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Protein msa

Accessory element involved in the expression of sarA and several virulence factors. Modulates SarA production and/or function in a strain-dependent manner. Affects the transcription of the accessory gene regulator (agr) and genes encoding virulence factors including alpha toxin (hla) and protein A (spa) (By similarity).

AlphaFold DB (Q2FYN3), UniProt , Accession Q99U85, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene msa, Length 133 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
1M88.8Confident97Very high132 Ų13260.6 Ų60.665%0.6531%0.305SS*.  0-53.40-66.4-52.6-176.600113.6Y3 L4 I5 I51M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 3.48Å; M1-Y3 VanDerWaalsContact O-N 3.12Å; M1-L4 WeakPolarHBondContact O-CA 3.4Å; M1-L4 WeakPolarHBondContact O-CB 3.27Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-L4 HydrophobicContact SD-CD2 4.43Å; M1-I5 PolarHBondContact O-N 3.17Å; M1-I5 VanDerWaalsContact O-N 3.12Å; M1-I51 HydrophobicContact CE-CD1 4.11Å; M1-I51 HydrophobicContact CG-CD1 4.36Å; M1-I51 HydrophobicContact SD-CD1 3.38Å; M1-I51 WeakPolarHBondContact SD-CD1 3.48Å
2K95.8Very high97.1Very high147 Ų14762.8 Ų62.864%0.63932%0.317SS*.Hα-helixtrans-47-45.5-176.368.3-177.1-177.5178.90116.1I5 L6K2-I5 PolarHBondContact O-N 3.34Å; K2-L6 WeakPolarHBondContact O-CB 3.49Å; K2-L6 PolarHBondContact O-N 3.25Å
3Y97.3Very high97.1Very high63 Ų6366.5 Ų66.525%0.24734%0.338CS..Hα-helixtrans-71.2-29.7179.8-60.8-64.3000113.6M1 S7 L45 K48M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 3.48Å; M1-Y3 VanDerWaalsContact O-N 3.12Å; Y3-S7 WeakPolarHBondContact O-CB 3.44Å; Y3-S7 PolarHBondContact O-N 3.26Å; Y3-L45 HydrophobicContact CD1-CD2 4Å; Y3-K48 HydrophobicContact CD1-CB 3.93Å; Y3-K48 HydrophobicContact CD1-CD 4.32Å; Y3-K48 HydrophobicContact CD2-CB 3.89Å; Y3-K48 VanDerWaalsContact CD2-O 3.24Å; Y3-K48 WeakPolarHBondContact CD2-O 3.4Å; Y3-K48 HydrophobicContact CE1-CB 3.78Å; Y3-K48 HydrophobicContact CE1-CD 3.84Å; Y3-K48 HydrophobicContact CE1-CG 4.44Å; Y3-K48 HydrophobicContact CE2-CB 3.74Å; Y3-K48 WeakPolarHBondContact CE2-O 3.34Å; Y3-K48 HydrophobicContact CG-CB 3.97Å
4L97.5Very high97.1Very high9 Ų963.6 Ų63.65%0.04733%0.325CS..Hα-helixtrans-64.2-54.6171.9173.156.8000109.4M1 L6 S7 L8 I51 Y55 F58 N59M1-L4 WeakPolarHBondContact O-CA 3.4Å; M1-L4 WeakPolarHBondContact O-CB 3.27Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-L4 HydrophobicContact SD-CD2 4.43Å; L4-L6 VanDerWaalsContact C-N 3.27Å; L4-L6 PolarHBondContact O-N 3.32Å; L4-S7 WeakPolarHBondContact O-CB 3.36Å; L4-S7 PolarHBondContact O-N 3.4Å; L4-L8 HydrophobicContact CD1-CD1 4.02Å; L4-L8 HydrophobicContact CD1-CD2 4.2Å; L4-L8 HydrophobicContact CD1-CG 3.96Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 HydrophobicContact CG-CG 4.44Å; L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 3.08Å; L4-I51 HydrophobicContact CB-CD1 4.33Å; L4-I51 HydrophobicContact CD2-CD1 4.24Å; L4-Y55 HydrophobicContact CB-CD2 3.85Å; L4-Y55 HydrophobicContact CB-CE2 4.34Å; L4-Y55 HydrophobicContact CD1-CD2 4.02Å; L4-Y55 HydrophobicContact CD1-CE2 4.47Å; L4-Y55 HydrophobicContact CD1-CG 4.42Å; L4-F58 HydrophobicContact CD1-CB 3.9Å; L4-F58 HydrophobicContact CD2-CB 4.19Å; L4-F58 HydrophobicContact CD2-CD2 4.07Å; L4-F58 HydrophobicContact CD2-CG 4.4Å; L4-N59 WeakPolarHBondContact CD1-ND2 3.45Å
5I97.7Very high97.1Very high102 Ų10259.8 Ų59.852%0.52331%0.305SS..Hα-helixtrans-55.8-46179.5-62.3172000110.4M1 K2 S7 L8 V9M1-I5 PolarHBondContact O-N 3.17Å; M1-I5 VanDerWaalsContact O-N 3.12Å; K2-I5 PolarHBondContact O-N 3.34Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.05Å; I5-L8 PolarHBondContact O-N 3.42Å; I5-V9 HydrophobicContact CG2-CG2 4.27Å; I5-V9 WeakPolarHBondContact O-CG2 3.31Å; I5-V9 PolarHBondContact O-N 2.91Å
6L98.2Very high96.9Very high93 Ų9358.7 Ų58.749%0.48731%0.313SS..Hα-helixtrans-59.7-40.8177.4-175.561.4000112.4K2 L4 A10 L45K2-L6 WeakPolarHBondContact O-CB 3.49Å; K2-L6 PolarHBondContact O-N 3.25Å; L4-L6 VanDerWaalsContact C-N 3.27Å; L4-L6 PolarHBondContact O-N 3.32Å; L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.38Å; L6-L45 HydrophobicContact CB-CD1 4.27Å; L6-L45 HydrophobicContact CD2-CD1 4.24Å; L6-L45 HydrophobicContact CD2-CD2 3.83Å; L6-L45 HydrophobicContact CG-CD1 4.02Å
7S98.2Very high96.8Very high0 Ų060.2 Ų60.20%033%0.325CS..Hα-helixtrans-63.5-47.4176.7-165.90000111.5Y3 L4 I5 V9 A10 N11 S42 Y55 N59Y3-S7 WeakPolarHBondContact O-CB 3.44Å; Y3-S7 PolarHBondContact O-N 3.26Å; L4-S7 WeakPolarHBondContact O-CB 3.36Å; L4-S7 PolarHBondContact O-N 3.4Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.05Å; S7-V9 PolarHBondContact O-N 3.24Å; S7-A10 PolarHBondContact O-N 3Å; S7-N11 WeakPolarHBondContact O-CB 3.45Å; S7-N11 VanDerWaalsContact O-CG 3.31Å; S7-N11 PolarHBondContact O-N 3.4Å; S7-N11 PolarHBondContact O-ND2 3.37Å; S7-N11 PolarHBondContact OG-ND2 3.19Å; S7-S42 PolarHBondContact OG-OG 3.13Å; S7-Y55 WeakPolarHBondContact CB-OH 3.28Å; S7-Y55 PolarHBondContact OG-OH 3.22Å; S7-N59 WeakPolarHBondContact CB-OD1 3.23Å; S7-N59 PolarHBondContact OG-OD1 2.93Å
8L98.5Very high96.5Very high25 Ų2557.1 Ų57.113%0.13131%0.308CS..Hα-helixtrans-61.7-46179.6-59.6177.3000111.4L4 I5 N11 L12 F62 Y66L4-L8 HydrophobicContact CD1-CD1 4.02Å; L4-L8 HydrophobicContact CD1-CD2 4.2Å; L4-L8 HydrophobicContact CD1-CG 3.96Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 HydrophobicContact CG-CG 4.44Å; L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 3.08Å; I5-L8 PolarHBondContact O-N 3.42Å; L8-N11 PolarHBondContact O-N 3.45Å; L8-L12 WeakPolarHBondContact O-CB 3.2Å; L8-L12 PolarHBondContact O-N 2.94Å; L8-F62 HydrophobicContact CD1-CD2 4.27Å; L8-F62 HydrophobicContact CD1-CE2 4.48Å; L8-F62 HydrophobicContact CD2-CB 3.59Å; L8-F62 HydrophobicContact CD2-CD2 4.01Å; L8-F62 HydrophobicContact CD2-CG 3.9Å; L8-Y66 WeakPolarHBondContact O-CE2 3.33Å
9V98.5Very high96.2Very high72 Ų7255.5 Ų55.544%0.43630%0.302SS..Hα-helixtrans-64.8-44.2178.1173.10000111.3I5 S7 L12 L13I5-V9 HydrophobicContact CG2-CG2 4.27Å; I5-V9 WeakPolarHBondContact O-CG2 3.31Å; I5-V9 PolarHBondContact O-N 2.91Å; S7-V9 PolarHBondContact O-N 3.24Å; V9-L12 PolarHBondContact O-N 3.5Å; V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.31Å; V9-L13 PolarHBondContact O-N 3.21Å
10A98.4Very high95.9Very high24 Ų2456.7 Ų56.720%0.19832%0.319CS..Hα-helixtrans-63.8-43.9178.800000111.7L6 S7 L13 V14 I41L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.38Å; S7-A10 PolarHBondContact O-N 3Å; A10-L13 PolarHBondContact O-N 3.07Å; A10-V14 WeakPolarHBondContact O-CG2 3.43Å; A10-V14 PolarHBondContact O-N 2.9Å; A10-I41 HydrophobicContact CB-CD1 4.21Å; A10-I41 HydrophobicContact CB-CG2 3.71Å
11N98.5Very high95.5Very high0 Ų057.2 Ų57.20%032%0.321CS..Hα-helixtrans-64.5-41.3175.9-72-37.6000112.1S7 L8 L13 V14 F15 P38 S42 I63 Y66S7-N11 WeakPolarHBondContact O-CB 3.45Å; S7-N11 VanDerWaalsContact O-CG 3.31Å; S7-N11 PolarHBondContact O-N 3.4Å; S7-N11 PolarHBondContact O-ND2 3.37Å; S7-N11 PolarHBondContact OG-ND2 3.19Å; L8-N11 PolarHBondContact O-N 3.45Å; N11-L13 VanDerWaalsContact C-N 3.28Å; N11-L13 PolarHBondContact O-N 3.09Å; N11-V14 WeakPolarHBondContact O-CB 3.31Å; N11-V14 PolarHBondContact O-N 3.42Å; N11-V14 VanDerWaalsContact O-N 3.16Å; N11-F15 VanDerWaalsContact O-CD2 3.28Å; N11-F15 WeakPolarHBondContact O-CD2 3.4Å; N11-F15 PolarHBondContact O-N 3.01Å; N11-P38 WeakPolarHBondContact OD1-CA 3.48Å; N11-S42 PolarHBondContact ND2-OG 3.31Å; N11-I63 HydrophobicContact CB-CG1 4.21Å; N11-I63 WeakPolarHBondContact ND2-CD1 3.11Å; N11-Y66 HydrophobicContact CB-CD2 4.15Å; N11-Y66 HydrophobicContact CB-CE2 4.19Å
12L97.9Very high94.8Very high86 Ų8651 Ų5145%0.4529%0.29SS..Hα-helixtrans-57-43.7174.217763.1000111.5L8 V9 F15 G16 Y66L8-L12 WeakPolarHBondContact O-CB 3.2Å; L8-L12 PolarHBondContact O-N 2.94Å; V9-L12 PolarHBondContact O-N 3.5Å; L12-F15 PolarHBondContact O-N 3.14Å; L12-G16 PolarHBondContact O-N 2.93Å; L12-Y66 HydrophobicContact CB-CD2 4.39Å; L12-Y66 HydrophobicContact CB-CE1 4.3Å; L12-Y66 HydrophobicContact CB-CE2 3.86Å; L12-Y66 HydrophobicContact CD1-CD1 3.88Å; L12-Y66 HydrophobicContact CD1-CE1 3.69Å; L12-Y66 HydrophobicContact CD1-CG 4.45Å; L12-Y66 HydrophobicContact CG-CE1 4.49Å
13L97.6Very high94Very high112 Ų11245.3 Ų45.359%0.58627%0.267SS*.Hα-helixtrans-63.9-40.5176.9-70.7172.4000112.1V9 A10 N11 G16 V17V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.31Å; V9-L13 PolarHBondContact O-N 3.21Å; A10-L13 PolarHBondContact O-N 3.07Å; N11-L13 VanDerWaalsContact C-N 3.28Å; N11-L13 PolarHBondContact O-N 3.09Å; L13-G16 PolarHBondContact O-N 3.45Å; L13-V17 WeakPolarHBondContact O-CB 3.17Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 2.93Å
14V96.4Very high93.4Very high25 Ų2548.3 Ų48.315%0.15229%0.287CS..Hα-helixtrans-58.4-51.2176.61720000110.6A10 N11 G16 V17 L18 I33 I37 I41A10-V14 WeakPolarHBondContact O-CG2 3.43Å; A10-V14 PolarHBondContact O-N 2.9Å; N11-V14 WeakPolarHBondContact O-CB 3.31Å; N11-V14 PolarHBondContact O-N 3.42Å; N11-V14 VanDerWaalsContact O-N 3.16Å; V14-G16 VanDerWaalsContact C-N 3.35Å; V14-G16 PolarHBondContact O-N 3.38Å; V14-V17 PolarHBondContact O-N 3.2Å; V14-L18 HydrophobicContact CG1-CD1 4.22Å; V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 2.64Å; V14-I33 HydrophobicContact CG1-CG2 4.47Å; V14-I37 HydrophobicContact CB-CG2 4.49Å; V14-I37 HydrophobicContact CG1-CB 4.33Å; V14-I37 HydrophobicContact CG1-CG2 3.95Å; V14-I37 HydrophobicContact CG2-CG2 3.66Å; V14-I41 HydrophobicContact CG2-CD1 3.61Å
15F96.6Very high92.8Very high7 Ų750 Ų503%0.03130%0.295CS..Hα-helixtrans-67.4-34.7178.2-76-73.6000112.6N11 L12 L18 S19 V34 P38 I63 Y66 Y67 Y70 Y111N11-F15 VanDerWaalsContact O-CD2 3.28Å; N11-F15 WeakPolarHBondContact O-CD2 3.4Å; N11-F15 PolarHBondContact O-N 3.01Å; L12-F15 PolarHBondContact O-N 3.14Å; F15-L18 HydrophobicContact CD1-CD1 4.44Å; F15-L18 PolarHBondContact O-N 3Å; F15-S19 VanDerWaalsContact O-CB 3.29Å; F15-S19 WeakPolarHBondContact O-CB 3.32Å; F15-S19 PolarHBondContact O-N 3.31Å; F15-V34 HydrophobicContact CE1-CG1 4.13Å; F15-V34 HydrophobicContact CE1-CG2 4.13Å; F15-V34 HydrophobicContact CZ-CG1 4.35Å; F15-P38 HydrophobicContact CE2-CB 4.46Å; F15-P38 HydrophobicContact CE2-CG 3.83Å; F15-P38 HydrophobicContact CZ-CG 3.95Å; F15-I63 HydrophobicContact CE2-CG2 4.17Å; F15-I63 HydrophobicContact CZ-CG2 4.42Å; F15-Y66 HydrophobicContact CD2-CD2 4.14Å; F15-Y66 HydrophobicContact CD2-CG 4.2Å; F15-Y67 HydrophobicContact CE1-CD2 4.03Å; F15-Y67 HydrophobicContact CE1-CG 4.5Å; F15-Y70 HydrophobicContact CD1-CD1 4.26Å; F15-Y70 AromaticContact CD1-CG 4Å; F15-Y70 HydrophobicContact CD1-CG 4Å; F15-Y70 HydrophobicContact CE1-CD1 4.45Å; F15-Y111 HydrophobicContact CZ-CE1 4.4Å
16G95.2Very high92.1Very high42 Ų4248.3 Ų48.343%0.43329%0.288SS..Hα-helixtrans-63.2-43.7173.800000112.8L12 L13 V14 S19 A20L12-G16 PolarHBondContact O-N 2.93Å; L13-G16 PolarHBondContact O-N 3.45Å; V14-G16 VanDerWaalsContact C-N 3.35Å; V14-G16 PolarHBondContact O-N 3.38Å; G16-S19 WeakPolarHBondContact O-CB 3.29Å; G16-S19 PolarHBondContact O-N 3.28Å; G16-A20 PolarHBondContact O-N 3.2Å
