G4LV03_SCHMA Loading...

Metaxin, putative

AlphaFold DB , UniProt , Accession G4LV03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 320 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
1M88Confident79.1Confident46 Ų4638.9 Ų38.923%0.22721%0.207CC..  0127.70-68.4-178.6-174.100108.5M32 N33 L50 S51 H52 Y66 E70 Y72M1-M32 HydrophobicContact CB-CE 3.84Å; M1-M32 HydrophobicContact CB-CG 4.22Å; M1-M32 HydrophobicContact CB-SD 4.34Å; M1-M32 HydrophobicContact SD-SD 4.5Å; M1-N33 PolarHBondContact O-N 3.46Å; M1-L50 HydrophobicContact CB-CD1 4.35Å; M1-S51 WeakPolarHBondContact CA-O 3.38Å; M1-H52 HydrophobicContact CG-CB 4.01Å; M1-H52 WeakPolarHBondContact CG-CD2 3.49Å; M1-Y66 HydrophobicContact CE-CE1 4.33Å; M1-E70 HydrophobicContact CE-CB 3.69Å; M1-E70 HydrophobicContact CE-CG 3.66Å; M1-Y72 HydrophobicContact CE-CD2 4.24Å; M1-Y72 HydrophobicContact CE-CE2 3.56Å; M1-Y72 HydrophobicContact SD-CD2 4.18Å; M1-Y72 HydrophobicContact SD-CE2 3.58Å; M1-Y72 VanDerWaalsContact SD-CE2 3.58Å
2D89.4Confident78.5Confident56 Ų5637.2 Ų37.230%0.29920%0.198SC..EExtended strand (participates in β ladder)trans-115.3123.9-178.9-67.71000108.7N33 S51D2-N33 CarbonylContact C-O 3.6Å; D2-N33 WeakPolarHBondContact CA-O 3.35Å; D2-N33 VanDerWaalsContact OD1-CB 3.32Å; D2-N33 WeakPolarHBondContact OD1-CB 3.33Å; D2-S51 PolarHBondContact N-O 2.82Å; D2-S51 PolarHBondContact O-N 2.99Å
3L89.3Confident78.3Confident0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-101118174.2-179.873.7000108.6I5 I21 F22 I25 M32 N33 I34 Q35 P48L3-I5 HydrophobicContact CD1-CG2 4.35Å; L3-I5 HydrophobicContact CD2-CG2 3.57Å; L3-I5 HydrophobicContact CG-CG2 3.73Å; L3-I21 HydrophobicContact CD1-CB 4.49Å; L3-I21 HydrophobicContact CD1-CG2 3.46Å; L3-I21 VanDerWaalsContact CD1-CG2 3.46Å; L3-I21 HydrophobicContact CD2-CG2 4.11Å; L3-I21 HydrophobicContact CG-CG2 4.44Å; L3-F22 HydrophobicContact CD2-CB 4.29Å; L3-I25 HydrophobicContact CB-CD1 4.39Å; L3-I25 HydrophobicContact CD1-CD1 4.23Å; L3-I25 HydrophobicContact CD2-CD1 3.75Å; L3-I25 HydrophobicContact CG-CD1 4.34Å; L3-M32 HydrophobicContact CB-CE 3.96Å; L3-N33 PolarHBondContact N-O 2.79Å; L3-I34 CarbonylContact O-C 3.57Å; L3-I34 WeakPolarHBondContact O-CA 3.24Å; L3-Q35 PolarHBondContact O-N 2.7Å; L3-P48 HydrophobicContact CD1-CB 4.27Å
4T88Confident78.3Confident6 Ų632.4 Ų32.44%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-98.3118.6169.3-46.50000109.9Q35 K37 F47 I49T4-Q35 CarbonylContact C-O 3.57Å; T4-Q35 VanDerWaalsContact CA-O 3.28Å; T4-Q35 WeakPolarHBondContact CA-O 3.25Å; T4-Q35 HydrophobicContact CG2-CB 4.18Å; T4-K37 HydrophobicContact CG2-CB 4.14Å; T4-K37 HydrophobicContact CG2-CD 3.56Å; T4-K37 HydrophobicContact CG2-CG 3.61Å; T4-F47 HydrophobicContact CG2-CD1 4.3Å; T4-F47 HydrophobicContact CG2-CE1 3.58Å; T4-I49 PolarHBondContact N-O 3.28Å; T4-I49 PolarHBondContact O-N 2.95Å
5I86.2Confident79Confident0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-115.9153.1178.657-179.5000111.5L3 L13 C18 F22 I34 Q35 M36 K37 P48L3-I5 HydrophobicContact CD1-CG2 4.35Å; L3-I5 HydrophobicContact CD2-CG2 3.57Å; L3-I5 HydrophobicContact CG-CG2 3.73Å; I5-L13 HydrophobicContact CD1-CD2 3.41Å; I5-L13 VanDerWaalsContact CD1-CD2 3.41Å; I5-C18 HydrophobicContact CB-CB 3.97Å; I5-C18 HydrophobicContact CG2-CB 4Å; I5-F22 HydrophobicContact CD1-CD1 4.14Å; I5-F22 HydrophobicContact CD1-CG 4.37Å; I5-I34 HydrophobicContact CD1-CG2 3.62Å; I5-I34 HydrophobicContact CG1-CG2 4Å; I5-Q35 PolarHBondContact N-O 2.69Å; I5-M36 HydrophobicContact CD1-CE 4.18Å; I5-M36 HydrophobicContact CD1-CG 4.29Å; I5-M36 HydrophobicContact CG1-CG 4.06Å; I5-K37 PolarHBondContact O-N 2.89Å; I5-P48 HydrophobicContact CG2-CB 4.43Å
6L83.1Confident79.9Confident6 Ų628.9 Ų28.93%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-70.4134171.1-167.271.6000110.4D15 C18 P39 F47 Y120 W136L6-D15 HydrophobicContact CB-CB 4.3Å; L6-D15 HydrophobicContact CD2-CB 4.07Å; L6-C18 PolarHBondContact N-SG 2.96Å; L6-C18 VanDerWaalsContact N-SG 3.44Å; L6-P39 HydrophobicContact CD1-CB 3.75Å; L6-P39 HydrophobicContact CD1-CG 3.84Å; L6-F47 HydrophobicContact CB-CB 4.41Å; L6-F47 HydrophobicContact CB-CD2 4.47Å; L6-F47 HydrophobicContact CB-CG 4.45Å; L6-F47 HydrophobicContact CD1-CD2 3.92Å; L6-F47 HydrophobicContact CD1-CE2 4.06Å; L6-Y120 HydrophobicContact CD2-CD1 3.52Å; L6-Y120 HydrophobicContact CD2-CE1 3.44Å; L6-Y120 VanDerWaalsContact CD2-CE1 3.44Å; L6-W136 HydrophobicContact CD1-CH2 4.16Å; L6-W136 HydrophobicContact CD2-CH2 4.12Å; L6-W136 HydrophobicContact CD2-CZ3 3.87Å
7S79Confident80.7Confident7 Ų729.9 Ų29.95%0.04916%0.158CC..EExtended strand (participates in β ladder)trans-129141.9174.8-1790000112.1E11 L12 M36 K37S7-E11 VanDerWaalsContact OG-C 3.23Å; S7-E11 WeakPolarHBondContact OG-CA 3.42Å; S7-L12 PolarHBondContact OG-N 3.22Å; S7-M36 WeakPolarHBondContact OG-CE 3.42Å; S7-K37 PolarHBondContact N-O 3.45Å
8A72.4Confident81.3Confident4 Ų428.3 Ų28.33%0.03315%0.149CC..EExtended strand (participates in β ladder)trans-72.6171.4162.800000111.6E11 L12 C14 M119A8-E11 PolarHBondContact O-N 2.97Å; A8-L12 HydrophobicContact CB-CB 4.08Å; A8-L12 WeakPolarHBondContact CB-O 3.48Å; A8-L12 PolarHBondContact N-O 2.89Å; A8-C14 WeakPolarHBondContact CB-SG 3.24Å; A8-M119 VanDerWaalsContact CA-O 3.3Å; A8-M119 WeakPolarHBondContact CA-O 3.49Å; A8-M119 HydrophobicContact CB-CE 3.65Å; A8-M119 WeakPolarHBondContact CB-O 3.37Å
9P62.6Low81.9Confident41 Ų4126.9 Ų26.927%0.26614%0.142SC..G310 helixtrans-48.3144.5166.3-21.128.2000111.4M119 E122P9-M119 VanDerWaalsContact CD-O 3.28Å; P9-M119 WeakPolarHBondContact CD-O 3.47Å; P9-E122 HydrophobicContact CG-CB 4.11Å
10N65.2Low82.6Confident164 Ų16425.6 Ų25.688%0.87714%0.135SC*.G310 helixtrans65.529.6-176.6-51.4-33000115.8L12N10-L12 PolarHBondContact O-N 3.03Å
11E67.2Low83.2Confident98 Ų9824.3 Ų24.346%0.45813%0.128SC..G310 helixtrans63.225.6176.7-63.2-179.6176.100114.1S7 A8 M36 K262 Y263S7-E11 VanDerWaalsContact OG-C 3.23Å; S7-E11 WeakPolarHBondContact OG-CA 3.42Å; A8-E11 PolarHBondContact O-N 2.97Å; E11-M36 HydrophobicContact CB-CE 4.06Å; E11-M36 HydrophobicContact CB-SD 3.69Å; E11-M36 HydrophobicContact CG-SD 3.99Å; E11-M36 WeakPolarHBondContact O-CE 3.44Å; E11-K262 IonicContact OE2-NZ 2.79Å; E11-K262 PolarHBondContact OE2-NZ 3.24Å; E11-Y263 VanDerWaalsContact O-CE1 3.3Å; E11-Y263 WeakPolarHBondContact O-CE1 3.31Å; E11-Y263 PolarHBondContact O-OH 2.57Å
12L71.6Confident83.4Confident18 Ų1822.3 Ų22.39%0.09412%0.119CC..EExtended strand (participates in β ladder)trans-84.4129.8-176.6-172.354.7000112.2S7 A8 N10 C14 M119 M207 Y263 C266S7-L12 PolarHBondContact OG-N 3.22Å; A8-L12 HydrophobicContact CB-CB 4.08Å; A8-L12 WeakPolarHBondContact CB-O 3.48Å; A8-L12 PolarHBondContact N-O 2.89Å; N10-L12 PolarHBondContact O-N 3.03Å; L12-C14 PolarHBondContact O-N 2.87Å; L12-C14 PolarHBondContact O-SG 2.76Å; L12-M119 HydrophobicContact CB-CE 4.35Å; L12-M119 HydrophobicContact CD2-CE 3.4Å; L12-M119 VanDerWaalsContact CD2-CE 3.4Å; L12-M119 HydrophobicContact CG-CE 3.96Å; L12-M207 HydrophobicContact CD1-CE 3.52Å; L12-M207 HydrophobicContact CD2-CE 3.9Å; L12-M207 HydrophobicContact CD2-SD 3.9Å; L12-M207 HydrophobicContact CG-CE 3.76Å; L12-M207 HydrophobicContact CG-SD 4.18Å; L12-Y263 HydrophobicContact CD1-CD1 3.97Å; L12-Y263 HydrophobicContact CD1-CE1 4.41Å; L12-C266 HydrophobicContact CD1-CB 4.26Å; L12-C266 VanDerWaalsContact CD1-SG 3.51Å
13L76.1Confident83.7Confident2 Ų219.7 Ų19.71%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-76.3118.5179.3-59.3161.4000109.7I5 L19 F22 M36 W203 M207 F260 Y263I5-L13 HydrophobicContact CD1-CD2 3.41Å; I5-L13 VanDerWaalsContact CD1-CD2 3.41Å; L13-L19 HydrophobicContact CB-CD1 4.27Å; L13-L19 HydrophobicContact CD1-CD1 3.75Å; L13-L19 HydrophobicContact CG-CD1 4.49Å; L13-F22 HydrophobicContact CD1-CD1 3.67Å; L13-F22 HydrophobicContact CD1-CE1 3.65Å; L13-F22 HydrophobicContact CD2-CD1 3.79Å; L13-F22 HydrophobicContact CD2-CE1 4.11Å; L13-F22 HydrophobicContact CG-CD1 4.39Å; L13-F22 HydrophobicContact CG-CE1 4.49Å; L13-M36 HydrophobicContact CD2-CE 3.81Å; L13-M36 HydrophobicContact CG-CE 4.38Å; L13-W203 HydrophobicContact CB-CZ2 4.24Å; L13-W203 HydrophobicContact CD1-CZ2 4.39Å; L13-W203 PolarHBondContact O-NE1 2.92Å; L13-M207 WeakPolarHBondContact O-CE 3.32Å; L13-F260 HydrophobicContact CD1-CD1 4.42Å; L13-F260 HydrophobicContact CD1-CE1 4.49Å; L13-Y263 HydrophobicContact CD1-CD1 4.48Å; L13-Y263 HydrophobicContact CD1-CD2 4.15Å; L13-Y263 HydrophobicContact CD1-CE1 4.05Å; L13-Y263 HydrophobicContact CD1-CE2 3.68Å; L13-Y263 HydrophobicContact CG-CE1 4.12Å; L13-Y263 HydrophobicContact CG-CE2 4.5Å
14C77.5Confident83.9Confident6 Ų619.7 Ų19.74%0.04110%0.104CC..  trans-123.5-29.1-175.3-62.90000114.1A8 L12 M119 Y120A8-C14 WeakPolarHBondContact CB-SG 3.24Å; L12-C14 PolarHBondContact O-N 2.87Å; L12-C14 PolarHBondContact O-SG 2.76Å; C14-M119 WeakPolarHBondContact SG-CE 3.24Å; C14-Y120 HydrophobicContact CB-CD2 4.23Å; C14-Y120 HydrophobicContact CB-CE2 3.62Å; C14-Y120 PolarHBondContact O-OH 3.24Å
15D89.3Confident84.1Confident9 Ų919.6 Ų19.65%0.04810%0.104CC..  trans-87.3122-177.9-179.576.7000110.7L6 E17 C18 L19 Y120L6-D15 HydrophobicContact CB-CB 4.3Å; L6-D15 HydrophobicContact CD2-CB 4.07Å; D15-E17 VanDerWaalsContact C-N 3.29Å; D15-E17 PolarHBondContact O-N 2.95Å; D15-E17 WeakPolarHBondContact OD2-CB 3.46Å; D15-E17 PolarHBondContact OD2-N 3.47Å; D15-C18 HydrophobicContact CB-CB 4Å; D15-C18 PolarHBondContact O-N 2.9Å; D15-C18 PolarHBondContact OD2-N 2.74Å; D15-C18 PolarHBondContact OD2-SG 3.45Å; D15-L19 WeakPolarHBondContact O-CB 3.39Å; D15-L19 PolarHBondContact O-N 2.59Å; D15-Y120 WeakPolarHBondContact CA-OH 3.14Å; D15-Y120 HydrophobicContact CB-CE1 4.2Å; D15-Y120 PolarHBondContact N-OH 3.49Å
16P93.5Very high84.5Confident0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-65-32.6-175.825.5-33.7000112.1L19 L20 A200 F201P16-L19 PolarHBondContact O-N 3.15Å; P16-L20 VanDerWaalsContact O-CB 3.3Å; P16-L20 WeakPolarHBondContact O-CB 3.32Å; P16-L20 PolarHBondContact O-N 3.32Å; P16-A200 WeakPolarHBondContact O-CB 3.42Å; P16-F201 HydrophobicContact CB-CD1 3.7Å; P16-F201 HydrophobicContact CB-CE1 3.74Å; P16-F201 HydrophobicContact CB-CG 4.37Å; P16-F201 HydrophobicContact CB-CZ 4.44Å; P16-F201 HydrophobicContact CG-CD1 4.17Å; P16-F201 HydrophobicContact CG-CE1 3.95Å
17E92.7Very high85Confident45 Ų4525.6 Ų25.621%0.2113%0.126CC..Hα-helixtrans-70.6-43.3178.5-62.2-68.2168.800111.4D15 L19 L20 I21 T60D15-E17 VanDerWaalsContact C-N 3.29Å; D15-E17 PolarHBondContact O-N 2.95Å; D15-E17 WeakPolarHBondContact OD2-CB 3.46Å; D15-E17 PolarHBondContact OD2-N 3.47Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.15Å; E17-L20 WeakPolarHBondContact O-CB 3.34Å; E17-L20 PolarHBondContact O-N 3.07Å; E17-I21 PolarHBondContact O-N 3.36Å; E17-T60 VanDerWaalsContact OE2-CB 3.3Å; E17-T60 WeakPolarHBondContact OE2-CB 3.46Å; E17-T60 PolarHBondContact OE2-OG1 3.3Å
18C92.3Very high85.6Confident1 Ų128.9 Ų28.91%0.00714%0.14CC..Hα-helixtrans-60.4-44.2172.2-68.90000111.5I5 L6 D15 L20 I21 F22I5-C18 HydrophobicContact CB-CB 3.97Å; I5-C18 HydrophobicContact CG2-CB 4Å; L6-C18 PolarHBondContact N-SG 2.96Å; L6-C18 VanDerWaalsContact N-SG 3.44Å; D15-C18 HydrophobicContact CB-CB 4Å; D15-C18 PolarHBondContact O-N 2.9Å; D15-C18 PolarHBondContact OD2-N 2.74Å; D15-C18 PolarHBondContact OD2-SG 3.45Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-I21 PolarHBondContact O-N 3.37Å; C18-F22 WeakPolarHBondContact O-CB 3.47Å; C18-F22 PolarHBondContact O-N 2.86Å
19L93.3Very high86.3Confident2 Ų231.4 Ų31.41%0.0117%0.166CC..Hα-helixtrans-64.9-39.3178.7-17860.4000111.5L13 D15 P16 E17 F22 C23 F199 A200 W203 F260L13-L19 HydrophobicContact CB-CD1 4.27Å; L13-L19 HydrophobicContact CD1-CD1 3.75Å; L13-L19 HydrophobicContact CG-CD1 4.49Å; D15-L19 WeakPolarHBondContact O-CB 3.39Å; D15-L19 PolarHBondContact O-N 2.59Å; P16-L19 PolarHBondContact O-N 3.15Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.15Å; L19-F22 HydrophobicContact CD1-CD1 4.48Å; L19-F22 PolarHBondContact O-N 3.26Å; L19-C23 WeakPolarHBondContact O-CB 3.36Å; L19-C23 PolarHBondContact O-N 3.37Å; L19-C23 PolarHBondContact O-SG 2.66Å; L19-F199 HydrophobicContact CD1-CE1 4.28Å; L19-F199 HydrophobicContact CD2-CD1 4.45Å; L19-F199 HydrophobicContact CD2-CE1 4.33Å; L19-F199 HydrophobicContact CG-CE1 4.48Å; L19-A200 HydrophobicContact CB-CB 4.14Å; L19-A200 HydrophobicContact CD2-CB 4.27Å; L19-A200 HydrophobicContact CG-CB 4.01Å; L19-W203 HydrophobicContact CD2-CB 3.3Å; L19-W203 HydrophobicContact CD2-CD2 3.43Å; L19-W203 VanDerWaalsContact CD2-CD2 3.43Å; L19-W203 HydrophobicContact CD2-CE3 3.93Å; L19-W203 HydrophobicContact CD2-CG 3.16Å; L19-F260 HydrophobicContact CD1-CE1 4.44Å
20L95.6Very high87.3Confident0 Ų030.3 Ų30.30%016%0.16CC..Hα-helixtrans-56.6-53.9176.3166.355.9000111.3P16 E17 C18 F22 C23 Y24 T60 A196 Y197 A200 F201P16-L20 VanDerWaalsContact O-CB 3.3Å; P16-L20 WeakPolarHBondContact O-CB 3.32Å; P16-L20 PolarHBondContact O-N 3.32Å; E17-L20 WeakPolarHBondContact O-CB 3.34Å; E17-L20 PolarHBondContact O-N 3.07Å; C18-L20 VanDerWaalsContact C-N 3.34Å; L20-F22 VanDerWaalsContact C-N 3.28Å; L20-F22 PolarHBondContact O-N 2.89Å; L20-C23 PolarHBondContact O-N 3.35Å; L20-Y24 WeakPolarHBondContact O-CB 3.43Å; L20-Y24 PolarHBondContact O-N 2.92Å; L20-T60 HydrophobicContact CD2-CG2 3.45Å; L20-T60 VanDerWaalsContact CD2-CG2 3.45Å; L20-T60 HydrophobicContact CG-CG2 4.13Å; L20-A196 HydrophobicContact CD1-CB 3.77Å; L20-Y197 HydrophobicContact CD1-CD1 4.45Å; L20-Y197 HydrophobicContact CD1-CD2 3.51Å; L20-Y197 HydrophobicContact CD1-CE2 3.83Å; L20-Y197 HydrophobicContact CD1-CG 3.87Å; L20-Y197 HydrophobicContact CD2-CD1 3.82Å; L20-Y197 HydrophobicContact CD2-CD2 4.04Å; L20-Y197 HydrophobicContact CD2-CE1 3.53Å; L20-Y197 HydrophobicContact CD2-CE2 3.78Å; L20-Y197 HydrophobicContact CD2-CG 4.08Å; L20-Y197 HydrophobicContact CG-CD2 4.44Å; L20-Y197 HydrophobicContact CG-CE2 4.39Å; L20-A200 HydrophobicContact CB-CB 3.75Å; L20-F201 HydrophobicContact CD2-CE2 4.48Å
21I94.5Very high88Confident0 Ų034.6 Ų34.60%016%0.164CC..Hα-helixtrans-62.3-40.2178.2-62.8-54.3000110.9L3 E17 C18 C23 Y24 I25 P48 T60 I63 L64L3-I21 HydrophobicContact CD1-CB 4.49Å; L3-I21 HydrophobicContact CD1-CG2 3.46Å; L3-I21 VanDerWaalsContact CD1-CG2 3.46Å; L3-I21 HydrophobicContact CD2-CG2 4.11Å; L3-I21 HydrophobicContact CG-CG2 4.44Å; E17-I21 PolarHBondContact O-N 3.36Å; C18-I21 PolarHBondContact O-N 3.37Å; I21-C23 PolarHBondContact O-N 2.74Å; I21-Y24 WeakPolarHBondContact O-CB 3.5Å; I21-Y24 PolarHBondContact O-N 3.15Å; I21-I25 HydrophobicContact CG2-CD1 3.74Å; I21-I25 WeakPolarHBondContact O-CD1 3.14Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 2.86Å; I21-I25 VanDerWaalsContact O-N 3.07Å; I21-P48 HydrophobicContact CB-CB 4.43Å; I21-P48 HydrophobicContact CB-CG 4.15Å; I21-P48 HydrophobicContact CG1-CB 4.34Å; I21-P48 HydrophobicContact CG1-CG 3.58Å; I21-T60 HydrophobicContact CD1-CG2 3.75Å; I21-T60 HydrophobicContact CG1-CG2 4.3Å; I21-I63 HydrophobicContact CD1-CB 4.19Å; I21-I63 HydrophobicContact CD1-CG2 3.81Å; I21-I63 HydrophobicContact CG1-CG2 4.18Å; I21-I63 HydrophobicContact CG2-CG2 3.87Å; I21-L64 HydrophobicContact CD1-CD2 3.64Å; I21-L64 HydrophobicContact CD1-CG 3.75Å
22F93.5Very high88.7Confident4 Ų430.9 Ų30.92%0.01815%0.147CC..Hα-helixtrans-63.1-42.5177.8-175.5-153.2000112.5L3 I5 L13 C18 L19 L20 R26 I34 F260 Y263L3-F22 HydrophobicContact CD2-CB 4.29Å; I5-F22 HydrophobicContact CD1-CD1 4.14Å; I5-F22 HydrophobicContact CD1-CG 4.37Å; L13-F22 HydrophobicContact CD1-CD1 3.67Å; L13-F22 HydrophobicContact CD1-CE1 3.65Å; L13-F22 HydrophobicContact CD2-CD1 3.79Å; L13-F22 HydrophobicContact CD2-CE1 4.11Å; L13-F22 HydrophobicContact CG-CD1 4.39Å; L13-F22 HydrophobicContact CG-CE1 4.49Å; C18-F22 WeakPolarHBondContact O-CB 3.47Å; C18-F22 PolarHBondContact O-N 2.86Å; L19-F22 HydrophobicContact CD1-CD1 4.48Å; L19-F22 PolarHBondContact O-N 3.26Å; L20-F22 VanDerWaalsContact C-N 3.28Å; L20-F22 PolarHBondContact O-N 2.89Å; F22-R26 HydrophobicContact CD2-CG 3.84Å; F22-R26 HydrophobicContact CE2-CG 3.53Å; F22-R26 HydrophobicContact CZ-CG 4.19Å; F22-R26 WeakPolarHBondContact O-CB 3.49Å; F22-R26 VanDerWaalsContact O-CG 3.24Å; F22-R26 WeakPolarHBondContact O-CG 3.25Å; F22-R26 PolarHBondContact O-N 3.08Å; F22-I34 HydrophobicContact CD2-CD1 4.07Å; F22-I34 HydrophobicContact CD2-CG1 4.33Å; F22-I34 HydrophobicContact CE2-CD1 3.29Å; F22-I34 HydrophobicContact CE2-CG1 3.99Å; F22-I34 HydrophobicContact CZ-CD1 3.95Å; F22-F260 AromaticContact CD1-CE1 3.69Å; F22-F260 HydrophobicContact CD1-CE1 3.69Å; F22-F260 HydrophobicContact CD1-CZ 4.48Å; F22-F260 HydrophobicContact CE1-CD1 4.13Å; F22-F260 AromaticContact CE1-CE1 3.54Å; F22-F260 HydrophobicContact CE1-CE1 3.54Å; F22-F260 HydrophobicContact CG-CE1 4.31Å; F22-F260 HydrophobicContact CZ-CE1 4.02Å; F22-Y263 HydrophobicContact CE1-CE2 4.47Å
23C93.9Very high89.4Confident0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-62.2-47174.3-67.20000111.6L19 L20 I21 I25 R26 F27 A196 F199 F260L19-C23 WeakPolarHBondContact O-CB 3.36Å; L19-C23 PolarHBondContact O-N 3.37Å; L19-C23 PolarHBondContact O-SG 2.66Å; L20-C23 PolarHBondContact O-N 3.35Å; I21-C23 PolarHBondContact O-N 2.74Å; C23-I25 VanDerWaalsContact C-N 3.3Å; C23-I25 PolarHBondContact O-N 3.29Å; C23-R26 PolarHBondContact O-N 2.99Å; C23-R26 VanDerWaalsContact O-N 3.14Å; C23-F27 HydrophobicContact CB-CE2 4.39Å; C23-F27 HydrophobicContact CB-CZ 4.28Å; C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 WeakPolarHBondContact O-CD1 3.33Å; C23-F27 WeakPolarHBondContact O-CG 3.29Å; C23-F27 PolarHBondContact O-N 2.87Å; C23-A196 HydrophobicContact CB-CB 3.9Å; C23-F199 WeakPolarHBondContact SG-CD1 3.22Å; C23-F199 VanDerWaalsContact SG-CE1 3.51Å; C23-F260 HydrophobicContact CB-CE2 4.46Å; C23-F260 HydrophobicContact CB-CZ 4.2Å; C23-F260 VanDerWaalsContact SG-CE2 3.52Å; C23-F260 WeakPolarHBondContact SG-CZ 3.41Å
24Y94.8Very high89.9Confident0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-55.3-47.2180-171.5-82.8000111.7L20 I21 F27 K28 L64 L67 Y72 G73 L74 E75 A193L20-Y24 WeakPolarHBondContact O-CB 3.43Å; L20-Y24 PolarHBondContact O-N 2.92Å; I21-Y24 WeakPolarHBondContact O-CB 3.5Å; I21-Y24 PolarHBondContact O-N 3.15Å; Y24-F27 PolarHBondContact O-N 3.37Å; Y24-K28 PolarHBondContact O-N 3.5Å; Y24-L64 HydrophobicContact CD1-CD2 4.05Å; Y24-L64 HydrophobicContact CD2-CD2 3.58Å; Y24-L64 HydrophobicContact CE1-CD2 4.23Å; Y24-L64 HydrophobicContact CE2-CD2 3.78Å; Y24-L64 HydrophobicContact CG-CD2 3.73Å; Y24-L67 HydrophobicContact CD1-CD1 3.81Å; Y24-L67 HydrophobicContact CE1-CB 4.12Å; Y24-L67 HydrophobicContact CE1-CD1 4.05Å; Y24-Y72 WeakPolarHBondContact CE1-O 3.37Å; Y24-Y72 PolarHBondContact OH-O 3.22Å; Y24-G73 VanDerWaalsContact OH-CA 3.28Å; Y24-G73 WeakPolarHBondContact OH-CA 3.47Å; Y24-L74 HydrophobicContact CD2-CD1 3.53Å; Y24-L74 HydrophobicContact CD2-CG 4.12Å; Y24-L74 HydrophobicContact CE1-CG 4.3Å; Y24-L74 HydrophobicContact CE2-CB 4.12Å; Y24-L74 HydrophobicContact CE2-CD1 3.67Å; Y24-L74 HydrophobicContact CE2-CG 3.79Å; Y24-L74 HydrophobicContact CG-CD1 3.99Å; Y24-L74 PolarHBondContact OH-N 3.34Å; Y24-L74 VanDerWaalsContact OH-N 3.16Å; Y24-E75 PolarHBondContact OH-OE2 2.87Å; Y24-A193 HydrophobicContact CD2-CB 4.33Å; Y24-A193 HydrophobicContact CE2-CB 4.02Å
25I93Very high90.3Very high4 Ų439 Ų392%0.02119%0.188CC..Hα-helixtrans-65.2-43.6177.1-73162.1000111.8L3 I21 C23 K28 G29 A30 M32 L67L3-I25 HydrophobicContact CB-CD1 4.39Å; L3-I25 HydrophobicContact CD1-CD1 4.23Å; L3-I25 HydrophobicContact CD2-CD1 3.75Å; L3-I25 HydrophobicContact CG-CD1 4.34Å; I21-I25 HydrophobicContact CG2-CD1 3.74Å; I21-I25 WeakPolarHBondContact O-CD1 3.14Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 2.86Å; I21-I25 VanDerWaalsContact O-N 3.07Å; C23-I25 VanDerWaalsContact C-N 3.3Å; C23-I25 PolarHBondContact O-N 3.29Å; I25-K28 PolarHBondContact O-N 3.38Å; I25-G29 PolarHBondContact O-N 3.31Å; I25-A30 HydrophobicContact CG2-CB 4.06Å; I25-A30 PolarHBondContact O-N 3.27Å; I25-M32 HydrophobicContact CB-SD 4.15Å; I25-M32 HydrophobicContact CD1-CE 3.39Å; I25-M32 HydrophobicContact CD1-SD 3.53Å; I25-M32 VanDerWaalsContact CD1-SD 3.53Å; I25-M32 HydrophobicContact CG1-CE 4.15Å; I25-M32 HydrophobicContact CG1-SD 3.58Å; I25-M32 VanDerWaalsContact CG1-SD 3.58Å; I25-M32 HydrophobicContact CG2-CB 4.02Å; I25-M32 HydrophobicContact CG2-CE 4.46Å; I25-M32 HydrophobicContact CG2-CG 3.97Å; I25-M32 HydrophobicContact CG2-SD 3.44Å; I25-M32 WeakPolarHBondContact CG2-SD 3.43Å; I25-L67 HydrophobicContact CD1-CD1 4.33Å; I25-L67 HydrophobicContact CG1-CD1 4.09Å; I25-L67 HydrophobicContact CG1-CD2 4.48Å
26R92.6Very high90Very high113 Ų11341.1 Ų41.143%0.42620%0.198SC..Hα-helixtrans-65.1-39.4178.8-75.7-71.3-170-174-5.2112.3F22 C23 K28 G29 F260F22-R26 HydrophobicContact CD2-CG 3.84Å; F22-R26 HydrophobicContact CE2-CG 3.53Å; F22-R26 HydrophobicContact CZ-CG 4.19Å; F22-R26 WeakPolarHBondContact O-CB 3.49Å; F22-R26 VanDerWaalsContact O-CG 3.24Å; F22-R26 WeakPolarHBondContact O-CG 3.25Å; F22-R26 PolarHBondContact O-N 3.08Å; C23-R26 PolarHBondContact O-N 2.99Å; C23-R26 VanDerWaalsContact O-N 3.14Å; R26-K28 VanDerWaalsContact C-N 3.33Å; R26-G29 PolarHBondContact O-N 3.48Å; R26-G29 VanDerWaalsContact O-N 3.09Å; R26-F260 HydrophobicContact CB-CZ 4.42Å; R26-F260 HydrophobicContact CG-CE1 4.37Å; R26-F260 HydrophobicContact CG-CZ 4.28Å
27F94.1Very high89.5Confident19 Ų1945.8 Ų45.88%0.08322%0.218CC..Hα-helixtrans-64.5-38.5177.8-69.9-6.8000111.9C23 Y24 G29 L74 P191 D195 A196 I255 Y259C23-F27 HydrophobicContact CB-CE2 4.39Å; C23-F27 HydrophobicContact CB-CZ 4.28Å; C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 WeakPolarHBondContact O-CD1 3.33Å; C23-F27 WeakPolarHBondContact O-CG 3.29Å; C23-F27 PolarHBondContact O-N 2.87Å; Y24-F27 PolarHBondContact O-N 3.37Å; F27-G29 PolarHBondContact O-N 3.38Å; F27-L74 HydrophobicContact CB-CD1 4.02Å; F27-L74 HydrophobicContact CB-CD2 4.1Å; F27-L74 HydrophobicContact CD2-CD1 4.25Å; F27-P191 HydrophobicContact CB-CB 4.24Å; F27-P191 HydrophobicContact CB-CG 3.95Å; F27-P191 HydrophobicContact CD1-CB 4.21Å; F27-P191 HydrophobicContact CD1-CG 4.22Å; F27-P191 HydrophobicContact CD2-CB 3.56Å; F27-P191 HydrophobicContact CD2-CG 4.19Å; F27-P191 HydrophobicContact CE1-CB 4.46Å; F27-P191 HydrophobicContact CE2-CB 3.8Å; F27-P191 HydrophobicContact CG-CB 3.76Å; F27-P191 HydrophobicContact CG-CG 3.87Å; F27-P191 HydrophobicContact CZ-CB 4.27Å; F27-D195 HydrophobicContact CE2-CB 3.97Å; F27-A196 HydrophobicContact CD2-CB 4.01Å; F27-A196 HydrophobicContact CE2-CB 3.76Å; F27-I255 HydrophobicContact CE1-CD1 4.37Å; F27-I255 HydrophobicContact CE1-CG2 3.81Å; F27-I255 HydrophobicContact CZ-CD1 4.07Å; F27-I255 HydrophobicContact CZ-CG2 3.7Å; F27-Y259 AromaticContact CD1-CD1 3.84Å; F27-Y259 HydrophobicContact CD1-CD1 3.84Å; F27-Y259 AromaticContact CD1-CD2 3.91Å; F27-Y259 HydrophobicContact CD1-CD2 3.91Å; F27-Y259 AromaticContact CD1-CE1 3.88Å; F27-Y259 HydrophobicContact CD1-CE1 3.88Å; F27-Y259 AromaticContact CD1-CE2 3.95Å; F27-Y259 HydrophobicContact CD1-CE2 3.95Å; F27-Y259 AromaticContact CD1-CG 3.86Å; F27-Y259 HydrophobicContact CD1-CG 3.86Å; F27-Y259 AromaticContact CD1-CZ 3.95Å; F27-Y259 HydrophobicContact CE1-CD1 4.24Å; F27-Y259 AromaticContact CE1-CD2 3.55Å; F27-Y259 HydrophobicContact CE1-CD2 3.55Å; F27-Y259 HydrophobicContact CE1-CE1 4.5Å; F27-Y259 AromaticContact CE1-CE2 3.85Å; F27-Y259 HydrophobicContact CE1-CE2 3.85Å; F27-Y259 AromaticContact CE1-CG 3.77Å; F27-Y259 HydrophobicContact CE1-CG 3.77Å
28K91.2Very high88.7Confident76 Ų7646.9 Ų46.933%0.3323%0.228SC..Hα-helixtrans-70.3-18.1174.1-168.759.5177.5-163.70113.1Y24 I25 R26 N71 Y72 G73 L74Y24-K28 PolarHBondContact O-N 3.5Å; I25-K28 PolarHBondContact O-N 3.38Å; R26-K28 VanDerWaalsContact C-N 3.33Å; K28-N71 WeakPolarHBondContact CE-O 3.41Å; K28-Y72 HydrophobicContact CG-CD1 3.88Å; K28-G73 PolarHBondContact NZ-O 3.28Å; K28-L74 HydrophobicContact CB-CD2 3.87Å; K28-L74 HydrophobicContact CD-CD2 4.12Å
29G88.4Confident87.8Confident57 Ų5747 Ų4759%0.58823%0.229SC*.THydrogen-bonded Turntrans76.921.5-176.600000113.7I25 R26 F27I25-G29 PolarHBondContact O-N 3.31Å; R26-G29 PolarHBondContact O-N 3.48Å; R26-G29 VanDerWaalsContact O-N 3.09Å; F27-G29 PolarHBondContact O-N 3.38Å
30A82.6Confident86.8Confident18 Ų1849.4 Ų49.415%0.14924%0.241CC..  trans-70.3133-178.100000111.8I25 M32 Y72I25-A30 HydrophobicContact CG2-CB 4.06Å; I25-A30 PolarHBondContact O-N 3.27Å; A30-M32 HydrophobicContact CB-CG 4.13Å; A30-M32 HydrophobicContact CB-SD 4.27Å; A30-M32 PolarHBondContact O-N 2.92Å; A30-M32 VanDerWaalsContact O-N 3.11Å; A30-Y72 HydrophobicContact CB-CD1 3.6Å; A30-Y72 HydrophobicContact CB-CE1 3.29Å
31R81Confident85.2Confident254 Ų25454.1 Ų54.196%0.95826%0.264SS*.  trans-79.889.5171.1-67.9-176.4178.8171.9-0109
32M82.1Confident83.5Confident20 Ų2061.5 Ų61.510%0.09930%0.302CS..  trans-114.6142.7177.2-69.3-17853.300110.9M1 L3 I25 A30 I34 L50M1-M32 HydrophobicContact CB-CE 3.84Å; M1-M32 HydrophobicContact CB-CG 4.22Å; M1-M32 HydrophobicContact CB-SD 4.34Å; M1-M32 HydrophobicContact SD-SD 4.5Å; L3-M32 HydrophobicContact CB-CE 3.96Å; I25-M32 HydrophobicContact CB-SD 4.15Å; I25-M32 HydrophobicContact CD1-CE 3.39Å; I25-M32 HydrophobicContact CD1-SD 3.53Å; I25-M32 VanDerWaalsContact CD1-SD 3.53Å; I25-M32 HydrophobicContact CG1-CE 4.15Å; I25-M32 HydrophobicContact CG1-SD 3.58Å; I25-M32 VanDerWaalsContact CG1-SD 3.58Å; I25-M32 HydrophobicContact CG2-CB 4.02Å; I25-M32 HydrophobicContact CG2-CE 4.46Å; I25-M32 HydrophobicContact CG2-CG 3.97Å; I25-M32 HydrophobicContact CG2-SD 3.44Å; I25-M32 WeakPolarHBondContact CG2-SD 3.43Å; A30-M32 HydrophobicContact CB-CG 4.13Å; A30-M32 HydrophobicContact CB-SD 4.27Å; A30-M32 PolarHBondContact O-N 2.92Å; A30-M32 VanDerWaalsContact O-N 3.11Å; M32-I34 PolarHBondContact O-N 3.49Å; M32-L50 HydrophobicContact CE-CD1 3.34Å
33N86.2Confident82Confident83 Ų8362.2 Ų62.244%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-74.7122.9172.4-173.612.6000108.5M1 D2 L3M1-N33 PolarHBondContact O-N 3.46Å; D2-N33 CarbonylContact C-O 3.6Å; D2-N33 WeakPolarHBondContact CA-O 3.35Å; D2-N33 VanDerWaalsContact OD1-CB 3.32Å; D2-N33 WeakPolarHBondContact OD1-CB 3.33Å; L3-N33 PolarHBondContact N-O 2.79Å
34I85.9Confident80.5Confident45 Ų4563.6 Ų63.623%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-108.3111.3-178.2-60.8139.2000107.6L3 I5 F22 M32 M36L3-I34 CarbonylContact O-C 3.57Å; L3-I34 WeakPolarHBondContact O-CA 3.24Å; I5-I34 HydrophobicContact CD1-CG2 3.62Å; I5-I34 HydrophobicContact CG1-CG2 4Å; F22-I34 HydrophobicContact CD2-CD1 4.07Å; F22-I34 HydrophobicContact CD2-CG1 4.33Å; F22-I34 HydrophobicContact CE2-CD1 3.29Å; F22-I34 HydrophobicContact CE2-CG1 3.99Å; F22-I34 HydrophobicContact CZ-CD1 3.95Å; M32-I34 PolarHBondContact O-N 3.49Å; I34-M36 HydrophobicContact CG2-CG 4.42Å
35Q86.1Confident79Confident70 Ų7069.4 Ų69.433%0.32734%0.343SS..EExtended strand (participates in β ladder)trans-98.7127.6175.5-62.4-175.913.400109.1L3 T4 I5L3-Q35 PolarHBondContact O-N 2.7Å; T4-Q35 CarbonylContact C-O 3.57Å; T4-Q35 VanDerWaalsContact CA-O 3.28Å; T4-Q35 WeakPolarHBondContact CA-O 3.25Å; T4-Q35 HydrophobicContact CG2-CB 4.18Å; I5-Q35 PolarHBondContact N-O 2.69Å
36M82.6Confident78.2Confident52 Ų5272 Ų7226%0.25636%0.356SS..EExtended strand (participates in β ladder)trans-103.1121.8179.1-61.8-170.984.200108.4I5 S7 E11 L13 I34I5-M36 HydrophobicContact CD1-CE 4.18Å; I5-M36 HydrophobicContact CD1-CG 4.29Å; I5-M36 HydrophobicContact CG1-CG 4.06Å; S7-M36 WeakPolarHBondContact OG-CE 3.42Å; E11-M36 HydrophobicContact CB-CE 4.06Å; E11-M36 HydrophobicContact CB-SD 3.69Å; E11-M36 HydrophobicContact CG-SD 3.99Å; E11-M36 WeakPolarHBondContact O-CE 3.44Å; L13-M36 HydrophobicContact CD2-CE 3.81Å; L13-M36 HydrophobicContact CG-CE 4.38Å; I34-M36 HydrophobicContact CG2-CG 4.42Å
