A0A077Z6W9_TRITR Loading...

Mitochondrial uncoupling protein 4

AlphaFold DB , UniProt , Accession A0A077Z6W9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 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
1M52.7Low52.8Low221 Ų221109.8 Ų109.8100%1.08961%0.611SS**  0-51.50-92.2172.2161.800113.6K3 S4 S5M1-K3 PolarHBondContact O-N 2.81Å; M1-S4 WeakPolarHBondContact O-CB 3.1Å; M1-S4 PolarHBondContact O-N 2.77Å; M1-S4 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-N 3.3Å
2A50Low53Low75 Ų75112.2 Ų112.262%0.6261%0.61SS**Hα-helixtrans-60.5-31-176.200000116.6S5 Q6A2-S5 PolarHBondContact O-OG 3.48Å; A2-S5 VanDerWaalsContact O-OG 3.05Å; A2-Q6 PolarHBondContact O-N 2.97Å
3K50Low53.3Low182 Ų182108.5 Ų108.579%0.79160%0.597SS**Hα-helixtrans-70.8-34.9174.6-79.8-175176.4-179.20112.9M1 Q6 V7M1-K3 PolarHBondContact O-N 2.81Å; K3-Q6 PolarHBondContact O-N 3.12Å; K3-V7 WeakPolarHBondContact O-CG2 3.46Å; K3-V7 PolarHBondContact O-N 2.95Å; K3-V7 VanDerWaalsContact O-N 3.14Å
4S52.1Low53.5Low75 Ų75110.4 Ų110.452%0.52459%0.591SS.*Hα-helixtrans-66.6-44.3178-170.30000110.9M1 Q6 V7 E8M1-S4 WeakPolarHBondContact O-CB 3.1Å; M1-S4 PolarHBondContact O-N 2.77Å; M1-S4 VanDerWaalsContact O-N 3.1Å; S4-Q6 VanDerWaalsContact C-N 3.32Å; S4-Q6 PolarHBondContact O-N 3.16Å; S4-V7 PolarHBondContact O-N 3.04Å; S4-E8 PolarHBondContact O-N 2.82Å
5S51.4Low53.9Low66 Ų66112.5 Ų112.546%0.46260%0.596SS.*Hα-helixtrans-69.2-27.9179.8540000113.4M1 A2 S9M1-S5 PolarHBondContact O-N 3.3Å; A2-S5 PolarHBondContact O-OG 3.48Å; A2-S5 VanDerWaalsContact O-OG 3.05Å; S5-S9 VanDerWaalsContact O-CB 3.26Å; S5-S9 WeakPolarHBondContact O-CB 3.35Å; S5-S9 PolarHBondContact O-N 2.82Å; S5-S9 PolarHBondContact O-OG 3.39Å
6Q50Low54.3Low148 Ų148112.2 Ų112.269%0.69260%0.595SS**Hα-helixtrans-75.6-34.6172-78.7-155.8-27.900113.5A2 K3 S4 S9 G10A2-Q6 PolarHBondContact O-N 2.97Å; K3-Q6 PolarHBondContact O-N 3.12Å; S4-Q6 VanDerWaalsContact C-N 3.32Å; S4-Q6 PolarHBondContact O-N 3.16Å; Q6-S9 PolarHBondContact O-OG 3.09Å; Q6-S9 VanDerWaalsContact O-OG 3.12Å; Q6-G10 PolarHBondContact O-N 3.37Å
7V58Low54.5Low89 Ų89106.2 Ų106.254%0.53957%0.565SS.*Hα-helixtrans-69.6-45.6175.1174.80000110.1K3 S4 S9 G10 E11K3-V7 WeakPolarHBondContact O-CG2 3.46Å; K3-V7 PolarHBondContact O-N 2.95Å; K3-V7 VanDerWaalsContact O-N 3.14Å; S4-V7 PolarHBondContact O-N 3.04Å; V7-S9 PolarHBondContact O-N 2.86Å; V7-G10 PolarHBondContact O-N 2.98Å; V7-E11 PolarHBondContact O-N 3.13Å
8E50.9Low55.1Low125 Ų125105.2 Ų105.258%0.58456%0.556SS**Hα-helixtrans-63-39.6175.3-79.8-178.8149.800112.5S4 G10 E11 K12S4-E8 PolarHBondContact O-N 2.82Å; E8-G10 VanDerWaalsContact C-N 3.33Å; E8-E11 PolarHBondContact O-N 3.2Å; E8-K12 VanDerWaalsContact O-CB 3.25Å; E8-K12 WeakPolarHBondContact O-CB 3.32Å; E8-K12 PolarHBondContact O-N 3.15Å
9S53.7Low56.3Low74 Ų74102.5 Ų102.552%0.51755%0.547SS..Hα-helixtrans-67.7-35.6176.374.30000111.9S5 Q6 V7 S13S5-S9 VanDerWaalsContact O-CB 3.26Å; S5-S9 WeakPolarHBondContact O-CB 3.35Å; S5-S9 PolarHBondContact O-N 2.82Å; S5-S9 PolarHBondContact O-OG 3.39Å; Q6-S9 PolarHBondContact O-OG 3.09Å; Q6-S9 VanDerWaalsContact O-OG 3.12Å; V7-S9 PolarHBondContact O-N 2.86Å; S9-S13 VanDerWaalsContact O-CB 3.24Å; S9-S13 WeakPolarHBondContact O-CB 3.44Å; S9-S13 PolarHBondContact O-N 3.48Å
10G54.3Low57.3Low33 Ų33102.3 Ų102.334%0.3454%0.541SS..Hα-helixtrans-66.3-44.5173.200000113.1Q6 V7 E8 S13 R14Q6-G10 PolarHBondContact O-N 3.37Å; V7-G10 PolarHBondContact O-N 2.98Å; E8-G10 VanDerWaalsContact C-N 3.33Å; G10-S13 PolarHBondContact O-N 3.03Å; G10-R14 WeakPolarHBondContact O-CG 3.47Å; G10-R14 PolarHBondContact O-N 3.17Å
11E57.5Low58.5Low120 Ų120101.6 Ų101.656%0.56154%0.541SS*.Hα-helixtrans-65.7-45.1176.4-82.6-177.415200111.6V7 E8 S13 R14 E15V7-E11 PolarHBondContact O-N 3.13Å; E8-E11 PolarHBondContact O-N 3.2Å; E11-S13 VanDerWaalsContact C-N 3.3Å; E11-S13 PolarHBondContact O-N 2.76Å; E11-R14 CarbonylContact O-C 3.56Å; E11-R14 WeakPolarHBondContact O-CA 3.44Å; E11-R14 WeakPolarHBondContact O-CB 3.15Å; E11-R14 PolarHBondContact O-N 3.39Å; E11-E15 PolarHBondContact O-N 3.47Å
12K56Low60Low138 Ų13892.6 Ų92.660%0.650%0.501SS*.Hα-helixtrans-65.8-34.5177.3-155.2170.3-166.7170.50112E8 N16E8-K12 VanDerWaalsContact O-CB 3.25Å; E8-K12 WeakPolarHBondContact O-CB 3.32Å; E8-K12 PolarHBondContact O-N 3.15Å; K12-N16 VanDerWaalsContact O-CB 3.26Å; K12-N16 WeakPolarHBondContact O-CB 3.44Å; K12-N16 PolarHBondContact O-N 3.24Å; K12-N16 PolarHBondContact O-ND2 3.49Å
13S56.2Low61.5Low64 Ų6492.9 Ų92.945%0.44849%0.489SS..Hα-helixtrans-66.8-37.5171-167.70000111.9S9 G10 E11 A17S9-S13 VanDerWaalsContact O-CB 3.24Å; S9-S13 WeakPolarHBondContact O-CB 3.44Å; S9-S13 PolarHBondContact O-N 3.48Å; G10-S13 PolarHBondContact O-N 3.03Å; E11-S13 VanDerWaalsContact C-N 3.3Å; E11-S13 PolarHBondContact O-N 2.76Å; S13-A17 VanDerWaalsContact O-CB 3.24Å; S13-A17 WeakPolarHBondContact O-CB 3.46Å; S13-A17 PolarHBondContact O-N 3.27Å
14R55.8Low63.3Low135 Ų13586.7 Ų86.751%0.50946%0.461SS..Hα-helixtrans-68.1-45.9174.1-79176.990.4171.96112G10 E11 N16 A17 E18G10-R14 WeakPolarHBondContact O-CG 3.47Å; G10-R14 PolarHBondContact O-N 3.17Å; E11-R14 CarbonylContact O-C 3.56Å; E11-R14 WeakPolarHBondContact O-CA 3.44Å; E11-R14 WeakPolarHBondContact O-CB 3.15Å; E11-R14 PolarHBondContact O-N 3.39Å; R14-N16 VanDerWaalsContact C-N 3.31Å; R14-N16 PolarHBondContact O-N 3.44Å; R14-A17 CarbonylContact O-C 3.56Å; R14-A17 PolarHBondContact O-N 2.88Å; R14-E18 WeakPolarHBondContact O-CB 3.39Å; R14-E18 WeakPolarHBondContact O-CG 3.24Å; R14-E18 PolarHBondContact O-N 2.92Å
15E60.7Low65Low143 Ų14387.4 Ų87.467%0.66846%0.458SS*.Hα-helixtrans-58.9-43.6174.1-80-170.5144.600111.3E11 E18 S19E11-E15 PolarHBondContact O-N 3.47Å; E15-E18 CarbonylContact O-C 3.55Å; E15-E18 PolarHBondContact O-N 3.4Å; E15-S19 PolarHBondContact O-N 3.13Å
16N59.2Low66.7Low107 Ų10784.9 Ų84.957%0.57244%0.44SS*.Hα-helixtrans-64.7-40.6175.5-77.2-17.8000112.2K12 R14 E18 S19 A22K12-N16 VanDerWaalsContact O-CB 3.26Å; K12-N16 WeakPolarHBondContact O-CB 3.44Å; K12-N16 PolarHBondContact O-N 3.24Å; K12-N16 PolarHBondContact O-ND2 3.49Å; R14-N16 VanDerWaalsContact C-N 3.31Å; R14-N16 PolarHBondContact O-N 3.44Å; N16-E18 VanDerWaalsContact C-N 3.27Å; N16-E18 PolarHBondContact O-N 2.88Å; N16-S19 WeakPolarHBondContact O-CB 3.33Å; N16-S19 PolarHBondContact O-N 3.18Å; N16-A22 VanDerWaalsContact O-CB 3.23Å; N16-A22 WeakPolarHBondContact O-CB 3.21Å
17A57.7Low68.5Low11 Ų1178.8 Ų78.89%0.09141%0.413CS..Hα-helixtrans-69-27.2176.100000112.4S13 R14 A319S13-A17 VanDerWaalsContact O-CB 3.24Å; S13-A17 WeakPolarHBondContact O-CB 3.46Å; S13-A17 PolarHBondContact O-N 3.27Å; R14-A17 CarbonylContact O-C 3.56Å; R14-A17 PolarHBondContact O-N 2.88Å; A17-A319 HydrophobicContact CB-CB 4.18Å
18E66.2Low70.1Confident87 Ų8774.6 Ų74.641%0.40739%0.388SS..Hα-helixtrans-86.6-9175.1-72.4-168-169.700114R14 E15 N16 K23R14-E18 WeakPolarHBondContact O-CB 3.39Å; R14-E18 WeakPolarHBondContact O-CG 3.24Å; R14-E18 PolarHBondContact O-N 2.92Å; E15-E18 CarbonylContact O-C 3.55Å; E15-E18 PolarHBondContact O-N 3.4Å; N16-E18 VanDerWaalsContact C-N 3.27Å; N16-E18 PolarHBondContact O-N 2.88Å; E18-K23 WeakPolarHBondContact O-CD 3.36Å; E18-K23 VanDerWaalsContact O-CE 3.23Å; E18-K23 WeakPolarHBondContact O-CE 3.16Å; E18-K23 PolarHBondContact O-NZ 3.11Å
19S77.2Confident72Confident54 Ų5471.6 Ų71.638%0.37838%0.378SS..SBendtrans-55.7142.2172.9-175.70000111E15 N16 V21 A22 K23E15-S19 PolarHBondContact O-N 3.13Å; N16-S19 WeakPolarHBondContact O-CB 3.33Å; N16-S19 PolarHBondContact O-N 3.18Å; S19-V21 PolarHBondContact O-N 3.45Å; S19-A22 PolarHBondContact O-N 3.48Å; S19-K23 PolarHBondContact O-N 2.86Å
20F77.4Confident73.8Confident98 Ų9868 Ų6843%0.4335%0.353SS..Hα-helixtrans-51.1-42.6178.1176.1-91.7000112.3A22 K23 Y24 V99F20-A22 PolarHBondContact O-N 2.92Å; F20-K23 PolarHBondContact O-N 3.41Å; F20-Y24 VanDerWaalsContact O-CB 3.25Å; F20-Y24 WeakPolarHBondContact O-CB 3.44Å; F20-Y24 PolarHBondContact O-N 3.43Å; F20-V99 HydrophobicContact CE2-CG1 3.34Å; F20-V99 HydrophobicContact CZ-CB 4.21Å; F20-V99 HydrophobicContact CZ-CG1 3.37Å
21V81.9Confident75.6Confident88 Ų8866.7 Ų66.753%0.53334%0.339SS..Hα-helixtrans-64.6-41.6-179.5-179.70000111.2S19 Y24 L25S19-V21 PolarHBondContact O-N 3.45Å; V21-Y24 PolarHBondContact O-N 3.43Å; V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 HydrophobicContact CG1-CG 4.43Å; V21-L25 WeakPolarHBondContact O-CG 3.17Å; V21-L25 PolarHBondContact O-N 2.92Å
22A83.4Confident77.3Confident32 Ų3262.2 Ų62.226%0.26432%0.319SS..Hα-helixtrans-64.9-49.2177.400000110.9N16 S19 F20 Y24 L25 L26N16-A22 VanDerWaalsContact O-CB 3.23Å; N16-A22 WeakPolarHBondContact O-CB 3.21Å; S19-A22 PolarHBondContact O-N 3.48Å; F20-A22 PolarHBondContact O-N 2.92Å; A22-Y24 VanDerWaalsContact C-N 3.25Å; A22-Y24 PolarHBondContact O-N 2.89Å; A22-L25 PolarHBondContact O-N 3.42Å; A22-L26 WeakPolarHBondContact O-CB 3.39Å; A22-L26 PolarHBondContact O-N 3.13Å
23K83.1Confident79.1Confident82 Ų8258.6 Ų58.636%0.35731%0.309SS..Hα-helixtrans-57.3-39.6175.8-73.5171.2175.11520112.1E18 S19 F20 S27E18-K23 WeakPolarHBondContact O-CD 3.36Å; E18-K23 VanDerWaalsContact O-CE 3.23Å; E18-K23 WeakPolarHBondContact O-CE 3.16Å; E18-K23 PolarHBondContact O-NZ 3.11Å; S19-K23 PolarHBondContact O-N 2.86Å; F20-K23 PolarHBondContact O-N 3.41Å; K23-S27 WeakPolarHBondContact O-CB 3.2Å; K23-S27 PolarHBondContact O-N 3.36Å
24Y85.9Confident80.9Confident51 Ų5155.5 Ų55.520%0.229%0.288CS..Hα-helixtrans-65.7-53.5177.1169.8-105.6000112.3F20 V21 A22 L26 S27 C28 Y92 T95 G96F20-Y24 VanDerWaalsContact O-CB 3.25Å; F20-Y24 WeakPolarHBondContact O-CB 3.44Å; F20-Y24 PolarHBondContact O-N 3.43Å; V21-Y24 PolarHBondContact O-N 3.43Å; A22-Y24 VanDerWaalsContact C-N 3.25Å; A22-Y24 PolarHBondContact O-N 2.89Å; Y24-L26 VanDerWaalsContact C-N 3.27Å; Y24-L26 PolarHBondContact O-N 2.99Å; Y24-S27 PolarHBondContact O-N 2.9Å; Y24-S27 PolarHBondContact O-OG 2.94Å; Y24-C28 VanDerWaalsContact CE2-SG 3.51Å; Y24-C28 PolarHBondContact O-N 3.18Å; Y24-C28 PolarHBondContact O-SG 2.65Å; Y24-Y92 PolarHBondContact OH-O 2.81Å; Y24-T95 HydrophobicContact CD2-CG2 4.03Å; Y24-T95 HydrophobicContact CE2-CG2 3.86Å; Y24-G96 VanDerWaalsContact CE2-N 3.33Å
25L88.4Confident82.8Confident90 Ų9049.3 Ų49.347%0.47126%0.264SS..Hα-helixtrans-59.5-42.5178.5-71.5175.8000111.1V21 A22 S27 C28 V29V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 HydrophobicContact CG1-CG 4.43Å; V21-L25 WeakPolarHBondContact O-CG 3.17Å; V21-L25 PolarHBondContact O-N 2.92Å; A22-L25 PolarHBondContact O-N 3.42Å; L25-S27 PolarHBondContact O-N 3.38Å; L25-C28 WeakPolarHBondContact O-CB 3.36Å; L25-C28 PolarHBondContact O-N 3.34Å; L25-C28 VanDerWaalsContact O-N 3.15Å; L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.47Å
26L87.3Confident84.3Confident14 Ų1444.2 Ų44.27%0.07324%0.244CC..Hα-helixtrans-57.8-46.6175.8-173.961000112.5A22 Y24 C28 V29 A30 Y310 I313 R314A22-L26 WeakPolarHBondContact O-CB 3.39Å; A22-L26 PolarHBondContact O-N 3.13Å; Y24-L26 VanDerWaalsContact C-N 3.27Å; Y24-L26 PolarHBondContact O-N 2.99Å; L26-C28 VanDerWaalsContact C-N 3.3Å; L26-C28 PolarHBondContact O-N 2.79Å; L26-V29 PolarHBondContact O-N 3.43Å; L26-A30 WeakPolarHBondContact O-CB 3.31Å; L26-A30 PolarHBondContact O-N 2.89Å; L26-Y310 HydrophobicContact CB-CE2 4.15Å; L26-Y310 HydrophobicContact CD2-CD2 4.36Å; L26-Y310 HydrophobicContact CD2-CE2 3.84Å; L26-Y310 HydrophobicContact CG-CD2 3.89Å; L26-Y310 HydrophobicContact CG-CE2 3.63Å; L26-I313 HydrophobicContact CD1-CB 3.25Å; L26-I313 HydrophobicContact CD1-CD1 4.28Å; L26-I313 HydrophobicContact CD1-CG1 4.38Å; L26-I313 HydrophobicContact CD1-CG2 2.99Å; L26-I313 HydrophobicContact CG-CG2 4.49Å; L26-R314 HydrophobicContact CD2-CB 4.34Å; L26-R314 HydrophobicContact CD2-CG 3.32Å; L26-R314 HydrophobicContact CG-CG 4.48Å
27S88.1Confident86Confident20 Ų2042 Ų4214%0.1424%0.241CC..Hα-helixtrans-63.5-37.3176.5760000111.9K23 Y24 L25 A31K23-S27 WeakPolarHBondContact O-CB 3.2Å; K23-S27 PolarHBondContact O-N 3.36Å; Y24-S27 PolarHBondContact O-N 2.9Å; Y24-S27 PolarHBondContact O-OG 2.94Å; L25-S27 PolarHBondContact O-N 3.38Å; S27-A31 VanDerWaalsContact O-CB 3.22Å; S27-A31 WeakPolarHBondContact O-CB 3.22Å; S27-A31 PolarHBondContact O-N 3.07Å