17V94.2Very high91.3Very high85 Ų8544.8 Ų44.852%0.51527%0.269SS..Hα-helixtrans-65.7-46.1175.3171.40000110.4L13 V14 S19 A20 I21L13-V17 WeakPolarHBondContact O-CB 3.17Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 2.93Å; V14-V17 PolarHBondContact O-N 3.2Å; V17-S19 VanDerWaalsContact C-N 3.26Å; V17-S19 PolarHBondContact O-N 2.68Å; V17-A20 WeakPolarHBondContact O-CB 3.48Å; V17-A20 PolarHBondContact O-N 2.78Å; V17-I21 HydrophobicContact CG1-CD1 4.22Å; V17-I21 WeakPolarHBondContact O-CG1 3.16Å; V17-I21 PolarHBondContact O-N 3.46Å; V17-I21 VanDerWaalsContact O-N 3.07Å
18L92.6Very high90.5Very high4 Ų450.1 Ų50.12%0.02130%0.297CS..Hα-helixtrans-58.5-38.4175.3-79.5176.4000112.2V14 F15 A20 I21 G22 I25 I33 V34 Y70V14-L18 HydrophobicContact CG1-CD1 4.22Å; V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 2.64Å; F15-L18 HydrophobicContact CD1-CD1 4.44Å; F15-L18 PolarHBondContact O-N 3Å; L18-A20 VanDerWaalsContact C-N 3.26Å; L18-A20 PolarHBondContact O-N 3.43Å; L18-I21 PolarHBondContact O-N 3.39Å; L18-G22 WeakPolarHBondContact O-CA 3.29Å; L18-G22 PolarHBondContact O-N 3.45Å; L18-I25 HydrophobicContact CD2-CD1 4.03Å; L18-I33 HydrophobicContact CD1-CB 4.48Å; L18-I33 HydrophobicContact CD1-CG2 3.85Å; L18-I33 HydrophobicContact CD2-CB 4.21Å; L18-I33 HydrophobicContact CD2-CD1 4.11Å; L18-I33 HydrophobicContact CD2-CG2 3.88Å; L18-I33 HydrophobicContact CG-CG2 4.13Å; L18-V34 HydrophobicContact CD1-CG2 3.7Å; L18-Y70 HydrophobicContact CB-CD2 4.05Å; L18-Y70 HydrophobicContact CB-CE2 3.61Å
19S90.2Very high89.9Confident27 Ų2750.8 Ų50.819%0.18931%0.307CS..Hα-helixtrans-60.9-37.1175.1-169.40000112F15 G16 V17 H73F15-S19 VanDerWaalsContact O-CB 3.29Å; F15-S19 WeakPolarHBondContact O-CB 3.32Å; F15-S19 PolarHBondContact O-N 3.31Å; G16-S19 WeakPolarHBondContact O-CB 3.29Å; G16-S19 PolarHBondContact O-N 3.28Å; V17-S19 VanDerWaalsContact C-N 3.26Å; V17-S19 PolarHBondContact O-N 2.68Å; S19-H73 PolarHBondContact OG-CD2 3.31Å; S19-H73 PolarHBondContact OG-NE2 3.49Å
20A89.4Confident89.4Confident79 Ų7947.7 Ų47.765%0.65329%0.288SS*.Hα-helixtrans-75.9-33.2-179.900000113.2G16 V17 L18G16-A20 PolarHBondContact O-N 3.2Å; V17-A20 WeakPolarHBondContact O-CB 3.48Å; V17-A20 PolarHBondContact O-N 2.78Å; L18-A20 VanDerWaalsContact C-N 3.26Å; L18-A20 PolarHBondContact O-N 3.43Å
21I88Confident88.9Confident67 Ų6751.7 Ų51.734%0.34430%0.304SS..Hα-helixtrans-107-7.1-175.272.3179.1000114.1V17 L18 L23 N24 I25V17-I21 HydrophobicContact CG1-CD1 4.22Å; V17-I21 WeakPolarHBondContact O-CG1 3.16Å; V17-I21 PolarHBondContact O-N 3.46Å; V17-I21 VanDerWaalsContact O-N 3.07Å; L18-I21 PolarHBondContact O-N 3.39Å; I21-L23 VanDerWaalsContact C-N 3.34Å; I21-L23 PolarHBondContact O-N 3.48Å; I21-L23 VanDerWaalsContact O-N 3.16Å; I21-N24 WeakPolarHBondContact O-CA 3.27Å; I21-N24 WeakPolarHBondContact O-CB 3.14Å; I21-N24 PolarHBondContact O-N 3.24Å; I21-I25 HydrophobicContact CD1-CG2 4.47Å
22G74.5Confident88.4Confident1 Ų157.3 Ų57.31%0.0133%0.332CS..G310 helixtrans-57.9-39.7-158.400000114.7L18 N24 I25 Y83L18-G22 WeakPolarHBondContact O-CA 3.29Å; L18-G22 PolarHBondContact O-N 3.45Å; G22-N24 VanDerWaalsContact C-N 3.25Å; G22-N24 PolarHBondContact O-N 3.36Å; G22-I25 VanDerWaalsContact O-CG1 3.3Å; G22-I25 WeakPolarHBondContact O-CG1 3.24Å; G22-Y83 PolarHBondContact O-OH 2.95Å
23L79.2Confident88.2Confident28 Ų2855.7 Ų55.715%0.14732%0.323CS..G310 helixtrans-79.8-2.8177.9-58.4-172.6000114.4I21 L74 L77 K79 F80 Y83I21-L23 VanDerWaalsContact C-N 3.34Å; I21-L23 PolarHBondContact O-N 3.48Å; I21-L23 VanDerWaalsContact O-N 3.16Å; L23-L74 HydrophobicContact CD2-CD2 4.19Å; L23-L74 HydrophobicContact CG-CD2 4.21Å; L23-L77 HydrophobicContact CD1-CB 3.55Å; L23-L77 HydrophobicContact CD1-CD1 3.52Å; L23-L77 HydrophobicContact CD1-CG 4.19Å; L23-L77 HydrophobicContact CG-CD1 3.82Å; L23-K79 HydrophobicContact CD1-CB 3.86Å; L23-F80 HydrophobicContact CD2-CD2 4.21Å; L23-Y83 HydrophobicContact CB-CD2 4.45Å; L23-Y83 HydrophobicContact CD2-CD1 3.64Å; L23-Y83 HydrophobicContact CD2-CD2 4.37Å; L23-Y83 HydrophobicContact CD2-CE1 4.04Å; L23-Y83 HydrophobicContact CD2-CG 3.8Å
24N84.7Confident88Confident127 Ų12750.6 Ų50.668%0.67930%0.297SS*.G310 helixtrans-101.5-3.7177.7-59.2-35.4000112.5I21 G22I21-N24 WeakPolarHBondContact O-CA 3.27Å; I21-N24 WeakPolarHBondContact O-CB 3.14Å; I21-N24 PolarHBondContact O-N 3.24Å; G22-N24 VanDerWaalsContact C-N 3.25Å; G22-N24 PolarHBondContact O-N 3.36Å
25I83.8Confident87.8Confident43 Ų4351.8 Ų51.822%0.22130%0.302CS..SBendtrans-113.9150.4174.359.4171.2000109.1L18 I21 G22 A30 I33 Y83L18-I25 HydrophobicContact CD2-CD1 4.03Å; I21-I25 HydrophobicContact CD1-CG2 4.47Å; G22-I25 VanDerWaalsContact O-CG1 3.3Å; G22-I25 WeakPolarHBondContact O-CG1 3.24Å; I25-A30 HydrophobicContact CD1-CB 3.72Å; I25-A30 HydrophobicContact CG1-CB 4.15Å; I25-I33 HydrophobicContact CD1-CD1 4.17Å; I25-Y83 WeakPolarHBondContact O-CE2 3.1Å; I25-Y83 VanDerWaalsContact O-CZ 3.3Å; I25-Y83 PolarHBondContact O-OH 2.91Å
26N82.8Confident87.8Confident67 Ų6754.5 Ų54.536%0.35832%0.319SS..  trans-58.2150.4174154.3-60.4000111.4L28 A29 A30 E87N26-L28 PolarHBondContact O-N 3.2Å; N26-L28 VanDerWaalsContact OD1-CA 3.31Å; N26-L28 WeakPolarHBondContact OD1-CA 3.4Å; N26-L28 WeakPolarHBondContact OD1-CB 3.32Å; N26-L28 PolarHBondContact OD1-N 3.46Å; N26-A29 PolarHBondContact O-N 2.88Å; N26-A29 PolarHBondContact OD1-N 3.46Å; N26-A30 PolarHBondContact O-N 3.29Å; N26-E87 PolarHBondContact ND2-OE1 3.37Å; N26-E87 PolarHBondContact OD1-OE1 3.48Å
27I81.9Confident87.8Confident19 Ų1955.2 Ų55.210%0.09731%0.312CS..Hα-helixtrans-61.1-47.3-175.8-64.9-173.2000111.9A29 A30 M31 Y83 I84 E87 I98I27-A29 VanDerWaalsContact C-N 3.29Å; I27-A29 PolarHBondContact O-N 2.94Å; I27-A30 WeakPolarHBondContact O-CB 3.22Å; I27-A30 PolarHBondContact O-N 3.35Å; I27-A30 VanDerWaalsContact O-N 3.13Å; I27-M31 HydrophobicContact CG2-CG 4.25Å; I27-M31 HydrophobicContact CG2-SD 3.94Å; I27-M31 WeakPolarHBondContact O-CG 3.38Å; I27-M31 PolarHBondContact O-N 3.42Å; I27-Y83 WeakPolarHBondContact CA-OH 3.28Å; I27-Y83 HydrophobicContact CD1-CD1 4.24Å; I27-Y83 HydrophobicContact CD1-CE1 3.74Å; I27-Y83 HydrophobicContact CG1-CD1 4.27Å; I27-Y83 HydrophobicContact CG1-CE1 3.34Å; I27-Y83 HydrophobicContact CG1-CE2 4.35Å; I27-Y83 VanDerWaalsContact CG1-OH 3.25Å; I27-Y83 WeakPolarHBondContact CG1-OH 3.36Å; I27-Y83 PolarHBondContact N-OH 3.13Å; I27-I84 HydrophobicContact CD1-CD1 3.64Å; I27-E87 HydrophobicContact CB-CG 3.88Å; I27-E87 HydrophobicContact CD1-CB 3.46Å; I27-E87 VanDerWaalsContact CD1-CB 3.46Å; I27-E87 HydrophobicContact CD1-CG 3.61Å; I27-E87 HydrophobicContact CG1-CB 3.93Å; I27-E87 HydrophobicContact CG1-CG 3.71Å; I27-E87 PolarHBondContact N-OE1 2.74Å; I27-E87 PolarHBondContact N-OE2 3.42Å; I27-I98 HydrophobicContact CD1-CD1 4.23Å; I27-I98 HydrophobicContact CG2-CD1 4.31Å
28L81Confident88Confident112 Ų11251.2 Ų51.259%0.58629%0.288SS*.Hα-helixtrans-56.5-44177.6-178.366.6000111.6N26 M31 M32N26-L28 PolarHBondContact O-N 3.2Å; N26-L28 VanDerWaalsContact OD1-CA 3.31Å; N26-L28 WeakPolarHBondContact OD1-CA 3.4Å; N26-L28 WeakPolarHBondContact OD1-CB 3.32Å; N26-L28 PolarHBondContact OD1-N 3.46Å; L28-M31 PolarHBondContact O-N 2.92Å; L28-M32 WeakPolarHBondContact O-CG 3.44Å; L28-M32 PolarHBondContact O-N 3.43Å
29A86.5Confident88.1Confident40 Ų4052.1 Ų52.133%0.33129%0.293SS..Hα-helixtrans-63.1-43.1176.800000111.7N26 I27 M32 I33N26-A29 PolarHBondContact O-N 2.88Å; N26-A29 PolarHBondContact OD1-N 3.46Å; I27-A29 VanDerWaalsContact C-N 3.29Å; I27-A29 PolarHBondContact O-N 2.94Å; A29-M32 PolarHBondContact O-N 2.98Å; A29-I33 VanDerWaalsContact O-CG1 3.29Å; A29-I33 WeakPolarHBondContact O-CG1 3.3Å; A29-I33 PolarHBondContact O-N 3.29Å
30A87.9Confident88.5Confident6 Ų655.5 Ų55.55%0.0531%0.306CS..Hα-helixtrans-60-46.8175.400000111.6I25 N26 I27 M32 I33 V34I25-A30 HydrophobicContact CD1-CB 3.72Å; I25-A30 HydrophobicContact CG1-CB 4.15Å; N26-A30 PolarHBondContact O-N 3.29Å; I27-A30 WeakPolarHBondContact O-CB 3.22Å; I27-A30 PolarHBondContact O-N 3.35Å; I27-A30 VanDerWaalsContact O-N 3.13Å; A30-M32 PolarHBondContact O-N 3.27Å; A30-I33 PolarHBondContact O-N 2.81Å; A30-V34 WeakPolarHBondContact O-CG2 3.47Å; A30-V34 PolarHBondContact O-N 3.07Å
31M87Confident88.9Confident109 Ų10953.5 Ų53.554%0.53729%0.285SS..Hα-helixtrans-60.3-43.7177.6-68.1177.584.200111.9I27 L28 I33 V34 L35I27-M31 HydrophobicContact CG2-CG 4.25Å; I27-M31 HydrophobicContact CG2-SD 3.94Å; I27-M31 WeakPolarHBondContact O-CG 3.38Å; I27-M31 PolarHBondContact O-N 3.42Å; L28-M31 PolarHBondContact O-N 2.92Å; M31-I33 PolarHBondContact O-N 2.99Å; M31-V34 PolarHBondContact O-N 3.41Å; M31-L35 WeakPolarHBondContact O-CB 3.23Å; M31-L35 WeakPolarHBondContact O-CG 3.44Å; M31-L35 PolarHBondContact O-N 2.9Å
32M89.7Confident89.3Confident117 Ų11750.4 Ų50.458%0.57627%0.269SS*.Hα-helixtrans-60-44.6175.4-77-17557.700112L28 A29 A30 L35 V36L28-M32 WeakPolarHBondContact O-CG 3.44Å; L28-M32 PolarHBondContact O-N 3.43Å; A29-M32 PolarHBondContact O-N 2.98Å; A30-M32 PolarHBondContact O-N 3.27Å; M32-L35 PolarHBondContact O-N 3.39Å; M32-V36 VanDerWaalsContact O-CB 3.24Å; M32-V36 WeakPolarHBondContact O-CB 3.33Å; M32-V36 WeakPolarHBondContact O-CG2 3.33Å; M32-V36 PolarHBondContact O-N 3.01Å
33I93.2Very high90.4Very high52 Ų5250.8 Ų50.827%0.26727%0.272SS..Hα-helixtrans-63.7-46.3179.5-64.5165.4000110.2V14 L18 I25 A29 A30 M31 L35 V36 I37 P38V14-I33 HydrophobicContact CG1-CG2 4.47Å; L18-I33 HydrophobicContact CD1-CB 4.48Å; L18-I33 HydrophobicContact CD1-CG2 3.85Å; L18-I33 HydrophobicContact CD2-CB 4.21Å; L18-I33 HydrophobicContact CD2-CD1 4.11Å; L18-I33 HydrophobicContact CD2-CG2 3.88Å; L18-I33 HydrophobicContact CG-CG2 4.13Å; I25-I33 HydrophobicContact CD1-CD1 4.17Å; A29-I33 VanDerWaalsContact O-CG1 3.29Å; A29-I33 WeakPolarHBondContact O-CG1 3.3Å; A29-I33 PolarHBondContact O-N 3.29Å; A30-I33 PolarHBondContact O-N 2.81Å; M31-I33 PolarHBondContact O-N 2.99Å; I33-L35 VanDerWaalsContact C-N 3.32Å; I33-L35 PolarHBondContact O-N 3.48Å; I33-V36 PolarHBondContact O-N 2.74Å; I33-I37 HydrophobicContact CG2-CB 4.29Å; I33-I37 HydrophobicContact CG2-CD1 3.91Å; I33-I37 HydrophobicContact CG2-CG1 3.93Å; I33-I37 WeakPolarHBondContact O-CB 3.43Å; I33-I37 PolarHBondContact O-N 3.37Å; I33-P38 VanDerWaalsContact O-CD 3.27Å; I33-P38 WeakPolarHBondContact O-CD 3.13Å
34V93.5Very high91.2Very high6 Ų654.5 Ų54.54%0.03629%0.291CS..Hα-helixtrans-58.7-41.8178.7168.20000111.6F15 L18 A30 M31 P38 Y67 Y70 Y111F15-V34 HydrophobicContact CE1-CG1 4.13Å; F15-V34 HydrophobicContact CE1-CG2 4.13Å; F15-V34 HydrophobicContact CZ-CG1 4.35Å; L18-V34 HydrophobicContact CD1-CG2 3.7Å; A30-V34 WeakPolarHBondContact O-CG2 3.47Å; A30-V34 PolarHBondContact O-N 3.07Å; M31-V34 PolarHBondContact O-N 3.41Å; V34-P38 WeakPolarHBondContact O-CD 3.35Å; V34-P38 VanDerWaalsContact O-CG 3.28Å; V34-P38 WeakPolarHBondContact O-CG 3.44Å; V34-Y67 HydrophobicContact CG1-CD2 3.53Å; V34-Y67 HydrophobicContact CG1-CE2 3.56Å; V34-Y70 HydrophobicContact CG2-CD1 4.49Å; V34-Y70 HydrophobicContact CG2-CE1 3.92Å; V34-Y111 HydrophobicContact CG1-CE2 4.42Å; V34-Y111 PolarHBondContact O-OH 2.84Å