37K82.4Confident77.9Confident99 Ų9967.8 Ų67.843%0.4334%0.341SS..EExtended strand (participates in β ladder)trans-118.7144.3179.5-71.1-168.6-172.7172.50111.5T4 I5 S7 F47T4-K37 HydrophobicContact CG2-CB 4.14Å; T4-K37 HydrophobicContact CG2-CD 3.56Å; T4-K37 HydrophobicContact CG2-CG 3.61Å; I5-K37 PolarHBondContact O-N 2.89Å; S7-K37 PolarHBondContact N-O 3.45Å; K37-F47 HydrophobicContact CB-CE1 4.25Å; K37-F47 HydrophobicContact CB-CZ 3.86Å; K37-F47 HydrophobicContact CD-CE1 4.47Å; K37-F47 HydrophobicContact CD-CZ 4.29Å
38V77.2Confident77.7Confident68 Ų6866.9 Ų66.941%0.41234%0.337SS..  trans-77.4142.5170.3174.20000108.4S123 I124V38-S123 VanDerWaalsContact CG1-OG 3.3Å; V38-S123 WeakPolarHBondContact CG1-OG 3.48Å; V38-I124 HydrophobicContact CG1-CG2 3.43Å; V38-I124 VanDerWaalsContact CG1-CG2 3.43Å
39P72.2Confident77.7Confident4 Ų464.1 Ų64.13%0.02633%0.326CS..  trans-59.9145.1179.711-19.3000113.7L6 Y120 F121 I124 W136L6-P39 HydrophobicContact CD1-CB 3.75Å; L6-P39 HydrophobicContact CD1-CG 3.84Å; P39-Y120 WeakPolarHBondContact CG-O 3.29Å; P39-F121 HydrophobicContact CB-CE1 4.26Å; P39-F121 HydrophobicContact CG-CD1 4.09Å; P39-F121 HydrophobicContact CG-CE1 4.18Å; P39-I124 HydrophobicContact CG-CG2 4.4Å; P39-I124 WeakPolarHBondContact O-CG2 3.36Å; P39-W136 HydrophobicContact CB-CH2 3.62Å; P39-W136 HydrophobicContact CB-CZ2 3.55Å; P39-W136 HydrophobicContact CB-CZ3 4.45Å
40D72.5Confident77.8Confident51 Ų5161.4 Ų61.427%0.27330%0.298SS..  trans-134.3180167.874.621.5000111.7L42 T43D40-L42 PolarHBondContact OD1-N 2.98Å; D40-T43 VanDerWaalsContact CG-OG1 3.27Å; D40-T43 PolarHBondContact N-OG1 3.38Å; D40-T43 VanDerWaalsContact N-OG1 3.14Å; D40-T43 PolarHBondContact O-OG1 3.49Å; D40-T43 VanDerWaalsContact OD1-CB 3.22Å; D40-T43 WeakPolarHBondContact OD1-CB 3.35Å; D40-T43 WeakPolarHBondContact OD1-CG2 3.48Å; D40-T43 PolarHBondContact OD1-N 3.03Å; D40-T43 PolarHBondContact OD1-OG1 3.43Å
41Q62.4Low78.2Confident100 Ų10062 Ų6247%0.46730%0.301SS..SBendtrans-66-35.1179.8-94.7-173.2-40.100114.1T43 V44 Y131 I132Q41-T43 VanDerWaalsContact C-N 3.34Å; Q41-V44 VanDerWaalsContact O-CG2 3.27Å; Q41-V44 WeakPolarHBondContact O-CG2 3.36Å; Q41-Y131 HydrophobicContact CG-CD2 4.49Å; Q41-Y131 HydrophobicContact CG-CE2 3.43Å; Q41-Y131 VanDerWaalsContact CG-CE2 3.43Å; Q41-Y131 VanDerWaalsContact NE2-CZ 3.27Å; Q41-Y131 PolarHBondContact NE2-OH 2.78Å; Q41-Y131 PolarHBondContact OE1-OH 2.99Å; Q41-I132 HydrophobicContact CB-CD1 4.44Å; Q41-I132 HydrophobicContact CG-CD1 3.86Å; Q41-I132 HydrophobicContact CG-CG1 3.78Å
42L58.5Low78.7Confident154 Ų15451.6 Ų51.681%0.80626%0.264SS*.SBendtrans-83.6-19.1-172.2-68.9166.4000111.3D40D40-L42 PolarHBondContact OD1-N 2.98Å
43T62.7Low79Confident20 Ų2057.1 Ų57.112%0.12329%0.293CS..  trans-101.14.3-17053.50000115D40 Q41 E45 N46 F47D40-T43 VanDerWaalsContact CG-OG1 3.27Å; D40-T43 PolarHBondContact N-OG1 3.38Å; D40-T43 VanDerWaalsContact N-OG1 3.14Å; D40-T43 PolarHBondContact O-OG1 3.49Å; D40-T43 VanDerWaalsContact OD1-CB 3.22Å; D40-T43 WeakPolarHBondContact OD1-CB 3.35Å; D40-T43 WeakPolarHBondContact OD1-CG2 3.48Å; D40-T43 PolarHBondContact OD1-N 3.03Å; D40-T43 PolarHBondContact OD1-OG1 3.43Å; Q41-T43 VanDerWaalsContact C-N 3.34Å; T43-E45 PolarHBondContact O-N 3.12Å; T43-N46 PolarHBondContact O-N 2.99Å; T43-F47 HydrophobicContact CG2-CE2 3.86Å; T43-F47 HydrophobicContact CG2-CZ 3.87Å; T43-F47 WeakPolarHBondContact OG1-CE2 3.25Å
44V61.2Low79Confident29 Ų2957.3 Ų57.318%0.17632%0.315CS..THydrogen-bonded Turntrans-51.5-36.3-172.4-172.60000114.7Q41 W136 K139Q41-V44 VanDerWaalsContact O-CG2 3.27Å; Q41-V44 WeakPolarHBondContact O-CG2 3.36Å; V44-W136 VanDerWaalsContact CA-CZ2 3.48Å; V44-W136 HydrophobicContact CB-CD2 4.43Å; V44-W136 HydrophobicContact CB-CZ2 4.01Å; V44-W136 VanDerWaalsContact CG1-CD1 3.47Å; V44-W136 HydrophobicContact CG1-CD2 3.66Å; V44-W136 VanDerWaalsContact CG1-CE2 3.5Å; V44-W136 HydrophobicContact CG1-CE3 4.4Å; V44-W136 HydrophobicContact CG1-CG 3.67Å; V44-W136 HydrophobicContact CG1-CZ2 4.11Å; V44-W136 HydrophobicContact CG2-CZ2 4Å; V44-K139 HydrophobicContact CG1-CD 4.47Å
45E64.6Low79.3Confident122 Ų12261.6 Ų61.657%0.5733%0.332SS*.THydrogen-bonded Turntrans-100.3-15.9177.9-70.4-169.3-177.800114.6T43 F47 K139T43-E45 PolarHBondContact O-N 3.12Å; E45-F47 VanDerWaalsContact C-N 3.32Å; E45-F47 PolarHBondContact O-N 3.4Å; E45-K139 WeakPolarHBondContact OE1-CE 3.45Å; E45-K139 IonicContact OE1-NZ 3.83Å; E45-K139 PolarHBondContact OE1-NZ 2.94Å
46N75.9Confident79.6Confident57 Ų5762.7 Ų62.731%0.30534%0.34SS..THydrogen-bonded Turntrans-82.9-19.6-159.4-68.6-8.7000111.5T43 P48 I49 H58T43-N46 PolarHBondContact O-N 2.99Å; N46-P48 CarbonylContact O-C 3.24Å; N46-P48 VanDerWaalsContact O-C 3.24Å; N46-I49 HydrophobicContact CB-CD1 4.01Å; N46-I49 HydrophobicContact CB-CG1 4.09Å; N46-I49 WeakPolarHBondContact O-CG1 3.48Å; N46-H58 PolarHBondContact O-ND1 3.1Å; N46-H58 VanDerWaalsContact O-ND1 3.11Å
47F85.8Confident80.1Confident25 Ų2562.5 Ų62.511%0.1134%0.337CS..  trans-83.9142.8179.7-63.6-61.7000113.1T4 L6 K37 T43 E45 I49T4-F47 HydrophobicContact CG2-CD1 4.3Å; T4-F47 HydrophobicContact CG2-CE1 3.58Å; L6-F47 HydrophobicContact CB-CB 4.41Å; L6-F47 HydrophobicContact CB-CD2 4.47Å; L6-F47 HydrophobicContact CB-CG 4.45Å; L6-F47 HydrophobicContact CD1-CD2 3.92Å; L6-F47 HydrophobicContact CD1-CE2 4.06Å; K37-F47 HydrophobicContact CB-CE1 4.25Å; K37-F47 HydrophobicContact CB-CZ 3.86Å; K37-F47 HydrophobicContact CD-CE1 4.47Å; K37-F47 HydrophobicContact CD-CZ 4.29Å; T43-F47 HydrophobicContact CG2-CE2 3.86Å; T43-F47 HydrophobicContact CG2-CZ 3.87Å; T43-F47 WeakPolarHBondContact OG1-CE2 3.25Å; E45-F47 VanDerWaalsContact C-N 3.32Å; E45-F47 PolarHBondContact O-N 3.4Å; F47-I49 HydrophobicContact CD1-CD1 3.96Å; F47-I49 HydrophobicContact CD1-CG1 3.93Å; F47-I49 HydrophobicContact CE1-CD1 3.73Å; F47-I49 HydrophobicContact CE1-CG1 4.22Å; F47-I49 HydrophobicContact CZ-CD1 4.5Å
48P90.1Very high80.4Confident1 Ų160.7 Ų60.71%0.00633%0.33CS..SBendcis-66.6148-9.525.8-31.4000112.1L3 I5 I21 N46 I63L3-P48 HydrophobicContact CD1-CB 4.27Å; I5-P48 HydrophobicContact CG2-CB 4.43Å; I21-P48 HydrophobicContact CB-CB 4.43Å; I21-P48 HydrophobicContact CB-CG 4.15Å; I21-P48 HydrophobicContact CG1-CB 4.34Å; I21-P48 HydrophobicContact CG1-CG 3.58Å; N46-P48 CarbonylContact O-C 3.24Å; N46-P48 VanDerWaalsContact O-C 3.24Å; P48-I63 HydrophobicContact CB-CD1 4.25Å; P48-I63 HydrophobicContact CG-CD1 3.94Å; P48-I63 WeakPolarHBondContact O-CD1 3.48Å
49I90.5Very high81Confident17 Ų1765.7 Ų65.79%0.08734%0.341CS..EExtended strand (participates in β ladder)trans-110.9125.7174.6-53.3168.5000107.8T4 N46 F47 D56T4-I49 PolarHBondContact N-O 3.28Å; T4-I49 PolarHBondContact O-N 2.95Å; N46-I49 HydrophobicContact CB-CD1 4.01Å; N46-I49 HydrophobicContact CB-CG1 4.09Å; N46-I49 WeakPolarHBondContact O-CG1 3.48Å; F47-I49 HydrophobicContact CD1-CD1 3.96Å; F47-I49 HydrophobicContact CD1-CG1 3.93Å; F47-I49 HydrophobicContact CE1-CD1 3.73Å; F47-I49 HydrophobicContact CE1-CG1 4.22Å; F47-I49 HydrophobicContact CZ-CD1 4.5Å; I49-D56 HydrophobicContact CG2-CB 4.11Å
50L91.3Very high82Confident0 Ų066 Ų660%034%0.343CS..EExtended strand (participates in β ladder)trans-105.8118.4168.9178.766.7000109.2M1 M32 Y57 I63 Y66 L67M1-L50 HydrophobicContact CB-CD1 4.35Å; M32-L50 HydrophobicContact CE-CD1 3.34Å; L50-Y57 PolarHBondContact N-O 3.37Å; L50-Y57 WeakPolarHBondContact O-CD2 3.22Å; L50-Y57 PolarHBondContact O-N 3.14Å; L50-I63 HydrophobicContact CB-CD1 4.37Å; L50-I63 HydrophobicContact CB-CG1 4.11Å; L50-I63 HydrophobicContact CB-CG2 4.06Å; L50-I63 HydrophobicContact CD2-CG2 3.94Å; L50-Y66 HydrophobicContact CD2-CD1 3.55Å; L50-Y66 HydrophobicContact CD2-CE1 4.14Å; L50-L67 HydrophobicContact CD2-CD2 3.84Å; L50-L67 HydrophobicContact CD2-CG 4.03Å
51S90.8Very high82.9Confident32 Ų3266.9 Ų66.922%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-104.9124176.7-58.40000110.2M1 D2 K55 D56M1-S51 WeakPolarHBondContact CA-O 3.38Å; D2-S51 PolarHBondContact N-O 2.82Å; D2-S51 PolarHBondContact O-N 2.99Å; S51-K55 WeakPolarHBondContact CA-O 3.39Å; S51-D56 VanDerWaalsContact CB-OD1 3.28Å; S51-D56 WeakPolarHBondContact CB-OD1 3.49Å; S51-D56 PolarHBondContact OG-OD1 3.28Å
52H91.1Very high84.4Confident35 Ų3565.4 Ų65.416%0.16235%0.349CS..EExtended strand (participates in β ladder)trans-146.9132.6175.2-168.6-128.6000110.8M1 G54 K55 Y66M1-H52 HydrophobicContact CG-CB 4.01Å; M1-H52 WeakPolarHBondContact CG-CD2 3.49Å; H52-G54 VanDerWaalsContact C-N 3.25Å; H52-G54 PolarHBondContact O-N 3.41Å; H52-K55 PolarHBondContact N-O 2.82Å; H52-K55 PolarHBondContact O-N 3.37Å; H52-Y66 HydrophobicContact CB-CE1 4.04Å; H52-Y66 AromaticContact ND1-CZ 3.78Å; H52-Y66 PolarHBondContact ND1-OH 3.43Å
53D88.2Confident86.1Confident136 Ų13658.1 Ų58.173%0.72731%0.311SS*.THydrogen-bonded Turntrans49.242.1178.6-60-21.8000114.4K55D53-K55 PolarHBondContact O-N 3.01Å
54G88Confident87.7Confident87 Ų8757.2 Ų57.290%0.89731%0.306SS*.THydrogen-bonded Turntrans73.39.518000000115H52H52-G54 VanDerWaalsContact C-N 3.25Å; H52-G54 PolarHBondContact O-N 3.41Å
55K92.3Very high89.2Confident134 Ų13460 Ų6058%0.58332%0.323SS*.EExtended strand (participates in β ladder)trans-111.3137.7173.7-65.6177.8-178.81740110.7S51 H52 D53 Y57S51-K55 WeakPolarHBondContact CA-O 3.39Å; H52-K55 PolarHBondContact N-O 2.82Å; H52-K55 PolarHBondContact O-N 3.37Å; D53-K55 PolarHBondContact O-N 3.01Å; K55-Y57 HydrophobicContact CB-CE2 4.03Å
56D91.4Very high90.6Very high94 Ų9455.1 Ų55.150%0.50330%0.299SS..EExtended strand (participates in β ladder)trans-104.5129.1174.9-68.8-14.3000110.1I49 S51I49-D56 HydrophobicContact CG2-CB 4.11Å; S51-D56 VanDerWaalsContact CB-OD1 3.28Å; S51-D56 WeakPolarHBondContact CB-OD1 3.49Å; S51-D56 PolarHBondContact OG-OD1 3.28Å
57Y92.2Very high91.5Very high47 Ų4752.4 Ų52.418%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-110129.3175.5-57.1-86.9000109L50 K55 V62 Y66L50-Y57 PolarHBondContact N-O 3.37Å; L50-Y57 WeakPolarHBondContact O-CD2 3.22Å; L50-Y57 PolarHBondContact O-N 3.14Å; K55-Y57 HydrophobicContact CB-CE2 4.03Å; Y57-V62 HydrophobicContact CD1-CG1 4.22Å; Y57-Y66 HydrophobicContact CD1-CD2 4.2Å; Y57-Y66 HydrophobicContact CD1-CG 4.17Å; Y57-Y66 AromaticContact CD2-CD1 3.98Å; Y57-Y66 HydrophobicContact CD2-CD1 3.98Å; Y57-Y66 HydrophobicContact CD2-CD2 4.39Å; Y57-Y66 HydrophobicContact CD2-CE1 4.18Å; Y57-Y66 HydrophobicContact CD2-CG 4.07Å; Y57-Y66 AromaticContact CE1-CD2 3.58Å; Y57-Y66 HydrophobicContact CE1-CD2 3.58Å; Y57-Y66 HydrophobicContact CE1-CE2 4.05Å; Y57-Y66 HydrophobicContact CE1-CG 4.01Å; Y57-Y66 AromaticContact CE2-CD1 3.89Å; Y57-Y66 HydrophobicContact CE2-CD1 3.89Å; Y57-Y66 AromaticContact CE2-CD2 3.81Å; Y57-Y66 HydrophobicContact CE2-CD2 3.81Å; Y57-Y66 AromaticContact CE2-CE1 3.72Å; Y57-Y66 HydrophobicContact CE2-CE1 3.72Å; Y57-Y66 AromaticContact CE2-CE2 3.72Å; Y57-Y66 HydrophobicContact CE2-CE2 3.72Å; Y57-Y66 AromaticContact CE2-CG 3.91Å; Y57-Y66 HydrophobicContact CE2-CG 3.91Å; Y57-Y66 AromaticContact CE2-CZ 3.66Å; Y57-Y66 HydrophobicContact CG-CD1 4.48Å; Y57-Y66 HydrophobicContact CG-CG 4.21Å; Y57-Y66 AromaticContact CZ-CD2 3.36Å; Y57-Y66 AromaticContact CZ-CE2 3.36Å; Y57-Y66 AromaticContact CZ-CG 3.88Å; Y57-Y66 AromaticContact CZ-CZ 3.81Å; Y57-Y66 WeakPolarHBondContact OH-CE2 3.45Å
58H90.5Very high91.8Very high62 Ų6255.1 Ų55.129%0.28729%0.294SS..EExtended strand (participates in β ladder)trans-117.7155.1-177.9-57.6-70.9000110.7N46 V62N46-H58 PolarHBondContact O-ND1 3.1Å; N46-H58 VanDerWaalsContact O-ND1 3.11Å; H58-V62 VanDerWaalsContact O-CB 3.31Å; H58-V62 WeakPolarHBondContact O-CB 3.44Å
59R89.6Confident91.9Very high173 Ų17362.7 Ų62.765%0.65333%0.327SS*.SBendtrans70.6139.7-179.1-47.9174.462.7179.6-0.5113.3V62 I63R59-V62 PolarHBondContact O-N 2.87Å; R59-I63 WeakPolarHBondContact O-CG1 3.28Å; R59-I63 PolarHBondContact O-N 3.08Å
60T92.2Very high91.9Very high9 Ų965 Ų656%0.05534%0.337CS..Hα-helixtrans-51.4-49.3-178.1-51.20000113.9E17 L20 I21 V62 I63 L64E17-T60 VanDerWaalsContact OE2-CB 3.3Å; E17-T60 WeakPolarHBondContact OE2-CB 3.46Å; E17-T60 PolarHBondContact OE2-OG1 3.3Å; L20-T60 HydrophobicContact CD2-CG2 3.45Å; L20-T60 VanDerWaalsContact CD2-CG2 3.45Å; L20-T60 HydrophobicContact CG-CG2 4.13Å; I21-T60 HydrophobicContact CD1-CG2 3.75Å; I21-T60 HydrophobicContact CG1-CG2 4.3Å; T60-V62 PolarHBondContact O-N 3.17Å; T60-I63 PolarHBondContact O-N 2.93Å; T60-L64 HydrophobicContact CG2-CD1 3.89Å; T60-L64 HydrophobicContact CG2-CG 4.23Å; T60-L64 WeakPolarHBondContact O-CB 3.33Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 2.85Å
61P92.6Very high91.8Very high71 Ų7170.7 Ų70.746%0.46137%0.368SS..Hα-helixtrans-65-36.6-176.2-23.235.9000113.7T65P61-T65 WeakPolarHBondContact O-CB 3.43Å; P61-T65 PolarHBondContact O-N 3.3Å; P61-T65 PolarHBondContact O-OG1 3.17Å
62V93.9Very high91.8Very high69 Ų6972.3 Ų72.342%0.41837%0.369SS..Hα-helixtrans-70.6-43.8178.7-178.40000110Y57 H58 R59 T60 T65 Y66Y57-V62 HydrophobicContact CD1-CG1 4.22Å; H58-V62 VanDerWaalsContact O-CB 3.31Å; H58-V62 WeakPolarHBondContact O-CB 3.44Å; R59-V62 PolarHBondContact O-N 2.87Å; T60-V62 PolarHBondContact O-N 3.17Å; V62-T65 PolarHBondContact O-N 2.8Å; V62-Y66 WeakPolarHBondContact O-CB 3.39Å; V62-Y66 PolarHBondContact O-N 2.79Å
63I94.2Very high91.9Very high0 Ų070.6 Ų70.60%036%0.362CS..Hα-helixtrans-63-46.3178.1-67.4167.8000110.9I21 P48 L50 R59 T60 T65 Y66 L67I21-I63 HydrophobicContact CD1-CB 4.19Å; I21-I63 HydrophobicContact CD1-CG2 3.81Å; I21-I63 HydrophobicContact CG1-CG2 4.18Å; I21-I63 HydrophobicContact CG2-CG2 3.87Å; P48-I63 HydrophobicContact CB-CD1 4.25Å; P48-I63 HydrophobicContact CG-CD1 3.94Å; P48-I63 WeakPolarHBondContact O-CD1 3.48Å; L50-I63 HydrophobicContact CB-CD1 4.37Å; L50-I63 HydrophobicContact CB-CG1 4.11Å; L50-I63 HydrophobicContact CB-CG2 4.06Å; L50-I63 HydrophobicContact CD2-CG2 3.94Å; R59-I63 WeakPolarHBondContact O-CG1 3.28Å; R59-I63 PolarHBondContact O-N 3.08Å; T60-I63 PolarHBondContact O-N 2.93Å; I63-T65 VanDerWaalsContact C-N 3.32Å; I63-T65 PolarHBondContact O-N 3.12Å; I63-Y66 PolarHBondContact O-N 3.29Å; I63-L67 HydrophobicContact CG2-CD1 3.9Å; I63-L67 HydrophobicContact CG2-CG 4.26Å; I63-L67 WeakPolarHBondContact O-CB 3.4Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.35Å; I63-L67 PolarHBondContact O-N 3.47Å
64L94.3Very high92Very high2 Ų264.4 Ų64.41%0.0133%0.328CS..Hα-helixtrans-61.7-41.3176.6-70.6178.3000111.7I21 Y24 T60 Y66 L67 R68 Y197I21-L64 HydrophobicContact CD1-CD2 3.64Å; I21-L64 HydrophobicContact CD1-CG 3.75Å; Y24-L64 HydrophobicContact CD1-CD2 4.05Å; Y24-L64 HydrophobicContact CD2-CD2 3.58Å; Y24-L64 HydrophobicContact CE1-CD2 4.23Å; Y24-L64 HydrophobicContact CE2-CD2 3.78Å; Y24-L64 HydrophobicContact CG-CD2 3.73Å; T60-L64 HydrophobicContact CG2-CD1 3.89Å; T60-L64 HydrophobicContact CG2-CG 4.23Å; T60-L64 WeakPolarHBondContact O-CB 3.33Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 2.85Å; L64-Y66 VanDerWaalsContact C-N 3.31Å; L64-Y66 PolarHBondContact O-N 3.2Å; L64-L67 PolarHBondContact O-N 3.3Å; L64-R68 WeakPolarHBondContact O-CB 3.39Å; L64-R68 VanDerWaalsContact O-CG 3.25Å; L64-R68 WeakPolarHBondContact O-CG 3.47Å; L64-R68 PolarHBondContact O-N 3.25Å; L64-Y197 HydrophobicContact CD1-CE2 4.04Å
65T94.3Very high92Very high87 Ų8762.1 Ų62.153%0.53429%0.294SS..Hα-helixtrans-62-41.4175.7-57.80000111.5P61 V62 I63 K69P61-T65 WeakPolarHBondContact O-CB 3.43Å; P61-T65 PolarHBondContact O-N 3.3Å; P61-T65 PolarHBondContact O-OG1 3.17Å; V62-T65 PolarHBondContact O-N 2.8Å; I63-T65 VanDerWaalsContact C-N 3.32Å; I63-T65 PolarHBondContact O-N 3.12Å; T65-K69 PolarHBondContact O-N 2.93Å
66Y94.2Very high91.8Very high20 Ų2061.1 Ų61.18%0.07829%0.288CS..Hα-helixtrans-66.7-47.3176.6-175.5-101.6000112.3M1 L50 H52 Y57 V62 I63 L64 R68 K69 E70M1-Y66 HydrophobicContact CE-CE1 4.33Å; L50-Y66 HydrophobicContact CD2-CD1 3.55Å; L50-Y66 HydrophobicContact CD2-CE1 4.14Å; H52-Y66 HydrophobicContact CB-CE1 4.04Å; H52-Y66 AromaticContact ND1-CZ 3.78Å; H52-Y66 PolarHBondContact ND1-OH 3.43Å; Y57-Y66 HydrophobicContact CD1-CD2 4.2Å; Y57-Y66 HydrophobicContact CD1-CG 4.17Å; Y57-Y66 AromaticContact CD2-CD1 3.98Å; Y57-Y66 HydrophobicContact CD2-CD1 3.98Å; Y57-Y66 HydrophobicContact CD2-CD2 4.39Å; Y57-Y66 HydrophobicContact CD2-CE1 4.18Å; Y57-Y66 HydrophobicContact CD2-CG 4.07Å; Y57-Y66 AromaticContact CE1-CD2 3.58Å; Y57-Y66 HydrophobicContact CE1-CD2 3.58Å; Y57-Y66 HydrophobicContact CE1-CE2 4.05Å; Y57-Y66 HydrophobicContact CE1-CG 4.01Å; Y57-Y66 AromaticContact CE2-CD1 3.89Å; Y57-Y66 HydrophobicContact CE2-CD1 3.89Å; Y57-Y66 AromaticContact CE2-CD2 3.81Å; Y57-Y66 HydrophobicContact CE2-CD2 3.81Å; Y57-Y66 AromaticContact CE2-CE1 3.72Å; Y57-Y66 HydrophobicContact CE2-CE1 3.72Å; Y57-Y66 AromaticContact CE2-CE2 3.72Å; Y57-Y66 HydrophobicContact CE2-CE2 3.72Å; Y57-Y66 AromaticContact CE2-CG 3.91Å; Y57-Y66 HydrophobicContact CE2-CG 3.91Å; Y57-Y66 AromaticContact CE2-CZ 3.66Å; Y57-Y66 HydrophobicContact CG-CD1 4.48Å; Y57-Y66 HydrophobicContact CG-CG 4.21Å; Y57-Y66 AromaticContact CZ-CD2 3.36Å; Y57-Y66 AromaticContact CZ-CE2 3.36Å; Y57-Y66 AromaticContact CZ-CG 3.88Å; Y57-Y66 AromaticContact CZ-CZ 3.81Å; Y57-Y66 WeakPolarHBondContact OH-CE2 3.45Å; V62-Y66 WeakPolarHBondContact O-CB 3.39Å; V62-Y66 PolarHBondContact O-N 2.79Å; I63-Y66 PolarHBondContact O-N 3.29Å; L64-Y66 VanDerWaalsContact C-N 3.31Å; L64-Y66 PolarHBondContact O-N 3.2Å; Y66-R68 VanDerWaalsContact C-N 3.27Å; Y66-R68 PolarHBondContact O-N 3.04Å; Y66-K69 WeakPolarHBondContact O-CA 3.36Å; Y66-K69 WeakPolarHBondContact O-CB 3.25Å; Y66-K69 PolarHBondContact O-N 2.76Å; Y66-E70 HydrophobicContact CD1-CG 4.15Å; Y66-E70 HydrophobicContact CE1-CG 3.57Å; Y66-E70 HydrophobicContact CE2-CG 3.96Å; Y66-E70 WeakPolarHBondContact CE2-OE1 3.4Å; Y66-E70 VanDerWaalsContact CZ-CG 3.42Å; Y66-E70 WeakPolarHBondContact O-CG 3.41Å; Y66-E70 PolarHBondContact O-N 3.42Å; Y66-E70 WeakPolarHBondContact OH-CG 3.27Å; Y66-E70 PolarHBondContact OH-OE1 3.13Å
67L93.2Very high91.5Very high0 Ų062.3 Ų62.30%029%0.294CS..Hα-helixtrans-57.7-41.5176.4-74.1174.2000111.5Y24 I25 L50 I63 L64 E70 N71 Y72Y24-L67 HydrophobicContact CD1-CD1 3.81Å; Y24-L67 HydrophobicContact CE1-CB 4.12Å; Y24-L67 HydrophobicContact CE1-CD1 4.05Å; I25-L67 HydrophobicContact CD1-CD1 4.33Å; I25-L67 HydrophobicContact CG1-CD1 4.09Å; I25-L67 HydrophobicContact CG1-CD2 4.48Å; L50-L67 HydrophobicContact CD2-CD2 3.84Å; L50-L67 HydrophobicContact CD2-CG 4.03Å; I63-L67 HydrophobicContact CG2-CD1 3.9Å; I63-L67 HydrophobicContact CG2-CG 4.26Å; I63-L67 WeakPolarHBondContact O-CB 3.4Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.35Å; I63-L67 PolarHBondContact O-N 3.47Å; L64-L67 PolarHBondContact O-N 3.3Å; L67-E70 CarbonylContact O-C 3.58Å; L67-E70 PolarHBondContact O-N 2.67Å; L67-N71 PolarHBondContact O-N 3.38Å; L67-Y72 HydrophobicContact CD2-CD2 4.21Å; L67-Y72 HydrophobicContact CD2-CG 4.36Å; L67-Y72 WeakPolarHBondContact O-CA 3.42Å; L67-Y72 VanDerWaalsContact O-CB 3.29Å; L67-Y72 WeakPolarHBondContact O-CB 3.25Å; L67-Y72 PolarHBondContact O-N 3.35Å
68R93Very high91.3Very high81 Ų8161.3 Ų61.331%0.30629%0.292SS..Iπ-helixtrans-57.9-54.9170.5-70.6168-173.7141.4-1109.8L64 Y66 E70 N71 E75 Y76L64-R68 WeakPolarHBondContact O-CB 3.39Å; L64-R68 VanDerWaalsContact O-CG 3.25Å; L64-R68 WeakPolarHBondContact O-CG 3.47Å; L64-R68 PolarHBondContact O-N 3.25Å; Y66-R68 VanDerWaalsContact C-N 3.27Å; Y66-R68 PolarHBondContact O-N 3.04Å; R68-E70 PolarHBondContact O-N 2.99Å; R68-N71 PolarHBondContact O-N 3.4Å; R68-E75 IonicContact CZ-OE1 3.99Å; R68-E75 IonicContact NE-OE1 3.2Å; R68-E75 PolarHBondContact NE-OE1 2.94Å; R68-E75 IonicContact NE-OE2 2.65Å; R68-E75 IonicContact NH2-OE1 2.67Å; R68-E75 PolarHBondContact NH2-OE1 3.01Å; R68-Y76 VanDerWaalsContact C-OH 3.31Å; R68-Y76 PolarHBondContact O-OH 2.9Å
69K92.2Very high91.4Very high161 Ų16161.1 Ų61.170%0.730%0.298SS*.Iπ-helixtrans-51.4-35.1179.1-172.2-179.2175.7-1760113.8T65 Y66 N71T65-K69 PolarHBondContact O-N 2.93Å; Y66-K69 WeakPolarHBondContact O-CA 3.36Å; Y66-K69 WeakPolarHBondContact O-CB 3.25Å; Y66-K69 PolarHBondContact O-N 2.76Å; K69-N71 VanDerWaalsContact C-N 3.29Å; K69-N71 PolarHBondContact O-N 3.17Å
70E90.8Very high91.5Very high65 Ų6560 Ų6030%0.30431%0.305SS..Iπ-helixtrans-87.620.9178.2-59.9-64.3151.100114.3M1 Y66 L67 R68 Y72M1-E70 HydrophobicContact CE-CB 3.69Å; M1-E70 HydrophobicContact CE-CG 3.66Å; Y66-E70 HydrophobicContact CD1-CG 4.15Å; Y66-E70 HydrophobicContact CE1-CG 3.57Å; Y66-E70 HydrophobicContact CE2-CG 3.96Å; Y66-E70 WeakPolarHBondContact CE2-OE1 3.4Å; Y66-E70 VanDerWaalsContact CZ-CG 3.42Å; Y66-E70 WeakPolarHBondContact O-CG 3.41Å; Y66-E70 PolarHBondContact O-N 3.42Å; Y66-E70 WeakPolarHBondContact OH-CG 3.27Å; Y66-E70 PolarHBondContact OH-OE1 3.13Å; L67-E70 CarbonylContact O-C 3.58Å; L67-E70 PolarHBondContact O-N 2.67Å; R68-E70 PolarHBondContact O-N 2.99Å; E70-Y72 VanDerWaalsContact C-N 3.27Å; E70-Y72 HydrophobicContact CB-CD2 3.84Å; E70-Y72 HydrophobicContact CB-CE2 4.1Å; E70-Y72 VanDerWaalsContact O-CD2 3.3Å; E70-Y72 WeakPolarHBondContact O-CD2 3.37Å; E70-Y72 PolarHBondContact O-N 2.82Å
71N89.7Confident91.5Very high120 Ų12066 Ų6664%0.64234%0.335SS*.Iπ-helixtrans65.617179.8-58.3-57000116.1K28 L67 R68 K69 G73K28-N71 WeakPolarHBondContact CE-O 3.41Å; L67-N71 PolarHBondContact O-N 3.38Å; R68-N71 PolarHBondContact O-N 3.4Å; K69-N71 VanDerWaalsContact C-N 3.29Å; K69-N71 PolarHBondContact O-N 3.17Å; N71-G73 VanDerWaalsContact C-N 3.27Å; N71-G73 PolarHBondContact O-N 2.89Å
72Y90.8Very high91.5Very high65 Ų6565.4 Ų65.426%0.25533%0.326SS..Iπ-helixtrans-88.713170.9-63-79.3000113.2M1 Y24 K28 A30 L67 E70 L74M1-Y72 HydrophobicContact CE-CD2 4.24Å; M1-Y72 HydrophobicContact CE-CE2 3.56Å; M1-Y72 HydrophobicContact SD-CD2 4.18Å; M1-Y72 HydrophobicContact SD-CE2 3.58Å; M1-Y72 VanDerWaalsContact SD-CE2 3.58Å; Y24-Y72 WeakPolarHBondContact CE1-O 3.37Å; Y24-Y72 PolarHBondContact OH-O 3.22Å; K28-Y72 HydrophobicContact CG-CD1 3.88Å; A30-Y72 HydrophobicContact CB-CD1 3.6Å; A30-Y72 HydrophobicContact CB-CE1 3.29Å; L67-Y72 HydrophobicContact CD2-CD2 4.21Å; L67-Y72 HydrophobicContact CD2-CG 4.36Å; L67-Y72 WeakPolarHBondContact O-CA 3.42Å; L67-Y72 VanDerWaalsContact O-CB 3.29Å; L67-Y72 WeakPolarHBondContact O-CB 3.25Å; L67-Y72 PolarHBondContact O-N 3.35Å; E70-Y72 VanDerWaalsContact C-N 3.27Å; E70-Y72 HydrophobicContact CB-CD2 3.84Å; E70-Y72 HydrophobicContact CB-CE2 4.1Å; E70-Y72 VanDerWaalsContact O-CD2 3.3Å; E70-Y72 WeakPolarHBondContact O-CD2 3.37Å; E70-Y72 PolarHBondContact O-N 2.82Å; Y72-L74 PolarHBondContact O-N 2.96Å
73G91.8Very high91.5Very high0 Ų063.3 Ų63.30%032%0.318CS..  trans-51130.4169.500000112.6Y24 K28 N71 E75 Y76Y24-G73 VanDerWaalsContact OH-CA 3.28Å; Y24-G73 WeakPolarHBondContact OH-CA 3.47Å; K28-G73 PolarHBondContact NZ-O 3.28Å; N71-G73 VanDerWaalsContact C-N 3.27Å; N71-G73 PolarHBondContact O-N 2.89Å; G73-E75 VanDerWaalsContact C-N 3.35Å; G73-Y76 WeakPolarHBondContact O-CD2 3.38Å
74L91.7Very high91.4Very high5 Ų568.4 Ų68.43%0.02635%0.349CS..SBendtrans-87.8-12.1168.8-68.6-179.7000111.5Y24 F27 K28 Y72 R190Y24-L74 HydrophobicContact CD2-CD1 3.53Å; Y24-L74 HydrophobicContact CD2-CG 4.12Å; Y24-L74 HydrophobicContact CE1-CG 4.3Å; Y24-L74 HydrophobicContact CE2-CB 4.12Å; Y24-L74 HydrophobicContact CE2-CD1 3.67Å; Y24-L74 HydrophobicContact CE2-CG 3.79Å; Y24-L74 HydrophobicContact CG-CD1 3.99Å; Y24-L74 PolarHBondContact OH-N 3.34Å; Y24-L74 VanDerWaalsContact OH-N 3.16Å; F27-L74 HydrophobicContact CB-CD1 4.02Å; F27-L74 HydrophobicContact CB-CD2 4.1Å; F27-L74 HydrophobicContact CD2-CD1 4.25Å; K28-L74 HydrophobicContact CB-CD2 3.87Å; K28-L74 HydrophobicContact CD-CD2 4.12Å; Y72-L74 PolarHBondContact O-N 2.96Å; L74-R190 PolarHBondContact O-NH2 2.84Å
75E87.6Confident91.4Very high39 Ų3972 Ų7218%0.18237%0.366CS..SBendtrans-96.3-6-170.5-51.890.6157.200113.9Y24 R68 G73 D77 L78Y24-E75 PolarHBondContact OH-OE2 2.87Å; R68-E75 IonicContact CZ-OE1 3.99Å; R68-E75 IonicContact NE-OE1 3.2Å; R68-E75 PolarHBondContact NE-OE1 2.94Å; R68-E75 IonicContact NE-OE2 2.65Å; R68-E75 IonicContact NH2-OE1 2.67Å; R68-E75 PolarHBondContact NH2-OE1 3.01Å; G73-E75 VanDerWaalsContact C-N 3.35Å; E75-D77 VanDerWaalsContact C-N 3.29Å; E75-D77 PolarHBondContact O-N 3.15Å; E75-D77 VanDerWaalsContact O-N 3.17Å; E75-L78 HydrophobicContact CB-CD1 4.07Å; E75-L78 HydrophobicContact CG-CD1 4.38Å; E75-L78 WeakPolarHBondContact O-CB 3.31Å; E75-L78 PolarHBondContact O-N 3.35Å; E75-L78 VanDerWaalsContact O-N 3.12Å
76Y87Confident91.4Very high113 Ų11368 Ų6844%0.44334%0.341SS..THydrogen-bonded Turntrans-64.4-23.9-168.2-69.1-46000116.9R68 G73R68-Y76 VanDerWaalsContact C-OH 3.31Å; R68-Y76 PolarHBondContact O-OH 2.9Å; G73-Y76 WeakPolarHBondContact O-CD2 3.38Å
77D85.2Confident91.4Very high119 Ų11971 Ų7164%0.63636%0.364SS*.THydrogen-bonded Turntrans-108.115.8-179.7-34.8-70.5000111.4E75 R190E75-D77 VanDerWaalsContact C-N 3.29Å; E75-D77 PolarHBondContact O-N 3.15Å; E75-D77 VanDerWaalsContact O-N 3.17Å; D77-R190 VanDerWaalsContact N-NH2 3.16Å; D77-R190 IonicContact OD2-CZ 3.04Å; D77-R190 IonicContact OD2-NH1 2.67Å; D77-R190 PolarHBondContact OD2-NH1 3.38Å; D77-R190 IonicContact OD2-NH2 2.79Å; D77-R190 PolarHBondContact OD2-NH2 3.42Å
78L89Confident91.5Very high27 Ų2773.6 Ų73.614%0.14139%0.385CS..  trans-82.5139.4173.6-62.3-177.9000109.8E75 E82 V187 T192E75-L78 HydrophobicContact CB-CD1 4.07Å; E75-L78 HydrophobicContact CG-CD1 4.38Å; E75-L78 WeakPolarHBondContact O-CB 3.31Å; E75-L78 PolarHBondContact O-N 3.35Å; E75-L78 VanDerWaalsContact O-N 3.12Å; L78-E82 HydrophobicContact CB-CB 3.98Å; L78-E82 HydrophobicContact CD2-CB 4.23Å; L78-V187 HydrophobicContact CD1-CG1 4.39Å; L78-V187 HydrophobicContact CD2-CG1 3.89Å; L78-T192 HydrophobicContact CD1-CG2 4.39Å; L78-T192 HydrophobicContact CD2-CG2 4.17Å
79S91.7Very high91.7Very high58 Ų5870.3 Ų70.341%0.40637%0.374SS..  trans-63.2159.6166.863.50000111I81 E82 G83S79-I81 PolarHBondContact O-N 2.93Å; S79-I81 VanDerWaalsContact O-N 3.15Å; S79-E82 WeakPolarHBondContact CB-OE2 3.33Å; S79-E82 PolarHBondContact N-OE2 3.06Å; S79-E82 PolarHBondContact O-N 2.88Å; S79-E82 WeakPolarHBondContact OG-CB 3.47Å; S79-E82 VanDerWaalsContact OG-CD 3.28Å; S79-E82 VanDerWaalsContact OG-CG 3.24Å; S79-E82 WeakPolarHBondContact OG-CG 3.35Å; S79-E82 PolarHBondContact OG-N 3.07Å; S79-E82 PolarHBondContact OG-OE2 3.47Å; S79-G83 PolarHBondContact O-N 3Å
80D91.4Very high92Very high149 Ų14963.4 Ų63.480%0.79735%0.345SS*.Hα-helixtrans-54.7-37.1179-65.6-24.3000112.4G83 V84D80-G83 PolarHBondContact O-N 2.75Å; D80-V84 WeakPolarHBondContact O-CG2 3.39Å; D80-V84 PolarHBondContact O-N 3.49Å
81I93Very high92.2Very high136 Ų13663.6 Ų63.670%0.69735%0.353SS*.Hα-helixtrans-67.3-46.6178.3-60.7170.2000110.6S79 G83 V84 Q85S79-I81 PolarHBondContact O-N 2.93Å; S79-I81 VanDerWaalsContact O-N 3.15Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 2.98Å; I81-V84 PolarHBondContact O-N 3.46Å; I81-Q85 WeakPolarHBondContact O-CB 3.45Å; I81-Q85 PolarHBondContact O-N 3.29Å
82E93.1Very high92.6Very high58 Ų5860 Ų6027%0.27134%0.335SS..Hα-helixtrans-64.6-35.9176.5-73.5169.313700111.9L78 S79 Q85 S86 V187L78-E82 HydrophobicContact CB-CB 3.98Å; L78-E82 HydrophobicContact CD2-CB 4.23Å; S79-E82 WeakPolarHBondContact CB-OE2 3.33Å; S79-E82 PolarHBondContact N-OE2 3.06Å; S79-E82 PolarHBondContact O-N 2.88Å; S79-E82 WeakPolarHBondContact OG-CB 3.47Å; S79-E82 VanDerWaalsContact OG-CD 3.28Å; S79-E82 VanDerWaalsContact OG-CG 3.24Å; S79-E82 WeakPolarHBondContact OG-CG 3.35Å; S79-E82 PolarHBondContact OG-N 3.07Å; S79-E82 PolarHBondContact OG-OE2 3.47Å; E82-Q85 PolarHBondContact O-N 3.36Å; E82-S86 VanDerWaalsContact O-CB 3.25Å; E82-S86 WeakPolarHBondContact O-CB 3.27Å; E82-S86 PolarHBondContact O-N 2.81Å; E82-V187 HydrophobicContact CB-CG1 3.6Å; E82-V187 HydrophobicContact CG-CG1 3.81Å
