I26 WeakPolarHBondContact O-CG1 3.28Å; I22-I26 PolarHBondContact O-N 3.12Å; T24-I26 PolarHBondContact O-N 3.3Å; I26-L36 HydrophobicContact CG2-CB 3.8Å; I26-L36 HydrophobicContact CG2-CD1 4.22Å; I26-H38 HydrophobicContact CD1-CB 3.73Å; I26-H38 HydrophobicContact CG1-CB 3.86Å; I26-H38 HydrophobicContact CG2-CB 4.43Å
27K94.9Very high94.9Very high115 Ų11591.7 Ų91.750%0.551%0.507SS..Hα-helixtrans-67.3-38.4178.4-78.4169.4-174.8172.80113A23 T24 L25 L36A23-K27 WeakPolarHBondContact O-CB 3.33Å; A23-K27 WeakPolarHBondContact O-CD 3.48Å; A23-K27 WeakPolarHBondContact O-CG 3.43Å; A23-K27 PolarHBondContact O-N 3.24Å; A23-K27 VanDerWaalsContact O-N 3.13Å; T24-K27 PolarHBondContact O-N 2.78Å; L25-K27 VanDerWaalsContact C-N 3.28Å; L25-K27 PolarHBondContact O-N 3.13Å; K27-L36 HydrophobicContact CB-CD1 4.44Å; K27-L36 HydrophobicContact CG-CD1 3.46Å; K27-L36 VanDerWaalsContact CG-CD1 3.46Å
28E94.9Very high94.8Very high151 Ų15192.8 Ų92.871%0.70650%0.501SS*.Hα-helixtrans-91.1-18.1-172.8-60.2-55.9138.800113.3T24 L25 G30T24-E28 HydrophobicContact CG2-CG 4.34Å; T24-E28 WeakPolarHBondContact O-CG 3.44Å; T24-E28 PolarHBondContact O-N 2.97Å; L25-E28 PolarHBondContact O-N 3.27Å; L25-E28 VanDerWaalsContact O-N 3.16Å; E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.25Å
29M91.9Very high94.6Very high135 Ų135100.5 Ų100.567%0.66552%0.523SS*.SBendtrans-72.2-16.7179.4-78.3174.576.200114.6L25L25-M29 HydrophobicContact CB-SD 4.49Å; L25-M29 WeakPolarHBondContact O-CB 3.37Å; L25-M29 WeakPolarHBondContact O-CG 3.32Å; L25-M29 PolarHBondContact O-N 3.09Å
30G89.8Confident94.2Very high40 Ų40102.4 Ų102.441%0.41253%0.53SS..SBendtrans-145.3178.8-17000000114.1E28E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.25Å
31P91.9Very high93.8Very high118 Ų118102.7 Ų102.777%0.76653%0.529SS*.  trans-64.5149.3175.328.8-34.6000110.8A33P31-A33 PolarHBondContact O-N 3.26Å
32R91.1Very high93.4Very high247 Ų247100.3 Ų100.393%0.93252%0.52SS*.  trans-60.4127.9173-68.9-174.9177162.40.6110.1
33A93.3Very high93.3Very high51 Ų5199.7 Ų99.742%0.42152%0.519SS..  trans-141.5150.5176.300000110.8P31 R35P31-A33 PolarHBondContact O-N 3.26Å; A33-R35 WeakPolarHBondContact CB-O 3.19Å; A33-R35 PolarHBondContact O-N 3.29Å
34P91.9Very high93.2Very high145 Ų145100.3 Ų100.394%0.94252%0.518SS*.SBendtrans-62.2-26.1176.1-2333.7000113.6
35R93.1Very high93.1Very high140 Ų140100.4 Ų100.453%0.52852%0.515SS..SBendtrans-126.8127.4172.5-61.5-159.4-172.4-174.53.8108.6A33 L136 S137A33-R35 WeakPolarHBondContact CB-O 3.19Å; A33-R35 PolarHBondContact O-N 3.29Å; R35-L136 PolarHBondContact NH1-O 3.5Å; R35-S137 PolarHBondContact NH2-O 2.88Å
36L95.6Very high93.2Very high84 Ų84103.6 Ų103.644%0.4452%0.523SS..  trans-95.5150.5178.5-57.5174.6000109.3I26 K27I26-L36 HydrophobicContact CG2-CB 3.8Å; I26-L36 HydrophobicContact CG2-CD1 4.22Å; K27-L36 HydrophobicContact CB-CD1 4.44Å; K27-L36 HydrophobicContact CG-CD1 3.46Å; K27-L36 VanDerWaalsContact CG-CD1 3.46Å
37C95.4Very high93.3Very high116 Ų116101.9 Ų101.978%0.78451%0.514SS*.  trans-133.1143.4175.7179.90000107.7
38H95.1Very high93.4Very high84 Ų8499.8 Ų99.839%0.38951%0.506SS..  trans-128.3139.1169.9-175.964.1000108I26 D40I26-H38 HydrophobicContact CD1-CB 3.73Å; I26-H38 HydrophobicContact CG1-CB 3.86Å; I26-H38 HydrophobicContact CG2-CB 4.43Å; H38-D40 WeakPolarHBondContact NE2-CB 3.17Å
39R93.1Very high93.5Very high199 Ų19996.9 Ų96.975%0.75150%0.495SS*.  trans-130.8112.5179.1179.5-74.7-156.9-163.30.2107.1
40D90.7Very high93.8Very high57 Ų5791.8 Ų91.831%0.30547%0.471SS..  trans-150.8135.8175.7-178.868.1000106.8H38 S43H38-D40 WeakPolarHBondContact NE2-CB 3.17Å; D40-S43 WeakPolarHBondContact CB-OG 3.24Å; D40-S43 WeakPolarHBondContact OD2-CB 3.13Å; D40-S43 PolarHBondContact OD2-N 3.02Å; D40-S43 PolarHBondContact OD2-OG 3.08Å
41T87.8Confident94.2Very high81 Ų8191.3 Ų91.350%0.49746%0.459SS..SBendtrans-77.7-40.7-171.721.90000111F44T41-F44 PolarHBondContact O-N 3.16Å
42E89.8Confident94.5Very high87 Ų8790.5 Ų90.541%0.40745%0.447SS..G310 helixtrans-76.9-25.1-174.8-65.472.1-167.700111.7F44 D45E42-F44 PolarHBondContact O-N 2.9Å; E42-F44 VanDerWaalsContact O-N 3.14Å; E42-D45 VanDerWaalsContact O-CB 3.28Å; E42-D45 WeakPolarHBondContact O-CB 3.48Å; E42-D45 VanDerWaalsContact O-CG 3.24Å; E42-D45 PolarHBondContact O-N 3.42Å
43S94.2Very high94.8Very high32 Ų3280 Ų8022%0.22441%0.409CS..G310 helixtrans-58.9-24.7172.8-67.80000113.3D40 D45 Y46 L50D40-S43 WeakPolarHBondContact CB-OG 3.24Å; D40-S43 WeakPolarHBondContact OD2-CB 3.13Å; D40-S43 PolarHBondContact OD2-N 3.02Å; D40-S43 PolarHBondContact OD2-OG 3.08Å; S43-D45 PolarHBondContact O-N 3.47Å; S43-Y46 PolarHBondContact O-N 3.06Å; S43-L50 WeakPolarHBondContact O-CD1 3.1Å
44F95.7Very high95Very high37 Ų3780 Ų8016%0.16240%0.4CS..G310 helixtrans-72-15.1176.3-85-104.4000113.2T41 E42 Y46 L47 F59 I60 H61 I101T41-F44 PolarHBondContact O-N 3.16Å; E42-F44 PolarHBondContact O-N 2.9Å; E42-F44 VanDerWaalsContact O-N 3.14Å; F44-Y46 PolarHBondContact O-N 3.02Å; F44-Y46 VanDerWaalsContact O-N 3.11Å; F44-L47 HydrophobicContact CD1-CD1 3.83Å; F44-L47 HydrophobicContact CD1-CD2 3.99Å; F44-L47 HydrophobicContact CD1-CG 4.34Å; F44-L47 HydrophobicContact CE1-CD1 3.88Å; F44-L47 HydrophobicContact CE1-CD2 4.31Å; F44-L47 VanDerWaalsContact O-CB 3.27Å; F44-L47 WeakPolarHBondContact O-CB 3.29Å; F44-L47 PolarHBondContact O-N 3.46Å; F44-L47 VanDerWaalsContact O-N 3.16Å; F44-F59 HydrophobicContact CE1-CB 4.18Å; F44-F59 HydrophobicContact CZ-CB 4.3Å; F44-I60 VanDerWaalsContact CZ-O 3.32Å; F44-I60 WeakPolarHBondContact CZ-O 3.47Å; F44-H61 HydrophobicContact CD1-CB 4.31Å; F44-H61 HydrophobicContact CE1-CB 3.85Å; F44-I101 HydrophobicContact CB-CD1 3.8Å; F44-I101 HydrophobicContact CB-CG1 4.1Å; F44-I101 HydrophobicContact CB-CG2 4.11Å; F44-I101 HydrophobicContact CD1-CG2 3.67Å; F44-I101 HydrophobicContact CG-CG2 4.35Å
45D94.7Very high95.2Very high73 Ų7377.7 Ų77.739%0.3939%0.385SS..G310 helixtrans-64.8-14.3171.4-54.8-14.5000111.7E42 S43E42-D45 VanDerWaalsContact O-CB 3.28Å; E42-D45 WeakPolarHBondContact O-CB 3.48Å; E42-D45 VanDerWaalsContact O-CG 3.24Å; E42-D45 PolarHBondContact O-N 3.42Å; S43-D45 PolarHBondContact O-N 3.47Å
46Y96.9Very high95.3Very high148 Ų14880.7 Ų80.758%0.5840%0.402SS*.G310 helixtrans-119.230.9178.9-54.6-79.5000111.6S43 F44 E48 D49 L50S43-Y46 PolarHBondContact O-N 3.06Å; F44-Y46 PolarHBondContact O-N 3.02Å; F44-Y46 VanDerWaalsContact O-N 3.11Å; Y46-E48 PolarHBondContact O-N 3Å; Y46-D49 PolarHBondContact O-N 2.72Å; Y46-L50 WeakPolarHBondContact O-CG 3.32Å; Y46-L50 PolarHBondContact O-N 2.77Å
47L97.6Very high95.4Very high0 Ų077.6 Ų77.60%039%0.39CS..Hα-helixtrans-60.8-40.6-169.3-175.961.7000112.7F44 L50 N51 F59 I101 D104 C105 I108F44-L47 HydrophobicContact CD1-CD1 3.83Å; F44-L47 HydrophobicContact CD1-CD2 3.99Å; F44-L47 HydrophobicContact CD1-CG 4.34Å; F44-L47 HydrophobicContact CE1-CD1 3.88Å; F44-L47 HydrophobicContact CE1-CD2 4.31Å; F44-L47 VanDerWaalsContact O-CB 3.27Å; F44-L47 WeakPolarHBondContact O-CB 3.29Å; F44-L47 PolarHBondContact O-N 3.46Å; F44-L47 VanDerWaalsContact O-N 3.16Å; L47-L50 PolarHBondContact O-N 3.37Å; L47-N51 WeakPolarHBondContact O-CB 3.36Å; L47-N51 PolarHBondContact O-N 2.95Å; L47-F59 HydrophobicContact CD1-CB 3.72Å; L47-F59 HydrophobicContact CD1-CD1 3.37Å; L47-F59 HydrophobicContact CD1-CD2 3.97Å; L47-F59 HydrophobicContact CD1-CE1 3.94Å; L47-F59 HydrophobicContact CD1-CE2 4.47Å; L47-F59 HydrophobicContact CD1-CG 3.4Å; L47-F59 HydrophobicContact CD1-CZ 4.46Å; L47-I101 HydrophobicContact CD2-CG2 4.13Å; L47-D104 HydrophobicContact CB-CB 3.99Å; L47-D104 HydrophobicContact CD2-CB 3.82Å; L47-D104 HydrophobicContact CG-CB 4.22Å; L47-C105 HydrophobicContact CD2-CB 4.16Å; L47-I108 HydrophobicContact CB-CD1 4.45Å; L47-I108 HydrophobicContact CD1-CD1 4.23Å; L47-I108 HydrophobicContact CD2-CD1 3.98Å; L47-I108 HydrophobicContact CG-CD1 3.51Å
48E97.4Very high95.5Very high70 Ų7076.2 Ų76.233%0.32737%0.371SS..Hα-helixtrans-63.8-44.1174.7-66.8-164.8173.900112.9Y46 N51 I52 D104 Y107Y46-E48 PolarHBondContact O-N 3Å; E48-N51 WeakPolarHBondContact O-CB 3.45Å; E48-N51 PolarHBondContact O-N 3.47Å; E48-N51 VanDerWaalsContact O-N 3.16Å; E48-I52 PolarHBondContact O-N 3.29Å; E48-I52 VanDerWaalsContact O-N 3.11Å; E48-D104 HydrophobicContact CG-CB 4.1Å; E48-Y107 HydrophobicContact CG-CD1 3.9Å; E48-Y107 HydrophobicContact CG-CE1 4.28Å; E48-Y107 WeakPolarHBondContact OE1-CD1 3.47Å
49D97.2Very high95.7Very high90 Ų9073.2 Ų73.248%0.48136%0.357SS..Hα-helixtrans-61.8-46.3176.4-73.8-41.5000110.4Y46 N51 I52 L53Y46-D49 PolarHBondContact O-N 2.72Å; D49-N51 PolarHBondContact O-N 2.9Å; D49-I52 WeakPolarHBondContact O-CA 3.44Å; D49-I52 WeakPolarHBondContact O-CB 3.5Å; D49-I52 PolarHBondContact O-N 3.18Å; D49-L53 VanDerWaalsContact O-CG 3.3Å; D49-L53 WeakPolarHBondContact O-CG 3.16Å; D49-L53 PolarHBondContact O-N 3.44Å
50L97.7Very high95.9Very high28 Ų2866.1 Ų66.115%0.14733%0.333CS..Hα-helixtrans-59.1-36.1175.8-71.2174.7000112.1I22 S43 Y46 L47 I52 L53 F54 F59I22-L50 HydrophobicContact CD1-CD2 4.34Å; S43-L50 WeakPolarHBondContact O-CD1 3.1Å; Y46-L50 WeakPolarHBondContact O-CG 3.32Å; Y46-L50 PolarHBondContact O-N 2.77Å; L47-L50 PolarHBondContact O-N 3.37Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.39Å; L50-L53 PolarHBondContact O-N 3.06Å; L50-F54 HydrophobicContact CD2-CD2 4.32Å; L50-F54 HydrophobicContact CD2-CE2 4.17Å; L50-F54 WeakPolarHBondContact O-CB 3.47Å; L50-F54 PolarHBondContact O-N 2.78Å; L50-F59 HydrophobicContact CB-CE1 3.71Å; L50-F59 HydrophobicContact CB-CZ 3.87Å; L50-F59 HydrophobicContact CD1-CE1 4.34Å
51N97.8Very high96.3Very high31 Ų3164 Ų6417%0.16632%0.322CS..Hα-helixtrans-64.9-34.6175.7176.664.4000112.7L47 E48 D49 F54 F59 I108 K112L47-N51 WeakPolarHBondContact O-CB 3.36Å; L47-N51 PolarHBondContact O-N 2.95Å; E48-N51 WeakPolarHBondContact O-CB 3.45Å; E48-N51 PolarHBondContact O-N 3.47Å; E48-N51 VanDerWaalsContact O-N 3.16Å; D49-N51 PolarHBondContact O-N 2.9Å; N51-F54 CarbonylContact O-C 3.49Å; N51-F59 HydrophobicContact CB-CE2 3.92Å; N51-F59 HydrophobicContact CB-CZ 4.28Å; N51-I108 HydrophobicContact CB-CD1 3.69Å; N51-I108 HydrophobicContact CB-CG1 3.84Å; N51-I108 HydrophobicContact CB-CG2 4.5Å; N51-K112 PolarHBondContact O-NZ 3.48Å; N51-K112 WeakPolarHBondContact OD1-CE 3.31Å; N51-K112 PolarHBondContact OD1-NZ 3.37Å
52I97.5Very high96.7Very high100 Ų10064.1 Ų64.151%0.51332%0.318SS..Hα-helixtrans-70.7-48.1172.6-65.9164.5000110.6E48 D49 L50 F54E48-I52 PolarHBondContact O-N 3.29Å; E48-I52 VanDerWaalsContact O-N 3.11Å; D49-I52 WeakPolarHBondContact O-CA 3.44Å; D49-I52 WeakPolarHBondContact O-CB 3.5Å; D49-I52 PolarHBondContact O-N 3.18Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.39Å; I52-F54 VanDerWaalsContact C-N 3.31Å; I52-F54 PolarHBondContact O-N 3.49Å
53L97.8Very high97.1Very high26 Ų2660.1 Ų60.114%0.13630%0.3CS..Hα-helixtrans-64.6-35-178.6-63.4-176.8000112.4N15 A18 A19 I22 D49 L50 P55N15-L53 HydrophobicContact CB-CD2 3.64Å; N15-L53 VanDerWaalsContact O-CD2 3.31Å; N15-L53 WeakPolarHBondContact O-CD2 3.47Å; A18-L53 HydrophobicContact CB-CD1 4.06Å; A18-L53 HydrophobicContact CB-CD2 4.17Å; A19-L53 HydrophobicContact CB-CB 4.16Å; A19-L53 HydrophobicContact CB-CD2 4.35Å; I22-L53 HydrophobicContact CD1-CD1 3.91Å; D49-L53 VanDerWaalsContact O-CG 3.3Å; D49-L53 WeakPolarHBondContact O-CG 3.16Å; D49-L53 PolarHBondContact O-N 3.44Å; L50-L53 PolarHBondContact O-N 3.06Å; L53-P55 WeakPolarHBondContact O-CD 3.42Å
54F97.5Very high97.2Very high52 Ų5260.9 Ų60.923%0.22830%0.298CS..  trans-122.379.8-178.7-58.8-70.6000110.7A19 I22 A23 L50 N51 I52 K56 G57 K112A19-F54 HydrophobicContact CB-CE1 4.42Å; A19-F54 HydrophobicContact CB-CZ 4.47Å; I22-F54 HydrophobicContact CB-CE2 4.24Å; I22-F54 HydrophobicContact CB-CZ 3.88Å; I22-F54 HydrophobicContact CD1-CE2 4.41Å; I22-F54 HydrophobicContact CG2-CE2 3.78Å; I22-F54 HydrophobicContact CG2-CZ 3.65Å; A23-F54 HydrophobicContact CB-CE1 4.23Å; L50-F54 HydrophobicContact CD2-CD2 4.32Å; L50-F54 HydrophobicContact CD2-CE2 4.17Å; L50-F54 WeakPolarHBondContact O-CB 3.47Å; L50-F54 PolarHBondContact O-N 2.78Å; N51-F54 CarbonylContact O-C 3.49Å; I52-F54 VanDerWaalsContact C-N 3.31Å; I52-F54 PolarHBondContact O-N 3.49Å; F54-K56 PolarHBondContact O-N 3.1Å; F54-G57 WeakPolarHBondContact O-CA 3.21Å; F54-G57 PolarHBondContact O-N 2.03Å; F54-K112 PolarHBondContact O-NZ 3.12Å
55P96.3Very high97.3Very high96 Ų9659.1 Ų59.162%0.62329%0.29SS*.THydrogen-bonded Turntrans-63.4-19.1-175.823-34000113.9L53 K112L53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-K112 VanDerWaalsContact O-CE 3.28Å; P55-K112 WeakPolarHBondContact O-CE 3.4Å; P55-K112 PolarHBondContact O-NZ 2.88Å
56K96.3Very high97.4Very high203 Ų20355.6 Ų55.688%0.88327%0.271SS*.THydrogen-bonded Turntrans-1030.8172.6-61.6-177.8-178.71780113.8F54F54-K56 PolarHBondContact O-N 3.1Å
57G97Very high97.4Very high20 Ų2048.6 Ų48.621%0.20624%0.244CC..  trans-64149.6176.700000111.3F54 K112F54-G57 WeakPolarHBondContact O-CA 3.21Å; F54-G57 PolarHBondContact O-N 2.03Å; G57-K112 WeakPolarHBondContact O-CE 3.3Å