35L92.6Very high91.8Very high50 Ų5049.3 Ų49.326%0.26226%0.264SS..Hα-helixtrans-79.1-36.7-177.9-67.9173.7000113.3M31 M32 I33 F110 Y111 Y114M31-L35 WeakPolarHBondContact O-CB 3.23Å; M31-L35 WeakPolarHBondContact O-CG 3.44Å; M31-L35 PolarHBondContact O-N 2.9Å; M32-L35 PolarHBondContact O-N 3.39Å; I33-L35 VanDerWaalsContact C-N 3.32Å; I33-L35 PolarHBondContact O-N 3.48Å; L35-F110 HydrophobicContact CD2-CE1 4.41Å; L35-Y111 HydrophobicContact CD2-CD2 3.76Å; L35-Y111 HydrophobicContact CD2-CE2 3.83Å; L35-Y114 HydrophobicContact CB-CE1 4.12Å; L35-Y114 HydrophobicContact CD2-CD1 3.95Å; L35-Y114 HydrophobicContact CD2-CE1 3.77Å; L35-Y114 WeakPolarHBondContact O-CE1 3.34Å; L35-Y114 PolarHBondContact O-OH 3.48Å
36V95.3Very high92.4Very high64 Ų6447.3 Ų47.339%0.38825%0.253SS..Hα-helixtrans-94.2-47.5-167.9-1780000111.5M32 I33 I39 M40M32-V36 VanDerWaalsContact O-CB 3.24Å; M32-V36 WeakPolarHBondContact O-CB 3.33Å; M32-V36 WeakPolarHBondContact O-CG2 3.33Å; M32-V36 PolarHBondContact O-N 3.01Å; I33-V36 PolarHBondContact O-N 2.74Å; V36-I39 PolarHBondContact O-N 3.41Å; V36-M40 HydrophobicContact CG1-CE 3.85Å; V36-M40 HydrophobicContact CG1-CG 4.09Å; V36-M40 HydrophobicContact CG1-SD 3.91Å; V36-M40 WeakPolarHBondContact O-CG 3.43Å; V36-M40 PolarHBondContact O-N 3.15Å
37I96.6Very high93Very high57 Ų5748.6 Ų48.629%0.29226%0.256SS..Hα-helixtrans-66.6-48-171.1-61.4-150.7000112.7V14 I33 I39 M40 I41V14-I37 HydrophobicContact CB-CG2 4.49Å; V14-I37 HydrophobicContact CG1-CB 4.33Å; V14-I37 HydrophobicContact CG1-CG2 3.95Å; V14-I37 HydrophobicContact CG2-CG2 3.66Å; I33-I37 HydrophobicContact CG2-CB 4.29Å; I33-I37 HydrophobicContact CG2-CD1 3.91Å; I33-I37 HydrophobicContact CG2-CG1 3.93Å; I33-I37 WeakPolarHBondContact O-CB 3.43Å; I33-I37 PolarHBondContact O-N 3.37Å; I37-I39 PolarHBondContact O-N 2.95Å; I37-M40 HydrophobicContact CB-CE 4.39Å; I37-M40 HydrophobicContact CG1-CE 3.86Å; I37-M40 PolarHBondContact O-N 2.93Å; I37-M40 VanDerWaalsContact O-N 3.15Å; I37-I41 HydrophobicContact CG2-CD1 3.72Å; I37-I41 HydrophobicContact CG2-CG1 4.33Å; I37-I41 WeakPolarHBondContact O-CG1 3.46Å; I37-I41 PolarHBondContact O-N 3.13Å
38P97.6Very high93.6Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-59.2-36178.4-27.537.2000113.3N11 F15 I33 V34 S42 I63N11-P38 WeakPolarHBondContact OD1-CA 3.48Å; F15-P38 HydrophobicContact CE2-CB 4.46Å; F15-P38 HydrophobicContact CE2-CG 3.83Å; F15-P38 HydrophobicContact CZ-CG 3.95Å; I33-P38 VanDerWaalsContact O-CD 3.27Å; I33-P38 WeakPolarHBondContact O-CD 3.13Å; V34-P38 WeakPolarHBondContact O-CD 3.35Å; V34-P38 VanDerWaalsContact O-CG 3.28Å; V34-P38 WeakPolarHBondContact O-CG 3.44Å; P38-S42 WeakPolarHBondContact O-CB 3.42Å; P38-S42 PolarHBondContact O-N 3.46Å; P38-S42 PolarHBondContact O-OG 2.73Å; P38-I63 HydrophobicContact CB-CD1 4.28Å; P38-I63 HydrophobicContact CB-CG2 4.16Å
39I95.7Very high94.2Very high24 Ų2448 Ų4812%0.12325%0.248CC..Hα-helixtrans-71.1-42.2176.2-69.2-157.8000112.1V36 I37 I41 S42 G43 Y114 L115 I118V36-I39 PolarHBondContact O-N 3.41Å; I37-I39 PolarHBondContact O-N 2.95Å; I39-I41 PolarHBondContact O-N 2.99Å; I39-S42 PolarHBondContact O-N 2.97Å; I39-G43 WeakPolarHBondContact O-CA 3.4Å; I39-G43 PolarHBondContact O-N 2.92Å; I39-Y114 HydrophobicContact CD1-CD1 3.75Å; I39-Y114 HydrophobicContact CD1-CE1 3.08Å; I39-Y114 HydrophobicContact CD1-CE2 4.3Å; I39-Y114 HydrophobicContact CG1-CE1 3.97Å; I39-L115 HydrophobicContact CD1-CD2 3.94Å; I39-L115 HydrophobicContact CG1-CD2 3.7Å; I39-I118 HydrophobicContact CD1-CB 4.08Å; I39-I118 HydrophobicContact CD1-CD1 3.23Å; I39-I118 HydrophobicContact CD1-CG1 4.2Å; I39-I118 HydrophobicContact CD1-CG2 4.16Å; I39-I118 HydrophobicContact CG2-CD1 4.38Å; I39-I118 HydrophobicContact CG2-CG2 3.71Å
40M97.3Very high94.4Very high97 Ų9752.6 Ų52.648%0.47827%0.267SS..Hα-helixtrans-59.3-48.2176.3-74-169.3-5700111.2V36 I37 G43 I44V36-M40 HydrophobicContact CG1-CE 3.85Å; V36-M40 HydrophobicContact CG1-CG 4.09Å; V36-M40 HydrophobicContact CG1-SD 3.91Å; V36-M40 WeakPolarHBondContact O-CG 3.43Å; V36-M40 PolarHBondContact O-N 3.15Å; I37-M40 HydrophobicContact CB-CE 4.39Å; I37-M40 HydrophobicContact CG1-CE 3.86Å; I37-M40 PolarHBondContact O-N 2.93Å; I37-M40 VanDerWaalsContact O-N 3.15Å; M40-G43 PolarHBondContact O-N 2.89Å; M40-I44 WeakPolarHBondContact O-CB 3.39Å; M40-I44 WeakPolarHBondContact O-CD1 3.37Å; M40-I44 VanDerWaalsContact O-CG1 3.23Å; M40-I44 WeakPolarHBondContact O-CG1 3.39Å; M40-I44 PolarHBondContact O-N 3.48Å
41I97.8Very high94.7Very high38 Ų3854.5 Ų54.520%0.19528%0.276CS..Hα-helixtrans-59.2-54.2177.3-68.5168.4000110A10 V14 I37 I39 G43 I44 L45A10-I41 HydrophobicContact CB-CD1 4.21Å; A10-I41 HydrophobicContact CB-CG2 3.71Å; V14-I41 HydrophobicContact CG2-CD1 3.61Å; I37-I41 HydrophobicContact CG2-CD1 3.72Å; I37-I41 HydrophobicContact CG2-CG1 4.33Å; I37-I41 WeakPolarHBondContact O-CG1 3.46Å; I37-I41 PolarHBondContact O-N 3.13Å; I39-I41 PolarHBondContact O-N 2.99Å; I41-G43 VanDerWaalsContact C-N 3.3Å; I41-G43 PolarHBondContact O-N 3.42Å; I41-I44 PolarHBondContact O-N 3.49Å; I41-L45 HydrophobicContact CG2-CD1 4.04Å; I41-L45 WeakPolarHBondContact O-CB 3.39Å; I41-L45 WeakPolarHBondContact O-CG 3.42Å; I41-L45 PolarHBondContact O-N 3.45Å; I41-L45 VanDerWaalsContact O-N 3.13Å
42S97.5Very high95Very high2 Ų250.6 Ų50.61%0.01426%0.257CS..Hα-helixtrans-64.4-37.3-175.4-56.10000111.6S7 N11 P38 I39 F46 Y55 N59 I63S7-S42 PolarHBondContact OG-OG 3.13Å; N11-S42 PolarHBondContact ND2-OG 3.31Å; P38-S42 WeakPolarHBondContact O-CB 3.42Å; P38-S42 PolarHBondContact O-N 3.46Å; P38-S42 PolarHBondContact O-OG 2.73Å; I39-S42 PolarHBondContact O-N 2.97Å; S42-F46 WeakPolarHBondContact O-CB 3.4Å; S42-F46 PolarHBondContact O-N 3.06Å; S42-Y55 WeakPolarHBondContact CA-OH 3.3Å; S42-Y55 WeakPolarHBondContact O-CE1 3.38Å; S42-Y55 PolarHBondContact O-OH 3.48Å; S42-N59 PolarHBondContact OG-OD1 2.98Å; S42-I63 WeakPolarHBondContact OG-CD1 3.38Å
43G96.5Very high95.3Very high8 Ų852.6 Ų52.68%0.08226%0.263CS..Hα-helixtrans-70.6-45.8179.600000113I39 M40 I41 L45 F46 F47I39-G43 WeakPolarHBondContact O-CA 3.4Å; I39-G43 PolarHBondContact O-N 2.92Å; M40-G43 PolarHBondContact O-N 2.89Å; I41-G43 VanDerWaalsContact C-N 3.3Å; I41-G43 PolarHBondContact O-N 3.42Å; G43-L45 VanDerWaalsContact C-N 3.32Å; G43-L45 PolarHBondContact O-N 3.28Å; G43-F46 WeakPolarHBondContact O-CB 3.38Å; G43-F46 PolarHBondContact O-N 3.4Å; G43-F47 VanDerWaalsContact O-CD2 3.32Å; G43-F47 WeakPolarHBondContact O-CD2 3.14Å; G43-F47 PolarHBondContact O-N 3Å
44I96.2Very high95.4Very high107 Ų10752.9 Ų52.955%0.54927%0.267SS..Hα-helixtrans-60.8-44.9177.1-69.6167.1000110.5M40 I41 F46M40-I44 WeakPolarHBondContact O-CB 3.39Å; M40-I44 WeakPolarHBondContact O-CD1 3.37Å; M40-I44 VanDerWaalsContact O-CG1 3.23Å; M40-I44 WeakPolarHBondContact O-CG1 3.39Å; M40-I44 PolarHBondContact O-N 3.48Å; I41-I44 PolarHBondContact O-N 3.49Å; I44-F46 VanDerWaalsContact C-N 3.34Å
45L97.2Very high95.6Very high18 Ų1852.6 Ų52.69%0.09427%0.265CS..Hα-helixtrans-74.3-25.3-179.5-68.1177.1000112.5Y3 L6 I41 G43 F47 K48 T49 Y55Y3-L45 HydrophobicContact CD1-CD2 4Å; L6-L45 HydrophobicContact CB-CD1 4.27Å; L6-L45 HydrophobicContact CD2-CD1 4.24Å; L6-L45 HydrophobicContact CD2-CD2 3.83Å; L6-L45 HydrophobicContact CG-CD1 4.02Å; I41-L45 HydrophobicContact CG2-CD1 4.04Å; I41-L45 WeakPolarHBondContact O-CB 3.39Å; I41-L45 WeakPolarHBondContact O-CG 3.42Å; I41-L45 PolarHBondContact O-N 3.45Å; I41-L45 VanDerWaalsContact O-N 3.13Å; G43-L45 VanDerWaalsContact C-N 3.32Å; G43-L45 PolarHBondContact O-N 3.28Å; L45-F47 PolarHBondContact O-N 2.93Å; L45-K48 PolarHBondContact O-N 3.37Å; L45-K48 VanDerWaalsContact O-N 3.13Å; L45-T49 PolarHBondContact O-N 2.69Å; L45-Y55 HydrophobicContact CB-CE2 4.44Å; L45-Y55 WeakPolarHBondContact CB-OH 3.34Å
46F96.8Very high95.9Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-61.3-41.1175.9177.3-103.4000112.4S42 G43 I44 K48 T49 D52 Y55 I56 L122 Y123 K126S42-F46 WeakPolarHBondContact O-CB 3.4Å; S42-F46 PolarHBondContact O-N 3.06Å; G43-F46 WeakPolarHBondContact O-CB 3.38Å; G43-F46 PolarHBondContact O-N 3.4Å; I44-F46 VanDerWaalsContact C-N 3.34Å; F46-K48 PolarHBondContact O-N 3.12Å; F46-T49 HydrophobicContact CD2-CG2 4.27Å; F46-T49 VanDerWaalsContact O-CG2 3.27Å; F46-T49 WeakPolarHBondContact O-CG2 3.35Å; F46-T49 PolarHBondContact O-N 3.48Å; F46-D52 HydrophobicContact CE2-CB 3.87Å; F46-D52 HydrophobicContact CZ-CB 4.04Å; F46-Y55 HydrophobicContact CB-CD1 4.28Å; F46-Y55 HydrophobicContact CB-CE1 3.74Å; F46-Y55 AromaticContact CD2-CD1 3.56Å; F46-Y55 HydrophobicContact CD2-CD1 3.56Å; F46-Y55 AromaticContact CD2-CE1 3.9Å; F46-Y55 HydrophobicContact CD2-CE1 3.9Å; F46-Y55 HydrophobicContact CD2-CG 4.27Å; F46-Y55 HydrophobicContact CE2-CD1 4.43Å; F46-Y55 HydrophobicContact CG-CD1 4.41Å; F46-Y55 HydrophobicContact CG-CE1 4.33Å; F46-Y55 PolarHBondContact N-OH 3.18Å; F46-I56 HydrophobicContact CD2-CG1 4.26Å; F46-I56 HydrophobicContact CE2-CD1 3.81Å; F46-I56 HydrophobicContact CE2-CG1 3.78Å; F46-I56 HydrophobicContact CZ-CD1 4.15Å; F46-L122 HydrophobicContact CD1-CB 3.92Å; F46-L122 HydrophobicContact CE1-CB 4.08Å; F46-L122 WeakPolarHBondContact CE1-O 3.4Å; F46-Y123 HydrophobicContact CZ-CD2 4.07Å; F46-K126 HydrophobicContact CD1-CD 4.16Å; F46-K126 HydrophobicContact CE1-CB 3.92Å; F46-K126 HydrophobicContact CE1-CD 3.58Å; F46-K126 HydrophobicContact CE1-CG 4.43Å; F46-K126 HydrophobicContact CZ-CD 3.97Å; F46-K126 PolarHBondContact O-NZ 3.31Å
47F95Very high96Very high95 Ų9554 Ų5442%0.41727%0.265SS..Hα-helixtrans-65.4-22.2177.6-75.5-76.6000113.4G43 L45 L122 L125 K126G43-F47 VanDerWaalsContact O-CD2 3.32Å; G43-F47 WeakPolarHBondContact O-CD2 3.14Å; G43-F47 PolarHBondContact O-N 3Å; L45-F47 PolarHBondContact O-N 2.93Å; F47-L122 HydrophobicContact CE2-CD2 3.8Å; F47-L122 HydrophobicContact CZ-CD2 3.98Å; F47-L125 HydrophobicContact CZ-CB 4.49Å; F47-K126 HydrophobicContact CD1-CB 4.04Å; F47-K126 HydrophobicContact CD1-CD 4.4Å; F47-K126 HydrophobicContact CD1-CG 4.07Å; F47-K126 HydrophobicContact CE1-CB 3.81Å; F47-K126 HydrophobicContact CE1-CG 4.34Å
48K94.1Very high96Very high117 Ų11755 Ų5551%0.50927%0.267SS..Hα-helixtrans-89.7-19.1-178.9-59.7-176.8179.51790114Y3 L45 F46Y3-K48 HydrophobicContact CD1-CB 3.93Å; Y3-K48 HydrophobicContact CD1-CD 4.32Å; Y3-K48 HydrophobicContact CD2-CB 3.89Å; Y3-K48 VanDerWaalsContact CD2-O 3.24Å; Y3-K48 WeakPolarHBondContact CD2-O 3.4Å; Y3-K48 HydrophobicContact CE1-CB 3.78Å; Y3-K48 HydrophobicContact CE1-CD 3.84Å; Y3-K48 HydrophobicContact CE1-CG 4.44Å; Y3-K48 HydrophobicContact CE2-CB 3.74Å; Y3-K48 WeakPolarHBondContact CE2-O 3.34Å; Y3-K48 HydrophobicContact CG-CB 3.97Å; L45-K48 PolarHBondContact O-N 3.37Å; L45-K48 VanDerWaalsContact O-N 3.13Å; F46-K48 PolarHBondContact O-N 3.12Å
49T93.7Very high96.1Very high2 Ų255 Ų551%0.01227%0.267CS..  trans-80.6163.2-179.2-165.80000112.5L45 F46 I51 Y55 K126L45-T49 PolarHBondContact O-N 2.69Å; F46-T49 HydrophobicContact CD2-CG2 4.27Å; F46-T49 VanDerWaalsContact O-CG2 3.27Å; F46-T49 WeakPolarHBondContact O-CG2 3.35Å; F46-T49 PolarHBondContact O-N 3.48Å; T49-I51 WeakPolarHBondContact OG1-CG1 3.33Å; T49-I51 PolarHBondContact OG1-N 2.96Å; T49-Y55 HydrophobicContact CG2-CD2 3.72Å; T49-Y55 HydrophobicContact CG2-CE2 4.33Å; T49-Y55 HydrophobicContact CG2-CG 3.82Å; T49-K126 PolarHBondContact O-NZ 3.39Å
50N92.1Very high96.2Very high136 Ų13654.7 Ų54.773%0.72727%0.266SS*.SBendtrans-114.7-4.2169.9-74.9-29.9000112.8D52N50-D52 PolarHBondContact O-N 3.42Å