83G92.6Very high92.9Very high24 Ų2456.9 Ų56.925%0.24732%0.323CS..Hα-helixtrans-61.5-47173.600000112.1S79 D80 I81 S86 C87S79-G83 PolarHBondContact O-N 3Å; D80-G83 PolarHBondContact O-N 2.75Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 2.98Å; G83-S86 PolarHBondContact O-N 3.42Å; G83-C87 PolarHBondContact O-N 3.22Å; G83-C87 PolarHBondContact O-SG 3.3Å; G83-C87 VanDerWaalsContact O-SG 3.37Å
84V93.6Very high93.1Very high107 Ų10761 Ų6165%0.64834%0.342SS*.Hα-helixtrans-63.2-43.9175.5172.80000111.2D80 I81 S86 C87 A88D80-V84 WeakPolarHBondContact O-CG2 3.39Å; D80-V84 PolarHBondContact O-N 3.49Å; I81-V84 PolarHBondContact O-N 3.46Å; V84-S86 PolarHBondContact O-N 3.19Å; V84-C87 PolarHBondContact O-N 3.43Å; V84-A88 WeakPolarHBondContact O-CB 3.39Å; V84-A88 PolarHBondContact O-N 3.16Å
85Q93.5Very high93.4Very high79 Ų7966 Ų6637%0.36936%0.361SS..Hα-helixtrans-60.6-45176.4-179.8177.5-14.400111.7I81 E82 A88 L89I81-Q85 WeakPolarHBondContact O-CB 3.45Å; I81-Q85 PolarHBondContact O-N 3.29Å; E82-Q85 PolarHBondContact O-N 3.36Å; Q85-A88 PolarHBondContact O-N 2.94Å; Q85-L89 HydrophobicContact CG-CD1 4.04Å; Q85-L89 WeakPolarHBondContact O-CB 3.38Å; Q85-L89 WeakPolarHBondContact O-CG 3.4Å; Q85-L89 PolarHBondContact O-N 3.11Å
86S93.5Very high93.8Very high3 Ų368.7 Ų68.72%0.02137%0.369CS..Hα-helixtrans-58.3-49176.9178.50000111.5E82 G83 V84 A88 L89 I90 V194E82-S86 VanDerWaalsContact O-CB 3.25Å; E82-S86 WeakPolarHBondContact O-CB 3.27Å; E82-S86 PolarHBondContact O-N 2.81Å; G83-S86 PolarHBondContact O-N 3.42Å; V84-S86 PolarHBondContact O-N 3.19Å; S86-A88 VanDerWaalsContact C-N 3.35Å; S86-A88 PolarHBondContact O-N 2.9Å; S86-L89 PolarHBondContact O-N 3.13Å; S86-I90 WeakPolarHBondContact O-CG1 3.27Å; S86-I90 PolarHBondContact O-N 3.02Å; S86-V194 WeakPolarHBondContact OG-CG2 3.42Å
87C94.6Very high94.3Very high81 Ų8163.3 Ų63.355%0.54735%0.348SS..Hα-helixtrans-59.8-42.1176.7-73.20000112.7G83 V84 S91G83-C87 PolarHBondContact O-N 3.22Å; G83-C87 PolarHBondContact O-SG 3.3Å; G83-C87 VanDerWaalsContact O-SG 3.37Å; V84-C87 PolarHBondContact O-N 3.43Å; C87-S91 WeakPolarHBondContact O-CB 3.3Å; C87-S91 PolarHBondContact O-N 3.44Å; C87-S91 PolarHBondContact O-OG 2.99Å
88A96.2Very high94.9Very high55 Ų5558 Ų5846%0.45532%0.32SS..Hα-helixtrans-65.6-41178.100000112.3V84 Q85 S86 T92V84-A88 WeakPolarHBondContact O-CB 3.39Å; V84-A88 PolarHBondContact O-N 3.16Å; Q85-A88 PolarHBondContact O-N 2.94Å; S86-A88 VanDerWaalsContact C-N 3.35Å; S86-A88 PolarHBondContact O-N 2.9Å; A88-T92 WeakPolarHBondContact O-CB 3.39Å; A88-T92 PolarHBondContact O-N 2.93Å; A88-T92 PolarHBondContact O-OG1 2.87Å
89L97.1Very high95.3Very high12 Ų1257 Ų576%0.06332%0.316CS..Hα-helixtrans-66.1-47.8177.2-75.3173.4000111.8Q85 S86 S91 T92 I93 L176 I179 V187 V194Q85-L89 HydrophobicContact CG-CD1 4.04Å; Q85-L89 WeakPolarHBondContact O-CB 3.38Å; Q85-L89 WeakPolarHBondContact O-CG 3.4Å; Q85-L89 PolarHBondContact O-N 3.11Å; S86-L89 PolarHBondContact O-N 3.13Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 3.27Å; L89-T92 WeakPolarHBondContact O-CB 3.3Å; L89-T92 PolarHBondContact O-N 3.27Å; L89-T92 VanDerWaalsContact O-N 3.13Å; L89-I93 WeakPolarHBondContact O-CG1 3.5Å; L89-I93 PolarHBondContact O-N 2.81Å; L89-L176 HydrophobicContact CD2-CD2 4.05Å; L89-I179 HydrophobicContact CD1-CG2 4.17Å; L89-I179 HydrophobicContact CD2-CD1 3.44Å; L89-I179 VanDerWaalsContact CD2-CD1 3.44Å; L89-V187 HydrophobicContact CD1-CG2 4.34Å; L89-V194 HydrophobicContact CB-CG1 3.88Å; L89-V194 HydrophobicContact CB-CG2 4.05Å; L89-V194 HydrophobicContact CD1-CG1 3.91Å; L89-V194 HydrophobicContact CD1-CG2 4.3Å; L89-V194 HydrophobicContact CG-CG1 4.49Å
90I96.9Very high95.5Very high17 Ų1754.2 Ų54.29%0.08730%0.297CS..Hα-helixtrans-58.1-47.7176.6-69.1167.2000110.2S86 T92 I93 E94 A193 V194 Y197S86-I90 WeakPolarHBondContact O-CG1 3.27Å; S86-I90 PolarHBondContact O-N 3.02Å; I90-T92 PolarHBondContact O-N 3.4Å; I90-I93 PolarHBondContact O-N 3.31Å; I90-I93 VanDerWaalsContact O-N 3.11Å; I90-E94 HydrophobicContact CG2-CG 4.25Å; I90-E94 WeakPolarHBondContact O-CG 3.46Å; I90-E94 PolarHBondContact O-N 3.02Å; I90-A193 HydrophobicContact CD1-CB 3.79Å; I90-V194 HydrophobicContact CD1-CG2 4.42Å; I90-V194 HydrophobicContact CG1-CG2 4.12Å; I90-Y197 HydrophobicContact CD1-CD2 4.38Å; I90-Y197 HydrophobicContact CD1-CE2 4.33Å; I90-Y197 HydrophobicContact CG1-CD2 4.04Å; I90-Y197 HydrophobicContact CG1-CE2 4.27Å; I90-Y197 HydrophobicContact CG1-CG 4.45Å; I90-Y197 HydrophobicContact CG2-CD1 4.31Å; I90-Y197 HydrophobicContact CG2-CD2 4.22Å; I90-Y197 HydrophobicContact CG2-CE1 3.92Å; I90-Y197 HydrophobicContact CG2-CE2 3.83Å; I90-Y197 HydrophobicContact CG2-CG 4.45Å
91S96.6Very high95.8Very high68 Ų6847.1 Ų47.148%0.47626%0.259SS..Hα-helixtrans-58.4-38.7177.7-59.30000112.1C87 L89 R95C87-S91 WeakPolarHBondContact O-CB 3.3Å; C87-S91 PolarHBondContact O-N 3.44Å; C87-S91 PolarHBondContact O-OG 2.99Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 3.27Å; S91-R95 WeakPolarHBondContact O-CB 3.35Å; S91-R95 PolarHBondContact O-N 3.26Å
92T96.8Very high95.9Very high44 Ų4441.5 Ų41.527%0.2723%0.23SC..Hα-helixtrans-67.7-41.7177.6-58.50000111.5A88 L89 I90 R95 R96A88-T92 WeakPolarHBondContact O-CB 3.39Å; A88-T92 PolarHBondContact O-N 2.93Å; A88-T92 PolarHBondContact O-OG1 2.87Å; L89-T92 WeakPolarHBondContact O-CB 3.3Å; L89-T92 PolarHBondContact O-N 3.27Å; L89-T92 VanDerWaalsContact O-N 3.13Å; I90-T92 PolarHBondContact O-N 3.4Å; T92-R95 PolarHBondContact O-N 3.28Å; T92-R96 VanDerWaalsContact O-CB 3.31Å; T92-R96 WeakPolarHBondContact O-CB 3.14Å; T92-R96 PolarHBondContact O-N 3.49Å
93I98Very high96.1Very high0 Ų039.1 Ų39.10%022%0.218CC..Iπ-helixtrans-64.2-52177-67.3160.6000110.3L89 I90 R95 R96 L97 A98 L176 V194 Y197 V198 F201L89-I93 WeakPolarHBondContact O-CG1 3.5Å; L89-I93 PolarHBondContact O-N 2.81Å; I90-I93 PolarHBondContact O-N 3.31Å; I90-I93 VanDerWaalsContact O-N 3.11Å; I93-R95 PolarHBondContact O-N 2.79Å; I93-R96 PolarHBondContact O-N 3.18Å; I93-L97 HydrophobicContact CG2-CB 4.19Å; I93-L97 HydrophobicContact CG2-CD2 4.21Å; I93-L97 PolarHBondContact O-N 3.07Å; I93-A98 PolarHBondContact O-N 2.96Å; I93-L176 HydrophobicContact CD1-CD2 4.27Å; I93-L176 HydrophobicContact CG1-CD1 4.19Å; I93-L176 HydrophobicContact CG1-CD2 4.36Å; I93-V194 HydrophobicContact CD1-CG1 4.39Å; I93-Y197 HydrophobicContact CG2-CD1 4.08Å; I93-V198 HydrophobicContact CD1-CG2 3.43Å; I93-V198 VanDerWaalsContact CD1-CG2 3.43Å; I93-V198 HydrophobicContact CG1-CG2 4.38Å; I93-F201 HydrophobicContact CG2-CD2 3.82Å; I93-F201 HydrophobicContact CG2-CE2 4.34Å
94E96.4Very high96.3Very high86 Ų8638 Ų3840%0.40221%0.207SC..Iπ-helixtrans-59.7-32.8179-72.3-175.3152.700112.2I90 P99 Y197I90-E94 HydrophobicContact CG2-CG 4.25Å; I90-E94 WeakPolarHBondContact O-CG 3.46Å; I90-E94 PolarHBondContact O-N 3.02Å; E94-P99 VanDerWaalsContact O-CD 3.28Å; E94-P99 WeakPolarHBondContact O-CD 3.41Å; E94-P99 WeakPolarHBondContact O-CG 3.28Å; E94-Y197 HydrophobicContact CG-CD1 4.18Å; E94-Y197 HydrophobicContact CG-CE1 3.51Å; E94-Y197 VanDerWaalsContact OE1-CE1 3.26Å; E94-Y197 WeakPolarHBondContact OE1-CE1 3.36Å; E94-Y197 PolarHBondContact OE1-OH 3.36Å
95R96.2Very high96.4Very high111 Ų11132.9 Ų32.942%0.41918%0.176SC..Iπ-helixtrans-87.9-27.1-177.9-169.656-175.7-1684.6114.7S91 T92 I93 S147 Q148S91-R95 WeakPolarHBondContact O-CB 3.35Å; S91-R95 PolarHBondContact O-N 3.26Å; T92-R95 PolarHBondContact O-N 3.28Å; I93-R95 PolarHBondContact O-N 2.79Å; R95-S147 PolarHBondContact NE-O 3.48Å; R95-S147 PolarHBondContact NH1-O 3.02Å; R95-S147 PolarHBondContact NH2-O 3.25Å; R95-Q148 VanDerWaalsContact NH2-OE1 3.07Å; R95-Q148 PolarHBondContact O-NE2 3.2Å
96R97.2Very high96.5Very high96 Ų9629.2 Ų29.236%0.36216%0.158SC..Iπ-helixtrans-120.1-50.5-171.7-59.6-175.1-178.1-178.80.2113.1T92 I93 A100 L168 C172T92-R96 VanDerWaalsContact O-CB 3.31Å; T92-R96 WeakPolarHBondContact O-CB 3.14Å; T92-R96 PolarHBondContact O-N 3.49Å; I93-R96 PolarHBondContact O-N 3.18Å; R96-A100 WeakPolarHBondContact O-CB 3.42Å; R96-L168 HydrophobicContact CB-CB 4.26Å; R96-L168 HydrophobicContact CG-CB 4.37Å; R96-C172 HydrophobicContact CB-CB 3.86Å
97L97.9Very high96.5Very high0 Ų029.4 Ų29.40%016%0.161CC..Iπ-helixtrans-79.7-48.7-175.9-17961.2000111.6I93 A100 V101 A169 I173 L176 F201I93-L97 HydrophobicContact CG2-CB 4.19Å; I93-L97 HydrophobicContact CG2-CD2 4.21Å; I93-L97 PolarHBondContact O-N 3.07Å; L97-A100 PolarHBondContact O-N 2.9Å; L97-V101 HydrophobicContact CD1-CG2 3.94Å; L97-V101 HydrophobicContact CG-CG2 4.24Å; L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 3.42Å; L97-A169 HydrophobicContact CD1-CB 4.25Å; L97-I173 HydrophobicContact CD1-CD1 4.24Å; L97-I173 HydrophobicContact CD1-CG1 4.21Å; L97-L176 HydrophobicContact CD2-CD1 4.34Å; L97-F201 HydrophobicContact CD2-CB 3.91Å; L97-F201 HydrophobicContact CG-CB 4.03Å
98A96.9Very high96.5Very high6 Ų627.3 Ų27.35%0.0514%0.144CC..Hα-helixtrans-58.3-45.8-177.400000113.3I93 A100 V101 N102 F201I93-A98 PolarHBondContact O-N 2.96Å; A98-A100 VanDerWaalsContact C-N 3.32Å; A98-A100 PolarHBondContact O-N 2.91Å; A98-V101 PolarHBondContact O-N 3.19Å; A98-N102 WeakPolarHBondContact O-CB 3.4Å; A98-N102 PolarHBondContact O-N 3.05Å; A98-N102 PolarHBondContact O-ND2 2.96Å; A98-F201 HydrophobicContact CB-CD1 3.8Å; A98-F201 HydrophobicContact CB-CD2 4.37Å; A98-F201 HydrophobicContact CB-CE1 3.31Å; A98-F201 HydrophobicContact CB-CE2 3.98Å; A98-F201 HydrophobicContact CB-CG 4.32Å; A98-F201 HydrophobicContact CB-CZ 3.42Å; A98-F201 VanDerWaalsContact CB-CZ 3.42Å
99P96.8Very high96.3Very high7 Ų729.3 Ų29.35%0.04515%0.147CC..Hα-helixtrans-67.7-33.8178.8-20.935.4000112.9E94 N102 W103 S147 L165E94-P99 VanDerWaalsContact O-CD 3.28Å; E94-P99 WeakPolarHBondContact O-CD 3.41Å; E94-P99 WeakPolarHBondContact O-CG 3.28Å; P99-N102 PolarHBondContact O-N 3.47Å; P99-W103 WeakPolarHBondContact O-CB 3.37Å; P99-W103 PolarHBondContact O-N 3.32Å; P99-S147 VanDerWaalsContact CB-OG 3.23Å; P99-S147 WeakPolarHBondContact CB-OG 3.43Å; P99-L165 HydrophobicContact CB-CD2 4.24Å
100A97.7Very high96.1Very high0 Ų033.9 Ų33.90%017%0.167CC..Hα-helixtrans-69.7-38.717600000112.3R96 L97 A98 W103 F104 L165 Y166 A169R96-A100 WeakPolarHBondContact O-CB 3.42Å; L97-A100 PolarHBondContact O-N 2.9Å; A98-A100 VanDerWaalsContact C-N 3.32Å; A98-A100 PolarHBondContact O-N 2.91Å; A100-W103 PolarHBondContact O-N 3.07Å; A100-F104 WeakPolarHBondContact O-CB 3.38Å; A100-F104 PolarHBondContact O-N 2.97Å; A100-L165 HydrophobicContact CB-CB 4.22Å; A100-L165 WeakPolarHBondContact CB-O 3.44Å; A100-Y166 HydrophobicContact CB-CD1 4.16Å; A100-Y166 WeakPolarHBondContact O-CE1 3.44Å; A100-A169 HydrophobicContact CB-CB 3.37Å
101V97.2Very high95.9Very high0 Ų033.1 Ų33.10%016%0.163CC..Hα-helixtrans-67.5-40.61741720000110.8L97 A98 W103 F104 L105 F201 P204 L205L97-V101 HydrophobicContact CD1-CG2 3.94Å; L97-V101 HydrophobicContact CG-CG2 4.24Å; L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 3.42Å; A98-V101 PolarHBondContact O-N 3.19Å; V101-W103 VanDerWaalsContact C-N 3.33Å; V101-W103 PolarHBondContact O-N 3.27Å; V101-F104 WeakPolarHBondContact O-CB 3.42Å; V101-F104 PolarHBondContact O-N 3.24Å; V101-L105 HydrophobicContact CG1-CD1 4.34Å; V101-L105 WeakPolarHBondContact O-CG 3.17Å; V101-L105 PolarHBondContact O-N 3.31Å; V101-F201 HydrophobicContact CB-CD1 4.16Å; V101-F201 HydrophobicContact CG1-CD1 4.19Å; V101-F201 HydrophobicContact CG2-CB 4.29Å; V101-F201 VanDerWaalsContact CG2-O 3.29Å; V101-F201 WeakPolarHBondContact CG2-O 3.31Å; V101-P204 HydrophobicContact CG1-CG 3.55Å; V101-L205 HydrophobicContact CG2-CD1 4.15Å; V101-L205 HydrophobicContact CG2-CD2 4.37Å; V101-L205 HydrophobicContact CG2-CG 4.29Å
102N95.4Very high95.8Very high18 Ų1830.7 Ų30.710%0.09614%0.144CC..Hα-helixtrans-61.9-41.6172.5-76.1-30.1000111.5A98 P99 L105 W106A98-N102 WeakPolarHBondContact O-CB 3.4Å; A98-N102 PolarHBondContact O-N 3.05Å; A98-N102 PolarHBondContact O-ND2 2.96Å; P99-N102 PolarHBondContact O-N 3.47Å; N102-L105 PolarHBondContact O-N 2.96Å; N102-W106 WeakPolarHBondContact O-CB 3.36Å; N102-W106 VanDerWaalsContact O-CD1 3.28Å; N102-W106 PolarHBondContact O-N 3.15Å
103W97.1Very high95.6Very high8 Ų830 Ų303%0.0314%0.139CC..Iπ-helixtrans-64.9-41.4173.7-171.9-86.8000112.4P99 A100 V101 L105 W106 G107 D108 V141 A144 K145 D158 I161 L165 Y166P99-W103 WeakPolarHBondContact O-CB 3.37Å; P99-W103 PolarHBondContact O-N 3.32Å; A100-W103 PolarHBondContact O-N 3.07Å; V101-W103 VanDerWaalsContact C-N 3.33Å; V101-W103 PolarHBondContact O-N 3.27Å; W103-L105 PolarHBondContact O-N 2.92Å; W103-W106 PolarHBondContact O-N 3.36Å; W103-G107 CarbonylContact O-C 2.95Å; W103-G107 WeakPolarHBondContact O-CA 3.44Å; W103-G107 PolarHBondContact O-N 3.28Å; W103-D108 PolarHBondContact O-N 3.41Å; W103-V141 HydrophobicContact CH2-CG1 4.37Å; W103-V141 HydrophobicContact CZ3-CG1 3.95Å; W103-A144 HydrophobicContact CB-CB 4.45Å; W103-A144 HydrophobicContact CE3-CB 3.92Å; W103-K145 HydrophobicContact CZ3-CD 4.49Å; W103-K145 HydrophobicContact CZ3-CG 3.86Å; W103-D158 HydrophobicContact CH2-CB 4.14Å; W103-D158 HydrophobicContact CZ2-CB 4Å; W103-D158 WeakPolarHBondContact CZ2-O 3.47Å; W103-I161 HydrophobicContact CD2-CG2 4.13Å; W103-I161 HydrophobicContact CE3-CG2 3.74Å; W103-I161 HydrophobicContact CH2-CB 3.83Å; W103-I161 HydrophobicContact CH2-CD1 4.27Å; W103-I161 HydrophobicContact CH2-CG2 3.52Å; W103-I161 HydrophobicContact CZ2-CB 4.03Å; W103-I161 HydrophobicContact CZ2-CG2 3.93Å; W103-I161 HydrophobicContact CZ3-CB 4.25Å; W103-I161 HydrophobicContact CZ3-CG2 3.42Å; W103-I161 VanDerWaalsContact CZ3-CG2 3.42Å; W103-L165 HydrophobicContact CB-CD1 3.64Å; W103-L165 HydrophobicContact CD2-CD1 3.9Å; W103-L165 HydrophobicContact CE3-CD1 3.86Å; W103-L165 HydrophobicContact CG-CD1 3.8Å; W103-Y166 AromaticContact CD1-CZ 3.69Å
104F97.3Very high95.1Very high0 Ų033 Ų330%015%0.152CC..Iπ-helixtrans-57.4-46.1173.8173.6-98.9000112.4A100 V101 V111 Y166 L205 Y208 H236 I239A100-F104 WeakPolarHBondContact O-CB 3.38Å; A100-F104 PolarHBondContact O-N 2.97Å; V101-F104 WeakPolarHBondContact O-CB 3.42Å; V101-F104 PolarHBondContact O-N 3.24Å; F104-V111 HydrophobicContact CD1-CG1 4.13Å; F104-V111 HydrophobicContact CD2-CG1 4.38Å; F104-V111 HydrophobicContact CD2-CG2 3.98Å; F104-V111 HydrophobicContact CE1-CG1 3.79Å; F104-V111 HydrophobicContact CE2-CB 4.43Å; F104-V111 HydrophobicContact CE2-CG1 4.05Å; F104-V111 HydrophobicContact CE2-CG2 3.56Å; F104-V111 HydrophobicContact CG-CG1 4.42Å; F104-V111 HydrophobicContact CZ-CG1 3.74Å; F104-V111 HydrophobicContact CZ-CG2 4.01Å; F104-V111 WeakPolarHBondContact O-CB 3.48Å; F104-V111 WeakPolarHBondContact O-CG1 3.33Å; F104-Y166 VanDerWaalsContact CA-OH 3.25Å; F104-Y166 WeakPolarHBondContact CA-OH 3.36Å; F104-Y166 HydrophobicContact CB-CE1 3.99Å; F104-L205 HydrophobicContact CB-CD2 4.33Å; F104-L205 HydrophobicContact CD1-CD2 3.49Å; F104-L205 VanDerWaalsContact CD1-CD2 3.49Å; F104-L205 HydrophobicContact CD2-CD2 4.24Å; F104-L205 HydrophobicContact CE1-CD2 3.73Å; F104-L205 HydrophobicContact CE2-CD2 4.44Å; F104-L205 HydrophobicContact CG-CD2 3.76Å; F104-L205 HydrophobicContact CZ-CD2 4.19Å; F104-Y208 HydrophobicContact CE1-CG 4.24Å; F104-Y208 HydrophobicContact CE2-CD1 4.44Å; F104-Y208 AromaticContact CZ-CD1 3.75Å; F104-Y208 HydrophobicContact CZ-CD1 3.75Å; F104-Y208 HydrophobicContact CZ-CD2 4.03Å; F104-Y208 HydrophobicContact CZ-CE1 4.26Å; F104-Y208 AromaticContact CZ-CG 3.59Å; F104-Y208 HydrophobicContact CZ-CG 3.59Å; F104-H236 AromaticContact CD2-CE1 3.89Å; F104-H236 AromaticContact CD2-ND1 3.94Å; F104-H236 AromaticContact CD2-NE2 3.96Å; F104-H236 HydrophobicContact CE2-CB 4Å; F104-H236 AromaticContact CE2-CD2 3.92Å; F104-H236 AromaticContact CE2-CG 3.71Å; F104-H236 AromaticContact CE2-ND1 3.94Å; F104-I239 HydrophobicContact CE2-CD1 4.27Å; F104-I239 HydrophobicContact CZ-CD1 4Å
105L95.1Very high94.9Very high0 Ų029 Ų290%013%0.134CC..Iπ-helixtrans-72-41.5-179.7-70174.6000112.8V101 N102 W103 F115 T116 P204V101-L105 HydrophobicContact CG1-CD1 4.34Å; V101-L105 WeakPolarHBondContact O-CG 3.17Å; V101-L105 PolarHBondContact O-N 3.31Å; N102-L105 PolarHBondContact O-N 2.96Å; W103-L105 PolarHBondContact O-N 2.92Å; L105-F115 HydrophobicContact CD2-CD1 4.05Å; L105-F115 HydrophobicContact CD2-CE1 3.72Å; L105-T116 WeakPolarHBondContact CA-OG1 3.22Å; L105-T116 HydrophobicContact CB-CG2 4.17Å; L105-T116 WeakPolarHBondContact O-CB 3.25Å; L105-T116 VanDerWaalsContact O-CG2 3.31Å; L105-T116 WeakPolarHBondContact O-CG2 3.32Å; L105-T116 PolarHBondContact O-OG1 3.25Å; L105-P204 HydrophobicContact CD1-CB 4.07Å; L105-P204 HydrophobicContact CD1-CG 4.34Å; L105-P204 HydrophobicContact CD2-CB 3.98Å; L105-P204 HydrophobicContact CG-CB 4.36Å
106W95.1Very high94.6Very high1 Ų123.8 Ų23.80%0.00411%0.114CC..Iπ-helixtrans-114.7-29.5-165.8-59.998.4000114.6N102 W103 Y112 T116 Y120 F121 W136 R137 K140 V141N102-W106 WeakPolarHBondContact O-CB 3.36Å; N102-W106 VanDerWaalsContact O-CD1 3.28Å; N102-W106 PolarHBondContact O-N 3.15Å; W103-W106 PolarHBondContact O-N 3.36Å; W106-Y112 HydrophobicContact CE3-CD2 4.12Å; W106-Y112 AromaticContact CE3-CE2 3.86Å; W106-Y112 HydrophobicContact CE3-CE2 3.86Å; W106-Y112 AromaticContact CZ3-CE2 4Å; W106-Y112 HydrophobicContact CZ3-CE2 4Å; W106-T116 HydrophobicContact CD2-CG2 4.16Å; W106-T116 HydrophobicContact CE3-CG2 4.2Å; W106-T116 HydrophobicContact CH2-CG2 4.21Å; W106-T116 HydrophobicContact CZ2-CG2 4.14Å; W106-T116 HydrophobicContact CZ3-CG2 4.25Å; W106-Y120 AromaticContact CH2-CD1 3.96Å; W106-Y120 HydrophobicContact CH2-CD1 3.96Å; W106-Y120 HydrophobicContact CH2-CE1 4.28Å; W106-Y120 HydrophobicContact CH2-CG 4.2Å; W106-Y120 AromaticContact CZ2-CD1 3.9Å; W106-Y120 HydrophobicContact CZ2-CD1 3.9Å; W106-Y120 AromaticContact CZ2-CE1 3.73Å; W106-Y120 HydrophobicContact CZ2-CE1 3.73Å; W106-Y120 HydrophobicContact CZ2-CG 4.35Å; W106-F121 AromaticContact CH2-CE2 3.83Å; W106-F121 HydrophobicContact CH2-CE2 3.83Å; W106-F121 AromaticContact CH2-CZ 3.77Å; W106-F121 HydrophobicContact CH2-CZ 3.77Å; W106-F121 AromaticContact CZ3-CE2 3.79Å; W106-F121 HydrophobicContact CZ3-CE2 3.79Å; W106-F121 AromaticContact CZ3-CZ 4Å; W106-F121 HydrophobicContact CZ3-CZ 4Å; W106-W136 HydrophobicContact CH2-CB 4.02Å; W106-W136 AromaticContact CH2-CE3 3.82Å; W106-W136 HydrophobicContact CH2-CE3 3.82Å; W106-W136 HydrophobicContact CZ2-CE3 4.24Å; W106-W136 HydrophobicContact CZ3-CB 3.82Å; W106-R137 HydrophobicContact CE3-CB 4.05Å; W106-R137 HydrophobicContact CE3-CG 4.41Å; W106-R137 VanDerWaalsContact O-CG 3.31Å; W106-R137 WeakPolarHBondContact O-CG 3.4Å; W106-R137 PolarHBondContact O-NE 3.36Å; W106-K140 HydrophobicContact CB-CB 3.73Å; W106-K140 HydrophobicContact CD2-CB 3.83Å; W106-K140 HydrophobicContact CD2-CG 3.88Å; W106-K140 HydrophobicContact CG-CB 3.41Å; W106-K140 VanDerWaalsContact CG-CB 3.41Å; W106-K140 HydrophobicContact CG-CG 3.91Å; W106-K140 HydrophobicContact CZ2-CG 4.39Å; W106-V141 HydrophobicContact CB-CG2 4.19Å; W106-V141 WeakPolarHBondContact O-CG2 3.29Å
107G94.2Very high94.3Very high7 Ų721.9 Ų21.97%0.07211%0.107CC..Iπ-helixtrans-81.3-52.5-179.300000112.5W103 D109 R137W103-G107 CarbonylContact O-C 2.95Å; W103-G107 WeakPolarHBondContact O-CA 3.44Å; W103-G107 PolarHBondContact O-N 3.28Å; G107-D109 PolarHBondContact O-N 2.82Å; G107-R137 PolarHBondContact O-NH2 3.23Å
108D94.2Very high93.8Very high38 Ų3825.5 Ų25.520%0.20312%0.122CC..  trans-63.8115.3179.6-175.4-45.5000111W103 F110 V111 Y112 H236W103-D108 PolarHBondContact O-N 3.41Å; D108-F110 VanDerWaalsContact C-N 3.31Å; D108-F110 PolarHBondContact O-N 3.09Å; D108-F110 WeakPolarHBondContact OD1-CA 3.21Å; D108-F110 WeakPolarHBondContact OD1-CB 3.46Å; D108-F110 PolarHBondContact OD1-N 3.48Å; D108-V111 HydrophobicContact CB-CB 4.04Å; D108-V111 HydrophobicContact CB-CG2 4.01Å; D108-V111 PolarHBondContact O-N 3.39Å; D108-V111 PolarHBondContact OD1-N 2.81Å; D108-Y112 WeakPolarHBondContact O-CB 3.24Å; D108-Y112 PolarHBondContact O-N 3.23Å; D108-H236 IonicContact OD2-CD2 3.44Å; D108-H236 IonicContact OD2-NE2 3.63Å
109D93Very high93.2Very high96 Ų9626.1 Ų26.151%0.51313%0.125SC..Hα-helixtrans-60.8-37.2-177.3-79.3-52.7000113.3G107 T113 R137G107-D109 PolarHBondContact O-N 2.82Å; D109-T113 VanDerWaalsContact O-CB 3.27Å; D109-T113 WeakPolarHBondContact O-CB 3.34Å; D109-T113 PolarHBondContact O-N 2.7Å; D109-T113 PolarHBondContact O-OG1 2.62Å; D109-R137 IonicContact OD1-CZ 3.61Å; D109-R137 IonicContact OD1-NH1 3.7Å; D109-R137 PolarHBondContact OD1-NH1 3.22Å; D109-R137 IonicContact OD1-NH2 3.95Å; D109-R137 PolarHBondContact OD1-NH2 2.56Å
110F91.9Very high92.7Very high108 Ų10826 Ų2647%0.47412%0.123SC..Hα-helixtrans-73.1-47.1-177.1-179.5-94.2000110.6D108 K114 Y208D108-F110 VanDerWaalsContact C-N 3.31Å; D108-F110 PolarHBondContact O-N 3.09Å; D108-F110 WeakPolarHBondContact OD1-CA 3.21Å; D108-F110 WeakPolarHBondContact OD1-CB 3.46Å; D108-F110 PolarHBondContact OD1-N 3.48Å; F110-K114 HydrophobicContact CD1-CD 4.27Å; F110-K114 HydrophobicContact CD2-CD 4.14Å; F110-K114 HydrophobicContact CE1-CD 3.86Å; F110-K114 HydrophobicContact CE2-CD 3.75Å; F110-K114 HydrophobicContact CG-CD 4.42Å; F110-K114 HydrophobicContact CZ-CD 3.61Å; F110-K114 WeakPolarHBondContact O-CB 3.12Å; F110-K114 WeakPolarHBondContact O-CG 3.45Å; F110-K114 PolarHBondContact O-N 2.6Å; F110-K114 VanDerWaalsContact O-N 3.07Å; F110-Y208 WeakPolarHBondContact CD1-OH 2.98Å; F110-Y208 WeakPolarHBondContact CE1-OH 3.29Å
111V93.4Very high92.1Very high1 Ų126.2 Ų26.21%0.00612%0.124CC..Hα-helixtrans-63.8-45.7175.6179.40000110F104 D108 T113 F115 T116 Y208F104-V111 HydrophobicContact CD1-CG1 4.13Å; F104-V111 HydrophobicContact CD2-CG1 4.38Å; F104-V111 HydrophobicContact CD2-CG2 3.98Å; F104-V111 HydrophobicContact CE1-CG1 3.79Å; F104-V111 HydrophobicContact CE2-CB 4.43Å; F104-V111 HydrophobicContact CE2-CG1 4.05Å; F104-V111 HydrophobicContact CE2-CG2 3.56Å; F104-V111 HydrophobicContact CG-CG1 4.42Å; F104-V111 HydrophobicContact CZ-CG1 3.74Å; F104-V111 HydrophobicContact CZ-CG2 4.01Å; F104-V111 WeakPolarHBondContact O-CB 3.48Å; F104-V111 WeakPolarHBondContact O-CG1 3.33Å; D108-V111 HydrophobicContact CB-CB 4.04Å; D108-V111 HydrophobicContact CB-CG2 4.01Å; D108-V111 PolarHBondContact O-N 3.39Å; D108-V111 PolarHBondContact OD1-N 2.81Å; V111-T113 PolarHBondContact O-N 3.36Å; V111-F115 HydrophobicContact CG1-CB 4.45Å; V111-F115 HydrophobicContact CG1-CD1 4.24Å; V111-F115 WeakPolarHBondContact O-CA 3.12Å; V111-F115 WeakPolarHBondContact O-CB 3.36Å; V111-F115 PolarHBondContact O-N 3.19Å; V111-T116 PolarHBondContact O-N 3.34Å; V111-T116 VanDerWaalsContact O-N 3.15Å; V111-Y208 HydrophobicContact CB-CE2 4.26Å; V111-Y208 HydrophobicContact CG1-CD2 4.02Å; V111-Y208 HydrophobicContact CG1-CE2 3.88Å; V111-Y208 HydrophobicContact CG2-CE2 4.07Å
112Y93.9Very high91.4Very high18 Ų1832.2 Ų32.27%0.07115%0.152CC..Iπ-helixtrans-58.5-50.1179.2174.5-99.3000111.9W106 D108 T116 R117 P133 R137W106-Y112 HydrophobicContact CE3-CD2 4.12Å; W106-Y112 AromaticContact CE3-CE2 3.86Å; W106-Y112 HydrophobicContact CE3-CE2 3.86Å; W106-Y112 AromaticContact CZ3-CE2 4Å; W106-Y112 HydrophobicContact CZ3-CE2 4Å; D108-Y112 WeakPolarHBondContact O-CB 3.24Å; D108-Y112 PolarHBondContact O-N 3.23Å; Y112-T116 HydrophobicContact CD2-CG2 4.29Å; Y112-T116 PolarHBondContact O-N 3.45Å; Y112-R117 HydrophobicContact CE1-CB 4.26Å; Y112-R117 HydrophobicContact CE2-CB 4.43Å; Y112-R117 VanDerWaalsContact O-CB 3.22Å; Y112-R117 WeakPolarHBondContact O-CB 3.49Å; Y112-R117 PolarHBondContact O-N 2.9Å; Y112-P133 WeakPolarHBondContact OH-CB 3.47Å; Y112-P133 PolarHBondContact OH-O 2.9Å; Y112-R137 HydrophobicContact CD2-CG 4.23Å; Y112-R137 HydrophobicContact CE2-CB 3.96Å; Y112-R137 HydrophobicContact CE2-CG 3.99Å
113T91.6Very high90.7Very high28 Ų2833.9 Ų33.917%0.17217%0.165CC..Iπ-helixtrans-69.4-40.5-174.8-56.80000112.1D109 V111D109-T113 VanDerWaalsContact O-CB 3.27Å; D109-T113 WeakPolarHBondContact O-CB 3.34Å; D109-T113 PolarHBondContact O-N 2.7Å; D109-T113 PolarHBondContact O-OG1 2.62Å; V111-T113 PolarHBondContact O-N 3.36Å
114K89.4Confident89.8Confident64 Ų6434 Ų3428%0.27817%0.166SC..Iπ-helixtrans-82.8-42.7-175.9-69.5-172.1173.9-172.70112.9F110 K118 Y212F110-K114 HydrophobicContact CD1-CD 4.27Å; F110-K114 HydrophobicContact CD2-CD 4.14Å; F110-K114 HydrophobicContact CE1-CD 3.86Å; F110-K114 HydrophobicContact CE2-CD 3.75Å; F110-K114 HydrophobicContact CG-CD 4.42Å; F110-K114 HydrophobicContact CZ-CD 3.61Å; F110-K114 WeakPolarHBondContact O-CB 3.12Å; F110-K114 WeakPolarHBondContact O-CG 3.45Å; F110-K114 PolarHBondContact O-N 2.6Å; F110-K114 VanDerWaalsContact O-N 3.07Å; K114-K118 WeakPolarHBondContact O-CD 3.48Å; K114-Y212 HydrophobicContact CB-CE1 4.31Å; K114-Y212 PolarHBondContact O-OH 3.48Å
115F91Very high89.1Confident3 Ų336.3 Ų36.31%0.01319%0.19CC..Iπ-helixtrans-109.1-67.9-171.5175.7-116.4000111.9L105 V111 R117 K118 M119 M207 Y208 Y212L105-F115 HydrophobicContact CD2-CD1 4.05Å; L105-F115 HydrophobicContact CD2-CE1 3.72Å; V111-F115 HydrophobicContact CG1-CB 4.45Å; V111-F115 HydrophobicContact CG1-CD1 4.24Å; V111-F115 WeakPolarHBondContact O-CA 3.12Å; V111-F115 WeakPolarHBondContact O-CB 3.36Å; V111-F115 PolarHBondContact O-N 3.19Å; F115-R117 PolarHBondContact O-N 3.17Å; F115-K118 PolarHBondContact O-N 3.45Å; F115-K118 VanDerWaalsContact O-N 3.16Å; F115-M119 HydrophobicContact CD2-CG 3.51Å; F115-M119 HydrophobicContact CD2-SD 4.27Å; F115-M119 HydrophobicContact CE2-CG 3.46Å; F115-M119 VanDerWaalsContact CE2-CG 3.46Å; F115-M119 HydrophobicContact CE2-SD 4.02Å; F115-M119 HydrophobicContact CG-CG 4.16Å; F115-M119 HydrophobicContact CZ-CG 4.04Å; F115-M119 WeakPolarHBondContact O-CB 3.35Å; F115-M119 VanDerWaalsContact O-CG 3.3Å; F115-M119 WeakPolarHBondContact O-CG 3.31Å; F115-M119 PolarHBondContact O-N 3.03Å; F115-M207 HydrophobicContact CE2-CG 3.96Å; F115-M207 HydrophobicContact CE2-SD 4.2Å; F115-M207 HydrophobicContact CZ-CB 4.19Å; F115-M207 HydrophobicContact CZ-CG 3.87Å; F115-M207 HydrophobicContact CZ-SD 3.95Å; F115-Y208 HydrophobicContact CB-CD2 3.57Å; F115-Y208 HydrophobicContact CB-CE2 3.76Å; F115-Y208 AromaticContact CD1-CD2 3.76Å; F115-Y208 HydrophobicContact CD1-CD2 3.76Å; F115-Y208 HydrophobicContact CD2-CD2 4.24Å; F115-Y208 HydrophobicContact CE1-CD2 4.44Å; F115-Y208 AromaticContact CG-CD2 3.62Å; F115-Y208 HydrophobicContact CG-CD2 3.62Å; F115-Y208 HydrophobicContact CG-CE2 4.33Å; F115-Y212 HydrophobicContact CB-CD2 4.4Å; F115-Y212 HydrophobicContact CB-CE2 3.8Å; F115-Y212 HydrophobicContact CD2-CD2 4.44Å; F115-Y212 AromaticContact CD2-CE2 3.77Å; F115-Y212 HydrophobicContact CD2-CE2 3.77Å; F115-Y212 HydrophobicContact CG-CE2 4.19Å
116T91.3Very high88.5Confident0 Ų043.3 Ų43.30%022%0.221CC..Iπ-helixtrans-60.3-45.7-167.4-46.90000112.9L105 W106 V111 Y112 K118 M119 Y120L105-T116 WeakPolarHBondContact CA-OG1 3.22Å; L105-T116 HydrophobicContact CB-CG2 4.17Å; L105-T116 WeakPolarHBondContact O-CB 3.25Å; L105-T116 VanDerWaalsContact O-CG2 3.31Å; L105-T116 WeakPolarHBondContact O-CG2 3.32Å; L105-T116 PolarHBondContact O-OG1 3.25Å; W106-T116 HydrophobicContact CD2-CG2 4.16Å; W106-T116 HydrophobicContact CE3-CG2 4.2Å; W106-T116 HydrophobicContact CH2-CG2 4.21Å; W106-T116 HydrophobicContact CZ2-CG2 4.14Å; W106-T116 HydrophobicContact CZ3-CG2 4.25Å; V111-T116 PolarHBondContact O-N 3.34Å; V111-T116 VanDerWaalsContact O-N 3.15Å; Y112-T116 HydrophobicContact CD2-CG2 4.29Å; Y112-T116 PolarHBondContact O-N 3.45Å; T116-K118 VanDerWaalsContact C-N 3.33Å; T116-K118 PolarHBondContact O-N 3.32Å; T116-M119 PolarHBondContact O-N 3.15Å; T116-Y120 HydrophobicContact CG2-CD2 3.76Å; T116-Y120 HydrophobicContact CG2-CE2 3.88Å; T116-Y120 WeakPolarHBondContact O-CB 3.28Å; T116-Y120 VanDerWaalsContact O-CD2 3.27Å; T116-Y120 WeakPolarHBondContact O-CD2 3.26Å; T116-Y120 PolarHBondContact O-N 2.86Å