58K98.3Very high97.3Very high86 Ų8648.7 Ų48.737%0.37425%0.245SC..  trans-125.2139171.4-71.5-168.4170-171.60108.6E111 K112 F135 L136K58-E111 WeakPolarHBondContact CE-O 3.4Å; K58-K112 CarbonylContact C-O 3.53Å; K58-K112 WeakPolarHBondContact CA-O 3.26Å; K58-F135 HydrophobicContact CB-CE1 3.85Å; K58-F135 HydrophobicContact CB-CZ 3.87Å; K58-F135 HydrophobicContact CD-CE1 4.12Å; K58-F135 HydrophobicContact CD-CE2 4.39Å; K58-F135 HydrophobicContact CD-CZ 4.03Å; K58-F135 HydrophobicContact CG-CE1 4.43Å; K58-F135 HydrophobicContact CG-CZ 4.17Å; K58-F135 PolarHBondContact NZ-O 3.37Å; K58-L136 HydrophobicContact CB-CD2 3.96Å; K58-L136 HydrophobicContact CD-CD2 4.1Å
59F98.4Very high97.2Very high21 Ų2146.4 Ų46.49%0.09224%0.235CC..EExtended strand (participates in β ladder)trans-116.9134.3-173.4-53.4-80.9000109.5F44 L47 L50 N51 K112 C113 L114F44-F59 HydrophobicContact CE1-CB 4.18Å; F44-F59 HydrophobicContact CZ-CB 4.3Å; L47-F59 HydrophobicContact CD1-CB 3.72Å; L47-F59 HydrophobicContact CD1-CD1 3.37Å; L47-F59 HydrophobicContact CD1-CD2 3.97Å; L47-F59 HydrophobicContact CD1-CE1 3.94Å; L47-F59 HydrophobicContact CD1-CE2 4.47Å; L47-F59 HydrophobicContact CD1-CG 3.4Å; L47-F59 HydrophobicContact CD1-CZ 4.46Å; L50-F59 HydrophobicContact CB-CE1 3.71Å; L50-F59 HydrophobicContact CB-CZ 3.87Å; L50-F59 HydrophobicContact CD1-CE1 4.34Å; N51-F59 HydrophobicContact CB-CE2 3.92Å; N51-F59 HydrophobicContact CB-CZ 4.28Å; F59-K112 PolarHBondContact N-O 3.09Å; F59-C113 HydrophobicContact CB-CB 4.42Å; F59-C113 WeakPolarHBondContact O-CA 3.24Å; F59-L114 PolarHBondContact O-N 2.96Å
60I98.2Very high97Very high50 Ų5042.1 Ų42.126%0.25621%0.212SC..EExtended strand (participates in β ladder)trans-119.4102.8175.8-61167.2000106.9F44 I62 L114 L116 V132 F135 L136F44-I60 VanDerWaalsContact CZ-O 3.32Å; F44-I60 WeakPolarHBondContact CZ-O 3.47Å; I60-I62 HydrophobicContact CG2-CD1 3.83Å; I60-L114 CarbonylContact C-O 3.48Å; I60-L114 WeakPolarHBondContact CA-O 3.32Å; I60-L116 HydrophobicContact CG2-CD1 3.63Å; I60-L116 HydrophobicContact CG2-CG 4.34Å; I60-V132 HydrophobicContact CD1-CG1 3.61Å; I60-F135 HydrophobicContact CG1-CD1 4.23Å; I60-F135 HydrophobicContact CG1-CE1 3.9Å; I60-L136 HydrophobicContact CD1-CD1 4.04Å; I60-L136 HydrophobicContact CD1-CD2 4.22Å; I60-L136 HydrophobicContact CD1-CG 4.29Å
61H97.5Very high96.9Very high14 Ų1441.2 Ų41.27%0.06521%0.209CC..EExtended strand (participates in β ladder)trans-85.9115.7177.2177.4-157.5000109.1F44 V63 I101 L114 T115 L116F44-H61 HydrophobicContact CD1-CB 4.31Å; F44-H61 HydrophobicContact CE1-CB 3.85Å; H61-V63 WeakPolarHBondContact CE1-CG1 3.38Å; H61-I101 HydrophobicContact CB-CG2 4.38Å; H61-I101 WeakPolarHBondContact CE1-CG2 3.25Å; H61-I101 WeakPolarHBondContact ND1-CG2 3.33Å; H61-L114 PolarHBondContact N-O 2.88Å; H61-T115 CarbonylContact O-C 3.47Å; H61-T115 VanDerWaalsContact O-CA 3.31Å; H61-T115 WeakPolarHBondContact O-CA 3.37Å; H61-L116 PolarHBondContact O-N 3.29Å
62I97.1Very high96.7Very high82 Ų8241 Ų4142%0.42121%0.211SC..EExtended strand (participates in β ladder)trans-91.9111.6173.5-55.3-56.3000109.1I60 L116I60-I62 HydrophobicContact CG2-CD1 3.83Å; I62-L116 CarbonylContact C-O 3.54Å; I62-L116 WeakPolarHBondContact CA-O 3.08Å; I62-L116 HydrophobicContact CD1-CB 3.79Å; I62-L116 HydrophobicContact CD1-CD1 4.07Å
63V97.5Very high96.4Very high4 Ų438.5 Ų38.52%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-93150.4169-65.20000110.3H61 T98 L102 T115 L116 R117 Y118 L191H61-V63 WeakPolarHBondContact CE1-CG1 3.38Å; V63-T98 HydrophobicContact CG1-CG2 4.29Å; V63-L102 HydrophobicContact CG1-CD2 4.22Å; V63-T115 HydrophobicContact CB-CG2 4.38Å; V63-T115 HydrophobicContact CG1-CG2 3.73Å; V63-T115 HydrophobicContact CG2-CG2 3.77Å; V63-L116 WeakPolarHBondContact CG2-O 3.26Å; V63-L116 PolarHBondContact N-O 3.33Å; V63-R117 HydrophobicContact CG2-CB 4.4Å; V63-R117 HydrophobicContact CG2-CG 3.75Å; V63-R117 CarbonylContact O-C 3.55Å; V63-R117 WeakPolarHBondContact O-CA 3.17Å; V63-Y118 PolarHBondContact O-N 2.93Å; V63-L191 HydrophobicContact CB-CD1 4.03Å; V63-L191 HydrophobicContact CB-CD2 4.43Å; V63-L191 HydrophobicContact CG1-CD1 4.17Å; V63-L191 HydrophobicContact CG1-CD2 4.37Å; V63-L191 HydrophobicContact CG2-CD1 4.39Å; V63-L191 HydrophobicContact CG2-CD2 4.04Å
64R97.7Very high96.1Very high47 Ų4738 Ų3818%0.17719%0.193CC..  trans-141.8155.2176.6-174.7178.7-175.7-159.8-2.1108.1G66 A68 W94 Y118 E119 S162R64-G66 PolarHBondContact O-N 3.43Å; R64-G66 VanDerWaalsContact O-N 3.1Å; R64-A68 HydrophobicContact CG-CB 4.34Å; R64-W94 WeakPolarHBondContact O-CZ2 3.12Å; R64-Y118 HydrophobicContact CB-CG 4.47Å; R64-Y118 HydrophobicContact CG-CD1 3.74Å; R64-Y118 HydrophobicContact CG-CG 4.05Å; R64-E119 WeakPolarHBondContact CG-OE1 3.23Å; R64-S162 PolarHBondContact NH2-O 3.46Å
65D97.5Very high95.7Very high0 Ų039 Ų390%021%0.211CC..  trans-48.5120.9169.7-169.2-37.2000109.5R67 A68 T69 E119 Y193 Y202D65-R67 PolarHBondContact O-N 3.33Å; D65-R67 WeakPolarHBondContact OD1-CB 3.4Å; D65-R67 IonicContact OD1-CZ 2.92Å; D65-R67 PolarHBondContact OD1-N 3.06Å; D65-R67 IonicContact OD1-NE 3.86Å; D65-R67 PolarHBondContact OD1-NE 3.22Å; D65-R67 IonicContact OD1-NH2 3.62Å; D65-R67 PolarHBondContact OD1-NH2 3.02Å; D65-R67 IonicContact OD2-CZ 3.46Å; D65-R67 IonicContact OD2-NE 3.45Å; D65-R67 PolarHBondContact OD2-NE 3.02Å; D65-R67 IonicContact OD2-NH2 3.53Å; D65-R67 PolarHBondContact OD2-NH2 3.43Å; D65-A68 HydrophobicContact CB-CB 4.19Å; D65-A68 WeakPolarHBondContact O-CA 2.99Å; D65-A68 WeakPolarHBondContact O-CB 3.03Å; D65-A68 PolarHBondContact O-N 3.32Å; D65-T69 PolarHBondContact O-N 3.15Å; D65-T69 PolarHBondContact O-OG1 3.36Å; D65-E119 PolarHBondContact N-OE1 3.49Å; D65-Y193 HydrophobicContact CB-CD1 4.27Å; D65-Y193 HydrophobicContact CB-CE1 4.32Å; D65-Y193 HydrophobicContact CB-CG 4.47Å; D65-Y202 HydrophobicContact CB-CE1 4.03Å; D65-Y202 WeakPolarHBondContact OD2-CE1 3.4Å; D65-Y202 PolarHBondContact OD2-OH 3.3Å
66G96.6Very high95.3Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-61.5-29.6-174.800000112.8R64 T69 V70R64-G66 PolarHBondContact O-N 3.43Å; R64-G66 VanDerWaalsContact O-N 3.1Å; G66-T69 PolarHBondContact O-N 3.4Å; G66-V70 WeakPolarHBondContact O-CB 3.15Å; G66-V70 VanDerWaalsContact O-CG2 3.31Å; G66-V70 WeakPolarHBondContact O-CG2 3.4Å; G66-V70 PolarHBondContact O-N 3.49Å
67R95.7Very high94.9Very high0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-63.7-44.7174.5-62.4164.6-67.7-156.81.7110.2D65 T69 A71 W166 L173 M181 N182 Y193 P200D65-R67 PolarHBondContact O-N 3.33Å; D65-R67 WeakPolarHBondContact OD1-CB 3.4Å; D65-R67 IonicContact OD1-CZ 2.92Å; D65-R67 PolarHBondContact OD1-N 3.06Å; D65-R67 IonicContact OD1-NE 3.86Å; D65-R67 PolarHBondContact OD1-NE 3.22Å; D65-R67 IonicContact OD1-NH2 3.62Å; D65-R67 PolarHBondContact OD1-NH2 3.02Å; D65-R67 IonicContact OD2-CZ 3.46Å; D65-R67 IonicContact OD2-NE 3.45Å; D65-R67 PolarHBondContact OD2-NE 3.02Å; D65-R67 IonicContact OD2-NH2 3.53Å; D65-R67 PolarHBondContact OD2-NH2 3.43Å; R67-T69 VanDerWaalsContact C-N 3.31Å; R67-T69 PolarHBondContact O-N 2.82Å; R67-A71 VanDerWaalsContact O-CB 3.24Å; R67-A71 WeakPolarHBondContact O-CB 3.37Å; R67-A71 PolarHBondContact O-N 3.34Å; R67-A71 VanDerWaalsContact O-N 3.08Å; R67-W166 HydrophobicContact CB-CD2 3.68Å; R67-W166 HydrophobicContact CB-CE3 3.54Å; R67-W166 HydrophobicContact CB-CG 4.36Å; R67-W166 HydrophobicContact CB-CH2 3.98Å; R67-W166 HydrophobicContact CB-CZ2 4.1Å; R67-W166 HydrophobicContact CB-CZ3 3.72Å; R67-W166 VanDerWaalsContact CD-CH2 3.41Å; R67-W166 HydrophobicContact CG-CE3 4.38Å; R67-W166 HydrophobicContact CG-CH2 4.27Å; R67-W166 HydrophobicContact CG-CZ3 4.1Å; R67-W166 VanDerWaalsContact NE-CH2 3.26Å; R67-L173 HydrophobicContact CB-CD1 3.84Å; R67-L173 HydrophobicContact CG-CD1 4.49Å; R67-L173 WeakPolarHBondContact O-CD1 3.27Å; R67-M181 HydrophobicContact CB-SD 4.2Å; R67-M181 HydrophobicContact CG-CG 4.25Å; R67-M181 HydrophobicContact CG-SD 3.34Å; R67-M181 WeakPolarHBondContact CG-SD 3.4Å; R67-N182 PolarHBondContact NH1-OD1 2.97Å; R67-Y193 PolarHBondContact NH2-O 3.3Å; R67-P200 VanDerWaalsContact NH2-CD 3.31Å
68A95.8Very high94.1Very high2 Ų242.9 Ų42.92%0.01722%0.217CC..Hα-helixtrans-64.6-35.7174.600000112.6R64 D65 S72 W166R64-A68 HydrophobicContact CG-CB 4.34Å; D65-A68 HydrophobicContact CB-CB 4.19Å; D65-A68 WeakPolarHBondContact O-CA 2.99Å; D65-A68 WeakPolarHBondContact O-CB 3.03Å; D65-A68 PolarHBondContact O-N 3.32Å; A68-S72 WeakPolarHBondContact O-CB 3.21Å; A68-S72 PolarHBondContact O-N 3.08Å; A68-S72 VanDerWaalsContact O-N 3.09Å; A68-W166 HydrophobicContact CB-CG 4.07Å
69T95.2Very high93.1Very high22 Ų2240.4 Ų40.414%0.13521%0.209CC..Hα-helixtrans-70.9-51.7-179.3-58.70000111.8D65 G66 R67 S72 K73D65-T69 PolarHBondContact O-N 3.15Å; D65-T69 PolarHBondContact O-OG1 3.36Å; G66-T69 PolarHBondContact O-N 3.4Å; R67-T69 VanDerWaalsContact C-N 3.31Å; R67-T69 PolarHBondContact O-N 2.82Å; T69-S72 PolarHBondContact O-N 3.11Å; T69-K73 HydrophobicContact CG2-CD 4.33Å; T69-K73 PolarHBondContact O-N 3.23Å
70V94.8Very high92.2Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-59.5-51.5178.3171.30000110.2G66 S72 K73 I74 Y82 I87 A90 I91 W94 L173G66-V70 WeakPolarHBondContact O-CB 3.15Å; G66-V70 VanDerWaalsContact O-CG2 3.31Å; G66-V70 WeakPolarHBondContact O-CG2 3.4Å; G66-V70 PolarHBondContact O-N 3.49Å; V70-S72 VanDerWaalsContact C-N 3.27Å; V70-S72 PolarHBondContact O-N 3.3Å; V70-K73 PolarHBondContact O-N 2.77Å; V70-I74 HydrophobicContact CG1-CD1 3.6Å; V70-I74 HydrophobicContact CG1-CG1 4.44Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.03Å; V70-Y82 HydrophobicContact CG2-CE1 4.14Å; V70-I87 HydrophobicContact CG1-CG2 4.31Å; V70-A90 HydrophobicContact CG1-CB 4.05Å; V70-I91 HydrophobicContact CG1-CG1 4.18Å; V70-I91 HydrophobicContact CG2-CG1 4.13Å; V70-W94 HydrophobicContact CG2-CB 4.04Å; V70-W94 HydrophobicContact CG2-CG 4.39Å; V70-L173 HydrophobicContact CG1-CD2 4.24Å
71A93.9Very high91.4Very high10 Ų1045.6 Ų45.68%0.08325%0.245CC..Hα-helixtrans-56-43.5177.500000111.7R67 A75 W166 L173R67-A71 VanDerWaalsContact O-CB 3.24Å; R67-A71 WeakPolarHBondContact O-CB 3.37Å; R67-A71 PolarHBondContact O-N 3.34Å; R67-A71 VanDerWaalsContact O-N 3.08Å; A71-A75 WeakPolarHBondContact O-CB 3.39Å; A71-A75 PolarHBondContact O-N 3.19Å; A71-W166 HydrophobicContact CB-CB 3.8Å; A71-L173 HydrophobicContact CB-CD1 3.91Å; A71-L173 HydrophobicContact CB-CG 4.06Å
72S93.3Very high90.8Very high27 Ų2745 Ų4519%0.18924%0.242CC..Hα-helixtrans-69.1-39179.5-176.20000113.4A68 T69 V70 R76A68-S72 WeakPolarHBondContact O-CB 3.21Å; A68-S72 PolarHBondContact O-N 3.08Å; A68-S72 VanDerWaalsContact O-N 3.09Å; T69-S72 PolarHBondContact O-N 3.11Å; V70-S72 VanDerWaalsContact C-N 3.27Å; V70-S72 PolarHBondContact O-N 3.3Å; S72-R76 VanDerWaalsContact O-CB 3.32Å; S72-R76 WeakPolarHBondContact O-CB 3.34Å; S72-R76 WeakPolarHBondContact O-CG 3.31Å; S72-R76 PolarHBondContact O-N 2.86Å
73K92.1Very high90.2Very high47 Ų4743.1 Ų43.120%0.20424%0.235CC..Hα-helixtrans-67.2-42.8179.4-82.1-176.4174.5-176.50110.7T69 V70 N77 I78 Y82T69-K73 HydrophobicContact CG2-CD 4.33Å; T69-K73 PolarHBondContact O-N 3.23Å; V70-K73 PolarHBondContact O-N 2.77Å; K73-N77 PolarHBondContact O-N 3.17Å; K73-N77 VanDerWaalsContact O-N 3.13Å; K73-I78 PolarHBondContact O-N 3.41Å; K73-I78 VanDerWaalsContact O-N 3.08Å; K73-Y82 HydrophobicContact CB-CD1 3.55Å; K73-Y82 HydrophobicContact CB-CE1 4.23Å; K73-Y82 HydrophobicContact CB-CG 3.91Å; K73-Y82 HydrophobicContact CD-CD1 3.55Å; K73-Y82 HydrophobicContact CD-CD2 4.18Å; K73-Y82 HydrophobicContact CD-CE1 3.39Å; K73-Y82 HydrophobicContact CD-CE2 4.05Å; K73-Y82 HydrophobicContact CD-CG 3.96Å; K73-Y82 HydrophobicContact CG-CD1 4.19Å; K73-Y82 HydrophobicContact CG-CE1 4.41Å; K73-Y82 PolarHBondContact NZ-OH 3.22Å
74I91.5Very high89.5Confident14 Ų1446.5 Ų46.57%0.07226%0.259CS..Hα-helixtrans-66.2-53.6177.1-61.3164.7000110.5V70 R76 N77 I87 L172V70-I74 HydrophobicContact CG1-CD1 3.6Å; V70-I74 HydrophobicContact CG1-CG1 4.44Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.03Å; I74-R76 PolarHBondContact O-N 2.83Å; I74-R76 VanDerWaalsContact O-N 3.12Å; I74-N77 PolarHBondContact O-N 2.9Å; I74-I87 HydrophobicContact CD1-CB 4.35Å; I74-I87 HydrophobicContact CD1-CD1 4.25Å; I74-I87 HydrophobicContact CD1-CG1 3.85Å; I74-I87 HydrophobicContact CD1-CG2 4.19Å; I74-L172 HydrophobicContact CB-CD1 4.22Å; I74-L172 HydrophobicContact CG2-CD1 3.6Å
75A89.8Confident89.1Confident74 Ų7452.9 Ų52.961%0.61229%0.291SS*.Hα-helixtrans-61.1-27.8-175.500000113.4A71 L172A71-A75 WeakPolarHBondContact O-CB 3.39Å; A71-A75 PolarHBondContact O-N 3.19Å; A75-L172 HydrophobicContact CB-CD1 4.2Å
76R87.6Confident88.9Confident172 Ų17254.7 Ų54.765%0.64930%0.3SS*.THydrogen-bonded Turntrans-98.6-0.8179.5-65.5179.6177.1-166-2.9113.8S72 I74 I78S72-R76 VanDerWaalsContact O-CB 3.32Å; S72-R76 WeakPolarHBondContact O-CB 3.34Å; S72-R76 WeakPolarHBondContact O-CG 3.31Å; S72-R76 PolarHBondContact O-N 2.86Å; I74-R76 PolarHBondContact O-N 2.83Å; I74-R76 VanDerWaalsContact O-N 3.12Å; R76-I78 HydrophobicContact CB-CD1 3.67Å; R76-I78 HydrophobicContact CB-CG1 3.61Å; R76-I78 HydrophobicContact CG-CD1 4.37Å; R76-I78 PolarHBondContact O-N 2.95Å
77N86.4Confident88.7Confident126 Ų12655 Ų5567%0.67430%0.302SS*.THydrogen-bonded Turntrans49.444.6-175.6-165.436.3000112.6K73 I74K73-N77 PolarHBondContact O-N 3.17Å; K73-N77 VanDerWaalsContact O-N 3.13Å; I74-N77 PolarHBondContact O-N 2.9Å