51I93.7Very high96.2Very high46 Ų4653.8 Ų53.824%0.23626%0.262CS..  trans-103.455.1-176.852.1163.9000110.7M1 L4 T49 K53 T54 Y55M1-I51 HydrophobicContact CE-CD1 4.11Å; M1-I51 HydrophobicContact CG-CD1 4.36Å; M1-I51 HydrophobicContact SD-CD1 3.38Å; M1-I51 WeakPolarHBondContact SD-CD1 3.48Å; L4-I51 HydrophobicContact CB-CD1 4.33Å; L4-I51 HydrophobicContact CD2-CD1 4.24Å; T49-I51 WeakPolarHBondContact OG1-CG1 3.33Å; T49-I51 PolarHBondContact OG1-N 2.96Å; I51-K53 PolarHBondContact O-N 2.94Å; I51-T54 PolarHBondContact O-N 3.46Å; I51-Y55 VanDerWaalsContact O-CB 3.3Å; I51-Y55 WeakPolarHBondContact O-CB 3.32Å; I51-Y55 PolarHBondContact O-N 2.98Å
52D93.4Very high96.2Very high27 Ų2755.3 Ų55.314%0.14427%0.267CS..Hα-helixtrans-54.3-50.9-162.1-60.3-18000113.6F46 N50 Y55 I56 Y123 K126F46-D52 HydrophobicContact CE2-CB 3.87Å; F46-D52 HydrophobicContact CZ-CB 4.04Å; N50-D52 PolarHBondContact O-N 3.42Å; D52-Y55 WeakPolarHBondContact O-CB 3.49Å; D52-Y55 PolarHBondContact O-N 3.39Å; D52-I56 VanDerWaalsContact O-CG1 3.29Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 3.42Å; D52-Y123 HydrophobicContact CB-CD2 3.89Å; D52-Y123 HydrophobicContact CB-CE2 3.88Å; D52-K126 IonicContact OD1-NZ 2.68Å; D52-K126 PolarHBondContact OD1-NZ 3.21Å; D52-K126 IonicContact OD2-NZ 3.79Å
53K95.1Very high96.2Very high159 Ų15955.2 Ų55.269%0.69127%0.266SS*.Hα-helixtrans-64.1-48.1-178.6-63.3-177.7-179.1-178.30112.5I51 Y55 I56 F57I51-K53 PolarHBondContact O-N 2.94Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 PolarHBondContact O-N 3Å; K53-I56 PolarHBondContact O-N 2.93Å; K53-F57 WeakPolarHBondContact O-CB 3.22Å; K53-F57 PolarHBondContact O-N 3.02Å
54T96.8Very high96.2Very high57 Ų5755.7 Ų55.735%0.3527%0.267SS..Hα-helixtrans-60.4-40.2177-52.80000111I51 F58I51-T54 PolarHBondContact O-N 3.46Å; T54-F58 HydrophobicContact CG2-CD2 3.64Å; T54-F58 HydrophobicContact CG2-CE2 3.75Å; T54-F58 WeakPolarHBondContact O-CD2 3.24Å; T54-F58 PolarHBondContact O-N 2.87Å
55Y97.6Very high96.2Very high0 Ų055.8 Ų55.80%026%0.264CS..Hα-helixtrans-62.2-47.9177.4-177.4-79.7000111.7L4 S7 S42 L45 F46 T49 I51 D52 K53 N59L4-Y55 HydrophobicContact CB-CD2 3.85Å; L4-Y55 HydrophobicContact CB-CE2 4.34Å; L4-Y55 HydrophobicContact CD1-CD2 4.02Å; L4-Y55 HydrophobicContact CD1-CE2 4.47Å; L4-Y55 HydrophobicContact CD1-CG 4.42Å; S7-Y55 WeakPolarHBondContact CB-OH 3.28Å; S7-Y55 PolarHBondContact OG-OH 3.22Å; S42-Y55 WeakPolarHBondContact CA-OH 3.3Å; S42-Y55 WeakPolarHBondContact O-CE1 3.38Å; S42-Y55 PolarHBondContact O-OH 3.48Å; L45-Y55 HydrophobicContact CB-CE2 4.44Å; L45-Y55 WeakPolarHBondContact CB-OH 3.34Å; F46-Y55 HydrophobicContact CB-CD1 4.28Å; F46-Y55 HydrophobicContact CB-CE1 3.74Å; F46-Y55 AromaticContact CD2-CD1 3.56Å; F46-Y55 HydrophobicContact CD2-CD1 3.56Å; F46-Y55 AromaticContact CD2-CE1 3.9Å; F46-Y55 HydrophobicContact CD2-CE1 3.9Å; F46-Y55 HydrophobicContact CD2-CG 4.27Å; F46-Y55 HydrophobicContact CE2-CD1 4.43Å; F46-Y55 HydrophobicContact CG-CD1 4.41Å; F46-Y55 HydrophobicContact CG-CE1 4.33Å; F46-Y55 PolarHBondContact N-OH 3.18Å; T49-Y55 HydrophobicContact CG2-CD2 3.72Å; T49-Y55 HydrophobicContact CG2-CE2 4.33Å; T49-Y55 HydrophobicContact CG2-CG 3.82Å; I51-Y55 VanDerWaalsContact O-CB 3.3Å; I51-Y55 WeakPolarHBondContact O-CB 3.32Å; I51-Y55 PolarHBondContact O-N 2.98Å; D52-Y55 WeakPolarHBondContact O-CB 3.49Å; D52-Y55 PolarHBondContact O-N 3.39Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 PolarHBondContact O-N 3Å; Y55-N59 VanDerWaalsContact CD1-ND2 3.29Å; Y55-N59 WeakPolarHBondContact CD1-ND2 3.15Å; Y55-N59 WeakPolarHBondContact CE1-ND2 3.27Å; Y55-N59 VanDerWaalsContact CZ-ND2 3.33Å; Y55-N59 WeakPolarHBondContact O-CB 3.5Å; Y55-N59 PolarHBondContact O-N 2.82Å; Y55-N59 PolarHBondContact O-ND2 2.63Å
56I97.4Very high96.2Very high21 Ų2156.1 Ų56.111%0.10826%0.264CS..Hα-helixtrans-60.9-51.8178.9-67.7168.7000110F46 D52 K53 F58 N59 I60 L119 Y123F46-I56 HydrophobicContact CD2-CG1 4.26Å; F46-I56 HydrophobicContact CE2-CD1 3.81Å; F46-I56 HydrophobicContact CE2-CG1 3.78Å; F46-I56 HydrophobicContact CZ-CD1 4.15Å; D52-I56 VanDerWaalsContact O-CG1 3.29Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 3.42Å; K53-I56 PolarHBondContact O-N 2.93Å; I56-F58 PolarHBondContact O-N 3.34Å; I56-N59 PolarHBondContact O-N 3.32Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.47Å; I56-I60 WeakPolarHBondContact O-CG1 3.47Å; I56-I60 PolarHBondContact O-N 2.91Å; I56-L119 HydrophobicContact CG1-CB 4.17Å; I56-L119 HydrophobicContact CG2-CB 3.97Å; I56-L119 HydrophobicContact CG2-CD1 4.22Å; I56-Y123 HydrophobicContact CD1-CD2 4.28Å; I56-Y123 HydrophobicContact CD1-CG 4.35Å
57F97.4Very high96.1Very high124 Ų12457.9 Ų57.954%0.54427%0.271SS..Hα-helixtrans-54.2-51.7-178.8177.3-101.3000112.6K53 I61K53-F57 WeakPolarHBondContact O-CB 3.22Å; K53-F57 PolarHBondContact O-N 3.02Å; F57-I61 HydrophobicContact CD1-CD1 4.02Å; F57-I61 HydrophobicContact CD2-CD1 4.17Å; F57-I61 HydrophobicContact CE1-CD1 3.45Å; F57-I61 VanDerWaalsContact CE1-CD1 3.45Å; F57-I61 HydrophobicContact CE2-CD1 3.62Å; F57-I61 HydrophobicContact CG-CD1 4.36Å; F57-I61 HydrophobicContact CZ-CD1 3.24Å; F57-I61 WeakPolarHBondContact O-CG1 3.08Å; F57-I61 PolarHBondContact O-N 2.99Å
58F98.2Very high96Very high77 Ų7758.6 Ų58.634%0.33827%0.272SS..Hα-helixtrans-71.1-35.8-179-81.9-67.4000113.1L4 T54 I56 F62L4-F58 HydrophobicContact CD1-CB 3.9Å; L4-F58 HydrophobicContact CD2-CB 4.19Å; L4-F58 HydrophobicContact CD2-CD2 4.07Å; L4-F58 HydrophobicContact CD2-CG 4.4Å; T54-F58 HydrophobicContact CG2-CD2 3.64Å; T54-F58 HydrophobicContact CG2-CE2 3.75Å; T54-F58 WeakPolarHBondContact O-CD2 3.24Å; T54-F58 PolarHBondContact O-N 2.87Å; I56-F58 PolarHBondContact O-N 3.34Å; F58-F62 HydrophobicContact CB-CD2 4.47Å; F58-F62 HydrophobicContact CD1-CD2 4.04Å; F58-F62 AromaticContact CD1-CE2 3.71Å; F58-F62 HydrophobicContact CD1-CE2 3.71Å; F58-F62 HydrophobicContact CE1-CE2 4.28Å; F58-F62 WeakPolarHBondContact O-CB 3.42Å; F58-F62 WeakPolarHBondContact O-CD2 3.44Å; F58-F62 PolarHBondContact O-N 3.12Å
59N98.1Very high95.9Very high0 Ų057 Ų570%027%0.268CS..Hα-helixtrans-63.8-43.1176.1-84.5-85.4000111.4L4 S7 S42 Y55 I56 I63 L119L4-N59 WeakPolarHBondContact CD1-ND2 3.45Å; S7-N59 WeakPolarHBondContact CB-OD1 3.23Å; S7-N59 PolarHBondContact OG-OD1 2.93Å; S42-N59 PolarHBondContact OG-OD1 2.98Å; Y55-N59 VanDerWaalsContact CD1-ND2 3.29Å; Y55-N59 WeakPolarHBondContact CD1-ND2 3.15Å; Y55-N59 WeakPolarHBondContact CE1-ND2 3.27Å; Y55-N59 VanDerWaalsContact CZ-ND2 3.33Å; Y55-N59 WeakPolarHBondContact O-CB 3.5Å; Y55-N59 PolarHBondContact O-N 2.82Å; Y55-N59 PolarHBondContact O-ND2 2.63Å; I56-N59 PolarHBondContact O-N 3.32Å; N59-I63 HydrophobicContact CB-CD1 4.12Å; N59-I63 WeakPolarHBondContact O-CB 3.17Å; N59-I63 WeakPolarHBondContact O-CD1 3.37Å; N59-I63 WeakPolarHBondContact O-CG1 3.48Å; N59-I63 PolarHBondContact O-N 3.4Å; N59-L119 HydrophobicContact CB-CD1 4.47Å
60I97.6Very high95.9Very high18 Ų1857.4 Ų57.49%0.09227%0.269CS..Hα-helixtrans-57.7-56.7177-67.2170.2000110I56 F62 I63 D64 T112 L115 L116 L119I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.47Å; I56-I60 WeakPolarHBondContact O-CG1 3.47Å; I56-I60 PolarHBondContact O-N 2.91Å; I60-F62 PolarHBondContact O-N 3.4Å; I60-I63 PolarHBondContact O-N 3.36Å; I60-D64 WeakPolarHBondContact O-CB 3.33Å; I60-D64 VanDerWaalsContact O-CG 3.3Å; I60-D64 PolarHBondContact O-N 3.25Å; I60-T112 HydrophobicContact CG2-CG2 3.95Å; I60-L115 HydrophobicContact CG1-CB 4.22Å; I60-L116 HydrophobicContact CD1-CB 4.29Å; I60-L116 HydrophobicContact CD1-CD1 3.73Å; I60-L119 HydrophobicContact CD1-CD1 4.29Å; I60-L119 HydrophobicContact CG1-CD1 3.75Å
61I97.1Very high95.8Very high78 Ų7852.2 Ų52.240%0.424%0.242SC..Hα-helixtrans-56.8-48.4-176.5-70.6175.3000112.1F57 F65F57-I61 HydrophobicContact CD1-CD1 4.02Å; F57-I61 HydrophobicContact CD2-CD1 4.17Å; F57-I61 HydrophobicContact CE1-CD1 3.45Å; F57-I61 VanDerWaalsContact CE1-CD1 3.45Å; F57-I61 HydrophobicContact CE2-CD1 3.62Å; F57-I61 HydrophobicContact CG-CD1 4.36Å; F57-I61 HydrophobicContact CZ-CD1 3.24Å; F57-I61 WeakPolarHBondContact O-CG1 3.08Å; F57-I61 PolarHBondContact O-N 2.99Å; I61-F65 VanDerWaalsContact O-CB 3.29Å; I61-F65 WeakPolarHBondContact O-CB 3.34Å; I61-F65 PolarHBondContact O-N 3.28Å
62F98.2Very high95.6Very high69 Ų6952.8 Ų52.830%0.30325%0.247SC..Hα-helixtrans-74.8-35.9-175.2-85.6-85.6000112.4L8 F58 I60 F65 Y66L8-F62 HydrophobicContact CD1-CD2 4.27Å; L8-F62 HydrophobicContact CD1-CE2 4.48Å; L8-F62 HydrophobicContact CD2-CB 3.59Å; L8-F62 HydrophobicContact CD2-CD2 4.01Å; L8-F62 HydrophobicContact CD2-CG 3.9Å; F58-F62 HydrophobicContact CB-CD2 4.47Å; F58-F62 HydrophobicContact CD1-CD2 4.04Å; F58-F62 AromaticContact CD1-CE2 3.71Å; F58-F62 HydrophobicContact CD1-CE2 3.71Å; F58-F62 HydrophobicContact CE1-CE2 4.28Å; F58-F62 WeakPolarHBondContact O-CB 3.42Å; F58-F62 WeakPolarHBondContact O-CD2 3.44Å; F58-F62 PolarHBondContact O-N 3.12Å; I60-F62 PolarHBondContact O-N 3.4Å; F62-F65 PolarHBondContact O-N 2.96Å; F62-Y66 HydrophobicContact CB-CE2 4.03Å; F62-Y66 AromaticContact CD1-CE1 3.98Å; F62-Y66 HydrophobicContact CD1-CE1 3.98Å; F62-Y66 AromaticContact CD1-CZ 3.75Å; F62-Y66 WeakPolarHBondContact CD1-OH 3.29Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 WeakPolarHBondContact O-CD1 3.2Å; F62-Y66 WeakPolarHBondContact O-CD2 3.37Å; F62-Y66 PolarHBondContact O-N 3.46Å
63I98Very high95.5Very high0 Ų054.8 Ų54.80%026%0.255CS..Hα-helixtrans-66.4-42.4175.9-68.6168.4000110.2N11 F15 P38 S42 N59 I60 F65 Y66 Y67 Y111 L115N11-I63 HydrophobicContact CB-CG1 4.21Å; N11-I63 WeakPolarHBondContact ND2-CD1 3.11Å; F15-I63 HydrophobicContact CE2-CG2 4.17Å; F15-I63 HydrophobicContact CZ-CG2 4.42Å; P38-I63 HydrophobicContact CB-CD1 4.28Å; P38-I63 HydrophobicContact CB-CG2 4.16Å; S42-I63 WeakPolarHBondContact OG-CD1 3.38Å; N59-I63 HydrophobicContact CB-CD1 4.12Å; N59-I63 WeakPolarHBondContact O-CB 3.17Å; N59-I63 WeakPolarHBondContact O-CD1 3.37Å; N59-I63 WeakPolarHBondContact O-CG1 3.48Å; N59-I63 PolarHBondContact O-N 3.4Å; I60-I63 PolarHBondContact O-N 3.36Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 3.36Å; I63-Y66 PolarHBondContact O-N 2.93Å; I63-Y67 WeakPolarHBondContact O-CB 3.34Å; I63-Y67 PolarHBondContact O-N 3.01Å; I63-Y111 HydrophobicContact CG2-CE1 3.45Å; I63-Y111 VanDerWaalsContact CG2-CE1 3.45Å; I63-Y111 VanDerWaalsContact CG2-OH 3.23Å; I63-Y111 WeakPolarHBondContact CG2-OH 3.36Å; I63-L115 HydrophobicContact CB-CD1 3.99Å; I63-L115 HydrophobicContact CD1-CD2 4.31Å; I63-L115 HydrophobicContact CG2-CD1 3.59Å; I63-L115 HydrophobicContact CG2-CD2 4.15Å
64D95.5Very high95.1Very high19 Ų1947.7 Ų47.710%0.10223%0.225CC..Hα-helixtrans-60.9-43.1174.1-72.7-19.2000111.1I60 Y67 Y68 T112 L115I60-D64 WeakPolarHBondContact O-CB 3.33Å; I60-D64 VanDerWaalsContact O-CG 3.3Å; I60-D64 PolarHBondContact O-N 3.25Å; D64-Y67 PolarHBondContact O-N 2.66Å; D64-Y68 WeakPolarHBondContact O-CB 3.48Å; D64-Y68 PolarHBondContact O-N 3.07Å; D64-T112 VanDerWaalsContact CG-OG1 3.25Å; D64-T112 WeakPolarHBondContact OD2-CB 3.27Å; D64-T112 PolarHBondContact OD2-OG1 3.3Å; D64-L115 WeakPolarHBondContact OD1-CD1 3.37Å