117R90.3Very high87.9Confident56 Ų5649.4 Ų49.421%0.21125%0.252CS..Hα-helixtrans-60.3-43.3-180-176.5-177.7178.7-169.62111.4Y112 F115 F121 D286Y112-R117 HydrophobicContact CE1-CB 4.26Å; Y112-R117 HydrophobicContact CE2-CB 4.43Å; Y112-R117 VanDerWaalsContact O-CB 3.22Å; Y112-R117 WeakPolarHBondContact O-CB 3.49Å; Y112-R117 PolarHBondContact O-N 2.9Å; F115-R117 PolarHBondContact O-N 3.17Å; R117-F121 WeakPolarHBondContact O-CB 3.43Å; R117-F121 PolarHBondContact O-N 2.9Å; R117-D286 IonicContact CZ-OD2 3.39Å; R117-D286 IonicContact NH1-OD2 2.86Å; R117-D286 PolarHBondContact NH1-OD2 3.39Å; R117-D286 IonicContact NH2-OD2 2.94Å; R117-D286 PolarHBondContact NH2-OD2 3.22Å
118K87.1Confident87.3Confident76 Ų7653.4 Ų53.433%0.3327%0.267SS..Hα-helixtrans-67.4-52.4178.6-63.2-168.5-177.2-177.80110.6K114 F115 T116 Y120 F121 E122K114-K118 WeakPolarHBondContact O-CD 3.48Å; F115-K118 PolarHBondContact O-N 3.45Å; F115-K118 VanDerWaalsContact O-N 3.16Å; T116-K118 VanDerWaalsContact C-N 3.33Å; T116-K118 PolarHBondContact O-N 3.32Å; K118-Y120 VanDerWaalsContact C-N 3.32Å; K118-Y120 PolarHBondContact O-N 3.04Å; K118-F121 PolarHBondContact O-N 3.15Å; K118-E122 WeakPolarHBondContact O-CB 3.47Å; K118-E122 PolarHBondContact O-N 2.66Å
119M85.3Confident86.8Confident20 Ų2054.3 Ų54.310%0.09927%0.27CS..Hα-helixtrans-54.7-46.4-179.5-71.1-51.1-56.900112.5A8 P9 L12 C14 F115 T116 M207A8-M119 VanDerWaalsContact CA-O 3.3Å; A8-M119 WeakPolarHBondContact CA-O 3.49Å; A8-M119 HydrophobicContact CB-CE 3.65Å; A8-M119 WeakPolarHBondContact CB-O 3.37Å; P9-M119 VanDerWaalsContact CD-O 3.28Å; P9-M119 WeakPolarHBondContact CD-O 3.47Å; L12-M119 HydrophobicContact CB-CE 4.35Å; L12-M119 HydrophobicContact CD2-CE 3.4Å; L12-M119 VanDerWaalsContact CD2-CE 3.4Å; L12-M119 HydrophobicContact CG-CE 3.96Å; C14-M119 WeakPolarHBondContact SG-CE 3.24Å; F115-M119 HydrophobicContact CD2-CG 3.51Å; F115-M119 HydrophobicContact CD2-SD 4.27Å; F115-M119 HydrophobicContact CE2-CG 3.46Å; F115-M119 VanDerWaalsContact CE2-CG 3.46Å; F115-M119 HydrophobicContact CE2-SD 4.02Å; F115-M119 HydrophobicContact CG-CG 4.16Å; F115-M119 HydrophobicContact CZ-CG 4.04Å; F115-M119 WeakPolarHBondContact O-CB 3.35Å; F115-M119 VanDerWaalsContact O-CG 3.3Å; F115-M119 WeakPolarHBondContact O-CG 3.31Å; F115-M119 PolarHBondContact O-N 3.03Å; T116-M119 PolarHBondContact O-N 3.15Å; M119-M207 HydrophobicContact CE-SD 4.21Å
120Y84.3Confident86.3Confident5 Ų552.5 Ų52.52%0.0226%0.261CS..Hα-helixtrans-85.4-32.6-174.1-77.4-111.1000113.6L6 C14 D15 P39 W106 T116 K118 W136L6-Y120 HydrophobicContact CD2-CD1 3.52Å; L6-Y120 HydrophobicContact CD2-CE1 3.44Å; L6-Y120 VanDerWaalsContact CD2-CE1 3.44Å; C14-Y120 HydrophobicContact CB-CD2 4.23Å; C14-Y120 HydrophobicContact CB-CE2 3.62Å; C14-Y120 PolarHBondContact O-OH 3.24Å; D15-Y120 WeakPolarHBondContact CA-OH 3.14Å; D15-Y120 HydrophobicContact CB-CE1 4.2Å; D15-Y120 PolarHBondContact N-OH 3.49Å; P39-Y120 WeakPolarHBondContact CG-O 3.29Å; W106-Y120 AromaticContact CH2-CD1 3.96Å; W106-Y120 HydrophobicContact CH2-CD1 3.96Å; W106-Y120 HydrophobicContact CH2-CE1 4.28Å; W106-Y120 HydrophobicContact CH2-CG 4.2Å; W106-Y120 AromaticContact CZ2-CD1 3.9Å; W106-Y120 HydrophobicContact CZ2-CD1 3.9Å; W106-Y120 AromaticContact CZ2-CE1 3.73Å; W106-Y120 HydrophobicContact CZ2-CE1 3.73Å; W106-Y120 HydrophobicContact CZ2-CG 4.35Å; T116-Y120 HydrophobicContact CG2-CD2 3.76Å; T116-Y120 HydrophobicContact CG2-CE2 3.88Å; T116-Y120 WeakPolarHBondContact O-CB 3.28Å; T116-Y120 VanDerWaalsContact O-CD2 3.27Å; T116-Y120 WeakPolarHBondContact O-CD2 3.26Å; T116-Y120 PolarHBondContact O-N 2.86Å; K118-Y120 VanDerWaalsContact C-N 3.32Å; K118-Y120 PolarHBondContact O-N 3.04Å; Y120-W136 HydrophobicContact CD1-CZ3 4.35Å
121F85.5Confident86Confident3 Ų350.9 Ų50.91%0.01325%0.252CS..Hα-helixtrans-1274.2-163.4-53.1-67.1000115.2P39 W106 R117 K118 S123 I124 Q129 I132 P133 W136P39-F121 HydrophobicContact CB-CE1 4.26Å; P39-F121 HydrophobicContact CG-CD1 4.09Å; P39-F121 HydrophobicContact CG-CE1 4.18Å; W106-F121 AromaticContact CH2-CE2 3.83Å; W106-F121 HydrophobicContact CH2-CE2 3.83Å; W106-F121 AromaticContact CH2-CZ 3.77Å; W106-F121 HydrophobicContact CH2-CZ 3.77Å; W106-F121 AromaticContact CZ3-CE2 3.79Å; W106-F121 HydrophobicContact CZ3-CE2 3.79Å; W106-F121 AromaticContact CZ3-CZ 4Å; W106-F121 HydrophobicContact CZ3-CZ 4Å; R117-F121 WeakPolarHBondContact O-CB 3.43Å; R117-F121 PolarHBondContact O-N 2.9Å; K118-F121 PolarHBondContact O-N 3.15Å; F121-S123 VanDerWaalsContact C-N 3.27Å; F121-S123 PolarHBondContact O-N 3.45Å; F121-I124 HydrophobicContact CB-CD1 3.88Å; F121-I124 HydrophobicContact CB-CG1 3.93Å; F121-I124 HydrophobicContact CD1-CD1 3.79Å; F121-I124 HydrophobicContact CD1-CG1 4.44Å; F121-I124 HydrophobicContact CG-CD1 4.24Å; F121-I124 WeakPolarHBondContact O-CG1 3.3Å; F121-I124 PolarHBondContact O-N 2.72Å; F121-Q129 WeakPolarHBondContact O-CG 3.29Å; F121-Q129 PolarHBondContact O-NE2 2.75Å; F121-I132 HydrophobicContact CD1-CG2 4.06Å; F121-I132 HydrophobicContact CE1-CG2 3.64Å; F121-I132 HydrophobicContact CZ-CG2 4.48Å; F121-P133 HydrophobicContact CB-CG 3.97Å; F121-P133 HydrophobicContact CD1-CG 4.18Å; F121-P133 HydrophobicContact CD2-CB 3.6Å; F121-P133 HydrophobicContact CD2-CG 3.61Å; F121-P133 HydrophobicContact CE2-CB 3.68Å; F121-P133 HydrophobicContact CE2-CG 4.1Å; F121-P133 HydrophobicContact CG-CB 4.16Å; F121-P133 HydrophobicContact CG-CG 3.65Å; F121-P133 HydrophobicContact CZ-CB 4.3Å; F121-W136 AromaticContact CE1-CD2 3.94Å; F121-W136 HydrophobicContact CE1-CD2 3.94Å; F121-W136 HydrophobicContact CE1-CE3 4.27Å; F121-W136 HydrophobicContact CE1-CG 4.17Å; F121-W136 HydrophobicContact CZ-CB 3.9Å; F121-W136 AromaticContact CZ-CD2 3.77Å; F121-W136 HydrophobicContact CZ-CD2 3.77Å; F121-W136 AromaticContact CZ-CE3 3.95Å; F121-W136 HydrophobicContact CZ-CE3 3.95Å; F121-W136 AromaticContact CZ-CG 3.78Å; F121-W136 HydrophobicContact CZ-CG 3.78Å
122E83.6Confident85.6Confident127 Ų12750.9 Ų50.959%0.59325%0.252SS*.THydrogen-bonded Turntrans-66-30.6177.4-177.8164.7-158.200112.7P9 K118 Q129P9-E122 HydrophobicContact CG-CB 4.11Å; K118-E122 WeakPolarHBondContact O-CB 3.47Å; K118-E122 PolarHBondContact O-N 2.66Å; E122-Q129 PolarHBondContact O-NE2 2.97Å
123S79.7Confident85.4Confident53 Ų5350.2 Ų50.237%0.37125%0.25SC..THydrogen-bonded Turntrans-82.6-12179.746.70000115.2V38 F121V38-S123 VanDerWaalsContact CG1-OG 3.3Å; V38-S123 WeakPolarHBondContact CG1-OG 3.48Å; F121-S123 VanDerWaalsContact C-N 3.27Å; F121-S123 PolarHBondContact O-N 3.45Å
124I79.4Confident85.3Confident10 Ų1054.2 Ų54.25%0.05127%0.266CS..SBendtrans-82.1150.2179.757.2161.8000110.8V38 P39 F121 K128 Q129 I132V38-I124 HydrophobicContact CG1-CG2 3.43Å; V38-I124 VanDerWaalsContact CG1-CG2 3.43Å; P39-I124 HydrophobicContact CG-CG2 4.4Å; P39-I124 WeakPolarHBondContact O-CG2 3.36Å; F121-I124 HydrophobicContact CB-CD1 3.88Å; F121-I124 HydrophobicContact CB-CG1 3.93Å; F121-I124 HydrophobicContact CD1-CD1 3.79Å; F121-I124 HydrophobicContact CD1-CG1 4.44Å; F121-I124 HydrophobicContact CG-CD1 4.24Å; F121-I124 WeakPolarHBondContact O-CG1 3.3Å; F121-I124 PolarHBondContact O-N 2.72Å; I124-K128 HydrophobicContact CB-CB 4.37Å; I124-K128 HydrophobicContact CD1-CB 3.97Å; I124-Q129 HydrophobicContact CD1-CB 4.46Å; I124-Q129 HydrophobicContact CD1-CG 4Å; I124-Q129 HydrophobicContact CG1-CG 3.57Å; I124-Q129 WeakPolarHBondContact O-CG 3.33Å; I124-Q129 PolarHBondContact O-NE2 3.18Å; I124-I132 HydrophobicContact CD1-CB 4.11Å; I124-I132 HydrophobicContact CD1-CD1 4.19Å; I124-I132 HydrophobicContact CD1-CG2 4.37Å
125G81.9Confident85.2Confident48 Ų4855.1 Ų55.150%0.49527%0.273SS..  trans-61.2151.4-179.500000113.4I127 K128 Q129G125-I127 VanDerWaalsContact C-N 3.34Å; G125-I127 PolarHBondContact O-N 3.37Å; G125-I127 VanDerWaalsContact O-N 3.16Å; G125-K128 WeakPolarHBondContact O-CA 3.5Å; G125-K128 WeakPolarHBondContact O-CB 3.13Å; G125-K128 PolarHBondContact O-N 2.98Å; G125-Q129 PolarHBondContact O-N 2.87Å
126F81.6Confident85.1Confident148 Ų14855.3 Ų55.365%0.64927%0.274SS*.Hα-helixtrans-47.8-48.3-172.3179.4-105.5000114.1K128 Q129 L130F126-K128 VanDerWaalsContact C-N 3.28Å; F126-K128 PolarHBondContact O-N 3.27Å; F126-Q129 WeakPolarHBondContact O-CB 3.3Å; F126-Q129 PolarHBondContact O-N 3.49Å; F126-Q129 VanDerWaalsContact O-N 3.15Å; F126-L130 HydrophobicContact CE1-CD1 4.27Å; F126-L130 HydrophobicContact CE2-CD2 4.49Å; F126-L130 HydrophobicContact CZ-CD2 4.3Å; F126-L130 WeakPolarHBondContact O-CG 3.31Å
127I83.7Confident85.1Confident129 Ų12957.6 Ų57.666%0.66228%0.283SS*.Hα-helixtrans-60.7-38.5-180-59.2175.9000111.6G125 L130 Y131G125-I127 VanDerWaalsContact C-N 3.34Å; G125-I127 PolarHBondContact O-N 3.37Å; G125-I127 VanDerWaalsContact O-N 3.16Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.38Å; I127-Y131 HydrophobicContact CG2-CE1 4.38Å; I127-Y131 WeakPolarHBondContact O-CD1 3.24Å; I127-Y131 VanDerWaalsContact O-CE1 3.26Å; I127-Y131 WeakPolarHBondContact O-CE1 3.43Å
128K82Confident85.2Confident90 Ų9058.8 Ų58.839%0.39129%0.293SS..Hα-helixtrans-71.8-35.2178.7-70.5-175.6178.3-178.20111.6I124 G125 F126 L130 Y131 I132I124-K128 HydrophobicContact CB-CB 4.37Å; I124-K128 HydrophobicContact CD1-CB 3.97Å; G125-K128 WeakPolarHBondContact O-CA 3.5Å; G125-K128 WeakPolarHBondContact O-CB 3.13Å; G125-K128 PolarHBondContact O-N 2.98Å; F126-K128 VanDerWaalsContact C-N 3.28Å; F126-K128 PolarHBondContact O-N 3.27Å; K128-L130 PolarHBondContact O-N 3.21Å; K128-L130 VanDerWaalsContact O-N 3.09Å; K128-Y131 PolarHBondContact O-N 3.35Å; K128-I132 HydrophobicContact CB-CD1 3.66Å; K128-I132 HydrophobicContact CB-CG1 4.21Å; K128-I132 HydrophobicContact CD-CD1 4.09Å; K128-I132 HydrophobicContact CG-CD1 4.02Å; K128-I132 VanDerWaalsContact O-CB 3.29Å; K128-I132 WeakPolarHBondContact O-CB 3.38Å; K128-I132 VanDerWaalsContact O-CG1 3.31Å; K128-I132 WeakPolarHBondContact O-CG1 3.31Å; K128-I132 PolarHBondContact O-N 3.24Å
129Q83.9Confident85.3Confident57 Ų5757.4 Ų57.427%0.26629%0.287SS..Hα-helixtrans-59-20.9175.9-68.8-175.79.700113.4F121 E122 I124 G125 F126 P133F121-Q129 WeakPolarHBondContact O-CG 3.29Å; F121-Q129 PolarHBondContact O-NE2 2.75Å; E122-Q129 PolarHBondContact O-NE2 2.97Å; I124-Q129 HydrophobicContact CD1-CB 4.46Å; I124-Q129 HydrophobicContact CD1-CG 4Å; I124-Q129 HydrophobicContact CG1-CG 3.57Å; I124-Q129 WeakPolarHBondContact O-CG 3.33Å; I124-Q129 PolarHBondContact O-NE2 3.18Å; G125-Q129 PolarHBondContact O-N 2.87Å; F126-Q129 WeakPolarHBondContact O-CB 3.3Å; F126-Q129 PolarHBondContact O-N 3.49Å; F126-Q129 VanDerWaalsContact O-N 3.15Å; Q129-P133 VanDerWaalsContact O-CD 3.24Å; Q129-P133 WeakPolarHBondContact O-CD 3.24Å; Q129-P133 VanDerWaalsContact O-CG 3.3Å; Q129-P133 WeakPolarHBondContact O-CG 3.38Å
130L82.3Confident85.6Confident59 Ų5958.1 Ų58.131%0.30929%0.29SS..Hα-helixtrans-74.9-38.7-175.1-65.2177.9000113.5F126 I127 K128 W290F126-L130 HydrophobicContact CE1-CD1 4.27Å; F126-L130 HydrophobicContact CE2-CD2 4.49Å; F126-L130 HydrophobicContact CZ-CD2 4.3Å; F126-L130 WeakPolarHBondContact O-CG 3.31Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.38Å; K128-L130 PolarHBondContact O-N 3.21Å; K128-L130 VanDerWaalsContact O-N 3.09Å; L130-W290 HydrophobicContact CB-CH2 4.41Å; L130-W290 HydrophobicContact CB-CZ2 3.83Å; L130-W290 HydrophobicContact CD1-CH2 3.72Å; L130-W290 HydrophobicContact CD1-CZ2 3.6Å; L130-W290 HydrophobicContact CD2-CZ2 3.69Å; L130-W290 HydrophobicContact CG-CH2 4.42Å; L130-W290 HydrophobicContact CG-CZ2 3.84Å
131Y84.2Confident86Confident73 Ų7358.8 Ų58.829%0.28629%0.294SS..Hα-helixtrans-123.8-27.5-17364.5-99.4000113.5Q41 I127 K128 H134 I135Q41-Y131 HydrophobicContact CG-CD2 4.49Å; Q41-Y131 HydrophobicContact CG-CE2 3.43Å; Q41-Y131 VanDerWaalsContact CG-CE2 3.43Å; Q41-Y131 VanDerWaalsContact NE2-CZ 3.27Å; Q41-Y131 PolarHBondContact NE2-OH 2.78Å; Q41-Y131 PolarHBondContact OE1-OH 2.99Å; I127-Y131 HydrophobicContact CG2-CE1 4.38Å; I127-Y131 WeakPolarHBondContact O-CD1 3.24Å; I127-Y131 VanDerWaalsContact O-CE1 3.26Å; I127-Y131 WeakPolarHBondContact O-CE1 3.43Å; K128-Y131 PolarHBondContact O-N 3.35Å; Y131-H134 PolarHBondContact O-N 2.87Å; Y131-I135 HydrophobicContact CD2-CD1 3.91Å; Y131-I135 WeakPolarHBondContact O-CG1 3.41Å; Y131-I135 PolarHBondContact O-N 2.84Å; Y131-I135 VanDerWaalsContact O-N 3.13Å
132I85.9Confident86.3Confident1 Ų164.7 Ų64.71%0.00532%0.32CS..Hα-helixtrans-57.2-49.5179.8-66.2-171.5000111.2Q41 F121 I124 K128 H134 I135 W136Q41-I132 HydrophobicContact CB-CD1 4.44Å; Q41-I132 HydrophobicContact CG-CD1 3.86Å; Q41-I132 HydrophobicContact CG-CG1 3.78Å; F121-I132 HydrophobicContact CD1-CG2 4.06Å; F121-I132 HydrophobicContact CE1-CG2 3.64Å; F121-I132 HydrophobicContact CZ-CG2 4.48Å; I124-I132 HydrophobicContact CD1-CB 4.11Å; I124-I132 HydrophobicContact CD1-CD1 4.19Å; I124-I132 HydrophobicContact CD1-CG2 4.37Å; K128-I132 HydrophobicContact CB-CD1 3.66Å; K128-I132 HydrophobicContact CB-CG1 4.21Å; K128-I132 HydrophobicContact CD-CD1 4.09Å; K128-I132 HydrophobicContact CG-CD1 4.02Å; K128-I132 VanDerWaalsContact O-CB 3.29Å; K128-I132 WeakPolarHBondContact O-CB 3.38Å; K128-I132 VanDerWaalsContact O-CG1 3.31Å; K128-I132 WeakPolarHBondContact O-CG1 3.31Å; K128-I132 PolarHBondContact O-N 3.24Å; I132-H134 PolarHBondContact O-N 3.5Å; I132-I135 PolarHBondContact O-N 2.9Å; I132-W136 HydrophobicContact CG2-CG 4.38Å; I132-W136 VanDerWaalsContact CG2-NE1 3.29Å; I132-W136 PolarHBondContact O-N 3.21Å
133P88.9Confident86.7Confident4 Ų462.8 Ų62.83%0.02631%0.311CS..Hα-helixtrans-59.4-36.8-178.1-23.234.5000112.5Y112 F121 Q129 R137Y112-P133 WeakPolarHBondContact OH-CB 3.47Å; Y112-P133 PolarHBondContact OH-O 2.9Å; F121-P133 HydrophobicContact CB-CG 3.97Å; F121-P133 HydrophobicContact CD1-CG 4.18Å; F121-P133 HydrophobicContact CD2-CB 3.6Å; F121-P133 HydrophobicContact CD2-CG 3.61Å; F121-P133 HydrophobicContact CE2-CB 3.68Å; F121-P133 HydrophobicContact CE2-CG 4.1Å; F121-P133 HydrophobicContact CG-CB 4.16Å; F121-P133 HydrophobicContact CG-CG 3.65Å; F121-P133 HydrophobicContact CZ-CB 4.3Å; Q129-P133 VanDerWaalsContact O-CD 3.24Å; Q129-P133 WeakPolarHBondContact O-CD 3.24Å; Q129-P133 VanDerWaalsContact O-CG 3.3Å; Q129-P133 WeakPolarHBondContact O-CG 3.38Å; P133-R137 WeakPolarHBondContact O-CB 3.44Å; P133-R137 PolarHBondContact O-N 2.93Å
134H88.9Confident87.3Confident113 Ų11360.3 Ų60.352%0.52329%0.294SS..Hα-helixtrans-66.9-43.9178.7-173.663.6000112.4Y131 I132 W136 R137 N138Y131-H134 PolarHBondContact O-N 2.87Å; I132-H134 PolarHBondContact O-N 3.5Å; H134-W136 PolarHBondContact O-N 2.85Å; H134-R137 PolarHBondContact O-N 3.16Å; H134-N138 PolarHBondContact CD2-ND2 3.34Å; H134-N138 PolarHBondContact CE1-ND2 2.94Å; H134-N138 PolarHBondContact CE1-OD1 3.42Å; H134-N138 PolarHBondContact NE2-ND2 3.4Å; H134-N138 WeakPolarHBondContact O-CB 3.15Å; H134-N138 PolarHBondContact O-N 2.99Å; H134-N138 PolarHBondContact O-ND2 2.87Å; H134-N138 PolarHBondContact O-OD1 3.47Å
135I88.3Confident87.9Confident82 Ų8262.9 Ų62.942%0.42130%0.304SS..Hα-helixtrans-60.5-47176.8-65.5171.2000110.6Y131 I132 K139Y131-I135 HydrophobicContact CD2-CD1 3.91Å; Y131-I135 WeakPolarHBondContact O-CG1 3.41Å; Y131-I135 PolarHBondContact O-N 2.84Å; Y131-I135 VanDerWaalsContact O-N 3.13Å; I132-I135 PolarHBondContact O-N 2.9Å; I135-K139 WeakPolarHBondContact O-CB 3.28Å; I135-K139 PolarHBondContact O-N 3.12Å
136W88.3Confident88.3Confident8 Ų866.8 Ų66.83%0.0331%0.308CS..Hα-helixtrans-64.5-48.2179.6-75.550.1000111.4L6 P39 V44 W106 Y120 F121 I132 H134 K139 K140L6-W136 HydrophobicContact CD1-CH2 4.16Å; L6-W136 HydrophobicContact CD2-CH2 4.12Å; L6-W136 HydrophobicContact CD2-CZ3 3.87Å; P39-W136 HydrophobicContact CB-CH2 3.62Å; P39-W136 HydrophobicContact CB-CZ2 3.55Å; P39-W136 HydrophobicContact CB-CZ3 4.45Å; V44-W136 VanDerWaalsContact CA-CZ2 3.48Å; V44-W136 HydrophobicContact CB-CD2 4.43Å; V44-W136 HydrophobicContact CB-CZ2 4.01Å; V44-W136 VanDerWaalsContact CG1-CD1 3.47Å; V44-W136 HydrophobicContact CG1-CD2 3.66Å; V44-W136 VanDerWaalsContact CG1-CE2 3.5Å; V44-W136 HydrophobicContact CG1-CE3 4.4Å; V44-W136 HydrophobicContact CG1-CG 3.67Å; V44-W136 HydrophobicContact CG1-CZ2 4.11Å; V44-W136 HydrophobicContact CG2-CZ2 4Å; W106-W136 HydrophobicContact CH2-CB 4.02Å; W106-W136 AromaticContact CH2-CE3 3.82Å; W106-W136 HydrophobicContact CH2-CE3 3.82Å; W106-W136 HydrophobicContact CZ2-CE3 4.24Å; W106-W136 HydrophobicContact CZ3-CB 3.82Å; Y120-W136 HydrophobicContact CD1-CZ3 4.35Å; F121-W136 AromaticContact CE1-CD2 3.94Å; F121-W136 HydrophobicContact CE1-CD2 3.94Å; F121-W136 HydrophobicContact CE1-CE3 4.27Å; F121-W136 HydrophobicContact CE1-CG 4.17Å; F121-W136 HydrophobicContact CZ-CB 3.9Å; F121-W136 AromaticContact CZ-CD2 3.77Å; F121-W136 HydrophobicContact CZ-CD2 3.77Å; F121-W136 AromaticContact CZ-CE3 3.95Å; F121-W136 HydrophobicContact CZ-CE3 3.95Å; F121-W136 AromaticContact CZ-CG 3.78Å; F121-W136 HydrophobicContact CZ-CG 3.78Å; I132-W136 HydrophobicContact CG2-CG 4.38Å; I132-W136 VanDerWaalsContact CG2-NE1 3.29Å; I132-W136 PolarHBondContact O-N 3.21Å; H134-W136 PolarHBondContact O-N 2.85Å; W136-K139 PolarHBondContact O-N 3.46Å; W136-K140 WeakPolarHBondContact O-CG 3.34Å; W136-K140 PolarHBondContact O-N 3.39Å
137R91.9Very high88.8Confident48 Ų4860.6 Ų60.618%0.18128%0.283CS..Hα-helixtrans-58.2-54.2-179.7-173.6-175-176.6-161.4-7.2111.3W106 G107 D109 Y112 P133 H134 K139 K140 V141W106-R137 HydrophobicContact CE3-CB 4.05Å; W106-R137 HydrophobicContact CE3-CG 4.41Å; W106-R137 VanDerWaalsContact O-CG 3.31Å; W106-R137 WeakPolarHBondContact O-CG 3.4Å; W106-R137 PolarHBondContact O-NE 3.36Å; G107-R137 PolarHBondContact O-NH2 3.23Å; D109-R137 IonicContact OD1-CZ 3.61Å; D109-R137 IonicContact OD1-NH1 3.7Å; D109-R137 PolarHBondContact OD1-NH1 3.22Å; D109-R137 IonicContact OD1-NH2 3.95Å; D109-R137 PolarHBondContact OD1-NH2 2.56Å; Y112-R137 HydrophobicContact CD2-CG 4.23Å; Y112-R137 HydrophobicContact CE2-CB 3.96Å; Y112-R137 HydrophobicContact CE2-CG 3.99Å; P133-R137 WeakPolarHBondContact O-CB 3.44Å; P133-R137 PolarHBondContact O-N 2.93Å; H134-R137 PolarHBondContact O-N 3.16Å; R137-K139 PolarHBondContact O-N 3.33Å; R137-K139 VanDerWaalsContact O-N 3.15Å; R137-K140 PolarHBondContact O-N 2.9Å; R137-V141 HydrophobicContact CG-CG2 4.16Å; R137-V141 WeakPolarHBondContact O-CB 3.29Å; R137-V141 VanDerWaalsContact O-CG2 3.25Å; R137-V141 WeakPolarHBondContact O-CG2 3.36Å; R137-V141 PolarHBondContact O-N 3.25Å
138N91.7Very high89.1Confident80 Ų8055.2 Ų55.243%0.42826%0.255SS..Hα-helixtrans-55.6-39.1-177.3-72.3-7.8000111.6H134 K142H134-N138 PolarHBondContact CD2-ND2 3.34Å; H134-N138 PolarHBondContact CE1-ND2 2.94Å; H134-N138 PolarHBondContact CE1-OD1 3.42Å; H134-N138 PolarHBondContact NE2-ND2 3.4Å; H134-N138 WeakPolarHBondContact O-CB 3.15Å; H134-N138 PolarHBondContact O-N 2.99Å; H134-N138 PolarHBondContact O-ND2 2.87Å; H134-N138 PolarHBondContact O-OD1 3.47Å; N138-K142 WeakPolarHBondContact O-CB 3.23Å; N138-K142 PolarHBondContact O-N 2.81Å
139K90.5Very high89.4Confident48 Ų4857 Ų5721%0.20927%0.269CS..Hα-helixtrans-72.9-47.5179.8-177.9-175.1-178176.60113.5V44 E45 I135 W136 R137 V141 K142 E143V44-K139 HydrophobicContact CG1-CD 4.47Å; E45-K139 WeakPolarHBondContact OE1-CE 3.45Å; E45-K139 IonicContact OE1-NZ 3.83Å; E45-K139 PolarHBondContact OE1-NZ 2.94Å; I135-K139 WeakPolarHBondContact O-CB 3.28Å; I135-K139 PolarHBondContact O-N 3.12Å; W136-K139 PolarHBondContact O-N 3.46Å; R137-K139 PolarHBondContact O-N 3.33Å; R137-K139 VanDerWaalsContact O-N 3.15Å; K139-V141 VanDerWaalsContact C-N 3.28Å; K139-V141 PolarHBondContact O-N 3.5Å; K139-K142 CarbonylContact O-C 3.58Å; K139-K142 WeakPolarHBondContact O-CA 3.39Å; K139-K142 WeakPolarHBondContact O-CB 3.29Å; K139-K142 PolarHBondContact O-N 3.29Å; K139-K142 VanDerWaalsContact O-N 3.09Å; K139-E143 WeakPolarHBondContact O-CG 3.17Å; K139-E143 PolarHBondContact O-N 3.09Å
140K91.8Very high89.5Confident35 Ų3557 Ų5715%0.15227%0.272CS..Hα-helixtrans-62.7-38.2177.2-72.3-71.9-173.6-1790111.5W106 W136 R137 E143 A144W106-K140 HydrophobicContact CB-CB 3.73Å; W106-K140 HydrophobicContact CD2-CB 3.83Å; W106-K140 HydrophobicContact CD2-CG 3.88Å; W106-K140 HydrophobicContact CG-CB 3.41Å; W106-K140 VanDerWaalsContact CG-CB 3.41Å; W106-K140 HydrophobicContact CG-CG 3.91Å; W106-K140 HydrophobicContact CZ2-CG 4.39Å; W136-K140 WeakPolarHBondContact O-CG 3.34Å; W136-K140 PolarHBondContact O-N 3.39Å; R137-K140 PolarHBondContact O-N 2.9Å; K140-E143 IonicContact NZ-OE2 2.58Å; K140-E143 PolarHBondContact O-N 3.39Å; K140-A144 WeakPolarHBondContact O-CB 3.46Å; K140-A144 PolarHBondContact O-N 3.17Å
141V92.8Very high89.6Confident19 Ų1954.9 Ų54.912%0.11526%0.261CS..Hα-helixtrans-62.8-45.3171.2171.40000110.7W103 W106 R137 K139 A144 K145W103-V141 HydrophobicContact CH2-CG1 4.37Å; W103-V141 HydrophobicContact CZ3-CG1 3.95Å; W106-V141 HydrophobicContact CB-CG2 4.19Å; W106-V141 WeakPolarHBondContact O-CG2 3.29Å; R137-V141 HydrophobicContact CG-CG2 4.16Å; R137-V141 WeakPolarHBondContact O-CB 3.29Å; R137-V141 VanDerWaalsContact O-CG2 3.25Å; R137-V141 WeakPolarHBondContact O-CG2 3.36Å; R137-V141 PolarHBondContact O-N 3.25Å; K139-V141 VanDerWaalsContact C-N 3.28Å; K139-V141 PolarHBondContact O-N 3.5Å; V141-A144 PolarHBondContact O-N 3.3Å; V141-K145 HydrophobicContact CG1-CD 4.31Å; V141-K145 WeakPolarHBondContact O-CG 3.28Å; V141-K145 PolarHBondContact O-N 3.03Å
142K91.8Very high89.5Confident127 Ų12754.4 Ų54.455%0.55227%0.268SS*.Hα-helixtrans-58.8-49.3176.2-170.7178.8179-176.90111.3N138 K139 A144 K145 F146N138-K142 WeakPolarHBondContact O-CB 3.23Å; N138-K142 PolarHBondContact O-N 2.81Å; K139-K142 CarbonylContact O-C 3.58Å; K139-K142 WeakPolarHBondContact O-CA 3.39Å; K139-K142 WeakPolarHBondContact O-CB 3.29Å; K139-K142 PolarHBondContact O-N 3.29Å; K139-K142 VanDerWaalsContact O-N 3.09Å; K142-A144 VanDerWaalsContact C-N 3.33Å; K142-A144 PolarHBondContact O-N 3.03Å; K142-K145 PolarHBondContact O-N 2.99Å; K142-K145 VanDerWaalsContact O-N 3.16Å; K142-F146 HydrophobicContact CD-CD2 4.5Å; K142-F146 HydrophobicContact CD-CE2 4.03Å; K142-F146 HydrophobicContact CG-CD2 3.59Å; K142-F146 HydrophobicContact CG-CE2 3.38Å; K142-F146 WeakPolarHBondContact O-CD2 3.38Å; K142-F146 PolarHBondContact O-N 3.34Å
143E91.5Very high89.3Confident86 Ų8661.5 Ų61.540%0.40231%0.305SS..Hα-helixtrans-56.8-44.6175.7-73.8170.9-169.700111.9K139 K140 K145 F146 S147K139-E143 WeakPolarHBondContact O-CG 3.17Å; K139-E143 PolarHBondContact O-N 3.09Å; K140-E143 IonicContact NZ-OE2 2.58Å; K140-E143 PolarHBondContact O-N 3.39Å; E143-K145 PolarHBondContact O-N 3.06Å; E143-F146 PolarHBondContact O-N 3.14Å; E143-S147 PolarHBondContact O-N 3.34Å
144A92Very high89.2Confident2 Ų266.6 Ų66.62%0.01733%0.327CS..Hα-helixtrans-64.2-38.4176.200000112.5W103 K140 V141 K142 S147 L165W103-A144 HydrophobicContact CB-CB 4.45Å; W103-A144 HydrophobicContact CE3-CB 3.92Å; K140-A144 WeakPolarHBondContact O-CB 3.46Å; K140-A144 PolarHBondContact O-N 3.17Å; V141-A144 PolarHBondContact O-N 3.3Å; K142-A144 VanDerWaalsContact C-N 3.33Å; K142-A144 PolarHBondContact O-N 3.03Å; A144-S147 VanDerWaalsContact O-CB 3.29Å; A144-S147 WeakPolarHBondContact O-CB 3.37Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-S147 PolarHBondContact O-OG 3.07Å; A144-L165 HydrophobicContact CB-CD1 4.42Å
145K91.2Very high89Confident63 Ų6369.2 Ų69.227%0.27434%0.344SS..Hα-helixtrans-64.8-45.6174-68.9-176.4-179.5-1710111.8W103 V141 K142 E143 S147 Q148 L151 D158 I161W103-K145 HydrophobicContact CZ3-CD 4.49Å; W103-K145 HydrophobicContact CZ3-CG 3.86Å; V141-K145 HydrophobicContact CG1-CD 4.31Å; V141-K145 WeakPolarHBondContact O-CG 3.28Å; V141-K145 PolarHBondContact O-N 3.03Å; K142-K145 PolarHBondContact O-N 2.99Å; K142-K145 VanDerWaalsContact O-N 3.16Å; E143-K145 PolarHBondContact O-N 3.06Å; K145-S147 PolarHBondContact O-N 3.25Å; K145-Q148 PolarHBondContact O-N 2.83Å; K145-L151 WeakPolarHBondContact O-CB 3.3Å; K145-D158 VanDerWaalsContact CE-OD1 3.28Å; K145-D158 WeakPolarHBondContact CE-OD1 3.26Å; K145-D158 IonicContact NZ-OD1 3.2Å; K145-D158 PolarHBondContact NZ-OD1 2.78Å; K145-I161 HydrophobicContact CD-CD1 4.07Å; K145-I161 HydrophobicContact CG-CD1 4.17Å
146F91.4Very high89Confident130 Ų13066.9 Ų66.957%0.5733%0.332SS*.Hα-helixtrans-72.2-11.6177.6-74.1-67.7000113.9K142 E143 Q148 C152K142-F146 HydrophobicContact CD-CD2 4.5Å; K142-F146 HydrophobicContact CD-CE2 4.03Å; K142-F146 HydrophobicContact CG-CD2 3.59Å; K142-F146 HydrophobicContact CG-CE2 3.38Å; K142-F146 WeakPolarHBondContact O-CD2 3.38Å; K142-F146 PolarHBondContact O-N 3.34Å; E143-F146 PolarHBondContact O-N 3.14Å; F146-Q148 PolarHBondContact O-N 3.44Å; F146-C152 WeakPolarHBondContact CD1-SG 3.31Å
147S91.5Very high89.2Confident19 Ų1969.4 Ų69.413%0.13335%0.351CS..THydrogen-bonded Turntrans-65-15.3175.880.50000113.1R95 P99 E143 A144 K145R95-S147 PolarHBondContact NE-O 3.48Å; R95-S147 PolarHBondContact NH1-O 3.02Å; R95-S147 PolarHBondContact NH2-O 3.25Å; P99-S147 VanDerWaalsContact CB-OG 3.23Å; P99-S147 WeakPolarHBondContact CB-OG 3.43Å; E143-S147 PolarHBondContact O-N 3.34Å; A144-S147 VanDerWaalsContact O-CB 3.29Å; A144-S147 WeakPolarHBondContact O-CB 3.37Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-S147 PolarHBondContact O-OG 3.07Å; K145-S147 PolarHBondContact O-N 3.25Å
148Q91Very high89.1Confident15 Ų1571 Ų717%0.0736%0.363CS..  trans-134.4124.3178.4-55.5-62-20.400111R95 K145 F146 V150 L151 C152 Y164 L165 L168R95-Q148 VanDerWaalsContact NH2-OE1 3.07Å; R95-Q148 PolarHBondContact O-NE2 3.2Å; K145-Q148 PolarHBondContact O-N 2.83Å; F146-Q148 PolarHBondContact O-N 3.44Å; Q148-V150 HydrophobicContact CB-CG1 4.17Å; Q148-V150 PolarHBondContact O-N 3.37Å; Q148-L151 HydrophobicContact CB-CB 4.38Å; Q148-L151 HydrophobicContact CB-CD1 3.83Å; Q148-L151 HydrophobicContact CB-CG 3.81Å; Q148-L151 HydrophobicContact CG-CD1 4.09Å; Q148-L151 WeakPolarHBondContact O-CB 3.34Å; Q148-L151 PolarHBondContact O-N 3.2Å; Q148-C152 PolarHBondContact O-N 3.22Å; Q148-Y164 HydrophobicContact CB-CE1 4.14Å; Q148-Y164 HydrophobicContact CG-CE1 3.98Å; Q148-L165 HydrophobicContact CG-CD2 3.74Å; Q148-L168 HydrophobicContact CG-CD1 4.39Å
149L87.7Confident89.1Confident129 Ų12971.4 Ų71.468%0.67537%0.373SS*.Hα-helixtrans-57.5-37.1-178.8-69.7174000112.2L151 C152 L153L149-L151 PolarHBondContact O-N 3.41Å; L149-C152 WeakPolarHBondContact O-CB 3.47Å; L149-C152 PolarHBondContact O-N 2.93Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 2.9Å
150V86.7Confident89.3Confident56 Ų5673.3 Ų73.334%0.33938%0.382SS..Hα-helixtrans-59.8-33.1177.7700000112.9Q148 C152 L153 K154 M156 Y164Q148-V150 HydrophobicContact CB-CG1 4.17Å; Q148-V150 PolarHBondContact O-N 3.37Å; V150-C152 VanDerWaalsContact C-N 3.32Å; V150-L153 PolarHBondContact O-N 3.35Å; V150-K154 PolarHBondContact O-N 2.86Å; V150-M156 HydrophobicContact CG2-CE 4.14Å; V150-Y164 HydrophobicContact CG1-CD1 4.26Å; V150-Y164 HydrophobicContact CG1-CE1 3.46Å; V150-Y164 VanDerWaalsContact CG1-CE1 3.46Å; V150-Y164 HydrophobicContact CG1-CE2 4.26Å; V150-Y164 VanDerWaalsContact CG1-CZ 3.47Å; V150-Y164 WeakPolarHBondContact CG1-OH 3.36Å