78I81Confident88.7Confident102 Ų10257.4 Ų57.452%0.52332%0.316SS..  trans-77.3-36.1-173.7-70.4169.2000111.5K73 R76K73-I78 PolarHBondContact O-N 3.41Å; K73-I78 VanDerWaalsContact O-N 3.08Å; R76-I78 HydrophobicContact CB-CD1 3.67Å; R76-I78 HydrophobicContact CB-CG1 3.61Å; R76-I78 HydrophobicContact CG-CD1 4.37Å; R76-I78 PolarHBondContact O-N 2.95Å
79N77Confident88.6Confident35 Ų3561.5 Ų61.519%0.18734%0.338CS..  trans-130.4127.9-175.5-176.3-38.6000108.4N81 Y82N79-N81 PolarHBondContact O-N 2.87Å; N79-N81 VanDerWaalsContact O-N 3.14Å; N79-N81 VanDerWaalsContact OD1-CB 3.25Å; N79-N81 WeakPolarHBondContact OD1-CB 3.34Å; N79-N81 PolarHBondContact OD1-N 3.36Å; N79-Y82 HydrophobicContact CB-CD2 3.81Å; N79-Y82 HydrophobicContact CB-CG 4.35Å; N79-Y82 PolarHBondContact O-N 3.15Å
80S80Confident88.6Confident96 Ų9660.4 Ų60.467%0.67133%0.332SS*.THydrogen-bonded Turntrans-61.4-20.6-179.652.10000113.8Y82 T83S80-Y82 VanDerWaalsContact C-N 3.3Å; S80-T83 WeakPolarHBondContact O-CG2 3.32Å
81N80.6Confident88.6Confident84 Ų8460.5 Ų60.545%0.44933%0.332SS..THydrogen-bonded Turntrans-81.9-10.1175.9-57.3-14.5000112.3N79 N86 I93N79-N81 PolarHBondContact O-N 2.87Å; N79-N81 VanDerWaalsContact O-N 3.14Å; N79-N81 VanDerWaalsContact OD1-CB 3.25Å; N79-N81 WeakPolarHBondContact OD1-CB 3.34Å; N79-N81 PolarHBondContact OD1-N 3.36Å; N81-N86 PolarHBondContact O-ND2 3.04Å; N81-N86 PolarHBondContact O-OD1 3.17Å; N81-I93 HydrophobicContact CB-CD1 4.13Å
82Y85.5Confident88.7Confident0 Ų063.7 Ų63.70%035%0.347CS..  trans-111.188-179.3-73.9-118000108.8V70 K73 N79 S80 A90 I93 W94V70-Y82 HydrophobicContact CG2-CE1 4.14Å; K73-Y82 HydrophobicContact CB-CD1 3.55Å; K73-Y82 HydrophobicContact CB-CE1 4.23Å; K73-Y82 HydrophobicContact CB-CG 3.91Å; K73-Y82 HydrophobicContact CD-CD1 3.55Å; K73-Y82 HydrophobicContact CD-CD2 4.18Å; K73-Y82 HydrophobicContact CD-CE1 3.39Å; K73-Y82 HydrophobicContact CD-CE2 4.05Å; K73-Y82 HydrophobicContact CD-CG 3.96Å; K73-Y82 HydrophobicContact CG-CD1 4.19Å; K73-Y82 HydrophobicContact CG-CE1 4.41Å; K73-Y82 PolarHBondContact NZ-OH 3.22Å; N79-Y82 HydrophobicContact CB-CD2 3.81Å; N79-Y82 HydrophobicContact CB-CG 4.35Å; N79-Y82 PolarHBondContact O-N 3.15Å; S80-Y82 VanDerWaalsContact C-N 3.3Å; Y82-A90 HydrophobicContact CD1-CB 3.48Å; Y82-A90 VanDerWaalsContact CD1-CB 3.48Å; Y82-A90 HydrophobicContact CD2-CB 4.47Å; Y82-A90 HydrophobicContact CE1-CB 3.86Å; Y82-A90 WeakPolarHBondContact CE1-O 3.34Å; Y82-A90 HydrophobicContact CG-CB 3.83Å; Y82-I93 HydrophobicContact CE2-CB 4.44Å; Y82-I93 HydrophobicContact CE2-CG2 3.97Å; Y82-W94 PolarHBondContact OH-N 2.81Å
83T84.1Confident88.8Confident43 Ų4364.6 Ų64.626%0.26435%0.349SS..  trans-118.2163.4-179.779.90000110.9S80 E85 N86S80-T83 WeakPolarHBondContact O-CG2 3.32Å; T83-E85 PolarHBondContact O-N 3.01Å; T83-E85 PolarHBondContact OG1-N 2.89Å; T83-N86 VanDerWaalsContact CA-OD1 3.31Å; T83-N86 WeakPolarHBondContact CA-OD1 3.31Å; T83-N86 WeakPolarHBondContact CB-OD1 3.44Å; T83-N86 PolarHBondContact N-OD1 3.1Å; T83-N86 PolarHBondContact O-N 3.45Å; T83-N86 PolarHBondContact O-OD1 2.92Å; T83-N86 VanDerWaalsContact O-OD1 3.11Å; T83-N86 PolarHBondContact OG1-N 3.46Å; T83-N86 PolarHBondContact OG1-OD1 3.19Å
84S84.2Confident88.9Confident76 Ų7662.8 Ų62.853%0.53134%0.341SS..THydrogen-bonded Turntrans-65.4-16.1173.151.90000113.3
85E88.9Confident89.2Confident181 Ų18162.9 Ų62.985%0.84634%0.342SS*.THydrogen-bonded Turntrans-88.7-17.5-179.9-61.6-178.3177.300112.5T83T83-E85 PolarHBondContact O-N 3.01Å; T83-E85 PolarHBondContact OG1-N 2.89Å
86N92.1Very high89.5Confident38 Ų3866 Ų6620%0.20334%0.344CS..  trans-133.840.8-174.275.4-25.3000113.1N81 T83 T88 D89 A90N81-N86 PolarHBondContact O-ND2 3.04Å; N81-N86 PolarHBondContact O-OD1 3.17Å; T83-N86 VanDerWaalsContact CA-OD1 3.31Å; T83-N86 WeakPolarHBondContact CA-OD1 3.31Å; T83-N86 WeakPolarHBondContact CB-OD1 3.44Å; T83-N86 PolarHBondContact N-OD1 3.1Å; T83-N86 PolarHBondContact O-N 3.45Å; T83-N86 PolarHBondContact O-OD1 2.92Å; T83-N86 VanDerWaalsContact O-OD1 3.11Å; T83-N86 PolarHBondContact OG1-N 3.46Å; T83-N86 PolarHBondContact OG1-OD1 3.19Å; N86-T88 VanDerWaalsContact C-N 3.25Å; N86-T88 PolarHBondContact O-N 2.93Å; N86-D89 HydrophobicContact CB-CB 4.22Å; N86-D89 PolarHBondContact O-N 3Å; N86-A90 PolarHBondContact O-N 2.81Å
87I93.8Very high89.9Confident7 Ų760.3 Ų60.34%0.03633%0.326CS..Hα-helixtrans-56-39.1-178.6-55.4-167.9000112.1V70 I74 A90 I91 L173 Y177V70-I87 HydrophobicContact CG1-CG2 4.31Å; I74-I87 HydrophobicContact CD1-CB 4.35Å; I74-I87 HydrophobicContact CD1-CD1 4.25Å; I74-I87 HydrophobicContact CD1-CG1 3.85Å; I74-I87 HydrophobicContact CD1-CG2 4.19Å; I87-A90 WeakPolarHBondContact O-CB 3.37Å; I87-A90 PolarHBondContact O-N 3.26Å; I87-I91 HydrophobicContact CG2-CD1 4.08Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.44Å; I87-I91 PolarHBondContact O-N 3.32Å; I87-L173 HydrophobicContact CG2-CD2 3.61Å; I87-Y177 HydrophobicContact CB-CD1 3.99Å; I87-Y177 HydrophobicContact CB-CD2 4.42Å; I87-Y177 HydrophobicContact CB-CE1 3.77Å; I87-Y177 HydrophobicContact CB-CE2 4.22Å; I87-Y177 HydrophobicContact CB-CG 4.32Å; I87-Y177 HydrophobicContact CD1-CD2 4.06Å; I87-Y177 HydrophobicContact CD1-CE2 3.68Å; I87-Y177 HydrophobicContact CG1-CE2 4.35Å; I87-Y177 HydrophobicContact CG2-CD1 3.73Å; I87-Y177 HydrophobicContact CG2-CD2 4.02Å; I87-Y177 HydrophobicContact CG2-CE1 4.05Å; I87-Y177 HydrophobicContact CG2-CE2 4.32Å; I87-Y177 HydrophobicContact CG2-CG 3.72Å
88T94.8Very high90.4Very high49 Ų4954.9 Ų54.930%0.30130%0.298SS..Hα-helixtrans-60.6-45.3176-51.80000111.9N86 A90 I91 L92 F180N86-T88 VanDerWaalsContact C-N 3.25Å; N86-T88 PolarHBondContact O-N 2.93Å; T88-A90 VanDerWaalsContact C-N 3.34Å; T88-I91 WeakPolarHBondContact O-CB 3.15Å; T88-I91 PolarHBondContact O-N 2.92Å; T88-L92 WeakPolarHBondContact O-CG 3.45Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.07Å; T88-F180 HydrophobicContact CG2-CD1 4Å; T88-F180 HydrophobicContact CG2-CD2 4.27Å; T88-F180 HydrophobicContact CG2-CE1 3.4Å; T88-F180 HydrophobicContact CG2-CE2 3.7Å; T88-F180 HydrophobicContact CG2-CG 4.42Å; T88-F180 HydrophobicContact CG2-CZ 3.23Å
89D94.4Very high91.2Very high88 Ų8850.9 Ų50.947%0.47128%0.278SS..Hα-helixtrans-65.1-41.2176.9-62.1-21.9000110.6N86 I91 L92 I93N86-D89 HydrophobicContact CB-CB 4.22Å; N86-D89 PolarHBondContact O-N 3Å; D89-I91 VanDerWaalsContact C-N 3.26Å; D89-I91 PolarHBondContact O-N 3.3Å; D89-L92 PolarHBondContact O-N 3.07Å; D89-L92 VanDerWaalsContact O-N 3.16Å; D89-I93 WeakPolarHBondContact O-CB 2.85Å; D89-I93 VanDerWaalsContact O-CG1 3.25Å; D89-I93 WeakPolarHBondContact O-CG1 3.38Å; D89-I93 PolarHBondContact O-N 2.87Å
90A94.6Very high92.1Very high0 Ų053.5 Ų53.50%029%0.289CS..Hα-helixtrans-59.6-36.7175.600000112.7V70 Y82 N86 I87 T88 W94V70-A90 HydrophobicContact CG1-CB 4.05Å; Y82-A90 HydrophobicContact CD1-CB 3.48Å; Y82-A90 VanDerWaalsContact CD1-CB 3.48Å; Y82-A90 HydrophobicContact CD2-CB 4.47Å; Y82-A90 HydrophobicContact CE1-CB 3.86Å; Y82-A90 WeakPolarHBondContact CE1-O 3.34Å; Y82-A90 HydrophobicContact CG-CB 3.83Å; N86-A90 PolarHBondContact O-N 2.81Å; I87-A90 WeakPolarHBondContact O-CB 3.37Å; I87-A90 PolarHBondContact O-N 3.26Å; T88-A90 VanDerWaalsContact C-N 3.34Å; A90-W94 WeakPolarHBondContact O-CB 3.48Å; A90-W94 PolarHBondContact O-N 2.9Å; A90-W94 VanDerWaalsContact O-N 3.08Å
91I95.3Very high92.9Very high1 Ų149.6 Ų49.61%0.00526%0.261CS..Hα-helixtrans-65.7-46.7173.8-71.6161.3000110.9V70 I87 T88 D89 W94 D95 F180 M181V70-I91 HydrophobicContact CG1-CG1 4.18Å; V70-I91 HydrophobicContact CG2-CG1 4.13Å; I87-I91 HydrophobicContact CG2-CD1 4.08Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.44Å; I87-I91 PolarHBondContact O-N 3.32Å; T88-I91 WeakPolarHBondContact O-CB 3.15Å; T88-I91 PolarHBondContact O-N 2.92Å; D89-I91 VanDerWaalsContact C-N 3.26Å; D89-I91 PolarHBondContact O-N 3.3Å; I91-W94 PolarHBondContact O-N 3.21Å; I91-D95 PolarHBondContact O-N 2.96Å; I91-F180 HydrophobicContact CB-CD1 4.49Å; I91-F180 HydrophobicContact CB-CE1 4.44Å; I91-F180 HydrophobicContact CD1-CD1 4.06Å; I91-F180 HydrophobicContact CG2-CD1 4.08Å; I91-F180 HydrophobicContact CG2-CE1 4.06Å; I91-M181 HydrophobicContact CD1-CB 4.16Å; I91-M181 HydrophobicContact CG1-CB 4.45Å; I91-M181 HydrophobicContact CG1-CG 4.41Å; I91-M181 HydrophobicContact CG1-SD 4.03Å; I91-M181 HydrophobicContact CG2-CB 3.91Å; I91-M181 HydrophobicContact CG2-CE 4.23Å; I91-M181 HydrophobicContact CG2-CG 3.59Å; I91-M181 HydrophobicContact CG2-SD 4.08Å
92L95.9Very high93.8Very high78 Ų7846.3 Ų46.341%0.40824%0.243SC..Hα-helixtrans-66.1-43.3-179.3-66.5175.7000111.9T88 D89 W94 D95 E96 F180T88-L92 WeakPolarHBondContact O-CG 3.45Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.07Å; D89-L92 PolarHBondContact O-N 3.07Å; D89-L92 VanDerWaalsContact O-N 3.16Å; L92-W94 VanDerWaalsContact C-N 3.35Å; L92-W94 PolarHBondContact O-N 3.31Å; L92-D95 PolarHBondContact O-N 3.47Å; L92-E96 WeakPolarHBondContact O-CB 3.4Å; L92-E96 PolarHBondContact O-N 2.98Å; L92-F180 HydrophobicContact CD2-CE1 4.17Å; L92-F180 HydrophobicContact CD2-CZ 4.18Å; L92-F180 HydrophobicContact CG-CE1 4.28Å; L92-F180 HydrophobicContact CG-CZ 4.37Å
93I94.5Very high94.3Very high45 Ų4551.2 Ų51.223%0.23127%0.266CS..Hα-helixtrans-60-46.7175-67.4164.5000110.1N81 Y82 D89 D95 E96 D97N81-I93 HydrophobicContact CB-CD1 4.13Å; Y82-I93 HydrophobicContact CE2-CB 4.44Å; Y82-I93 HydrophobicContact CE2-CG2 3.97Å; D89-I93 WeakPolarHBondContact O-CB 2.85Å; D89-I93 VanDerWaalsContact O-CG1 3.25Å; D89-I93 WeakPolarHBondContact O-CG1 3.38Å; D89-I93 PolarHBondContact O-N 2.87Å; I93-D95 VanDerWaalsContact C-N 3.28Å; I93-D95 PolarHBondContact O-N 3.46Å; I93-E96 PolarHBondContact O-N 3.45Å; I93-D97 WeakPolarHBondContact CG2-OD2 3.44Å; I93-D97 WeakPolarHBondContact O-CB 3.34Å; I93-D97 PolarHBondContact O-N 2.65Å
94W95.5Very high95Very high10 Ų1049.4 Ų49.44%0.03826%0.255CS..Hα-helixtrans-59.7-40.2177.3173.781.3000112.2R64 V70 Y82 A90 I91 L92 T98 M181 S185 A187 L188R64-W94 WeakPolarHBondContact O-CZ2 3.12Å; V70-W94 HydrophobicContact CG2-CB 4.04Å; V70-W94 HydrophobicContact CG2-CG 4.39Å; Y82-W94 PolarHBondContact OH-N 2.81Å; A90-W94 WeakPolarHBondContact O-CB 3.48Å; A90-W94 PolarHBondContact O-N 2.9Å; A90-W94 VanDerWaalsContact O-N 3.08Å; I91-W94 PolarHBondContact O-N 3.21Å; L92-W94 VanDerWaalsContact C-N 3.35Å; L92-W94 PolarHBondContact O-N 3.31Å; W94-T98 HydrophobicContact CZ2-CG2 4.12Å; W94-T98 PolarHBondContact NE1-OG1 3.14Å; W94-T98 WeakPolarHBondContact O-CB 3.36Å; W94-T98 PolarHBondContact O-N 2.68Å; W94-T98 PolarHBondContact O-OG1 2.72Å; W94-M181 HydrophobicContact CD2-CE 3.92Å; W94-M181 HydrophobicContact CE3-CE 3.19Å; W94-M181 HydrophobicContact CH2-CE 4.24Å; W94-M181 HydrophobicContact CZ3-CE 3.38Å; W94-S185 WeakPolarHBondContact CZ3-OG 3.39Å; W94-A187 HydrophobicContact CH2-CB 3.78Å; W94-A187 HydrophobicContact CZ3-CB 3.87Å; W94-L188 HydrophobicContact CH2-CD2 3.71Å; W94-L188 HydrophobicContact CH2-CG 3.92Å; W94-L188 HydrophobicContact CZ3-CD2 4.1Å; W94-L188 HydrophobicContact CZ3-CG 3.87Å
95D97.2Very high95.6Very high16 Ų1646.2 Ų46.29%0.08623%0.232CC..Hα-helixtrans-66.9-44.7179.3-164.565.7000111.7I91 L92 I93 T99 S185 L186 A187I91-D95 PolarHBondContact O-N 2.96Å; L92-D95 PolarHBondContact O-N 3.47Å; I93-D95 VanDerWaalsContact C-N 3.28Å; I93-D95 PolarHBondContact O-N 3.46Å; D95-T99 WeakPolarHBondContact O-CB 3.43Å; D95-T99 PolarHBondContact O-N 3.37Å; D95-T99 PolarHBondContact O-OG1 3.07Å; D95-S185 WeakPolarHBondContact OD1-CA 3.34Å; D95-S185 VanDerWaalsContact OD1-CB 3.26Å; D95-S185 WeakPolarHBondContact OD1-CB 3.3Å; D95-S185 PolarHBondContact OD1-OG 3.4Å; D95-L186 PolarHBondContact OD1-N 2.91Å; D95-L186 PolarHBondContact OD2-N 2.88Å; D95-A187 VanDerWaalsContact OD1-CB 3.25Å; D95-A187 WeakPolarHBondContact OD1-CB 3.2Å; D95-A187 PolarHBondContact OD1-N 2.86Å
96E96.1Very high96.1Very high140 Ų14044.7 Ų44.765%0.65423%0.225SC*.Hα-helixtrans-61-56.2177.1-175.4172.9-166.800111.1L92 I93 T98 T99 Q100L92-E96 WeakPolarHBondContact O-CB 3.4Å; L92-E96 PolarHBondContact O-N 2.98Å; I93-E96 PolarHBondContact O-N 3.45Å; E96-T98 VanDerWaalsContact C-N 3.35Å; E96-T98 PolarHBondContact O-N 2.92Å; E96-T99 PolarHBondContact O-N 2.81Å; E96-Q100 PolarHBondContact O-N 3.24Å
97D95.6Very high96.3Very high51 Ų5150.8 Ų50.827%0.27325%0.246SC..Hα-helixtrans-57.2-48.2179.7-62.1-15.5000110.7I93 T99 Q100 I101I93-D97 WeakPolarHBondContact CG2-OD2 3.44Å; I93-D97 WeakPolarHBondContact O-CB 3.34Å; I93-D97 PolarHBondContact O-N 2.65Å; D97-T99 PolarHBondContact O-N 2.99Å; D97-Q100 PolarHBondContact O-N 3.38Å; D97-I101 WeakPolarHBondContact O-CD1 3.16Å; D97-I101 WeakPolarHBondContact O-CG1 3.41Å; D97-I101 PolarHBondContact O-N 3.19Å
98T97.1Very high96.5Very high12 Ų1251.5 Ų51.57%0.07425%0.25CC..Hα-helixtrans-67.3-39.2-176.6-56.70000111.5V63 W94 E96 L102 A187 L191V63-T98 HydrophobicContact CG1-CG2 4.29Å; W94-T98 HydrophobicContact CZ2-CG2 4.12Å; W94-T98 PolarHBondContact NE1-OG1 3.14Å; W94-T98 WeakPolarHBondContact O-CB 3.36Å; W94-T98 PolarHBondContact O-N 2.68Å; W94-T98 PolarHBondContact O-OG1 2.72Å; E96-T98 VanDerWaalsContact C-N 3.35Å; E96-T98 PolarHBondContact O-N 2.92Å; T98-L102 HydrophobicContact CG2-CD1 4.01Å; T98-L102 HydrophobicContact CG2-CG 4.43Å; T98-L102 WeakPolarHBondContact O-CB 3.12Å; T98-L102 WeakPolarHBondContact O-CD1 3.42Å; T98-L102 WeakPolarHBondContact O-CG 3.47Å; T98-L102 PolarHBondContact O-N 2.81Å; T98-A187 HydrophobicContact CG2-CB 3.87Å; T98-L191 HydrophobicContact CG2-CD1 4.03Å