28C90.5Very high87.8Confident0 Ų041.8 Ų41.80%024%0.239CC..Hα-helixtrans-69.4-39.9178.2-66.90000111.9Y24 L25 L26 A31 T32 Y92Y24-C28 VanDerWaalsContact CE2-SG 3.51Å; Y24-C28 PolarHBondContact O-N 3.18Å; Y24-C28 PolarHBondContact O-SG 2.65Å; L25-C28 WeakPolarHBondContact O-CB 3.36Å; L25-C28 PolarHBondContact O-N 3.34Å; L25-C28 VanDerWaalsContact O-N 3.15Å; L26-C28 VanDerWaalsContact C-N 3.3Å; L26-C28 PolarHBondContact O-N 2.79Å; C28-A31 PolarHBondContact O-N 2.71Å; C28-T32 VanDerWaalsContact O-CB 3.31Å; C28-T32 WeakPolarHBondContact O-CB 3.47Å; C28-T32 PolarHBondContact O-N 2.98Å; C28-T32 PolarHBondContact O-OG1 3.49Å; C28-Y92 HydrophobicContact CB-CD1 3.72Å; C28-Y92 HydrophobicContact CB-CE1 3.53Å; C28-Y92 HydrophobicContact CB-CG 4.35Å
29V91.4Very high89.1Confident62 Ų6237.7 Ų37.738%0.37622%0.219SC..Hα-helixtrans-65.7-47.5175.4176.10000110.3L25 L26 A31 T32 V33 I313L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.47Å; L26-V29 PolarHBondContact O-N 3.43Å; V29-A31 VanDerWaalsContact C-N 3.33Å; V29-A31 PolarHBondContact O-N 2.98Å; V29-T32 WeakPolarHBondContact O-CB 3.25Å; V29-T32 PolarHBondContact O-N 3.32Å; V29-T32 VanDerWaalsContact O-N 3.13Å; V29-V33 WeakPolarHBondContact O-CG2 3.35Å; V29-V33 PolarHBondContact O-N 2.94Å; V29-I313 HydrophobicContact CB-CD1 4.24Å; V29-I313 HydrophobicContact CG1-CD1 3.69Å
30A91.3Very high89.9Confident0 Ų036.3 Ų36.30%021%0.209CC..Hα-helixtrans-59.5-43176.400000112.2L26 T32 V33 A34 F306 Y310 I313L26-A30 WeakPolarHBondContact O-CB 3.31Å; L26-A30 PolarHBondContact O-N 2.89Å; A30-T32 VanDerWaalsContact C-N 3.33Å; A30-T32 PolarHBondContact O-N 3.1Å; A30-V33 PolarHBondContact O-N 3.36Å; A30-A34 WeakPolarHBondContact O-CB 3.49Å; A30-A34 PolarHBondContact O-N 3.09Å; A30-F306 HydrophobicContact CB-CD2 4Å; A30-F306 HydrophobicContact CB-CE2 3.98Å; A30-Y310 HydrophobicContact CB-CD2 4.03Å; A30-Y310 HydrophobicContact CB-CG 4.47Å; A30-I313 HydrophobicContact CB-CD1 4.4Å
31A92.9Very high90.6Very high4 Ų434 Ų343%0.03320%0.201CC..Hα-helixtrans-65.8-34.9175.900000112.7S27 C28 V29 A34 E35 H91 F306S27-A31 VanDerWaalsContact O-CB 3.22Å; S27-A31 WeakPolarHBondContact O-CB 3.22Å; S27-A31 PolarHBondContact O-N 3.07Å; C28-A31 PolarHBondContact O-N 2.71Å; V29-A31 VanDerWaalsContact C-N 3.33Å; V29-A31 PolarHBondContact O-N 2.98Å; A31-A34 PolarHBondContact O-N 2.81Å; A31-E35 VanDerWaalsContact O-CB 3.26Å; A31-E35 WeakPolarHBondContact O-CB 3.14Å; A31-E35 PolarHBondContact O-N 3.01Å; A31-H91 HydrophobicContact CB-CB 4.34Å; A31-F306 HydrophobicContact CB-CD2 4.09Å; A31-F306 HydrophobicContact CB-CE2 4.07Å
32T93.5Very high91.1Very high26 Ų2629.9 Ų29.916%0.1618%0.176CC..Hα-helixtrans-64.1-43174.8-65.70000111.5C28 V29 A30 S36 V88C28-T32 VanDerWaalsContact O-CB 3.31Å; C28-T32 WeakPolarHBondContact O-CB 3.47Å; C28-T32 PolarHBondContact O-N 2.98Å; C28-T32 PolarHBondContact O-OG1 3.49Å; V29-T32 WeakPolarHBondContact O-CB 3.25Å; V29-T32 PolarHBondContact O-N 3.32Å; V29-T32 VanDerWaalsContact O-N 3.13Å; A30-T32 VanDerWaalsContact C-N 3.33Å; A30-T32 PolarHBondContact O-N 3.1Å; T32-S36 VanDerWaalsContact O-CB 3.24Å; T32-S36 WeakPolarHBondContact O-CB 3.39Å; T32-S36 PolarHBondContact O-N 3.26Å; T32-S36 PolarHBondContact O-OG 3.32Å; T32-V88 HydrophobicContact CG2-CB 4.37Å; T32-V88 HydrophobicContact CG2-CG1 3.71Å; T32-V88 HydrophobicContact CG2-CG2 3.76Å
33V93.9Very high91.5Very high62 Ų6228.4 Ų28.438%0.37616%0.164SC..Hα-helixtrans-64-48.5175.61770000110.5V29 A30 E35 S36 A37 T305 S309V29-V33 WeakPolarHBondContact O-CG2 3.35Å; V29-V33 PolarHBondContact O-N 2.94Å; A30-V33 PolarHBondContact O-N 3.36Å; V33-E35 PolarHBondContact O-N 3.11Å; V33-S36 PolarHBondContact O-N 2.89Å; V33-A37 WeakPolarHBondContact O-CB 3.35Å; V33-A37 PolarHBondContact O-N 2.95Å; V33-T305 HydrophobicContact CG1-CG2 4.08Å; V33-S309 WeakPolarHBondContact CG1-OG 3.21Å
34A94Very high92Very high0 Ų024.7 Ų24.70%015%0.148CC..Hα-helixtrans-62.1-43.8179.200000113.4A30 A31 T38 W302 T305 F306A30-A34 WeakPolarHBondContact O-CB 3.49Å; A30-A34 PolarHBondContact O-N 3.09Å; A31-A34 PolarHBondContact O-N 2.81Å; A34-T38 WeakPolarHBondContact O-CG2 3.09Å; A34-T38 PolarHBondContact O-N 3.22Å; A34-T38 VanDerWaalsContact O-N 3.14Å; A34-T38 PolarHBondContact O-OG1 3.42Å; A34-W302 HydrophobicContact CB-CD2 4.44Å; A34-W302 HydrophobicContact CB-CG 4.32Å; A34-T305 HydrophobicContact CB-CG2 4.13Å; A34-F306 HydrophobicContact CB-CB 3.86Å
35E94.2Very high92.3Very high4 Ų423.1 Ų23.12%0.01914%0.142CC..Hα-helixtrans-64.4-45.5175.4-174.676.5173.500110.2A31 V33 A37 T38 Y39 A87 H91 K145 R298 W302A31-E35 VanDerWaalsContact O-CB 3.26Å; A31-E35 WeakPolarHBondContact O-CB 3.14Å; A31-E35 PolarHBondContact O-N 3.01Å; V33-E35 PolarHBondContact O-N 3.11Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.01Å; E35-T38 CarbonylContact O-C 3.59Å; E35-T38 PolarHBondContact O-N 2.92Å; E35-Y39 HydrophobicContact CG-CD2 4.24Å; E35-Y39 VanDerWaalsContact O-CA 3.31Å; E35-Y39 WeakPolarHBondContact O-CA 3.23Å; E35-Y39 WeakPolarHBondContact O-CB 3.37Å; E35-Y39 PolarHBondContact O-N 3.42Å; E35-A87 HydrophobicContact CG-CB 4.11Å; E35-H91 VanDerWaalsContact CB-CE1 3.47Å; E35-H91 WeakPolarHBondContact CB-CE1 3.24Å; E35-H91 IonicContact OE2-CE1 3.59Å; E35-K145 IonicContact OE1-NZ 3.26Å; E35-K145 PolarHBondContact OE1-NZ 2.68Å; E35-R298 IonicContact OE2-NH1 3.45Å; E35-R298 PolarHBondContact OE2-NH1 2.93Å; E35-W302 PolarHBondContact OE2-NE1 3.41Å
36S93.9Very high92.4Very high36 Ų3619 Ų1925%0.25212%0.121SC..Hα-helixtrans-63.2-39.1-179.2-59.30000112.5T32 V33 W81T32-S36 VanDerWaalsContact O-CB 3.24Å; T32-S36 WeakPolarHBondContact O-CB 3.39Å; T32-S36 PolarHBondContact O-N 3.26Å; T32-S36 PolarHBondContact O-OG 3.32Å; V33-S36 PolarHBondContact O-N 2.89Å; S36-W81 PolarHBondContact O-NE1 3.35Å
37A94.4Very high92.5Very high60 Ų6018.6 Ų18.650%0.49612%0.118SC..Hα-helixtrans-68.1-37.217800000112.5V33 E35 T305V33-A37 WeakPolarHBondContact O-CB 3.35Å; V33-A37 PolarHBondContact O-N 2.95Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.01Å; A37-T305 HydrophobicContact CB-CG2 4.13Å
38T94.1Very high92.6Very high8 Ų818 Ų185%0.04911%0.113CC..Hα-helixtrans-100.94-176.264.30000113.8A34 E35 P40 L41 P301 W302A34-T38 WeakPolarHBondContact O-CG2 3.09Å; A34-T38 PolarHBondContact O-N 3.22Å; A34-T38 VanDerWaalsContact O-N 3.14Å; A34-T38 PolarHBondContact O-OG1 3.42Å; E35-T38 CarbonylContact O-C 3.59Å; E35-T38 PolarHBondContact O-N 2.92Å; T38-P40 VanDerWaalsContact C-N 3.34Å; T38-L41 WeakPolarHBondContact O-CB 3.14Å; T38-L41 PolarHBondContact O-N 2.84Å; T38-L41 VanDerWaalsContact O-N 3.11Å; T38-P301 HydrophobicContact CG2-CB 3.92Å; T38-W302 HydrophobicContact CG2-CB 4.05Å
39Y93.9Very high92.6Very high0 Ų018 Ų180%011%0.113CC..Hα-helixtrans-56.9-36.2-176.5-161.8-96000114.2E35 L41 D42 L43 L80 W81 Q82 G83 V84 A87 Q149E35-Y39 HydrophobicContact CG-CD2 4.24Å; E35-Y39 VanDerWaalsContact O-CA 3.31Å; E35-Y39 WeakPolarHBondContact O-CA 3.23Å; E35-Y39 WeakPolarHBondContact O-CB 3.37Å; E35-Y39 PolarHBondContact O-N 3.42Å; Y39-L41 PolarHBondContact O-N 2.82Å; Y39-D42 CarbonylContact O-C 3.52Å; Y39-D42 WeakPolarHBondContact O-CA 3.4Å; Y39-D42 WeakPolarHBondContact O-CB 3.45Å; Y39-D42 PolarHBondContact O-N 2.86Å; Y39-L43 HydrophobicContact CE1-CB 4.4Å; Y39-L43 PolarHBondContact O-N 2.68Å; Y39-L80 WeakPolarHBondContact CD1-O 3.34Å; Y39-L80 WeakPolarHBondContact CE1-O 3.5Å; Y39-W81 HydrophobicContact CD1-CB 4.5Å; Y39-W81 HydrophobicContact CD1-CG 4.47Å; Y39-Q82 VanDerWaalsContact CE1-O 3.3Å; Y39-Q82 WeakPolarHBondContact CE1-O 3.48Å; Y39-Q82 PolarHBondContact OH-O 3.47Å; Y39-G83 VanDerWaalsContact CZ-C 3.46Å; Y39-G83 VanDerWaalsContact OH-CA 3.27Å; Y39-G83 WeakPolarHBondContact OH-CA 3.24Å; Y39-G83 PolarHBondContact OH-O 3.45Å; Y39-V84 HydrophobicContact CD1-CB 4.32Å; Y39-V84 HydrophobicContact CD2-CB 4.29Å; Y39-V84 HydrophobicContact CD2-CG2 4.1Å; Y39-V84 HydrophobicContact CE1-CB 4.25Å; Y39-V84 HydrophobicContact CE2-CB 4.23Å; Y39-V84 HydrophobicContact CE2-CG2 4.43Å; Y39-V84 HydrophobicContact CG-CB 4.34Å; Y39-V84 HydrophobicContact CG-CG2 4.22Å; Y39-V84 PolarHBondContact OH-N 3.05Å; Y39-A87 HydrophobicContact CD2-CB 4.25Å; Y39-A87 HydrophobicContact CE2-CB 3.63Å; Y39-Q149 WeakPolarHBondContact OH-CG 3.34Å; Y39-Q149 PolarHBondContact OH-NE2 2.94Å
40P94.4Very high92.4Very high26 Ų2615 Ų1517%0.16910%0.095CC..Hα-helixtrans-54.7-37175.1-30.438.1000114.2T38 D42 L43 L44 L80 W81T38-P40 VanDerWaalsContact C-N 3.34Å; P40-D42 VanDerWaalsContact C-N 3.32Å; P40-L43 PolarHBondContact O-N 2.96Å; P40-L44 VanDerWaalsContact O-CB 3.29Å; P40-L44 WeakPolarHBondContact O-CB 3.37Å; P40-L44 PolarHBondContact O-N 3.28Å; P40-L80 HydrophobicContact CB-CB 4.12Å; P40-L80 HydrophobicContact CB-CD1 4.19Å; P40-L80 HydrophobicContact CB-CD2 4.48Å; P40-L80 HydrophobicContact CG-CB 4.14Å; P40-L80 HydrophobicContact CG-CD1 4.48Å; P40-W81 HydrophobicContact CG-CH2 4.1Å; P40-W81 HydrophobicContact CG-CZ2 3.93Å
41L93.1Very high91.8Very high50 Ų5016.4 Ų16.426%0.26210%0.102SC..Hα-helixtrans-69.4-34175.7-65.3172.3000111.5T38 Y39 L44 K45 R298T38-L41 WeakPolarHBondContact O-CB 3.14Å; T38-L41 PolarHBondContact O-N 2.84Å; T38-L41 VanDerWaalsContact O-N 3.11Å; Y39-L41 PolarHBondContact O-N 2.82Å; L41-L44 PolarHBondContact O-N 2.89Å; L41-K45 WeakPolarHBondContact O-CB 3.41Å; L41-K45 PolarHBondContact O-N 3.45Å; L41-R298 HydrophobicContact CB-CB 4.12Å; L41-R298 HydrophobicContact CB-CG 4.12Å; L41-R298 HydrophobicContact CD1-CB 3.84Å; L41-R298 HydrophobicContact CD1-CG 4.09Å
42D92.4Very high90.8Very high1 Ų117.2 Ų17.21%0.00511%0.11CC..Hα-helixtrans-71.5-37.8176.5-167.194.1000112.3Y39 P40 K45 T46 K145 Q149Y39-D42 CarbonylContact O-C 3.52Å; Y39-D42 WeakPolarHBondContact O-CA 3.4Å; Y39-D42 WeakPolarHBondContact O-CB 3.45Å; Y39-D42 PolarHBondContact O-N 2.86Å; P40-D42 VanDerWaalsContact C-N 3.32Å; D42-K45 VanDerWaalsContact O-CG 3.31Å; D42-K45 WeakPolarHBondContact O-CG 3.42Å; D42-K45 WeakPolarHBondContact OD1-CE 3.3Å; D42-K45 IonicContact OD1-NZ 3.73Å; D42-K45 PolarHBondContact OD1-NZ 2.91Å; D42-T46 PolarHBondContact O-N 3.32Å; D42-T46 PolarHBondContact O-OG1 3.15Å; D42-K145 IonicContact OD1-NZ 2.76Å; D42-K145 PolarHBondContact OD1-NZ 3.46Å; D42-K145 WeakPolarHBondContact OD2-CE 3.16Å; D42-K145 IonicContact OD2-NZ 3.42Å; D42-K145 PolarHBondContact OD2-NZ 3.17Å; D42-Q149 PolarHBondContact OD2-NE2 3.09Å
43L91.9Very high89.5Confident0 Ų016.1 Ų16.10%010%0.103CC..Hα-helixtrans-67.6-42.6171.3-175.2142.2000111Y39 P40 K45 T46 R47 I71 S79 L80 Q82Y39-L43 HydrophobicContact CE1-CB 4.4Å; Y39-L43 PolarHBondContact O-N 2.68Å; P40-L43 PolarHBondContact O-N 2.96Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.21Å; L43-T46 PolarHBondContact O-N 2.95Å; L43-T46 PolarHBondContact O-OG1 3.12Å; L43-R47 HydrophobicContact CD2-CG 3.84Å; L43-R47 HydrophobicContact CG-CG 4.36Å; L43-R47 WeakPolarHBondContact O-CB 3.47Å; L43-R47 VanDerWaalsContact O-CG 3.22Å; L43-R47 WeakPolarHBondContact O-CG 3.19Å; L43-R47 PolarHBondContact O-N 2.96Å; L43-I71 HydrophobicContact CD2-CD1 4.02Å; L43-S79 VanDerWaalsContact CD1-O 3.27Å; L43-S79 WeakPolarHBondContact CD1-O 3.42Å; L43-L80 WeakPolarHBondContact CD1-O 3.36Å; L43-L80 HydrophobicContact CD2-CD2 4.25Å; L43-Q82 HydrophobicContact CD1-CB 3.99Å
44L92.2Very high87.9Confident4 Ų418.3 Ų18.32%0.02111%0.11CC..Hα-helixtrans-61.1-42.3179-174.459.7000111.8P40 L41 T46 L48 T64 L67 L68 I71 P294P40-L44 VanDerWaalsContact O-CB 3.29Å; P40-L44 WeakPolarHBondContact O-CB 3.37Å; P40-L44 PolarHBondContact O-N 3.28Å; L41-L44 PolarHBondContact O-N 2.89Å; L44-T46 PolarHBondContact O-N 3.02Å; L44-L48 HydrophobicContact CG-CD1 4.24Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.36Å; L44-L48 PolarHBondContact O-N 2.9Å; L44-T64 HydrophobicContact CD2-CG2 3.49Å; L44-T64 VanDerWaalsContact CD2-CG2 3.49Å; L44-T64 HydrophobicContact CG-CG2 4.17Å; L44-L67 HydrophobicContact CD1-CB 4.11Å; L44-L67 HydrophobicContact CD1-CD2 3.68Å; L44-L67 HydrophobicContact CD1-CG 3.79Å; L44-L68 HydrophobicContact CD1-CB 4.16Å; L44-L68 HydrophobicContact CD2-CB 4.13Å; L44-I71 HydrophobicContact CD1-CD1 4.31Å; L44-P294 HydrophobicContact CD2-CG 4.1Å; L44-P294 HydrophobicContact CG-CG 4.11Å