65F96.4Very high94.6Very high109 Ų10947.7 Ų47.748%0.47822%0.222SC..Hα-helixtrans-62.8-42.5176179.1-109.5000112.8I61 F62 I63 Y68 I69I61-F65 VanDerWaalsContact O-CB 3.29Å; I61-F65 WeakPolarHBondContact O-CB 3.34Å; I61-F65 PolarHBondContact O-N 3.28Å; F62-F65 PolarHBondContact O-N 2.96Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 3.36Å; F65-Y68 PolarHBondContact O-N 3.02Å; F65-I69 HydrophobicContact CD1-CD1 4.07Å; F65-I69 HydrophobicContact CD2-CD1 4.36Å; F65-I69 HydrophobicContact CE1-CD1 3.43Å; F65-I69 VanDerWaalsContact CE1-CD1 3.43Å; F65-I69 HydrophobicContact CE2-CD1 3.77Å; F65-I69 HydrophobicContact CE2-CG1 4.31Å; F65-I69 HydrophobicContact CZ-CD1 3.28Å; F65-I69 HydrophobicContact CZ-CG1 4.28Å; F65-I69 WeakPolarHBondContact O-CG1 3.32Å; F65-I69 PolarHBondContact O-N 2.91Å
66Y97.3Very high94.1Very high25 Ų2552.6 Ų52.610%0.09825%0.251CS..Hα-helixtrans-66.7-41.2176.9-58.5-27.7000111.7L8 N11 L12 F15 F62 I63 I69 Y70L8-Y66 WeakPolarHBondContact O-CE2 3.33Å; N11-Y66 HydrophobicContact CB-CD2 4.15Å; N11-Y66 HydrophobicContact CB-CE2 4.19Å; L12-Y66 HydrophobicContact CB-CD2 4.39Å; L12-Y66 HydrophobicContact CB-CE1 4.3Å; L12-Y66 HydrophobicContact CB-CE2 3.86Å; L12-Y66 HydrophobicContact CD1-CD1 3.88Å; L12-Y66 HydrophobicContact CD1-CE1 3.69Å; L12-Y66 HydrophobicContact CD1-CG 4.45Å; L12-Y66 HydrophobicContact CG-CE1 4.49Å; F15-Y66 HydrophobicContact CD2-CD2 4.14Å; F15-Y66 HydrophobicContact CD2-CG 4.2Å; F62-Y66 HydrophobicContact CB-CE2 4.03Å; F62-Y66 AromaticContact CD1-CE1 3.98Å; F62-Y66 HydrophobicContact CD1-CE1 3.98Å; F62-Y66 AromaticContact CD1-CZ 3.75Å; F62-Y66 WeakPolarHBondContact CD1-OH 3.29Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 WeakPolarHBondContact O-CD1 3.2Å; F62-Y66 WeakPolarHBondContact O-CD2 3.37Å; F62-Y66 PolarHBondContact O-N 3.46Å; I63-Y66 PolarHBondContact O-N 2.93Å; Y66-I69 PolarHBondContact O-N 3.3Å; Y66-Y70 VanDerWaalsContact O-CB 3.22Å; Y66-Y70 WeakPolarHBondContact O-CB 3.29Å; Y66-Y70 PolarHBondContact O-N 3.48Å
67Y95.2Very high93.6Very high36 Ų3654 Ų5414%0.14126%0.259CS..Hα-helixtrans-62.1-43.3174.7177.6-119.2000111.6F15 V34 I63 D64 Y70 N71 F103 Y111F15-Y67 HydrophobicContact CE1-CD2 4.03Å; F15-Y67 HydrophobicContact CE1-CG 4.5Å; V34-Y67 HydrophobicContact CG1-CD2 3.53Å; V34-Y67 HydrophobicContact CG1-CE2 3.56Å; I63-Y67 WeakPolarHBondContact O-CB 3.34Å; I63-Y67 PolarHBondContact O-N 3.01Å; D64-Y67 PolarHBondContact O-N 2.66Å; Y67-Y70 HydrophobicContact CD2-CD1 4.25Å; Y67-Y70 PolarHBondContact O-N 2.9Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.4Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.43Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.29Å; Y67-N71 PolarHBondContact O-N 3.39Å; Y67-N71 PolarHBondContact O-ND2 3.37Å; Y67-F103 HydrophobicContact CD1-CE2 4.25Å; Y67-F103 HydrophobicContact CD1-CZ 4.11Å; Y67-F103 AromaticContact CE1-CE2 3.56Å; Y67-F103 HydrophobicContact CE1-CE2 3.56Å; Y67-F103 AromaticContact CE1-CZ 3.85Å; Y67-F103 HydrophobicContact CE1-CZ 3.85Å; Y67-F103 AromaticContact CZ-CE2 3.77Å; Y67-Y111 AromaticContact CD1-CD1 3.54Å; Y67-Y111 HydrophobicContact CD1-CD1 3.54Å; Y67-Y111 HydrophobicContact CD1-CE1 4.19Å; Y67-Y111 HydrophobicContact CD1-CG 4.17Å; Y67-Y111 HydrophobicContact CD2-CD1 4.48Å; Y67-Y111 HydrophobicContact CD2-CE1 4.43Å; Y67-Y111 HydrophobicContact CE1-CD1 4.18Å; Y67-Y111 HydrophobicContact CE1-CG 4.36Å; Y67-Y111 AromaticContact CG-CD1 3.71Å; Y67-Y111 HydrophobicContact CG-CD1 3.71Å; Y67-Y111 AromaticContact CG-CE1 3.87Å; Y67-Y111 HydrophobicContact CG-CE1 3.87Å
68Y93.4Very high92.9Very high111 Ų11154 Ų5444%0.43527%0.271SS..Hα-helixtrans-57.4-53.9174.5175.3-94.2000111.8D64 F65 Y70 N71 V72 F103 I108D64-Y68 WeakPolarHBondContact O-CB 3.48Å; D64-Y68 PolarHBondContact O-N 3.07Å; F65-Y68 PolarHBondContact O-N 3.02Å; Y68-Y70 VanDerWaalsContact C-N 3.29Å; Y68-Y70 PolarHBondContact O-N 3.4Å; Y68-N71 PolarHBondContact O-N 3.25Å; Y68-V72 HydrophobicContact CD1-CG2 4.28Å; Y68-V72 HydrophobicContact CD2-CG2 4.45Å; Y68-V72 HydrophobicContact CE1-CG2 3.84Å; Y68-V72 HydrophobicContact CE2-CG2 4.01Å; Y68-V72 WeakPolarHBondContact O-CG2 3.18Å; Y68-V72 PolarHBondContact O-N 3.47Å; Y68-F103 AromaticContact CD2-CE1 3.68Å; Y68-F103 HydrophobicContact CD2-CE1 3.68Å; Y68-F103 HydrophobicContact CE2-CE1 4.26Å; Y68-F103 HydrophobicContact CG-CE1 4.45Å; Y68-I108 HydrophobicContact CD2-CD1 3.66Å; Y68-I108 HydrophobicContact CE2-CD1 4.35Å
69I92.5Very high92.2Very high82 Ų8256.9 Ų56.942%0.42128%0.284SS..Hα-helixtrans-61.2-41.1-179.7-70.6179.7000111.2F65 Y66 V72 H73F65-I69 HydrophobicContact CD1-CD1 4.07Å; F65-I69 HydrophobicContact CD2-CD1 4.36Å; F65-I69 HydrophobicContact CE1-CD1 3.43Å; F65-I69 VanDerWaalsContact CE1-CD1 3.43Å; F65-I69 HydrophobicContact CE2-CD1 3.77Å; F65-I69 HydrophobicContact CE2-CG1 4.31Å; F65-I69 HydrophobicContact CZ-CD1 3.28Å; F65-I69 HydrophobicContact CZ-CG1 4.28Å; F65-I69 WeakPolarHBondContact O-CG1 3.32Å; F65-I69 PolarHBondContact O-N 2.91Å; Y66-I69 PolarHBondContact O-N 3.3Å; I69-V72 PolarHBondContact O-N 3.35Å; I69-H73 VanDerWaalsContact O-CB 3.27Å; I69-H73 WeakPolarHBondContact O-CB 3.31Å; I69-H73 PolarHBondContact O-N 2.98Å
70Y93.1Very high91.5Very high11 Ų1158.9 Ų58.94%0.04329%0.293CS..Hα-helixtrans-57.2-49.4177.2162.2-106.5000111.9F15 L18 V34 Y66 Y67 Y68 H73 L74F15-Y70 HydrophobicContact CD1-CD1 4.26Å; F15-Y70 AromaticContact CD1-CG 4Å; F15-Y70 HydrophobicContact CD1-CG 4Å; F15-Y70 HydrophobicContact CE1-CD1 4.45Å; L18-Y70 HydrophobicContact CB-CD2 4.05Å; L18-Y70 HydrophobicContact CB-CE2 3.61Å; V34-Y70 HydrophobicContact CG2-CD1 4.49Å; V34-Y70 HydrophobicContact CG2-CE1 3.92Å; Y66-Y70 VanDerWaalsContact O-CB 3.22Å; Y66-Y70 WeakPolarHBondContact O-CB 3.29Å; Y66-Y70 PolarHBondContact O-N 3.48Å; Y67-Y70 HydrophobicContact CD2-CD1 4.25Å; Y67-Y70 PolarHBondContact O-N 2.9Å; Y68-Y70 VanDerWaalsContact C-N 3.29Å; Y68-Y70 PolarHBondContact O-N 3.4Å; Y70-H73 PolarHBondContact O-N 2.88Å; Y70-L74 HydrophobicContact CD2-CD1 4.26Å; Y70-L74 HydrophobicContact CD2-CG 4.26Å; Y70-L74 HydrophobicContact CE1-CD1 3.9Å; Y70-L74 HydrophobicContact CE2-CD1 3.48Å; Y70-L74 VanDerWaalsContact CE2-CD1 3.48Å; Y70-L74 HydrophobicContact CE2-CD2 4.26Å; Y70-L74 HydrophobicContact CE2-CG 3.84Å; Y70-L74 WeakPolarHBondContact O-CG 3.33Å; Y70-L74 PolarHBondContact O-N 3.36Å; Y70-L74 WeakPolarHBondContact OH-CD1 3.35Å
71N90.2Very high90.7Very high28 Ų2863.8 Ų63.815%0.1532%0.319CS..Hα-helixtrans-67.7-45.1179.7-73.9-77.1000112.2Y67 Y68 H73 L74 M75 F103Y67-N71 WeakPolarHBondContact CD2-ND2 3.4Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.43Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.29Å; Y67-N71 PolarHBondContact O-N 3.39Å; Y67-N71 PolarHBondContact O-ND2 3.37Å; Y68-N71 PolarHBondContact O-N 3.25Å; N71-H73 PolarHBondContact O-N 3.22Å; N71-L74 PolarHBondContact O-N 3.33Å; N71-L74 VanDerWaalsContact O-N 3.14Å; N71-M75 WeakPolarHBondContact O-CG 3.46Å; N71-M75 PolarHBondContact O-N 2.85Å; N71-F103 HydrophobicContact CB-CB 4.23Å; N71-F103 HydrophobicContact CB-CD1 3.76Å; N71-F103 HydrophobicContact CB-CD2 3.48Å; N71-F103 VanDerWaalsContact CB-CD2 3.48Å; N71-F103 HydrophobicContact CB-CE1 3.9Å; N71-F103 HydrophobicContact CB-CE2 3.69Å; N71-F103 HydrophobicContact CB-CG 3.54Å; N71-F103 HydrophobicContact CB-CZ 3.88Å; N71-F103 VanDerWaalsContact CG-CD2 3.41Å; N71-F103 VanDerWaalsContact ND2-CE2 3.26Å; N71-F103 WeakPolarHBondContact ND2-CE2 3.44Å
72V88.8Confident89.9Confident57 Ų5765.6 Ų65.635%0.34533%0.33SS..Hα-helixtrans-56.3-43.5175.51710000110.4Y68 I69 M75 T76Y68-V72 HydrophobicContact CD1-CG2 4.28Å; Y68-V72 HydrophobicContact CD2-CG2 4.45Å; Y68-V72 HydrophobicContact CE1-CG2 3.84Å; Y68-V72 HydrophobicContact CE2-CG2 4.01Å; Y68-V72 WeakPolarHBondContact O-CG2 3.18Å; Y68-V72 PolarHBondContact O-N 3.47Å; I69-V72 PolarHBondContact O-N 3.35Å; V72-M75 PolarHBondContact O-N 2.94Å; V72-T76 WeakPolarHBondContact O-CG2 3.34Å; V72-T76 PolarHBondContact O-N 2.62Å
73H90.5Very high89.1Confident69 Ų6963.9 Ų63.932%0.31932%0.321SS..Hα-helixtrans-61.6-49.4176.3176.474.3000112S19 I69 Y70 N71 M75 T76 L77S19-H73 PolarHBondContact OG-CD2 3.31Å; S19-H73 PolarHBondContact OG-NE2 3.49Å; I69-H73 VanDerWaalsContact O-CB 3.27Å; I69-H73 WeakPolarHBondContact O-CB 3.31Å; I69-H73 PolarHBondContact O-N 2.98Å; Y70-H73 PolarHBondContact O-N 2.88Å; N71-H73 PolarHBondContact O-N 3.22Å; H73-M75 VanDerWaalsContact C-N 3.27Å; H73-M75 PolarHBondContact O-N 3.09Å; H73-T76 PolarHBondContact O-N 3.35Å; H73-T76 PolarHBondContact O-OG1 3.03Å; H73-L77 PolarHBondContact O-N 3.29Å
74L87.4Confident88.1Confident11 Ų1165.2 Ų65.26%0.05833%0.328CS..Hα-helixtrans-58.4-40.4179.8-72.5-173.3000112.4L23 Y70 N71 T76 L77 F80L23-L74 HydrophobicContact CD2-CD2 4.19Å; L23-L74 HydrophobicContact CG-CD2 4.21Å; Y70-L74 HydrophobicContact CD2-CD1 4.26Å; Y70-L74 HydrophobicContact CD2-CG 4.26Å; Y70-L74 HydrophobicContact CE1-CD1 3.9Å; Y70-L74 HydrophobicContact CE2-CD1 3.48Å; Y70-L74 VanDerWaalsContact CE2-CD1 3.48Å; Y70-L74 HydrophobicContact CE2-CD2 4.26Å; Y70-L74 HydrophobicContact CE2-CG 3.84Å; Y70-L74 WeakPolarHBondContact O-CG 3.33Å; Y70-L74 PolarHBondContact O-N 3.36Å; Y70-L74 WeakPolarHBondContact OH-CD1 3.35Å; N71-L74 PolarHBondContact O-N 3.33Å; N71-L74 VanDerWaalsContact O-N 3.14Å; L74-T76 PolarHBondContact O-N 2.95Å; L74-L77 HydrophobicContact CD2-CD1 3.85Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 2.86Å; L74-L77 VanDerWaalsContact O-N 3.11Å; L74-F80 HydrophobicContact CB-CD2 4.32Å; L74-F80 HydrophobicContact CB-CE2 4.43Å; L74-F80 WeakPolarHBondContact O-CB 2.96Å; L74-F80 WeakPolarHBondContact O-CD2 3.28Å
75M85.9Confident87.2Confident57 Ų5770.3 Ų70.328%0.28135%0.349SS..Hα-helixtrans-64.8-26.1177.8-69.2178.172.500113.3N71 V72 H73 L77 F80 D102 F103N71-M75 WeakPolarHBondContact O-CG 3.46Å; N71-M75 PolarHBondContact O-N 2.85Å; V72-M75 PolarHBondContact O-N 2.94Å; H73-M75 VanDerWaalsContact C-N 3.27Å; H73-M75 PolarHBondContact O-N 3.09Å; M75-L77 VanDerWaalsContact C-N 3.3Å; M75-F80 HydrophobicContact CB-CE1 4.47Å; M75-F80 HydrophobicContact CG-CD1 4.45Å; M75-F80 HydrophobicContact CG-CE1 3.9Å; M75-F80 HydrophobicContact CG-CE2 4.1Å; M75-F80 HydrophobicContact CG-CZ 3.7Å; M75-D102 HydrophobicContact CE-CB 3.84Å; M75-D102 WeakPolarHBondContact CE-OD1 3.37Å; M75-F103 HydrophobicContact SD-CB 3.45Å; M75-F103 WeakPolarHBondContact SD-CB 3.41Å
76T87.1Confident86.2Confident102 Ų10267.5 Ų67.563%0.62635%0.346SS*.Hα-helixtrans-79.2-12.317664.50000113.6V72 H73 L74V72-T76 WeakPolarHBondContact O-CG2 3.34Å; V72-T76 PolarHBondContact O-N 2.62Å; H73-T76 PolarHBondContact O-N 3.35Å; H73-T76 PolarHBondContact O-OG1 3.03Å; L74-T76 PolarHBondContact O-N 2.95Å
77L87.1Confident84.9Confident50 Ų5067 Ų6726%0.26235%0.345SS..SBendtrans-76.1137.1-177.9-67.4174.8000110.9L23 H73 L74 M75 K79 F80L23-L77 HydrophobicContact CD1-CB 3.55Å; L23-L77 HydrophobicContact CD1-CD1 3.52Å; L23-L77 HydrophobicContact CD1-CG 4.19Å; L23-L77 HydrophobicContact CG-CD1 3.82Å; H73-L77 PolarHBondContact O-N 3.29Å; L74-L77 HydrophobicContact CD2-CD1 3.85Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 2.86Å; L74-L77 VanDerWaalsContact O-N 3.11Å; M75-L77 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 3.46Å; L77-F80 WeakPolarHBondContact O-CB 3.2Å; L77-F80 PolarHBondContact O-N 3.2Å
78P83.2Confident83.6Confident124 Ų12468.5 Ų68.581%0.80535%0.354SS*.THydrogen-bonded Turntrans-64.8-21.3-173.325-34.8000113.8