151L84.3Confident89.4Confident15 Ų1572 Ų728%0.07938%0.377CS..Hα-helixtrans-76.4-23179.2-60.4-179.7000112.1K145 Q148 L149 M156 I161 Y164 L165K145-L151 WeakPolarHBondContact O-CB 3.3Å; Q148-L151 HydrophobicContact CB-CB 4.38Å; Q148-L151 HydrophobicContact CB-CD1 3.83Å; Q148-L151 HydrophobicContact CB-CG 3.81Å; Q148-L151 HydrophobicContact CG-CD1 4.09Å; Q148-L151 WeakPolarHBondContact O-CB 3.34Å; Q148-L151 PolarHBondContact O-N 3.2Å; L149-L151 PolarHBondContact O-N 3.41Å; L151-M156 HydrophobicContact CD2-CE 3.87Å; L151-M156 HydrophobicContact CD2-SD 3.51Å; L151-M156 VanDerWaalsContact CD2-SD 3.51Å; L151-I161 HydrophobicContact CD1-CG2 3.82Å; L151-I161 HydrophobicContact CD2-CB 4.49Å; L151-I161 HydrophobicContact CD2-CG1 4.09Å; L151-I161 HydrophobicContact CD2-CG2 4.33Å; L151-Y164 HydrophobicContact CD1-CD1 4.33Å; L151-Y164 HydrophobicContact CD2-CD1 3.77Å; L151-Y164 HydrophobicContact CD2-CE1 4.38Å; L151-Y164 HydrophobicContact CD2-CG 4.36Å; L151-Y164 HydrophobicContact CG-CD1 4.15Å; L151-Y164 HydrophobicContact CG-CE1 4.42Å; L151-L165 HydrophobicContact CD1-CD1 4.45Å; L151-L165 HydrophobicContact CD1-CD2 4.01Å; L151-L165 HydrophobicContact CD1-CG 4.19Å
152C81.3Confident89.5Confident63 Ų6371.2 Ų71.243%0.42637%0.373SS..Hα-helixtrans-78.8-27.4173.2-57.50000112.3F146 Q148 L149 V150F146-C152 WeakPolarHBondContact CD1-SG 3.31Å; Q148-C152 PolarHBondContact O-N 3.22Å; L149-C152 WeakPolarHBondContact O-CB 3.47Å; L149-C152 PolarHBondContact O-N 2.93Å; V150-C152 VanDerWaalsContact C-N 3.32Å
153L82.5Confident89.7Confident150 Ų15069.7 Ų69.779%0.78537%0.367SS*.Hα-helixtrans-93.4-28.9-174.2-65.3173.9000113L149 V150L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 2.9Å; V150-L153 PolarHBondContact O-N 3.35Å
154K85.4Confident89.9Confident111 Ų11169.2 Ų69.248%0.48336%0.363SS..SBendtrans-105.7129.7179.7-167.4-175.6177.8-163.90110.1V150 M156V150-K154 PolarHBondContact O-N 2.86Å; K154-M156 VanDerWaalsContact C-N 3.34Å; K154-M156 HydrophobicContact CB-CE 4.03Å; K154-M156 HydrophobicContact CB-CG 4.06Å; K154-M156 HydrophobicContact CD-CE 3.5Å; K154-M156 HydrophobicContact CD-CG 3.68Å; K154-M156 HydrophobicContact CD-SD 4.3Å; K154-M156 HydrophobicContact CG-CE 4.28Å; K154-M156 HydrophobicContact CG-CG 3.86Å; K154-M156 PolarHBondContact O-N 3.26Å
155N85Confident90.2Very high167 Ų16769.2 Ų69.289%0.89336%0.362SS*.  trans-69.894.4165.6-72.5-14.5000108.7
156M88.5Confident90.5Very high34 Ų3466.5 Ų66.517%0.16735%0.35CS..  trans-105.1146.2174.2-65.2-170.5-163.900109.8V150 L151 K154 E160 I161V150-M156 HydrophobicContact CG2-CE 4.14Å; L151-M156 HydrophobicContact CD2-CE 3.87Å; L151-M156 HydrophobicContact CD2-SD 3.51Å; L151-M156 VanDerWaalsContact CD2-SD 3.51Å; K154-M156 VanDerWaalsContact C-N 3.34Å; K154-M156 HydrophobicContact CB-CE 4.03Å; K154-M156 HydrophobicContact CB-CG 4.06Å; K154-M156 HydrophobicContact CD-CE 3.5Å; K154-M156 HydrophobicContact CD-CG 3.68Å; K154-M156 HydrophobicContact CD-SD 4.3Å; K154-M156 HydrophobicContact CG-CE 4.28Å; K154-M156 HydrophobicContact CG-CG 3.86Å; K154-M156 PolarHBondContact O-N 3.26Å; M156-E160 HydrophobicContact CB-CB 4.06Å; M156-E160 HydrophobicContact CG-CB 4.5Å; M156-E160 HydrophobicContact SD-CB 4.41Å; M156-I161 HydrophobicContact CB-CD1 4.33Å; M156-I161 HydrophobicContact CB-CG1 3.71Å
157S91.9Very high90.8Very high61 Ų6162.7 Ų62.743%0.42734%0.34SS..  trans-66.9158.4166.263.90000111.1S159 E160 I161S157-S159 PolarHBondContact O-N 2.83Å; S157-E160 WeakPolarHBondContact CB-OE2 3.25Å; S157-E160 PolarHBondContact N-OE2 3.18Å; S157-E160 PolarHBondContact O-N 2.98Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S157-E160 VanDerWaalsContact OG-CG 3.29Å; S157-E160 WeakPolarHBondContact OG-CG 3.49Å; S157-E160 PolarHBondContact OG-N 3.14Å; S157-E160 PolarHBondContact OG-OE2 2.79Å; S157-I161 VanDerWaalsContact O-CG1 3.31Å; S157-I161 WeakPolarHBondContact O-CG1 3.37Å; S157-I161 PolarHBondContact O-N 3.06Å
158D91.3Very high91.1Very high81 Ų8163 Ų6343%0.43334%0.34SS..Hα-helixtrans-59.3-34.2178.7-73.4-19.8000112.3W103 K145 I161 G162W103-D158 HydrophobicContact CH2-CB 4.14Å; W103-D158 HydrophobicContact CZ2-CB 4Å; W103-D158 WeakPolarHBondContact CZ2-O 3.47Å; K145-D158 VanDerWaalsContact CE-OD1 3.28Å; K145-D158 WeakPolarHBondContact CE-OD1 3.26Å; K145-D158 IonicContact NZ-OD1 3.2Å; K145-D158 PolarHBondContact NZ-OD1 2.78Å; D158-I161 PolarHBondContact O-N 3.38Å; D158-G162 PolarHBondContact O-N 2.99Å
159S91.6Very high91.4Very high89 Ų8962.3 Ų62.362%0.62234%0.337SS*.Hα-helixtrans-64.1-45.5174.7177.80000112.3S157 I161 G162 E163S157-S159 PolarHBondContact O-N 2.83Å; S159-I161 VanDerWaalsContact C-N 3.32Å; S159-I161 PolarHBondContact O-N 3.19Å; S159-G162 PolarHBondContact O-N 3.11Å; S159-E163 PolarHBondContact O-N 3.32Å
160E93.5Very high91.9Very high88 Ų8858.9 Ų58.941%0.41132%0.316SS..Hα-helixtrans-64.1-37.7176.9-71.7169118.600112.1M156 S157 Y164M156-E160 HydrophobicContact CB-CB 4.06Å; M156-E160 HydrophobicContact CG-CB 4.5Å; M156-E160 HydrophobicContact SD-CB 4.41Å; S157-E160 WeakPolarHBondContact CB-OE2 3.25Å; S157-E160 PolarHBondContact N-OE2 3.18Å; S157-E160 PolarHBondContact O-N 2.98Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S157-E160 VanDerWaalsContact OG-CG 3.29Å; S157-E160 WeakPolarHBondContact OG-CG 3.49Å; S157-E160 PolarHBondContact OG-N 3.14Å; S157-E160 PolarHBondContact OG-OE2 2.79Å; E160-Y164 WeakPolarHBondContact O-CB 3.33Å; E160-Y164 PolarHBondContact O-N 2.83Å
161I94.6Very high92.5Very high7 Ų761 Ų614%0.03633%0.325CS..Hα-helixtrans-61.9-46.6175.6-65.8169.6000110.3W103 K145 L151 M156 S157 D158 S159 Y164 L165W103-I161 HydrophobicContact CD2-CG2 4.13Å; W103-I161 HydrophobicContact CE3-CG2 3.74Å; W103-I161 HydrophobicContact CH2-CB 3.83Å; W103-I161 HydrophobicContact CH2-CD1 4.27Å; W103-I161 HydrophobicContact CH2-CG2 3.52Å; W103-I161 HydrophobicContact CZ2-CB 4.03Å; W103-I161 HydrophobicContact CZ2-CG2 3.93Å; W103-I161 HydrophobicContact CZ3-CB 4.25Å; W103-I161 HydrophobicContact CZ3-CG2 3.42Å; W103-I161 VanDerWaalsContact CZ3-CG2 3.42Å; K145-I161 HydrophobicContact CD-CD1 4.07Å; K145-I161 HydrophobicContact CG-CD1 4.17Å; L151-I161 HydrophobicContact CD1-CG2 3.82Å; L151-I161 HydrophobicContact CD2-CB 4.49Å; L151-I161 HydrophobicContact CD2-CG1 4.09Å; L151-I161 HydrophobicContact CD2-CG2 4.33Å; M156-I161 HydrophobicContact CB-CD1 4.33Å; M156-I161 HydrophobicContact CB-CG1 3.71Å; S157-I161 VanDerWaalsContact O-CG1 3.31Å; S157-I161 WeakPolarHBondContact O-CG1 3.37Å; S157-I161 PolarHBondContact O-N 3.06Å; D158-I161 PolarHBondContact O-N 3.38Å; S159-I161 VanDerWaalsContact C-N 3.32Å; S159-I161 PolarHBondContact O-N 3.19Å; I161-Y164 PolarHBondContact O-N 2.77Å; I161-L165 HydrophobicContact CG2-CD1 4Å; I161-L165 HydrophobicContact CG2-CG 4.44Å; I161-L165 WeakPolarHBondContact O-CG 3.16Å; I161-L165 PolarHBondContact O-N 3.4Å
162G95.4Very high93.1Very high3 Ų360.3 Ų60.33%0.03132%0.322CS..Hα-helixtrans-57.6-54.9176.600000112D158 S159 Y164 L165 Y166D158-G162 PolarHBondContact O-N 2.99Å; S159-G162 PolarHBondContact O-N 3.11Å; G162-Y164 VanDerWaalsContact C-N 3.27Å; G162-Y164 PolarHBondContact O-N 3.37Å; G162-L165 PolarHBondContact O-N 3Å; G162-Y166 WeakPolarHBondContact O-CB 3.13Å; G162-Y166 WeakPolarHBondContact O-CD2 3.39Å; G162-Y166 PolarHBondContact O-N 3.44Å
163E95.5Very high93.9Very high95 Ų9557.4 Ų57.444%0.44430%0.302SS..Hα-helixtrans-55.9-41.5178.4-72.8-57143.800112.4S159 Y166 S167 H237S159-E163 PolarHBondContact O-N 3.32Å; E163-Y166 PolarHBondContact O-N 3.18Å; E163-S167 WeakPolarHBondContact O-CB 3.35Å; E163-S167 PolarHBondContact O-N 3.47Å; E163-H237 IonicContact OE1-CD2 2.9Å; E163-H237 IonicContact OE1-NE2 2.63Å
164Y95.9Very high94.7Very high76 Ų7653.5 Ų53.530%0.29828%0.284SS..Hα-helixtrans-62.2-52.5176.1179.7-103000112Q148 V150 L151 E160 I161 G162 Y166 S167 L168Q148-Y164 HydrophobicContact CB-CE1 4.14Å; Q148-Y164 HydrophobicContact CG-CE1 3.98Å; V150-Y164 HydrophobicContact CG1-CD1 4.26Å; V150-Y164 HydrophobicContact CG1-CE1 3.46Å; V150-Y164 VanDerWaalsContact CG1-CE1 3.46Å; V150-Y164 HydrophobicContact CG1-CE2 4.26Å; V150-Y164 VanDerWaalsContact CG1-CZ 3.47Å; V150-Y164 WeakPolarHBondContact CG1-OH 3.36Å; L151-Y164 HydrophobicContact CD1-CD1 4.33Å; L151-Y164 HydrophobicContact CD2-CD1 3.77Å; L151-Y164 HydrophobicContact CD2-CE1 4.38Å; L151-Y164 HydrophobicContact CD2-CG 4.36Å; L151-Y164 HydrophobicContact CG-CD1 4.15Å; L151-Y164 HydrophobicContact CG-CE1 4.42Å; E160-Y164 WeakPolarHBondContact O-CB 3.33Å; E160-Y164 PolarHBondContact O-N 2.83Å; I161-Y164 PolarHBondContact O-N 2.77Å; G162-Y164 VanDerWaalsContact C-N 3.27Å; G162-Y164 PolarHBondContact O-N 3.37Å; Y164-Y166 VanDerWaalsContact C-N 3.3Å; Y164-Y166 PolarHBondContact O-N 3.39Å; Y164-S167 PolarHBondContact O-N 3.13Å; Y164-S167 PolarHBondContact O-OG 3.01Å; Y164-L168 HydrophobicContact CD1-CD1 4.29Å; Y164-L168 HydrophobicContact CE1-CD1 3.63Å; Y164-L168 HydrophobicContact CE1-CG 4.38Å; Y164-L168 PolarHBondContact O-N 3.27Å
165L97.4Very high95.2Very high1 Ų150.9 Ų50.91%0.00528%0.28CS..Hα-helixtrans-61-41179-69.4176.1000111.7P99 A100 W103 A144 Q148 L151 I161 G162 S167 L168 A169P99-L165 HydrophobicContact CB-CD2 4.24Å; A100-L165 HydrophobicContact CB-CB 4.22Å; A100-L165 WeakPolarHBondContact CB-O 3.44Å; W103-L165 HydrophobicContact CB-CD1 3.64Å; W103-L165 HydrophobicContact CD2-CD1 3.9Å; W103-L165 HydrophobicContact CE3-CD1 3.86Å; W103-L165 HydrophobicContact CG-CD1 3.8Å; A144-L165 HydrophobicContact CB-CD1 4.42Å; Q148-L165 HydrophobicContact CG-CD2 3.74Å; L151-L165 HydrophobicContact CD1-CD1 4.45Å; L151-L165 HydrophobicContact CD1-CD2 4.01Å; L151-L165 HydrophobicContact CD1-CG 4.19Å; I161-L165 HydrophobicContact CG2-CD1 4Å; I161-L165 HydrophobicContact CG2-CG 4.44Å; I161-L165 WeakPolarHBondContact O-CG 3.16Å; I161-L165 PolarHBondContact O-N 3.4Å; G162-L165 PolarHBondContact O-N 3Å; L165-S167 PolarHBondContact O-N 2.59Å; L165-L168 PolarHBondContact O-N 2.99Å; L165-A169 PolarHBondContact O-N 3.32Å
166Y97.9Very high95.9Very high6 Ų643.1 Ų43.12%0.02424%0.238CC..Hα-helixtrans-66.9-35.3177.4-62.4-36.2000113.1A100 W103 F104 G162 E163 Y164 L168 A169 K170 H236 H237 L238A100-Y166 HydrophobicContact CB-CD1 4.16Å; A100-Y166 WeakPolarHBondContact O-CE1 3.44Å; W103-Y166 AromaticContact CD1-CZ 3.69Å; F104-Y166 VanDerWaalsContact CA-OH 3.25Å; F104-Y166 WeakPolarHBondContact CA-OH 3.36Å; F104-Y166 HydrophobicContact CB-CE1 3.99Å; G162-Y166 WeakPolarHBondContact O-CB 3.13Å; G162-Y166 WeakPolarHBondContact O-CD2 3.39Å; G162-Y166 PolarHBondContact O-N 3.44Å; E163-Y166 PolarHBondContact O-N 3.18Å; Y164-Y166 VanDerWaalsContact C-N 3.3Å; Y164-Y166 PolarHBondContact O-N 3.39Å; Y166-L168 VanDerWaalsContact C-N 3.33Å; Y166-L168 PolarHBondContact O-N 3.34Å; Y166-A169 PolarHBondContact O-N 3.33Å; Y166-K170 VanDerWaalsContact O-CG 3.27Å; Y166-K170 WeakPolarHBondContact O-CG 3.4Å; Y166-K170 PolarHBondContact O-N 3.48Å; Y166-H236 AromaticContact CE1-CE1 3.99Å; Y166-H236 AromaticContact CE2-CE1 3.58Å; Y166-H236 AromaticContact CE2-NE2 3.57Å; Y166-H236 AromaticContact CZ-CE1 3.54Å; Y166-H236 AromaticContact CZ-NE2 3.64Å; Y166-H237 VanDerWaalsContact CB-CE1 3.49Å; Y166-H237 WeakPolarHBondContact CB-CE1 3.46Å; Y166-H237 AromaticContact CD2-CE1 3.12Å; Y166-H237 WeakPolarHBondContact CD2-CE1 3.44Å; Y166-H237 AromaticContact CD2-NE2 3.29Å; Y166-H237 VanDerWaalsContact CD2-NE2 3.29Å; Y166-H237 WeakPolarHBondContact CD2-NE2 3.38Å; Y166-H237 AromaticContact CE2-CE1 3.84Å; Y166-H237 AromaticContact CE2-NE2 3.7Å; Y166-H237 AromaticContact CG-CE1 3.43Å; Y166-H237 VanDerWaalsContact CG-CE1 3.43Å; Y166-L238 HydrophobicContact CD1-CB 4.49Å; Y166-L238 HydrophobicContact CD1-CD2 3.86Å; Y166-L238 HydrophobicContact CE1-CD2 4.12Å
167S97.5Very high96.3Very high51 Ų5142 Ų4236%0.35724%0.235SC..Hα-helixtrans-61.4-42.1173.877.40000111.7E163 Y164 L165 K170 L171E163-S167 WeakPolarHBondContact O-CB 3.35Å; E163-S167 PolarHBondContact O-N 3.47Å; Y164-S167 PolarHBondContact O-N 3.13Å; Y164-S167 PolarHBondContact O-OG 3.01Å; L165-S167 PolarHBondContact O-N 2.59Å; S167-K170 PolarHBondContact O-N 2.67Å; S167-L171 WeakPolarHBondContact O-CG 3.5Å; S167-L171 PolarHBondContact O-N 2.72Å
168L97.7Very high96.5Very high26 Ų2646.9 Ų46.914%0.13625%0.25CS..Hα-helixtrans-65.5-40.7175.9-63.3179.9000111.9R96 Q148 Y164 L165 Y166 L171 C172R96-L168 HydrophobicContact CB-CB 4.26Å; R96-L168 HydrophobicContact CG-CB 4.37Å; Q148-L168 HydrophobicContact CG-CD1 4.39Å; Y164-L168 HydrophobicContact CD1-CD1 4.29Å; Y164-L168 HydrophobicContact CE1-CD1 3.63Å; Y164-L168 HydrophobicContact CE1-CG 4.38Å; Y164-L168 PolarHBondContact O-N 3.27Å; L165-L168 PolarHBondContact O-N 2.99Å; Y166-L168 VanDerWaalsContact C-N 3.33Å; Y166-L168 PolarHBondContact O-N 3.34Å; L168-L171 PolarHBondContact O-N 3.48Å; L168-C172 PolarHBondContact O-N 2.85Å
169A98.3Very high96.7Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-68.1-38.7177.600000112.6L97 A100 L165 Y166 L171 C172 I173 L238L97-A169 HydrophobicContact CD1-CB 4.25Å; A100-A169 HydrophobicContact CB-CB 3.37Å; L165-A169 PolarHBondContact O-N 3.32Å; Y166-A169 PolarHBondContact O-N 3.33Å; A169-L171 PolarHBondContact O-N 3.3Å; A169-C172 WeakPolarHBondContact O-CB 3.34Å; A169-C172 PolarHBondContact O-N 3.2Å; A169-C172 VanDerWaalsContact O-N 3.16Å; A169-I173 WeakPolarHBondContact O-CB 3.39Å; A169-I173 VanDerWaalsContact O-CG1 3.27Å; A169-I173 WeakPolarHBondContact O-CG1 3.45Å; A169-I173 PolarHBondContact O-N 3.41Å; A169-L238 HydrophobicContact CB-CD1 3.87Å
170K98.3Very high96.9Very high56 Ų5641.8 Ų41.824%0.24322%0.216CC..Hα-helixtrans-57.4-49.3173.4-73.4171.7-174.7169.80110.7Y166 S167 C172 I173 T174 H237 L238 H241Y166-K170 VanDerWaalsContact O-CG 3.27Å; Y166-K170 WeakPolarHBondContact O-CG 3.4Å; Y166-K170 PolarHBondContact O-N 3.48Å; S167-K170 PolarHBondContact O-N 2.67Å; K170-C172 VanDerWaalsContact C-N 3.31Å; K170-C172 PolarHBondContact O-N 2.9Å; K170-I173 PolarHBondContact O-N 2.9Å; K170-I173 VanDerWaalsContact O-N 3.17Å; K170-T174 PolarHBondContact O-N 2.6Å; K170-T174 PolarHBondContact O-OG1 3.05Å; K170-T174 VanDerWaalsContact O-OG1 3.08Å; K170-H237 WeakPolarHBondContact CE-ND1 3.22Å; K170-H237 PolarHBondContact NZ-ND1 3.34Å; K170-L238 HydrophobicContact CG-CD1 4.08Å; K170-H241 HydrophobicContact CD-CB 4.48Å; K170-H241 HydrophobicContact CG-CB 4.01Å; K170-H241 PolarHBondContact O-CE1 3.35Å
171L97.9Very high96.9Very high102 Ų10238.8 Ų38.853%0.53421%0.209SC..Hα-helixtrans-57.3-43.9174.6-68.1172.2000112S167 L168 A169 T174 S175S167-L171 WeakPolarHBondContact O-CG 3.5Å; S167-L171 PolarHBondContact O-N 2.72Å; L168-L171 PolarHBondContact O-N 3.48Å; A169-L171 PolarHBondContact O-N 3.3Å; L171-T174 PolarHBondContact O-N 2.89Å; L171-S175 PolarHBondContact O-N 3.46Å; L171-S175 PolarHBondContact O-OG 2.82Å; L171-S175 VanDerWaalsContact O-OG 3.12Å
172C98.2Very high96.8Very high0 Ų045.1 Ų45.10%024%0.238CC..Hα-helixtrans-61.1-45.2176.6-173.90000112R96 L168 A169 K170 S175 L176R96-C172 HydrophobicContact CB-CB 3.86Å; L168-C172 PolarHBondContact O-N 2.85Å; A169-C172 WeakPolarHBondContact O-CB 3.34Å; A169-C172 PolarHBondContact O-N 3.2Å; A169-C172 VanDerWaalsContact O-N 3.16Å; K170-C172 VanDerWaalsContact C-N 3.31Å; K170-C172 PolarHBondContact O-N 2.9Å; C172-S175 PolarHBondContact O-N 3.31Å; C172-L176 WeakPolarHBondContact O-CB 3.3Å; C172-L176 VanDerWaalsContact O-CG 3.22Å; C172-L176 WeakPolarHBondContact O-CG 3.02Å; C172-L176 PolarHBondContact O-N 2.98Å
173I98.4Very high96.8Very high1 Ų149.7 Ų49.71%0.00526%0.262CS..Hα-helixtrans-61.9-44.5178-71165.4000110.4L97 A169 K170 S175 L176 A177 L238 L242 L248L97-I173 HydrophobicContact CD1-CD1 4.24Å; L97-I173 HydrophobicContact CD1-CG1 4.21Å; A169-I173 WeakPolarHBondContact O-CB 3.39Å; A169-I173 VanDerWaalsContact O-CG1 3.27Å; A169-I173 WeakPolarHBondContact O-CG1 3.45Å; A169-I173 PolarHBondContact O-N 3.41Å; K170-I173 PolarHBondContact O-N 2.9Å; K170-I173 VanDerWaalsContact O-N 3.17Å; I173-S175 PolarHBondContact O-N 3.42Å; I173-L176 PolarHBondContact O-N 3.32Å; I173-A177 WeakPolarHBondContact O-CB 3.41Å; I173-A177 PolarHBondContact O-N 3.02Å; I173-L238 HydrophobicContact CD1-CD1 3.79Å; I173-L242 HydrophobicContact CD1-CB 4.42Å; I173-L242 HydrophobicContact CG2-CD1 4.13Å; I173-L248 HydrophobicContact CG2-CD1 3.73Å
174T97.8Very high96.7Very high69 Ų6949 Ų4942%0.42326%0.264SS..Hα-helixtrans-60.2-45.6175.8-52.90000111.5K170 L171 A177 H178 H241K170-T174 PolarHBondContact O-N 2.6Å; K170-T174 PolarHBondContact O-OG1 3.05Å; K170-T174 VanDerWaalsContact O-OG1 3.08Å; L171-T174 PolarHBondContact O-N 2.89Å; T174-A177 PolarHBondContact O-N 3.43Å; T174-H178 PolarHBondContact O-N 3.42Å; T174-H241 PolarHBondContact OG1-CE1 2.93Å; T174-H241 PolarHBondContact OG1-NE2 3.34Å
175S97.6Very high96.7Very high56 Ų5646.1 Ų46.139%0.39225%0.253SS..Hα-helixtrans-62.8-43.3177-61.70000112L171 C172 I173 H178 I179L171-S175 PolarHBondContact O-N 3.46Å; L171-S175 PolarHBondContact O-OG 2.82Å; L171-S175 VanDerWaalsContact O-OG 3.12Å; C172-S175 PolarHBondContact O-N 3.31Å; I173-S175 PolarHBondContact O-N 3.42Å; S175-H178 PolarHBondContact O-N 2.94Å; S175-I179 WeakPolarHBondContact O-CB 3.44Å; S175-I179 VanDerWaalsContact O-CG1 3.24Å; S175-I179 WeakPolarHBondContact O-CG1 3.46Å; S175-I179 PolarHBondContact O-N 2.73Å
176L98.1Very high96.6Very high3 Ų346.4 Ų46.42%0.01625%0.254CS..Hα-helixtrans-63.3-42.8177-71.4170000111.4L89 I93 L97 C172 I173 H178 I179 L180 F186 V198 L248L89-L176 HydrophobicContact CD2-CD2 4.05Å; I93-L176 HydrophobicContact CD1-CD2 4.27Å; I93-L176 HydrophobicContact CG1-CD1 4.19Å; I93-L176 HydrophobicContact CG1-CD2 4.36Å; L97-L176 HydrophobicContact CD2-CD1 4.34Å; C172-L176 WeakPolarHBondContact O-CB 3.3Å; C172-L176 VanDerWaalsContact O-CG 3.22Å; C172-L176 WeakPolarHBondContact O-CG 3.02Å; C172-L176 PolarHBondContact O-N 2.98Å; I173-L176 PolarHBondContact O-N 3.32Å; L176-H178 VanDerWaalsContact C-N 3.31Å; L176-H178 PolarHBondContact O-N 2.79Å; L176-I179 PolarHBondContact O-N 3.48Å; L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 PolarHBondContact O-N 3Å; L176-F186 HydrophobicContact CB-CE1 3.89Å; L176-F186 HydrophobicContact CB-CZ 4.13Å; L176-F186 HydrophobicContact CD2-CD1 4.27Å; L176-F186 HydrophobicContact CD2-CE1 3.6Å; L176-F186 HydrophobicContact CD2-CZ 4.14Å; L176-F186 HydrophobicContact CG-CE1 4.34Å; L176-F186 WeakPolarHBondContact O-CE1 3.42Å; L176-V198 HydrophobicContact CD1-CG2 4.02Å; L176-V198 HydrophobicContact CD2-CG2 3.93Å; L176-L248 HydrophobicContact CB-CD1 4.45Å; L176-L248 HydrophobicContact CB-CD2 4.28Å
177A96.8Very high96.3Very high12 Ų1246.4 Ų46.410%0.09926%0.255CS..Hα-helixtrans-60.3-43.117500000111.1I173 T174 G181 C245 N247 L248I173-A177 WeakPolarHBondContact O-CB 3.41Å; I173-A177 PolarHBondContact O-N 3.02Å; T174-A177 PolarHBondContact O-N 3.43Å; A177-G181 PolarHBondContact O-N 3.01Å; A177-G181 VanDerWaalsContact O-N 3.08Å; A177-C245 HydrophobicContact CB-CB 3.98Å; A177-N247 PolarHBondContact O-ND2 3.45Å; A177-L248 HydrophobicContact CB-CD1 3.84Å; A177-L248 HydrophobicContact CB-CG 3.94Å
178H96.6Very high95.8Very high162 Ų16246 Ų4675%0.7526%0.258SS*.Hα-helixtrans-65.3-43.3177.8-17165.1000112.5T174 S175 L176 G181T174-H178 PolarHBondContact O-N 3.42Å; S175-H178 PolarHBondContact O-N 2.94Å; L176-H178 VanDerWaalsContact C-N 3.31Å; L176-H178 PolarHBondContact O-N 2.79Å; H178-G181 PolarHBondContact O-N 3.26Å
179I96.1Very high95.4Very high62 Ų6251.5 Ų51.532%0.31829%0.288SS..Hα-helixtrans-68-40.6-179.7-69167.8000111.6L89 S175 L176 G181 F186L89-I179 HydrophobicContact CD1-CG2 4.17Å; L89-I179 HydrophobicContact CD2-CD1 3.44Å; L89-I179 VanDerWaalsContact CD2-CD1 3.44Å; S175-I179 WeakPolarHBondContact O-CB 3.44Å; S175-I179 VanDerWaalsContact O-CG1 3.24Å; S175-I179 WeakPolarHBondContact O-CG1 3.46Å; S175-I179 PolarHBondContact O-N 2.73Å; L176-I179 PolarHBondContact O-N 3.48Å; I179-G181 VanDerWaalsContact C-N 3.33Å; I179-F186 HydrophobicContact CG2-CD1 4.19Å
180L96.6Very high95.1Very high1 Ų154.6 Ų54.61%0.00530%0.3CS..Hα-helixtrans-63.4-42.2175.7-179.167.2000110.7L176 E182 N183 F186 N247 L248 F251L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 PolarHBondContact O-N 3Å; L180-E182 PolarHBondContact O-N 3.48Å; L180-N183 WeakPolarHBondContact CD1-O 3.34Å; L180-N183 VanDerWaalsContact O-CB 3.25Å; L180-N183 WeakPolarHBondContact O-CB 3.09Å; L180-N183 PolarHBondContact O-N 3.22Å; L180-F186 HydrophobicContact CB-CD1 4.38Å; L180-F186 HydrophobicContact CB-CE1 3.93Å; L180-F186 HydrophobicContact CB-CZ 4.09Å; L180-F186 HydrophobicContact CD1-CD2 4.27Å; L180-F186 HydrophobicContact CD1-CE2 4.25Å; L180-F186 HydrophobicContact CD1-CG 4.49Å; L180-F186 HydrophobicContact CD1-CZ 4.47Å; L180-N247 HydrophobicContact CD2-CB 4.45Å; L180-N247 WeakPolarHBondContact CD2-O 3.31Å; L180-L248 HydrophobicContact CD2-CD2 3.9Å; L180-F251 HydrophobicContact CD1-CD2 4.44Å; L180-F251 HydrophobicContact CD2-CB 3.61Å; L180-F251 HydrophobicContact CD2-CG 4.2Å
181G93.5Very high94.9Very high26 Ų2652.4 Ų52.427%0.26829%0.291SS..THydrogen-bonded Turntrans53.3-124.4-178.900000111.4A177 H178 I179 N247A177-G181 PolarHBondContact O-N 3.01Å; A177-G181 VanDerWaalsContact O-N 3.08Å; H178-G181 PolarHBondContact O-N 3.26Å; I179-G181 VanDerWaalsContact C-N 3.33Å; G181-N247 WeakPolarHBondContact O-CB 3.36Å; G181-N247 PolarHBondContact O-ND2 3.34Å
182E91.8Very high94.8Very high140 Ų14047.6 Ų47.665%0.65427%0.266SS*.THydrogen-bonded Turntrans-95.71.2174.8-65.1-55.9146.100114.2L180 R250L180-E182 PolarHBondContact O-N 3.48Å; E182-R250 PolarHBondContact O-NH2 3.43Å; E182-R250 IonicContact OE2-CZ 3.32Å; E182-R250 VanDerWaalsContact OE2-CZ 3.32Å; E182-R250 IonicContact OE2-NH1 2.9Å; E182-R250 PolarHBondContact OE2-NH1 2.88Å; E182-R250 IonicContact OE2-NH2 2.76Å; E182-R250 PolarHBondContact OE2-NH2 2.99Å
183N94.4Very high94.6Very high99 Ų9947.6 Ų47.653%0.52927%0.266SS..  trans-70.2157.1-178.5-61.1-36.5000111.5L180 Y185L180-N183 WeakPolarHBondContact CD1-O 3.34Å; L180-N183 VanDerWaalsContact O-CB 3.25Å; L180-N183 WeakPolarHBondContact O-CB 3.09Å; L180-N183 PolarHBondContact O-N 3.22Å; N183-Y185 WeakPolarHBondContact CB-O 3.43Å
184T93.9Very high94.6Very high81 Ų8147.5 Ų47.550%0.49727%0.266SS..SBendtrans-80.2-31.8176.1-58.30000111.9F251T184-F251 WeakPolarHBondContact O-CD2 3.31Å
185Y95.4Very high94.6Very high15 Ų1544.2 Ų44.26%0.05925%0.246CC..SBendtrans-131161.9-178.7-57.8-67.3000109.6N183 D189 P191 D195 I255 K258N183-Y185 WeakPolarHBondContact CB-O 3.43Å; Y185-D189 VanDerWaalsContact CD2-C 3.47Å; Y185-D189 WeakPolarHBondContact CD2-O 3.46Å; Y185-D189 VanDerWaalsContact CE2-O 3.29Å; Y185-D189 WeakPolarHBondContact CE2-O 3.13Å; Y185-P191 HydrophobicContact CD1-CB 3.84Å; Y185-P191 HydrophobicContact CE1-CB 3.66Å; Y185-P191 HydrophobicContact CE1-CG 4.1Å; Y185-D195 VanDerWaalsContact CA-OD1 3.25Å; Y185-D195 WeakPolarHBondContact CA-OD1 3.45Å; Y185-D195 WeakPolarHBondContact CB-OD1 3.09Å; Y185-I255 HydrophobicContact CD1-CD1 4.22Å; Y185-I255 HydrophobicContact CE1-CD1 3.66Å; Y185-K258 PolarHBondContact OH-NZ 3.26Å
186F95.2Very high94.5Very high7 Ų741.6 Ų41.63%0.03123%0.227CC..SBendtrans-72.5-35.6-177.5-81.6-89.9000113.8L176 I179 L180 V194 D195 V198 L248 F251L176-F186 HydrophobicContact CB-CE1 3.89Å; L176-F186 HydrophobicContact CB-CZ 4.13Å; L176-F186 HydrophobicContact CD2-CD1 4.27Å; L176-F186 HydrophobicContact CD2-CE1 3.6Å; L176-F186 HydrophobicContact CD2-CZ 4.14Å; L176-F186 HydrophobicContact CG-CE1 4.34Å; L176-F186 WeakPolarHBondContact O-CE1 3.42Å; I179-F186 HydrophobicContact CG2-CD1 4.19Å; L180-F186 HydrophobicContact CB-CD1 4.38Å; L180-F186 HydrophobicContact CB-CE1 3.93Å; L180-F186 HydrophobicContact CB-CZ 4.09Å; L180-F186 HydrophobicContact CD1-CD2 4.27Å; L180-F186 HydrophobicContact CD1-CE2 4.25Å; L180-F186 HydrophobicContact CD1-CG 4.49Å; L180-F186 HydrophobicContact CD1-CZ 4.47Å; F186-V194 HydrophobicContact CB-CB 4.13Å; F186-V194 HydrophobicContact CB-CG1 3.67Å; F186-V194 HydrophobicContact CD1-CG1 4.16Å; F186-V194 HydrophobicContact CD2-CG1 4.2Å; F186-V194 HydrophobicContact CG-CG1 3.74Å; F186-D195 WeakPolarHBondContact CD2-OD1 3.09Å; F186-D195 PolarHBondContact N-OD1 2.83Å; F186-V198 HydrophobicContact CD2-CG2 4.25Å; F186-V198 HydrophobicContact CE1-CG2 4.37Å; F186-V198 HydrophobicContact CE2-CB 3.86Å; F186-V198 HydrophobicContact CE2-CG1 3.77Å; F186-V198 HydrophobicContact CE2-CG2 3.69Å; F186-V198 HydrophobicContact CZ-CB 4.23Å; F186-V198 HydrophobicContact CZ-CG1 3.86Å; F186-V198 HydrophobicContact CZ-CG2 3.76Å; F186-L248 HydrophobicContact CZ-CD2 3.76Å; F186-F251 HydrophobicContact CD2-CE2 4.2Å; F186-F251 HydrophobicContact CD2-CZ 4.31Å; F186-F251 HydrophobicContact CE2-CD1 4.38Å; F186-F251 HydrophobicContact CE2-CD2 4.36Å; F186-F251 HydrophobicContact CE2-CE1 4.13Å; F186-F251 HydrophobicContact CE2-CE2 4.1Å; F186-F251 AromaticContact CE2-CZ 3.98Å; F186-F251 HydrophobicContact CE2-CZ 3.98Å
187V91.7Very high94.5Very high5 Ų541.8 Ų41.83%0.0323%0.227CC..SBendtrans-139119.4-175.1-175.50000108.6L78 E82 L89 T192 V194L78-V187 HydrophobicContact CD1-CG1 4.39Å; L78-V187 HydrophobicContact CD2-CG1 3.89Å; E82-V187 HydrophobicContact CB-CG1 3.6Å; E82-V187 HydrophobicContact CG-CG1 3.81Å; L89-V187 HydrophobicContact CD1-CG2 4.34Å; V187-T192 HydrophobicContact CB-CG2 4.12Å; V187-T192 WeakPolarHBondContact O-CG2 3.31Å; V187-V194 HydrophobicContact CG2-CG2 4.23Å
188G86.8Confident94.6Very high42 Ų4241.2 Ų41.243%0.43322%0.223SC..SBendtrans70.9-160.1-177.900000114.5
189D89.5Confident94.6Very high142 Ų14233.5 Ų33.576%0.75919%0.187SC*.SBendtrans-1013.4-174.568.2-17.5000114Y185Y185-D189 VanDerWaalsContact CD2-C 3.47Å; Y185-D189 WeakPolarHBondContact CD2-O 3.46Å; Y185-D189 VanDerWaalsContact CE2-O 3.29Å; Y185-D189 WeakPolarHBondContact CE2-O 3.13Å
190R91.9Very high94.7Very high65 Ų6530.5 Ų30.525%0.24517%0.172CC..SBendtrans-135.4157-17565.7179.4-173.8154.1-3.2110.6L74 D77 T192L74-R190 PolarHBondContact O-NH2 2.84Å; D77-R190 VanDerWaalsContact N-NH2 3.16Å; D77-R190 IonicContact OD2-CZ 3.04Å; D77-R190 IonicContact OD2-NH1 2.67Å; D77-R190 PolarHBondContact OD2-NH1 3.38Å; D77-R190 IonicContact OD2-NH2 2.79Å; D77-R190 PolarHBondContact OD2-NH2 3.42Å; R190-T192 PolarHBondContact O-N 3.5Å
191P95.3Very high94.8Very high11 Ų1130.5 Ų30.57%0.07117%0.172CC..  trans-69.3132.9177.830.1-35.2000111F27 Y185 D195 Y259F27-P191 HydrophobicContact CB-CB 4.24Å; F27-P191 HydrophobicContact CB-CG 3.95Å; F27-P191 HydrophobicContact CD1-CB 4.21Å; F27-P191 HydrophobicContact CD1-CG 4.22Å; F27-P191 HydrophobicContact CD2-CB 3.56Å; F27-P191 HydrophobicContact CD2-CG 4.19Å; F27-P191 HydrophobicContact CE1-CB 4.46Å; F27-P191 HydrophobicContact CE2-CB 3.8Å; F27-P191 HydrophobicContact CG-CB 3.76Å; F27-P191 HydrophobicContact CG-CG 3.87Å; F27-P191 HydrophobicContact CZ-CB 4.27Å; Y185-P191 HydrophobicContact CD1-CB 3.84Å; Y185-P191 HydrophobicContact CE1-CB 3.66Å; Y185-P191 HydrophobicContact CE1-CG 4.1Å; P191-D195 HydrophobicContact CB-CB 4.29Å; P191-Y259 HydrophobicContact CG-CE2 4.48Å; P191-Y259 WeakPolarHBondContact CG-OH 3.45Å
192T95Very high94.9Very high0 Ų029.3 Ų29.30%016%0.159CC..  trans-110.2-177.5178.466.80000111L78 V187 R190 V194 D195 A196L78-T192 HydrophobicContact CD1-CG2 4.39Å; L78-T192 HydrophobicContact CD2-CG2 4.17Å; V187-T192 HydrophobicContact CB-CG2 4.12Å; V187-T192 WeakPolarHBondContact O-CG2 3.31Å; R190-T192 PolarHBondContact O-N 3.5Å; T192-V194 PolarHBondContact O-N 2.91Å; T192-V194 PolarHBondContact OG1-N 3.01Å; T192-D195 PolarHBondContact N-OD2 3Å; T192-D195 PolarHBondContact O-N 3.38Å; T192-D195 PolarHBondContact OG1-OD2 2.84Å; T192-A196 PolarHBondContact O-N 2.84Å
193A95.3Very high95.1Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-56.3-38.6170.500000111.7Y24 I90 D195 A196 Y197Y24-A193 HydrophobicContact CD2-CB 4.33Å; Y24-A193 HydrophobicContact CE2-CB 4.02Å; I90-A193 HydrophobicContact CD1-CB 3.79Å; A193-D195 VanDerWaalsContact C-N 3.32Å; A193-D195 PolarHBondContact O-N 3.34Å; A193-A196 WeakPolarHBondContact O-CB 3.49Å; A193-A196 PolarHBondContact O-N 3.45Å; A193-A196 VanDerWaalsContact O-N 3.07Å; A193-Y197 VanDerWaalsContact O-CD2 3.31Å; A193-Y197 WeakPolarHBondContact O-CD2 3.37Å; A193-Y197 PolarHBondContact O-N 3.35Å