45K92.5Very high86.1Confident19 Ų1921.2 Ų21.28%0.08313%0.125CC..Hα-helixtrans-61.3-44.8177.495.1-168.3174.2178.40111.1L41 D42 L43 L48 Q49 P294 I295L41-K45 WeakPolarHBondContact O-CB 3.41Å; L41-K45 PolarHBondContact O-N 3.45Å; D42-K45 VanDerWaalsContact O-CG 3.31Å; D42-K45 WeakPolarHBondContact O-CG 3.42Å; D42-K45 WeakPolarHBondContact OD1-CE 3.3Å; D42-K45 IonicContact OD1-NZ 3.73Å; D42-K45 PolarHBondContact OD1-NZ 2.91Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.21Å; K45-L48 PolarHBondContact O-N 3.3Å; K45-Q49 WeakPolarHBondContact O-CB 3.3Å; K45-Q49 WeakPolarHBondContact O-CG 3.49Å; K45-Q49 PolarHBondContact O-N 3.15Å; K45-P294 HydrophobicContact CB-CB 3.92Å; K45-I295 HydrophobicContact CB-CG1 4.25Å; K45-I295 HydrophobicContact CD-CG1 3.85Å; K45-I295 HydrophobicContact CG-CG1 4.46Å
46T91.5Very high84Confident3 Ų326.7 Ų26.72%0.01815%0.154CC..Hα-helixtrans-72-38.8-174.251.80000110.5D42 L43 L44 L48 Q49 L50 Q149 T247D42-T46 PolarHBondContact O-N 3.32Å; D42-T46 PolarHBondContact O-OG1 3.15Å; L43-T46 PolarHBondContact O-N 2.95Å; L43-T46 PolarHBondContact O-OG1 3.12Å; L44-T46 PolarHBondContact O-N 3.02Å; T46-L48 PolarHBondContact O-N 2.76Å; T46-Q49 PolarHBondContact O-N 2.79Å; T46-L50 VanDerWaalsContact O-CG 3.23Å; T46-L50 WeakPolarHBondContact O-CG 3.37Å; T46-L50 PolarHBondContact O-N 3.22Å; T46-Q149 PolarHBondContact OG1-OE1 3.5Å; T46-Q149 VanDerWaalsContact OG1-OE1 3.07Å; T46-T247 HydrophobicContact CG2-CG2 4.37Å
47R89.2Confident81.9Confident5 Ų534.5 Ų34.52%0.01918%0.183CC..Hα-helixtrans-57.7-45.9170.3-67-77-153.3-128.8-6.1112.1L43 L50 Q51 L67 I71 E75 Q149 A150 G152L43-R47 HydrophobicContact CD2-CG 3.84Å; L43-R47 HydrophobicContact CG-CG 4.36Å; L43-R47 WeakPolarHBondContact O-CB 3.47Å; L43-R47 VanDerWaalsContact O-CG 3.22Å; L43-R47 WeakPolarHBondContact O-CG 3.19Å; L43-R47 PolarHBondContact O-N 2.96Å; R47-L50 PolarHBondContact O-N 2.98Å; R47-Q51 WeakPolarHBondContact O-CG 3.45Å; R47-Q51 PolarHBondContact O-N 3.44Å; R47-Q51 VanDerWaalsContact O-N 3.11Å; R47-L67 HydrophobicContact CB-CD2 3.81Å; R47-I71 HydrophobicContact CG-CD1 4.25Å; R47-E75 IonicContact CZ-OE1 3.74Å; R47-E75 IonicContact NE-OE1 3.34Å; R47-E75 IonicContact NH2-OE1 3.21Å; R47-E75 PolarHBondContact NH2-OE1 3.47Å; R47-E75 IonicContact NH2-OE2 3.04Å; R47-E75 PolarHBondContact NH2-OE2 3.21Å; R47-Q149 VanDerWaalsContact CZ-O 3.3Å; R47-Q149 PolarHBondContact NH1-O 2.6Å; R47-A150 VanDerWaalsContact NH1-C 3.26Å; R47-A150 PolarHBondContact NH1-O 2.98Å; R47-G152 VanDerWaalsContact CZ-CA 3.5Å
48L90.4Very high79.6Confident8 Ų836.6 Ų36.64%0.04219%0.193CC..Hα-helixtrans-63.2-41.5176.4-73168.7000112.4L44 K45 T46 L50 Q51 T64 L67 P294L44-L48 HydrophobicContact CG-CD1 4.24Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.36Å; L44-L48 PolarHBondContact O-N 2.9Å; K45-L48 PolarHBondContact O-N 3.3Å; T46-L48 PolarHBondContact O-N 2.76Å; L48-L50 VanDerWaalsContact C-N 3.25Å; L48-L50 PolarHBondContact O-N 3.26Å; L48-Q51 WeakPolarHBondContact O-CB 3.43Å; L48-Q51 PolarHBondContact O-N 2.94Å; L48-T64 HydrophobicContact CD1-CG2 4.17Å; L48-L67 HydrophobicContact CD2-CB 4.46Å; L48-L67 HydrophobicContact CD2-CD2 3.53Å; L48-L67 HydrophobicContact CG-CD2 3.64Å; L48-P294 HydrophobicContact CD1-CG 3.84Å
49Q89.4Confident77.8Confident0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-65.8-30.6-179.8-73.8174.5-15.700112.8K45 T46 V244 T247 R248 K290K45-Q49 WeakPolarHBondContact O-CB 3.3Å; K45-Q49 WeakPolarHBondContact O-CG 3.49Å; K45-Q49 PolarHBondContact O-N 3.15Å; T46-Q49 PolarHBondContact O-N 2.79Å; Q49-V244 HydrophobicContact CG-CG2 3.84Å; Q49-T247 HydrophobicContact CB-CG2 4.04Å; Q49-T247 PolarHBondContact OE1-OG1 3.35Å; Q49-R248 PolarHBondContact O-NE 2.67Å; Q49-R248 PolarHBondContact O-NH2 2.69Å; Q49-K290 WeakPolarHBondContact CG-O 3.42Å
50L86.7Confident76.1Confident0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-79.9-25.9175.2-65.2175.1000112.4T46 R47 L48 G52 E53 A150 R153 T247 N251T46-L50 VanDerWaalsContact O-CG 3.23Å; T46-L50 WeakPolarHBondContact O-CG 3.37Å; T46-L50 PolarHBondContact O-N 3.22Å; R47-L50 PolarHBondContact O-N 2.98Å; L48-L50 VanDerWaalsContact C-N 3.25Å; L48-L50 PolarHBondContact O-N 3.26Å; L50-G52 PolarHBondContact O-N 2.98Å; L50-E53 WeakPolarHBondContact CD2-OE2 3.37Å; L50-E53 WeakPolarHBondContact O-CB 3.48Å; L50-E53 PolarHBondContact O-N 3.39Å; L50-A150 HydrophobicContact CD1-CB 3.69Å; L50-R153 PolarHBondContact O-NH1 3.43Å; L50-T247 HydrophobicContact CD1-CG2 4.31Å; L50-T247 HydrophobicContact CD2-CG2 3.7Å; L50-T247 HydrophobicContact CG-CG2 3.73Å; L50-N251 HydrophobicContact CD2-CB 3.52Å
51Q79.6Confident74.8Confident28 Ų2854.1 Ų54.113%0.13127%0.274CS..THydrogen-bonded Turntrans-55.7136.5177.9-77.5-178.6-17.400111.9R47 L48 E53 M62 R248 K290R47-Q51 WeakPolarHBondContact O-CG 3.45Å; R47-Q51 PolarHBondContact O-N 3.44Å; R47-Q51 VanDerWaalsContact O-N 3.11Å; L48-Q51 WeakPolarHBondContact O-CB 3.43Å; L48-Q51 PolarHBondContact O-N 2.94Å; Q51-E53 VanDerWaalsContact C-N 3.28Å; Q51-M62 PolarHBondContact OE1-O 3.49Å; Q51-R248 PolarHBondContact O-NH2 3.45Å; Q51-K290 PolarHBondContact O-NZ 3.33Å
52G71.4Confident73.8Confident21 Ų2154.3 Ų54.322%0.21627%0.273CS..THydrogen-bonded Turntrans87.5-12.4-176.400000114.2L50 H54L50-G52 PolarHBondContact O-N 2.98Å; G52-H54 PolarHBondContact O-N 3.47Å
53E67.8Low73.4Confident3 Ų356.5 Ų56.51%0.01430%0.297CS..SBendtrans-65.5126.9170.8-161.9179.5-152.600109.3L50 Q51 D55 R153 N251 Y269L50-E53 WeakPolarHBondContact CD2-OE2 3.37Å; L50-E53 WeakPolarHBondContact O-CB 3.48Å; L50-E53 PolarHBondContact O-N 3.39Å; Q51-E53 VanDerWaalsContact C-N 3.28Å; E53-D55 PolarHBondContact O-N 3.35Å; E53-R153 PolarHBondContact O-NH2 3.42Å; E53-N251 PolarHBondContact OE2-ND2 3.37Å; E53-Y269 WeakPolarHBondContact OE1-CE2 3.44Å
54H59.5Low73.1Confident109 Ų10958 Ų5851%0.50531%0.306SS..SBendtrans66.2-24.7-174.6-67.8-84.9000117.8G52 L56 Y268G52-H54 PolarHBondContact O-N 3.47Å; H54-L56 PolarHBondContact O-N 2.92Å; H54-Y268 AromaticContact CE1-CD2 3.29Å; H54-Y268 WeakPolarHBondContact CE1-CD2 3.35Å; H54-Y268 AromaticContact CE1-CE2 3.86Å; H54-Y268 AromaticContact CE1-CG 3.45Å; H54-Y268 VanDerWaalsContact CE1-CG 3.45Å; H54-Y268 AromaticContact ND1-CD2 3.72Å; H54-Y268 AromaticContact ND1-CE2 3.83Å; H54-Y268 AromaticContact NE2-CG 3.85Å
55D54.9Low73Confident60 Ų6066.3 Ų66.332%0.32134%0.342SS..  trans-102.485.6-168.9-140.5-0.9000111.4E53 K57 C58E53-D55 PolarHBondContact O-N 3.35Å; D55-K57 VanDerWaalsContact C-N 3.3Å; D55-K57 PolarHBondContact O-N 2.9Å; D55-C58 WeakPolarHBondContact OD1-CB 3.32Å
56L51.2Low72.7Confident119 Ų11968.3 Ų68.362%0.62336%0.359SS*.SBendtrans-72.4-17.1-176.6-92.5150.4000113.7H54 N282H54-L56 PolarHBondContact O-N 2.92Å; L56-N282 HydrophobicContact CD2-CB 4.16Å
57K49.4Very low72.5Confident200 Ų20068.7 Ų68.787%0.8736%0.361SS*.SBendtrans-147.1-18.5-172-73.7-173.8176.6178.30117.7D55D55-K57 VanDerWaalsContact C-N 3.3Å; D55-K57 PolarHBondContact O-N 2.9Å
58C45.5Very low72.5Confident105 Ų10571.1 Ų71.171%0.70937%0.374SS*.SBendtrans-97.3-10.1-158.8-64.60000117.1D55D55-C58 WeakPolarHBondContact OD1-CB 3.32Å
59R56.8Low72.5Confident145 Ų14574.6 Ų74.655%0.54740%0.399SS..SBendtrans-133.2138.7179.7-71-173.5177.1-165.4-1.5113.5K61 L156R59-K61 PolarHBondContact O-N 2.86Å; R59-L156 PolarHBondContact NH1-O 3.33Å; R59-L156 PolarHBondContact NH2-O 3.16Å
60P59.2Low72.3Confident112 Ų11278 Ų7873%0.72741%0.414SS*.  trans-62.7129.9176.924.8-31.4000109.8M62P60-M62 PolarHBondContact O-N 3.45Å; P60-M62 VanDerWaalsContact O-N 3.12Å
61K66.7Low72.3Confident145 Ų14578 Ų7863%0.6341%0.414SS*.  trans-63.3113.7172.9-65.3177.8-176.9175.40107.7R59R59-K61 PolarHBondContact O-N 2.86Å
62M72.3Confident72.8Confident53 Ų5379.8 Ų79.826%0.26143%0.427SS..  trans-83.7133.3179.2-61.7177117.700109.9Q51 P60 L67 H70Q51-M62 PolarHBondContact OE1-O 3.49Å; P60-M62 PolarHBondContact O-N 3.45Å; P60-M62 VanDerWaalsContact O-N 3.12Å; M62-L67 HydrophobicContact CB-CB 4.13Å; M62-L67 HydrophobicContact SD-CD1 4.41Å; M62-H70 HydrophobicContact CE-CB 3.74Å; M62-H70 HydrophobicContact SD-CB 4.28Å
63G83.5Confident73.6Confident48 Ų4883.1 Ų83.150%0.49545%0.447SS..  trans-64.7165.7166.900000111.7F65 S66 L67G63-F65 VanDerWaalsContact C-N 3.34Å; G63-F65 PolarHBondContact O-N 2.95Å; G63-S66 PolarHBondContact O-N 2.9Å; G63-S66 VanDerWaalsContact O-N 3.15Å; G63-L67 PolarHBondContact O-N 2.89Å
64T85.8Confident74.5Confident32 Ų3285.6 Ų85.620%0.19647%0.465CS..Hα-helixtrans-51.1-48.2-177.6-57.20000113.2L44 L48 L68 P294L44-T64 HydrophobicContact CD2-CG2 3.49Å; L44-T64 VanDerWaalsContact CD2-CG2 3.49Å; L44-T64 HydrophobicContact CG-CG2 4.17Å; L48-T64 HydrophobicContact CD1-CG2 4.17Å; T64-L68 WeakPolarHBondContact O-CB 3.41Å; T64-L68 PolarHBondContact O-N 3.11Å; T64-P294 HydrophobicContact CG2-CG 3.69Å
65F89.2Confident75.8Confident178 Ų17882 Ų8278%0.78145%0.448SS*.Hα-helixtrans-70.2-39.4179.9-64.5-71.4000113.2G63 L68 S69G63-F65 VanDerWaalsContact C-N 3.34Å; G63-F65 PolarHBondContact O-N 2.95Å; F65-L68 PolarHBondContact O-N 3.14Å; F65-S69 WeakPolarHBondContact O-CB 3.33Å; F65-S69 PolarHBondContact O-N 3.49Å
66S87.2Confident77.3Confident61 Ų6180.7 Ų80.743%0.42745%0.448SS..Hα-helixtrans-63.9-42.9177.7177.20000111G63 H70G63-S66 PolarHBondContact O-N 2.9Å; G63-S66 VanDerWaalsContact O-N 3.15Å; S66-H70 VanDerWaalsContact O-CB 3.23Å; S66-H70 WeakPolarHBondContact O-CB 3.13Å; S66-H70 PolarHBondContact O-N 3.27Å
67L87Confident79.1Confident11 Ų1177.7 Ų77.76%0.05844%0.441CS..Hα-helixtrans-65-43.3175.1177.862.2000111.9L44 R47 L48 M62 G63 H70 I71L44-L67 HydrophobicContact CD1-CB 4.11Å; L44-L67 HydrophobicContact CD1-CD2 3.68Å; L44-L67 HydrophobicContact CD1-CG 3.79Å; R47-L67 HydrophobicContact CB-CD2 3.81Å; L48-L67 HydrophobicContact CD2-CB 4.46Å; L48-L67 HydrophobicContact CD2-CD2 3.53Å; L48-L67 HydrophobicContact CG-CD2 3.64Å; M62-L67 HydrophobicContact CB-CB 4.13Å; M62-L67 HydrophobicContact SD-CD1 4.41Å; G63-L67 PolarHBondContact O-N 2.89Å; L67-H70 PolarHBondContact O-N 2.87Å; L67-I71 HydrophobicContact CD1-CD1 3.93Å; L67-I71 HydrophobicContact CD1-CG1 4.06Å; L67-I71 HydrophobicContact CD2-CD1 4.48Å; L67-I71 HydrophobicContact CG-CD1 3.79Å; L67-I71 HydrophobicContact CG-CG1 4.37Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.21Å; L67-I71 PolarHBondContact O-N 3.14Å
68L89.4Confident81Confident56 Ų5675.3 Ų75.329%0.29344%0.437SS..Hα-helixtrans-60.8-50.4177.6178.862000111.5L44 T64 F65 H70 I71 V72 L80L44-L68 HydrophobicContact CD1-CB 4.16Å; L44-L68 HydrophobicContact CD2-CB 4.13Å; T64-L68 WeakPolarHBondContact O-CB 3.41Å; T64-L68 PolarHBondContact O-N 3.11Å; F65-L68 PolarHBondContact O-N 3.14Å; L68-H70 PolarHBondContact O-N 2.95Å; L68-I71 PolarHBondContact O-N 3.28Å; L68-V72 HydrophobicContact CD1-CG2 4.4Å; L68-V72 WeakPolarHBondContact O-CG2 3.43Å; L68-V72 PolarHBondContact O-N 3.49Å; L68-L80 HydrophobicContact CD1-CD2 4.01Å
69S89.6Confident83Confident81 Ų8171.3 Ų71.357%0.56641%0.41SS*.Hα-helixtrans-57.9-40.5176.2-174.30000111F65 S73F65-S69 WeakPolarHBondContact O-CB 3.33Å; F65-S69 PolarHBondContact O-N 3.49Å; S69-S73 WeakPolarHBondContact O-CB 3.31Å; S69-S73 PolarHBondContact O-N 3.1Å; S69-S73 PolarHBondContact O-OG 2.89Å; S69-S73 VanDerWaalsContact O-OG 3.11Å
70H85.4Confident84.6Confident71 Ų7165.1 Ų65.133%0.32939%0.387SS..Hα-helixtrans-64.9-50.1178.9-166.265000111.4M62 S66 L67 L68 V72 S73 S74M62-H70 HydrophobicContact CE-CB 3.74Å; M62-H70 HydrophobicContact SD-CB 4.28Å; S66-H70 VanDerWaalsContact O-CB 3.23Å; S66-H70 WeakPolarHBondContact O-CB 3.13Å; S66-H70 PolarHBondContact O-N 3.27Å; L67-H70 PolarHBondContact O-N 2.87Å; L68-H70 PolarHBondContact O-N 2.95Å; H70-V72 VanDerWaalsContact C-N 3.33Å; H70-V72 PolarHBondContact O-N 3.42Å; H70-S73 WeakPolarHBondContact CA-OG 2.95Å; H70-S73 PolarHBondContact O-N 3.4Å; H70-S73 VanDerWaalsContact O-N 3.14Å; H70-S73 PolarHBondContact O-OG 2.9Å; H70-S74 WeakPolarHBondContact O-CB 3.3Å; H70-S74 PolarHBondContact O-N 3.19Å; H70-S74 PolarHBondContact O-OG 3.24Å
71I86.6Confident86.2Confident0 Ų064.7 Ų64.70%037%0.372CS..Hα-helixtrans-55.2-48.1177.7-68.6163.6000110.8L43 L44 R47 L67 L68 S73 S74 E75 G76 S79 L80L43-I71 HydrophobicContact CD2-CD1 4.02Å; L44-I71 HydrophobicContact CD1-CD1 4.31Å; R47-I71 HydrophobicContact CG-CD1 4.25Å; L67-I71 HydrophobicContact CD1-CD1 3.93Å; L67-I71 HydrophobicContact CD1-CG1 4.06Å; L67-I71 HydrophobicContact CD2-CD1 4.48Å; L67-I71 HydrophobicContact CG-CD1 3.79Å; L67-I71 HydrophobicContact CG-CG1 4.37Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.21Å; L67-I71 PolarHBondContact O-N 3.14Å; L68-I71 PolarHBondContact O-N 3.28Å; I71-S73 VanDerWaalsContact C-N 3.32Å; I71-S73 PolarHBondContact O-N 3.16Å; I71-S74 PolarHBondContact O-N 3.42Å; I71-E75 HydrophobicContact CG2-CB 4.36Å; I71-E75 WeakPolarHBondContact O-CA 3.41Å; I71-E75 WeakPolarHBondContact O-CB 3.2Å; I71-E75 PolarHBondContact O-N 2.83Å; I71-G76 PolarHBondContact O-N 3.46Å; I71-S79 WeakPolarHBondContact CG2-OG 3.35Å; I71-L80 HydrophobicContact CG2-CD2 3.83Å