79K84.3Confident82Confident139 Ų13968.3 Ų68.360%0.60436%0.358SS*.THydrogen-bonded Turntrans-87.4-5.7178.3-67.1-176-179.5-178.10113.4L23 L77 N81 N82 Y83L23-K79 HydrophobicContact CD1-CB 3.86Å; L77-K79 PolarHBondContact O-N 3.46Å; K79-N81 PolarHBondContact O-N 3.44Å; K79-N82 PolarHBondContact O-N 2.75Å; K79-Y83 WeakPolarHBondContact O-CB 3.35Å; K79-Y83 PolarHBondContact O-N 2.93Å
80F83.6Confident80.4Confident41 Ų4171.1 Ų71.118%0.1837%0.37CS..Hα-helixtrans-56.8-49.8-173.3-178.4-103000112.7L23 L74 M75 L77 N82 Y83 I84L23-F80 HydrophobicContact CD2-CD2 4.21Å; L74-F80 HydrophobicContact CB-CD2 4.32Å; L74-F80 HydrophobicContact CB-CE2 4.43Å; L74-F80 WeakPolarHBondContact O-CB 2.96Å; L74-F80 WeakPolarHBondContact O-CD2 3.28Å; M75-F80 HydrophobicContact CB-CE1 4.47Å; M75-F80 HydrophobicContact CG-CD1 4.45Å; M75-F80 HydrophobicContact CG-CE1 3.9Å; M75-F80 HydrophobicContact CG-CE2 4.1Å; M75-F80 HydrophobicContact CG-CZ 3.7Å; L77-F80 WeakPolarHBondContact O-CB 3.2Å; L77-F80 PolarHBondContact O-N 3.2Å; F80-N82 VanDerWaalsContact C-N 3.3Å; F80-N82 PolarHBondContact O-N 3.37Å; F80-Y83 WeakPolarHBondContact O-CB 3.12Å; F80-Y83 PolarHBondContact O-N 3.37Å; F80-Y83 VanDerWaalsContact O-N 3.12Å; F80-I84 HydrophobicContact CD1-CG1 4.32Å; F80-I84 HydrophobicContact CD2-CG1 4.41Å; F80-I84 HydrophobicContact CE1-CG1 3.89Å; F80-I84 HydrophobicContact CE2-CD1 4Å; F80-I84 HydrophobicContact CE2-CG1 4Å; F80-I84 HydrophobicContact CZ-CD1 3.94Å; F80-I84 HydrophobicContact CZ-CG1 3.72Å; F80-I84 WeakPolarHBondContact O-CG1 2.87Å; F80-I84 PolarHBondContact O-N 2.9Å
81N79.3Confident78.7Confident122 Ų12272.2 Ų72.265%0.65238%0.376SS*.Hα-helixtrans-61.5-38.9180-68.7-14.5000112.5K79 K85K79-N81 PolarHBondContact O-N 3.44Å; N81-K85 VanDerWaalsContact O-CB 3.28Å; N81-K85 WeakPolarHBondContact O-CB 3.43Å; N81-K85 PolarHBondContact O-N 3.07Å
82N81.8Confident77Confident116 Ų11678.3 Ų78.362%0.6240%0.404SS*.Hα-helixtrans-69.7-37.4177.3-69.3-14.3000111.5K79 F80 K85 A86K79-N82 PolarHBondContact O-N 2.75Å; F80-N82 VanDerWaalsContact C-N 3.3Å; F80-N82 PolarHBondContact O-N 3.37Å; N82-K85 PolarHBondContact O-N 3.45Å; N82-A86 VanDerWaalsContact O-CB 3.31Å; N82-A86 WeakPolarHBondContact O-CB 3.26Å; N82-A86 PolarHBondContact O-N 3.04Å
83Y81.2Confident75.6Confident33 Ų3383.5 Ų83.513%0.12943%0.429CS..Hα-helixtrans-63.3-49.9177173-102000111.6G22 L23 I25 I27 K79 F80 K85 A86 E87G22-Y83 PolarHBondContact O-OH 2.95Å; L23-Y83 HydrophobicContact CB-CD2 4.45Å; L23-Y83 HydrophobicContact CD2-CD1 3.64Å; L23-Y83 HydrophobicContact CD2-CD2 4.37Å; L23-Y83 HydrophobicContact CD2-CE1 4.04Å; L23-Y83 HydrophobicContact CD2-CG 3.8Å; I25-Y83 WeakPolarHBondContact O-CE2 3.1Å; I25-Y83 VanDerWaalsContact O-CZ 3.3Å; I25-Y83 PolarHBondContact O-OH 2.91Å; I27-Y83 WeakPolarHBondContact CA-OH 3.28Å; I27-Y83 HydrophobicContact CD1-CD1 4.24Å; I27-Y83 HydrophobicContact CD1-CE1 3.74Å; I27-Y83 HydrophobicContact CG1-CD1 4.27Å; I27-Y83 HydrophobicContact CG1-CE1 3.34Å; I27-Y83 HydrophobicContact CG1-CE2 4.35Å; I27-Y83 VanDerWaalsContact CG1-OH 3.25Å; I27-Y83 WeakPolarHBondContact CG1-OH 3.36Å; I27-Y83 PolarHBondContact N-OH 3.13Å; K79-Y83 WeakPolarHBondContact O-CB 3.35Å; K79-Y83 PolarHBondContact O-N 2.93Å; F80-Y83 WeakPolarHBondContact O-CB 3.12Å; F80-Y83 PolarHBondContact O-N 3.37Å; F80-Y83 VanDerWaalsContact O-N 3.12Å; Y83-K85 VanDerWaalsContact C-N 3.35Å; Y83-K85 PolarHBondContact O-N 3.16Å; Y83-A86 PolarHBondContact O-N 3.37Å; Y83-E87 PolarHBondContact O-N 3.02Å; Y83-E87 VanDerWaalsContact O-N 3.1Å
84I77.1Confident73.8Confident27 Ų2785.1 Ų85.114%0.13844%0.44CS..Hα-helixtrans-61.2-44.3175.4-61.8-56.6000111I27 F80 A86 E87 M88I27-I84 HydrophobicContact CD1-CD1 3.64Å; F80-I84 HydrophobicContact CD1-CG1 4.32Å; F80-I84 HydrophobicContact CD2-CG1 4.41Å; F80-I84 HydrophobicContact CE1-CG1 3.89Å; F80-I84 HydrophobicContact CE2-CD1 4Å; F80-I84 HydrophobicContact CE2-CG1 4Å; F80-I84 HydrophobicContact CZ-CD1 3.94Å; F80-I84 HydrophobicContact CZ-CG1 3.72Å; F80-I84 WeakPolarHBondContact O-CG1 2.87Å; F80-I84 PolarHBondContact O-N 2.9Å; I84-A86 VanDerWaalsContact C-N 3.35Å; I84-A86 PolarHBondContact O-N 3.27Å; I84-E87 PolarHBondContact O-N 2.91Å; I84-M88 HydrophobicContact CG2-CE 4.18Å; I84-M88 HydrophobicContact CG2-CG 4.29Å; I84-M88 HydrophobicContact CG2-SD 4.01Å; I84-M88 WeakPolarHBondContact O-CB 3.48Å; I84-M88 VanDerWaalsContact O-CG 3.29Å; I84-M88 WeakPolarHBondContact O-CG 3.33Å; I84-M88 PolarHBondContact O-N 3.08Å
85K75.6Confident71.9Confident127 Ų12792.4 Ų92.455%0.55248%0.478SS*.Hα-helixtrans-64.4-38.4-179.7-160.8-169.1179.3-178.20112.5N81 N82 Y83 M89N81-K85 VanDerWaalsContact O-CB 3.28Å; N81-K85 WeakPolarHBondContact O-CB 3.43Å; N81-K85 PolarHBondContact O-N 3.07Å; N82-K85 PolarHBondContact O-N 3.45Å; Y83-K85 VanDerWaalsContact C-N 3.35Å; Y83-K85 PolarHBondContact O-N 3.16Å; K85-M89 HydrophobicContact CD-CE 3.79Å; K85-M89 VanDerWaalsContact CE-CE 3.49Å; K85-M89 HydrophobicContact CG-CE 3.69Å; K85-M89 WeakPolarHBondContact O-CG 3.34Å; K85-M89 PolarHBondContact O-N 2.79Å
86A75.4Confident70.1Confident50 Ų5093.9 Ų93.941%0.41349%0.49SS..Hα-helixtrans-65.5-45.4177.100000111.3N82 Y83 I84 M89 E90N82-A86 VanDerWaalsContact O-CB 3.31Å; N82-A86 WeakPolarHBondContact O-CB 3.26Å; N82-A86 PolarHBondContact O-N 3.04Å; Y83-A86 PolarHBondContact O-N 3.37Å; I84-A86 VanDerWaalsContact C-N 3.35Å; I84-A86 PolarHBondContact O-N 3.27Å; A86-M89 PolarHBondContact O-N 3.43Å; A86-E90 PolarHBondContact O-N 3.41Å; A86-E90 VanDerWaalsContact O-N 3.13Å
87E70.2Confident68.2Low15 Ų1596 Ų967%0.0750%0.497CS..Hα-helixtrans-68.4-36.5178.5-163.492.8179.900112.1N26 I27 Y83 I84 M89 E90 L91 I98N26-E87 PolarHBondContact ND2-OE1 3.37Å; N26-E87 PolarHBondContact OD1-OE1 3.48Å; I27-E87 HydrophobicContact CB-CG 3.88Å; I27-E87 HydrophobicContact CD1-CB 3.46Å; I27-E87 VanDerWaalsContact CD1-CB 3.46Å; I27-E87 HydrophobicContact CD1-CG 3.61Å; I27-E87 HydrophobicContact CG1-CB 3.93Å; I27-E87 HydrophobicContact CG1-CG 3.71Å; I27-E87 PolarHBondContact N-OE1 2.74Å; I27-E87 PolarHBondContact N-OE2 3.42Å; Y83-E87 PolarHBondContact O-N 3.02Å; Y83-E87 VanDerWaalsContact O-N 3.1Å; I84-E87 PolarHBondContact O-N 2.91Å; E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 3.02Å; E87-E90 PolarHBondContact O-N 3.05Å; E87-L91 HydrophobicContact CG-CD1 4.07Å; E87-L91 WeakPolarHBondContact O-CB 3.48Å; E87-L91 WeakPolarHBondContact O-CG 3.3Å; E87-L91 PolarHBondContact O-N 3.38Å; E87-I98 HydrophobicContact CG-CD1 4.35Å
88M67.5Low66.5Low67 Ų6795.7 Ų95.733%0.3350%0.495SS..Hα-helixtrans-58.5-41.2173.1-78.6175.8153.100112.2I84 L91 E92 I98I84-M88 HydrophobicContact CG2-CE 4.18Å; I84-M88 HydrophobicContact CG2-CG 4.29Å; I84-M88 HydrophobicContact CG2-SD 4.01Å; I84-M88 WeakPolarHBondContact O-CB 3.48Å; I84-M88 VanDerWaalsContact O-CG 3.29Å; I84-M88 WeakPolarHBondContact O-CG 3.33Å; I84-M88 PolarHBondContact O-N 3.08Å; M88-L91 CarbonylContact O-C 3.54Å; M88-L91 PolarHBondContact O-N 2.9Å; M88-E92 PolarHBondContact O-N 2.98Å; M88-E92 VanDerWaalsContact O-N 3.13Å; M88-I98 WeakPolarHBondContact CE-O 3.25Å
89M59.8Low65Low106 Ų10693.5 Ų93.552%0.52248%0.48SS..Hα-helixtrans-67-38.7176.6-70.1-177-144.900112K85 A86 E87 L91 E92K85-M89 HydrophobicContact CD-CE 3.79Å; K85-M89 VanDerWaalsContact CE-CE 3.49Å; K85-M89 HydrophobicContact CG-CE 3.69Å; K85-M89 WeakPolarHBondContact O-CG 3.34Å; K85-M89 PolarHBondContact O-N 2.79Å; A86-M89 PolarHBondContact O-N 3.43Å; E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 3.02Å; M89-L91 PolarHBondContact O-N 2.75Å; M89-E92 PolarHBondContact O-N 3.34Å
90E58.9Low63.4Low141 Ų14191.5 Ų91.566%0.65948%0.483SS*.Hα-helixtrans-65.8-25.7175.2-71.9-172.8-179.900112.3A86 E87A86-E90 PolarHBondContact O-N 3.41Å; A86-E90 VanDerWaalsContact O-N 3.13Å; E87-E90 PolarHBondContact O-N 3.05Å
91L57.8Low62Low34 Ų3495.9 Ų95.918%0.17850%0.502CS..THydrogen-bonded Turntrans-93.7-1.6177.8-67.6169000114.1E87 M88 M89 D93 I94 I98E87-L91 HydrophobicContact CG-CD1 4.07Å; E87-L91 WeakPolarHBondContact O-CB 3.48Å; E87-L91 WeakPolarHBondContact O-CG 3.3Å; E87-L91 PolarHBondContact O-N 3.38Å; M88-L91 CarbonylContact O-C 3.54Å; M88-L91 PolarHBondContact O-N 2.9Å; M89-L91 PolarHBondContact O-N 2.75Å; L91-D93 PolarHBondContact O-N 3.13Å; L91-I94 HydrophobicContact CD2-CB 4.39Å; L91-I94 HydrophobicContact CD2-CD1 4.28Å; L91-I94 CarbonylContact O-C 3.21Å; L91-I94 WeakPolarHBondContact O-CA 3.29Å; L91-I94 PolarHBondContact O-N 3.36Å; L91-I98 HydrophobicContact CD1-CD1 3.28Å; L91-I98 HydrophobicContact CD1-CG1 3.85Å
92E55.4Low61.3Low157 Ų15795.8 Ų95.873%0.73450%0.502SS*.THydrogen-bonded Turntrans-58.2-20.4179-81.1-176.7173.200113.4M88 M89 I94M88-E92 PolarHBondContact O-N 2.98Å; M88-E92 VanDerWaalsContact O-N 3.13Å; M89-E92 PolarHBondContact O-N 3.34Å; E92-I94 VanDerWaalsContact C-N 3.35Å
93D57.6Low60.7Low165 Ų16591.9 Ų91.988%0.88248%0.479SS*.THydrogen-bonded Turntrans-80.1-11.1171.5-74.9-29.8000114.2L91L91-D93 PolarHBondContact O-N 3.13Å
94I52.7Low60.5Low104 Ų10491.3 Ų91.353%0.53348%0.483SS..SBendtrans-128.7111.3179.8-47.8180000108L91 E92 V96L91-I94 HydrophobicContact CD2-CB 4.39Å; L91-I94 HydrophobicContact CD2-CD1 4.28Å; L91-I94 CarbonylContact O-C 3.21Å; L91-I94 WeakPolarHBondContact O-CA 3.29Å; L91-I94 PolarHBondContact O-N 3.36Å; E92-I94 VanDerWaalsContact C-N 3.35Å; I94-V96 HydrophobicContact CG2-CG2 3.83Å; I94-V96 PolarHBondContact O-N 3Å
95D47.7Very low60.8Low163 Ų16397 Ų9787%0.87251%0.508SS*.  trans-60.633.3179.9-81.2-35.1000115.9L97D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact O-N 3.26Å; D95-L97 VanDerWaalsContact O-N 3.09Å
96V49.9Very low61.3Low88 Ų8895.7 Ų95.753%0.53351%0.506SS..  trans-76.489.2162.7-1750000107I94 I98I94-V96 HydrophobicContact CG2-CG2 3.83Å; I94-V96 PolarHBondContact O-N 3Å; V96-I98 HydrophobicContact CG1-CG1 4.16Å; V96-I98 PolarHBondContact O-N 3.47Å
97L46.4Very low61.8Low148 Ų14896.1 Ų96.178%0.77550%0.5SS*.  trans-58.888.1163.1-106.9118.1000108.4D95 T99D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact O-N 3.26Å; D95-L97 VanDerWaalsContact O-N 3.09Å; L97-T99 HydrophobicContact CD2-CG2 4.35Å; L97-T99 PolarHBondContact O-N 3.41Å
98I51.8Low62.7Low42 Ų4297 Ų9722%0.21551%0.505CS..  trans-66.396158.7-59.7-174.1000103.8I27 E87 M88 L91 V96 S100I27-I98 HydrophobicContact CD1-CD1 4.23Å; I27-I98 HydrophobicContact CG2-CD1 4.31Å; E87-I98 HydrophobicContact CG-CD1 4.35Å; M88-I98 WeakPolarHBondContact CE-O 3.25Å; L91-I98 HydrophobicContact CD1-CD1 3.28Å; L91-I98 HydrophobicContact CD1-CG1 3.85Å; V96-I98 HydrophobicContact CG1-CG1 4.16Å; V96-I98 PolarHBondContact O-N 3.47Å; I98-S100 PolarHBondContact O-N 3.02Å
99T50.9Low63.9Low78 Ų7897.4 Ų97.448%0.47951%0.508SS..  trans-64.113317756.40000107.8L97 K101L97-T99 HydrophobicContact CD2-CG2 4.35Å; L97-T99 PolarHBondContact O-N 3.41Å; T99-K101 PolarHBondContact O-N 2.71Å; T99-K101 WeakPolarHBondContact OG1-CB 3.42Å
100S51.5Low65.5Low98 Ų9898.5 Ų98.569%0.68551%0.51SS*.  trans-67.218167.668.70000112.7I98 D102I98-S100 PolarHBondContact O-N 3.02Å; S100-D102 PolarHBondContact O-N 3.26Å
101K53.7Low67.1Low132 Ų13291.9 Ų91.957%0.57448%0.479SS*.  trans-63.5128.8178.7-160.6-178.8179.4-165.70105.9T99 F103 D106T99-K101 PolarHBondContact O-N 2.71Å; T99-K101 WeakPolarHBondContact OG1-CB 3.42Å; K101-F103 PolarHBondContact O-N 3.36Å; K101-D106 IonicContact NZ-OD2 3.4Å; K101-D106 PolarHBondContact NZ-OD2 3.22Å