99T97.3Very high96.7Very high18 Ų1850.3 Ų50.311%0.1125%0.247CC..Hα-helixtrans-65.2-48.2177.9-58.40000110.4D95 E96 D97 I101 L102 E103D95-T99 WeakPolarHBondContact O-CB 3.43Å; D95-T99 PolarHBondContact O-N 3.37Å; D95-T99 PolarHBondContact O-OG1 3.07Å; E96-T99 PolarHBondContact O-N 2.81Å; D97-T99 PolarHBondContact O-N 2.99Å; T99-I101 PolarHBondContact O-N 3.41Å; T99-L102 WeakPolarHBondContact O-CB 3.41Å; T99-L102 PolarHBondContact O-N 3.24Å; T99-E103 WeakPolarHBondContact O-CG 3.42Å; T99-E103 PolarHBondContact O-N 3.08Å
100Q97.2Very high96.8Very high91 Ų9151.1 Ų51.143%0.42526%0.26SS..Hα-helixtrans-56.5-49.9176.9-17863.657.200111.4E96 D97 L102 E103 D104E96-Q100 PolarHBondContact O-N 3.24Å; D97-Q100 PolarHBondContact O-N 3.38Å; Q100-L102 VanDerWaalsContact C-N 3.28Å; Q100-L102 PolarHBondContact O-N 3.39Å; Q100-E103 PolarHBondContact O-N 2.95Å; Q100-E103 VanDerWaalsContact O-N 3.14Å; Q100-D104 PolarHBondContact NE2-OD1 3.33Å; Q100-D104 PolarHBondContact O-N 3.25Å
101I97.5Very high97Very high13 Ų1358.9 Ų58.97%0.06730%0.296CS..Hα-helixtrans-66.8-32.5-177.4-60.2162.9000111.3F44 L47 H61 D97 T99 C105F44-I101 HydrophobicContact CB-CD1 3.8Å; F44-I101 HydrophobicContact CB-CG1 4.1Å; F44-I101 HydrophobicContact CB-CG2 4.11Å; F44-I101 HydrophobicContact CD1-CG2 3.67Å; F44-I101 HydrophobicContact CG-CG2 4.35Å; L47-I101 HydrophobicContact CD2-CG2 4.13Å; H61-I101 HydrophobicContact CB-CG2 4.38Å; H61-I101 WeakPolarHBondContact CE1-CG2 3.25Å; H61-I101 WeakPolarHBondContact ND1-CG2 3.33Å; D97-I101 WeakPolarHBondContact O-CD1 3.16Å; D97-I101 WeakPolarHBondContact O-CG1 3.41Å; D97-I101 PolarHBondContact O-N 3.19Å; T99-I101 PolarHBondContact O-N 3.41Å; I101-C105 WeakPolarHBondContact O-CB 3.44Å; I101-C105 PolarHBondContact O-N 3.34Å
102L97.6Very high97.1Very high15 Ų1560.7 Ų60.78%0.07930%0.304CS..Hα-helixtrans-64.1-45.2172.9-77.4169.3000111.5V63 T98 T99 Q100 C105 E106 T115 L191V63-L102 HydrophobicContact CG1-CD2 4.22Å; T98-L102 HydrophobicContact CG2-CD1 4.01Å; T98-L102 HydrophobicContact CG2-CG 4.43Å; T98-L102 WeakPolarHBondContact O-CB 3.12Å; T98-L102 WeakPolarHBondContact O-CD1 3.42Å; T98-L102 WeakPolarHBondContact O-CG 3.47Å; T98-L102 PolarHBondContact O-N 2.81Å; T99-L102 WeakPolarHBondContact O-CB 3.41Å; T99-L102 PolarHBondContact O-N 3.24Å; Q100-L102 VanDerWaalsContact C-N 3.28Å; Q100-L102 PolarHBondContact O-N 3.39Å; L102-C105 PolarHBondContact O-N 3.37Å; L102-E106 PolarHBondContact O-N 2.96Å; L102-T115 HydrophobicContact CD2-CG2 3.97Å; L102-L191 HydrophobicContact CD1-CD1 4.17Å; L102-L191 HydrophobicContact CD1-CD2 4Å; L102-L191 HydrophobicContact CD1-CG 4.02Å; L102-L191 HydrophobicContact CD2-CD2 4.16Å
103E97.6Very high97.2Very high103 Ų10357.2 Ų57.248%0.48129%0.287SS..Hα-helixtrans-63.6-45.7177-69.6177.9175.800111.5T99 Q100 C105 E106 Y107T99-E103 WeakPolarHBondContact O-CG 3.42Å; T99-E103 PolarHBondContact O-N 3.08Å; Q100-E103 PolarHBondContact O-N 2.95Å; Q100-E103 VanDerWaalsContact O-N 3.14Å; E103-C105 VanDerWaalsContact C-N 3.33Å; E103-C105 PolarHBondContact O-N 2.82Å; E103-E106 WeakPolarHBondContact O-CB 3.41Å; E103-E106 PolarHBondContact O-N 3.3Å; E103-Y107 WeakPolarHBondContact O-CB 3.39Å; E103-Y107 PolarHBondContact O-N 3.07Å
104D98Very high97.4Very high6 Ų656.2 Ų56.23%0.03228%0.281CS..Hα-helixtrans-59.5-43.6175.6-72.72.6000111.7L47 E48 Q100 E106 Y107 I108L47-D104 HydrophobicContact CB-CB 3.99Å; L47-D104 HydrophobicContact CD2-CB 3.82Å; L47-D104 HydrophobicContact CG-CB 4.22Å; E48-D104 HydrophobicContact CG-CB 4.1Å; Q100-D104 PolarHBondContact NE2-OD1 3.33Å; Q100-D104 PolarHBondContact O-N 3.25Å; D104-E106 VanDerWaalsContact C-N 3.32Å; D104-E106 PolarHBondContact O-N 3.29Å; D104-Y107 PolarHBondContact O-N 3.01Å; D104-I108 WeakPolarHBondContact O-CB 3.43Å; D104-I108 WeakPolarHBondContact O-CD1 3.43Å; D104-I108 WeakPolarHBondContact O-CG1 3.49Å; D104-I108 PolarHBondContact O-N 3.39Å
105C97.8Very high97.5Very high8 Ų857.9 Ų57.95%0.05429%0.293CS..Hα-helixtrans-65.4-37.8179.4-168.70000111.5L47 I101 L102 E103 G109 C113 T115L47-C105 HydrophobicContact CD2-CB 4.16Å; I101-C105 WeakPolarHBondContact O-CB 3.44Å; I101-C105 PolarHBondContact O-N 3.34Å; L102-C105 PolarHBondContact O-N 3.37Å; E103-C105 VanDerWaalsContact C-N 3.33Å; E103-C105 PolarHBondContact O-N 2.82Å; C105-G109 PolarHBondContact O-N 3.26Å; C105-G109 VanDerWaalsContact O-N 3.15Å; C105-C113 WeakPolarHBondContact CA-SG 3.31Å; C105-C113 HydrophobicContact CB-CB 3.97Å; C105-C113 WeakPolarHBondContact CB-SG 3.41Å; C105-C113 WeakPolarHBondContact SG-CB 3.31Å; C105-C113 CovalentContact SG-SG 2.03Å; C105-C113 PolarHBondContact SG-SG 3.38Å; C105-T115 PolarHBondContact SG-OG1 3.04Å; C105-T115 VanDerWaalsContact SG-OG1 3.37Å
106E97.4Very high97.5Very high149 Ų14957.3 Ų57.370%0.69629%0.29SS*.Hα-helixtrans-65.4-46.3172.5-177.1171.1-174.900111.3L102 E103 D104 I108 G109L102-E106 PolarHBondContact O-N 2.96Å; E103-E106 WeakPolarHBondContact O-CB 3.41Å; E103-E106 PolarHBondContact O-N 3.3Å; D104-E106 VanDerWaalsContact C-N 3.32Å; D104-E106 PolarHBondContact O-N 3.29Å; E106-I108 PolarHBondContact O-N 3.3Å; E106-G109 PolarHBondContact O-N 3.24Å
107Y97.7Very high97.6Very high166 Ų16653.4 Ų53.465%0.65127%0.269SS*.Hα-helixtrans-58.4-44.6177.2173.1-99.9000112.5E48 E103 D104 G109E48-Y107 HydrophobicContact CG-CD1 3.9Å; E48-Y107 HydrophobicContact CG-CE1 4.28Å; E48-Y107 WeakPolarHBondContact OE1-CD1 3.47Å; E103-Y107 WeakPolarHBondContact O-CB 3.39Å; E103-Y107 PolarHBondContact O-N 3.07Å; D104-Y107 PolarHBondContact O-N 3.01Å; Y107-G109 VanDerWaalsContact C-N 3.31Å; Y107-G109 PolarHBondContact O-N 2.51Å
108I98Very high97.7Very high22 Ų2253.3 Ų53.311%0.11327%0.265CS..Hα-helixtrans-67.3-32.6178.5-72164.8000112.2L47 N51 D104 E106 K112 C113L47-I108 HydrophobicContact CB-CD1 4.45Å; L47-I108 HydrophobicContact CD1-CD1 4.23Å; L47-I108 HydrophobicContact CD2-CD1 3.98Å; L47-I108 HydrophobicContact CG-CD1 3.51Å; N51-I108 HydrophobicContact CB-CD1 3.69Å; N51-I108 HydrophobicContact CB-CG1 3.84Å; N51-I108 HydrophobicContact CB-CG2 4.5Å; D104-I108 WeakPolarHBondContact O-CB 3.43Å; D104-I108 WeakPolarHBondContact O-CD1 3.43Å; D104-I108 WeakPolarHBondContact O-CG1 3.49Å; D104-I108 PolarHBondContact O-N 3.39Å; E106-I108 PolarHBondContact O-N 3.3Å; I108-K112 HydrophobicContact CG2-CB 3.55Å; I108-C113 HydrophobicContact CB-CB 4.35Å; I108-C113 HydrophobicContact CG2-CB 4.03Å
109G98Very high97.7Very high24 Ų2452.9 Ų52.925%0.24726%0.262CS..  trans90.6156.417600000115C105 E106 Y107 E111 K112 C113C105-G109 PolarHBondContact O-N 3.26Å; C105-G109 VanDerWaalsContact O-N 3.15Å; E106-G109 PolarHBondContact O-N 3.24Å; Y107-G109 VanDerWaalsContact C-N 3.31Å; Y107-G109 PolarHBondContact O-N 2.51Å; G109-E111 PolarHBondContact O-N 2.93Å; G109-E111 VanDerWaalsContact O-N 3.09Å; G109-K112 PolarHBondContact O-N 3.03Å; G109-C113 PolarHBondContact O-N 2.84Å
110S97.3Very high97.7Very high105 Ų10552.2 Ų52.273%0.73426%0.258SS*.THydrogen-bonded Turntrans-66.8-13.1-169.659.40000115.6K112S110-K112 VanDerWaalsContact C-N 3.34Å
111E97.8Very high97.6Very high163 Ų16350.1 Ų50.176%0.76225%0.25SC*.THydrogen-bonded Turntrans-75.2-25.8173.1-63.7-167.2165.400112.7K58 G109K58-E111 WeakPolarHBondContact CE-O 3.4Å; G109-E111 PolarHBondContact O-N 2.93Å; G109-E111 VanDerWaalsContact O-N 3.09Å
112K98Very high97.5Very high39 Ų3950 Ų5017%0.1725%0.25CC..THydrogen-bonded Turntrans-120.4-22.6-174-70.2-168.274.4-176.20114N51 F54 P55 G57 K58 F59 I108 G109 S110 F135N51-K112 PolarHBondContact O-NZ 3.48Å; N51-K112 WeakPolarHBondContact OD1-CE 3.31Å; N51-K112 PolarHBondContact OD1-NZ 3.37Å; F54-K112 PolarHBondContact O-NZ 3.12Å; P55-K112 VanDerWaalsContact O-CE 3.28Å; P55-K112 WeakPolarHBondContact O-CE 3.4Å; P55-K112 PolarHBondContact O-NZ 2.88Å; G57-K112 WeakPolarHBondContact O-CE 3.3Å; K58-K112 CarbonylContact C-O 3.53Å; K58-K112 WeakPolarHBondContact CA-O 3.26Å; F59-K112 PolarHBondContact N-O 3.09Å; I108-K112 HydrophobicContact CG2-CB 3.55Å; G109-K112 PolarHBondContact O-N 3.03Å; S110-K112 VanDerWaalsContact C-N 3.34Å; K112-F135 WeakPolarHBondContact O-CZ 3.37Å
113C98.5Very high97.3Very high6 Ų650.6 Ų50.64%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-124.5133.4175.1-168.30000112.2F59 C105 I108 G109F59-C113 HydrophobicContact CB-CB 4.42Å; F59-C113 WeakPolarHBondContact O-CA 3.24Å; C105-C113 WeakPolarHBondContact CA-SG 3.31Å; C105-C113 HydrophobicContact CB-CB 3.97Å; C105-C113 WeakPolarHBondContact CB-SG 3.41Å; C105-C113 WeakPolarHBondContact SG-CB 3.31Å; C105-C113 CovalentContact SG-SG 2.03Å; C105-C113 PolarHBondContact SG-SG 3.38Å; I108-C113 HydrophobicContact CB-CB 4.35Å; I108-C113 HydrophobicContact CG2-CB 4.03Å; G109-C113 PolarHBondContact O-N 2.84Å
114L98.2Very high97.1Very high23 Ų2348.4 Ų48.412%0.1224%0.244CC..EExtended strand (participates in β ladder)trans-125.2115.7178.1179.666.8000110.3F59 I60 H61 L116 V132 F135F59-L114 PolarHBondContact O-N 2.96Å; I60-L114 CarbonylContact C-O 3.48Å; I60-L114 WeakPolarHBondContact CA-O 3.32Å; H61-L114 PolarHBondContact N-O 2.88Å; L114-L116 HydrophobicContact CD2-CD1 4.07Å; L114-L116 HydrophobicContact CD2-CD2 4.03Å; L114-L116 HydrophobicContact CD2-CG 4.03Å; L114-L116 HydrophobicContact CG-CD2 4.18Å; L114-L116 HydrophobicContact CG-CG 4.06Å; L114-V132 HydrophobicContact CD2-CG2 4.48Å; L114-F135 HydrophobicContact CB-CD1 3.78Å; L114-F135 HydrophobicContact CB-CD2 3.98Å; L114-F135 HydrophobicContact CB-CE1 3.7Å; L114-F135 HydrophobicContact CB-CE2 3.91Å; L114-F135 HydrophobicContact CB-CG 3.91Å; L114-F135 HydrophobicContact CB-CZ 3.77Å; L114-F135 HydrophobicContact CD2-CB 3.77Å; L114-F135 HydrophobicContact CD2-CD1 3.77Å; L114-F135 HydrophobicContact CD2-CE1 4.49Å; L114-F135 HydrophobicContact CD2-CG 3.77Å; L114-F135 HydrophobicContact CG-CD1 4.4Å; L114-F135 HydrophobicContact CG-CG 4.33Å
115T97.5Very high96.9Very high45 Ų4549.8 Ų49.828%0.27625%0.254SS..EExtended strand (participates in β ladder)trans-86.7127.8169.7-56.80000110.9H61 V63 L102 C105H61-T115 CarbonylContact O-C 3.47Å; H61-T115 VanDerWaalsContact O-CA 3.31Å; H61-T115 WeakPolarHBondContact O-CA 3.37Å; V63-T115 HydrophobicContact CB-CG2 4.38Å; V63-T115 HydrophobicContact CG1-CG2 3.73Å; V63-T115 HydrophobicContact CG2-CG2 3.77Å; L102-T115 HydrophobicContact CD2-CG2 3.97Å; C105-T115 PolarHBondContact SG-OG1 3.04Å; C105-T115 VanDerWaalsContact SG-OG1 3.37Å
116L97.1Very high96.7Very high4 Ų453.3 Ų53.32%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-125.6142176.1-64.5169.2000110.5I60 H61 I62 V63 L114 K131 V132I60-L116 HydrophobicContact CG2-CD1 3.63Å; I60-L116 HydrophobicContact CG2-CG 4.34Å; H61-L116 PolarHBondContact O-N 3.29Å; I62-L116 CarbonylContact C-O 3.54Å; I62-L116 WeakPolarHBondContact CA-O 3.08Å; I62-L116 HydrophobicContact CD1-CB 3.79Å; I62-L116 HydrophobicContact CD1-CD1 4.07Å; V63-L116 WeakPolarHBondContact CG2-O 3.26Å; V63-L116 PolarHBondContact N-O 3.33Å; L114-L116 HydrophobicContact CD2-CD1 4.07Å; L114-L116 HydrophobicContact CD2-CD2 4.03Å; L114-L116 HydrophobicContact CD2-CG 4.03Å; L114-L116 HydrophobicContact CG-CD2 4.18Å; L114-L116 HydrophobicContact CG-CG 4.06Å; L116-K131 HydrophobicContact CD2-CD 3.9Å; L116-V132 HydrophobicContact CD1-CG2 3.21Å; L116-V132 HydrophobicContact CG-CG2 4.47Å
117R97.6Very high96.5Very high58 Ų5850.6 Ų50.622%0.21926%0.255CS..EExtended strand (participates in β ladder)trans-88.1126.9174.5-64170.1-176.7-86.44.6109.9V63 E119 C120 L121 L191 Y193V63-R117 HydrophobicContact CG2-CB 4.4Å; V63-R117 HydrophobicContact CG2-CG 3.75Å; V63-R117 CarbonylContact O-C 3.55Å; V63-R117 WeakPolarHBondContact O-CA 3.17Å; R117-E119 PolarHBondContact O-N 3.34Å; R117-C120 HydrophobicContact CB-CB 4.11Å; R117-C120 PolarHBondContact O-N 3.19Å; R117-C120 VanDerWaalsContact O-N 3.17Å; R117-L121 PolarHBondContact O-N 3.08Å; R117-L191 PolarHBondContact NH1-O 2.86Å; R117-L191 VanDerWaalsContact NH2-C 3.34Å; R117-L191 PolarHBondContact NH2-O 3.11Å; R117-Y193 PolarHBondContact NH1-OH 3.31Å
118Y97.7Very high96.5Very high50 Ų5043.2 Ų43.220%0.19623%0.226CC..Hα-helixtrans-51.3-44.8173.4166.4-97.6000111.4V63 R64 C120 L121 V122 L163V63-Y118 PolarHBondContact O-N 2.93Å; R64-Y118 HydrophobicContact CB-CG 4.47Å; R64-Y118 HydrophobicContact CG-CD1 3.74Å; R64-Y118 HydrophobicContact CG-CG 4.05Å; Y118-C120 VanDerWaalsContact C-N 3.32Å; Y118-C120 PolarHBondContact O-N 2.68Å; Y118-L121 WeakPolarHBondContact O-CB 3.34Å; Y118-L121 PolarHBondContact O-N 3.4Å; Y118-V122 HydrophobicContact CD1-CG2 4.49Å; Y118-V122 HydrophobicContact CD2-CG2 4.16Å; Y118-V122 HydrophobicContact CE1-CG2 3.99Å; Y118-V122 HydrophobicContact CE2-CG2 3.62Å; Y118-V122 WeakPolarHBondContact O-CG2 3.36Å; Y118-V122 PolarHBondContact O-N 3.47Å; Y118-L163 HydrophobicContact CD1-CD2 4.42Å; Y118-L163 HydrophobicContact CE1-CD2 3.99Å