72V90.2Very high87.2Confident65 Ų6560.6 Ų60.639%0.39436%0.355SS..Hα-helixtrans-63-40.9-179.5174.40000111.1L68 H70 G76 L80L68-V72 HydrophobicContact CD1-CG2 4.4Å; L68-V72 WeakPolarHBondContact O-CG2 3.43Å; L68-V72 PolarHBondContact O-N 3.49Å; H70-V72 VanDerWaalsContact C-N 3.33Å; H70-V72 PolarHBondContact O-N 3.42Å; V72-G76 VanDerWaalsContact O-CA 3.3Å; V72-G76 WeakPolarHBondContact O-CA 3.5Å; V72-G76 PolarHBondContact O-N 2.95Å; V72-L80 HydrophobicContact CG2-CD1 4.11Å
73S89.2Confident87.9Confident91 Ų9158.6 Ų58.664%0.63635%0.347SS*.Hα-helixtrans-74-32-179.968.70000114.4S69 H70 I71S69-S73 WeakPolarHBondContact O-CB 3.31Å; S69-S73 PolarHBondContact O-N 3.1Å; S69-S73 PolarHBondContact O-OG 2.89Å; S69-S73 VanDerWaalsContact O-OG 3.11Å; H70-S73 WeakPolarHBondContact CA-OG 2.95Å; H70-S73 PolarHBondContact O-N 3.4Å; H70-S73 VanDerWaalsContact O-N 3.14Å; H70-S73 PolarHBondContact O-OG 2.9Å; I71-S73 VanDerWaalsContact C-N 3.32Å; I71-S73 PolarHBondContact O-N 3.16Å
74S86.6Confident88.3Confident56 Ų5657.8 Ų57.839%0.39233%0.333SS..Hα-helixtrans-105.3-34.1-170.765.40000114H70 I71 L156H70-S74 WeakPolarHBondContact O-CB 3.3Å; H70-S74 PolarHBondContact O-N 3.19Å; H70-S74 PolarHBondContact O-OG 3.24Å; I71-S74 PolarHBondContact O-N 3.42Å; S74-L156 WeakPolarHBondContact OG-CD2 3.32Å
75E85.7Confident88.6Confident34 Ų3460.6 Ų60.616%0.15935%0.35CS..THydrogen-bonded Turntrans-103-21.6179-59.1-177.9-16700112.6R47 I71 S79 G152 L156R47-E75 IonicContact CZ-OE1 3.74Å; R47-E75 IonicContact NE-OE1 3.34Å; R47-E75 IonicContact NH2-OE1 3.21Å; R47-E75 PolarHBondContact NH2-OE1 3.47Å; R47-E75 IonicContact NH2-OE2 3.04Å; R47-E75 PolarHBondContact NH2-OE2 3.21Å; I71-E75 HydrophobicContact CG2-CB 4.36Å; I71-E75 WeakPolarHBondContact O-CA 3.41Å; I71-E75 WeakPolarHBondContact O-CB 3.2Å; I71-E75 PolarHBondContact O-N 2.83Å; E75-S79 WeakPolarHBondContact CB-OG 3.31Å; E75-S79 WeakPolarHBondContact OE2-CB 3.32Å; E75-S79 PolarHBondContact OE2-OG 2.93Å; E75-G152 VanDerWaalsContact OE1-C 3.27Å; E75-L156 HydrophobicContact CG-CD1 4.35Å; E75-L156 HydrophobicContact CG-CD2 4.14Å; E75-L156 HydrophobicContact CG-CG 4.28Å; E75-L156 VanDerWaalsContact OE1-CD1 3.27Å; E75-L156 WeakPolarHBondContact OE1-CD1 3.4Å
76G87.3Confident88.7Confident31 Ų3152.2 Ų52.232%0.3231%0.313SS..  trans89.9152.8-174.800000113.1I71 V72 L78 S79I71-G76 PolarHBondContact O-N 3.46Å; V72-G76 VanDerWaalsContact O-CA 3.3Å; V72-G76 WeakPolarHBondContact O-CA 3.5Å; V72-G76 PolarHBondContact O-N 2.95Å; G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 3.42Å; G76-L78 VanDerWaalsContact O-N 3.16Å; G76-S79 WeakPolarHBondContact O-CB 3.45Å; G76-S79 PolarHBondContact O-N 3.35Å; G76-S79 PolarHBondContact O-OG 2.96Å; G76-S79 VanDerWaalsContact O-OG 3.09Å
77A89Confident88.9Confident56 Ų5649.3 Ų49.346%0.46329%0.293SS..G310 helixtrans-59-32.7-173.100000114.3S79 L80A77-S79 PolarHBondContact O-N 3.02Å; A77-L80 WeakPolarHBondContact O-CB 3.32Å; A77-L80 WeakPolarHBondContact O-CG 3.23Å; A77-L80 PolarHBondContact O-N 3.4Å
78L89.9Confident89.1Confident150 Ų15050.2 Ų50.279%0.78530%0.299SS*.G310 helixtrans-69.7-19178.6-66.7176.1000113.1G76 L80 W81G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 3.42Å; G76-L78 VanDerWaalsContact O-N 3.16Å; L78-L80 PolarHBondContact O-N 3.3Å; L78-W81 PolarHBondContact O-N 3.48Å
79S87.1Confident89.2Confident21 Ų2151.3 Ų51.315%0.14731%0.305CS..G310 helixtrans-65.6-21.8176.987.40000112.2L43 I71 E75 G76 A77 W81 Q82L43-S79 VanDerWaalsContact CD1-O 3.27Å; L43-S79 WeakPolarHBondContact CD1-O 3.42Å; I71-S79 WeakPolarHBondContact CG2-OG 3.35Å; E75-S79 WeakPolarHBondContact CB-OG 3.31Å; E75-S79 WeakPolarHBondContact OE2-CB 3.32Å; E75-S79 PolarHBondContact OE2-OG 2.93Å; G76-S79 WeakPolarHBondContact O-CB 3.45Å; G76-S79 PolarHBondContact O-N 3.35Å; G76-S79 PolarHBondContact O-OG 2.96Å; G76-S79 VanDerWaalsContact O-OG 3.09Å; A77-S79 PolarHBondContact O-N 3.02Å; S79-W81 PolarHBondContact O-N 2.89Å; S79-W81 VanDerWaalsContact O-N 3.1Å; S79-Q82 WeakPolarHBondContact O-CB 3.39Å; S79-Q82 PolarHBondContact O-N 3.49Å
80L90.5Very high89.3Confident15 Ų1549.2 Ų49.28%0.07928%0.284CS..G310 helixtrans-58.8-23.2175.8-65.2172000112.5Y39 P40 L43 L68 I71 V72 A77 L78Y39-L80 WeakPolarHBondContact CD1-O 3.34Å; Y39-L80 WeakPolarHBondContact CE1-O 3.5Å; P40-L80 HydrophobicContact CB-CB 4.12Å; P40-L80 HydrophobicContact CB-CD1 4.19Å; P40-L80 HydrophobicContact CB-CD2 4.48Å; P40-L80 HydrophobicContact CG-CB 4.14Å; P40-L80 HydrophobicContact CG-CD1 4.48Å; L43-L80 WeakPolarHBondContact CD1-O 3.36Å; L43-L80 HydrophobicContact CD2-CD2 4.25Å; L68-L80 HydrophobicContact CD1-CD2 4.01Å; I71-L80 HydrophobicContact CG2-CD2 3.83Å; V72-L80 HydrophobicContact CG2-CD1 4.11Å; A77-L80 WeakPolarHBondContact O-CB 3.32Å; A77-L80 WeakPolarHBondContact O-CG 3.23Å; A77-L80 PolarHBondContact O-N 3.4Å; L78-L80 PolarHBondContact O-N 3.3Å
81W92.6Very high89.5Confident104 Ų10446 Ų4639%0.39427%0.27SS..G310 helixtrans-93.39.6175.6-75.2-89.5000114.6S36 Y39 P40 L78 S79 G83 V84S36-W81 PolarHBondContact O-NE1 3.35Å; Y39-W81 HydrophobicContact CD1-CB 4.5Å; Y39-W81 HydrophobicContact CD1-CG 4.47Å; P40-W81 HydrophobicContact CG-CH2 4.1Å; P40-W81 HydrophobicContact CG-CZ2 3.93Å; L78-W81 PolarHBondContact O-N 3.48Å; S79-W81 PolarHBondContact O-N 2.89Å; S79-W81 VanDerWaalsContact O-N 3.1Å; W81-G83 PolarHBondContact O-N 2.91Å; W81-G83 VanDerWaalsContact O-N 3.16Å; W81-V84 HydrophobicContact CB-CG1 4.47Å; W81-V84 WeakPolarHBondContact O-CB 3.19Å; W81-V84 WeakPolarHBondContact O-CG1 3.28Å; W81-V84 PolarHBondContact O-N 3.05Å
82Q87.8Confident89.7Confident59 Ų5949.9 Ų49.928%0.27629%0.285SS..THydrogen-bonded Turntrans-62119.6177.3-171175.630.300110.8Y39 L43 S79 L148 Q149Y39-Q82 VanDerWaalsContact CE1-O 3.3Å; Y39-Q82 WeakPolarHBondContact CE1-O 3.48Å; Y39-Q82 PolarHBondContact OH-O 3.47Å; L43-Q82 HydrophobicContact CD1-CB 3.99Å; S79-Q82 WeakPolarHBondContact O-CB 3.39Å; S79-Q82 PolarHBondContact O-N 3.49Å; Q82-L148 VanDerWaalsContact CD-O 3.23Å; Q82-L148 WeakPolarHBondContact CG-O 3.32Å; Q82-L148 PolarHBondContact OE1-O 3.07Å; Q82-Q149 WeakPolarHBondContact O-CG 3.42Å
83G86.6Confident89.7Confident10 Ų1049 Ų4910%0.10328%0.277CS..THydrogen-bonded Turntrans87.412.9-177.200000114.9Y39 W81 T85 P86 A87Y39-G83 VanDerWaalsContact CZ-C 3.46Å; Y39-G83 VanDerWaalsContact OH-CA 3.27Å; Y39-G83 WeakPolarHBondContact OH-CA 3.24Å; Y39-G83 PolarHBondContact OH-O 3.45Å; W81-G83 PolarHBondContact O-N 2.91Å; W81-G83 VanDerWaalsContact O-N 3.16Å; G83-T85 VanDerWaalsContact C-N 3.27Å; G83-T85 PolarHBondContact O-N 3.05Å; G83-P86 WeakPolarHBondContact O-CD 3.45Å; G83-P86 WeakPolarHBondContact O-CG 3.33Å; G83-A87 PolarHBondContact O-N 2.75Å
84V91.1Very high89.7Confident31 Ų3146 Ų4619%0.18825%0.252CS..Hα-helixtrans-61-36.8176.468.90000112Y39 W81 A87 V88Y39-V84 HydrophobicContact CD1-CB 4.32Å; Y39-V84 HydrophobicContact CD2-CB 4.29Å; Y39-V84 HydrophobicContact CD2-CG2 4.1Å; Y39-V84 HydrophobicContact CE1-CB 4.25Å; Y39-V84 HydrophobicContact CE2-CB 4.23Å; Y39-V84 HydrophobicContact CE2-CG2 4.43Å; Y39-V84 HydrophobicContact CG-CB 4.34Å; Y39-V84 HydrophobicContact CG-CG2 4.22Å; Y39-V84 PolarHBondContact OH-N 3.05Å; W81-V84 HydrophobicContact CB-CG1 4.47Å; W81-V84 WeakPolarHBondContact O-CB 3.19Å; W81-V84 WeakPolarHBondContact O-CG1 3.28Å; W81-V84 PolarHBondContact O-N 3.05Å; V84-A87 CarbonylContact O-C 3.58Å; V84-A87 WeakPolarHBondContact O-CA 3.46Å; V84-A87 VanDerWaalsContact O-CB 3.32Å; V84-A87 WeakPolarHBondContact O-CB 3.45Å; V84-A87 PolarHBondContact O-N 3.43Å; V84-V88 HydrophobicContact CG2-CG2 4.19Å; V84-V88 WeakPolarHBondContact O-CG2 3.48Å; V84-V88 PolarHBondContact O-N 2.78Å
85T92.6Very high89.7Confident92 Ų9244.9 Ų44.956%0.56424%0.243SC*.Hα-helixtrans-56.3-53.1-179.5-470000114.2G83 A87 V88 L89 V166G83-T85 VanDerWaalsContact C-N 3.27Å; G83-T85 PolarHBondContact O-N 3.05Å; T85-A87 PolarHBondContact O-N 3.35Å; T85-V88 PolarHBondContact O-N 3.39Å; T85-L89 PolarHBondContact O-N 3.39Å; T85-V166 HydrophobicContact CG2-CG2 4.16Å
86P91.1Very high89.8Confident1 Ų144 Ų441%0.00624%0.243CC..Hα-helixtrans-66-27.9175.728.2-38000112.3G83 L89 R90 I144 K145 L148 V166G83-P86 WeakPolarHBondContact O-CD 3.45Å; G83-P86 WeakPolarHBondContact O-CG 3.33Å; P86-L89 PolarHBondContact O-N 2.7Å; P86-R90 VanDerWaalsContact O-CB 3.28Å; P86-R90 WeakPolarHBondContact O-CB 3.38Å; P86-R90 PolarHBondContact O-N 2.96Å; P86-I144 HydrophobicContact CB-CB 4.48Å; P86-I144 HydrophobicContact CB-CG2 4.18Å; P86-I144 HydrophobicContact CG-CG2 4.38Å; P86-K145 HydrophobicContact CB-CB 4.13Å; P86-K145 HydrophobicContact CG-CB 3.91Å; P86-K145 HydrophobicContact CG-CG 4.48Å; P86-L148 HydrophobicContact CG-CD1 4.02Å; P86-V166 HydrophobicContact CG-CG2 4.42Å
87A91.4Very high89.9Confident0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-67.4-38.9174.200000112.2E35 Y39 G83 V84 T85 R90 H91 K145E35-A87 HydrophobicContact CG-CB 4.11Å; Y39-A87 HydrophobicContact CD2-CB 4.25Å; Y39-A87 HydrophobicContact CE2-CB 3.63Å; G83-A87 PolarHBondContact O-N 2.75Å; V84-A87 CarbonylContact O-C 3.58Å; V84-A87 WeakPolarHBondContact O-CA 3.46Å; V84-A87 VanDerWaalsContact O-CB 3.32Å; V84-A87 WeakPolarHBondContact O-CB 3.45Å; V84-A87 PolarHBondContact O-N 3.43Å; T85-A87 PolarHBondContact O-N 3.35Å; A87-R90 WeakPolarHBondContact O-CB 3.39Å; A87-H91 PolarHBondContact O-CE1 2.99Å; A87-H91 PolarHBondContact O-N 3.3Å; A87-H91 PolarHBondContact O-ND1 2.93Å; A87-K145 HydrophobicContact CB-CD 3.8Å; A87-K145 HydrophobicContact CB-CG 4.48Å
88V92.3Very high89.9Confident30 Ų3048.9 Ų48.918%0.18224%0.243CC..Hα-helixtrans-65.6-50.9172.3171.30000110.3T32 V84 T85 R90 H91 Y92T32-V88 HydrophobicContact CG2-CB 4.37Å; T32-V88 HydrophobicContact CG2-CG1 3.71Å; T32-V88 HydrophobicContact CG2-CG2 3.76Å; V84-V88 HydrophobicContact CG2-CG2 4.19Å; V84-V88 WeakPolarHBondContact O-CG2 3.48Å; V84-V88 PolarHBondContact O-N 2.78Å; T85-V88 PolarHBondContact O-N 3.39Å; V88-R90 PolarHBondContact O-N 3.31Å; V88-H91 WeakPolarHBondContact O-CB 3.46Å; V88-H91 PolarHBondContact O-N 3.42Å; V88-Y92 HydrophobicContact CG1-CD2 4.35Å; V88-Y92 HydrophobicContact CG1-CE2 3.77Å; V88-Y92 VanDerWaalsContact O-CD2 3.31Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å
89L91.6Very high89.7Confident80 Ų8044 Ų4442%0.41922%0.219SC..Hα-helixtrans-55.3-39.3177.5-177.862.3000112.1T85 P86 H91 Y92 I93 T141T85-L89 PolarHBondContact O-N 3.39Å; P86-L89 PolarHBondContact O-N 2.7Å; L89-H91 VanDerWaalsContact C-N 3.26Å; L89-H91 PolarHBondContact O-N 2.95Å; L89-Y92 PolarHBondContact O-N 3.21Å; L89-I93 HydrophobicContact CD1-CD1 4.4Å; L89-I93 HydrophobicContact CG-CD1 4.1Å; L89-I93 PolarHBondContact O-N 3.38Å; L89-I93 VanDerWaalsContact O-N 3.09Å; L89-T141 HydrophobicContact CD2-CG2 3.86Å; L89-T141 HydrophobicContact CG-CG2 4.01Å
90R90.3Very high89.8Confident36 Ų3646.6 Ų46.614%0.13623%0.234CC..Hα-helixtrans-56.9-36.6175.2-171.9-156.272.982.30.7112.2P86 A87 V88 I93 Y94 A138 D142P86-R90 VanDerWaalsContact O-CB 3.28Å; P86-R90 WeakPolarHBondContact O-CB 3.38Å; P86-R90 PolarHBondContact O-N 2.96Å; A87-R90 WeakPolarHBondContact O-CB 3.39Å; V88-R90 PolarHBondContact O-N 3.31Å; R90-I93 PolarHBondContact O-N 3.47Å; R90-Y94 WeakPolarHBondContact O-CB 3.41Å; R90-Y94 PolarHBondContact O-N 2.91Å; R90-A138 HydrophobicContact CG-CB 4.23Å; R90-D142 WeakPolarHBondContact CD-OD1 3.48Å
91H90.3Very high89.8Confident5 Ų547.3 Ų47.32%0.02324%0.237CC..Hα-helixtrans-65.8-41.7179.1-72.491000112.1A31 E35 A87 V88 L89 T95A31-H91 HydrophobicContact CB-CB 4.34Å; E35-H91 VanDerWaalsContact CB-CE1 3.47Å; E35-H91 WeakPolarHBondContact CB-CE1 3.24Å; E35-H91 IonicContact OE2-CE1 3.59Å; A87-H91 PolarHBondContact O-CE1 2.99Å; A87-H91 PolarHBondContact O-N 3.3Å; A87-H91 PolarHBondContact O-ND1 2.93Å; V88-H91 WeakPolarHBondContact O-CB 3.46Å; V88-H91 PolarHBondContact O-N 3.42Å; L89-H91 VanDerWaalsContact C-N 3.26Å; L89-H91 PolarHBondContact O-N 2.95Å; H91-T95 WeakPolarHBondContact O-CB 3.46Å; H91-T95 PolarHBondContact O-N 3.37Å; H91-T95 PolarHBondContact O-OG1 3.18Å