194V96.8Very high95.2Very high0 Ų018.1 Ų18.10%010%0.104CC..Hα-helixtrans-56.6-48178.3-177.50000110.9S86 L89 I90 I93 F186 V187 T192 A196 Y197 V198S86-V194 WeakPolarHBondContact OG-CG2 3.42Å; L89-V194 HydrophobicContact CB-CG1 3.88Å; L89-V194 HydrophobicContact CB-CG2 4.05Å; L89-V194 HydrophobicContact CD1-CG1 3.91Å; L89-V194 HydrophobicContact CD1-CG2 4.3Å; L89-V194 HydrophobicContact CG-CG1 4.49Å; I90-V194 HydrophobicContact CD1-CG2 4.42Å; I90-V194 HydrophobicContact CG1-CG2 4.12Å; I93-V194 HydrophobicContact CD1-CG1 4.39Å; F186-V194 HydrophobicContact CB-CB 4.13Å; F186-V194 HydrophobicContact CB-CG1 3.67Å; F186-V194 HydrophobicContact CD1-CG1 4.16Å; F186-V194 HydrophobicContact CD2-CG1 4.2Å; F186-V194 HydrophobicContact CG-CG1 3.74Å; V187-V194 HydrophobicContact CG2-CG2 4.23Å; T192-V194 PolarHBondContact O-N 2.91Å; T192-V194 PolarHBondContact OG1-N 3.01Å; V194-A196 PolarHBondContact O-N 3.47Å; V194-Y197 PolarHBondContact O-N 2.65Å; V194-V198 HydrophobicContact CG1-CG2 4.28Å; V194-V198 WeakPolarHBondContact O-CG2 3.16Å; V194-V198 PolarHBondContact O-N 3.2Å
195D97.5Very high95.2Very high0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-60-38.4179.2-56.3-88000111.2F27 Y185 F186 P191 T192 A193 F199 F251F27-D195 HydrophobicContact CE2-CB 3.97Å; Y185-D195 VanDerWaalsContact CA-OD1 3.25Å; Y185-D195 WeakPolarHBondContact CA-OD1 3.45Å; Y185-D195 WeakPolarHBondContact CB-OD1 3.09Å; F186-D195 WeakPolarHBondContact CD2-OD1 3.09Å; F186-D195 PolarHBondContact N-OD1 2.83Å; P191-D195 HydrophobicContact CB-CB 4.29Å; T192-D195 PolarHBondContact N-OD2 3Å; T192-D195 PolarHBondContact O-N 3.38Å; T192-D195 PolarHBondContact OG1-OD2 2.84Å; A193-D195 VanDerWaalsContact C-N 3.32Å; A193-D195 PolarHBondContact O-N 3.34Å; D195-F199 WeakPolarHBondContact O-CB 3.49Å; D195-F199 PolarHBondContact O-N 2.95Å; D195-F251 HydrophobicContact CB-CE2 4.01Å; D195-F251 HydrophobicContact CB-CZ 3.94Å; D195-F251 WeakPolarHBondContact OD1-CE2 3.42Å
196A97.1Very high95.2Very high0 Ų013.5 Ų13.50%08%0.077CC..Hα-helixtrans-67-43.1178.300000111.2L20 C23 F27 T192 A193 V194 A200L20-A196 HydrophobicContact CD1-CB 3.77Å; C23-A196 HydrophobicContact CB-CB 3.9Å; F27-A196 HydrophobicContact CD2-CB 4.01Å; F27-A196 HydrophobicContact CE2-CB 3.76Å; T192-A196 PolarHBondContact O-N 2.84Å; A193-A196 WeakPolarHBondContact O-CB 3.49Å; A193-A196 PolarHBondContact O-N 3.45Å; A193-A196 VanDerWaalsContact O-N 3.07Å; V194-A196 PolarHBondContact O-N 3.47Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 3.35Å
197Y97.8Very high95.1Very high7 Ų713.2 Ų13.23%0.0278%0.076CC..Hα-helixtrans-61.4-52.6175.2-90.9-95.3000111.4L20 L64 I90 I93 E94 A193 V194 F199 A200 F201L20-Y197 HydrophobicContact CD1-CD1 4.45Å; L20-Y197 HydrophobicContact CD1-CD2 3.51Å; L20-Y197 HydrophobicContact CD1-CE2 3.83Å; L20-Y197 HydrophobicContact CD1-CG 3.87Å; L20-Y197 HydrophobicContact CD2-CD1 3.82Å; L20-Y197 HydrophobicContact CD2-CD2 4.04Å; L20-Y197 HydrophobicContact CD2-CE1 3.53Å; L20-Y197 HydrophobicContact CD2-CE2 3.78Å; L20-Y197 HydrophobicContact CD2-CG 4.08Å; L20-Y197 HydrophobicContact CG-CD2 4.44Å; L20-Y197 HydrophobicContact CG-CE2 4.39Å; L64-Y197 HydrophobicContact CD1-CE2 4.04Å; I90-Y197 HydrophobicContact CD1-CD2 4.38Å; I90-Y197 HydrophobicContact CD1-CE2 4.33Å; I90-Y197 HydrophobicContact CG1-CD2 4.04Å; I90-Y197 HydrophobicContact CG1-CE2 4.27Å; I90-Y197 HydrophobicContact CG1-CG 4.45Å; I90-Y197 HydrophobicContact CG2-CD1 4.31Å; I90-Y197 HydrophobicContact CG2-CD2 4.22Å; I90-Y197 HydrophobicContact CG2-CE1 3.92Å; I90-Y197 HydrophobicContact CG2-CE2 3.83Å; I90-Y197 HydrophobicContact CG2-CG 4.45Å; I93-Y197 HydrophobicContact CG2-CD1 4.08Å; E94-Y197 HydrophobicContact CG-CD1 4.18Å; E94-Y197 HydrophobicContact CG-CE1 3.51Å; E94-Y197 VanDerWaalsContact OE1-CE1 3.26Å; E94-Y197 WeakPolarHBondContact OE1-CE1 3.36Å; E94-Y197 PolarHBondContact OE1-OH 3.36Å; A193-Y197 VanDerWaalsContact O-CD2 3.31Å; A193-Y197 WeakPolarHBondContact O-CD2 3.37Å; A193-Y197 PolarHBondContact O-N 3.35Å; V194-Y197 PolarHBondContact O-N 2.65Å; Y197-F199 PolarHBondContact O-N 3.45Å; Y197-A200 PolarHBondContact O-N 2.92Å; Y197-F201 HydrophobicContact CD1-CD2 4.32Å; Y197-F201 AromaticContact CD1-CE2 3.84Å; Y197-F201 HydrophobicContact CD1-CE2 3.84Å; Y197-F201 HydrophobicContact CE1-CE2 4.35Å; Y197-F201 VanDerWaalsContact O-CD2 3.26Å; Y197-F201 WeakPolarHBondContact O-CD2 3.27Å; Y197-F201 PolarHBondContact O-N 3.27Å; Y197-F201 VanDerWaalsContact O-N 3.12Å
198V98.1Very high95.1Very high0 Ų013.1 Ų13.10%08%0.075CC..Hα-helixtrans-59.2-48.7-179.4175.40000110.7I93 L176 F186 V194 A200 I202 F251I93-V198 HydrophobicContact CD1-CG2 3.43Å; I93-V198 VanDerWaalsContact CD1-CG2 3.43Å; I93-V198 HydrophobicContact CG1-CG2 4.38Å; L176-V198 HydrophobicContact CD1-CG2 4.02Å; L176-V198 HydrophobicContact CD2-CG2 3.93Å; F186-V198 HydrophobicContact CD2-CG2 4.25Å; F186-V198 HydrophobicContact CE1-CG2 4.37Å; F186-V198 HydrophobicContact CE2-CB 3.86Å; F186-V198 HydrophobicContact CE2-CG1 3.77Å; F186-V198 HydrophobicContact CE2-CG2 3.69Å; F186-V198 HydrophobicContact CZ-CB 4.23Å; F186-V198 HydrophobicContact CZ-CG1 3.86Å; F186-V198 HydrophobicContact CZ-CG2 3.76Å; V194-V198 HydrophobicContact CG1-CG2 4.28Å; V194-V198 WeakPolarHBondContact O-CG2 3.16Å; V194-V198 PolarHBondContact O-N 3.2Å; V198-A200 PolarHBondContact O-N 3.07Å; V198-I202 HydrophobicContact CG1-CD1 3.52Å; V198-I202 HydrophobicContact CG1-CG1 4.42Å; V198-I202 VanDerWaalsContact O-CB 3.3Å; V198-I202 WeakPolarHBondContact O-CB 3.27Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.17Å; V198-I202 PolarHBondContact O-N 3.26Å; V198-F251 HydrophobicContact CB-CE1 4.19Å; V198-F251 HydrophobicContact CG1-CD1 4.35Å; V198-F251 HydrophobicContact CG1-CE1 3.8Å
199F97.9Very high95.4Very high0 Ų011.1 Ų11.10%05%0.054CC..Hα-helixtrans-59.8-47.4179.5-179.9-96.9000112.2L19 C23 D195 Y197 F201 I202 W203 F251 F252 I255 T256 F260L19-F199 HydrophobicContact CD1-CE1 4.28Å; L19-F199 HydrophobicContact CD2-CD1 4.45Å; L19-F199 HydrophobicContact CD2-CE1 4.33Å; L19-F199 HydrophobicContact CG-CE1 4.48Å; C23-F199 WeakPolarHBondContact SG-CD1 3.22Å; C23-F199 VanDerWaalsContact SG-CE1 3.51Å; D195-F199 WeakPolarHBondContact O-CB 3.49Å; D195-F199 PolarHBondContact O-N 2.95Å; Y197-F199 PolarHBondContact O-N 3.45Å; F199-F201 PolarHBondContact O-N 2.8Å; F199-I202 PolarHBondContact O-N 2.79Å; F199-W203 AromaticContact CE1-CE3 3.59Å; F199-W203 HydrophobicContact CE1-CE3 3.59Å; F199-W203 AromaticContact CE1-CZ3 3.88Å; F199-W203 HydrophobicContact CE1-CZ3 3.88Å; F199-W203 HydrophobicContact CE2-CE3 4.17Å; F199-W203 HydrophobicContact CE2-CZ3 4.39Å; F199-W203 AromaticContact CZ-CE3 3.41Å; F199-W203 HydrophobicContact CZ-CE3 3.41Å; F199-W203 VanDerWaalsContact CZ-CE3 3.41Å; F199-W203 AromaticContact CZ-CZ3 3.45Å; F199-W203 HydrophobicContact CZ-CZ3 3.45Å; F199-W203 VanDerWaalsContact CZ-CZ3 3.45Å; F199-W203 WeakPolarHBondContact O-CB 3.28Å; F199-W203 PolarHBondContact O-N 3.24Å; F199-F251 HydrophobicContact CB-CE1 4.24Å; F199-F251 HydrophobicContact CB-CZ 4.41Å; F199-F252 AromaticContact CD2-CD2 3.5Å; F199-F252 HydrophobicContact CD2-CD2 3.5Å; F199-F252 VanDerWaalsContact CD2-CD2 3.5Å; F199-F252 AromaticContact CD2-CE2 3.68Å; F199-F252 HydrophobicContact CD2-CE2 3.68Å; F199-F252 HydrophobicContact CD2-CG 4.3Å; F199-F252 AromaticContact CE2-CD2 3.69Å; F199-F252 HydrophobicContact CE2-CD2 3.69Å; F199-F252 AromaticContact CE2-CE2 3.58Å; F199-F252 HydrophobicContact CE2-CE2 3.58Å; F199-F252 HydrophobicContact CE2-CG 4.27Å; F199-F252 HydrophobicContact CE2-CZ 4.08Å; F199-F252 HydrophobicContact CG-CD2 4.39Å; F199-F252 HydrophobicContact CG-CE2 4.37Å; F199-F252 HydrophobicContact CZ-CE2 4.22Å; F199-I255 HydrophobicContact CB-CG2 4.48Å; F199-I255 HydrophobicContact CD1-CG2 4.24Å; F199-I255 HydrophobicContact CD2-CB 3.66Å; F199-I255 HydrophobicContact CD2-CG1 4.37Å; F199-I255 HydrophobicContact CD2-CG2 3.37Å; F199-I255 HydrophobicContact CE1-CG2 4.24Å; F199-I255 HydrophobicContact CE2-CB 3.72Å; F199-I255 HydrophobicContact CE2-CG2 3.4Å; F199-I255 HydrophobicContact CG-CB 4.47Å; F199-I255 HydrophobicContact CG-CG2 3.78Å; F199-I255 HydrophobicContact CZ-CG2 3.81Å; F199-T256 WeakPolarHBondContact CE2-OG1 3.06Å; F199-F260 HydrophobicContact CD1-CE2 4.35Å; F199-F260 AromaticContact CE1-CD2 3.67Å; F199-F260 HydrophobicContact CE1-CD2 3.67Å; F199-F260 AromaticContact CE1-CE2 3.56Å; F199-F260 HydrophobicContact CE1-CE2 3.56Å; F199-F260 HydrophobicContact CE1-CG 4.46Å; F199-F260 HydrophobicContact CE1-CZ 4.28Å; F199-F260 AromaticContact CZ-CD2 3.55Å; F199-F260 HydrophobicContact CZ-CD2 3.55Å; F199-F260 AromaticContact CZ-CE2 3.92Å; F199-F260 HydrophobicContact CZ-CE2 3.92Å; F199-F260 HydrophobicContact CZ-CG 4.3Å
200A97.3Very high95.4Very high0 Ų04.9 Ų4.90%02%0.022CC..Hα-helixtrans-66.3-38.2-174.500000113.3P16 L19 L20 A196 Y197 V198 P204P16-A200 WeakPolarHBondContact O-CB 3.42Å; L19-A200 HydrophobicContact CB-CB 4.14Å; L19-A200 HydrophobicContact CD2-CB 4.27Å; L19-A200 HydrophobicContact CG-CB 4.01Å; L20-A200 HydrophobicContact CB-CB 3.75Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 3.35Å; Y197-A200 PolarHBondContact O-N 2.92Å; V198-A200 PolarHBondContact O-N 3.07Å; A200-P204 VanDerWaalsContact O-CD 3.24Å; A200-P204 WeakPolarHBondContact O-CD 3.45Å
201F97.7Very high95.3Very high1 Ų15.6 Ų5.60%0.0043%0.028CC..Hα-helixtrans-82.2-25.2179.1-75.3-72.4000113.4P16 L20 I93 L97 A98 V101 Y197 F199P16-F201 HydrophobicContact CB-CD1 3.7Å; P16-F201 HydrophobicContact CB-CE1 3.74Å; P16-F201 HydrophobicContact CB-CG 4.37Å; P16-F201 HydrophobicContact CB-CZ 4.44Å; P16-F201 HydrophobicContact CG-CD1 4.17Å; P16-F201 HydrophobicContact CG-CE1 3.95Å; L20-F201 HydrophobicContact CD2-CE2 4.48Å; I93-F201 HydrophobicContact CG2-CD2 3.82Å; I93-F201 HydrophobicContact CG2-CE2 4.34Å; L97-F201 HydrophobicContact CD2-CB 3.91Å; L97-F201 HydrophobicContact CG-CB 4.03Å; A98-F201 HydrophobicContact CB-CD1 3.8Å; A98-F201 HydrophobicContact CB-CD2 4.37Å; A98-F201 HydrophobicContact CB-CE1 3.31Å; A98-F201 HydrophobicContact CB-CE2 3.98Å; A98-F201 HydrophobicContact CB-CG 4.32Å; A98-F201 HydrophobicContact CB-CZ 3.42Å; A98-F201 VanDerWaalsContact CB-CZ 3.42Å; V101-F201 HydrophobicContact CB-CD1 4.16Å; V101-F201 HydrophobicContact CG1-CD1 4.19Å; V101-F201 HydrophobicContact CG2-CB 4.29Å; V101-F201 VanDerWaalsContact CG2-O 3.29Å; V101-F201 WeakPolarHBondContact CG2-O 3.31Å; Y197-F201 HydrophobicContact CD1-CD2 4.32Å; Y197-F201 AromaticContact CD1-CE2 3.84Å; Y197-F201 HydrophobicContact CD1-CE2 3.84Å; Y197-F201 HydrophobicContact CE1-CE2 4.35Å; Y197-F201 VanDerWaalsContact O-CD2 3.26Å; Y197-F201 WeakPolarHBondContact O-CD2 3.27Å; Y197-F201 PolarHBondContact O-N 3.27Å; Y197-F201 VanDerWaalsContact O-N 3.12Å; F199-F201 PolarHBondContact O-N 2.8Å
202I97Very high95Very high1 Ų19.1 Ų9.11%0.0054%0.041CC..Hα-helixtrans-75.5-34.2172.5-75176.1000111.8V198 F199 L205 L206 L242 F252V198-I202 HydrophobicContact CG1-CD1 3.52Å; V198-I202 HydrophobicContact CG1-CG1 4.42Å; V198-I202 VanDerWaalsContact O-CB 3.3Å; V198-I202 WeakPolarHBondContact O-CB 3.27Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.17Å; V198-I202 PolarHBondContact O-N 3.26Å; F199-I202 PolarHBondContact O-N 2.79Å; I202-L205 VanDerWaalsContact O-CB 3.31Å; I202-L205 WeakPolarHBondContact O-CB 3.17Å; I202-L205 PolarHBondContact O-N 3.49Å; I202-L206 HydrophobicContact CG2-CD1 3.43Å; I202-L206 VanDerWaalsContact CG2-CD1 3.43Å; I202-L206 HydrophobicContact CG2-CG 3.8Å; I202-L206 PolarHBondContact O-N 2.92Å; I202-L206 VanDerWaalsContact O-N 3.17Å; I202-L242 HydrophobicContact CD1-CD1 3.91Å; I202-L242 HydrophobicContact CG1-CD1 4.26Å; I202-L242 HydrophobicContact CG1-CD2 4.46Å; I202-L242 HydrophobicContact CG2-CD1 4.48Å; I202-L242 HydrophobicContact CG2-CD2 3.74Å; I202-F252 HydrophobicContact CB-CD2 4.31Å; I202-F252 HydrophobicContact CG2-CD2 3.68Å; I202-F252 HydrophobicContact CG2-CE2 4.08Å; I202-F252 HydrophobicContact CG2-CG 4.28Å
203W96.3Very high94.5Very high1 Ų19.4 Ų9.40%0.0044%0.044CC..Hα-helixtrans-46.2-54.2-177.1178.9-82.4000115.7L13 L19 F199 L205 L206 M207 F252 T256 Y263 F267L13-W203 HydrophobicContact CB-CZ2 4.24Å; L13-W203 HydrophobicContact CD1-CZ2 4.39Å; L13-W203 PolarHBondContact O-NE1 2.92Å; L19-W203 HydrophobicContact CD2-CB 3.3Å; L19-W203 HydrophobicContact CD2-CD2 3.43Å; L19-W203 VanDerWaalsContact CD2-CD2 3.43Å; L19-W203 HydrophobicContact CD2-CE3 3.93Å; L19-W203 HydrophobicContact CD2-CG 3.16Å; F199-W203 AromaticContact CE1-CE3 3.59Å; F199-W203 HydrophobicContact CE1-CE3 3.59Å; F199-W203 AromaticContact CE1-CZ3 3.88Å; F199-W203 HydrophobicContact CE1-CZ3 3.88Å; F199-W203 HydrophobicContact CE2-CE3 4.17Å; F199-W203 HydrophobicContact CE2-CZ3 4.39Å; F199-W203 AromaticContact CZ-CE3 3.41Å; F199-W203 HydrophobicContact CZ-CE3 3.41Å; F199-W203 VanDerWaalsContact CZ-CE3 3.41Å; F199-W203 AromaticContact CZ-CZ3 3.45Å; F199-W203 HydrophobicContact CZ-CZ3 3.45Å; F199-W203 VanDerWaalsContact CZ-CZ3 3.45Å; F199-W203 WeakPolarHBondContact O-CB 3.28Å; F199-W203 PolarHBondContact O-N 3.24Å; W203-L205 VanDerWaalsContact C-N 3.25Å; W203-L205 PolarHBondContact O-N 3.31Å; W203-L206 PolarHBondContact O-N 3.42Å; W203-M207 HydrophobicContact CZ2-CE 3.9Å; W203-M207 WeakPolarHBondContact O-CB 3.3Å; W203-M207 PolarHBondContact O-N 3.28Å; W203-F252 HydrophobicContact CB-CE2 3.93Å; W203-F252 HydrophobicContact CB-CZ 4.21Å; W203-F252 HydrophobicContact CD2-CZ 4.13Å; W203-F252 AromaticContact CE3-CE2 3.89Å; W203-F252 HydrophobicContact CE3-CE2 3.89Å; W203-F252 AromaticContact CE3-CZ 3.51Å; W203-F252 HydrophobicContact CE3-CZ 3.51Å; W203-F252 HydrophobicContact CG-CZ 4.44Å; W203-F252 HydrophobicContact CZ3-CZ 4.22Å; W203-T256 HydrophobicContact CZ3-CG2 4.45Å; W203-Y263 HydrophobicContact CH2-CG 4.05Å; W203-Y263 HydrophobicContact CZ2-CG 4.41Å; W203-F267 AromaticContact CD2-CZ 3.8Å; W203-F267 HydrophobicContact CD2-CZ 3.8Å; W203-F267 AromaticContact CE2-CZ 3.88Å; W203-F267 HydrophobicContact CE3-CE2 4.15Å; W203-F267 AromaticContact CE3-CZ 3.7Å; W203-F267 HydrophobicContact CE3-CZ 3.7Å; W203-F267 AromaticContact CH2-CE2 3.68Å; W203-F267 HydrophobicContact CH2-CE2 3.68Å; W203-F267 AromaticContact CH2-CZ 3.78Å; W203-F267 HydrophobicContact CH2-CZ 3.78Å; W203-F267 HydrophobicContact CZ2-CE2 4.18Å; W203-F267 AromaticContact CZ2-CZ 3.88Å; W203-F267 HydrophobicContact CZ2-CZ 3.88Å; W203-F267 AromaticContact CZ3-CE2 3.65Å; W203-F267 HydrophobicContact CZ3-CE2 3.65Å; W203-F267 AromaticContact CZ3-CZ 3.67Å; W203-F267 HydrophobicContact CZ3-CZ 3.67Å
204P94.8Very high93.9Very high2 Ų216.5 Ų16.51%0.0138%0.081CC..Hα-helixtrans-62.8-31.1-179.822.7-33.8000113.3V101 L105 A200 Y208V101-P204 HydrophobicContact CG1-CG 3.55Å; L105-P204 HydrophobicContact CD1-CB 4.07Å; L105-P204 HydrophobicContact CD1-CG 4.34Å; L105-P204 HydrophobicContact CD2-CB 3.98Å; L105-P204 HydrophobicContact CG-CB 4.36Å; A200-P204 VanDerWaalsContact O-CD 3.24Å; A200-P204 WeakPolarHBondContact O-CD 3.45Å; P204-Y208 WeakPolarHBondContact O-CB 3.48Å; P204-Y208 PolarHBondContact O-N 3.16Å
205L95.9Very high93.1Very high0 Ų017.2 Ų17.20%09%0.086CC..Hα-helixtrans-66.5-47.8178-57.9-179.6000110.8V101 F104 I202 W203 Y208 E209 L238 I239 L242V101-L205 HydrophobicContact CG2-CD1 4.15Å; V101-L205 HydrophobicContact CG2-CD2 4.37Å; V101-L205 HydrophobicContact CG2-CG 4.29Å; F104-L205 HydrophobicContact CB-CD2 4.33Å; F104-L205 HydrophobicContact CD1-CD2 3.49Å; F104-L205 VanDerWaalsContact CD1-CD2 3.49Å; F104-L205 HydrophobicContact CD2-CD2 4.24Å; F104-L205 HydrophobicContact CE1-CD2 3.73Å; F104-L205 HydrophobicContact CE2-CD2 4.44Å; F104-L205 HydrophobicContact CG-CD2 3.76Å; F104-L205 HydrophobicContact CZ-CD2 4.19Å; I202-L205 VanDerWaalsContact O-CB 3.31Å; I202-L205 WeakPolarHBondContact O-CB 3.17Å; I202-L205 PolarHBondContact O-N 3.49Å; W203-L205 VanDerWaalsContact C-N 3.25Å; W203-L205 PolarHBondContact O-N 3.31Å; L205-Y208 PolarHBondContact O-N 2.93Å; L205-E209 PolarHBondContact O-N 3.36Å; L205-E209 VanDerWaalsContact O-N 3.09Å; L205-L238 HydrophobicContact CD1-CD2 4.01Å; L205-L238 HydrophobicContact CD1-CG 4.29Å; L205-L238 HydrophobicContact CD2-CD2 3.99Å; L205-I239 HydrophobicContact CB-CG1 4.22Å; L205-I239 WeakPolarHBondContact O-CD1 3.42Å; L205-L242 HydrophobicContact CB-CD2 4.28Å; L205-L242 HydrophobicContact CD1-CD2 4.27Å
206L94.8Very high92.5Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-72.8-32.5-180-69.2-179000112.5I202 W203 Y208 E209 S210 W217 L242 L243 I249 F252 F267I202-L206 HydrophobicContact CG2-CD1 3.43Å; I202-L206 VanDerWaalsContact CG2-CD1 3.43Å; I202-L206 HydrophobicContact CG2-CG 3.8Å; I202-L206 PolarHBondContact O-N 2.92Å; I202-L206 VanDerWaalsContact O-N 3.17Å; W203-L206 PolarHBondContact O-N 3.42Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; L206-E209 PolarHBondContact O-N 3.19Å; L206-S210 PolarHBondContact O-N 3.05Å; L206-S210 PolarHBondContact O-OG 2.95Å; L206-W217 HydrophobicContact CB-CH2 3.78Å; L206-W217 HydrophobicContact CB-CZ2 3.62Å; L206-W217 HydrophobicContact CD1-CH2 3.66Å; L206-W217 HydrophobicContact CD1-CZ2 4.3Å; L206-W217 HydrophobicContact CD1-CZ3 3.88Å; L206-W217 HydrophobicContact CD2-CD2 4.26Å; L206-W217 HydrophobicContact CD2-CE3 4.36Å; L206-W217 HydrophobicContact CD2-CH2 4.17Å; L206-W217 HydrophobicContact CD2-CZ2 4.09Å; L206-W217 HydrophobicContact CD2-CZ3 4.31Å; L206-W217 HydrophobicContact CG-CH2 4.07Å; L206-W217 HydrophobicContact CG-CZ2 4.2Å; L206-L242 HydrophobicContact CD1-CD2 4.47Å; L206-L242 HydrophobicContact CD2-CD2 3.76Å; L206-L242 HydrophobicContact CG-CD2 3.92Å; L206-L243 HydrophobicContact CD2-CD2 4.05Å; L206-I249 HydrophobicContact CD1-CD1 4.21Å; L206-I249 HydrophobicContact CD2-CD1 3.9Å; L206-F252 HydrophobicContact CB-CE1 4.35Å; L206-F252 HydrophobicContact CB-CZ 4.45Å; L206-F252 HydrophobicContact CD1-CB 4.08Å; L206-F252 HydrophobicContact CD1-CD1 3.37Å; L206-F252 HydrophobicContact CD1-CD2 3.89Å; L206-F252 HydrophobicContact CD1-CE1 3.67Å; L206-F252 HydrophobicContact CD1-CE2 4.16Å; L206-F252 HydrophobicContact CD1-CG 3.48Å; L206-F252 VanDerWaalsContact CD1-CG 3.48Å; L206-F252 HydrophobicContact CD1-CZ 4.05Å; L206-F267 HydrophobicContact CB-CE1 4.36Å
207M92.4Very high92.2Very high1 Ų121.6 Ų21.61%0.00511%0.11CC..Hα-helixtrans-63.1-43172.3-176.7176.2-73.200111.5L12 L13 F115 M119 W203 S210 Q211 F267L12-M207 HydrophobicContact CD1-CE 3.52Å; L12-M207 HydrophobicContact CD2-CE 3.9Å; L12-M207 HydrophobicContact CD2-SD 3.9Å; L12-M207 HydrophobicContact CG-CE 3.76Å; L12-M207 HydrophobicContact CG-SD 4.18Å; L13-M207 WeakPolarHBondContact O-CE 3.32Å; F115-M207 HydrophobicContact CE2-CG 3.96Å; F115-M207 HydrophobicContact CE2-SD 4.2Å; F115-M207 HydrophobicContact CZ-CB 4.19Å; F115-M207 HydrophobicContact CZ-CG 3.87Å; F115-M207 HydrophobicContact CZ-SD 3.95Å; M119-M207 HydrophobicContact CE-SD 4.21Å; W203-M207 HydrophobicContact CZ2-CE 3.9Å; W203-M207 WeakPolarHBondContact O-CB 3.3Å; W203-M207 PolarHBondContact O-N 3.28Å; M207-S210 PolarHBondContact O-N 2.87Å; M207-Q211 WeakPolarHBondContact O-CG 3.45Å; M207-Q211 PolarHBondContact O-N 3.25Å; M207-F267 HydrophobicContact CB-CE1 4.1Å
208Y92.5Very high91.8Very high2 Ų221.8 Ų21.81%0.00811%0.111CC..Hα-helixtrans-60.7-45.8174.3-179-92.6000111.5F104 F110 V111 F115 P204 L205 L206 S210 Q211 Y212 S235 I239F104-Y208 HydrophobicContact CE1-CG 4.24Å; F104-Y208 HydrophobicContact CE2-CD1 4.44Å; F104-Y208 AromaticContact CZ-CD1 3.75Å; F104-Y208 HydrophobicContact CZ-CD1 3.75Å; F104-Y208 HydrophobicContact CZ-CD2 4.03Å; F104-Y208 HydrophobicContact CZ-CE1 4.26Å; F104-Y208 AromaticContact CZ-CG 3.59Å; F104-Y208 HydrophobicContact CZ-CG 3.59Å; F110-Y208 WeakPolarHBondContact CD1-OH 2.98Å; F110-Y208 WeakPolarHBondContact CE1-OH 3.29Å; V111-Y208 HydrophobicContact CB-CE2 4.26Å; V111-Y208 HydrophobicContact CG1-CD2 4.02Å; V111-Y208 HydrophobicContact CG1-CE2 3.88Å; V111-Y208 HydrophobicContact CG2-CE2 4.07Å; F115-Y208 HydrophobicContact CB-CD2 3.57Å; F115-Y208 HydrophobicContact CB-CE2 3.76Å; F115-Y208 AromaticContact CD1-CD2 3.76Å; F115-Y208 HydrophobicContact CD1-CD2 3.76Å; F115-Y208 HydrophobicContact CD2-CD2 4.24Å; F115-Y208 HydrophobicContact CE1-CD2 4.44Å; F115-Y208 AromaticContact CG-CD2 3.62Å; F115-Y208 HydrophobicContact CG-CD2 3.62Å; F115-Y208 HydrophobicContact CG-CE2 4.33Å; P204-Y208 WeakPolarHBondContact O-CB 3.48Å; P204-Y208 PolarHBondContact O-N 3.16Å; L205-Y208 PolarHBondContact O-N 2.93Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; Y208-S210 PolarHBondContact O-N 2.96Å; Y208-Q211 PolarHBondContact O-N 3.06Å; Y208-Y212 AromaticContact CD2-CD2 3.73Å; Y208-Y212 HydrophobicContact CD2-CD2 3.73Å; Y208-Y212 HydrophobicContact CD2-CE2 4.34Å; Y208-Y212 AromaticContact CE2-CD2 3.75Å; Y208-Y212 HydrophobicContact CE2-CD2 3.75Å; Y208-Y212 HydrophobicContact CE2-CE2 4.4Å; Y208-Y212 HydrophobicContact CE2-CG 4.2Å; Y208-Y212 HydrophobicContact CG-CD2 4.29Å; Y208-Y212 PolarHBondContact O-N 2.81Å; Y208-S235 VanDerWaalsContact CD1-OG 3.28Å; Y208-S235 WeakPolarHBondContact CD1-OG 3.47Å; Y208-S235 WeakPolarHBondContact CE1-OG 3.25Å; Y208-I239 HydrophobicContact CD1-CD1 3.48Å; Y208-I239 VanDerWaalsContact CD1-CD1 3.48Å; Y208-I239 HydrophobicContact CE1-CD1 4.25Å; Y208-I239 HydrophobicContact CG-CD1 4.31Å
209E92.3Very high91.3Very high0 Ų026.7 Ų26.70%014%0.137CC..Hα-helixtrans-61.7-40.9178.2-175.158-159.400112.7L205 L206 Q211 G213 S215 S235 I239 L243L205-E209 PolarHBondContact O-N 3.36Å; L205-E209 VanDerWaalsContact O-N 3.09Å; L206-E209 PolarHBondContact O-N 3.19Å; E209-Q211 VanDerWaalsContact C-N 3.27Å; E209-Q211 PolarHBondContact O-N 2.84Å; E209-G213 WeakPolarHBondContact O-CA 3.3Å; E209-G213 PolarHBondContact O-N 2.95Å; E209-G213 WeakPolarHBondContact OE1-CA 3.28Å; E209-S215 WeakPolarHBondContact CG-OG 3.18Å; E209-S215 WeakPolarHBondContact OE1-CB 3.3Å; E209-S215 PolarHBondContact OE1-OG 3.49Å; E209-S235 WeakPolarHBondContact OE2-CB 2.98Å; E209-S235 PolarHBondContact OE2-N 2.9Å; E209-S235 PolarHBondContact OE2-OG 3.37Å; E209-I239 HydrophobicContact CB-CD1 4.33Å; E209-I239 HydrophobicContact CB-CG2 3.74Å; E209-I239 HydrophobicContact CG-CG2 3.85Å; E209-L243 HydrophobicContact CG-CD1 4.19Å
210S90.8Very high90.7Very high12 Ų1229 Ų298%0.08415%0.148CC..Hα-helixtrans-64.5-31.4177.2-71.20000113.1L206 M207 Y208 W217 F267L206-S210 PolarHBondContact O-N 3.05Å; L206-S210 PolarHBondContact O-OG 2.95Å; M207-S210 PolarHBondContact O-N 2.87Å; Y208-S210 PolarHBondContact O-N 2.96Å; S210-W217 WeakPolarHBondContact OG-CZ2 3.38Å; S210-W217 PolarHBondContact OG-NE1 3.44Å; S210-F267 WeakPolarHBondContact OG-CA 3.41Å; S210-F267 PolarHBondContact OG-O 3.06Å
211Q88.1Confident89.9Confident80 Ų8033.6 Ų33.637%0.37417%0.173SC..Hα-helixtrans-88.7-36.8-179-68.2-176.520.200113.7M207 Y208 E209M207-Q211 WeakPolarHBondContact O-CG 3.45Å; M207-Q211 PolarHBondContact O-N 3.25Å; Y208-Q211 PolarHBondContact O-N 3.06Å; E209-Q211 VanDerWaalsContact C-N 3.27Å; E209-Q211 PolarHBondContact O-N 2.84Å
212Y89.1Confident89Confident85 Ų8534.5 Ų34.533%0.33318%0.177SC..Hα-helixtrans-121.3-13.2-169.9-63.6-77.3000114.5K114 F115 Y208K114-Y212 HydrophobicContact CB-CE1 4.31Å; K114-Y212 PolarHBondContact O-OH 3.48Å; F115-Y212 HydrophobicContact CB-CD2 4.4Å; F115-Y212 HydrophobicContact CB-CE2 3.8Å; F115-Y212 HydrophobicContact CD2-CD2 4.44Å; F115-Y212 AromaticContact CD2-CE2 3.77Å; F115-Y212 HydrophobicContact CD2-CE2 3.77Å; F115-Y212 HydrophobicContact CG-CE2 4.19Å; Y208-Y212 AromaticContact CD2-CD2 3.73Å; Y208-Y212 HydrophobicContact CD2-CD2 3.73Å; Y208-Y212 HydrophobicContact CD2-CE2 4.34Å; Y208-Y212 AromaticContact CE2-CD2 3.75Å; Y208-Y212 HydrophobicContact CE2-CD2 3.75Å; Y208-Y212 HydrophobicContact CE2-CE2 4.4Å; Y208-Y212 HydrophobicContact CE2-CG 4.2Å; Y208-Y212 HydrophobicContact CG-CD2 4.29Å; Y208-Y212 PolarHBondContact O-N 2.81Å
213G86.1Confident87.8Confident6 Ų642.5 Ų42.56%0.06221%0.211CC..  trans-88.5161177.100000112.9E209 K269E209-G213 WeakPolarHBondContact O-CA 3.3Å; E209-G213 PolarHBondContact O-N 2.95Å; E209-G213 WeakPolarHBondContact OE1-CA 3.28Å; G213-K269 VanDerWaalsContact O-CE 3.22Å; G213-K269 WeakPolarHBondContact O-CE 3.43Å; G213-K269 PolarHBondContact O-NZ 3.37Å
214D81.6Confident85.8Confident148 Ų14845.1 Ų45.179%0.79123%0.23SC*.  trans-92.5-14.4178.1-69.7-40000112.6K269D214-K269 PolarHBondContact O-NZ 3.38Å
215S80.4Confident83.6Confident15 Ų1551.1 Ų51.111%0.10527%0.272CS..  trans-68.1141.3-179.672.80000112.8E209 W217 K269E209-S215 WeakPolarHBondContact CG-OG 3.18Å; E209-S215 WeakPolarHBondContact OE1-CB 3.3Å; E209-S215 PolarHBondContact OE1-OG 3.49Å; S215-W217 VanDerWaalsContact C-N 3.28Å; S215-K269 VanDerWaalsContact O-CE 3.32Å; S215-K269 WeakPolarHBondContact O-CE 3.39Å; S215-K269 PolarHBondContact O-NZ 3.42Å
216N85.4Confident81.2Confident90 Ų9056.5 Ų56.548%0.48131%0.309SS..  trans-97.943.2169.9-69.9-27.7000110.3W218 D219 K269N216-W218 PolarHBondContact O-N 2.72Å; N216-D219 PolarHBondContact O-N 2.99Å; N216-D219 VanDerWaalsContact O-N 3.07Å; N216-K269 WeakPolarHBondContact OD1-CD 3.39Å
217W89.5Confident79Confident2 Ų259 Ų591%0.00833%0.327CS..THydrogen-bonded Turntrans-55.2-29.7-172.368.3-92.1000113.5L206 S210 S215 Y222 L243 I249 F252 K253 F267L206-W217 HydrophobicContact CB-CH2 3.78Å; L206-W217 HydrophobicContact CB-CZ2 3.62Å; L206-W217 HydrophobicContact CD1-CH2 3.66Å; L206-W217 HydrophobicContact CD1-CZ2 4.3Å; L206-W217 HydrophobicContact CD1-CZ3 3.88Å; L206-W217 HydrophobicContact CD2-CD2 4.26Å; L206-W217 HydrophobicContact CD2-CE3 4.36Å; L206-W217 HydrophobicContact CD2-CH2 4.17Å; L206-W217 HydrophobicContact CD2-CZ2 4.09Å; L206-W217 HydrophobicContact CD2-CZ3 4.31Å; L206-W217 HydrophobicContact CG-CH2 4.07Å; L206-W217 HydrophobicContact CG-CZ2 4.2Å; S210-W217 WeakPolarHBondContact OG-CZ2 3.38Å; S210-W217 PolarHBondContact OG-NE1 3.44Å; S215-W217 VanDerWaalsContact C-N 3.28Å; W217-Y222 WeakPolarHBondContact O-CE2 3.1Å; W217-Y222 PolarHBondContact O-OH 3.07Å; W217-L243 HydrophobicContact CB-CD2 3.65Å; W217-L243 HydrophobicContact CD2-CD2 4.35Å; W217-L243 HydrophobicContact CG-CD2 3.86Å; W217-I249 HydrophobicContact CE3-CG2 3.57Å; W217-I249 HydrophobicContact CZ3-CG2 3.88Å; W217-F252 HydrophobicContact CH2-CD1 4.01Å; W217-F252 AromaticContact CH2-CE1 3.98Å; W217-F252 HydrophobicContact CH2-CE1 3.98Å; W217-F252 HydrophobicContact CZ3-CD1 4.25Å; W217-K253 HydrophobicContact CZ3-CG 4.28Å; W217-F267 HydrophobicContact CH2-CB 4.31Å; W217-F267 HydrophobicContact CH2-CD1 4.05Å; W217-F267 HydrophobicContact CH2-CG 4.28Å; W217-F267 HydrophobicContact CZ2-CB 4.11Å; W217-F267 AromaticContact CZ2-CD1 3.77Å; W217-F267 HydrophobicContact CZ2-CD1 3.77Å; W217-F267 HydrophobicContact CZ2-CG 4.22Å
218W90.7Very high76.9Confident12 Ų1263.6 Ų63.65%0.04536%0.359CS..THydrogen-bonded Turntrans-68.1-35.3-179.9-178.6-89.8000113N216 I220 F252 K253 T256 L257 T264 F267 R268N216-W218 PolarHBondContact O-N 2.72Å; W218-I220 VanDerWaalsContact C-N 3.35Å; W218-F252 HydrophobicContact CZ3-CE1 4.44Å; W218-K253 HydrophobicContact CE3-CG 4Å; W218-K253 HydrophobicContact CH2-CG 4.45Å; W218-K253 HydrophobicContact CZ3-CG 3.94Å; W218-K253 VanDerWaalsContact O-CE 3.25Å; W218-K253 WeakPolarHBondContact O-CE 3.32Å; W218-K253 PolarHBondContact O-NZ 3.48Å; W218-T256 HydrophobicContact CH2-CG2 3.65Å; W218-T256 HydrophobicContact CZ3-CG2 4.19Å; W218-L257 HydrophobicContact CZ2-CD2 4.27Å; W218-T264 HydrophobicContact CH2-CG2 4.28Å; W218-T264 HydrophobicContact CZ2-CG2 4.07Å; W218-F267 HydrophobicContact CD2-CB 3.63Å; W218-F267 HydrophobicContact CE3-CB 3.33Å; W218-F267 HydrophobicContact CE3-CD2 4.19Å; W218-F267 AromaticContact CE3-CG 3.9Å; W218-F267 HydrophobicContact CE3-CG 3.9Å; W218-F267 HydrophobicContact CG-CB 4.14Å; W218-F267 HydrophobicContact CH2-CB 4.47Å; W218-F267 HydrophobicContact CH2-CD2 4.16Å; W218-F267 HydrophobicContact CZ3-CB 3.79Å; W218-F267 AromaticContact CZ3-CD2 3.73Å; W218-F267 HydrophobicContact CZ3-CD2 3.73Å; W218-F267 AromaticContact CZ3-CG 3.91Å; W218-F267 HydrophobicContact CZ3-CG 3.91Å; W218-R268 HydrophobicContact CG-CG 4.41Å