119E97.9Very high96.4Very high2 Ų243.3 Ų43.31%0.00923%0.227CC..Hα-helixtrans-63.1-40.8-177.3-61.478.1-169.500111.3R64 D65 R117 V122 L123 L163 Y193 Y202R64-E119 WeakPolarHBondContact CG-OE1 3.23Å; D65-E119 PolarHBondContact N-OE1 3.49Å; R117-E119 PolarHBondContact O-N 3.34Å; E119-V122 PolarHBondContact O-N 2.95Å; E119-L123 VanDerWaalsContact O-CB 3.3Å; E119-L123 WeakPolarHBondContact O-CB 3.33Å; E119-L123 WeakPolarHBondContact O-CG 3.31Å; E119-L123 PolarHBondContact O-N 3.31Å; E119-L163 HydrophobicContact CB-CD2 3.91Å; E119-L163 HydrophobicContact CG-CD2 3.81Å; E119-Y193 PolarHBondContact OE2-OH 2.85Å; E119-Y193 VanDerWaalsContact OE2-OH 3.06Å; E119-Y202 HydrophobicContact CB-CD1 4.13Å; E119-Y202 HydrophobicContact CB-CG 3.99Å; E119-Y202 HydrophobicContact CG-CD1 3.64Å; E119-Y202 HydrophobicContact CG-CD2 4.13Å; E119-Y202 HydrophobicContact CG-CE1 3.93Å; E119-Y202 HydrophobicContact CG-CE2 4.38Å; E119-Y202 HydrophobicContact CG-CG 3.75Å
120C97.2Very high96.3Very high5 Ų546.8 Ų46.83%0.03424%0.237CC..Hα-helixtrans-69-37177.3-54.10000112R117 Y118 V122 L123 N124 E128 C206R117-C120 HydrophobicContact CB-CB 4.11Å; R117-C120 PolarHBondContact O-N 3.19Å; R117-C120 VanDerWaalsContact O-N 3.17Å; Y118-C120 VanDerWaalsContact C-N 3.32Å; Y118-C120 PolarHBondContact O-N 2.68Å; C120-V122 VanDerWaalsContact C-N 3.35Å; C120-L123 PolarHBondContact O-N 3.37Å; C120-N124 WeakPolarHBondContact O-CA 3.38Å; C120-N124 PolarHBondContact O-N 3.01Å; C120-E128 HydrophobicContact CB-CG 4.08Å; C120-E128 WeakPolarHBondContact O-CG 3.25Å; C120-C206 WeakPolarHBondContact CA-SG 3.34Å; C120-C206 HydrophobicContact CB-CB 3.84Å; C120-C206 WeakPolarHBondContact CB-SG 3.16Å; C120-C206 PolarHBondContact N-SG 3.27Å; C120-C206 VanDerWaalsContact N-SG 3.37Å; C120-C206 WeakPolarHBondContact SG-CA 3.15Å; C120-C206 WeakPolarHBondContact SG-CB 3.44Å; C120-C206 CovalentContact SG-SG 2.03Å; C120-C206 PolarHBondContact SG-SG 3.48Å
121L95.2Very high96.3Very high47 Ų4746.1 Ų46.125%0.24622%0.221CC..Hα-helixtrans-64-41.4175.3179.163.2000111.3R117 Y118 P125 E128 I129R117-L121 PolarHBondContact O-N 3.08Å; Y118-L121 WeakPolarHBondContact O-CB 3.34Å; Y118-L121 PolarHBondContact O-N 3.4Å; L121-P125 WeakPolarHBondContact O-CA 3.47Å; L121-P125 WeakPolarHBondContact O-CB 3.45Å; L121-P125 WeakPolarHBondContact O-CD 3.42Å; L121-E128 HydrophobicContact CB-CB 4.34Å; L121-E128 HydrophobicContact CB-CG 4.48Å; L121-E128 HydrophobicContact CD1-CB 3.76Å; L121-I129 HydrophobicContact CD1-CG1 4.05Å
122V94.3Very high96.2Very high11 Ų1139.6 Ų39.67%0.06719%0.192CC..Hα-helixtrans-71.3-39.1177.2173.30000112.1Y118 E119 C120 I158 H159 R160 L163Y118-V122 HydrophobicContact CD1-CG2 4.49Å; Y118-V122 HydrophobicContact CD2-CG2 4.16Å; Y118-V122 HydrophobicContact CE1-CG2 3.99Å; Y118-V122 HydrophobicContact CE2-CG2 3.62Å; Y118-V122 WeakPolarHBondContact O-CG2 3.36Å; Y118-V122 PolarHBondContact O-N 3.47Å; E119-V122 PolarHBondContact O-N 2.95Å; C120-V122 VanDerWaalsContact C-N 3.35Å; V122-I158 HydrophobicContact CB-CG2 4.33Å; V122-I158 HydrophobicContact CG1-CG2 4.2Å; V122-I158 HydrophobicContact CG2-CG2 4.34Å; V122-H159 VanDerWaalsContact CG1-O 3.27Å; V122-H159 WeakPolarHBondContact CG1-O 3.34Å; V122-R160 HydrophobicContact CG1-CG 3.97Å; V122-L163 HydrophobicContact CB-CD2 4.18Å; V122-L163 HydrophobicContact CG1-CD1 4.12Å; V122-L163 HydrophobicContact CG1-CD2 4.19Å; V122-L163 HydrophobicContact CG1-CG 4.21Å
123L94.7Very high96.2Very high27 Ų2738.7 Ų38.714%0.14119%0.188CC..Hα-helixtrans-75.2-38-178.3-71.9172.7000112.7E119 C120 L163 A203E119-L123 VanDerWaalsContact O-CB 3.3Å; E119-L123 WeakPolarHBondContact O-CB 3.33Å; E119-L123 WeakPolarHBondContact O-CG 3.31Å; E119-L123 PolarHBondContact O-N 3.31Å; C120-L123 PolarHBondContact O-N 3.37Å; L123-L163 HydrophobicContact CD2-CD1 3.77Å; L123-L163 HydrophobicContact CG-CD1 4.08Å; L123-A203 HydrophobicContact CD1-CB 4.25Å
124N94Very high96.2Very high57 Ų5746 Ų4631%0.30522%0.222SC..  trans-134.459.9-172.8-57.9-74000112C120 L126 R127 E128C120-N124 WeakPolarHBondContact O-CA 3.38Å; C120-N124 PolarHBondContact O-N 3.01Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 3.06Å; N124-R127 HydrophobicContact CB-CB 4.16Å; N124-R127 PolarHBondContact O-N 3.16Å; N124-R127 VanDerWaalsContact O-N 3.1Å; N124-E128 PolarHBondContact O-N 3.43Å; N124-E128 VanDerWaalsContact O-N 3.12Å
125P93Very high96.2Very high35 Ų3546.1 Ų46.123%0.22722%0.222CC..Hα-helixtrans-58.5-40.5-170.221.6-33.7000113.6L121 R127 E128 I129 L145 I158L121-P125 WeakPolarHBondContact O-CA 3.47Å; L121-P125 WeakPolarHBondContact O-CB 3.45Å; L121-P125 WeakPolarHBondContact O-CD 3.42Å; P125-R127 PolarHBondContact O-N 3.07Å; P125-E128 PolarHBondContact O-N 3.27Å; P125-I129 HydrophobicContact CB-CD1 4.33Å; P125-I129 VanDerWaalsContact O-CB 3.23Å; P125-I129 WeakPolarHBondContact O-CB 3.47Å; P125-I129 WeakPolarHBondContact O-CD1 3.21Å; P125-I129 WeakPolarHBondContact O-CG1 3.42Å; P125-I129 PolarHBondContact O-N 2.85Å; P125-L145 HydrophobicContact CB-CD2 4.22Å; P125-I158 HydrophobicContact CB-CD1 3.76Å
126L92.9Very high96.2Very high82 Ų8245.9 Ų45.943%0.42922%0.219SC..Hα-helixtrans-56.3-50.2176.5173.161.8000111.8N124 Q130 W140 L145N124-L126 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 3.06Å; L126-Q130 HydrophobicContact CD1-CG 4.18Å; L126-Q130 WeakPolarHBondContact O-CB 3.43Å; L126-Q130 WeakPolarHBondContact O-CG 3.36Å; L126-Q130 PolarHBondContact O-N 3.16Å; L126-W140 HydrophobicContact CD1-CH2 3.37Å; L126-W140 HydrophobicContact CD1-CZ2 3.66Å; L126-W140 HydrophobicContact CD1-CZ3 4Å; L126-L145 HydrophobicContact CB-CD2 4.28Å; L126-L145 HydrophobicContact CD1-CD1 4.17Å
127R94.8Very high96.2Very high92 Ų9249.6 Ų49.635%0.34725%0.245SC..Hα-helixtrans-63.9-48.7-177.4-173.8-177.2741787.5111.3N124 P125 Q130 K131 C206 N207N124-R127 HydrophobicContact CB-CB 4.16Å; N124-R127 PolarHBondContact O-N 3.16Å; N124-R127 VanDerWaalsContact O-N 3.1Å; P125-R127 PolarHBondContact O-N 3.07Å; R127-Q130 PolarHBondContact O-N 3.13Å; R127-K131 PolarHBondContact O-N 3.18Å; R127-C206 PolarHBondContact NH1-O 3.17Å; R127-C206 PolarHBondContact NH2-O 3.3Å; R127-N207 PolarHBondContact NH1-OD1 3.23Å
128E96.1Very high96.1Very high11 Ų1149.8 Ų49.85%0.05125%0.25CC..Hα-helixtrans-71.7-36.9-176.4-59.3-52.8138.500112.1C120 L121 N124 P125 K131 V132C120-E128 HydrophobicContact CB-CG 4.08Å; C120-E128 WeakPolarHBondContact O-CG 3.25Å; L121-E128 HydrophobicContact CB-CB 4.34Å; L121-E128 HydrophobicContact CB-CG 4.48Å; L121-E128 HydrophobicContact CD1-CB 3.76Å; N124-E128 PolarHBondContact O-N 3.43Å; N124-E128 VanDerWaalsContact O-N 3.12Å; P125-E128 PolarHBondContact O-N 3.27Å; E128-K131 WeakPolarHBondContact O-CB 3.37Å; E128-K131 PolarHBondContact O-N 2.67Å; E128-V132 WeakPolarHBondContact O-CG2 3.37Å; E128-V132 PolarHBondContact O-N 3.14Å
129I95.6Very high96Very high24 Ų2452.4 Ų52.412%0.12327%0.273CS..Hα-helixtrans-65.6-41.1174.3-67166.8000110.7L121 P125 K131 V132 L133 W140 L144 L145L121-I129 HydrophobicContact CD1-CG1 4.05Å; P125-I129 HydrophobicContact CB-CD1 4.33Å; P125-I129 VanDerWaalsContact O-CB 3.23Å; P125-I129 WeakPolarHBondContact O-CB 3.47Å; P125-I129 WeakPolarHBondContact O-CD1 3.21Å; P125-I129 WeakPolarHBondContact O-CG1 3.42Å; P125-I129 PolarHBondContact O-N 2.85Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 2.84Å; I129-V132 WeakPolarHBondContact O-CB 3.41Å; I129-V132 PolarHBondContact O-N 3.42Å; I129-L133 HydrophobicContact CG2-CD1 4.03Å; I129-L133 HydrophobicContact CG2-CG 4.31Å; I129-L133 WeakPolarHBondContact O-CG 3.41Å; I129-L133 PolarHBondContact O-N 2.71Å; I129-W140 HydrophobicContact CB-CZ3 4.18Å; I129-W140 HydrophobicContact CG2-CH2 4.3Å; I129-W140 HydrophobicContact CG2-CZ3 3.66Å; I129-L144 HydrophobicContact CG2-CB 4.07Å; I129-L144 HydrophobicContact CG2-CD1 3.89Å; I129-L145 HydrophobicContact CD1-CD2 4Å
130Q96.3Very high95.8Very high96 Ų9656.3 Ų56.345%0.44929%0.288SS..Hα-helixtrans-59.2-44.3174.2-77.4175.2-2700111.7L126 R127 V132 L133 Q134 W140L126-Q130 HydrophobicContact CD1-CG 4.18Å; L126-Q130 WeakPolarHBondContact O-CB 3.43Å; L126-Q130 WeakPolarHBondContact O-CG 3.36Å; L126-Q130 PolarHBondContact O-N 3.16Å; R127-Q130 PolarHBondContact O-N 3.13Å; Q130-V132 VanDerWaalsContact C-N 3.34Å; Q130-V132 PolarHBondContact O-N 3.01Å; Q130-L133 PolarHBondContact O-N 3.35Å; Q130-Q134 WeakPolarHBondContact O-CB 3.16Å; Q130-Q134 PolarHBondContact O-N 3.19Å; Q130-W140 HydrophobicContact CG-CE3 3.75Å; Q130-W140 HydrophobicContact CG-CZ3 3.63Å
131K96.9Very high95.6Very high92 Ų9259.5 Ų59.540%0.431%0.305SS..Hα-helixtrans-57.8-45.1174.3179.8-179.1172.1-175.10111.7L116 R127 E128 I129 Q134 F135L116-K131 HydrophobicContact CD2-CD 3.9Å; R127-K131 PolarHBondContact O-N 3.18Å; E128-K131 WeakPolarHBondContact O-CB 3.37Å; E128-K131 PolarHBondContact O-N 2.67Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 2.84Å; K131-Q134 PolarHBondContact O-N 3.48Å; K131-F135 WeakPolarHBondContact O-CB 3.44Å; K131-F135 PolarHBondContact O-N 2.96Å
132V97.7Very high95.2Very high25 Ų2562.3 Ų62.315%0.15232%0.316CS..Hα-helixtrans-60.5-48.6176.1177.80000111.5I60 L114 L116 E128 I129 Q130 Q134 F135 L136I60-V132 HydrophobicContact CD1-CG1 3.61Å; L114-V132 HydrophobicContact CD2-CG2 4.48Å; L116-V132 HydrophobicContact CD1-CG2 3.21Å; L116-V132 HydrophobicContact CG-CG2 4.47Å; E128-V132 WeakPolarHBondContact O-CG2 3.37Å; E128-V132 PolarHBondContact O-N 3.14Å; I129-V132 WeakPolarHBondContact O-CB 3.41Å; I129-V132 PolarHBondContact O-N 3.42Å; Q130-V132 VanDerWaalsContact C-N 3.34Å; Q130-V132 PolarHBondContact O-N 3.01Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 2.91Å; V132-F135 WeakPolarHBondContact O-CB 3.32Å; V132-F135 PolarHBondContact O-N 3.01Å; V132-L136 HydrophobicContact CG1-CD1 3.84Å; V132-L136 HydrophobicContact CG1-CG 4.3Å; V132-L136 WeakPolarHBondContact O-CB 3.38Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 3.47Å
133L97.3Very high94.9Very high20 Ų2069 Ų6911%0.10535%0.345CS..Hα-helixtrans-66.4-38.1-178-68.7172000112.1I129 Q130 L136 S137 L138 W140 L144I129-L133 HydrophobicContact CG2-CD1 4.03Å; I129-L133 HydrophobicContact CG2-CG 4.31Å; I129-L133 WeakPolarHBondContact O-CG 3.41Å; I129-L133 PolarHBondContact O-N 2.71Å; Q130-L133 PolarHBondContact O-N 3.35Å; L133-L136 CarbonylContact O-C 3.52Å; L133-L136 PolarHBondContact O-N 3.28Å; L133-S137 WeakPolarHBondContact O-CA 3.28Å; L133-S137 PolarHBondContact O-N 3.35Å; L133-L138 HydrophobicContact CB-CB 4.48Å; L133-L138 HydrophobicContact CD2-CB 3.71Å; L133-L138 HydrophobicContact CD2-CD1 4.26Å; L133-L138 PolarHBondContact O-N 2.9Å; L133-W140 HydrophobicContact CD1-CD2 4.49Å; L133-W140 HydrophobicContact CD1-CE3 3.58Å; L133-W140 HydrophobicContact CD1-CZ3 4.15Å; L133-L144 HydrophobicContact CD1-CD1 3.66Å; L133-L144 HydrophobicContact CD2-CD1 3.99Å; L133-L144 HydrophobicContact CG-CD1 4.24Å
134Q97.6Very high94.4Very high160 Ų16071.1 Ų71.175%0.74836%0.355SS*.Hα-helixtrans-60.3-49.6172.7-176.8-179.69.200110.6Q130 K131 V132 L136 S137Q130-Q134 WeakPolarHBondContact O-CB 3.16Å; Q130-Q134 PolarHBondContact O-N 3.19Å; K131-Q134 PolarHBondContact O-N 3.48Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 2.91Å; Q134-L136 VanDerWaalsContact C-N 3.32Å; Q134-L136 PolarHBondContact O-N 2.92Å; Q134-S137 PolarHBondContact O-N 3.01Å
135F98.3Very high93.9Very high26 Ų2671.4 Ų71.411%0.11436%0.357CS..Hα-helixtrans-56.9-44.5175.7166.3-106.4000111.8K58 I60 K112 L114 K131 V132 S137K58-F135 HydrophobicContact CB-CE1 3.85Å; K58-F135 HydrophobicContact CB-CZ 3.87Å; K58-F135 HydrophobicContact CD-CE1 4.12Å; K58-F135 HydrophobicContact CD-CE2 4.39Å; K58-F135 HydrophobicContact CD-CZ 4.03Å; K58-F135 HydrophobicContact CG-CE1 4.43Å; K58-F135 HydrophobicContact CG-CZ 4.17Å; K58-F135 PolarHBondContact NZ-O 3.37Å; I60-F135 HydrophobicContact CG1-CD1 4.23Å; I60-F135 HydrophobicContact CG1-CE1 3.9Å; K112-F135 WeakPolarHBondContact O-CZ 3.37Å; L114-F135 HydrophobicContact CB-CD1 3.78Å; L114-F135 HydrophobicContact CB-CD2 3.98Å; L114-F135 HydrophobicContact CB-CE1 3.7Å; L114-F135 HydrophobicContact CB-CE2 3.91Å; L114-F135 HydrophobicContact CB-CG 3.91Å; L114-F135 HydrophobicContact CB-CZ 3.77Å; L114-F135 HydrophobicContact CD2-CB 3.77Å; L114-F135 HydrophobicContact CD2-CD1 3.77Å; L114-F135 HydrophobicContact CD2-CE1 4.49Å; L114-F135 HydrophobicContact CD2-CG 3.77Å; L114-F135 HydrophobicContact CG-CD1 4.4Å; L114-F135 HydrophobicContact CG-CG 4.33Å; K131-F135 WeakPolarHBondContact O-CB 3.44Å; K131-F135 PolarHBondContact O-N 2.96Å; V132-F135 WeakPolarHBondContact O-CB 3.32Å; V132-F135 PolarHBondContact O-N 3.01Å; F135-S137 PolarHBondContact O-N 3.37Å
136L97.5Very high93.2Very high40 Ų4075.8 Ų75.821%0.20937%0.372CS..Hα-helixtrans-76.1-9.5177.6-65.8178.5000113.4R35 K58 I60 V132 L133 Q134 L138R35-L136 PolarHBondContact NH1-O 3.5Å; K58-L136 HydrophobicContact CB-CD2 3.96Å; K58-L136 HydrophobicContact CD-CD2 4.1Å; I60-L136 HydrophobicContact CD1-CD1 4.04Å; I60-L136 HydrophobicContact CD1-CD2 4.22Å; I60-L136 HydrophobicContact CD1-CG 4.29Å; V132-L136 HydrophobicContact CG1-CD1 3.84Å; V132-L136 HydrophobicContact CG1-CG 4.3Å; V132-L136 WeakPolarHBondContact O-CB 3.38Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 3.47Å; L133-L136 CarbonylContact O-C 3.52Å; L133-L136 PolarHBondContact O-N 3.28Å; Q134-L136 VanDerWaalsContact C-N 3.32Å; Q134-L136 PolarHBondContact O-N 2.92Å; L136-L138 HydrophobicContact CB-CB 4.48Å; L136-L138 HydrophobicContact CB-CD1 3.87Å; L136-L138 HydrophobicContact CB-CG 4.04Å; L136-L138 HydrophobicContact CD1-CD1 3.93Å