92Y90Very high89.6Confident81 Ų8145.4 Ų45.432%0.31823%0.231SC..Hα-helixtrans-62.6-48.3174.5-66.5-88.2000110.7Y24 C28 V88 L89 G96Y24-Y92 PolarHBondContact OH-O 2.81Å; C28-Y92 HydrophobicContact CB-CD1 3.72Å; C28-Y92 HydrophobicContact CB-CE1 3.53Å; C28-Y92 HydrophobicContact CB-CG 4.35Å; V88-Y92 HydrophobicContact CG1-CD2 4.35Å; V88-Y92 HydrophobicContact CG1-CE2 3.77Å; V88-Y92 VanDerWaalsContact O-CD2 3.31Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å; L89-Y92 PolarHBondContact O-N 3.21Å; Y92-G96 PolarHBondContact O-N 2.79Å
93I91.2Very high89.6Confident45 Ų4546 Ų4623%0.23123%0.233CC..Hα-helixtrans-66.9-53.7-178.8-61.1178.3000110.9L89 R90 T95 G96 F97 V137 A138 T141L89-I93 HydrophobicContact CD1-CD1 4.4Å; L89-I93 HydrophobicContact CG-CD1 4.1Å; L89-I93 PolarHBondContact O-N 3.38Å; L89-I93 VanDerWaalsContact O-N 3.09Å; R90-I93 PolarHBondContact O-N 3.47Å; I93-T95 PolarHBondContact O-N 2.8Å; I93-G96 PolarHBondContact O-N 3.02Å; I93-F97 HydrophobicContact CG2-CD2 3.94Å; I93-F97 HydrophobicContact CG2-CE2 4.21Å; I93-F97 VanDerWaalsContact O-CD2 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.36Å; I93-F97 PolarHBondContact O-N 3.25Å; I93-F97 VanDerWaalsContact O-N 3.08Å; I93-V137 HydrophobicContact CG2-CG1 3.89Å; I93-A138 HydrophobicContact CG2-CB 4.47Å; I93-T141 HydrophobicContact CD1-CG2 3.65Å
94Y89.5Confident89.7Confident29 Ų2950.4 Ų50.411%0.11425%0.251CS..Hα-helixtrans-62.7-47.7-173.9179.2-96.4000112.3R90 R98 A134 Q135 A138R90-Y94 WeakPolarHBondContact O-CB 3.41Å; R90-Y94 PolarHBondContact O-N 2.91Å; Y94-R98 WeakPolarHBondContact O-CB 3.3Å; Y94-R98 PolarHBondContact O-N 3.14Å; Y94-R98 PolarHBondContact OH-NH1 3.06Å; Y94-A134 HydrophobicContact CD2-CB 3.85Å; Y94-A134 HydrophobicContact CE2-CB 3.82Å; Y94-Q135 HydrophobicContact CE2-CB 4.15Å; Y94-A138 HydrophobicContact CD2-CB 4.24Å
95T86.8Confident89.5Confident32 Ų3249.6 Ų49.620%0.19625%0.247CC..Hα-helixtrans-65.3-43.2-178.6-57.80000110.6Y24 H91 I93 R98 V99Y24-T95 HydrophobicContact CD2-CG2 4.03Å; Y24-T95 HydrophobicContact CE2-CG2 3.86Å; H91-T95 WeakPolarHBondContact O-CB 3.46Å; H91-T95 PolarHBondContact O-N 3.37Å; H91-T95 PolarHBondContact O-OG1 3.18Å; I93-T95 PolarHBondContact O-N 2.8Å; T95-R98 PolarHBondContact O-N 3.37Å; T95-V99 HydrophobicContact CG2-CG2 4.49Å; T95-V99 WeakPolarHBondContact O-CG2 3.19Å; T95-V99 PolarHBondContact O-N 3.42Å
96G86.6Confident89.3Confident16 Ų1648.1 Ų48.117%0.16523%0.231CC..Hα-helixtrans-62.7-51.2-177.600000111.5Y24 Y92 I93 R98 V99 V100Y24-G96 VanDerWaalsContact CE2-N 3.33Å; Y92-G96 PolarHBondContact O-N 2.79Å; I93-G96 PolarHBondContact O-N 3.02Å; G96-R98 PolarHBondContact O-N 3.01Å; G96-V99 PolarHBondContact O-N 2.81Å; G96-V100 WeakPolarHBondContact O-CG2 3.47Å; G96-V100 PolarHBondContact O-N 2.9Å
97F89.7Confident89Confident99 Ų9951.7 Ų51.743%0.43425%0.247SC..Hα-helixtrans-65.7-38.8177.8-82.5-88.2000112.5I93 V99 V100 I101 A134 V137I93-F97 HydrophobicContact CG2-CD2 3.94Å; I93-F97 HydrophobicContact CG2-CE2 4.21Å; I93-F97 VanDerWaalsContact O-CD2 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.36Å; I93-F97 PolarHBondContact O-N 3.25Å; I93-F97 VanDerWaalsContact O-N 3.08Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 2.84Å; F97-V100 PolarHBondContact O-N 3.12Å; F97-I101 HydrophobicContact CB-CD1 4.19Å; F97-I101 HydrophobicContact CD1-CD1 4.39Å; F97-I101 VanDerWaalsContact O-CB 3.27Å; F97-I101 WeakPolarHBondContact O-CB 3.36Å; F97-I101 WeakPolarHBondContact O-CD1 3.13Å; F97-I101 WeakPolarHBondContact O-CG1 3.05Å; F97-I101 PolarHBondContact O-N 2.99Å; F97-A134 HydrophobicContact CB-CB 4.19Å; F97-V137 HydrophobicContact CD1-CB 4.4Å; F97-V137 HydrophobicContact CD1-CG1 4.07Å; F97-V137 HydrophobicContact CD1-CG2 4.09Å; F97-V137 HydrophobicContact CD2-CG1 3.74Å; F97-V137 HydrophobicContact CE1-CG1 4.02Å; F97-V137 HydrophobicContact CE1-CG2 4.32Å; F97-V137 HydrophobicContact CE2-CG1 3.68Å; F97-V137 HydrophobicContact CG-CB 4.31Å; F97-V137 HydrophobicContact CG-CG1 3.92Å; F97-V137 HydrophobicContact CG-CG2 4.46Å; F97-V137 HydrophobicContact CZ-CG1 3.83Å
98R88.3Confident88.8Confident91 Ų9157.2 Ų57.234%0.34327%0.273SS..Hα-helixtrans-60.4-44.3178.9-178.1177.1175.7177.5-2111.5Y94 T95 G96 Y102 A134Y94-R98 WeakPolarHBondContact O-CB 3.3Å; Y94-R98 PolarHBondContact O-N 3.14Å; Y94-R98 PolarHBondContact OH-NH1 3.06Å; T95-R98 PolarHBondContact O-N 3.37Å; G96-R98 PolarHBondContact O-N 3.01Å; R98-Y102 WeakPolarHBondContact O-CB 3.1Å; R98-Y102 PolarHBondContact O-N 2.99Å; R98-A134 HydrophobicContact CB-CB 3.75Å
99V87.2Confident88.4Confident47 Ų4760.4 Ų60.429%0.28529%0.292SS..Hα-helixtrans-68-48.3-178.7-179.70000111F20 T95 G96 F97 I101 Y102 E103F20-V99 HydrophobicContact CE2-CG1 3.34Å; F20-V99 HydrophobicContact CZ-CB 4.21Å; F20-V99 HydrophobicContact CZ-CG1 3.37Å; T95-V99 HydrophobicContact CG2-CG2 4.49Å; T95-V99 WeakPolarHBondContact O-CG2 3.19Å; T95-V99 PolarHBondContact O-N 3.42Å; G96-V99 PolarHBondContact O-N 2.81Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 2.84Å; V99-I101 PolarHBondContact O-N 3.39Å; V99-Y102 WeakPolarHBondContact O-CB 3.31Å; V99-Y102 PolarHBondContact O-N 3.4Å; V99-E103 WeakPolarHBondContact O-CG 3.37Å; V99-E103 PolarHBondContact O-N 3.41Å
100V88.6Confident88.1Confident76 Ų7658.3 Ų58.346%0.46128%0.28SS..Hα-helixtrans-59.7-48.2178.7174.60000111G96 F97 Y102 E103 E104G96-V100 WeakPolarHBondContact O-CG2 3.47Å; G96-V100 PolarHBondContact O-N 2.9Å; F97-V100 PolarHBondContact O-N 3.12Å; V100-Y102 VanDerWaalsContact C-N 3.29Å; V100-Y102 PolarHBondContact O-N 2.59Å; V100-E103 PolarHBondContact O-N 2.97Å; V100-E104 HydrophobicContact CG1-CG 4.35Å; V100-E104 WeakPolarHBondContact O-CB 3.5Å; V100-E104 WeakPolarHBondContact O-CG 3.45Å; V100-E104 PolarHBondContact O-N 3.49Å
101I89.9Confident87.8Confident29 Ų2964.7 Ų64.715%0.14930%0.304CS..Hα-helixtrans-65.5-36.1179.8-62.6165.4000110.8F97 V99 C105 L133F97-I101 HydrophobicContact CB-CD1 4.19Å; F97-I101 HydrophobicContact CD1-CD1 4.39Å; F97-I101 VanDerWaalsContact O-CB 3.27Å; F97-I101 WeakPolarHBondContact O-CB 3.36Å; F97-I101 WeakPolarHBondContact O-CD1 3.13Å; F97-I101 WeakPolarHBondContact O-CG1 3.05Å; F97-I101 PolarHBondContact O-N 2.99Å; V99-I101 PolarHBondContact O-N 3.39Å; I101-C105 VanDerWaalsContact O-CB 3.23Å; I101-C105 WeakPolarHBondContact O-CB 3.35Å; I101-C105 PolarHBondContact O-N 3.09Å; I101-C105 PolarHBondContact O-SG 3.34Å; I101-L133 HydrophobicContact CD1-CB 3.75Å; I101-L133 HydrophobicContact CG2-CB 4.35Å; I101-L133 HydrophobicContact CG2-CD1 3.86Å
102Y88.2Confident87.5Confident65 Ų6570.2 Ų70.226%0.25533%0.325SS..Hα-helixtrans-63.5-44.9176.2-173.4-81.7000111.5R98 V99 V100 R106 T126R98-Y102 WeakPolarHBondContact O-CB 3.1Å; R98-Y102 PolarHBondContact O-N 2.99Å; V99-Y102 WeakPolarHBondContact O-CB 3.31Å; V99-Y102 PolarHBondContact O-N 3.4Å; V100-Y102 VanDerWaalsContact C-N 3.29Å; V100-Y102 PolarHBondContact O-N 2.59Å; Y102-R106 VanDerWaalsContact O-CB 3.23Å; Y102-R106 WeakPolarHBondContact O-CB 3.18Å; Y102-R106 PolarHBondContact O-N 3.19Å; Y102-T126 HydrophobicContact CD1-CG2 4.33Å; Y102-T126 HydrophobicContact CD2-CG2 3.59Å; Y102-T126 HydrophobicContact CE1-CG2 4.48Å; Y102-T126 HydrophobicContact CE2-CG2 3.76Å; Y102-T126 HydrophobicContact CG-CG2 3.88Å; Y102-T126 WeakPolarHBondContact O-CG2 3.32Å
103E87.8Confident87Confident71 Ų7168.7 Ų68.733%0.33232%0.322SS..Hα-helixtrans-63.9-48.3177.1-71.4179.8163.100111.5V99 V100 C105 R106 E107V99-E103 WeakPolarHBondContact O-CG 3.37Å; V99-E103 PolarHBondContact O-N 3.41Å; V100-E103 PolarHBondContact O-N 2.97Å; E103-C105 PolarHBondContact O-N 3.44Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 VanDerWaalsContact O-N 3.14Å; E103-E107 WeakPolarHBondContact O-CG 3.23Å; E103-E107 PolarHBondContact O-N 2.93Å
104E89.1Confident86.3Confident102 Ų10272.9 Ų72.948%0.47735%0.352SS..Hα-helixtrans-59.4-45.3177-73.6-59.4142.100112.3V100 R106 H108V100-E104 HydrophobicContact CG1-CG 4.35Å; V100-E104 WeakPolarHBondContact O-CB 3.5Å; V100-E104 WeakPolarHBondContact O-CG 3.45Å; V100-E104 PolarHBondContact O-N 3.49Å; E104-R106 PolarHBondContact O-N 3.09Å; E104-H108 VanDerWaalsContact O-CB 3.32Å; E104-H108 WeakPolarHBondContact O-CB 3.33Å; E104-H108 PolarHBondContact O-N 3.28Å; E104-H108 IonicContact OE2-CE1 3.24Å; E104-H108 PolarHBondContact OE2-CE1 3.01Å; E104-H108 IonicContact OE2-CG 2.66Å; E104-H108 IonicContact OE2-ND1 3.16Å; E104-H108 PolarHBondContact OE2-ND1 3.5Å
105C88Confident85.8Confident14 Ų1477.9 Ų77.910%0.09538%0.381CS..Iπ-helixtrans-65.8-37.7175.6-74.90000112.3I101 E103 V109 F110 T126I101-C105 VanDerWaalsContact O-CB 3.23Å; I101-C105 WeakPolarHBondContact O-CB 3.35Å; I101-C105 PolarHBondContact O-N 3.09Å; I101-C105 PolarHBondContact O-SG 3.34Å; E103-C105 PolarHBondContact O-N 3.44Å; C105-V109 WeakPolarHBondContact O-CB 3.45Å; C105-V109 PolarHBondContact O-N 2.95Å; C105-F110 HydrophobicContact CB-CD2 4.49Å; C105-F110 WeakPolarHBondContact O-CD2 3.49Å; C105-F110 PolarHBondContact O-N 2.78Å; C105-T126 HydrophobicContact CB-CG2 3.45Å; C105-T126 VanDerWaalsContact CB-CG2 3.45Å
106R87Confident85.4Confident62 Ų6278.5 Ų78.523%0.23439%0.394CS..Iπ-helixtrans-66.8-47179.3-178.1179.272.3-159.1-7.4111.5Y102 E103 E104 R111 F118Y102-R106 VanDerWaalsContact O-CB 3.23Å; Y102-R106 WeakPolarHBondContact O-CB 3.18Å; Y102-R106 PolarHBondContact O-N 3.19Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 VanDerWaalsContact O-N 3.14Å; E104-R106 PolarHBondContact O-N 3.09Å; R106-R111 WeakPolarHBondContact O-CA 3.49Å; R106-R111 PolarHBondContact O-N 3.27Å; R106-R111 VanDerWaalsContact O-N 3.11Å; R106-F118 HydrophobicContact CB-CE1 4.41Å; R106-F118 HydrophobicContact CB-CZ 4.13Å; R106-F118 HydrophobicContact CG-CD1 4.16Å; R106-F118 HydrophobicContact CG-CD2 4.04Å; R106-F118 HydrophobicContact CG-CE1 3.86Å; R106-F118 HydrophobicContact CG-CE2 3.8Å; R106-F118 HydrophobicContact CG-CG 4.25Å; R106-F118 HydrophobicContact CG-CZ 3.73Å
107E86Confident85.1Confident75 Ų7581.4 Ų81.435%0.3541%0.408SS..Iπ-helixtrans-82-40.7-174.6-58.2-51.3147.800112.5E103 R111 R112E103-E107 WeakPolarHBondContact O-CG 3.23Å; E103-E107 PolarHBondContact O-N 2.93Å; E107-R111 WeakPolarHBondContact O-CG 3.15Å; E107-R112 IonicContact OE1-CZ 2.67Å; E107-R112 IonicContact OE1-NE 3.98Å; E107-R112 PolarHBondContact OE1-NE 3.05Å; E107-R112 IonicContact OE1-NH2 3.91Å; E107-R112 PolarHBondContact OE1-NH2 3.45Å; E107-R112 IonicContact OE2-NE 3.98Å
108H85.8Confident84.8Confident117 Ų11778.9 Ų78.954%0.54240%0.397SS..Iπ-helixtrans-96.7-41.8-173.6-62.7107.7000114.1E104E104-H108 VanDerWaalsContact O-CB 3.32Å; E104-H108 WeakPolarHBondContact O-CB 3.33Å; E104-H108 PolarHBondContact O-N 3.28Å; E104-H108 IonicContact OE2-CE1 3.24Å; E104-H108 PolarHBondContact OE2-CE1 3.01Å; E104-H108 IonicContact OE2-CG 2.66Å; E104-H108 IonicContact OE2-ND1 3.16Å; E104-H108 PolarHBondContact OE2-ND1 3.5Å
109V84.8Confident84.6Confident96 Ų9675.6 Ų75.658%0.58239%0.389SS*.Iπ-helixtrans-86.8-59.2-170.8-179.20000111.6C105C105-V109 WeakPolarHBondContact O-CB 3.45Å; C105-V109 PolarHBondContact O-N 2.95Å
110F85.4Confident84.5Confident37 Ų3779.1 Ų79.116%0.16241%0.406CS..Iπ-helixtrans-88.1-28.2-175-69.3-76.7000113.2C105 F118 W121 K122 L125 T126 L129C105-F110 HydrophobicContact CB-CD2 4.49Å; C105-F110 WeakPolarHBondContact O-CD2 3.49Å; C105-F110 PolarHBondContact O-N 2.78Å; F110-F118 HydrophobicContact CB-CE2 3.84Å; F110-F118 HydrophobicContact CB-CZ 4.09Å; F110-W121 HydrophobicContact CE1-CZ3 4.47Å; F110-K122 HydrophobicContact CB-CB 4.11Å; F110-K122 HydrophobicContact CB-CD 4.15Å; F110-K122 HydrophobicContact CB-CG 4.22Å; F110-K122 HydrophobicContact CD1-CB 4.33Å; F110-K122 HydrophobicContact CD1-CG 4.24Å; F110-K122 HydrophobicContact CG-CB 4.32Å; F110-K122 WeakPolarHBondContact O-CE 3.5Å; F110-K122 PolarHBondContact O-NZ 3.43Å; F110-L125 HydrophobicContact CE1-CB 3.83Å; F110-L125 HydrophobicContact CE1-CD1 3.78Å; F110-L125 HydrophobicContact CE1-CG 4.5Å; F110-L125 HydrophobicContact CE2-CB 4.2Å; F110-L125 HydrophobicContact CZ-CB 3.47Å; F110-L125 VanDerWaalsContact CZ-CB 3.47Å; F110-L125 HydrophobicContact CZ-CD1 4.16Å; F110-L125 HydrophobicContact CZ-CG 4.49Å; F110-T126 WeakPolarHBondContact CD2-OG1 3.43Å; F110-T126 VanDerWaalsContact CE2-OG1 3.31Å; F110-T126 WeakPolarHBondContact CE2-OG1 3.26Å; F110-L129 HydrophobicContact CE2-CD1 3.86Å; F110-L129 HydrophobicContact CZ-CD1 3.81Å