219D86.8Confident74.7Confident102 Ų10269.8 Ų69.855%0.54540%0.397SS..THydrogen-bonded Turntrans-87.5-6.4-174.5-63.9-42.5000113.1N216N216-D219 PolarHBondContact O-N 2.99Å; N216-D219 VanDerWaalsContact O-N 3.07Å
220I84.8Confident72.7Confident48 Ų4872.9 Ų72.925%0.24642%0.419CS..  trans-73131.4178.5-64.3171.5000110.4W218 Y222 K253W218-I220 VanDerWaalsContact C-N 3.35Å; I220-Y222 HydrophobicContact CB-CE1 4.38Å; I220-Y222 HydrophobicContact CB-CE2 3.91Å; I220-Y222 HydrophobicContact CG2-CD1 4.11Å; I220-Y222 HydrophobicContact CG2-CD2 4.37Å; I220-Y222 HydrophobicContact CG2-CE1 3.8Å; I220-Y222 HydrophobicContact CG2-CE2 4.04Å; I220-Y222 HydrophobicContact CG2-CG 4.4Å; I220-Y222 VanDerWaalsContact O-CD2 3.24Å; I220-Y222 WeakPolarHBondContact O-CD2 3.41Å; I220-Y222 WeakPolarHBondContact O-CE2 3.28Å; I220-K253 PolarHBondContact O-NZ 2.94Å
221D81.7Confident71Confident97 Ų9779 Ų7952%0.51945%0.45SS..  trans-85.5112.1170.5-171.89.2000110.4K223D221-K223 VanDerWaalsContact C-N 3.31Å; D221-K223 WeakPolarHBondContact OD1-CB 3.12Å; D221-K223 WeakPolarHBondContact OD1-CG 3.34Å; D221-K223 PolarHBondContact OD1-N 2.76Å; D221-K223 VanDerWaalsContact OD1-N 3.15Å
222Y78.6Confident69.9Low20 Ų2076 Ų768%0.07844%0.435CS..THydrogen-bonded Turntrans-9011.7-178-62.4-81.8000113W217 I220 Q232 P246 I249 K253W217-Y222 WeakPolarHBondContact O-CE2 3.1Å; W217-Y222 PolarHBondContact O-OH 3.07Å; I220-Y222 HydrophobicContact CB-CE1 4.38Å; I220-Y222 HydrophobicContact CB-CE2 3.91Å; I220-Y222 HydrophobicContact CG2-CD1 4.11Å; I220-Y222 HydrophobicContact CG2-CD2 4.37Å; I220-Y222 HydrophobicContact CG2-CE1 3.8Å; I220-Y222 HydrophobicContact CG2-CE2 4.04Å; I220-Y222 HydrophobicContact CG2-CG 4.4Å; I220-Y222 VanDerWaalsContact O-CD2 3.24Å; I220-Y222 WeakPolarHBondContact O-CD2 3.41Å; I220-Y222 WeakPolarHBondContact O-CE2 3.28Å; Y222-Q232 PolarHBondContact OH-NE2 3.31Å; Y222-P246 HydrophobicContact CD1-CB 3.45Å; Y222-P246 VanDerWaalsContact CD1-CB 3.45Å; Y222-P246 HydrophobicContact CE1-CB 3.94Å; Y222-P246 HydrophobicContact CG-CB 4.42Å; Y222-I249 HydrophobicContact CD2-CG2 4.15Å; Y222-I249 HydrophobicContact CE1-CB 4.37Å; Y222-I249 HydrophobicContact CE1-CG2 4.36Å; Y222-I249 HydrophobicContact CE2-CB 4.11Å; Y222-I249 HydrophobicContact CE2-CG2 3.38Å; Y222-K253 HydrophobicContact CD2-CD 4.1Å; Y222-K253 HydrophobicContact CE2-CD 3.94Å
223K70.5Confident69.2Low169 Ų16976.4 Ų76.474%0.73545%0.451SS*.THydrogen-bonded Turntrans-78.3-23.8177-74.1-177.8177.5-177.80113.9D221 S225D221-K223 VanDerWaalsContact C-N 3.31Å; D221-K223 WeakPolarHBondContact OD1-CB 3.12Å; D221-K223 WeakPolarHBondContact OD1-CG 3.34Å; D221-K223 PolarHBondContact OD1-N 2.76Å; D221-K223 VanDerWaalsContact OD1-N 3.15Å; K223-S225 PolarHBondContact O-N 2.79Å
224S54.2Low68.8Low57 Ų5776.9 Ų76.940%0.39946%0.455SS..  trans-86.2110.5-178.746.30000109.9S226 S227S224-S226 PolarHBondContact O-N 3.39Å; S224-S227 PolarHBondContact O-N 2.84Å; S224-S227 PolarHBondContact O-OG 2.63Å
225S49.7Very low68.9Low128 Ų12872 Ų7290%0.89543%0.433SS*.THydrogen-bonded Turntrans-54.2-10.1169.8-47.50000113.6K223K223-S225 PolarHBondContact O-N 2.79Å
226S44.5Very low69.5Low112 Ų11272.2 Ų72.278%0.78343%0.433SS*.THydrogen-bonded Turntrans-108.17.6-179.7-44.20000114.2S224 S228S224-S226 PolarHBondContact O-N 3.39Å; S226-S228 PolarHBondContact O-N 3.15Å
227S49.8Very low69.9Low54 Ų5470.8 Ų70.838%0.37842%0.423SS..SBendtrans-70.585.3165.253.80000107.7S224 T229S224-S227 PolarHBondContact O-N 2.84Å; S224-S227 PolarHBondContact O-OG 2.63Å; S227-T229 PolarHBondContact O-N 3.44Å
228S47.8Very low70.2Confident96 Ų9670.7 Ų70.767%0.67142%0.422SS*.  trans-20.6122.6160.249.70000109.7S226 C230S226-S228 PolarHBondContact O-N 3.15Å; S228-C230 PolarHBondContact O-N 3.16Å
229T47.1Very low70.5Confident132 Ų13270.1 Ų70.181%0.8142%0.42SS*.  trans-38.882.6166.536.50000109.9S227 L231S227-T229 PolarHBondContact O-N 3.44Å; T229-L231 VanDerWaalsContact C-N 3.26Å; T229-L231 PolarHBondContact O-N 2.93Å
230C50.1Low70.8Confident66 Ų6666.7 Ų66.745%0.44640%0.403SS..  trans-62.7107.6163.646.60000101.5S228 Q232S228-C230 PolarHBondContact O-N 3.16Å; C230-Q232 HydrophobicContact CB-CG 4.25Å; C230-Q232 WeakPolarHBondContact O-CG 3.18Å; C230-Q232 PolarHBondContact O-N 2.78Å; C230-Q232 PolarHBondContact SG-NE2 2.83Å
231L54.9Low71.4Confident141 Ų14166.2 Ų66.274%0.73840%0.4SS*.  trans-61.481.6169.6-76.4161.5000105.3T229 S233T229-L231 VanDerWaalsContact C-N 3.26Å; T229-L231 PolarHBondContact O-N 2.93Å; L231-S233 PolarHBondContact O-N 2.83Å
232Q64.8Low72.1Confident15 Ų1561.6 Ų61.67%0.0738%0.375CS..  trans-70105.7178.8-67.9-174.42300105.3Y222 C230 G234 T240 L243Y222-Q232 PolarHBondContact OH-NE2 3.31Å; C230-Q232 HydrophobicContact CB-CG 4.25Å; C230-Q232 WeakPolarHBondContact O-CG 3.18Å; C230-Q232 PolarHBondContact O-N 2.78Å; C230-Q232 PolarHBondContact SG-NE2 2.83Å; Q232-G234 PolarHBondContact O-N 2.9Å; Q232-G234 VanDerWaalsContact O-N 3.17Å; Q232-T240 WeakPolarHBondContact O-CG2 2.96Å; Q232-L243 HydrophobicContact CB-CB 3.89Å; Q232-L243 HydrophobicContact CB-CD1 3.9Å
233S73.8Confident72.8Confident95 Ų9560.9 Ų60.966%0.66437%0.372SS*.  trans-74.2103.8168.1-67.70000106.9L231L231-S233 PolarHBondContact O-N 2.83Å
234G77.4Confident73.8Confident15 Ų1557.5 Ų57.516%0.15536%0.359CS..  trans-74.1158.4170.400000110.5Q232 H236 T240Q232-G234 PolarHBondContact O-N 2.9Å; Q232-G234 VanDerWaalsContact O-N 3.17Å; G234-H236 PolarHBondContact O-N 3.16Å; G234-H236 VanDerWaalsContact O-N 3.15Å; G234-T240 WeakPolarHBondContact CA-OG1 3.16Å; G234-T240 PolarHBondContact N-OG1 2.91Å; G234-T240 PolarHBondContact O-OG1 2.96Å
235S85.2Confident75.7Confident47 Ų4755.5 Ų55.533%0.32935%0.345SS..SBendtrans-60.4-18.4174.851.80000114.2Y208 E209Y208-S235 VanDerWaalsContact CD1-OG 3.28Å; Y208-S235 WeakPolarHBondContact CD1-OG 3.47Å; Y208-S235 WeakPolarHBondContact CE1-OG 3.25Å; E209-S235 WeakPolarHBondContact OE2-CB 2.98Å; E209-S235 PolarHBondContact OE2-N 2.9Å; E209-S235 PolarHBondContact OE2-OG 3.37Å
236H93Very high77.8Confident19 Ų1952.5 Ų52.59%0.08832%0.323CS..SBendtrans-141.9142.6178.7-177.3-88.8000109.9F104 D108 Y166 G234 L238 I239 T240F104-H236 AromaticContact CD2-CE1 3.89Å; F104-H236 AromaticContact CD2-ND1 3.94Å; F104-H236 AromaticContact CD2-NE2 3.96Å; F104-H236 HydrophobicContact CE2-CB 4Å; F104-H236 AromaticContact CE2-CD2 3.92Å; F104-H236 AromaticContact CE2-CG 3.71Å; F104-H236 AromaticContact CE2-ND1 3.94Å; D108-H236 IonicContact OD2-CD2 3.44Å; D108-H236 IonicContact OD2-NE2 3.63Å; Y166-H236 AromaticContact CE1-CE1 3.99Å; Y166-H236 AromaticContact CE2-CE1 3.58Å; Y166-H236 AromaticContact CE2-NE2 3.57Å; Y166-H236 AromaticContact CZ-CE1 3.54Å; Y166-H236 AromaticContact CZ-NE2 3.64Å; G234-H236 PolarHBondContact O-N 3.16Å; G234-H236 VanDerWaalsContact O-N 3.15Å; H236-L238 WeakPolarHBondContact ND1-CB 3.44Å; H236-L238 PolarHBondContact ND1-N 2.94Å; H236-L238 VanDerWaalsContact ND1-N 3.18Å; H236-L238 PolarHBondContact O-N 2.89Å; H236-I239 HydrophobicContact CB-CB 4.49Å; H236-I239 HydrophobicContact CB-CD1 3.88Å; H236-I239 HydrophobicContact CB-CG1 4.05Å; H236-I239 WeakPolarHBondContact O-CA 3.33Å; H236-I239 WeakPolarHBondContact O-CB 3.35Å; H236-I239 PolarHBondContact O-N 3.27Å; H236-T240 PolarHBondContact O-N 3.41Å; H236-T240 PolarHBondContact O-OG1 2.97Å
237H93.2Very high80.1Confident60 Ų6048.4 Ų48.428%0.27829%0.292SS..Hα-helixtrans-60.9-26.6-172.365.759.8000113.9E163 Y166 K170 H241E163-H237 IonicContact OE1-CD2 2.9Å; E163-H237 IonicContact OE1-NE2 2.63Å; Y166-H237 VanDerWaalsContact CB-CE1 3.49Å; Y166-H237 WeakPolarHBondContact CB-CE1 3.46Å; Y166-H237 AromaticContact CD2-CE1 3.12Å; Y166-H237 WeakPolarHBondContact CD2-CE1 3.44Å; Y166-H237 AromaticContact CD2-NE2 3.29Å; Y166-H237 VanDerWaalsContact CD2-NE2 3.29Å; Y166-H237 WeakPolarHBondContact CD2-NE2 3.38Å; Y166-H237 AromaticContact CE2-CE1 3.84Å; Y166-H237 AromaticContact CE2-NE2 3.7Å; Y166-H237 AromaticContact CG-CE1 3.43Å; Y166-H237 VanDerWaalsContact CG-CE1 3.43Å; K170-H237 WeakPolarHBondContact CE-ND1 3.22Å; K170-H237 PolarHBondContact NZ-ND1 3.34Å; H237-H241 PolarHBondContact O-N 2.9Å
238L96.2Very high82.3Confident0 Ų045.9 Ų45.90%027%0.274CS..Hα-helixtrans-71.3-38.9175.5-178.863.6000110.5Y166 A169 K170 I173 L205 H236 H241 L242Y166-L238 HydrophobicContact CD1-CB 4.49Å; Y166-L238 HydrophobicContact CD1-CD2 3.86Å; Y166-L238 HydrophobicContact CE1-CD2 4.12Å; A169-L238 HydrophobicContact CB-CD1 3.87Å; K170-L238 HydrophobicContact CG-CD1 4.08Å; I173-L238 HydrophobicContact CD1-CD1 3.79Å; L205-L238 HydrophobicContact CD1-CD2 4.01Å; L205-L238 HydrophobicContact CD1-CG 4.29Å; L205-L238 HydrophobicContact CD2-CD2 3.99Å; H236-L238 WeakPolarHBondContact ND1-CB 3.44Å; H236-L238 PolarHBondContact ND1-N 2.94Å; H236-L238 VanDerWaalsContact ND1-N 3.18Å; H236-L238 PolarHBondContact O-N 2.89Å; L238-H241 PolarHBondContact O-N 2.81Å; L238-L242 PolarHBondContact O-N 2.67Å
239I95.7Very high84.6Confident0 Ų041.3 Ų41.30%024%0.242CC..Hα-helixtrans-69-45.3176.6-57.7176.7000109.2F104 L205 Y208 E209 H236 H241 L242 L243F104-I239 HydrophobicContact CE2-CD1 4.27Å; F104-I239 HydrophobicContact CZ-CD1 4Å; L205-I239 HydrophobicContact CB-CG1 4.22Å; L205-I239 WeakPolarHBondContact O-CD1 3.42Å; Y208-I239 HydrophobicContact CD1-CD1 3.48Å; Y208-I239 VanDerWaalsContact CD1-CD1 3.48Å; Y208-I239 HydrophobicContact CE1-CD1 4.25Å; Y208-I239 HydrophobicContact CG-CD1 4.31Å; E209-I239 HydrophobicContact CB-CD1 4.33Å; E209-I239 HydrophobicContact CB-CG2 3.74Å; E209-I239 HydrophobicContact CG-CG2 3.85Å; H236-I239 HydrophobicContact CB-CB 4.49Å; H236-I239 HydrophobicContact CB-CD1 3.88Å; H236-I239 HydrophobicContact CB-CG1 4.05Å; H236-I239 WeakPolarHBondContact O-CA 3.33Å; H236-I239 WeakPolarHBondContact O-CB 3.35Å; H236-I239 PolarHBondContact O-N 3.27Å; I239-H241 PolarHBondContact O-N 3.26Å; I239-L242 CarbonylContact O-C 3.57Å; I239-L242 WeakPolarHBondContact O-CA 3.45Å; I239-L242 WeakPolarHBondContact O-CB 2.94Å; I239-L242 PolarHBondContact O-N 2.82Å; I239-L243 HydrophobicContact CG2-CD1 3.96Å; I239-L243 HydrophobicContact CG2-CG 4.1Å; I239-L243 WeakPolarHBondContact O-CG 3.28Å; I239-L243 PolarHBondContact O-N 3.46Å
240T94.5Very high86.9Confident30 Ų3037.4 Ų37.418%0.18421%0.213CC..Hα-helixtrans-50.1-47.4173.1-57.30000111.4Q232 G234 H236 L243 Q244Q232-T240 WeakPolarHBondContact O-CG2 2.96Å; G234-T240 WeakPolarHBondContact CA-OG1 3.16Å; G234-T240 PolarHBondContact N-OG1 2.91Å; G234-T240 PolarHBondContact O-OG1 2.96Å; H236-T240 PolarHBondContact O-N 3.41Å; H236-T240 PolarHBondContact O-OG1 2.97Å; T240-L243 PolarHBondContact O-N 3.39Å; T240-Q244 VanDerWaalsContact O-CG 3.28Å; T240-Q244 WeakPolarHBondContact O-CG 3.4Å; T240-Q244 PolarHBondContact O-N 3.47Å; T240-Q244 VanDerWaalsContact O-N 3.13Å
241H95.9Very high89.1Confident37 Ų3734.5 Ų34.517%0.17119%0.192CC..Hα-helixtrans-65.8-38.4177.5-176.2-84.8000113K170 T174 H237 L238 I239 Q244K170-H241 HydrophobicContact CD-CB 4.48Å; K170-H241 HydrophobicContact CG-CB 4.01Å; K170-H241 PolarHBondContact O-CE1 3.35Å; T174-H241 PolarHBondContact OG1-CE1 2.93Å; T174-H241 PolarHBondContact OG1-NE2 3.34Å; H237-H241 PolarHBondContact O-N 2.9Å; L238-H241 PolarHBondContact O-N 2.81Å; I239-H241 PolarHBondContact O-N 3.26Å; H241-Q244 WeakPolarHBondContact O-CB 3.38Å; H241-Q244 PolarHBondContact O-N 3.36Å
242L96.2Very high91Very high0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-64.2-43.2174.7174.865000112.1I173 I202 L205 L206 L238 I239 Q244 C245 L248 I249I173-L242 HydrophobicContact CD1-CB 4.42Å; I173-L242 HydrophobicContact CG2-CD1 4.13Å; I202-L242 HydrophobicContact CD1-CD1 3.91Å; I202-L242 HydrophobicContact CG1-CD1 4.26Å; I202-L242 HydrophobicContact CG1-CD2 4.46Å; I202-L242 HydrophobicContact CG2-CD1 4.48Å; I202-L242 HydrophobicContact CG2-CD2 3.74Å; L205-L242 HydrophobicContact CB-CD2 4.28Å; L205-L242 HydrophobicContact CD1-CD2 4.27Å; L206-L242 HydrophobicContact CD1-CD2 4.47Å; L206-L242 HydrophobicContact CD2-CD2 3.76Å; L206-L242 HydrophobicContact CG-CD2 3.92Å; L238-L242 PolarHBondContact O-N 2.67Å; I239-L242 CarbonylContact O-C 3.57Å; I239-L242 WeakPolarHBondContact O-CA 3.45Å; I239-L242 WeakPolarHBondContact O-CB 2.94Å; I239-L242 PolarHBondContact O-N 2.82Å; L242-Q244 PolarHBondContact O-N 2.93Å; L242-C245 WeakPolarHBondContact O-CB 3.37Å; L242-C245 PolarHBondContact O-N 3.09Å; L242-L248 HydrophobicContact CD1-CB 4.38Å; L242-L248 HydrophobicContact CD1-CD1 4.22Å; L242-I249 HydrophobicContact CD1-CD1 4.41Å; L242-I249 HydrophobicContact CG-CD1 4Å
243L93.6Very high92.4Very high5 Ų528.5 Ų28.53%0.02616%0.16CC..Hα-helixtrans-66.3-25.8178.7-66176.1000112.5L206 E209 W217 Q232 I239 T240 C245 I249L206-L243 HydrophobicContact CD2-CD2 4.05Å; E209-L243 HydrophobicContact CG-CD1 4.19Å; W217-L243 HydrophobicContact CB-CD2 3.65Å; W217-L243 HydrophobicContact CD2-CD2 4.35Å; W217-L243 HydrophobicContact CG-CD2 3.86Å; Q232-L243 HydrophobicContact CB-CB 3.89Å; Q232-L243 HydrophobicContact CB-CD1 3.9Å; I239-L243 HydrophobicContact CG2-CD1 3.96Å; I239-L243 HydrophobicContact CG2-CG 4.1Å; I239-L243 WeakPolarHBondContact O-CG 3.28Å; I239-L243 PolarHBondContact O-N 3.46Å; T240-L243 PolarHBondContact O-N 3.39Å; L243-C245 PolarHBondContact O-N 3.42Å; L243-I249 HydrophobicContact CD2-CD1 3.96Å; L243-I249 HydrophobicContact CD2-CG1 4.46Å
244Q92.9Very high93.4Very high98 Ų9827.4 Ų27.446%0.45815%0.147SC..THydrogen-bonded Turntrans-70.1-7.7171.2-71.6169.1-12.800113.4T240 H241 L242 P246T240-Q244 VanDerWaalsContact O-CG 3.28Å; T240-Q244 WeakPolarHBondContact O-CG 3.4Å; T240-Q244 PolarHBondContact O-N 3.47Å; T240-Q244 VanDerWaalsContact O-N 3.13Å; H241-Q244 WeakPolarHBondContact O-CB 3.38Å; H241-Q244 PolarHBondContact O-N 3.36Å; L242-Q244 PolarHBondContact O-N 2.93Å; Q244-P246 WeakPolarHBondContact O-CD 3.09Å
245C93.8Very high94.3Very high16 Ų1626.8 Ų26.811%0.10814%0.14CC..  trans-106.181.7175.8-64.50000110.8A177 L242 L243 N247 L248 I249A177-C245 HydrophobicContact CB-CB 3.98Å; L242-C245 WeakPolarHBondContact O-CB 3.37Å; L242-C245 PolarHBondContact O-N 3.09Å; L243-C245 PolarHBondContact O-N 3.42Å; C245-N247 VanDerWaalsContact C-N 3.28Å; C245-N247 PolarHBondContact O-N 3.32Å; C245-L248 HydrophobicContact CB-CB 4.22Å; C245-L248 HydrophobicContact CB-CD1 3.95Å; C245-L248 HydrophobicContact CB-CG 4.24Å; C245-L248 PolarHBondContact O-N 3.3Å; C245-L248 VanDerWaalsContact O-N 3.15Å; C245-I249 PolarHBondContact O-N 2.88Å
246P92.8Very high94.7Very high65 Ų6524.5 Ų24.542%0.42212%0.124SC..Hα-helixtrans-62.1-31.5-171.123.8-35000113.9Y222 Q244 I249 R250Y222-P246 HydrophobicContact CD1-CB 3.45Å; Y222-P246 VanDerWaalsContact CD1-CB 3.45Å; Y222-P246 HydrophobicContact CE1-CB 3.94Å; Y222-P246 HydrophobicContact CG-CB 4.42Å; Q244-P246 WeakPolarHBondContact O-CD 3.09Å; P246-I249 PolarHBondContact O-N 2.93Å; P246-R250 WeakPolarHBondContact O-CB 2.97Å; P246-R250 PolarHBondContact O-N 3.22Å
247N94.3Very high94.8Very high25 Ų2527.4 Ų27.413%0.13414%0.14CC..Hα-helixtrans-68.2-36.8178.163.7-20.7000112.7A177 L180 G181 C245 R250 F251A177-N247 PolarHBondContact O-ND2 3.45Å; L180-N247 HydrophobicContact CD2-CB 4.45Å; L180-N247 WeakPolarHBondContact CD2-O 3.31Å; G181-N247 WeakPolarHBondContact O-CB 3.36Å; G181-N247 PolarHBondContact O-ND2 3.34Å; C245-N247 VanDerWaalsContact C-N 3.28Å; C245-N247 PolarHBondContact O-N 3.32Å; N247-R250 WeakPolarHBondContact O-CB 3.39Å; N247-R250 PolarHBondContact O-N 3.15Å; N247-F251 WeakPolarHBondContact O-CB 3.04Å; N247-F251 PolarHBondContact O-N 3.11Å
248L96Very high94.9Very high1 Ų131 Ų311%0.00516%0.155CC..Hα-helixtrans-66.8-38.7172.3-71.7179.5000111.8I173 L176 A177 L180 F186 L242 C245 F251 F252I173-L248 HydrophobicContact CG2-CD1 3.73Å; L176-L248 HydrophobicContact CB-CD1 4.45Å; L176-L248 HydrophobicContact CB-CD2 4.28Å; A177-L248 HydrophobicContact CB-CD1 3.84Å; A177-L248 HydrophobicContact CB-CG 3.94Å; L180-L248 HydrophobicContact CD2-CD2 3.9Å; F186-L248 HydrophobicContact CZ-CD2 3.76Å; L242-L248 HydrophobicContact CD1-CB 4.38Å; L242-L248 HydrophobicContact CD1-CD1 4.22Å; C245-L248 HydrophobicContact CB-CB 4.22Å; C245-L248 HydrophobicContact CB-CD1 3.95Å; C245-L248 HydrophobicContact CB-CG 4.24Å; C245-L248 PolarHBondContact O-N 3.3Å; C245-L248 VanDerWaalsContact O-N 3.15Å; L248-F251 WeakPolarHBondContact O-CB 3.24Å; L248-F251 PolarHBondContact O-N 2.8Å; L248-F252 WeakPolarHBondContact O-CB 3.3Å; L248-F252 PolarHBondContact O-N 3.19Å
249I95.3Very high94.8Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-65.2-42.6174.6-56.4-56.1000110.8L206 W217 Y222 L242 L243 C245 P246 F251 F252 K253L206-I249 HydrophobicContact CD1-CD1 4.21Å; L206-I249 HydrophobicContact CD2-CD1 3.9Å; W217-I249 HydrophobicContact CE3-CG2 3.57Å; W217-I249 HydrophobicContact CZ3-CG2 3.88Å; Y222-I249 HydrophobicContact CD2-CG2 4.15Å; Y222-I249 HydrophobicContact CE1-CB 4.37Å; Y222-I249 HydrophobicContact CE1-CG2 4.36Å; Y222-I249 HydrophobicContact CE2-CB 4.11Å; Y222-I249 HydrophobicContact CE2-CG2 3.38Å; L242-I249 HydrophobicContact CD1-CD1 4.41Å; L242-I249 HydrophobicContact CG-CD1 4Å; L243-I249 HydrophobicContact CD2-CD1 3.96Å; L243-I249 HydrophobicContact CD2-CG1 4.46Å; C245-I249 PolarHBondContact O-N 2.88Å; P246-I249 PolarHBondContact O-N 2.93Å; I249-F251 PolarHBondContact O-N 2.61Å; I249-F252 PolarHBondContact O-N 3.34Å; I249-K253 HydrophobicContact CG2-CD 4.26Å; I249-K253 WeakPolarHBondContact O-CB 3.19Å; I249-K253 WeakPolarHBondContact O-CG 3.47Å; I249-K253 PolarHBondContact O-N 3.46Å
250R94.7Very high94.6Very high51 Ų5133.7 Ų33.719%0.19217%0.165CC..Hα-helixtrans-58.3-46.9173.6-175.2177.270.9-1714.7111.3E182 P246 N247 K253 N254E182-R250 PolarHBondContact O-NH2 3.43Å; E182-R250 IonicContact OE2-CZ 3.32Å; E182-R250 VanDerWaalsContact OE2-CZ 3.32Å; E182-R250 IonicContact OE2-NH1 2.9Å; E182-R250 PolarHBondContact OE2-NH1 2.88Å; E182-R250 IonicContact OE2-NH2 2.76Å; E182-R250 PolarHBondContact OE2-NH2 2.99Å; P246-R250 WeakPolarHBondContact O-CB 2.97Å; P246-R250 PolarHBondContact O-N 3.22Å; N247-R250 WeakPolarHBondContact O-CB 3.39Å; N247-R250 PolarHBondContact O-N 3.15Å; R250-K253 PolarHBondContact O-N 2.63Å; R250-N254 WeakPolarHBondContact O-CB 3.27Å; R250-N254 PolarHBondContact O-N 2.9Å; R250-N254 PolarHBondContact O-ND2 2.97Å; R250-N254 PolarHBondContact O-OD1 3.46Å
251F95.8Very high94.4Very high4 Ų438.5 Ų38.52%0.01819%0.185CC..Hα-helixtrans-55.4-52.7173.6161.3-95.3000111.4L180 T184 F186 D195 V198 F199 N247 L248 I249 K253 N254 I255L180-F251 HydrophobicContact CD1-CD2 4.44Å; L180-F251 HydrophobicContact CD2-CB 3.61Å; L180-F251 HydrophobicContact CD2-CG 4.2Å; T184-F251 WeakPolarHBondContact O-CD2 3.31Å; F186-F251 HydrophobicContact CD2-CE2 4.2Å; F186-F251 HydrophobicContact CD2-CZ 4.31Å; F186-F251 HydrophobicContact CE2-CD1 4.38Å; F186-F251 HydrophobicContact CE2-CD2 4.36Å; F186-F251 HydrophobicContact CE2-CE1 4.13Å; F186-F251 HydrophobicContact CE2-CE2 4.1Å; F186-F251 AromaticContact CE2-CZ 3.98Å; F186-F251 HydrophobicContact CE2-CZ 3.98Å; D195-F251 HydrophobicContact CB-CE2 4.01Å; D195-F251 HydrophobicContact CB-CZ 3.94Å; D195-F251 WeakPolarHBondContact OD1-CE2 3.42Å; V198-F251 HydrophobicContact CB-CE1 4.19Å; V198-F251 HydrophobicContact CG1-CD1 4.35Å; V198-F251 HydrophobicContact CG1-CE1 3.8Å; F199-F251 HydrophobicContact CB-CE1 4.24Å; F199-F251 HydrophobicContact CB-CZ 4.41Å; N247-F251 WeakPolarHBondContact O-CB 3.04Å; N247-F251 PolarHBondContact O-N 3.11Å; L248-F251 WeakPolarHBondContact O-CB 3.24Å; L248-F251 PolarHBondContact O-N 2.8Å; I249-F251 PolarHBondContact O-N 2.61Å; F251-K253 VanDerWaalsContact C-N 3.33Å; F251-K253 PolarHBondContact O-N 2.93Å; F251-N254 PolarHBondContact O-N 2.93Å; F251-N254 VanDerWaalsContact O-N 3.15Å; F251-I255 HydrophobicContact CD2-CG1 4.09Å; F251-I255 HydrophobicContact CE1-CG1 4.36Å; F251-I255 HydrophobicContact CE2-CD1 4.02Å; F251-I255 HydrophobicContact CE2-CG1 3.68Å; F251-I255 HydrophobicContact CZ-CD1 4.44Å; F251-I255 HydrophobicContact CZ-CG1 3.82Å; F251-I255 WeakPolarHBondContact O-CG1 3.05Å; F251-I255 PolarHBondContact O-N 3.31Å
252F96.3Very high94Very high0 Ų043.2 Ų43.20%021%0.206CC..Hα-helixtrans-58.6-44.4-179.7-175.8-90.6000112.2F199 I202 W203 L206 W217 W218 L248 I249 T256 F267F199-F252 AromaticContact CD2-CD2 3.5Å; F199-F252 HydrophobicContact CD2-CD2 3.5Å; F199-F252 VanDerWaalsContact CD2-CD2 3.5Å; F199-F252 AromaticContact CD2-CE2 3.68Å; F199-F252 HydrophobicContact CD2-CE2 3.68Å; F199-F252 HydrophobicContact CD2-CG 4.3Å; F199-F252 AromaticContact CE2-CD2 3.69Å; F199-F252 HydrophobicContact CE2-CD2 3.69Å; F199-F252 AromaticContact CE2-CE2 3.58Å; F199-F252 HydrophobicContact CE2-CE2 3.58Å; F199-F252 HydrophobicContact CE2-CG 4.27Å; F199-F252 HydrophobicContact CE2-CZ 4.08Å; F199-F252 HydrophobicContact CG-CD2 4.39Å; F199-F252 HydrophobicContact CG-CE2 4.37Å; F199-F252 HydrophobicContact CZ-CE2 4.22Å; I202-F252 HydrophobicContact CB-CD2 4.31Å; I202-F252 HydrophobicContact CG2-CD2 3.68Å; I202-F252 HydrophobicContact CG2-CE2 4.08Å; I202-F252 HydrophobicContact CG2-CG 4.28Å; W203-F252 HydrophobicContact CB-CE2 3.93Å; W203-F252 HydrophobicContact CB-CZ 4.21Å; W203-F252 HydrophobicContact CD2-CZ 4.13Å; W203-F252 AromaticContact CE3-CE2 3.89Å; W203-F252 HydrophobicContact CE3-CE2 3.89Å; W203-F252 AromaticContact CE3-CZ 3.51Å; W203-F252 HydrophobicContact CE3-CZ 3.51Å; W203-F252 HydrophobicContact CG-CZ 4.44Å; W203-F252 HydrophobicContact CZ3-CZ 4.22Å; L206-F252 HydrophobicContact CB-CE1 4.35Å; L206-F252 HydrophobicContact CB-CZ 4.45Å; L206-F252 HydrophobicContact CD1-CB 4.08Å; L206-F252 HydrophobicContact CD1-CD1 3.37Å; L206-F252 HydrophobicContact CD1-CD2 3.89Å; L206-F252 HydrophobicContact CD1-CE1 3.67Å; L206-F252 HydrophobicContact CD1-CE2 4.16Å; L206-F252 HydrophobicContact CD1-CG 3.48Å; L206-F252 VanDerWaalsContact CD1-CG 3.48Å; L206-F252 HydrophobicContact CD1-CZ 4.05Å; W217-F252 HydrophobicContact CH2-CD1 4.01Å; W217-F252 AromaticContact CH2-CE1 3.98Å; W217-F252 HydrophobicContact CH2-CE1 3.98Å; W217-F252 HydrophobicContact CZ3-CD1 4.25Å; W218-F252 HydrophobicContact CZ3-CE1 4.44Å; L248-F252 WeakPolarHBondContact O-CB 3.3Å; L248-F252 PolarHBondContact O-N 3.19Å; I249-F252 PolarHBondContact O-N 3.34Å; F252-T256 WeakPolarHBondContact CE1-OG1 3.3Å; F252-T256 WeakPolarHBondContact O-CB 3.29Å; F252-T256 PolarHBondContact O-N 2.91Å; F252-T256 PolarHBondContact O-OG1 3.02Å; F252-F267 HydrophobicContact CE1-CD1 4.45Å; F252-F267 HydrophobicContact CE1-CD2 4.46Å; F252-F267 AromaticContact CE1-CE1 4Å; F252-F267 HydrophobicContact CE1-CE1 4Å; F252-F267 HydrophobicContact CE1-CE2 4.02Å; F252-F267 AromaticContact CE1-CZ 3.77Å; F252-F267 HydrophobicContact CE1-CZ 3.77Å; F252-F267 HydrophobicContact CZ-CE1 4.02Å; F252-F267 HydrophobicContact CZ-CE2 4.19Å; F252-F267 AromaticContact CZ-CZ 3.63Å; F252-F267 HydrophobicContact CZ-CZ 3.63Å
253K94.5Very high93.7Very high30 Ų3044.2 Ų44.213%0.1321%0.21CC..Hα-helixtrans-60.2-47.1175.6-76.3178.759.3168.10111.6W217 W218 I220 Y222 I249 R250 F251 T256 L257W217-K253 HydrophobicContact CZ3-CG 4.28Å; W218-K253 HydrophobicContact CE3-CG 4Å; W218-K253 HydrophobicContact CH2-CG 4.45Å; W218-K253 HydrophobicContact CZ3-CG 3.94Å; W218-K253 VanDerWaalsContact O-CE 3.25Å; W218-K253 WeakPolarHBondContact O-CE 3.32Å; W218-K253 PolarHBondContact O-NZ 3.48Å; I220-K253 PolarHBondContact O-NZ 2.94Å; Y222-K253 HydrophobicContact CD2-CD 4.1Å; Y222-K253 HydrophobicContact CE2-CD 3.94Å; I249-K253 HydrophobicContact CG2-CD 4.26Å; I249-K253 WeakPolarHBondContact O-CB 3.19Å; I249-K253 WeakPolarHBondContact O-CG 3.47Å; I249-K253 PolarHBondContact O-N 3.46Å; R250-K253 PolarHBondContact O-N 2.63Å; F251-K253 VanDerWaalsContact C-N 3.33Å; F251-K253 PolarHBondContact O-N 2.93Å; K253-T256 PolarHBondContact O-N 3.05Å; K253-L257 WeakPolarHBondContact O-CB 3.22Å; K253-L257 VanDerWaalsContact O-CG 3.27Å; K253-L257 WeakPolarHBondContact O-CG 3.39Å; K253-L257 PolarHBondContact O-N 3.37Å
254N94.5Very high93.4Very high72 Ų7244.3 Ų44.339%0.38521%0.21SC..Hα-helixtrans-61.9-46-179.4-71.9-12.5000111.9R250 F251 L257 K258R250-N254 WeakPolarHBondContact O-CB 3.27Å; R250-N254 PolarHBondContact O-N 2.9Å; R250-N254 PolarHBondContact O-ND2 2.97Å; R250-N254 PolarHBondContact O-OD1 3.46Å; F251-N254 PolarHBondContact O-N 2.93Å; F251-N254 VanDerWaalsContact O-N 3.15Å; N254-L257 PolarHBondContact O-N 3.43Å; N254-K258 VanDerWaalsContact O-CB 3.25Å; N254-K258 WeakPolarHBondContact O-CB 3.35Å; N254-K258 PolarHBondContact O-N 3.19Å
255I95.7Very high93.2Very high2 Ų247 Ų471%0.0122%0.22CC..Hα-helixtrans-62.6-45.2176-63.1-62.4000110.7F27 Y185 F199 F251 L257 K258 Y259 F260F27-I255 HydrophobicContact CE1-CD1 4.37Å; F27-I255 HydrophobicContact CE1-CG2 3.81Å; F27-I255 HydrophobicContact CZ-CD1 4.07Å; F27-I255 HydrophobicContact CZ-CG2 3.7Å; Y185-I255 HydrophobicContact CD1-CD1 4.22Å; Y185-I255 HydrophobicContact CE1-CD1 3.66Å; F199-I255 HydrophobicContact CB-CG2 4.48Å; F199-I255 HydrophobicContact CD1-CG2 4.24Å; F199-I255 HydrophobicContact CD2-CB 3.66Å; F199-I255 HydrophobicContact CD2-CG1 4.37Å; F199-I255 HydrophobicContact CD2-CG2 3.37Å; F199-I255 HydrophobicContact CE1-CG2 4.24Å; F199-I255 HydrophobicContact CE2-CB 3.72Å; F199-I255 HydrophobicContact CE2-CG2 3.4Å; F199-I255 HydrophobicContact CG-CB 4.47Å; F199-I255 HydrophobicContact CG-CG2 3.78Å; F199-I255 HydrophobicContact CZ-CG2 3.81Å; F251-I255 HydrophobicContact CD2-CG1 4.09Å; F251-I255 HydrophobicContact CE1-CG1 4.36Å; F251-I255 HydrophobicContact CE2-CD1 4.02Å; F251-I255 HydrophobicContact CE2-CG1 3.68Å; F251-I255 HydrophobicContact CZ-CD1 4.44Å; F251-I255 HydrophobicContact CZ-CG1 3.82Å; F251-I255 WeakPolarHBondContact O-CG1 3.05Å; F251-I255 PolarHBondContact O-N 3.31Å; I255-L257 PolarHBondContact O-N 3.47Å; I255-K258 PolarHBondContact O-N 2.58Å; I255-Y259 HydrophobicContact CD1-CD2 4.37Å; I255-Y259 HydrophobicContact CD1-CE2 4.23Å; I255-Y259 HydrophobicContact CG2-CD2 4.16Å; I255-Y259 PolarHBondContact O-N 3.49Å; I255-F260 HydrophobicContact CG2-CD2 4.4Å; I255-F260 HydrophobicContact CG2-CE2 4.41Å
256T94.7Very high92.8Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-60.8-46.3179.7-56.30000111.3F199 W203 W218 F252 K253 F260 H261 T264 F267F199-T256 WeakPolarHBondContact CE2-OG1 3.06Å; W203-T256 HydrophobicContact CZ3-CG2 4.45Å; W218-T256 HydrophobicContact CH2-CG2 3.65Å; W218-T256 HydrophobicContact CZ3-CG2 4.19Å; F252-T256 WeakPolarHBondContact CE1-OG1 3.3Å; F252-T256 WeakPolarHBondContact O-CB 3.29Å; F252-T256 PolarHBondContact O-N 2.91Å; F252-T256 PolarHBondContact O-OG1 3.02Å; K253-T256 PolarHBondContact O-N 3.05Å; T256-F260 HydrophobicContact CG2-CB 4.32Å; T256-F260 CarbonylContact O-C 3.54Å; T256-F260 WeakPolarHBondContact O-CA 3.44Å; T256-F260 PolarHBondContact O-N 3.07Å; T256-H261 PolarHBondContact O-N 3.05Å; T256-H261 VanDerWaalsContact O-N 3.15Å; T256-T264 HydrophobicContact CG2-CG2 3.96Å; T256-F267 HydrophobicContact CG2-CD2 4.11Å; T256-F267 HydrophobicContact CG2-CE2 3.93Å
257L94.4Very high92.6Very high80 Ų8045.2 Ų45.242%0.41921%0.209SC..Hα-helixtrans-66.4-39179.9-71169.7000112.3W218 K253 N254 I255 T264W218-L257 HydrophobicContact CZ2-CD2 4.27Å; K253-L257 WeakPolarHBondContact O-CB 3.22Å; K253-L257 VanDerWaalsContact O-CG 3.27Å; K253-L257 WeakPolarHBondContact O-CG 3.39Å; K253-L257 PolarHBondContact O-N 3.37Å; N254-L257 PolarHBondContact O-N 3.43Å; I255-L257 PolarHBondContact O-N 3.47Å; L257-T264 HydrophobicContact CD2-CG2 3.81Å
258K94.9Very high92.1Very high135 Ų13550.4 Ų50.459%0.58723%0.227SC*.Hα-helixtrans-77.6-41.4-176.3-173.3171.2176.2-178.30113.2Y185 N254 I255Y185-K258 PolarHBondContact OH-NZ 3.26Å; N254-K258 VanDerWaalsContact O-CB 3.25Å; N254-K258 WeakPolarHBondContact O-CB 3.35Å; N254-K258 PolarHBondContact O-N 3.19Å; I255-K258 PolarHBondContact O-N 2.58Å