137S96.8Very high92.1Very high81 Ų8177.8 Ų77.857%0.56638%0.375SS*.THydrogen-bonded Turntrans53.954-170.5-42.60000111.7R35 L133 Q134 F135R35-S137 PolarHBondContact NH2-O 2.88Å; L133-S137 WeakPolarHBondContact O-CA 3.28Å; L133-S137 PolarHBondContact O-N 3.35Å; Q134-S137 PolarHBondContact O-N 3.01Å; F135-S137 PolarHBondContact O-N 3.37Å
138L96.1Very high90.4Very high62 Ų6273.6 Ų73.633%0.32536%0.36SS..  trans-117.9148.5177.2-76.3173.6000110.9L133 L136L133-L138 HydrophobicContact CB-CB 4.48Å; L133-L138 HydrophobicContact CD2-CB 3.71Å; L133-L138 HydrophobicContact CD2-CD1 4.26Å; L133-L138 PolarHBondContact O-N 2.9Å; L136-L138 HydrophobicContact CB-CB 4.48Å; L136-L138 HydrophobicContact CB-CD1 3.87Å; L136-L138 HydrophobicContact CB-CG 4.04Å; L136-L138 HydrophobicContact CD1-CD1 3.93Å
139P95.9Very high88.7Confident106 Ų10676.8 Ų76.869%0.68838%0.381SS*.  trans-70.3156.1174.531.5-35.1000111.3
140W94.7Very high87.1Confident84 Ų8481 Ų8132%0.31840%0.403SS..  trans-65.4140.3169.9179.3-105.6000111.8L126 I129 Q130 L133 E142 L145L126-W140 HydrophobicContact CD1-CH2 3.37Å; L126-W140 HydrophobicContact CD1-CZ2 3.66Å; L126-W140 HydrophobicContact CD1-CZ3 4Å; I129-W140 HydrophobicContact CB-CZ3 4.18Å; I129-W140 HydrophobicContact CG2-CH2 4.3Å; I129-W140 HydrophobicContact CG2-CZ3 3.66Å; Q130-W140 HydrophobicContact CG-CE3 3.75Å; Q130-W140 HydrophobicContact CG-CZ3 3.63Å; L133-W140 HydrophobicContact CD1-CD2 4.49Å; L133-W140 HydrophobicContact CD1-CE3 3.58Å; L133-W140 HydrophobicContact CD1-CZ3 4.15Å; W140-E142 VanDerWaalsContact NE1-CD 3.25Å; W140-E142 PolarHBondContact NE1-OE1 3.46Å; W140-L145 HydrophobicContact CH2-CD1 3.92Å; W140-L145 HydrophobicContact CH2-CD2 4.21Å; W140-L145 HydrophobicContact CH2-CG 3.78Å; W140-L145 HydrophobicContact CZ2-CD1 3.69Å; W140-L145 HydrophobicContact CZ2-CG 3.9Å
141D91.2Very high85.2Confident72 Ų7285.6 Ų85.639%0.38542%0.422SS..  trans-136.5118.8169.2-172.1-20.7000109.2K143 L144D141-K143 PolarHBondContact O-N 3.01Å; D141-K143 WeakPolarHBondContact OD1-CB 3.17Å; D141-K143 VanDerWaalsContact OD1-CG 3.28Å; D141-K143 WeakPolarHBondContact OD1-CG 3.48Å; D141-K143 PolarHBondContact OD1-N 2.67Å; D141-L144 HydrophobicContact CB-CD1 4.34Å; D141-L144 HydrophobicContact CB-CG 4.37Å; D141-L144 VanDerWaalsContact O-CB 3.31Å; D141-L144 WeakPolarHBondContact O-CB 3.18Å; D141-L144 VanDerWaalsContact O-CG 3.32Å; D141-L144 WeakPolarHBondContact O-CG 3.38Å; D141-L144 PolarHBondContact O-N 3.07Å
142E87.8Confident83.5Confident105 Ų10585.8 Ų85.849%0.49144%0.435SS..G310 helixtrans-56-22.7178.8-72.1-63.6155.300113.6W140 L144 L145W140-E142 VanDerWaalsContact NE1-CD 3.25Å; W140-E142 PolarHBondContact NE1-OE1 3.46Å; E142-L144 PolarHBondContact O-N 2.83Å; E142-L145 PolarHBondContact O-N 3Å
143K86.9Confident81.7Confident153 Ų15389.7 Ų89.767%0.66545%0.447SS*.G310 helixtrans-61.8-24.4175.6-66.3173.5-172.91710112.6D141 L145 K146 Y147D141-K143 PolarHBondContact O-N 3.01Å; D141-K143 WeakPolarHBondContact OD1-CB 3.17Å; D141-K143 VanDerWaalsContact OD1-CG 3.28Å; D141-K143 WeakPolarHBondContact OD1-CG 3.48Å; D141-K143 PolarHBondContact OD1-N 2.67Å; K143-L145 VanDerWaalsContact C-N 3.28Å; K143-L145 PolarHBondContact O-N 2.88Å; K143-K146 CarbonylContact O-C 3.56Å; K143-K146 PolarHBondContact O-N 2.8Å; K143-K146 VanDerWaalsContact O-N 3.07Å; K143-Y147 PolarHBondContact O-N 3.37Å
144L86.1Confident79.8Confident70 Ų7093.1 Ų93.137%0.36647%0.465SS..G310 helixtrans-65.4-30.9-179.9-64.1169.2000112.5I129 L133 D141 E142 K146I129-L144 HydrophobicContact CG2-CB 4.07Å; I129-L144 HydrophobicContact CG2-CD1 3.89Å; L133-L144 HydrophobicContact CD1-CD1 3.66Å; L133-L144 HydrophobicContact CD2-CD1 3.99Å; L133-L144 HydrophobicContact CG-CD1 4.24Å; D141-L144 HydrophobicContact CB-CD1 4.34Å; D141-L144 HydrophobicContact CB-CG 4.37Å; D141-L144 VanDerWaalsContact O-CB 3.31Å; D141-L144 WeakPolarHBondContact O-CB 3.18Å; D141-L144 VanDerWaalsContact O-CG 3.32Å; D141-L144 WeakPolarHBondContact O-CG 3.38Å; D141-L144 PolarHBondContact O-N 3.07Å; E142-L144 PolarHBondContact O-N 2.83Å; L144-K146 VanDerWaalsContact C-N 3.34Å
145L83.3Confident77.9Confident64 Ų6491.3 Ų91.334%0.33546%0.46SS..G310 helixtrans-79.6-19.3173.6-68.1178.5000113.4P125 L126 I129 W140 E142 K143P125-L145 HydrophobicContact CB-CD2 4.22Å; L126-L145 HydrophobicContact CB-CD2 4.28Å; L126-L145 HydrophobicContact CD1-CD1 4.17Å; I129-L145 HydrophobicContact CD1-CD2 4Å; W140-L145 HydrophobicContact CH2-CD1 3.92Å; W140-L145 HydrophobicContact CH2-CD2 4.21Å; W140-L145 HydrophobicContact CH2-CG 3.78Å; W140-L145 HydrophobicContact CZ2-CD1 3.69Å; W140-L145 HydrophobicContact CZ2-CG 3.9Å; E142-L145 PolarHBondContact O-N 3Å; K143-L145 VanDerWaalsContact C-N 3.28Å; K143-L145 PolarHBondContact O-N 2.88Å
146K77.9Confident76.3Confident127 Ų12793.9 Ų93.955%0.55247%0.472SS*.G310 helixtrans-98.69.3-178.8-62178.5-176.1177.20111.9K143 L144 G148 T149K143-K146 CarbonylContact O-C 3.56Å; K143-K146 PolarHBondContact O-N 2.8Å; K143-K146 VanDerWaalsContact O-N 3.07Å; L144-K146 VanDerWaalsContact C-N 3.34Å; K146-G148 PolarHBondContact O-N 2.03Å; K146-T149 HydrophobicContact CB-CG2 4.2Å; K146-T149 WeakPolarHBondContact O-CB 3.21Å; K146-T149 WeakPolarHBondContact O-CG2 3.41Å; K146-T149 PolarHBondContact O-N 3.2Å; K146-T149 PolarHBondContact O-OG1 2.98Å
147Y69.9Low75.1Confident123 Ų12395.2 Ų95.248%0.48248%0.479SS..THydrogen-bonded Turntrans-60127.4176.1-168.4-91.6000109.6K143 R153 Q156K143-Y147 PolarHBondContact O-N 3.37Å; Y147-R153 PolarHBondContact OH-NH1 3.3Å; Y147-Q156 HydrophobicContact CD1-CB 4.5Å; Y147-Q156 HydrophobicContact CE1-CB 4.1Å; Y147-Q156 PolarHBondContact OH-OE1 3.41Å
148G59.4Low74.3Confident4 Ų495.2 Ų95.24%0.04147%0.473CS..THydrogen-bonded Turntrans89.1-4.7-17500000115.7K146 D150 R153 I154 L157K146-G148 PolarHBondContact O-N 2.03Å; G148-D150 VanDerWaalsContact C-N 3.28Å; G148-D150 PolarHBondContact O-N 2.64Å; G148-R153 CarbonylContact C-O 3.6Å; G148-R153 WeakPolarHBondContact CA-O 3.49Å; G148-R153 CarbonylContact O-C 3.56Å; G148-R153 VanDerWaalsContact O-O 3.08Å; G148-I154 WeakPolarHBondContact O-CA 3.18Å; G148-I154 PolarHBondContact O-N 3Å; G148-L157 VanDerWaalsContact C-CD2 3.46Å; G148-L157 WeakPolarHBondContact O-CD2 3.25Å
149T59.9Low73.7Confident78 Ų7895.9 Ų95.948%0.47947%0.474SS..  trans-77.4-15177.163.90000113.6K146 L157K146-T149 HydrophobicContact CB-CG2 4.2Å; K146-T149 WeakPolarHBondContact O-CB 3.21Å; K146-T149 WeakPolarHBondContact O-CG2 3.41Å; K146-T149 PolarHBondContact O-N 3.2Å; K146-T149 PolarHBondContact O-OG1 2.98Å; T149-L157 HydrophobicContact CG2-CD2 3.7Å
150D61.1Low73.4Confident112 Ų11298 Ų9860%0.59947%0.468SS*.SBendtrans-68.9133.6170-69.6-22.8000109.1G148 S152 R153G148-D150 VanDerWaalsContact C-N 3.28Å; G148-D150 PolarHBondContact O-N 2.64Å; D150-S152 PolarHBondContact O-N 2.9Å; D150-R153 PolarHBondContact O-N 2.76Å
151F57.4Low73.1Confident194 Ų19499.5 Ų99.585%0.85148%0.482SS*.G310 helixtrans-49.9-24.7-175.3-77.6-83.5000114.6R153 I154F151-R153 VanDerWaalsContact C-N 3.29Å; F151-R153 PolarHBondContact O-N 3.21Å; F151-I154 HydrophobicContact CD1-CD1 4.01Å
152S60Low73.2Confident96 Ų9697.3 Ų97.367%0.67147%0.473SS*.G310 helixtrans-73.7-10.7176.555.40000115.4D150D150-S152 PolarHBondContact O-N 2.9Å
153R60.3Low73.5Confident107 Ų10793 Ų9340%0.40445%0.453SS..G310 helixtrans-139.725.5-168.6-64.7179.9-173.4-160.64.3112.9Y147 G148 D150 F151 D155 Q156Y147-R153 PolarHBondContact OH-NH1 3.3Å; G148-R153 CarbonylContact C-O 3.6Å; G148-R153 WeakPolarHBondContact CA-O 3.49Å; G148-R153 CarbonylContact O-C 3.56Å; G148-R153 VanDerWaalsContact O-O 3.08Å; D150-R153 PolarHBondContact O-N 2.76Å; F151-R153 VanDerWaalsContact C-N 3.29Å; F151-R153 PolarHBondContact O-N 3.21Å; R153-D155 WeakPolarHBondContact CA-OD1 3.32Å; R153-D155 PolarHBondContact O-N 3.24Å; R153-Q156 HydrophobicContact CB-CB 4.26Å; R153-Q156 HydrophobicContact CB-CG 4.09Å; R153-Q156 WeakPolarHBondContact O-CA 3Å; R153-Q156 VanDerWaalsContact O-CB 3.24Å; R153-Q156 WeakPolarHBondContact O-CB 3Å; R153-Q156 PolarHBondContact O-N 3.46Å
154I57.3Low73.7Confident91 Ų9189.1 Ų89.147%0.46744%0.439SS..G310 helixtrans-58-33.3-178.5-65.9173.6000111.3G148 F151 Q156 L157G148-I154 WeakPolarHBondContact O-CA 3.18Å; G148-I154 PolarHBondContact O-N 3Å; F151-I154 HydrophobicContact CD1-CD1 4.01Å; I154-Q156 PolarHBondContact O-N 2.87Å; I154-Q156 VanDerWaalsContact O-N 3.17Å; I154-L157 HydrophobicContact CG2-CD1 4Å; I154-L157 WeakPolarHBondContact O-CB 3.46Å; I154-L157 WeakPolarHBondContact O-CG 3.49Å; I154-L157 PolarHBondContact O-N 2.94Å; I154-L157 VanDerWaalsContact O-N 3.13Å
155D59.2Low74.1Confident123 Ų12387.8 Ų87.866%0.65844%0.439SS*.G310 helixtrans-61.7-15.3172.463.7-42.4000113.7R153R153-D155 WeakPolarHBondContact CA-OD1 3.32Å; R153-D155 PolarHBondContact O-N 3.24Å
156Q64.3Low74.6Confident79 Ų7985 Ų8537%0.36942%0.424SS..G310 helixtrans-101.24.3179.1-48.8-177.1-0.800112.9Y147 R153 I154 I158Y147-Q156 HydrophobicContact CD1-CB 4.5Å; Y147-Q156 HydrophobicContact CE1-CB 4.1Å; Y147-Q156 PolarHBondContact OH-OE1 3.41Å; R153-Q156 HydrophobicContact CB-CB 4.26Å; R153-Q156 HydrophobicContact CB-CG 4.09Å; R153-Q156 WeakPolarHBondContact O-CA 3Å; R153-Q156 VanDerWaalsContact O-CB 3.24Å; R153-Q156 WeakPolarHBondContact O-CB 3Å; R153-Q156 PolarHBondContact O-N 3.46Å; I154-Q156 PolarHBondContact O-N 2.87Å; I154-Q156 VanDerWaalsContact O-N 3.17Å; Q156-I158 PolarHBondContact O-N 3.11Å
157L72.5Confident75.3Confident68 Ų6881 Ų8136%0.35641%0.411SS..SBendtrans-61.2135.8171.7-73.4172.9000109.9G148 T149 I154 H159G148-L157 VanDerWaalsContact C-CD2 3.46Å; G148-L157 WeakPolarHBondContact O-CD2 3.25Å; T149-L157 HydrophobicContact CG2-CD2 3.7Å; I154-L157 HydrophobicContact CG2-CD1 4Å; I154-L157 WeakPolarHBondContact O-CB 3.46Å; I154-L157 WeakPolarHBondContact O-CG 3.49Å; I154-L157 PolarHBondContact O-N 2.94Å; I154-L157 VanDerWaalsContact O-N 3.13Å; L157-H159 PolarHBondContact O-CD2 2.86Å; L157-H159 PolarHBondContact O-N 3.49Å
158I78.1Confident76.2Confident82 Ų8280 Ų8042%0.42141%0.409SS..  trans-62.4112.2173.4-58.5178.5000108.1V122 P125 Q156V122-I158 HydrophobicContact CB-CG2 4.33Å; V122-I158 HydrophobicContact CG1-CG2 4.2Å; V122-I158 HydrophobicContact CG2-CG2 4.34Å; P125-I158 HydrophobicContact CB-CD1 3.76Å; Q156-I158 PolarHBondContact O-N 3.11Å
159H83.5Confident77.4Confident75 Ų7589.9 Ų89.935%0.34745%0.454SS..  trans-132.6156.2-178.267.162.9000111.3V122 L157 N161V122-H159 VanDerWaalsContact CG1-O 3.27Å; V122-H159 WeakPolarHBondContact CG1-O 3.34Å; L157-H159 PolarHBondContact O-CD2 2.86Å; L157-H159 PolarHBondContact O-N 3.49Å; H159-N161 PolarHBondContact ND1-N 3.39Å
160R90.1Very high78.6Confident151 Ų15192.6 Ų92.657%0.5747%0.466SS*.SBendtrans-88.8-7.7-174.7-65.3-178.5-179.2-172.9-2.3114.5V122 S162 L163V122-R160 HydrophobicContact CG1-CG 3.97Å; R160-S162 PolarHBondContact O-N 2.99Å; R160-L163 HydrophobicContact CB-CD1 3.91Å; R160-L163 HydrophobicContact CG-CD1 4Å; R160-L163 WeakPolarHBondContact O-CB 3.48Å; R160-L163 WeakPolarHBondContact O-CG 3.5Å; R160-L163 PolarHBondContact O-N 3.16Å
161N89.6Confident79.8Confident116 Ų11688.7 Ų88.762%0.6245%0.447SS*.THydrogen-bonded Turntrans-57.3-23.7-171.3-58.9-8000115.2H159H159-N161 PolarHBondContact ND1-N 3.39Å
162S92.2Very high81.1Confident26 Ų2683.3 Ų83.318%0.18243%0.427CS..THydrogen-bonded Turntrans-96.3-2-177.9-52.80000113.6R64 R160R64-S162 PolarHBondContact NH2-O 3.46Å; R160-S162 PolarHBondContact O-N 2.99Å
163L93.8Very high82.5Confident15 Ų1579.2 Ų79.28%0.07940%0.398CS..SBendtrans-66.2-47.3-177.6-69.5175.5000111.1Y118 E119 V122 L123 R160 W166 Y202Y118-L163 HydrophobicContact CD1-CD2 4.42Å; Y118-L163 HydrophobicContact CE1-CD2 3.99Å; E119-L163 HydrophobicContact CB-CD2 3.91Å; E119-L163 HydrophobicContact CG-CD2 3.81Å; V122-L163 HydrophobicContact CB-CD2 4.18Å; V122-L163 HydrophobicContact CG1-CD1 4.12Å; V122-L163 HydrophobicContact CG1-CD2 4.19Å; V122-L163 HydrophobicContact CG1-CG 4.21Å; L123-L163 HydrophobicContact CD2-CD1 3.77Å; L123-L163 HydrophobicContact CG-CD1 4.08Å; R160-L163 HydrophobicContact CB-CD1 3.91Å; R160-L163 HydrophobicContact CG-CD1 4Å; R160-L163 WeakPolarHBondContact O-CB 3.48Å; R160-L163 WeakPolarHBondContact O-CG 3.5Å; R160-L163 PolarHBondContact O-N 3.16Å; L163-W166 PolarHBondContact O-NE1 3.18Å; L163-Y202 HydrophobicContact CB-CD2 4.26Å; L163-Y202 HydrophobicContact CB-CE2 4.34Å; L163-Y202 VanDerWaalsContact O-CE2 3.27Å; L163-Y202 WeakPolarHBondContact O-CE2 3.38Å
164D92.8Very high84Confident70 Ų7076.5 Ų76.537%0.37440%0.395SS..SBendtrans-117.98.8-17361.40.4000113.4W166 S167 P199D164-W166 PolarHBondContact O-N 3.34Å; D164-W166 VanDerWaalsContact O-N 3.07Å; D164-S167 PolarHBondContact O-N 2.88Å; D164-S167 PolarHBondContact O-OG 3.41Å; D164-P199 HydrophobicContact CB-CG 3.96Å
165A93.1Very high85.6Confident43 Ų4380.3 Ų80.336%0.35541%0.411SS..G310 helixtrans-57.5-29.8-177.200000113.2S167A165-S167 VanDerWaalsContact C-N 3.28Å; A165-S167 PolarHBondContact O-N 2.69Å