111R82.9Confident84.2Confident170 Ų17082.5 Ų82.564%0.64241%0.411SS*.  trans54.3149.5-174.7-61.5179.5-178.1-174.2-1.4113.1R106 E107 K122R106-R111 WeakPolarHBondContact O-CA 3.49Å; R106-R111 PolarHBondContact O-N 3.27Å; R106-R111 VanDerWaalsContact O-N 3.11Å; E107-R111 WeakPolarHBondContact O-CG 3.15Å; R111-K122 PolarHBondContact O-NZ 2.92Å
112R83.7Confident84.1Confident121 Ų12182.3 Ų82.346%0.45741%0.409SS..  trans-68.7150.1171.9-60.6-176.4-167.2-170.31.9109.5E107E107-R112 IonicContact OE1-CZ 2.67Å; E107-R112 IonicContact OE1-NE 3.98Å; E107-R112 PolarHBondContact OE1-NE 3.05Å; E107-R112 IonicContact OE1-NH2 3.91Å; E107-R112 PolarHBondContact OE1-NH2 3.45Å; E107-R112 IonicContact OE2-NE 3.98Å
113N80.8Confident84Confident48 Ų4880.4 Ų80.426%0.25741%0.407SS..  trans-65.5162.1171.4-68.6-13.8000109.5D115 G116 T117 K122N113-D115 PolarHBondContact O-N 3.46Å; N113-D115 VanDerWaalsContact O-N 3.09Å; N113-G116 PolarHBondContact O-N 3.3Å; N113-T117 WeakPolarHBondContact CB-O 3.47Å; N113-T117 PolarHBondContact N-O 3.44Å; N113-K122 PolarHBondContact OD1-NZ 2.95Å
114P75.9Confident83.8Confident133 Ų13380.4 Ų80.486%0.86441%0.407SS*.THydrogen-bonded Turntrans-52.6-32.5177.1-25.934.7000113.1G116P114-G116 PolarHBondContact O-N 2.95Å; P114-G116 VanDerWaalsContact O-N 3.11Å
115D79.1Confident83.8Confident135 Ų13579.3 Ų79.372%0.72240%0.404SS*.THydrogen-bonded Turntrans-73.54.5178.2-44.8-33.3000113.7N113 T117N113-D115 PolarHBondContact O-N 3.46Å; N113-D115 VanDerWaalsContact O-N 3.09Å; D115-T117 HydrophobicContact CB-CG2 4.33Å; D115-T117 PolarHBondContact O-N 3.21Å; D115-T117 VanDerWaalsContact O-N 3.07Å
116G77.8Confident83.8Confident45 Ų4578.6 Ų78.646%0.46440%0.4SS..SBendtrans73.1-9.5-173.100000114.4N113 P114N113-G116 PolarHBondContact O-N 3.3Å; P114-G116 PolarHBondContact O-N 2.95Å; P114-G116 VanDerWaalsContact O-N 3.11Å
117T81.9Confident83.9Confident76 Ų7676.1 Ų76.147%0.46639%0.393SS..  trans-73144.8178.662.80000111.5N113 D115N113-T117 WeakPolarHBondContact CB-O 3.47Å; N113-T117 PolarHBondContact N-O 3.44Å; D115-T117 HydrophobicContact CB-CG2 4.33Å; D115-T117 PolarHBondContact O-N 3.21Å; D115-T117 VanDerWaalsContact O-N 3.07Å
118F82.1Confident84Confident46 Ų4674 Ų7420%0.20239%0.385CS..  trans-106.8103172.8-165.5-126.9000108.5R106 F110 L120 K122 A123R106-F118 HydrophobicContact CB-CE1 4.41Å; R106-F118 HydrophobicContact CB-CZ 4.13Å; R106-F118 HydrophobicContact CG-CD1 4.16Å; R106-F118 HydrophobicContact CG-CD2 4.04Å; R106-F118 HydrophobicContact CG-CE1 3.86Å; R106-F118 HydrophobicContact CG-CE2 3.8Å; R106-F118 HydrophobicContact CG-CG 4.25Å; R106-F118 HydrophobicContact CG-CZ 3.73Å; F110-F118 HydrophobicContact CB-CE2 3.84Å; F110-F118 HydrophobicContact CB-CZ 4.09Å; F118-L120 PolarHBondContact O-N 3.18Å; F118-K122 HydrophobicContact CD2-CB 4.12Å; F118-K122 HydrophobicContact CD2-CD 4.23Å; F118-K122 HydrophobicContact CE1-CB 4.25Å; F118-K122 HydrophobicContact CE2-CB 3.55Å; F118-K122 HydrophobicContact CE2-CD 3.99Å; F118-K122 HydrophobicContact CE2-CG 4.4Å; F118-K122 HydrophobicContact CZ-CB 3.6Å; F118-A123 HydrophobicContact CD1-CB 3.68Å; F118-A123 HydrophobicContact CE1-CB 3.66Å
119A85.6Confident84.3Confident22 Ų2272 Ų7218%0.18238%0.378CS..  trans-53.4140.7-176.200000111.3W121 K122 A123A119-W121 VanDerWaalsContact C-N 3.33Å; A119-W121 PolarHBondContact O-N 3.27Å; A119-K122 HydrophobicContact CB-CD 4.28Å; A119-K122 HydrophobicContact CB-CG 4.26Å; A119-K122 WeakPolarHBondContact O-CA 3.35Å; A119-K122 WeakPolarHBondContact O-CB 3.38Å; A119-K122 PolarHBondContact O-N 3.46Å; A119-A123 PolarHBondContact O-N 3.14Å; A119-A123 VanDerWaalsContact O-N 3.09Å
120L83.1Confident84.6Confident121 Ų12167.5 Ų67.563%0.63435%0.351SS*.Hα-helixtrans-51.2-52-176.3-179.461.9000111.1F118 K122 A123 M124F118-L120 PolarHBondContact O-N 3.18Å; L120-K122 PolarHBondContact O-N 2.69Å; L120-K122 VanDerWaalsContact O-N 3.15Å; L120-A123 CarbonylContact O-C 3.51Å; L120-A123 WeakPolarHBondContact O-CA 3.45Å; L120-A123 VanDerWaalsContact O-CB 3.3Å; L120-A123 WeakPolarHBondContact O-CB 3.33Å; L120-A123 PolarHBondContact O-N 2.86Å; L120-M124 HydrophobicContact CD1-CG 4.49Å; L120-M124 HydrophobicContact CG-CG 4.34Å; L120-M124 HydrophobicContact CG-SD 4.03Å; L120-M124 WeakPolarHBondContact O-CG 3.45Å; L120-M124 PolarHBondContact O-N 3.32Å
121W82.8Confident84.8Confident148 Ų14865.7 Ų65.756%0.56134%0.343SS*.Hα-helixtrans-57.2-32.9179.677.7-93.6000114F110 A119 M124 L125F110-W121 HydrophobicContact CE1-CZ3 4.47Å; A119-W121 VanDerWaalsContact C-N 3.33Å; A119-W121 PolarHBondContact O-N 3.27Å; W121-M124 WeakPolarHBondContact O-CB 3.19Å; W121-M124 PolarHBondContact O-N 2.89Å; W121-L125 HydrophobicContact CE3-CD1 3.57Å; W121-L125 HydrophobicContact CE3-CG 4.4Å; W121-L125 HydrophobicContact CZ3-CD1 3.53Å; W121-L125 WeakPolarHBondContact O-CG 3.34Å; W121-L125 PolarHBondContact O-N 3.38Å; W121-L125 VanDerWaalsContact O-N 3.12Å
122K87.8Confident85.3Confident25 Ų2558.8 Ų58.811%0.10932%0.322CS..Hα-helixtrans-68-45.6173.2-66.8179.5168.8-174.10110.1F110 R111 N113 F118 A119 L120 M124 L125 T126F110-K122 HydrophobicContact CB-CB 4.11Å; F110-K122 HydrophobicContact CB-CD 4.15Å; F110-K122 HydrophobicContact CB-CG 4.22Å; F110-K122 HydrophobicContact CD1-CB 4.33Å; F110-K122 HydrophobicContact CD1-CG 4.24Å; F110-K122 HydrophobicContact CG-CB 4.32Å; F110-K122 WeakPolarHBondContact O-CE 3.5Å; F110-K122 PolarHBondContact O-NZ 3.43Å; R111-K122 PolarHBondContact O-NZ 2.92Å; N113-K122 PolarHBondContact OD1-NZ 2.95Å; F118-K122 HydrophobicContact CD2-CB 4.12Å; F118-K122 HydrophobicContact CD2-CD 4.23Å; F118-K122 HydrophobicContact CE1-CB 4.25Å; F118-K122 HydrophobicContact CE2-CB 3.55Å; F118-K122 HydrophobicContact CE2-CD 3.99Å; F118-K122 HydrophobicContact CE2-CG 4.4Å; F118-K122 HydrophobicContact CZ-CB 3.6Å; A119-K122 HydrophobicContact CB-CD 4.28Å; A119-K122 HydrophobicContact CB-CG 4.26Å; A119-K122 WeakPolarHBondContact O-CA 3.35Å; A119-K122 WeakPolarHBondContact O-CB 3.38Å; A119-K122 PolarHBondContact O-N 3.46Å; L120-K122 PolarHBondContact O-N 2.69Å; L120-K122 VanDerWaalsContact O-N 3.15Å; K122-M124 PolarHBondContact O-N 3.48Å; K122-L125 PolarHBondContact O-N 3.3Å; K122-T126 WeakPolarHBondContact O-CB 3.42Å; K122-T126 PolarHBondContact O-N 2.88Å; K122-T126 PolarHBondContact O-OG1 2.91Å
123A86.2Confident85.7Confident25 Ų2557.1 Ų57.121%0.20732%0.322CS..Hα-helixtrans-59.3-36.1175.400000113F118 A119 L120 G127F118-A123 HydrophobicContact CD1-CB 3.68Å; F118-A123 HydrophobicContact CE1-CB 3.66Å; A119-A123 PolarHBondContact O-N 3.14Å; A119-A123 VanDerWaalsContact O-N 3.09Å; L120-A123 CarbonylContact O-C 3.51Å; L120-A123 WeakPolarHBondContact O-CA 3.45Å; L120-A123 VanDerWaalsContact O-CB 3.3Å; L120-A123 WeakPolarHBondContact O-CB 3.33Å; L120-A123 PolarHBondContact O-N 2.86Å; A123-G127 PolarHBondContact O-N 3.05Å
124M84.8Confident86.3Confident71 Ų7154.9 Ų54.935%0.3531%0.309SS..Hα-helixtrans-62.4-53.8175.1-61.3173.460.500111.4L120 W121 K122 T126 G127 V128 M201L120-M124 HydrophobicContact CD1-CG 4.49Å; L120-M124 HydrophobicContact CG-CG 4.34Å; L120-M124 HydrophobicContact CG-SD 4.03Å; L120-M124 WeakPolarHBondContact O-CG 3.45Å; L120-M124 PolarHBondContact O-N 3.32Å; W121-M124 WeakPolarHBondContact O-CB 3.19Å; W121-M124 PolarHBondContact O-N 2.89Å; K122-M124 PolarHBondContact O-N 3.48Å; M124-T126 PolarHBondContact O-N 2.9Å; M124-G127 PolarHBondContact O-N 3.29Å; M124-G127 VanDerWaalsContact O-N 3.16Å; M124-V128 WeakPolarHBondContact O-CG2 3.23Å; M124-V128 PolarHBondContact O-N 3.12Å; M124-M201 HydrophobicContact CB-CE 3.77Å; M124-M201 HydrophobicContact CB-SD 4.36Å; M124-M201 HydrophobicContact CE-CE 3.03Å; M124-M201 HydrophobicContact CE-CG 4.48Å; M124-M201 HydrophobicContact CE-SD 3.64Å; M124-M201 HydrophobicContact CG-CE 3.31Å; M124-M201 HydrophobicContact CG-SD 3.3Å; M124-M201 WeakPolarHBondContact CG-SD 3.47Å; M124-M201 HydrophobicContact SD-CE 3.7Å; M124-M201 HydrophobicContact SD-SD 3.61Å; M124-M201 VanDerWaalsContact SD-SD 3.61Å
125L88.1Confident87.2Confident78 Ų7848.9 Ų48.941%0.40827%0.27SS..Hα-helixtrans-64.7-41.4-178.9-67.8178.1000111.5F110 W121 K122 G127 V128 L129F110-L125 HydrophobicContact CE1-CB 3.83Å; F110-L125 HydrophobicContact CE1-CD1 3.78Å; F110-L125 HydrophobicContact CE1-CG 4.5Å; F110-L125 HydrophobicContact CE2-CB 4.2Å; F110-L125 HydrophobicContact CZ-CB 3.47Å; F110-L125 VanDerWaalsContact CZ-CB 3.47Å; F110-L125 HydrophobicContact CZ-CD1 4.16Å; F110-L125 HydrophobicContact CZ-CG 4.49Å; W121-L125 HydrophobicContact CE3-CD1 3.57Å; W121-L125 HydrophobicContact CE3-CG 4.4Å; W121-L125 HydrophobicContact CZ3-CD1 3.53Å; W121-L125 WeakPolarHBondContact O-CG 3.34Å; W121-L125 PolarHBondContact O-N 3.38Å; W121-L125 VanDerWaalsContact O-N 3.12Å; K122-L125 PolarHBondContact O-N 3.3Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-G127 PolarHBondContact O-N 2.99Å; L125-V128 PolarHBondContact O-N 3.24Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 VanDerWaalsContact O-CG 3.31Å; L125-L129 WeakPolarHBondContact O-CG 3.3Å; L125-L129 PolarHBondContact O-N 2.9Å
126T89.2Confident87.9Confident0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-60.9-41.2172.9-550000111.5Y102 C105 F110 K122 M124 S130Y102-T126 HydrophobicContact CD1-CG2 4.33Å; Y102-T126 HydrophobicContact CD2-CG2 3.59Å; Y102-T126 HydrophobicContact CE1-CG2 4.48Å; Y102-T126 HydrophobicContact CE2-CG2 3.76Å; Y102-T126 HydrophobicContact CG-CG2 3.88Å; Y102-T126 WeakPolarHBondContact O-CG2 3.32Å; C105-T126 HydrophobicContact CB-CG2 3.45Å; C105-T126 VanDerWaalsContact CB-CG2 3.45Å; F110-T126 WeakPolarHBondContact CD2-OG1 3.43Å; F110-T126 VanDerWaalsContact CE2-OG1 3.31Å; F110-T126 WeakPolarHBondContact CE2-OG1 3.26Å; K122-T126 WeakPolarHBondContact O-CB 3.42Å; K122-T126 PolarHBondContact O-N 2.88Å; K122-T126 PolarHBondContact O-OG1 2.91Å; M124-T126 PolarHBondContact O-N 2.9Å; T126-S130 WeakPolarHBondContact O-CB 3.4Å; T126-S130 PolarHBondContact O-N 3.29Å; T126-S130 PolarHBondContact O-OG 3.24Å
127G87.9Confident88.6Confident9 Ų946 Ų469%0.09324%0.242CC..Hα-helixtrans-62.6-44.3176.300000112.8A123 M124 L125 S130 G131A123-G127 PolarHBondContact O-N 3.05Å; M124-G127 PolarHBondContact O-N 3.29Å; M124-G127 VanDerWaalsContact O-N 3.16Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-G127 PolarHBondContact O-N 2.99Å; G127-S130 PolarHBondContact O-OG 3.38Å; G127-G131 PolarHBondContact O-N 3.09Å
128V89.3Confident89.2Confident30 Ų3042.4 Ų42.418%0.18222%0.22CC..Hα-helixtrans-66.1-47.8176.9170.60000111.2M124 L125 G131 A132 A194 N197 M198M124-V128 WeakPolarHBondContact O-CG2 3.23Å; M124-V128 PolarHBondContact O-N 3.12Å; L125-V128 PolarHBondContact O-N 3.24Å; V128-G131 PolarHBondContact O-N 3.14Å; V128-A132 VanDerWaalsContact O-CB 3.3Å; V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.9Å; V128-A194 HydrophobicContact CG1-CB 3.81Å; V128-N197 HydrophobicContact CG2-CB 4.18Å; V128-M198 HydrophobicContact CG2-CG 4.18Å
129L90.6Very high89.7Confident77 Ų7740.2 Ų40.240%0.40321%0.211SC..Hα-helixtrans-65.2-49.4-179.4-73.5169.1000111.9F110 L125 G131 A132 L133F110-L129 HydrophobicContact CE2-CD1 3.86Å; F110-L129 HydrophobicContact CZ-CD1 3.81Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 VanDerWaalsContact O-CG 3.31Å; L125-L129 WeakPolarHBondContact O-CG 3.3Å; L125-L129 PolarHBondContact O-N 2.9Å; L129-G131 VanDerWaalsContact C-N 3.32Å; L129-G131 PolarHBondContact O-N 2.95Å; L129-A132 PolarHBondContact O-N 2.67Å; L129-L133 WeakPolarHBondContact O-CB 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 3.03Å
130S91.4Very high90Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-61.5-41.3176.761.20000111.9T126 G127 A134T126-S130 WeakPolarHBondContact O-CB 3.4Å; T126-S130 PolarHBondContact O-N 3.29Å; T126-S130 PolarHBondContact O-OG 3.24Å; G127-S130 PolarHBondContact O-OG 3.38Å; S130-A134 WeakPolarHBondContact O-CB 3.11Å; S130-A134 PolarHBondContact O-N 2.95Å
131G90.8Very high90.4Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-62.6-44.7175.800000112.6G127 V128 L129 Q135G127-G131 PolarHBondContact O-N 3.09Å; V128-G131 PolarHBondContact O-N 3.14Å; L129-G131 VanDerWaalsContact C-N 3.32Å; L129-G131 PolarHBondContact O-N 2.95Å; G131-Q135 WeakPolarHBondContact O-CB 3.44Å; G131-Q135 PolarHBondContact O-N 3.18Å