102D64.5Low68.9Low120 Ų12092.1 Ų92.164%0.64248%0.482SS*.  trans-50.2137.4175.1-70.5-43.1000109.4M75 S100 G104M75-D102 HydrophobicContact CE-CB 3.84Å; M75-D102 WeakPolarHBondContact CE-OD1 3.37Å; S100-D102 PolarHBondContact O-N 3.26Å; D102-G104 PolarHBondContact O-N 2.74Å; D102-G104 VanDerWaalsContact O-N 3.08Å
103F70Confident70.9Confident34 Ų3489.4 Ų89.415%0.14947%0.472CS..SBendtrans-44.8120.2177.8171.9-100.3000110.1Y67 Y68 N71 M75 K101 E107 I108Y67-F103 HydrophobicContact CD1-CE2 4.25Å; Y67-F103 HydrophobicContact CD1-CZ 4.11Å; Y67-F103 AromaticContact CE1-CE2 3.56Å; Y67-F103 HydrophobicContact CE1-CE2 3.56Å; Y67-F103 AromaticContact CE1-CZ 3.85Å; Y67-F103 HydrophobicContact CE1-CZ 3.85Å; Y67-F103 AromaticContact CZ-CE2 3.77Å; Y68-F103 AromaticContact CD2-CE1 3.68Å; Y68-F103 HydrophobicContact CD2-CE1 3.68Å; Y68-F103 HydrophobicContact CE2-CE1 4.26Å; Y68-F103 HydrophobicContact CG-CE1 4.45Å; N71-F103 HydrophobicContact CB-CB 4.23Å; N71-F103 HydrophobicContact CB-CD1 3.76Å; N71-F103 HydrophobicContact CB-CD2 3.48Å; N71-F103 VanDerWaalsContact CB-CD2 3.48Å; N71-F103 HydrophobicContact CB-CE1 3.9Å; N71-F103 HydrophobicContact CB-CE2 3.69Å; N71-F103 HydrophobicContact CB-CG 3.54Å; N71-F103 HydrophobicContact CB-CZ 3.88Å; N71-F103 VanDerWaalsContact CG-CD2 3.41Å; N71-F103 VanDerWaalsContact ND2-CE2 3.26Å; N71-F103 WeakPolarHBondContact ND2-CE2 3.44Å; M75-F103 HydrophobicContact SD-CB 3.45Å; M75-F103 WeakPolarHBondContact SD-CB 3.41Å; K101-F103 PolarHBondContact O-N 3.36Å; F103-E107 WeakPolarHBondContact CA-OE2 3.31Å; F103-E107 HydrophobicContact CD2-CB 4.27Å; F103-E107 WeakPolarHBondContact CD2-OE2 2.77Å; F103-E107 HydrophobicContact CE2-CB 3.94Å; F103-E107 WeakPolarHBondContact CG-OE2 3.49Å; F103-I108 HydrophobicContact CE1-CD1 4.02Å; F103-I108 HydrophobicContact CE1-CG1 3.99Å; F103-I108 HydrophobicContact CE2-CG1 4.46Å; F103-I108 HydrophobicContact CZ-CD1 4.15Å; F103-I108 HydrophobicContact CZ-CG1 3.58Å
104G76.6Confident72.7Confident21 Ų2184.4 Ų84.422%0.21644%0.441CS..  trans-121.3169.9-161.600000113.7D102 D106 E107D102-G104 PolarHBondContact O-N 2.74Å; D102-G104 VanDerWaalsContact O-N 3.08Å; G104-D106 PolarHBondContact O-N 3.5Å; G104-E107 PolarHBondContact N-OE2 3.13Å; G104-E107 PolarHBondContact O-N 3.38Å
105F83.1Confident74.8Confident147 Ų14779.5 Ų79.565%0.64542%0.416SS*.Hα-helixtrans-58.5-31.5175-178.6-101.9000112.7E107 I108 L109F105-E107 VanDerWaalsContact C-N 3.3Å; F105-E107 PolarHBondContact O-N 3.05Å; F105-I108 PolarHBondContact O-N 3.44Å; F105-L109 HydrophobicContact CE1-CB 4.27Å; F105-L109 HydrophobicContact CE1-CD2 4.21Å; F105-L109 WeakPolarHBondContact O-CB 3.34Å; F105-L109 PolarHBondContact O-N 3.48Å
106D87Confident77.1Confident99 Ų9975.2 Ų75.253%0.52939%0.393SS..Hα-helixtrans-59.9-38.5-179.8-58.8-29.8000112.1K101 G104 F110K101-D106 IonicContact NZ-OD2 3.4Å; K101-D106 PolarHBondContact NZ-OD2 3.22Å; G104-D106 PolarHBondContact O-N 3.5Å; D106-F110 WeakPolarHBondContact O-CB 3.22Å; D106-F110 PolarHBondContact O-N 2.82Å
107E85.6Confident79.4Confident59 Ų5976.5 Ų76.528%0.27640%0.396SS..Hα-helixtrans-73.8-40.1-179.9-68.1134.6-163.300111.9F103 G104 F105 L109 F110 Y111F103-E107 WeakPolarHBondContact CA-OE2 3.31Å; F103-E107 HydrophobicContact CD2-CB 4.27Å; F103-E107 WeakPolarHBondContact CD2-OE2 2.77Å; F103-E107 HydrophobicContact CE2-CB 3.94Å; F103-E107 WeakPolarHBondContact CG-OE2 3.49Å; G104-E107 PolarHBondContact N-OE2 3.13Å; G104-E107 PolarHBondContact O-N 3.38Å; F105-E107 VanDerWaalsContact C-N 3.3Å; F105-E107 PolarHBondContact O-N 3.05Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-F110 PolarHBondContact O-N 3.36Å; E107-Y111 WeakPolarHBondContact O-CB 3.21Å; E107-Y111 PolarHBondContact O-N 3.35Å
108I89.4Confident81.7Confident34 Ų3471.6 Ų71.617%0.17437%0.37CS..Hα-helixtrans-61.5-48.3173-57.8171.3000109.1Y68 F103 F105 F110 Y111 T112Y68-I108 HydrophobicContact CD2-CD1 3.66Å; Y68-I108 HydrophobicContact CE2-CD1 4.35Å; F103-I108 HydrophobicContact CE1-CD1 4.02Å; F103-I108 HydrophobicContact CE1-CG1 3.99Å; F103-I108 HydrophobicContact CE2-CG1 4.46Å; F103-I108 HydrophobicContact CZ-CD1 4.15Å; F103-I108 HydrophobicContact CZ-CG1 3.58Å; F105-I108 PolarHBondContact O-N 3.44Å; I108-F110 VanDerWaalsContact C-N 3.33Å; I108-F110 PolarHBondContact O-N 2.86Å; I108-Y111 PolarHBondContact O-N 3.4Å; I108-Y111 VanDerWaalsContact O-N 3.13Å; I108-T112 PolarHBondContact O-N 2.92Å; I108-T112 PolarHBondContact O-OG1 3.36Å
109L91.7Very high83.8Confident75 Ų7569.9 Ų69.939%0.39336%0.361SS..Hα-helixtrans-58.6-45.1179.2179.362.5000111.5F105 E107 Y111 T112 L113F105-L109 HydrophobicContact CE1-CB 4.27Å; F105-L109 HydrophobicContact CE1-CD2 4.21Å; F105-L109 WeakPolarHBondContact O-CB 3.34Å; F105-L109 PolarHBondContact O-N 3.48Å; E107-L109 VanDerWaalsContact C-N 3.34Å; L109-Y111 VanDerWaalsContact C-N 3.34Å; L109-Y111 PolarHBondContact O-N 2.98Å; L109-T112 PolarHBondContact O-N 3.32Å; L109-L113 HydrophobicContact CD1-CD1 4.3Å; L109-L113 HydrophobicContact CD1-CG 4.34Å; L109-L113 HydrophobicContact CG-CD1 4.23Å; L109-L113 WeakPolarHBondContact O-CB 3.36Å; L109-L113 VanDerWaalsContact O-CG 3.28Å; L109-L113 WeakPolarHBondContact O-CG 3.15Å; L109-L113 PolarHBondContact O-N 2.84Å
110F92.7Very high85.9Confident129 Ų12969.5 Ų69.557%0.56636%0.355SS*.Hα-helixtrans-57.3-48.6174.9173.8-96.6000111.3L35 D106 E107 I108 L113 Y114L35-F110 HydrophobicContact CD2-CE1 4.41Å; D106-F110 WeakPolarHBondContact O-CB 3.22Å; D106-F110 PolarHBondContact O-N 2.82Å; E107-F110 PolarHBondContact O-N 3.36Å; I108-F110 VanDerWaalsContact C-N 3.33Å; I108-F110 PolarHBondContact O-N 2.86Å; F110-L113 PolarHBondContact O-N 3.3Å; F110-Y114 WeakPolarHBondContact O-CB 3.29Å; F110-Y114 PolarHBondContact O-N 2.86Å
111Y93.3Very high88Confident2 Ų268.5 Ų68.51%0.00835%0.345CS..Hα-helixtrans-67.3-40.2-177.5-166.2-134.3000112.4F15 V34 L35 I63 Y67 E107 I108 L109 L113 Y114 L115F15-Y111 HydrophobicContact CZ-CE1 4.4Å; V34-Y111 HydrophobicContact CG1-CE2 4.42Å; V34-Y111 PolarHBondContact O-OH 2.84Å; L35-Y111 HydrophobicContact CD2-CD2 3.76Å; L35-Y111 HydrophobicContact CD2-CE2 3.83Å; I63-Y111 HydrophobicContact CG2-CE1 3.45Å; I63-Y111 VanDerWaalsContact CG2-CE1 3.45Å; I63-Y111 VanDerWaalsContact CG2-OH 3.23Å; I63-Y111 WeakPolarHBondContact CG2-OH 3.36Å; Y67-Y111 AromaticContact CD1-CD1 3.54Å; Y67-Y111 HydrophobicContact CD1-CD1 3.54Å; Y67-Y111 HydrophobicContact CD1-CE1 4.19Å; Y67-Y111 HydrophobicContact CD1-CG 4.17Å; Y67-Y111 HydrophobicContact CD2-CD1 4.48Å; Y67-Y111 HydrophobicContact CD2-CE1 4.43Å; Y67-Y111 HydrophobicContact CE1-CD1 4.18Å; Y67-Y111 HydrophobicContact CE1-CG 4.36Å; Y67-Y111 AromaticContact CG-CD1 3.71Å; Y67-Y111 HydrophobicContact CG-CD1 3.71Å; Y67-Y111 AromaticContact CG-CE1 3.87Å; Y67-Y111 HydrophobicContact CG-CE1 3.87Å; E107-Y111 WeakPolarHBondContact O-CB 3.21Å; E107-Y111 PolarHBondContact O-N 3.35Å; I108-Y111 PolarHBondContact O-N 3.4Å; I108-Y111 VanDerWaalsContact O-N 3.13Å; L109-Y111 VanDerWaalsContact C-N 3.34Å; L109-Y111 PolarHBondContact O-N 2.98Å; Y111-L113 PolarHBondContact O-N 3.14Å; Y111-Y114 AromaticContact CD2-CD1 3.81Å; Y111-Y114 HydrophobicContact CD2-CD1 3.81Å; Y111-Y114 HydrophobicContact CD2-CE1 4.46Å; Y111-Y114 AromaticContact CE2-CD1 3.86Å; Y111-Y114 HydrophobicContact CE2-CD1 3.86Å; Y111-Y114 HydrophobicContact CE2-CE1 4.11Å; Y111-Y114 WeakPolarHBondContact O-CB 3.44Å; Y111-Y114 PolarHBondContact O-N 3.36Å; Y111-L115 HydrophobicContact CD1-CD1 4.06Å; Y111-L115 HydrophobicContact CD2-CG 4.44Å; Y111-L115 HydrophobicContact CE1-CD1 3.95Å; Y111-L115 HydrophobicContact CE2-CD1 4.46Å; Y111-L115 HydrophobicContact CE2-CD2 4.29Å; Y111-L115 HydrophobicContact CE2-CG 4.23Å; Y111-L115 HydrophobicContact CG-CD1 4.41Å; Y111-L115 VanDerWaalsContact O-CG 3.3Å; Y111-L115 WeakPolarHBondContact O-CG 3.45Å; Y111-L115 PolarHBondContact O-N 3Å
112T95.8Very high90Very high39 Ų3963.4 Ų63.424%0.23932%0.324CS..Hα-helixtrans-58.1-47.7172.7-570000111.1I60 D64 I108 L109 Y114 L115 L116I60-T112 HydrophobicContact CG2-CG2 3.95Å; D64-T112 VanDerWaalsContact CG-OG1 3.25Å; D64-T112 WeakPolarHBondContact OD2-CB 3.27Å; D64-T112 PolarHBondContact OD2-OG1 3.3Å; I108-T112 PolarHBondContact O-N 2.92Å; I108-T112 PolarHBondContact O-OG1 3.36Å; L109-T112 PolarHBondContact O-N 3.32Å; T112-Y114 VanDerWaalsContact C-N 3.35Å; T112-Y114 PolarHBondContact O-N 2.86Å; T112-L115 PolarHBondContact O-N 3.28Å; T112-L116 WeakPolarHBondContact O-CB 3.06Å; T112-L116 PolarHBondContact O-N 2.98Å
113L96.8Very high91.5Very high100 Ų10060.8 Ų60.852%0.52431%0.306SS..Hα-helixtrans-64.4-40.3179.1-71.3174.4000111.8L109 F110 Y111 L116 L117L109-L113 HydrophobicContact CD1-CD1 4.3Å; L109-L113 HydrophobicContact CD1-CG 4.34Å; L109-L113 HydrophobicContact CG-CD1 4.23Å; L109-L113 WeakPolarHBondContact O-CB 3.36Å; L109-L113 VanDerWaalsContact O-CG 3.28Å; L109-L113 WeakPolarHBondContact O-CG 3.15Å; L109-L113 PolarHBondContact O-N 2.84Å; F110-L113 PolarHBondContact O-N 3.3Å; Y111-L113 PolarHBondContact O-N 3.14Å; L113-L116 PolarHBondContact O-N 3.37Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.22Å
114Y95.6Very high92.7Very high61 Ų6165.8 Ų65.824%0.23933%0.325CS..Hα-helixtrans-60.9-49.5175.5169.4-106.3000111.9L35 I39 F110 Y111 T112 L117 I118L35-Y114 HydrophobicContact CB-CE1 4.12Å; L35-Y114 HydrophobicContact CD2-CD1 3.95Å; L35-Y114 HydrophobicContact CD2-CE1 3.77Å; L35-Y114 WeakPolarHBondContact O-CE1 3.34Å; L35-Y114 PolarHBondContact O-OH 3.48Å; I39-Y114 HydrophobicContact CD1-CD1 3.75Å; I39-Y114 HydrophobicContact CD1-CE1 3.08Å; I39-Y114 HydrophobicContact CD1-CE2 4.3Å; I39-Y114 HydrophobicContact CG1-CE1 3.97Å; F110-Y114 WeakPolarHBondContact O-CB 3.29Å; F110-Y114 PolarHBondContact O-N 2.86Å; Y111-Y114 AromaticContact CD2-CD1 3.81Å; Y111-Y114 HydrophobicContact CD2-CD1 3.81Å; Y111-Y114 HydrophobicContact CD2-CE1 4.46Å; Y111-Y114 AromaticContact CE2-CD1 3.86Å; Y111-Y114 HydrophobicContact CE2-CD1 3.86Å; Y111-Y114 HydrophobicContact CE2-CE1 4.11Å; Y111-Y114 WeakPolarHBondContact O-CB 3.44Å; Y111-Y114 PolarHBondContact O-N 3.36Å; T112-Y114 VanDerWaalsContact C-N 3.35Å; T112-Y114 PolarHBondContact O-N 2.86Å; Y114-L117 PolarHBondContact O-N 3.13Å; Y114-I118 HydrophobicContact CD2-CD1 3.84Å; Y114-I118 HydrophobicContact CE1-CD1 4.19Å; Y114-I118 HydrophobicContact CE2-CD1 3.31Å; Y114-I118 HydrophobicContact CG-CD1 4.45Å; Y114-I118 PolarHBondContact O-N 3.28Å
115L96.5Very high93.6Very high1 Ų168.4 Ų68.41%0.00533%0.333CS..Hα-helixtrans-61.7-44.9176-69.1169.5000111.6I39 I60 I63 D64 Y111 T112 I118 L119I39-L115 HydrophobicContact CD1-CD2 3.94Å; I39-L115 HydrophobicContact CG1-CD2 3.7Å; I60-L115 HydrophobicContact CG1-CB 4.22Å; I63-L115 HydrophobicContact CB-CD1 3.99Å; I63-L115 HydrophobicContact CD1-CD2 4.31Å; I63-L115 HydrophobicContact CG2-CD1 3.59Å; I63-L115 HydrophobicContact CG2-CD2 4.15Å; D64-L115 WeakPolarHBondContact OD1-CD1 3.37Å; Y111-L115 HydrophobicContact CD1-CD1 4.06Å; Y111-L115 HydrophobicContact CD2-CG 4.44Å; Y111-L115 HydrophobicContact CE1-CD1 3.95Å; Y111-L115 HydrophobicContact CE2-CD1 4.46Å; Y111-L115 HydrophobicContact CE2-CD2 4.29Å; Y111-L115 HydrophobicContact CE2-CG 4.23Å; Y111-L115 HydrophobicContact CG-CD1 4.41Å; Y111-L115 VanDerWaalsContact O-CG 3.3Å; Y111-L115 WeakPolarHBondContact O-CG 3.45Å; Y111-L115 PolarHBondContact O-N 3Å; T112-L115 PolarHBondContact O-N 3.28Å; L115-I118 PolarHBondContact O-N 3.19Å; L115-L119 VanDerWaalsContact O-CB 3.29Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.2Å; L115-L119 PolarHBondContact O-N 2.64Å