259Y93.4Very high90.9Very high52 Ų5253.7 Ų53.720%0.20424%0.241CC..Hα-helixtrans-113.1-23.1-171.2-62.6-82.2000114.3F27 P191 I255F27-Y259 AromaticContact CD1-CD1 3.84Å; F27-Y259 HydrophobicContact CD1-CD1 3.84Å; F27-Y259 AromaticContact CD1-CD2 3.91Å; F27-Y259 HydrophobicContact CD1-CD2 3.91Å; F27-Y259 AromaticContact CD1-CE1 3.88Å; F27-Y259 HydrophobicContact CD1-CE1 3.88Å; F27-Y259 AromaticContact CD1-CE2 3.95Å; F27-Y259 HydrophobicContact CD1-CE2 3.95Å; F27-Y259 AromaticContact CD1-CG 3.86Å; F27-Y259 HydrophobicContact CD1-CG 3.86Å; F27-Y259 AromaticContact CD1-CZ 3.95Å; F27-Y259 HydrophobicContact CE1-CD1 4.24Å; F27-Y259 AromaticContact CE1-CD2 3.55Å; F27-Y259 HydrophobicContact CE1-CD2 3.55Å; F27-Y259 HydrophobicContact CE1-CE1 4.5Å; F27-Y259 AromaticContact CE1-CE2 3.85Å; F27-Y259 HydrophobicContact CE1-CE2 3.85Å; F27-Y259 AromaticContact CE1-CG 3.77Å; F27-Y259 HydrophobicContact CE1-CG 3.77Å; P191-Y259 HydrophobicContact CG-CE2 4.48Å; P191-Y259 WeakPolarHBondContact CG-OH 3.45Å; I255-Y259 HydrophobicContact CD1-CD2 4.37Å; I255-Y259 HydrophobicContact CD1-CE2 4.23Å; I255-Y259 HydrophobicContact CG2-CD2 4.16Å; I255-Y259 PolarHBondContact O-N 3.49Å
260F92.6Very high89.2Confident4 Ų461 Ų612%0.01828%0.275CS..  trans-127.935.8-171.2-63.1-79000112.5L13 L19 F22 C23 R26 F199 I255 T256 K262 Y263L13-F260 HydrophobicContact CD1-CD1 4.42Å; L13-F260 HydrophobicContact CD1-CE1 4.49Å; L19-F260 HydrophobicContact CD1-CE1 4.44Å; F22-F260 AromaticContact CD1-CE1 3.69Å; F22-F260 HydrophobicContact CD1-CE1 3.69Å; F22-F260 HydrophobicContact CD1-CZ 4.48Å; F22-F260 HydrophobicContact CE1-CD1 4.13Å; F22-F260 AromaticContact CE1-CE1 3.54Å; F22-F260 HydrophobicContact CE1-CE1 3.54Å; F22-F260 HydrophobicContact CG-CE1 4.31Å; F22-F260 HydrophobicContact CZ-CE1 4.02Å; C23-F260 HydrophobicContact CB-CE2 4.46Å; C23-F260 HydrophobicContact CB-CZ 4.2Å; C23-F260 VanDerWaalsContact SG-CE2 3.52Å; C23-F260 WeakPolarHBondContact SG-CZ 3.41Å; R26-F260 HydrophobicContact CB-CZ 4.42Å; R26-F260 HydrophobicContact CG-CE1 4.37Å; R26-F260 HydrophobicContact CG-CZ 4.28Å; F199-F260 HydrophobicContact CD1-CE2 4.35Å; F199-F260 AromaticContact CE1-CD2 3.67Å; F199-F260 HydrophobicContact CE1-CD2 3.67Å; F199-F260 AromaticContact CE1-CE2 3.56Å; F199-F260 HydrophobicContact CE1-CE2 3.56Å; F199-F260 HydrophobicContact CE1-CG 4.46Å; F199-F260 HydrophobicContact CE1-CZ 4.28Å; F199-F260 AromaticContact CZ-CD2 3.55Å; F199-F260 HydrophobicContact CZ-CD2 3.55Å; F199-F260 AromaticContact CZ-CE2 3.92Å; F199-F260 HydrophobicContact CZ-CE2 3.92Å; F199-F260 HydrophobicContact CZ-CG 4.3Å; I255-F260 HydrophobicContact CG2-CD2 4.4Å; I255-F260 HydrophobicContact CG2-CE2 4.41Å; T256-F260 HydrophobicContact CG2-CB 4.32Å; T256-F260 CarbonylContact O-C 3.54Å; T256-F260 WeakPolarHBondContact O-CA 3.44Å; T256-F260 PolarHBondContact O-N 3.07Å; F260-K262 PolarHBondContact O-N 3.13Å; F260-Y263 HydrophobicContact CB-CD2 4.03Å; F260-Y263 HydrophobicContact CD1-CD2 4.07Å; F260-Y263 HydrophobicContact CD1-CE2 4.28Å; F260-Y263 PolarHBondContact O-N 3.18Å
261H90.1Very high86.7Confident131 Ų13168.9 Ų68.961%0.60631%0.311SS*.G310 helixtrans-50.9-37.9-174.1-178.560.7000113.7T256 Y263 T264T256-H261 PolarHBondContact O-N 3.05Å; T256-H261 VanDerWaalsContact O-N 3.15Å; H261-Y263 PolarHBondContact O-N 3.22Å; H261-T264 WeakPolarHBondContact O-CB 3.44Å; H261-T264 VanDerWaalsContact O-CG2 3.24Å; H261-T264 WeakPolarHBondContact O-CG2 3.34Å; H261-T264 PolarHBondContact O-N 2.85Å; H261-T264 PolarHBondContact O-OG1 2.96Å
262K88.5Confident84.2Confident137 Ų13773.3 Ų73.360%0.59634%0.342SS*.G310 helixtrans-54.2-34.6176.2-176.4-179.4173.3-173.80113E11 F260E11-K262 IonicContact OE2-NZ 2.79Å; E11-K262 PolarHBondContact OE2-NZ 3.24Å; F260-K262 PolarHBondContact O-N 3.13Å
263Y88.7Confident81.3Confident21 Ų2178.4 Ų78.48%0.08238%0.375CS..G310 helixtrans-91.7-3-174.1-61.3-78.1000114E11 L12 L13 F22 W203 F260 H261 K265 C266E11-Y263 VanDerWaalsContact O-CE1 3.3Å; E11-Y263 WeakPolarHBondContact O-CE1 3.31Å; E11-Y263 PolarHBondContact O-OH 2.57Å; L12-Y263 HydrophobicContact CD1-CD1 3.97Å; L12-Y263 HydrophobicContact CD1-CE1 4.41Å; L13-Y263 HydrophobicContact CD1-CD1 4.48Å; L13-Y263 HydrophobicContact CD1-CD2 4.15Å; L13-Y263 HydrophobicContact CD1-CE1 4.05Å; L13-Y263 HydrophobicContact CD1-CE2 3.68Å; L13-Y263 HydrophobicContact CG-CE1 4.12Å; L13-Y263 HydrophobicContact CG-CE2 4.5Å; F22-Y263 HydrophobicContact CE1-CE2 4.47Å; W203-Y263 HydrophobicContact CH2-CG 4.05Å; W203-Y263 HydrophobicContact CZ2-CG 4.41Å; F260-Y263 HydrophobicContact CB-CD2 4.03Å; F260-Y263 HydrophobicContact CD1-CD2 4.07Å; F260-Y263 HydrophobicContact CD1-CE2 4.28Å; F260-Y263 PolarHBondContact O-N 3.18Å; H261-Y263 PolarHBondContact O-N 3.22Å; Y263-K265 PolarHBondContact O-N 3.35Å; Y263-K265 VanDerWaalsContact O-N 3.14Å; Y263-C266 VanDerWaalsContact O-CB 3.29Å; Y263-C266 WeakPolarHBondContact O-CB 3.44Å; Y263-C266 PolarHBondContact O-N 3.14Å
264T88.1Confident78.4Confident7 Ų785.2 Ų85.24%0.04341%0.412CS..G310 helixtrans-57.9-30.2179.5560000113W218 T256 L257 H261 C266 F267 R268W218-T264 HydrophobicContact CH2-CG2 4.28Å; W218-T264 HydrophobicContact CZ2-CG2 4.07Å; T256-T264 HydrophobicContact CG2-CG2 3.96Å; L257-T264 HydrophobicContact CD2-CG2 3.81Å; H261-T264 WeakPolarHBondContact O-CB 3.44Å; H261-T264 VanDerWaalsContact O-CG2 3.24Å; H261-T264 WeakPolarHBondContact O-CG2 3.34Å; H261-T264 PolarHBondContact O-N 2.85Å; H261-T264 PolarHBondContact O-OG1 2.96Å; T264-C266 PolarHBondContact O-N 2.92Å; T264-F267 PolarHBondContact O-N 3.47Å; T264-R268 PolarHBondContact O-N 3.34Å
265K88.2Confident75.6Confident153 Ų15388.8 Ų88.867%0.66543%0.429SS*.G310 helixtrans-61.7-29.5176.3-62-176.3-179.5-176.10112.8Y263 F267 R268Y263-K265 PolarHBondContact O-N 3.35Å; Y263-K265 VanDerWaalsContact O-N 3.14Å; K265-F267 PolarHBondContact O-N 3.07Å; K265-R268 PolarHBondContact O-N 2.86Å
266C86Confident72.7Confident42 Ų4295.2 Ų95.228%0.28446%0.463SS..G310 helixtrans-69.1-22.1-179.4-56.80000113L12 Y263 T264L12-C266 HydrophobicContact CD1-CB 4.26Å; L12-C266 VanDerWaalsContact CD1-SG 3.51Å; Y263-C266 VanDerWaalsContact O-CB 3.29Å; Y263-C266 WeakPolarHBondContact O-CB 3.44Å; Y263-C266 PolarHBondContact O-N 3.14Å; T264-C266 PolarHBondContact O-N 2.92Å
267F87.9Confident70.3Confident2 Ų2105 Ų1051%0.00951%0.506CS..THydrogen-bonded Turntrans-99.5-18.9-178.6-59.3-67.1000113.5W203 L206 M207 S210 W217 W218 F252 T256 T264 K265W203-F267 AromaticContact CD2-CZ 3.8Å; W203-F267 HydrophobicContact CD2-CZ 3.8Å; W203-F267 AromaticContact CE2-CZ 3.88Å; W203-F267 HydrophobicContact CE3-CE2 4.15Å; W203-F267 AromaticContact CE3-CZ 3.7Å; W203-F267 HydrophobicContact CE3-CZ 3.7Å; W203-F267 AromaticContact CH2-CE2 3.68Å; W203-F267 HydrophobicContact CH2-CE2 3.68Å; W203-F267 AromaticContact CH2-CZ 3.78Å; W203-F267 HydrophobicContact CH2-CZ 3.78Å; W203-F267 HydrophobicContact CZ2-CE2 4.18Å; W203-F267 AromaticContact CZ2-CZ 3.88Å; W203-F267 HydrophobicContact CZ2-CZ 3.88Å; W203-F267 AromaticContact CZ3-CE2 3.65Å; W203-F267 HydrophobicContact CZ3-CE2 3.65Å; W203-F267 AromaticContact CZ3-CZ 3.67Å; W203-F267 HydrophobicContact CZ3-CZ 3.67Å; L206-F267 HydrophobicContact CB-CE1 4.36Å; M207-F267 HydrophobicContact CB-CE1 4.1Å; S210-F267 WeakPolarHBondContact OG-CA 3.41Å; S210-F267 PolarHBondContact OG-O 3.06Å; W217-F267 HydrophobicContact CH2-CB 4.31Å; W217-F267 HydrophobicContact CH2-CD1 4.05Å; W217-F267 HydrophobicContact CH2-CG 4.28Å; W217-F267 HydrophobicContact CZ2-CB 4.11Å; W217-F267 AromaticContact CZ2-CD1 3.77Å; W217-F267 HydrophobicContact CZ2-CD1 3.77Å; W217-F267 HydrophobicContact CZ2-CG 4.22Å; W218-F267 HydrophobicContact CD2-CB 3.63Å; W218-F267 HydrophobicContact CE3-CB 3.33Å; W218-F267 HydrophobicContact CE3-CD2 4.19Å; W218-F267 AromaticContact CE3-CG 3.9Å; W218-F267 HydrophobicContact CE3-CG 3.9Å; W218-F267 HydrophobicContact CG-CB 4.14Å; W218-F267 HydrophobicContact CH2-CB 4.47Å; W218-F267 HydrophobicContact CH2-CD2 4.16Å; W218-F267 HydrophobicContact CZ3-CB 3.79Å; W218-F267 AromaticContact CZ3-CD2 3.73Å; W218-F267 HydrophobicContact CZ3-CD2 3.73Å; W218-F267 AromaticContact CZ3-CG 3.91Å; W218-F267 HydrophobicContact CZ3-CG 3.91Å; F252-F267 HydrophobicContact CE1-CD1 4.45Å; F252-F267 HydrophobicContact CE1-CD2 4.46Å; F252-F267 AromaticContact CE1-CE1 4Å; F252-F267 HydrophobicContact CE1-CE1 4Å; F252-F267 HydrophobicContact CE1-CE2 4.02Å; F252-F267 AromaticContact CE1-CZ 3.77Å; F252-F267 HydrophobicContact CE1-CZ 3.77Å; F252-F267 HydrophobicContact CZ-CE1 4.02Å; F252-F267 HydrophobicContact CZ-CE2 4.19Å; F252-F267 AromaticContact CZ-CZ 3.63Å; F252-F267 HydrophobicContact CZ-CZ 3.63Å; T256-F267 HydrophobicContact CG2-CD2 4.11Å; T256-F267 HydrophobicContact CG2-CE2 3.93Å; T264-F267 PolarHBondContact O-N 3.47Å; K265-F267 PolarHBondContact O-N 3.07Å
268R84.3Confident67.7Low134 Ų134105.5 Ų105.551%0.50652%0.516SS..SBendtrans-75.5131.5174.3-70.7-177.9-176.6-161.5-2.7109W218 T264 K265 E270W218-R268 HydrophobicContact CG-CG 4.41Å; T264-R268 PolarHBondContact O-N 3.34Å; K265-R268 PolarHBondContact O-N 2.86Å; R268-E270 PolarHBondContact O-N 2.76Å; R268-E270 VanDerWaalsContact O-N 3.15Å
269K71.3Confident65.2Low70 Ų70105.8 Ų105.830%0.30452%0.522SS..  trans-73.3106.7163.7-71.7-163-172.6172.50108.6G213 D214 S215 N216 K271G213-K269 VanDerWaalsContact O-CE 3.22Å; G213-K269 WeakPolarHBondContact O-CE 3.43Å; G213-K269 PolarHBondContact O-NZ 3.37Å; D214-K269 PolarHBondContact O-NZ 3.38Å; S215-K269 VanDerWaalsContact O-CE 3.32Å; S215-K269 WeakPolarHBondContact O-CE 3.39Å; S215-K269 PolarHBondContact O-NZ 3.42Å; N216-K269 WeakPolarHBondContact OD1-CD 3.39Å; K269-K271 PolarHBondContact O-N 2.94Å
270E59.2Low62.9Low154 Ų154106.5 Ų106.572%0.7253%0.532SS*.  trans-67.3127.8156.5-69.1-175.8177.100106.9R268 S272R268-E270 PolarHBondContact O-N 2.76Å; R268-E270 VanDerWaalsContact O-N 3.15Å; E270-S272 PolarHBondContact O-N 3.26Å
271K42.3Very low60.7Low216 Ų216107.9 Ų107.994%0.93954%0.542SS*.  trans-66.482.1166.8-71.8-176.9-179.8179.60107.4K269K269-K271 PolarHBondContact O-N 2.94Å
272S42.2Very low58.7Low97 Ų97107 Ų10768%0.67854%0.538SS*.  trans-75.1141168.949.70000109.1E270E270-S272 PolarHBondContact O-N 3.26Å
273P35.1Very low57.1Low107 Ų107103.8 Ų103.870%0.69553%0.531SS*.  trans-65.1148.5172.128.5-31.5000109.2I275P273-I275 PolarHBondContact O-N 3.37Å
274I33.6Very low55.5Low174 Ų174108 Ų10889%0.89255%0.554SS**  trans-49.6103.3-177.3-57.4158.1000109.4
275I36.2Very low54Low147 Ų147113.9 Ų113.975%0.75458%0.575SS**  trans-108.3128.8165.4-65.2174000107.1P273 K277P273-I275 PolarHBondContact O-N 3.37Å; I275-K277 PolarHBondContact O-N 3.44Å
276D36Very low52.8Low137 Ų137108.2 Ų108.273%0.73355%0.552SS**  trans-47.8121-169.1-95.7-39.5000114.3S278D276-S278 PolarHBondContact O-N 3.06Å
277K42.7Very low51.8Low206 Ų206110.3 Ų110.390%0.89657%0.566SS**  trans-73.767.4166-68.6-179.8178.9176.40109.7I275I275-K277 PolarHBondContact O-N 3.44Å
278S41.3Very low51.1Low89 Ų89115.4 Ų115.462%0.62259%0.593SS**  trans-133.16.617867.40000116.2D276D276-S278 PolarHBondContact O-N 3.06Å
279I40.6Very low50.3Low141 Ų141114 Ų11472%0.72360%0.595SS**  trans-108.664.4169.5-45.1178.5000109.7
280V46.3Very low49.9Very low68 Ų68116.5 Ų116.541%0.41260%0.602SS.*  trans-88107.4162.2-179.80000106.3H282V280-H282 VanDerWaalsContact C-N 3.32Å; V280-H282 PolarHBondContact O-N 3.29Å
281S46.3Very low50.5Low32 Ų32111 Ų11122%0.22459%0.587CS.*  trans-6694.9168.642.60000108.5
282H48.4Very low52.2Low114 Ų114105.1 Ų105.153%0.52857%0.569SS.*  trans-63.6139.9174.1-100.1-81.9000110.1V280 I284 R285V280-H282 VanDerWaalsContact C-N 3.32Å; V280-H282 PolarHBondContact O-N 3.29Å; H282-I284 PolarHBondContact O-N 2.98Å; H282-R285 PolarHBondContact O-N 3.32Å
283P54Low53.9Low69 Ų69102 Ų10245%0.44855%0.553SS.*Hα-helixtrans-55.1-28.2175.120.9-32.2000112.7R285 D286 C287P283-R285 PolarHBondContact O-N 3.32Å; P283-D286 PolarHBondContact O-N 3.3Å; P283-C287 PolarHBondContact O-N 3.34Å; P283-C287 PolarHBondContact O-SG 3.43Å; P283-C287 VanDerWaalsContact O-SG 3.37Å
284I55.8Low56.2Low108 Ų10899.9 Ų99.955%0.55454%0.538SS*.Hα-helixtrans-64.1-36.9176.6-56.1171.2000112H282 D286 C287 I288H282-I284 PolarHBondContact O-N 2.98Å; I284-D286 VanDerWaalsContact C-N 3.33Å; I284-D286 PolarHBondContact O-N 2.86Å; I284-C287 WeakPolarHBondContact O-CB 3.45Å; I284-C287 PolarHBondContact O-N 2.95Å; I284-I288 HydrophobicContact CG2-CD1 3.85Å; I284-I288 HydrophobicContact CG2-CG1 4.29Å; I284-I288 WeakPolarHBondContact O-CG1 3.44Å; I284-I288 PolarHBondContact O-N 3.15Å
285R55.8Low58.5Low131 Ų13195.6 Ų95.649%0.49452%0.519SS..Hα-helixtrans-66.2-40.4179-166.3-168.874.8-170.63.9110.7H282 P283 I288 L289H282-R285 PolarHBondContact O-N 3.32Å; P283-R285 PolarHBondContact O-N 3.32Å; R285-I288 PolarHBondContact O-N 3.04Å; R285-L289 HydrophobicContact CG-CD1 4.13Å; R285-L289 PolarHBondContact O-N 3.16Å
286D62.6Low60.7Low34 Ų3490 Ų9018%0.18250%0.498CS..Hα-helixtrans-60.6-48.7173.5-67.1-9.8000108.6R117 P283 I284 I288 L289 W290R117-D286 IonicContact CZ-OD2 3.39Å; R117-D286 IonicContact NH1-OD2 2.86Å; R117-D286 PolarHBondContact NH1-OD2 3.39Å; R117-D286 IonicContact NH2-OD2 2.94Å; R117-D286 PolarHBondContact NH2-OD2 3.22Å; P283-D286 PolarHBondContact O-N 3.3Å; I284-D286 VanDerWaalsContact C-N 3.33Å; I284-D286 PolarHBondContact O-N 2.86Å; D286-I288 PolarHBondContact O-N 3.3Å; D286-L289 PolarHBondContact O-N 3.37Å; D286-W290 WeakPolarHBondContact O-CB 3.26Å; D286-W290 PolarHBondContact O-N 2.82Å
287C66.6Low63Low86 Ų8689.2 Ų89.258%0.58149%0.493SS*.Hα-helixtrans-57.1-39.7175.4-66.30000114.3P283 I284 W290 G291P283-C287 PolarHBondContact O-N 3.34Å; P283-C287 PolarHBondContact O-SG 3.43Å; P283-C287 VanDerWaalsContact O-SG 3.37Å; I284-C287 WeakPolarHBondContact O-CB 3.45Å; I284-C287 PolarHBondContact O-N 2.95Å; C287-W290 PolarHBondContact O-N 3.49Å; C287-G291 PolarHBondContact O-N 3.09Å
288I71.9Confident65Low110 Ų11086.2 Ų86.256%0.56448%0.481SS*.Hα-helixtrans-70.5-45.2179.4-68.8168.3000111.2I284 R285 D286 W290 G291 T292I284-I288 HydrophobicContact CG2-CD1 3.85Å; I284-I288 HydrophobicContact CG2-CG1 4.29Å; I284-I288 WeakPolarHBondContact O-CG1 3.44Å; I284-I288 PolarHBondContact O-N 3.15Å; R285-I288 PolarHBondContact O-N 3.04Å; D286-I288 PolarHBondContact O-N 3.3Å; I288-W290 PolarHBondContact O-N 2.82Å; I288-G291 PolarHBondContact O-N 3Å; I288-T292 PolarHBondContact O-N 2.97Å; I288-T292 PolarHBondContact O-OG1 2.89Å
289L67.9Low66.9Low104 Ų10487.4 Ų87.455%0.54548%0.479SS..Hα-helixtrans-59.3-33.5173.3-105.3123000111.7R285 D286 T292 G293R285-L289 HydrophobicContact CG-CD1 4.13Å; R285-L289 PolarHBondContact O-N 3.16Å; D286-L289 PolarHBondContact O-N 3.37Å; L289-T292 PolarHBondContact O-OG1 3.04Å; L289-G293 PolarHBondContact O-N 3.21Å
290W62.1Low68.9Low123 Ų12384.7 Ų84.747%0.46647%0.47SS..Hα-helixtrans-74-41.4174.5-77.6119.5000113.3L130 D286 C287 I288 T292 G293 V294L130-W290 HydrophobicContact CB-CH2 4.41Å; L130-W290 HydrophobicContact CB-CZ2 3.83Å; L130-W290 HydrophobicContact CD1-CH2 3.72Å; L130-W290 HydrophobicContact CD1-CZ2 3.6Å; L130-W290 HydrophobicContact CD2-CZ2 3.69Å; L130-W290 HydrophobicContact CG-CH2 4.42Å; L130-W290 HydrophobicContact CG-CZ2 3.84Å; D286-W290 WeakPolarHBondContact O-CB 3.26Å; D286-W290 PolarHBondContact O-N 2.82Å; C287-W290 PolarHBondContact O-N 3.49Å; I288-W290 PolarHBondContact O-N 2.82Å; W290-T292 VanDerWaalsContact C-N 3.26Å; W290-T292 PolarHBondContact O-N 3.32Å; W290-G293 PolarHBondContact O-N 3.29Å; W290-V294 HydrophobicContact CE3-CG2 4.48Å; W290-V294 VanDerWaalsContact O-CB 3.31Å; W290-V294 WeakPolarHBondContact O-CB 3.4Å; W290-V294 VanDerWaalsContact O-CG2 3.27Å; W290-V294 WeakPolarHBondContact O-CG2 3.27Å; W290-V294 PolarHBondContact O-N 3.31Å
291G73Confident70.6Confident38 Ų3889 Ų8939%0.39248%0.48SS..Hα-helixtrans-55.6-44.7173.800000110.9C287 I288 V295C287-G291 PolarHBondContact O-N 3.09Å; I288-G291 PolarHBondContact O-N 3Å; G291-V295 VanDerWaalsContact O-CB 3.26Å; G291-V295 WeakPolarHBondContact O-CB 3.26Å; G291-V295 WeakPolarHBondContact O-CG2 3.5Å; G291-V295 PolarHBondContact O-N 3.29Å; G291-V295 VanDerWaalsContact O-N 3.07Å
292T77.9Confident72.1Confident92 Ų9289.2 Ų89.256%0.56448%0.483SS*.Hα-helixtrans-72.1-40.317858.60000112.8I288 L289 W290 G296I288-T292 PolarHBondContact O-N 2.97Å; I288-T292 PolarHBondContact O-OG1 2.89Å; L289-T292 PolarHBondContact O-OG1 3.04Å; W290-T292 VanDerWaalsContact C-N 3.26Å; W290-T292 PolarHBondContact O-N 3.32Å; T292-G296 PolarHBondContact O-N 3.07Å
293G78.7Confident73.6Confident33 Ų3392.1 Ų92.134%0.3449%0.49SS..Hα-helixtrans-67.1-42.5178.100000113.8L289 W290 G296 L297L289-G293 PolarHBondContact O-N 3.21Å; W290-G293 PolarHBondContact O-N 3.29Å; G293-G296 PolarHBondContact O-N 2.86Å; G293-L297 WeakPolarHBondContact O-CG 3.06Å; G293-L297 PolarHBondContact O-N 2.81Å
294V82.4Confident74.7Confident62 Ų6298.7 Ų98.738%0.37651%0.508SS..Hα-helixtrans-67.4-44.5176.1172.70000110.2W290 G296 L297 F298W290-V294 HydrophobicContact CE3-CG2 4.48Å; W290-V294 VanDerWaalsContact O-CB 3.31Å; W290-V294 WeakPolarHBondContact O-CB 3.4Å; W290-V294 VanDerWaalsContact O-CG2 3.27Å; W290-V294 WeakPolarHBondContact O-CG2 3.27Å; W290-V294 PolarHBondContact O-N 3.31Å; V294-G296 VanDerWaalsContact C-N 3.27Å; V294-G296 PolarHBondContact O-N 3.4Å; V294-L297 PolarHBondContact O-N 3.23Å; V294-F298 HydrophobicContact CG1-CD2 3.64Å; V294-F298 HydrophobicContact CG1-CE2 3.84Å; V294-F298 WeakPolarHBondContact O-CB 3.43Å; V294-F298 WeakPolarHBondContact O-CD2 3.31Å; V294-F298 PolarHBondContact O-N 2.84Å
295V82.5Confident75.6Confident83 Ų8395.4 Ų95.450%0.50349%0.494SS..Hα-helixtrans-59.4-42.1172.9170.30000110.3G291 F298 L299G291-V295 VanDerWaalsContact O-CB 3.26Å; G291-V295 WeakPolarHBondContact O-CB 3.26Å; G291-V295 WeakPolarHBondContact O-CG2 3.5Å; G291-V295 PolarHBondContact O-N 3.29Å; G291-V295 VanDerWaalsContact O-N 3.07Å; V295-F298 PolarHBondContact O-N 2.83Å; V295-L299 HydrophobicContact CG1-CD1 3.79Å; V295-L299 HydrophobicContact CG1-CG 4.24Å; V295-L299 WeakPolarHBondContact O-CB 3.33Å; V295-L299 WeakPolarHBondContact O-CG 3.36Å; V295-L299 PolarHBondContact O-N 2.87Å
296G81.8Confident76.1Confident31 Ų3192.8 Ų92.832%0.3249%0.49SS..Hα-helixtrans-59.1-46.7174.200000113.1T292 G293 V294 L299 T300T292-G296 PolarHBondContact O-N 3.07Å; G293-G296 PolarHBondContact O-N 2.86Å; V294-G296 VanDerWaalsContact C-N 3.27Å; V294-G296 PolarHBondContact O-N 3.4Å; G296-L299 PolarHBondContact O-N 3.15Å; G296-T300 WeakPolarHBondContact O-CG2 3.19Å; G296-T300 PolarHBondContact O-N 3.35Å; G296-T300 PolarHBondContact O-OG1 2.84Å
297L84.2Confident75.8Confident120 Ų12094.8 Ų94.863%0.62850%0.501SS*.Hα-helixtrans-66-39.1176.3-77.6170.1000112.8G293 V294 T300 Y301G293-L297 WeakPolarHBondContact O-CG 3.06Å; G293-L297 PolarHBondContact O-N 2.81Å; V294-L297 PolarHBondContact O-N 3.23Å; L297-T300 WeakPolarHBondContact CA-OG1 3.45Å; L297-T300 PolarHBondContact O-OG1 3.01Å; L297-Y301 WeakPolarHBondContact O-CB 3.19Å; L297-Y301 PolarHBondContact O-N 3.34Å
298F84.3Confident75.2Confident143 Ų14394.5 Ų94.563%0.62749%0.493SS*.Hα-helixtrans-65.4-40.5173.9-96.9-85.3000111.3V294 V295 A302V294-F298 HydrophobicContact CG1-CD2 3.64Å; V294-F298 HydrophobicContact CG1-CE2 3.84Å; V294-F298 WeakPolarHBondContact O-CB 3.43Å; V294-F298 WeakPolarHBondContact O-CD2 3.31Å; V294-F298 PolarHBondContact O-N 2.84Å; V295-F298 PolarHBondContact O-N 2.83Å; F298-A302 WeakPolarHBondContact O-CB 3.32Å; F298-A302 PolarHBondContact O-N 3.4Å
299L81.4Confident74.4Confident114 Ų11496.7 Ų96.760%0.59749%0.494SS*.Hα-helixtrans-67.3-42.4176.6-73.3172000111.8V295 G296 A302 Y303V295-L299 HydrophobicContact CG1-CD1 3.79Å; V295-L299 HydrophobicContact CG1-CG 4.24Å; V295-L299 WeakPolarHBondContact O-CB 3.33Å; V295-L299 WeakPolarHBondContact O-CG 3.36Å; V295-L299 PolarHBondContact O-N 2.87Å; G296-L299 PolarHBondContact O-N 3.15Å; L299-A302 PolarHBondContact O-N 2.89Å; L299-Y303 VanDerWaalsContact O-CB 3.31Å; L299-Y303 WeakPolarHBondContact O-CB 3.32Å; L299-Y303 PolarHBondContact O-N 2.83Å
300T82.7Confident73.8Confident84 Ų8496 Ų9652%0.51549%0.49SS..Hα-helixtrans-68.4-39.3175.856.20000111.6G296 L297 Y303 Y304G296-T300 WeakPolarHBondContact O-CG2 3.19Å; G296-T300 PolarHBondContact O-N 3.35Å; G296-T300 PolarHBondContact O-OG1 2.84Å; L297-T300 WeakPolarHBondContact CA-OG1 3.45Å; L297-T300 PolarHBondContact O-OG1 3.01Å; T300-Y303 PolarHBondContact O-N 3.27Å; T300-Y304 WeakPolarHBondContact O-CB 3.19Å; T300-Y304 PolarHBondContact O-N 2.79Å
301Y82Confident73.4Confident159 Ų15996.4 Ų96.462%0.62450%0.5SS*.Hα-helixtrans-63.2-44.3171.8179.5-98.2000111.6L297 Y303 Y304 S305L297-Y301 WeakPolarHBondContact O-CB 3.19Å; L297-Y301 PolarHBondContact O-N 3.34Å; Y301-Y303 VanDerWaalsContact C-N 3.28Å; Y301-Y303 PolarHBondContact O-N 3.39Å; Y301-Y304 PolarHBondContact O-N 2.65Å; Y301-S305 WeakPolarHBondContact O-CB 3.19Å; Y301-S305 PolarHBondContact O-N 2.78Å; Y301-S305 PolarHBondContact O-OG 3.29Å
302A78.4Confident72.7Confident35 Ų35100.8 Ų100.829%0.28951%0.51SS..Hα-helixtrans-62.5-36.1176.200000112.2F298 L299 S305F298-A302 WeakPolarHBondContact O-CB 3.32Å; F298-A302 PolarHBondContact O-N 3.4Å; L299-A302 PolarHBondContact O-N 2.89Å; A302-S305 WeakPolarHBondContact CA-OG 3.31Å; A302-S305 PolarHBondContact O-OG 3.34Å
303Y79.6Confident71.7Confident175 Ų175106.1 Ų106.169%0.68652%0.52SS*.Hα-helixtrans-67.9-47.3173.6-175.5-96.6000111.8L299 T300 Y301 N306 I308L299-Y303 VanDerWaalsContact O-CB 3.31Å; L299-Y303 WeakPolarHBondContact O-CB 3.32Å; L299-Y303 PolarHBondContact O-N 2.83Å; T300-Y303 PolarHBondContact O-N 3.27Å; Y301-Y303 VanDerWaalsContact C-N 3.28Å; Y301-Y303 PolarHBondContact O-N 3.39Å; Y303-N306 PolarHBondContact O-N 3.28Å; Y303-I308 HydrophobicContact CD2-CD1 3.94Å
304Y77.9Confident70.7Confident208 Ų208111.6 Ų111.682%0.81654%0.535SS*.Hα-helixtrans-75-35.9-176.5-156.8-89000113.4T300 Y301 N306T300-Y304 WeakPolarHBondContact O-CB 3.19Å; T300-Y304 PolarHBondContact O-N 2.79Å; Y301-Y304 PolarHBondContact O-N 2.65Å; Y304-N306 PolarHBondContact O-N 3.04Å; Y304-N306 VanDerWaalsContact O-N 3.07Å
305S73.2Confident69.6Low38 Ų38115.8 Ų115.827%0.26655%0.55SS.*THydrogen-bonded Turntrans-68.60.6173.6590000113.3Y301 A302 N307Y301-S305 WeakPolarHBondContact O-CB 3.19Å; Y301-S305 PolarHBondContact O-N 2.78Å; Y301-S305 PolarHBondContact O-OG 3.29Å; A302-S305 WeakPolarHBondContact CA-OG 3.31Å; A302-S305 PolarHBondContact O-OG 3.34Å; S305-N307 PolarHBondContact O-N 3.36Å; S305-N307 PolarHBondContact OG-ND2 3.07Å
306N67.1Low68.3Low76 Ų76121.5 Ų121.541%0.40656%0.563SS.*THydrogen-bonded Turntrans58.517.6176.7-135.9-1000113.2Y303 Y304 I308 R309Y303-N306 PolarHBondContact O-N 3.28Å; Y304-N306 PolarHBondContact O-N 3.04Å; Y304-N306 VanDerWaalsContact O-N 3.07Å; N306-I308 PolarHBondContact O-N 3.35Å; N306-R309 WeakPolarHBondContact O-CB 3.43Å; N306-R309 PolarHBondContact O-N 3.29Å; N306-R309 VanDerWaalsContact OD1-CD 3.31Å; N306-R309 WeakPolarHBondContact OD1-CD 3.35Å; N306-R309 WeakPolarHBondContact OD1-CG 3.38Å
307N55.7Low67.4Low76 Ų76123.7 Ų123.741%0.40657%0.573SS.*Hα-helixtrans-64.3-20.2178.1-83.3-27.9000112.4S305 R309 I310 L311S305-N307 PolarHBondContact O-N 3.36Å; S305-N307 PolarHBondContact OG-ND2 3.07Å; N307-R309 PolarHBondContact O-N 3.19Å; N307-I310 WeakPolarHBondContact O-CB 3.43Å; N307-I310 PolarHBondContact O-N 3.01Å; N307-I310 VanDerWaalsContact OD1-CD1 3.29Å; N307-I310 WeakPolarHBondContact OD1-CD1 3.29Å; N307-L311 PolarHBondContact O-N 3.36Å
308I55.6Low66.3Low81 Ų81129 Ų12942%0.41559%0.585SS.*Hα-helixtrans-62.6-31.4170-60.3173.6000111.1Y303 N306 I310 L311 Q312Y303-I308 HydrophobicContact CD2-CD1 3.94Å; N306-I308 PolarHBondContact O-N 3.35Å; I308-I310 VanDerWaalsContact C-N 3.31Å; I308-I310 PolarHBondContact O-N 3.06Å; I308-L311 PolarHBondContact O-N 3.47Å; I308-Q312 PolarHBondContact O-N 2.91Å
309R53.8Low65Low156 Ų156126.4 Ų126.459%0.58958%0.584SS**Hα-helixtrans-69.6-26.5172.2-79.4-173.1178.7172.9-2.7113N306 N307 R313N306-R309 WeakPolarHBondContact O-CB 3.43Å; N306-R309 PolarHBondContact O-N 3.29Å; N306-R309 VanDerWaalsContact OD1-CD 3.31Å; N306-R309 WeakPolarHBondContact OD1-CD 3.35Å; N306-R309 WeakPolarHBondContact OD1-CG 3.38Å; N307-R309 PolarHBondContact O-N 3.19Å; R309-R313 WeakPolarHBondContact O-CB 3.31Å; R309-R313 WeakPolarHBondContact O-CG 3.46Å; R309-R313 PolarHBondContact O-N 2.97Å
310I56.4Low63.5Low90 Ų90129.2 Ų129.246%0.46261%0.606SS.*Hα-helixtrans-69.7-41.8175.1-58.1-178.6000109.7N307 I308 R313 F314N307-I310 WeakPolarHBondContact O-CB 3.43Å; N307-I310 PolarHBondContact O-N 3.01Å; N307-I310 VanDerWaalsContact OD1-CD1 3.29Å; N307-I310 WeakPolarHBondContact OD1-CD1 3.29Å; I308-I310 VanDerWaalsContact C-N 3.31Å; I308-I310 PolarHBondContact O-N 3.06Å; I310-R313 PolarHBondContact O-N 3.05Å; I310-F314 HydrophobicContact CG2-CD2 4.1Å; I310-F314 HydrophobicContact CG2-CE2 4.31Å; I310-F314 PolarHBondContact O-N 3.38Å
311L53Low62.6Low131 Ų131131.5 Ų131.569%0.68661%0.611SS**Hα-helixtrans-64.6-39.7174.3-76.3165.5000112.4N307 I308 F314 H315N307-L311 PolarHBondContact O-N 3.36Å; I308-L311 PolarHBondContact O-N 3.47Å; L311-F314 PolarHBondContact O-N 3.3Å; L311-H315 PolarHBondContact O-N 2.93Å
312Q58.7Low61.5Low129 Ų129130 Ų13060%0.60361%0.61SS**Hα-helixtrans-67.3-35.2174.4-73.8-178.2-18.600113I308 H315 R316I308-Q312 PolarHBondContact O-N 2.91Å; Q312-H315 PolarHBondContact O-N 3.18Å; Q312-R316 PolarHBondContact O-N 3.39Å; Q312-R316 VanDerWaalsContact O-N 3.15Å
313R57.3Low60.6Low204 Ų204135.3 Ų135.377%0.7763%0.628SS**Hα-helixtrans-66.8-40173.6-83.5-176175-179.5-1.4112.1R309 I310 H315 R316 S317R309-R313 WeakPolarHBondContact O-CB 3.31Å; R309-R313 WeakPolarHBondContact O-CG 3.46Å; R309-R313 PolarHBondContact O-N 2.97Å; I310-R313 PolarHBondContact O-N 3.05Å; R313-H315 VanDerWaalsContact C-N 3.32Å; R313-H315 PolarHBondContact O-N 3.44Å; R313-R316 PolarHBondContact O-N 3.36Å; R313-S317 PolarHBondContact O-N 3.34Å
314F57.6Low59.5Low148 Ų148132.9 Ų132.965%0.64963%0.625SS**Hα-helixtrans-64.2-35.7174.2-100.2-80.3000112.8I310 L311 S317I310-F314 HydrophobicContact CG2-CD2 4.1Å; I310-F314 HydrophobicContact CG2-CE2 4.31Å; I310-F314 PolarHBondContact O-N 3.38Å; L311-F314 PolarHBondContact O-N 3.3Å; F314-S317 PolarHBondContact O-OG 3.48Å
315H58.2Low58.3Low150 Ų150128.3 Ų128.369%0.69461%0.613SS**Hα-helixtrans-72.5-31.1177.9-154.1-58.1000112.8L311 Q312 R313L311-H315 PolarHBondContact O-N 2.93Å; Q312-H315 PolarHBondContact O-N 3.18Å; R313-H315 VanDerWaalsContact C-N 3.32Å; R313-H315 PolarHBondContact O-N 3.44Å
316R56.4Low57.4Low203 Ų203134.3 Ų134.377%0.76664%0.636SS**Hα-helixtrans-75-31.5176.4-109.7-176.8-174.9179.91.9113.8Q312 R313 R318 S319Q312-R316 PolarHBondContact O-N 3.39Å; Q312-R316 VanDerWaalsContact O-N 3.15Å; R313-R316 PolarHBondContact O-N 3.36Å; R316-R318 PolarHBondContact O-N 3.15Å; R316-S319 PolarHBondContact O-N 3.41Å; R316-S319 PolarHBondContact O-OG 3.15Å
317S62.1Low56.7Low77 Ų77138.4 Ų138.454%0.53865%0.652SS.*THydrogen-bonded Turntrans-74.6-11.1177.578.70000113.5R313 F314R313-S317 PolarHBondContact O-N 3.34Å; F314-S317 PolarHBondContact O-OG 3.48Å
318R61.5Low56.7Low231 Ų231143.2 Ų143.287%0.87267%0.671SS**THydrogen-bonded Turntrans-97-7.6178.3-136.1178.8-176.8-179.50.3113R316R316-R318 PolarHBondContact O-N 3.15Å
319S57.4Low56.8Low89 Ų89148.4 Ų148.462%0.62269%0.693SS**  trans-107.813.7179.164.60000113.4R316R316-S319 PolarHBondContact O-N 3.41Å; R316-S319 PolarHBondContact O-OG 3.15Å
320T49.5Very low57.1Low173 Ų173147.7 Ų147.7100%1.06170%0.702SS**  trans-115.30168.451.70000108.4

Retrieved 320 of 320 residues in 69.8 ms (Link to these results)

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