132A92.2Very high90.9Very high24 Ų2428.1 Ų28.120%0.19816%0.156CC..Hα-helixtrans-67.6-44.517900000112.2V128 L129 Q135 F136 C190V128-A132 VanDerWaalsContact O-CB 3.3Å; V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.9Å; L129-A132 PolarHBondContact O-N 2.67Å; A132-Q135 PolarHBondContact O-N 2.98Å; A132-F136 PolarHBondContact O-N 3.36Å; A132-C190 HydrophobicContact CB-CB 4.36Å; A132-C190 PolarHBondContact O-SG 2.81Å
133L92.5Very high91.1Very high87 Ų8726.9 Ų26.946%0.45515%0.15SC..Hα-helixtrans-69.5-42.1178.8-68.6173.2000111.9I101 L129 Q135 F136 V137I101-L133 HydrophobicContact CD1-CB 3.75Å; I101-L133 HydrophobicContact CG2-CB 4.35Å; I101-L133 HydrophobicContact CG2-CD1 3.86Å; L129-L133 WeakPolarHBondContact O-CB 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 3.03Å; L133-Q135 VanDerWaalsContact C-N 3.26Å; L133-Q135 PolarHBondContact O-N 2.87Å; L133-F136 WeakPolarHBondContact O-CB 3.28Å; L133-F136 PolarHBondContact O-N 2.95Å; L133-F136 VanDerWaalsContact O-N 3.14Å; L133-V137 WeakPolarHBondContact O-CG2 3.24Å; L133-V137 PolarHBondContact O-N 3.14Å
134A93.2Very high91.4Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-62-37.3173.300000111.6Y94 F97 R98 S130 F136 V137 A138Y94-A134 HydrophobicContact CD2-CB 3.85Å; Y94-A134 HydrophobicContact CE2-CB 3.82Å; F97-A134 HydrophobicContact CB-CB 4.19Å; R98-A134 HydrophobicContact CB-CB 3.75Å; S130-A134 WeakPolarHBondContact O-CB 3.11Å; S130-A134 PolarHBondContact O-N 2.95Å; A134-F136 VanDerWaalsContact C-N 3.34Å; A134-V137 PolarHBondContact O-N 3.46Å; A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.26Å; A134-A138 PolarHBondContact O-N 2.99Å
135Q93.9Very high91.8Very high8 Ų823.3 Ų23.34%0.03713%0.129CC..Hα-helixtrans-68.2-33175.5-176.856.258.900112.6Y94 G131 A132 L133 S139 D142 G189 A193Y94-Q135 HydrophobicContact CE2-CB 4.15Å; G131-Q135 WeakPolarHBondContact O-CB 3.44Å; G131-Q135 PolarHBondContact O-N 3.18Å; A132-Q135 PolarHBondContact O-N 2.98Å; L133-Q135 VanDerWaalsContact C-N 3.26Å; L133-Q135 PolarHBondContact O-N 2.87Å; Q135-S139 PolarHBondContact O-N 3.47Å; Q135-D142 PolarHBondContact NE2-OD2 2.93Å; Q135-G189 VanDerWaalsContact CG-C 3.44Å; Q135-G189 WeakPolarHBondContact CG-O 3.47Å; Q135-A193 HydrophobicContact CB-CB 4.18Å; Q135-A193 HydrophobicContact CG-CB 4.3Å
136F94.2Very high92Very high74 Ų7420 Ų2033%0.32511%0.111SC..Hα-helixtrans-63.5-47.1171.5176.6-97.5000111A132 L133 A134 A138 S139 W183 W186A132-F136 PolarHBondContact O-N 3.36Å; L133-F136 WeakPolarHBondContact O-CB 3.28Å; L133-F136 PolarHBondContact O-N 2.95Å; L133-F136 VanDerWaalsContact O-N 3.14Å; A134-F136 VanDerWaalsContact C-N 3.34Å; F136-A138 VanDerWaalsContact C-N 3.33Å; F136-A138 PolarHBondContact O-N 3.33Å; F136-S139 WeakPolarHBondContact O-CB 3.4Å; F136-S139 PolarHBondContact O-N 2.95Å; F136-W183 AromaticContact CD1-NE1 3.82Å; F136-W183 AromaticContact CD2-CD1 3.71Å; F136-W183 AromaticContact CD2-NE1 3.95Å; F136-W183 AromaticContact CE1-NE1 3.54Å; F136-W183 AromaticContact CE2-CD1 3.36Å; F136-W183 HydrophobicContact CE2-CG 4.18Å; F136-W183 AromaticContact CE2-NE1 3.7Å; F136-W183 AromaticContact CZ-CD1 3.58Å; F136-W183 HydrophobicContact CZ-CG 4.26Å; F136-W183 AromaticContact CZ-NE1 3.48Å; F136-W183 PolarHBondContact O-NE1 3.29Å; F136-W186 HydrophobicContact CD2-CB 4.45Å; F136-W186 AromaticContact CD2-CD2 3.69Å; F136-W186 HydrophobicContact CD2-CD2 3.69Å; F136-W186 AromaticContact CD2-CE3 3.55Å; F136-W186 HydrophobicContact CD2-CE3 3.55Å; F136-W186 HydrophobicContact CD2-CG 4.12Å; F136-W186 HydrophobicContact CD2-CH2 4.48Å; F136-W186 AromaticContact CD2-CZ3 3.96Å; F136-W186 HydrophobicContact CD2-CZ3 3.96Å; F136-W186 AromaticContact CE2-CD2 3.89Å; F136-W186 HydrophobicContact CE2-CD2 3.89Å; F136-W186 HydrophobicContact CE2-CE3 4.18Å; F136-W186 HydrophobicContact CE2-CG 4.18Å; F136-W186 HydrophobicContact CE2-CZ2 4.44Å
137V93.5Very high92Very high45 Ų4520 Ų2027%0.27311%0.111SC..Hα-helixtrans-66.1-35.5177.6179.10000111.9I93 F97 L133 A134 S139 P140I93-V137 HydrophobicContact CG2-CG1 3.89Å; F97-V137 HydrophobicContact CD1-CB 4.4Å; F97-V137 HydrophobicContact CD1-CG1 4.07Å; F97-V137 HydrophobicContact CD1-CG2 4.09Å; F97-V137 HydrophobicContact CD2-CG1 3.74Å; F97-V137 HydrophobicContact CE1-CG1 4.02Å; F97-V137 HydrophobicContact CE1-CG2 4.32Å; F97-V137 HydrophobicContact CE2-CG1 3.68Å; F97-V137 HydrophobicContact CG-CB 4.31Å; F97-V137 HydrophobicContact CG-CG1 3.92Å; F97-V137 HydrophobicContact CG-CG2 4.46Å; F97-V137 HydrophobicContact CZ-CG1 3.83Å; L133-V137 WeakPolarHBondContact O-CG2 3.24Å; L133-V137 PolarHBondContact O-N 3.14Å; A134-V137 PolarHBondContact O-N 3.46Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 3.37Å; V137-P140 VanDerWaalsContact O-CD 3.25Å; V137-P140 WeakPolarHBondContact O-CD 3.15Å
138A93.4Very high92.1Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-78.9-9.3176.800000113.9R90 I93 Y94 A134 F136 P140 T141 D142R90-A138 HydrophobicContact CG-CB 4.23Å; I93-A138 HydrophobicContact CG2-CB 4.47Å; Y94-A138 HydrophobicContact CD2-CB 4.24Å; A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.26Å; A134-A138 PolarHBondContact O-N 2.99Å; F136-A138 VanDerWaalsContact C-N 3.33Å; F136-A138 PolarHBondContact O-N 3.33Å; A138-P140 VanDerWaalsContact C-CD 3.45Å; A138-T141 PolarHBondContact O-N 2.89Å; A138-T141 PolarHBondContact O-OG1 3.31Å; A138-D142 PolarHBondContact O-N 3.3Å; A138-D142 VanDerWaalsContact O-N 3.17Å
139S92.9Very high92.1Very high1 Ų118.6 Ų18.61%0.00710%0.101CC..Hα-helixtrans-54.6-40.3-176.6-170.50000114.3Q135 F136 V137 T141 D142 L143 W186Q135-S139 PolarHBondContact O-N 3.47Å; F136-S139 WeakPolarHBondContact O-CB 3.4Å; F136-S139 PolarHBondContact O-N 2.95Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 3.37Å; S139-T141 VanDerWaalsContact C-N 3.31Å; S139-T141 PolarHBondContact O-N 3.44Å; S139-D142 PolarHBondContact O-N 3.27Å; S139-L143 PolarHBondContact O-N 3.27Å; S139-W186 WeakPolarHBondContact OG-CA 3.29Å; S139-W186 VanDerWaalsContact OG-CB 3.3Å; S139-W186 WeakPolarHBondContact OG-CB 3.39Å
140P92.5Very high92Very high18 Ų1815 Ų1512%0.1178%0.082CC..Hα-helixtrans-58.3-39.5175.1-28.338.5000113.6V137 A138 L143 I144 L182 W183V137-P140 VanDerWaalsContact O-CD 3.25Å; V137-P140 WeakPolarHBondContact O-CD 3.15Å; A138-P140 VanDerWaalsContact C-CD 3.45Å; P140-L143 PolarHBondContact O-N 2.8Å; P140-I144 WeakPolarHBondContact O-CG1 3.23Å; P140-I144 PolarHBondContact O-N 3.11Å; P140-L182 HydrophobicContact CB-CB 3.95Å; P140-L182 HydrophobicContact CB-CD2 4.41Å; P140-L182 HydrophobicContact CG-CB 3.96Å; P140-W183 HydrophobicContact CG-CD2 4.29Å; P140-W183 HydrophobicContact CG-CH2 4.24Å; P140-W183 HydrophobicContact CG-CZ2 3.96Å; P140-W183 HydrophobicContact CG-CZ3 4.49Å
141T92.3Very high91.7Very high9 Ų915.2 Ų15.26%0.0558%0.083CC..Hα-helixtrans-70.3-36.8177.552.20000112.4L89 I93 A138 S139 I144 K145L89-T141 HydrophobicContact CD2-CG2 3.86Å; L89-T141 HydrophobicContact CG-CG2 4.01Å; I93-T141 HydrophobicContact CD1-CG2 3.65Å; A138-T141 PolarHBondContact O-N 2.89Å; A138-T141 PolarHBondContact O-OG1 3.31Å; S139-T141 VanDerWaalsContact C-N 3.31Å; S139-T141 PolarHBondContact O-N 3.44Å; T141-I144 PolarHBondContact O-N 3.36Å; T141-K145 WeakPolarHBondContact O-CB 3.18Å; T141-K145 PolarHBondContact O-N 3.46Å
142D92.6Very high91.1Very high9 Ų915.3 Ų15.35%0.0488%0.084CC..Hα-helixtrans-65.6-40.2174.4-80.6-25.8000112.2R90 Q135 A138 S139 K145 V146 K246 M250R90-D142 WeakPolarHBondContact CD-OD1 3.48Å; Q135-D142 PolarHBondContact NE2-OD2 2.93Å; A138-D142 PolarHBondContact O-N 3.3Å; A138-D142 VanDerWaalsContact O-N 3.17Å; S139-D142 PolarHBondContact O-N 3.27Å; D142-K145 WeakPolarHBondContact O-CB 3.47Å; D142-K145 PolarHBondContact O-N 2.84Å; D142-V146 WeakPolarHBondContact O-CG2 3.22Å; D142-V146 PolarHBondContact O-N 2.98Å; D142-K246 VanDerWaalsContact CG-NZ 3.33Å; D142-K246 IonicContact OD1-NZ 3.69Å; D142-K246 IonicContact OD2-NZ 3.49Å; D142-K246 PolarHBondContact OD2-NZ 3.17Å; D142-M250 HydrophobicContact CB-CE 3.88Å; D142-M250 HydrophobicContact CB-SD 4.07Å
143L92Very high90.4Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-57.8-52175.218065.4000110.6S139 P140 K145 V146 L147 V173 M250 S253S139-L143 PolarHBondContact O-N 3.27Å; P140-L143 PolarHBondContact O-N 2.8Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.49Å; L143-V146 PolarHBondContact O-N 3.31Å; L143-L147 HydrophobicContact CD1-CD1 4.48Å; L143-L147 HydrophobicContact CG-CD1 4.22Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.25Å; L143-L147 PolarHBondContact O-N 3.4Å; L143-V173 HydrophobicContact CD2-CG1 3.86Å; L143-V173 HydrophobicContact CD2-CG2 4.05Å; L143-M250 HydrophobicContact CD1-CB 3.65Å; L143-M250 HydrophobicContact CD1-CG 3.87Å; L143-M250 VanDerWaalsContact CD1-O 3.29Å; L143-M250 WeakPolarHBondContact CD1-O 3.44Å; L143-S253 WeakPolarHBondContact CD1-OG 3.09Å
144I92.3Very high89.7Confident9 Ų913.1 Ų13.15%0.0467%0.065CC..Hα-helixtrans-63.7-38.2-179.9-65.7164.8000111.4P86 P140 T141 L147 L148 V166 A169 F170P86-I144 HydrophobicContact CB-CB 4.48Å; P86-I144 HydrophobicContact CB-CG2 4.18Å; P86-I144 HydrophobicContact CG-CG2 4.38Å; P140-I144 WeakPolarHBondContact O-CG1 3.23Å; P140-I144 PolarHBondContact O-N 3.11Å; T141-I144 PolarHBondContact O-N 3.36Å; I144-L147 PolarHBondContact O-N 3.04Å; I144-L148 HydrophobicContact CG2-CD1 3.88Å; I144-L148 HydrophobicContact CG2-CG 4.48Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 3.48Å; I144-V166 HydrophobicContact CG2-CB 4.46Å; I144-V166 HydrophobicContact CG2-CG1 4.04Å; I144-A169 HydrophobicContact CG1-CB 4.37Å; I144-A169 HydrophobicContact CG2-CB 3.81Å; I144-F170 HydrophobicContact CD1-CB 3.93Å; I144-F170 HydrophobicContact CD1-CD2 3.93Å; I144-F170 HydrophobicContact CD1-CG 4.45Å
145K92.7Very high88.8Confident12 Ų1220.7 Ų20.75%0.05210%0.098CC..Hα-helixtrans-57.9-53.5173.9178.4-178.4176.2176.30110.9E35 D42 P86 A87 T141 D142 L143 L147 L148 Q149E35-K145 IonicContact OE1-NZ 3.26Å; E35-K145 PolarHBondContact OE1-NZ 2.68Å; D42-K145 IonicContact OD1-NZ 2.76Å; D42-K145 PolarHBondContact OD1-NZ 3.46Å; D42-K145 WeakPolarHBondContact OD2-CE 3.16Å; D42-K145 IonicContact OD2-NZ 3.42Å; D42-K145 PolarHBondContact OD2-NZ 3.17Å; P86-K145 HydrophobicContact CB-CB 4.13Å; P86-K145 HydrophobicContact CG-CB 3.91Å; P86-K145 HydrophobicContact CG-CG 4.48Å; A87-K145 HydrophobicContact CB-CD 3.8Å; A87-K145 HydrophobicContact CB-CG 4.48Å; T141-K145 WeakPolarHBondContact O-CB 3.18Å; T141-K145 PolarHBondContact O-N 3.46Å; D142-K145 WeakPolarHBondContact O-CB 3.47Å; D142-K145 PolarHBondContact O-N 2.84Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.49Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 2.9Å; K145-L148 PolarHBondContact O-N 3.15Å; K145-Q149 HydrophobicContact CG-CG 4.41Å; K145-Q149 VanDerWaalsContact O-CB 3.32Å; K145-Q149 WeakPolarHBondContact O-CB 3.15Å; K145-Q149 VanDerWaalsContact O-CG 3.31Å; K145-Q149 WeakPolarHBondContact O-CG 3.21Å; K145-Q149 PolarHBondContact O-N 2.99Å
146V92.2Very high87.7Confident7 Ų722.7 Ų22.74%0.04211%0.108CC..Hα-helixtrans-60.5-41.8179.8169.40000111.1D142 L143 Q149 A150 T247 M250 N251D142-V146 WeakPolarHBondContact O-CG2 3.22Å; D142-V146 PolarHBondContact O-N 2.98Å; L143-V146 PolarHBondContact O-N 3.31Å; V146-Q149 CarbonylContact O-C 3.48Å; V146-Q149 PolarHBondContact O-N 3.39Å; V146-A150 VanDerWaalsContact O-CB 3.31Å; V146-A150 WeakPolarHBondContact O-CB 3.49Å; V146-A150 PolarHBondContact O-N 2.89Å; V146-T247 HydrophobicContact CG1-CG2 4.05Å; V146-T247 WeakPolarHBondContact CG1-O 3.47Å; V146-M250 HydrophobicContact CB-CB 4.09Å; V146-M250 HydrophobicContact CG1-CB 3.92Å; V146-M250 HydrophobicContact CG2-CB 4.32Å; V146-M250 HydrophobicContact CG2-SD 4.09Å; V146-N251 HydrophobicContact CG1-CB 4.18Å
147L90.1Very high86.5Confident0 Ų022 Ų220%011%0.106CC..Hα-helixtrans-61.5-49.4178.3-70.8176.3000111.8L143 I144 K145 Q149 A150 E151 V163 V173 M254L143-L147 HydrophobicContact CD1-CD1 4.48Å; L143-L147 HydrophobicContact CG-CD1 4.22Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.25Å; L143-L147 PolarHBondContact O-N 3.4Å; I144-L147 PolarHBondContact O-N 3.04Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 2.9Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 3.49Å; L147-A150 WeakPolarHBondContact O-CB 3.19Å; L147-A150 PolarHBondContact O-N 2.96Å; L147-A150 VanDerWaalsContact O-N 3.07Å; L147-E151 WeakPolarHBondContact O-CG 3.39Å; L147-E151 PolarHBondContact O-N 3.34Å; L147-V163 HydrophobicContact CB-CG2 4.37Å; L147-V173 HydrophobicContact CD1-CG2 3.82Å; L147-M254 HydrophobicContact CD1-CE 3.91Å; L147-M254 HydrophobicContact CD1-CG 3.66Å; L147-M254 HydrophobicContact CD2-CB 3.92Å; L147-M254 HydrophobicContact CD2-CG 3.51Å; L147-M254 HydrophobicContact CG-CG 4.21Å