116L96.5Very high94Very high72 Ų7261.8 Ų61.838%0.37730%0.304SS..Hα-helixtrans-58.7-50.7179.2-175.178000110.8I60 T112 L113 I118 L119 I120I60-L116 HydrophobicContact CD1-CB 4.29Å; I60-L116 HydrophobicContact CD1-CD1 3.73Å; T112-L116 WeakPolarHBondContact O-CB 3.06Å; T112-L116 PolarHBondContact O-N 2.98Å; L113-L116 PolarHBondContact O-N 3.37Å; L116-I118 PolarHBondContact O-N 3.37Å; L116-L119 PolarHBondContact O-N 2.9Å; L116-I120 HydrophobicContact CD1-CD1 3.92Å; L116-I120 HydrophobicContact CD1-CG1 4.46Å; L116-I120 HydrophobicContact CD2-CD1 4.31Å; L116-I120 HydrophobicContact CG-CD1 3.71Å; L116-I120 HydrophobicContact CG-CG1 4.44Å; L116-I120 VanDerWaalsContact O-CB 3.31Å; L116-I120 WeakPolarHBondContact O-CB 3.41Å; L116-I120 WeakPolarHBondContact O-CG1 3.37Å; L116-I120 PolarHBondContact O-N 3.44Å
117L97Very high94.2Very high115 Ų11562 Ų6260%0.60230%0.301SS*.Hα-helixtrans-56.3-51.4-179.3179.664.8000110.9L113 Y114 I120 V121L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.22Å; Y114-L117 PolarHBondContact O-N 3.13Å; L117-I120 PolarHBondContact O-N 3.4Å; L117-V121 VanDerWaalsContact O-CG2 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.35Å; L117-V121 PolarHBondContact O-N 3.34Å
118I96.5Very high94.4Very high46 Ų4665 Ų6524%0.23631%0.314CS..Hα-helixtrans-67.6-45.6-176-69.7168.7000111.2I39 Y114 L115 L116 I120 V121 L122I39-I118 HydrophobicContact CD1-CB 4.08Å; I39-I118 HydrophobicContact CD1-CD1 3.23Å; I39-I118 HydrophobicContact CD1-CG1 4.2Å; I39-I118 HydrophobicContact CD1-CG2 4.16Å; I39-I118 HydrophobicContact CG2-CD1 4.38Å; I39-I118 HydrophobicContact CG2-CG2 3.71Å; Y114-I118 HydrophobicContact CD2-CD1 3.84Å; Y114-I118 HydrophobicContact CE1-CD1 4.19Å; Y114-I118 HydrophobicContact CE2-CD1 3.31Å; Y114-I118 HydrophobicContact CG-CD1 4.45Å; Y114-I118 PolarHBondContact O-N 3.28Å; L115-I118 PolarHBondContact O-N 3.19Å; L116-I118 PolarHBondContact O-N 3.37Å; I118-I120 VanDerWaalsContact C-N 3.31Å; I118-I120 PolarHBondContact O-N 3.1Å; I118-V121 PolarHBondContact O-N 2.91Å; I118-L122 HydrophobicContact CG2-CD1 4.11Å; I118-L122 HydrophobicContact CG2-CG 4.37Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 3.47Å
119L95Very high94Very high5 Ų567.3 Ų67.33%0.02633%0.33CS..Hα-helixtrans-66.8-32.3-179.5-72.1171.5000112.5I56 N59 I60 L115 L116 L122 Y123I56-L119 HydrophobicContact CG1-CB 4.17Å; I56-L119 HydrophobicContact CG2-CB 3.97Å; I56-L119 HydrophobicContact CG2-CD1 4.22Å; N59-L119 HydrophobicContact CB-CD1 4.47Å; I60-L119 HydrophobicContact CD1-CD1 4.29Å; I60-L119 HydrophobicContact CG1-CD1 3.75Å; L115-L119 VanDerWaalsContact O-CB 3.29Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.2Å; L115-L119 PolarHBondContact O-N 2.64Å; L116-L119 PolarHBondContact O-N 2.9Å; L119-L122 HydrophobicContact CD2-CD1 4.32Å; L119-Y123 WeakPolarHBondContact O-CB 3.34Å; L119-Y123 PolarHBondContact O-N 2.93Å
120I95.1Very high93.3Very high70 Ų7068.8 Ų68.836%0.35933%0.333SS..Hα-helixtrans-67.1-45171.7-72.4175.3000110.9L116 L117 I118 L122 Y123 Y124L116-I120 HydrophobicContact CD1-CD1 3.92Å; L116-I120 HydrophobicContact CD1-CG1 4.46Å; L116-I120 HydrophobicContact CD2-CD1 4.31Å; L116-I120 HydrophobicContact CG-CD1 3.71Å; L116-I120 HydrophobicContact CG-CG1 4.44Å; L116-I120 VanDerWaalsContact O-CB 3.31Å; L116-I120 WeakPolarHBondContact O-CB 3.41Å; L116-I120 WeakPolarHBondContact O-CG1 3.37Å; L116-I120 PolarHBondContact O-N 3.44Å; L117-I120 PolarHBondContact O-N 3.4Å; I118-I120 VanDerWaalsContact C-N 3.31Å; I118-I120 PolarHBondContact O-N 3.1Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.03Å; I120-Y123 WeakPolarHBondContact O-CB 3.45Å; I120-Y123 PolarHBondContact O-N 3.48Å; I120-Y123 VanDerWaalsContact O-N 3.14Å; I120-Y124 HydrophobicContact CG2-CD2 3.8Å; I120-Y124 HydrophobicContact CG2-CE2 3.62Å; I120-Y124 VanDerWaalsContact O-CD2 3.27Å; I120-Y124 WeakPolarHBondContact O-CD2 3.35Å; I120-Y124 PolarHBondContact O-N 3.37Å
121V96.4Very high92.1Very high77 Ų7769.4 Ų69.447%0.46734%0.338SS..Hα-helixtrans-58-46.4175.6169.40000110.2L117 I118 Y123 Y124 L125L117-V121 VanDerWaalsContact O-CG2 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.35Å; L117-V121 PolarHBondContact O-N 3.34Å; I118-V121 PolarHBondContact O-N 2.91Å; V121-Y123 VanDerWaalsContact C-N 3.31Å; V121-Y123 PolarHBondContact O-N 3.45Å; V121-Y124 PolarHBondContact O-N 2.83Å; V121-L125 HydrophobicContact CG1-CD1 3.95Å; V121-L125 HydrophobicContact CG1-CG 4.36Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 2.73Å
122L95.2Very high90.7Very high26 Ų2678.2 Ų78.214%0.13638%0.376CS..Hα-helixtrans-60.5-39.1176-68.7177.5000112.5F46 F47 I118 L119 I120 Y124 L125 K126F46-L122 HydrophobicContact CD1-CB 3.92Å; F46-L122 HydrophobicContact CE1-CB 4.08Å; F46-L122 WeakPolarHBondContact CE1-O 3.4Å; F47-L122 HydrophobicContact CE2-CD2 3.8Å; F47-L122 HydrophobicContact CZ-CD2 3.98Å; I118-L122 HydrophobicContact CG2-CD1 4.11Å; I118-L122 HydrophobicContact CG2-CG 4.37Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 3.47Å; L119-L122 HydrophobicContact CD2-CD1 4.32Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.03Å; L122-Y124 PolarHBondContact O-N 3.16Å; L122-L125 HydrophobicContact CD2-CD1 4.33Å; L122-L125 PolarHBondContact O-N 3.07Å; L122-K126 WeakPolarHBondContact O-CB 3.31Å; L122-K126 PolarHBondContact O-N 3.38Å
123Y96.2Very high88.8Confident65 Ų6585.5 Ų85.526%0.25541%0.411SS..Hα-helixtrans-57.8-47.8174.4175.8-102.6000112.2F46 D52 I56 L119 I120 V121 K126 K127F46-Y123 HydrophobicContact CZ-CD2 4.07Å; D52-Y123 HydrophobicContact CB-CD2 3.89Å; D52-Y123 HydrophobicContact CB-CE2 3.88Å; I56-Y123 HydrophobicContact CD1-CD2 4.28Å; I56-Y123 HydrophobicContact CD1-CG 4.35Å; L119-Y123 WeakPolarHBondContact O-CB 3.34Å; L119-Y123 PolarHBondContact O-N 2.93Å; I120-Y123 WeakPolarHBondContact O-CB 3.45Å; I120-Y123 PolarHBondContact O-N 3.48Å; I120-Y123 VanDerWaalsContact O-N 3.14Å; V121-Y123 VanDerWaalsContact C-N 3.31Å; V121-Y123 PolarHBondContact O-N 3.45Å; Y123-K126 PolarHBondContact O-N 3.04Å; Y123-K127 PolarHBondContact O-N 3.27Å; Y123-K127 VanDerWaalsContact O-N 3.08Å
124Y95.1Very high88.4Confident139 Ų13984.8 Ų84.855%0.54541%0.406SS..Hα-helixtrans-66.1-42.8177.3-78.2-70.6000112.4I120 V121 L122 K126 K127 Q128I120-Y124 HydrophobicContact CG2-CD2 3.8Å; I120-Y124 HydrophobicContact CG2-CE2 3.62Å; I120-Y124 VanDerWaalsContact O-CD2 3.27Å; I120-Y124 WeakPolarHBondContact O-CD2 3.35Å; I120-Y124 PolarHBondContact O-N 3.37Å; V121-Y124 PolarHBondContact O-N 2.83Å; L122-Y124 PolarHBondContact O-N 3.16Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 3.34Å; Y124-K127 PolarHBondContact O-N 2.8Å; Y124-Q128 WeakPolarHBondContact O-CG 3.28Å; Y124-Q128 PolarHBondContact O-N 3.28Å
125L94.1Very high88Confident76 Ų7686 Ų8640%0.39841%0.414SS..Hα-helixtrans-58.1-46.1176.2-72.3173.3000111.3F47 V121 L122 K127 Q128 V129F47-L125 HydrophobicContact CZ-CB 4.49Å; V121-L125 HydrophobicContact CG1-CD1 3.95Å; V121-L125 HydrophobicContact CG1-CG 4.36Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 2.73Å; L122-L125 HydrophobicContact CD2-CD1 4.33Å; L122-L125 PolarHBondContact O-N 3.07Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.31Å; L125-Q128 PolarHBondContact O-N 3.31Å; L125-V129 WeakPolarHBondContact O-CG2 3.38Å; L125-V129 PolarHBondContact O-N 2.66Å
126K92.7Very high87.5Confident7 Ų790.7 Ų90.73%0.0344%0.437CS..Hα-helixtrans-61.4-40.3177.2-174.6178.4-176179.40112.4F46 F47 T49 D52 L122 Y123 Y124 V129 K130F46-K126 HydrophobicContact CD1-CD 4.16Å; F46-K126 HydrophobicContact CE1-CB 3.92Å; F46-K126 HydrophobicContact CE1-CD 3.58Å; F46-K126 HydrophobicContact CE1-CG 4.43Å; F46-K126 HydrophobicContact CZ-CD 3.97Å; F46-K126 PolarHBondContact O-NZ 3.31Å; F47-K126 HydrophobicContact CD1-CB 4.04Å; F47-K126 HydrophobicContact CD1-CD 4.4Å; F47-K126 HydrophobicContact CD1-CG 4.07Å; F47-K126 HydrophobicContact CE1-CB 3.81Å; F47-K126 HydrophobicContact CE1-CG 4.34Å; T49-K126 PolarHBondContact O-NZ 3.39Å; D52-K126 IonicContact OD1-NZ 2.68Å; D52-K126 PolarHBondContact OD1-NZ 3.21Å; D52-K126 IonicContact OD2-NZ 3.79Å; L122-K126 WeakPolarHBondContact O-CB 3.31Å; L122-K126 PolarHBondContact O-N 3.38Å; Y123-K126 PolarHBondContact O-N 3.04Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 3.34Å; K126-V129 PolarHBondContact O-N 3.49Å; K126-K130 PolarHBondContact O-N 2.89Å; K126-K130 VanDerWaalsContact O-N 3.09Å
127K90.2Very high87Confident105 Ų10591.8 Ų91.846%0.45744%0.441SS..Hα-helixtrans-63.7-42.1176.9-169.8179.3177.9-175.30111.5Y123 Y124 L125 K130 H131Y123-K127 PolarHBondContact O-N 3.27Å; Y123-K127 VanDerWaalsContact O-N 3.08Å; Y124-K127 PolarHBondContact O-N 2.8Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.31Å; K127-K130 PolarHBondContact O-N 3.04Å; K127-H131 PolarHBondContact O-CD2 3.4Å; K127-H131 PolarHBondContact O-N 3.19Å; K127-H131 VanDerWaalsContact O-N 3.17Å
128Q89.7Confident86.4Confident121 Ų12190.4 Ų90.457%0.56543%0.431SS*.Hα-helixtrans-63.1-41.3176.5-70.9-177.2-1.900112.4Y124 L125 K130 H131 K132Y124-Q128 WeakPolarHBondContact O-CG 3.28Å; Y124-Q128 PolarHBondContact O-N 3.28Å; L125-Q128 PolarHBondContact O-N 3.31Å; Q128-K130 VanDerWaalsContact C-N 3.33Å; Q128-K130 PolarHBondContact O-N 3.43Å; Q128-H131 PolarHBondContact O-N 3.11Å; Q128-K132 PolarHBondContact O-N 2.98Å
129V82.6Confident85.7Confident83 Ų8393.3 Ų93.350%0.50344%0.444SS..Hα-helixtrans-62.8-41.2176.7174.20000111.1L125 K126 H131 K132 I133L125-V129 WeakPolarHBondContact O-CG2 3.38Å; L125-V129 PolarHBondContact O-N 2.66Å; K126-V129 PolarHBondContact O-N 3.49Å; V129-H131 VanDerWaalsContact C-N 3.3Å; V129-H131 PolarHBondContact O-N 3.12Å; V129-K132 PolarHBondContact O-N 3.06Å; V129-I133 HydrophobicContact CG1-CD1 4.31Å
130K75.9Confident85Confident105 Ų10599.6 Ų99.646%0.45747%0.473SS..Hα-helixtrans-67.1-24.8176.8-75.6-175.6175.3-177.20114.4K126 K127 Q128K126-K130 PolarHBondContact O-N 2.89Å; K126-K130 VanDerWaalsContact O-N 3.09Å; K127-K130 PolarHBondContact O-N 3.04Å; Q128-K130 VanDerWaalsContact C-N 3.33Å; Q128-K130 PolarHBondContact O-N 3.43Å
131H67.2Low84.2Confident143 Ų143101.9 Ų101.966%0.66248%0.482SS*.Hα-helixtrans-83.6-15.1176.1-78.5-64.3000113.5K127 Q128 V129K127-H131 PolarHBondContact O-CD2 3.4Å; K127-H131 PolarHBondContact O-N 3.19Å; K127-H131 VanDerWaalsContact O-N 3.17Å; Q128-H131 PolarHBondContact O-N 3.11Å; V129-H131 VanDerWaalsContact C-N 3.3Å; V129-H131 PolarHBondContact O-N 3.12Å
132K65.7Low83.2Confident186 Ų186104 Ų10481%0.80948%0.483SS*.  trans-89.6-11.1178-73.9-174.5177.2-175.90113.6Q128 V129Q128-K132 PolarHBondContact O-N 2.98Å; V129-K132 PolarHBondContact O-N 3.06Å
133I54.2Low82.1Confident192 Ų192111.1 Ų111.199%0.98552%0.515SS*.  trans-107.60178.4-56.1171.8000107.7V129V129-I133 HydrophobicContact CG1-CD1 4.31Å

Retrieved 133 of 133 residues in 522.1 ms (Link to these results)

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