166W94.2Very high87.2Confident6 Ų681.4 Ų81.42%0.02341%0.412CS..G310 helixtrans-74.1-15.1-179.766.7-90.1000114R67 A68 A71 L163 D164 S171 I178 I198 P199 Y202R67-W166 HydrophobicContact CB-CD2 3.68Å; R67-W166 HydrophobicContact CB-CE3 3.54Å; R67-W166 HydrophobicContact CB-CG 4.36Å; R67-W166 HydrophobicContact CB-CH2 3.98Å; R67-W166 HydrophobicContact CB-CZ2 4.1Å; R67-W166 HydrophobicContact CB-CZ3 3.72Å; R67-W166 VanDerWaalsContact CD-CH2 3.41Å; R67-W166 HydrophobicContact CG-CE3 4.38Å; R67-W166 HydrophobicContact CG-CH2 4.27Å; R67-W166 HydrophobicContact CG-CZ3 4.1Å; R67-W166 VanDerWaalsContact NE-CH2 3.26Å; A68-W166 HydrophobicContact CB-CG 4.07Å; A71-W166 HydrophobicContact CB-CB 3.8Å; L163-W166 PolarHBondContact O-NE1 3.18Å; D164-W166 PolarHBondContact O-N 3.34Å; D164-W166 VanDerWaalsContact O-N 3.07Å; W166-S171 WeakPolarHBondContact CA-OG 3.45Å; W166-S171 WeakPolarHBondContact O-CB 3.48Å; W166-S171 PolarHBondContact O-OG 2.96Å; W166-I178 HydrophobicContact CE3-CD1 4.39Å; W166-I178 HydrophobicContact CZ3-CD1 3.9Å; W166-I178 HydrophobicContact CZ3-CG1 4.07Å; W166-I198 HydrophobicContact CH2-CG2 3.88Å; W166-I198 HydrophobicContact CZ3-CG2 4.05Å; W166-P199 HydrophobicContact CH2-CB 4.02Å; W166-P199 HydrophobicContact CZ2-CB 3.45Å; W166-P199 VanDerWaalsContact CZ2-CB 3.45Å; W166-Y202 WeakPolarHBondContact CZ2-OH 3.49Å; W166-Y202 PolarHBondContact NE1-OH 3.42Å
167S92.2Very high88.7Confident41 Ų4180.5 Ų80.529%0.28741%0.406SS..G310 helixtrans-100.63.8-179.868.90000113.2D164 A165 P199D164-S167 PolarHBondContact O-N 2.88Å; D164-S167 PolarHBondContact O-OG 3.41Å; A165-S167 VanDerWaalsContact C-N 3.28Å; A165-S167 PolarHBondContact O-N 2.69Å; S167-P199 WeakPolarHBondContact OG-CD 3.34Å; S167-P199 WeakPolarHBondContact OG-CG 3.09Å
168K90.2Very high89.7Confident103 Ų10378.3 Ų78.345%0.44839%0.394SS..SBendtrans-77.8156.6177-64.9179.2-177.9173.50110.6D170 S171K168-D170 WeakPolarHBondContact CB-OD1 3.16Å; K168-D170 PolarHBondContact O-N 2.85Å; K168-D170 VanDerWaalsContact O-N 3.13Å; K168-S171 WeakPolarHBondContact O-CB 3.37Å; K168-S171 PolarHBondContact O-N 3.33Å
169E84.3Confident90.4Very high211 Ų21180.3 Ų80.399%0.98640%0.4SS*.THydrogen-bonded Turntrans-58.3-26.9-176.9-66.4-178.817900113.7S171E169-S171 VanDerWaalsContact C-N 3.33Å
170D84.6Confident91Very high136 Ų13679.2 Ų79.273%0.72739%0.394SS*.THydrogen-bonded Turntrans-88.44.2178.464.3-28.9000113.9K168K168-D170 WeakPolarHBondContact CB-OD1 3.16Å; K168-D170 PolarHBondContact O-N 2.85Å; K168-D170 VanDerWaalsContact O-N 3.13Å
171S85.3Confident91.3Very high29 Ų2972.1 Ų72.120%0.20337%0.367CS..  trans-70.6147.1177.5-177.10000112.3W166 K168 E169 L173W166-S171 WeakPolarHBondContact CA-OG 3.45Å; W166-S171 WeakPolarHBondContact O-CB 3.48Å; W166-S171 PolarHBondContact O-OG 2.96Å; K168-S171 WeakPolarHBondContact O-CB 3.37Å; K168-S171 PolarHBondContact O-N 3.33Å; E169-S171 VanDerWaalsContact C-N 3.33Å; S171-L173 PolarHBondContact O-N 3.14Å; S171-L173 PolarHBondContact OG-N 2.83Å
172L85.9Confident91.5Very high82 Ų8268.8 Ų68.843%0.42935%0.35SS..SBendtrans-69.5-20.3173.9-65.8172.3000112.9I74 A75 S174I74-L172 HydrophobicContact CB-CD1 4.22Å; I74-L172 HydrophobicContact CG2-CD1 3.6Å; A75-L172 HydrophobicContact CB-CD1 4.2Å; L172-S174 PolarHBondContact O-N 3.03Å
173L89.8Confident91.6Very high10 Ų1073.8 Ų73.85%0.05237%0.37CS..  trans-85.494.9178.1-70-177.4000110.3R67 V70 A71 I87 S171 I178R67-L173 HydrophobicContact CB-CD1 3.84Å; R67-L173 HydrophobicContact CG-CD1 4.49Å; R67-L173 WeakPolarHBondContact O-CD1 3.27Å; V70-L173 HydrophobicContact CG1-CD2 4.24Å; A71-L173 HydrophobicContact CB-CD1 3.91Å; A71-L173 HydrophobicContact CB-CG 4.06Å; I87-L173 HydrophobicContact CG2-CD2 3.61Å; S171-L173 PolarHBondContact O-N 3.14Å; S171-L173 PolarHBondContact OG-N 2.83Å; L173-I178 HydrophobicContact CB-CG1 4.26Å
174S90.7Very high91.7Very high49 Ų4976.7 Ų76.734%0.34339%0.386SS..  trans-61.1163.5169.170.10000112L172 E176 Y177 I178L172-S174 PolarHBondContact O-N 3.03Å; S174-E176 PolarHBondContact O-N 3.41Å; S174-E176 VanDerWaalsContact O-N 3.16Å; S174-Y177 PolarHBondContact O-N 3.32Å; S174-Y177 WeakPolarHBondContact OG-CD2 2.99Å; S174-Y177 PolarHBondContact OG-N 3.43Å; S174-I178 WeakPolarHBondContact O-CG1 3.4Å; S174-I178 PolarHBondContact O-N 2.65Å
175E91.1Very high91.9Very high171 Ų17173.6 Ų73.680%0.79937%0.37SS*.Hα-helixtrans-53.9-33.4173.6-66.9-177.1175.800112.6I178 K179E175-I178 PolarHBondContact O-N 2.82Å; E175-K179 VanDerWaalsContact O-CB 3.29Å; E175-K179 WeakPolarHBondContact O-CB 3.48Å; E175-K179 PolarHBondContact O-N 3.4Å
176E93.4Very high92Very high147 Ų14777 Ų7769%0.68738%0.381SS*.Hα-helixtrans-62-47.8176-177-178.2177.700111.6S174 K179 F180S174-E176 PolarHBondContact O-N 3.41Å; S174-E176 VanDerWaalsContact O-N 3.16Å; E176-K179 PolarHBondContact O-N 2.89Å; E176-F180 WeakPolarHBondContact O-CB 3.13Å; E176-F180 PolarHBondContact O-N 3.2Å
177Y94.5Very high92.1Very high60 Ų6076.7 Ų76.724%0.23538%0.38CS..Hα-helixtrans-69.8-36.2178.4-66-58.1000112.5I87 S174 K179 F180 M181I87-Y177 HydrophobicContact CB-CD1 3.99Å; I87-Y177 HydrophobicContact CB-CD2 4.42Å; I87-Y177 HydrophobicContact CB-CE1 3.77Å; I87-Y177 HydrophobicContact CB-CE2 4.22Å; I87-Y177 HydrophobicContact CB-CG 4.32Å; I87-Y177 HydrophobicContact CD1-CD2 4.06Å; I87-Y177 HydrophobicContact CD1-CE2 3.68Å; I87-Y177 HydrophobicContact CG1-CE2 4.35Å; I87-Y177 HydrophobicContact CG2-CD1 3.73Å; I87-Y177 HydrophobicContact CG2-CD2 4.02Å; I87-Y177 HydrophobicContact CG2-CE1 4.05Å; I87-Y177 HydrophobicContact CG2-CE2 4.32Å; I87-Y177 HydrophobicContact CG2-CG 3.72Å; S174-Y177 PolarHBondContact O-N 3.32Å; S174-Y177 WeakPolarHBondContact OG-CD2 2.99Å; S174-Y177 PolarHBondContact OG-N 3.43Å; Y177-K179 VanDerWaalsContact C-N 3.33Å; Y177-F180 PolarHBondContact O-N 3.3Å; Y177-M181 WeakPolarHBondContact O-CB 3.49Å; Y177-M181 PolarHBondContact O-N 3.48Å
178I93.7Very high92.4Very high21 Ų2174.8 Ų74.811%0.10837%0.367CS..Hα-helixtrans-61.8-45.3174-65.9168.1000109.9W166 L173 S174 E175 M181 N182 I198W166-I178 HydrophobicContact CE3-CD1 4.39Å; W166-I178 HydrophobicContact CZ3-CD1 3.9Å; W166-I178 HydrophobicContact CZ3-CG1 4.07Å; L173-I178 HydrophobicContact CB-CG1 4.26Å; S174-I178 WeakPolarHBondContact O-CG1 3.4Å; S174-I178 PolarHBondContact O-N 2.65Å; E175-I178 PolarHBondContact O-N 2.82Å; I178-M181 PolarHBondContact O-N 3.03Å; I178-N182 WeakPolarHBondContact O-CB 3.28Å; I178-N182 VanDerWaalsContact O-CG 3.28Å; I178-N182 PolarHBondContact O-N 3.19Å; I178-N182 PolarHBondContact O-OD1 3.28Å; I178-I198 HydrophobicContact CD1-CG2 4.44Å; I178-I198 HydrophobicContact CG2-CD1 4.45Å; I178-I198 HydrophobicContact CG2-CG2 4.19Å
179K94Very high92.6Very high124 Ų12476.9 Ų76.954%0.53938%0.376SS..Hα-helixtrans-62.5-48.4176.4-178.1-179.5172.6-174.50111.3E175 E176 Y177 M181 N182 E183E175-K179 VanDerWaalsContact O-CB 3.29Å; E175-K179 WeakPolarHBondContact O-CB 3.48Å; E175-K179 PolarHBondContact O-N 3.4Å; E176-K179 PolarHBondContact O-N 2.89Å; Y177-K179 VanDerWaalsContact C-N 3.33Å; K179-M181 VanDerWaalsContact C-N 3.27Å; K179-M181 PolarHBondContact O-N 3.09Å; K179-N182 PolarHBondContact O-N 3.44Å; K179-E183 WeakPolarHBondContact CE-OE1 3.39Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 2.77Å; K179-E183 WeakPolarHBondContact O-CG 3.21Å; K179-E183 PolarHBondContact O-N 2.84Å
180F95.9Very high93.2Very high53 Ų5371.6 Ų71.623%0.23235%0.351CS..Hα-helixtrans-54.2-46.7176.3179.1-90000111.1T88 I91 L92 E176 Y177 E183 N184T88-F180 HydrophobicContact CG2-CD1 4Å; T88-F180 HydrophobicContact CG2-CD2 4.27Å; T88-F180 HydrophobicContact CG2-CE1 3.4Å; T88-F180 HydrophobicContact CG2-CE2 3.7Å; T88-F180 HydrophobicContact CG2-CG 4.42Å; T88-F180 HydrophobicContact CG2-CZ 3.23Å; I91-F180 HydrophobicContact CB-CD1 4.49Å; I91-F180 HydrophobicContact CB-CE1 4.44Å; I91-F180 HydrophobicContact CD1-CD1 4.06Å; I91-F180 HydrophobicContact CG2-CD1 4.08Å; I91-F180 HydrophobicContact CG2-CE1 4.06Å; L92-F180 HydrophobicContact CD2-CE1 4.17Å; L92-F180 HydrophobicContact CD2-CZ 4.18Å; L92-F180 HydrophobicContact CG-CE1 4.28Å; L92-F180 HydrophobicContact CG-CZ 4.37Å; E176-F180 WeakPolarHBondContact O-CB 3.13Å; E176-F180 PolarHBondContact O-N 3.2Å; Y177-F180 PolarHBondContact O-N 3.3Å; F180-E183 PolarHBondContact O-N 3.01Å; F180-N184 WeakPolarHBondContact CD2-ND2 3.46Å; F180-N184 HydrophobicContact CE1-CB 4.29Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.25Å; F180-N184 HydrophobicContact CZ-CB 4.28Å; F180-N184 WeakPolarHBondContact O-CB 3.44Å; F180-N184 PolarHBondContact O-N 2.98Å; F180-N184 PolarHBondContact O-ND2 3.39Å
181M95.3Very high93.7Very high1 Ų165.6 Ų65.61%0.00532%0.319CS..Hα-helixtrans-65.4-42.2179.8-166.8165.9-168.600112.4R67 I91 W94 Y177 I178 K179 E183 N184 S185 L188R67-M181 HydrophobicContact CB-SD 4.2Å; R67-M181 HydrophobicContact CG-CG 4.25Å; R67-M181 HydrophobicContact CG-SD 3.34Å; R67-M181 WeakPolarHBondContact CG-SD 3.4Å; I91-M181 HydrophobicContact CD1-CB 4.16Å; I91-M181 HydrophobicContact CG1-CB 4.45Å; I91-M181 HydrophobicContact CG1-CG 4.41Å; I91-M181 HydrophobicContact CG1-SD 4.03Å; I91-M181 HydrophobicContact CG2-CB 3.91Å; I91-M181 HydrophobicContact CG2-CE 4.23Å; I91-M181 HydrophobicContact CG2-CG 3.59Å; I91-M181 HydrophobicContact CG2-SD 4.08Å; W94-M181 HydrophobicContact CD2-CE 3.92Å; W94-M181 HydrophobicContact CE3-CE 3.19Å; W94-M181 HydrophobicContact CH2-CE 4.24Å; W94-M181 HydrophobicContact CZ3-CE 3.38Å; Y177-M181 WeakPolarHBondContact O-CB 3.49Å; Y177-M181 PolarHBondContact O-N 3.48Å; I178-M181 PolarHBondContact O-N 3.03Å; K179-M181 VanDerWaalsContact C-N 3.27Å; K179-M181 PolarHBondContact O-N 3.09Å; M181-E183 VanDerWaalsContact C-N 3.27Å; M181-E183 PolarHBondContact O-N 3.15Å; M181-N184 PolarHBondContact O-N 3.46Å; M181-S185 WeakPolarHBondContact O-CB 3.4Å; M181-S185 PolarHBondContact O-N 2.99Å; M181-L188 HydrophobicContact CB-CD1 4.5Å; M181-L188 HydrophobicContact CE-CD1 4.02Å; M181-L188 HydrophobicContact CE-CD2 4.41Å; M181-L188 HydrophobicContact CE-CG 4.15Å; M181-L188 HydrophobicContact CG-CD1 3.56Å; M181-L188 HydrophobicContact SD-CD1 4.14Å
182N94Very high94.2Very high47 Ų4766 Ų6625%0.25133%0.327SS..Hα-helixtrans-63.6-31.8176.9-73.3-3.5000112.9R67 I178 K179 L194R67-N182 PolarHBondContact NH1-OD1 2.97Å; I178-N182 WeakPolarHBondContact O-CB 3.28Å; I178-N182 VanDerWaalsContact O-CG 3.28Å; I178-N182 PolarHBondContact O-N 3.19Å; I178-N182 PolarHBondContact O-OD1 3.28Å; K179-N182 PolarHBondContact O-N 3.44Å; N182-L194 HydrophobicContact CB-CD2 4.01Å
183E94.9Very high94.7Very high130 Ų13062.1 Ų62.161%0.60731%0.307SS*.Hα-helixtrans-82.5-31.3-179-72.4175.4170.100113.3K179 F180 M181K179-E183 WeakPolarHBondContact CE-OE1 3.39Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 2.77Å; K179-E183 WeakPolarHBondContact O-CG 3.21Å; K179-E183 PolarHBondContact O-N 2.84Å; F180-E183 PolarHBondContact O-N 3.01Å; M181-E183 VanDerWaalsContact C-N 3.27Å; M181-E183 PolarHBondContact O-N 3.15Å
184N95.9Very high95Very high76 Ų7664.7 Ų64.741%0.40632%0.321SS..Hα-helixtrans-110.3-12.7-169.2-65.3-85.2000114.6F180 M181F180-N184 WeakPolarHBondContact CD2-ND2 3.46Å; F180-N184 HydrophobicContact CE1-CB 4.29Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.25Å; F180-N184 HydrophobicContact CZ-CB 4.28Å; F180-N184 WeakPolarHBondContact O-CB 3.44Å; F180-N184 PolarHBondContact O-N 2.98Å; F180-N184 PolarHBondContact O-ND2 3.39Å; M181-N184 PolarHBondContact O-N 3.46Å
185S96.2Very high95Very high6 Ų664.8 Ų64.84%0.04232%0.319CS..  trans-89.5114.3-174.5174.60000113.5W94 D95 M181 L188W94-S185 WeakPolarHBondContact CZ3-OG 3.39Å; D95-S185 WeakPolarHBondContact OD1-CA 3.34Å; D95-S185 VanDerWaalsContact OD1-CB 3.26Å; D95-S185 WeakPolarHBondContact OD1-CB 3.3Å; D95-S185 PolarHBondContact OD1-OG 3.4Å; M181-S185 WeakPolarHBondContact O-CB 3.4Å; M181-S185 PolarHBondContact O-N 2.99Å; S185-L188 WeakPolarHBondContact OG-CB 3.48Å; S185-L188 VanDerWaalsContact OG-CG 3.31Å; S185-L188 WeakPolarHBondContact OG-CG 3.36Å; S185-L188 PolarHBondContact OG-N 2.84Å
186L95.2Very high95Very high114 Ų11465 Ų6560%0.59733%0.326SS*.Hα-helixtrans-71.7-39.8170.4-65.8178.4000111.3D95 K189 Q190D95-L186 PolarHBondContact OD1-N 2.91Å; D95-L186 PolarHBondContact OD2-N 2.88Å; L186-K189 WeakPolarHBondContact O-CB 3.41Å; L186-K189 PolarHBondContact O-N 3.41Å; L186-Q190 WeakPolarHBondContact O-CB 3.34Å; L186-Q190 PolarHBondContact O-N 3.27Å
187A97.4Very high94.9Very high0 Ų063.9 Ų63.90%032%0.321CS..Hα-helixtrans-64.3-43.3-178.900000111.8W94 D95 T98 K189 Q190 L191W94-A187 HydrophobicContact CH2-CB 3.78Å; W94-A187 HydrophobicContact CZ3-CB 3.87Å; D95-A187 VanDerWaalsContact OD1-CB 3.25Å; D95-A187 WeakPolarHBondContact OD1-CB 3.2Å; D95-A187 PolarHBondContact OD1-N 2.86Å; T98-A187 HydrophobicContact CG2-CB 3.87Å; A187-K189 VanDerWaalsContact C-N 3.26Å; A187-K189 PolarHBondContact O-N 2.87Å; A187-Q190 PolarHBondContact O-N 3.16Å; A187-L191 WeakPolarHBondContact O-CB 3.31Å; A187-L191 WeakPolarHBondContact O-CG 3.23Å; A187-L191 PolarHBondContact O-N 3.35Å
188L97Very high94.8Very high0 Ų064.5 Ų64.50%033%0.327CS..Hα-helixtrans-58.9-40.3175.1-76.4-174.5000111.6W94 M181 S185 L191 G192 Y193 L194W94-L188 HydrophobicContact CH2-CD2 3.71Å; W94-L188 HydrophobicContact CH2-CG 3.92Å; W94-L188 HydrophobicContact CZ3-CD2 4.1Å; W94-L188 HydrophobicContact CZ3-CG 3.87Å; M181-L188 HydrophobicContact CB-CD1 4.5Å; M181-L188 HydrophobicContact CE-CD1 4.02Å; M181-L188 HydrophobicContact CE-CD2 4.41Å; M181-L188 HydrophobicContact CE-CG 4.15Å; M181-L188 HydrophobicContact CG-CD1 3.56Å; M181-L188 HydrophobicContact SD-CD1 4.14Å; S185-L188 WeakPolarHBondContact OG-CB 3.48Å; S185-L188 VanDerWaalsContact OG-CG 3.31Å; S185-L188 WeakPolarHBondContact OG-CG 3.36Å; S185-L188 PolarHBondContact OG-N 2.84Å; L188-L191 CarbonylContact O-C 3.36Å; L188-G192 PolarHBondContact O-N 2.88Å; L188-G192 VanDerWaalsContact O-N 3.08Å; L188-Y193 HydrophobicContact CD2-CD2 3.78Å; L188-Y193 HydrophobicContact CD2-CG 4.08Å; L188-Y193 PolarHBondContact O-N 3.05Å; L188-L194 HydrophobicContact CB-CD2 3.73Å; L188-L194 HydrophobicContact CB-CG 4.02Å; L188-L194 HydrophobicContact CD1-CD2 3.92Å
189K95.7Very high94.8Very high147 Ų14765.3 Ų65.364%0.63933%0.334SS*.Hα-helixtrans-66.7-51.6178.1-173.1178.5176.3-1790111.5L186 A187 L191 G192 L194L186-K189 WeakPolarHBondContact O-CB 3.41Å; L186-K189 PolarHBondContact O-N 3.41Å; A187-K189 VanDerWaalsContact C-N 3.26Å; A187-K189 PolarHBondContact O-N 2.87Å; K189-L191 PolarHBondContact O-N 3.03Å; K189-G192 PolarHBondContact O-N 3.43Å; K189-L194 HydrophobicContact CB-CD1 3.61Å; K189-L194 HydrophobicContact CB-CG 4.33Å; K189-L194 HydrophobicContact CG-CD1 4.09Å
190Q95.6Very high94.8Very high101 Ų10159.5 Ų59.547%0.47231%0.309SS..Hα-helixtrans-58.2-37.9178.5-176.5-178.92.300111.2L186 A187 G192L186-Q190 WeakPolarHBondContact O-CB 3.34Å; L186-Q190 PolarHBondContact O-N 3.27Å; A187-Q190 PolarHBondContact O-N 3.16Å; Q190-G192 VanDerWaalsContact C-N 3.3Å; Q190-G192 PolarHBondContact O-N 3.36Å
191L96.3Very high94.8Very high9 Ų960.6 Ų60.65%0.04732%0.317CS..THydrogen-bonded Turntrans-83.72.8177.4-64.2172.6000112.9V63 T98 L102 R117 A187 L188 K189 Y193V63-L191 HydrophobicContact CB-CD1 4.03Å; V63-L191 HydrophobicContact CB-CD2 4.43Å; V63-L191 HydrophobicContact CG1-CD1 4.17Å; V63-L191 HydrophobicContact CG1-CD2 4.37Å; V63-L191 HydrophobicContact CG2-CD1 4.39Å; V63-L191 HydrophobicContact CG2-CD2 4.04Å; T98-L191 HydrophobicContact CG2-CD1 4.03Å; L102-L191 HydrophobicContact CD1-CD1 4.17Å; L102-L191 HydrophobicContact CD1-CD2 4Å; L102-L191 HydrophobicContact CD1-CG 4.02Å; L102-L191 HydrophobicContact CD2-CD2 4.16Å; R117-L191 PolarHBondContact NH1-O 2.86Å; R117-L191 VanDerWaalsContact NH2-C 3.34Å; R117-L191 PolarHBondContact NH2-O 3.11Å; A187-L191 WeakPolarHBondContact O-CB 3.31Å; A187-L191 WeakPolarHBondContact O-CG 3.23Å; A187-L191 PolarHBondContact O-N 3.35Å; L188-L191 CarbonylContact O-C 3.36Å; K189-L191 PolarHBondContact O-N 3.03Å; L191-Y193 HydrophobicContact CB-CD2 3.48Å; L191-Y193 VanDerWaalsContact CB-CD2 3.48Å; L191-Y193 HydrophobicContact CB-CE2 3.5Å; L191-Y193 VanDerWaalsContact CB-CE2 3.5Å; L191-Y193 HydrophobicContact CB-CG 4.44Å; L191-Y193 HydrophobicContact CD1-CD2 4.22Å; L191-Y193 HydrophobicContact CD1-CE2 3.78Å; L191-Y193 HydrophobicContact CG-CE2 4.24Å; L191-Y193 PolarHBondContact O-N 2.86Å
192G95.9Very high94.8Very high37 Ų3761.3 Ų61.338%0.38132%0.32SS..THydrogen-bonded Turntrans65.423.7175.400000114.9L188 K189 Q190 I205L188-G192 PolarHBondContact O-N 2.88Å; L188-G192 VanDerWaalsContact O-N 3.08Å; K189-G192 PolarHBondContact O-N 3.43Å; Q190-G192 VanDerWaalsContact C-N 3.3Å; Q190-G192 PolarHBondContact O-N 3.36Å; G192-I205 WeakPolarHBondContact O-CD1 3.28Å
193Y96.9Very high94.9Very high1 Ų161 Ų610%0.00432%0.324CS..  trans-86.3-7.4175.5-66.8-56000113.4D65 R67 R117 E119 L188 L191 T195 P200 Y202 I205D65-Y193 HydrophobicContact CB-CD1 4.27Å; D65-Y193 HydrophobicContact CB-CE1 4.32Å; D65-Y193 HydrophobicContact CB-CG 4.47Å; R67-Y193 PolarHBondContact NH2-O 3.3Å; R117-Y193 PolarHBondContact NH1-OH 3.31Å; E119-Y193 PolarHBondContact OE2-OH 2.85Å; E119-Y193 VanDerWaalsContact OE2-OH 3.06Å; L188-Y193 HydrophobicContact CD2-CD2 3.78Å; L188-Y193 HydrophobicContact CD2-CG 4.08Å; L188-Y193 PolarHBondContact O-N 3.05Å; L191-Y193 HydrophobicContact CB-CD2 3.48Å; L191-Y193 VanDerWaalsContact CB-CD2 3.48Å; L191-Y193 HydrophobicContact CB-CE2 3.5Å; L191-Y193 VanDerWaalsContact CB-CE2 3.5Å; L191-Y193 HydrophobicContact CB-CG 4.44Å; L191-Y193 HydrophobicContact CD1-CD2 4.22Å; L191-Y193 HydrophobicContact CD1-CE2 3.78Å; L191-Y193 HydrophobicContact CG-CE2 4.24Å; L191-Y193 PolarHBondContact O-N 2.86Å; Y193-T195 PolarHBondContact O-N 2.87Å; Y193-P200 VanDerWaalsContact O-CG 3.26Å; Y193-P200 WeakPolarHBondContact O-CG 3.5Å; Y193-Y202 HydrophobicContact CD1-CD1 4.47Å; Y193-Y202 HydrophobicContact CD1-CE1 4.14Å; Y193-Y202 HydrophobicContact CE1-CD1 4.31Å; Y193-Y202 HydrophobicContact CE1-CE1 4.21Å; Y193-I205 HydrophobicContact CD1-CD1 3.77Å; Y193-I205 HydrophobicContact CE1-CD1 4.29Å; Y193-I205 HydrophobicContact CE1-CG2 4.47Å
194L94.7Very high94.9Very high64 Ų6458.1 Ų58.134%0.33532%0.315SS..  trans-82.399.1172.4-59.3-173.7000109.5N182 L188 K189N182-L194 HydrophobicContact CB-CD2 4.01Å; L188-L194 HydrophobicContact CB-CD2 3.73Å; L188-L194 HydrophobicContact CB-CG 4.02Å; L188-L194 HydrophobicContact CD1-CD2 3.92Å; K189-L194 HydrophobicContact CB-CD1 3.61Å; K189-L194 HydrophobicContact CB-CG 4.33Å; K189-L194 HydrophobicContact CG-CD1 4.09Å
195T91.9Very high94.8Very high51 Ų5155.4 Ų55.431%0.31330%0.3SS..  trans-126.8162.3178.554.40000110.8Y193 E197 P200Y193-T195 PolarHBondContact O-N 2.87Å; T195-E197 VanDerWaalsContact C-N 3.27Å; T195-E197 PolarHBondContact O-N 3.31Å; T195-E197 PolarHBondContact OG1-O 3.47Å; T195-P200 HydrophobicContact CG2-CB 4.07Å; T195-P200 WeakPolarHBondContact OG1-CA 3.46Å; T195-P200 VanDerWaalsContact OG1-CB 3.24Å; T195-P200 WeakPolarHBondContact OG1-CB 3.29Å; T195-P200 WeakPolarHBondContact OG1-CG 3.49Å
196D89.5Confident94.8Very high176 Ų17655.6 Ų55.694%0.94130%0.302SS*.SBendtrans-67.9-28.9174.1-62.6-29.2000112.2
197E92.6Very high94.5Very high123 Ų12355.4 Ų55.458%0.57530%0.302SS*.SBendtrans-84.4135.5174.8-64.3177.8-179.500111T195 P199T195-E197 VanDerWaalsContact C-N 3.27Å; T195-E197 PolarHBondContact O-N 3.31Å; T195-E197 PolarHBondContact OG1-O 3.47Å; E197-P199 CarbonylContact C-O 3.35Å; E197-P199 CarbonylContact O-C 3.52Å
198I91.2Very high93.3Very high74 Ų7464.3 Ų64.338%0.37935%0.349SS..SBendtrans-125.7116.2175.6-58.6-64.3000108.4W166 I178W166-I198 HydrophobicContact CH2-CG2 3.88Å; W166-I198 HydrophobicContact CZ3-CG2 4.05Å; I178-I198 HydrophobicContact CD1-CG2 4.44Å; I178-I198 HydrophobicContact CG2-CD1 4.45Å; I178-I198 HydrophobicContact CG2-CG2 4.19Å
199P93.5Very high93.1Very high37 Ų3767.6 Ų67.624%0.2437%0.367CS..SBendcis-68.8160.5-433.6-35.3000111.3D164 W166 S167 E197 Y202D164-P199 HydrophobicContact CB-CG 3.96Å; W166-P199 HydrophobicContact CH2-CB 4.02Å; W166-P199 HydrophobicContact CZ2-CB 3.45Å; W166-P199 VanDerWaalsContact CZ2-CB 3.45Å; S167-P199 WeakPolarHBondContact OG-CD 3.34Å; S167-P199 WeakPolarHBondContact OG-CG 3.09Å; E197-P199 CarbonylContact C-O 3.35Å; E197-P199 CarbonylContact O-C 3.52Å; P199-Y202 HydrophobicContact CB-CE2 4.43Å
200P94.8Very high93Very high3 Ų363.4 Ų63.42%0.01935%0.352CS..  trans-59148.7174.4-21.731.5000112.2R67 Y193 T195 Y202 I205R67-P200 VanDerWaalsContact NH2-CD 3.31Å; Y193-P200 VanDerWaalsContact O-CG 3.26Å; Y193-P200 WeakPolarHBondContact O-CG 3.5Å; T195-P200 HydrophobicContact CG2-CB 4.07Å; T195-P200 WeakPolarHBondContact OG1-CA 3.46Å; T195-P200 VanDerWaalsContact OG1-CB 3.24Å; T195-P200 WeakPolarHBondContact OG1-CB 3.29Å; T195-P200 WeakPolarHBondContact OG1-CG 3.49Å; P200-Y202 VanDerWaalsContact C-N 3.32Å; P200-Y202 HydrophobicContact CB-CD1 4.37Å; P200-Y202 HydrophobicContact CB-CE1 4.19Å; P200-Y202 HydrophobicContact CG-CE1 4.21Å; P200-Y202 PolarHBondContact O-N 3.36Å; P200-I205 HydrophobicContact CB-CD1 3.61Å; P200-I205 HydrophobicContact CG-CD1 4.42Å
201N95.6Very high92.9Very high76 Ų7661.3 Ų61.341%0.40635%0.346SS..  trans-69.791.4165.8-171.7-27.4000110.3A203 T204 I205N201-A203 PolarHBondContact O-N 2.89Å; N201-A203 WeakPolarHBondContact OD1-CB 3.43Å; N201-A203 PolarHBondContact OD1-N 3.27Å; N201-A203 VanDerWaalsContact OD1-N 3.15Å; N201-T204 WeakPolarHBondContact O-CB 3.45Å; N201-T204 PolarHBondContact O-N 3.01Å; N201-T204 PolarHBondContact OD1-N 3.48Å; N201-I205 PolarHBondContact O-N 3.03Å
202Y96.7Very high92.7Very high15 Ų1564.4 Ų64.46%0.05936%0.363CS..Hα-helixtrans-59.8-28.2-178.1-61.5-56.6000113.5D65 E119 L163 W166 Y193 P199 P200 T204 I205 C206D65-Y202 HydrophobicContact CB-CE1 4.03Å; D65-Y202 WeakPolarHBondContact OD2-CE1 3.4Å; D65-Y202 PolarHBondContact OD2-OH 3.3Å; E119-Y202 HydrophobicContact CB-CD1 4.13Å; E119-Y202 HydrophobicContact CB-CG 3.99Å; E119-Y202 HydrophobicContact CG-CD1 3.64Å; E119-Y202 HydrophobicContact CG-CD2 4.13Å; E119-Y202 HydrophobicContact CG-CE1 3.93Å; E119-Y202 HydrophobicContact CG-CE2 4.38Å; E119-Y202 HydrophobicContact CG-CG 3.75Å; L163-Y202 HydrophobicContact CB-CD2 4.26Å; L163-Y202 HydrophobicContact CB-CE2 4.34Å; L163-Y202 VanDerWaalsContact O-CE2 3.27Å; L163-Y202 WeakPolarHBondContact O-CE2 3.38Å; W166-Y202 WeakPolarHBondContact CZ2-OH 3.49Å; W166-Y202 PolarHBondContact NE1-OH 3.42Å; Y193-Y202 HydrophobicContact CD1-CD1 4.47Å; Y193-Y202 HydrophobicContact CD1-CE1 4.14Å; Y193-Y202 HydrophobicContact CE1-CD1 4.31Å; Y193-Y202 HydrophobicContact CE1-CE1 4.21Å; P199-Y202 HydrophobicContact CB-CE2 4.43Å; P200-Y202 VanDerWaalsContact C-N 3.32Å; P200-Y202 HydrophobicContact CB-CD1 4.37Å; P200-Y202 HydrophobicContact CB-CE1 4.19Å; P200-Y202 HydrophobicContact CG-CE1 4.21Å; P200-Y202 PolarHBondContact O-N 3.36Å; Y202-T204 VanDerWaalsContact C-N 3.33Å; Y202-T204 PolarHBondContact O-N 3.11Å; Y202-I205 HydrophobicContact CD1-CD1 4.25Å; Y202-I205 PolarHBondContact O-N 3.29Å; Y202-C206 WeakPolarHBondContact O-CB 3.43Å; Y202-C206 PolarHBondContact O-N 3.49Å; Y202-C206 PolarHBondContact O-SG 3.25Å
203A95.1Very high92.4Very high41 Ų4166.1 Ų66.134%0.33936%0.362SS..Hα-helixtrans-66.4-37.317600000111.6L123 N201 C206 N207L123-A203 HydrophobicContact CD1-CB 4.25Å; N201-A203 PolarHBondContact O-N 2.89Å; N201-A203 WeakPolarHBondContact OD1-CB 3.43Å; N201-A203 PolarHBondContact OD1-N 3.27Å; N201-A203 VanDerWaalsContact OD1-N 3.15Å; A203-C206 PolarHBondContact O-N 3.33Å; A203-N207 PolarHBondContact O-N 3.13Å; A203-N207 PolarHBondContact O-ND2 3.19Å
204T95Very high92.2Very high69 Ų6970.4 Ų70.442%0.42339%0.386SS..Hα-helixtrans-64.3-46.5173-56.50000110.8N201 Y202 C206 N207 N208N201-T204 WeakPolarHBondContact O-CB 3.45Å; N201-T204 PolarHBondContact O-N 3.01Å; N201-T204 PolarHBondContact OD1-N 3.48Å; Y202-T204 VanDerWaalsContact C-N 3.33Å; Y202-T204 PolarHBondContact O-N 3.11Å; T204-C206 VanDerWaalsContact C-N 3.25Å; T204-C206 PolarHBondContact O-N 3.26Å; T204-N207 PolarHBondContact O-N 2.81Å; T204-N207 VanDerWaalsContact O-N 3.15Å; T204-N208 PolarHBondContact O-N 2.87Å; T204-N208 PolarHBondContact O-ND2 2.95Å
205I94.6Very high92Very high19 Ų1970.9 Ų70.910%0.09739%0.39CS..Hα-helixtrans-59.1-38177.7-63.5176.1000111.4G192 Y193 P200 N201 Y202 N207G192-I205 WeakPolarHBondContact O-CD1 3.28Å; Y193-I205 HydrophobicContact CD1-CD1 3.77Å; Y193-I205 HydrophobicContact CE1-CD1 4.29Å; Y193-I205 HydrophobicContact CE1-CG2 4.47Å; P200-I205 HydrophobicContact CB-CD1 3.61Å; P200-I205 HydrophobicContact CG-CD1 4.42Å; N201-I205 PolarHBondContact O-N 3.03Å; Y202-I205 HydrophobicContact CD1-CD1 4.25Å; Y202-I205 PolarHBondContact O-N 3.29Å; I205-N207 VanDerWaalsContact C-N 3.27Å; I205-N207 PolarHBondContact O-N 3.26Å
206C94.5Very high92Very high10 Ų1072.4 Ų72.47%0.06840%0.395CS..THydrogen-bonded Turntrans-77-7.1-178.6-67.60000115.4C120 R127 Y202 A203 T204C120-C206 WeakPolarHBondContact CA-SG 3.34Å; C120-C206 HydrophobicContact CB-CB 3.84Å; C120-C206 WeakPolarHBondContact CB-SG 3.16Å; C120-C206 PolarHBondContact N-SG 3.27Å; C120-C206 VanDerWaalsContact N-SG 3.37Å; C120-C206 WeakPolarHBondContact SG-CA 3.15Å; C120-C206 WeakPolarHBondContact SG-CB 3.44Å; C120-C206 CovalentContact SG-SG 2.03Å; C120-C206 PolarHBondContact SG-SG 3.48Å; R127-C206 PolarHBondContact NH1-O 3.17Å; R127-C206 PolarHBondContact NH2-O 3.3Å; Y202-C206 WeakPolarHBondContact O-CB 3.43Å; Y202-C206 PolarHBondContact O-N 3.49Å; Y202-C206 PolarHBondContact O-SG 3.25Å; A203-C206 PolarHBondContact O-N 3.33Å; T204-C206 VanDerWaalsContact C-N 3.25Å; T204-C206 PolarHBondContact O-N 3.26Å
207N89.4Confident92.2Very high111 Ų11163.8 Ų63.859%0.59435%0.35SS*.THydrogen-bonded Turntrans-110.3-10.4-180-70-30.9000113.2R127 A203 T204 I205R127-N207 PolarHBondContact NH1-OD1 3.23Å; A203-N207 PolarHBondContact O-N 3.13Å; A203-N207 PolarHBondContact O-ND2 3.19Å; T204-N207 PolarHBondContact O-N 2.81Å; T204-N207 VanDerWaalsContact O-N 3.15Å; I205-N207 VanDerWaalsContact C-N 3.27Å; I205-N207 PolarHBondContact O-N 3.26Å
208N73Confident92.1Very high187 Ų18758.4 Ų58.4100%133%0.33SS*.  trans-90.60173.1-66.9-21.3000110.8T204T204-N208 PolarHBondContact O-N 2.87Å; T204-N208 PolarHBondContact O-ND2 2.95Å

Retrieved 208 of 208 residues in 47 ms (Link to these results)

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