148L90.3Very high85.4Confident10 Ų1023.1 Ų23.15%0.05213%0.127CC..Hα-helixtrans-63.8-39.9177-72.8167.4000111.8Q82 P86 I144 K145 A150 E151 V163 V166Q82-L148 VanDerWaalsContact CD-O 3.23Å; Q82-L148 WeakPolarHBondContact CG-O 3.32Å; Q82-L148 PolarHBondContact OE1-O 3.07Å; P86-L148 HydrophobicContact CG-CD1 4.02Å; I144-L148 HydrophobicContact CG2-CD1 3.88Å; I144-L148 HydrophobicContact CG2-CG 4.48Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 3.48Å; K145-L148 PolarHBondContact O-N 3.15Å; L148-A150 PolarHBondContact O-N 3.2Å; L148-E151 PolarHBondContact O-N 2.93Å; L148-V163 HydrophobicContact CD2-CB 4.49Å; L148-V163 HydrophobicContact CD2-CG2 3.89Å; L148-V163 HydrophobicContact CG-CG2 4.38Å; L148-V166 HydrophobicContact CD1-CG2 3.79Å
149Q89.1Confident84.5Confident0 Ų026.5 Ų26.50%014%0.144CC..Hα-helixtrans-70.5-11.1174.1-74-178-28.100113.7Y39 D42 T46 R47 Q82 K145 V146 L147Y39-Q149 WeakPolarHBondContact OH-CG 3.34Å; Y39-Q149 PolarHBondContact OH-NE2 2.94Å; D42-Q149 PolarHBondContact OD2-NE2 3.09Å; T46-Q149 PolarHBondContact OG1-OE1 3.5Å; T46-Q149 VanDerWaalsContact OG1-OE1 3.07Å; R47-Q149 VanDerWaalsContact CZ-O 3.3Å; R47-Q149 PolarHBondContact NH1-O 2.6Å; Q82-Q149 WeakPolarHBondContact O-CG 3.42Å; K145-Q149 HydrophobicContact CG-CG 4.41Å; K145-Q149 VanDerWaalsContact O-CB 3.32Å; K145-Q149 WeakPolarHBondContact O-CB 3.15Å; K145-Q149 VanDerWaalsContact O-CG 3.31Å; K145-Q149 WeakPolarHBondContact O-CG 3.21Å; K145-Q149 PolarHBondContact O-N 2.99Å; V146-Q149 CarbonylContact O-C 3.48Å; V146-Q149 PolarHBondContact O-N 3.39Å; L147-Q149 VanDerWaalsContact C-N 3.34Å; L147-Q149 PolarHBondContact O-N 3.49Å
150A87.6Confident83.6Confident2 Ų230.9 Ų30.92%0.01717%0.173CC..Hα-helixtrans-91.3-18.8173.100000112.1R47 L50 V146 L147 L148 R153 R154 N251R47-A150 VanDerWaalsContact NH1-C 3.26Å; R47-A150 PolarHBondContact NH1-O 2.98Å; L50-A150 HydrophobicContact CD1-CB 3.69Å; V146-A150 VanDerWaalsContact O-CB 3.31Å; V146-A150 WeakPolarHBondContact O-CB 3.49Å; V146-A150 PolarHBondContact O-N 2.89Å; L147-A150 WeakPolarHBondContact O-CB 3.19Å; L147-A150 PolarHBondContact O-N 2.96Å; L147-A150 VanDerWaalsContact O-N 3.07Å; L148-A150 PolarHBondContact O-N 3.2Å; A150-R153 WeakPolarHBondContact O-CB 3.44Å; A150-R153 PolarHBondContact O-N 3.07Å; A150-R154 PolarHBondContact O-N 3.13Å; A150-N251 VanDerWaalsContact CB-OD1 3.23Å; A150-N251 WeakPolarHBondContact CB-OD1 3.2Å
151E85.3Confident82.9Confident5 Ų534.6 Ų34.62%0.02320%0.197CC..Hα-helixtrans-69.9-40.2-171.1-71.2-50132.100114.6L147 L148 R153 R154 K155 P161 R162 V163L147-E151 WeakPolarHBondContact O-CG 3.39Å; L147-E151 PolarHBondContact O-N 3.34Å; L148-E151 PolarHBondContact O-N 2.93Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.47Å; E151-R154 WeakPolarHBondContact O-CA 3.29Å; E151-R154 WeakPolarHBondContact O-CB 3.15Å; E151-R154 PolarHBondContact O-N 3.09Å; E151-R154 IonicContact OE2-NE 3.81Å; E151-K155 PolarHBondContact O-N 3.29Å; E151-P161 WeakPolarHBondContact OE2-CA 3.41Å; E151-R162 WeakPolarHBondContact OE1-CB 3.11Å; E151-R162 IonicContact OE1-CZ 3.45Å; E151-R162 IonicContact OE1-NE 2.86Å; E151-R162 PolarHBondContact OE1-NE 3.02Å; E151-R162 IonicContact OE1-NH2 3.15Å; E151-R162 PolarHBondContact OE1-NH2 2.89Å; E151-R162 VanDerWaalsContact OE1-NH2 3.15Å; E151-R162 PolarHBondContact OE2-N 3.35Å; E151-V163 HydrophobicContact CG-CG2 3.53Å
152G78.1Confident82.3Confident2 Ų235.5 Ų35.52%0.02120%0.199CC..Hα-helixtrans-62.9-29.317400000114.3R47 E75 R154 K155 L156R47-G152 VanDerWaalsContact CZ-CA 3.5Å; E75-G152 VanDerWaalsContact OE1-C 3.27Å; G152-R154 VanDerWaalsContact C-N 3.32Å; G152-R154 PolarHBondContact O-N 3.36Å; G152-K155 WeakPolarHBondContact O-CB 3.4Å; G152-K155 PolarHBondContact O-N 2.9Å; G152-K155 VanDerWaalsContact O-N 3.17Å; G152-L156 VanDerWaalsContact O-CG 3.3Å; G152-L156 WeakPolarHBondContact O-CG 3.45Å; G152-L156 PolarHBondContact O-N 3.48Å
153R77.3Confident81.9Confident38 Ų3835.2 Ų35.214%0.14320%0.198CC..Hα-helixtrans-62.1-43.4170.3177.4-173.9168.3-163.13109.8L50 E53 A150 E151 K155 L156 E157L50-R153 PolarHBondContact O-NH1 3.43Å; E53-R153 PolarHBondContact O-NH2 3.42Å; A150-R153 WeakPolarHBondContact O-CB 3.44Å; A150-R153 PolarHBondContact O-N 3.07Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.47Å; R153-K155 VanDerWaalsContact C-N 3.34Å; R153-L156 CarbonylContact O-C 3.51Å; R153-L156 WeakPolarHBondContact O-CA 3.2Å; R153-L156 WeakPolarHBondContact O-CB 3.24Å; R153-L156 PolarHBondContact O-N 2.96Å; R153-L156 VanDerWaalsContact O-N 3.16Å; R153-E157 IonicContact CZ-OE1 3.49Å; R153-E157 IonicContact NE-OE1 3.02Å; R153-E157 PolarHBondContact NE-OE1 3.5Å; R153-E157 IonicContact NH2-OE1 2.89Å; R153-E157 PolarHBondContact NH2-OE1 2.93Å; R153-E157 VanDerWaalsContact NH2-OE1 3.1Å; R153-E157 WeakPolarHBondContact O-CG 3.11Å; R153-E157 PolarHBondContact O-N 3.2Å
154R77.7Confident81.4Confident27 Ų2740 Ų4010%0.10223%0.231CC..Hα-helixtrans-63.8-40.8175.1-72-176.457.688.90.6112.2A150 E151 G152 L156 E157 G158 L159 P160 R162A150-R154 PolarHBondContact O-N 3.13Å; E151-R154 WeakPolarHBondContact O-CA 3.29Å; E151-R154 WeakPolarHBondContact O-CB 3.15Å; E151-R154 PolarHBondContact O-N 3.09Å; E151-R154 IonicContact OE2-NE 3.81Å; G152-R154 VanDerWaalsContact C-N 3.32Å; G152-R154 PolarHBondContact O-N 3.36Å; R154-L156 PolarHBondContact O-N 3.39Å; R154-E157 CarbonylContact O-C 3.44Å; R154-E157 WeakPolarHBondContact O-CA 3.42Å; R154-E157 WeakPolarHBondContact O-CB 3.12Å; R154-E157 PolarHBondContact O-N 3.12Å; R154-G158 PolarHBondContact O-N 3.31Å; R154-G158 VanDerWaalsContact O-N 3.17Å; R154-L159 HydrophobicContact CB-CB 4.22Å; R154-L159 PolarHBondContact O-N 2.85Å; R154-P160 PolarHBondContact NE-O 3.35Å; R154-P160 PolarHBondContact NH2-O 2.98Å; R154-P160 VanDerWaalsContact NH2-O 3.17Å; R154-R162 VanDerWaalsContact CD-NE 3.33Å
155K75.5Confident81.1Confident159 Ų15942.1 Ų42.169%0.69125%0.247SC*.Hα-helixtrans-57.2-38.9172.9-166.7-178.5178.6-173.30111E151 G152 R153 G158E151-K155 PolarHBondContact O-N 3.29Å; G152-K155 WeakPolarHBondContact O-CB 3.4Å; G152-K155 PolarHBondContact O-N 2.9Å; G152-K155 VanDerWaalsContact O-N 3.17Å; R153-K155 VanDerWaalsContact C-N 3.34Å; K155-G158 PolarHBondContact O-N 3.07Å
156L70.3Confident80.9Confident50 Ų5043.3 Ų43.326%0.26226%0.255SS..Hα-helixtrans-73.9-22.1173.3-63.3174.9000114.2R59 S74 E75 G152 R153 R154R59-L156 PolarHBondContact NH1-O 3.33Å; R59-L156 PolarHBondContact NH2-O 3.16Å; S74-L156 WeakPolarHBondContact OG-CD2 3.32Å; E75-L156 HydrophobicContact CG-CD1 4.35Å; E75-L156 HydrophobicContact CG-CD2 4.14Å; E75-L156 HydrophobicContact CG-CG 4.28Å; E75-L156 VanDerWaalsContact OE1-CD1 3.27Å; E75-L156 WeakPolarHBondContact OE1-CD1 3.4Å; G152-L156 VanDerWaalsContact O-CG 3.3Å; G152-L156 WeakPolarHBondContact O-CG 3.45Å; G152-L156 PolarHBondContact O-N 3.48Å; R153-L156 CarbonylContact O-C 3.51Å; R153-L156 WeakPolarHBondContact O-CA 3.2Å; R153-L156 WeakPolarHBondContact O-CB 3.24Å; R153-L156 PolarHBondContact O-N 2.96Å; R153-L156 VanDerWaalsContact O-N 3.16Å; R154-L156 PolarHBondContact O-N 3.39Å
157E69.6Low80.8Confident59 Ų5953.4 Ų53.428%0.27629%0.293SS..THydrogen-bonded Turntrans-81.41.1169.8-70.2168.3-178.600111.7R153 R154 L159R153-E157 IonicContact CZ-OE1 3.49Å; R153-E157 IonicContact NE-OE1 3.02Å; R153-E157 PolarHBondContact NE-OE1 3.5Å; R153-E157 IonicContact NH2-OE1 2.89Å; R153-E157 PolarHBondContact NH2-OE1 2.93Å; R153-E157 VanDerWaalsContact NH2-OE1 3.1Å; R153-E157 WeakPolarHBondContact O-CG 3.11Å; R153-E157 PolarHBondContact O-N 3.2Å; R154-E157 CarbonylContact O-C 3.44Å; R154-E157 WeakPolarHBondContact O-CA 3.42Å; R154-E157 WeakPolarHBondContact O-CB 3.12Å; R154-E157 PolarHBondContact O-N 3.12Å; E157-L159 HydrophobicContact CB-CD1 3.97Å; E157-L159 HydrophobicContact CB-CG 3.97Å; E157-L159 PolarHBondContact O-N 3.46Å
158G68.8Low80.7Confident69 Ų6957 Ų5771%0.71131%0.309SS*.THydrogen-bonded Turntrans69.310.9-175.300000113R154 K155R154-G158 PolarHBondContact O-N 3.31Å; R154-G158 VanDerWaalsContact O-N 3.17Å; K155-G158 PolarHBondContact O-N 3.07Å
159L74.4Confident80.6Confident70 Ų7056.6 Ų56.637%0.36631%0.307SS..PPolyproline II helixtrans-85.5143.1-179.2-64174.7000110R154 E157R154-L159 HydrophobicContact CB-CB 4.22Å; R154-L159 PolarHBondContact O-N 2.85Å; E157-L159 HydrophobicContact CB-CD1 3.97Å; E157-L159 HydrophobicContact CB-CG 3.97Å; E157-L159 PolarHBondContact O-N 3.46Å
160P75.2Confident80.6Confident93 Ų9360.6 Ų60.660%0.60433%0.325SS*.PPolyproline II helixtrans-62.9146.2176.326.2-33.8000110.7R154 R162R154-P160 PolarHBondContact NE-O 3.35Å; R154-P160 PolarHBondContact NH2-O 2.98Å; R154-P160 VanDerWaalsContact NH2-O 3.17Å; P160-R162 PolarHBondContact O-N 3.37Å
161P78.1Confident80.7Confident96 Ų9668 Ų6862%0.62336%0.356SS*.PPolyproline II helixtrans-66.3131.117927.6-33.5000110E151E151-P161 WeakPolarHBondContact OE2-CA 3.41Å
162R79.7Confident80.7Confident28 Ų2868.6 Ų68.611%0.10636%0.36CS..SBendtrans-78.2-32.4176.6-58.7174.5-63.2179.7-1.4111.2E151 R154 P160 H168 N251 M254 V258E151-R162 WeakPolarHBondContact OE1-CB 3.11Å; E151-R162 IonicContact OE1-CZ 3.45Å; E151-R162 IonicContact OE1-NE 2.86Å; E151-R162 PolarHBondContact OE1-NE 3.02Å; E151-R162 IonicContact OE1-NH2 3.15Å; E151-R162 PolarHBondContact OE1-NH2 2.89Å; E151-R162 VanDerWaalsContact OE1-NH2 3.15Å; E151-R162 PolarHBondContact OE2-N 3.35Å; R154-R162 VanDerWaalsContact CD-NE 3.33Å; P160-R162 PolarHBondContact O-N 3.37Å; R162-H168 PolarHBondContact O-CE1 2.89Å; R162-N251 PolarHBondContact NH1-O 3.41Å; R162-N251 PolarHBondContact NH2-OD1 3Å; R162-M254 VanDerWaalsContact NH1-CB 3.28Å; R162-V258 HydrophobicContact CG-CG2 3.7Å
163V83.4Confident81.2Confident4 Ų468.5 Ų68.52%0.02436%0.359CS..  trans-139.3133-175.9-63.70000111L147 L148 E151 A169L147-V163 HydrophobicContact CB-CG2 4.37Å; L148-V163 HydrophobicContact CD2-CB 4.49Å; L148-V163 HydrophobicContact CD2-CG2 3.89Å; L148-V163 HydrophobicContact CG-CG2 4.38Å; E151-V163 HydrophobicContact CG-CG2 3.53Å; V163-A169 HydrophobicContact CB-CB 3.93Å; V163-A169 HydrophobicContact CG1-CB 3.76Å; V163-A169 HydrophobicContact CG2-CB 4.31Å
164S81.3Confident81.6Confident99 Ų9972 Ų7269%0.69237%0.373SS*.SBendtrans-102.3-30.4178.855.90000112.9
165S86.2Confident82Confident54 Ų5473.8 Ų73.838%0.37839%0.389SS..SBendtrans-143.5163.1-174.466.30000111.6R167 H168 A169S165-R167 VanDerWaalsContact C-N 3.3Å; S165-R167 PolarHBondContact O-N 2.91Å; S165-H168 PolarHBondContact O-N 3.29Å; S165-H168 VanDerWaalsContact OG-CB 3.3Å; S165-H168 WeakPolarHBondContact OG-CB 3.33Å; S165-H168 PolarHBondContact OG-N 2.87Å; S165-A169 WeakPolarHBondContact O-CB 3.33Å; S165-A169 PolarHBondContact O-N 3.13Å
166V88.8Confident82.2Confident37 Ų3768.1 Ų68.122%0.22437%0.365CS..Hα-helixtrans-55.9-45.1175.9-179.60000111.5T85 P86 I144 L148 A169 F170T85-V166 HydrophobicContact CG2-CG2 4.16Å; P86-V166 HydrophobicContact CG-CG2 4.42Å; I144-V166 HydrophobicContact CG2-CB 4.46Å; I144-V166 HydrophobicContact CG2-CG1 4.04Å; L148-V166 HydrophobicContact CD1-CG2 3.79Å; V166-A169 PolarHBondContact O-N 2.98Å; V166-F170 WeakPolarHBondContact O-CB 3.43Å; V166-F170 PolarHBondContact O-N 3.19Å
167R89.9Confident82.5Confident220 Ų22067.7 Ų67.783%0.8337%0.373SS*.Hα-helixtrans-64.8-42.1178.8-67.1-177.5-179.5170.60111.6S165 K171S165-R167 VanDerWaalsContact C-N 3.3Å; S165-R167 PolarHBondContact O-N 2.91Å; R167-K171 WeakPolarHBondContact O-CB 3.1Å; R167-K171 PolarHBondContact O-N 2.72Å
168H88.6Confident83.2Confident76 Ų7666.2 Ų66.235%0.35237%0.373SS..Hα-helixtrans-64.7-46.6176.2-173.1-104.6000111.1R162 S165 F170 K171 V172R162-H168 PolarHBondContact O-CE1 2.89Å; S165-H168 PolarHBondContact O-N 3.29Å; S165-H168 VanDerWaalsContact OG-CB 3.3Å; S165-H168 WeakPolarHBondContact OG-CB 3.33Å; S165-H168 PolarHBondContact OG-N 2.87Å; H168-F170 PolarHBondContact O-N 3.22Å; H168-K171 PolarHBondContact O-N 3.07Å; H168-V172 VanDerWaalsContact O-CG2 3.26Å; H168-V172 WeakPolarHBondContact O-CG2 3.27Å; H168-V172 PolarHBondContact O-N 3Å
169A88.4Confident84.1Confident0 Ų067.1 Ų67.10%036%0.361CS..Hα-helixtrans-57-48.5176.500000111.7I144 V163 S165 V166 K171 V172 V173I144-A169 HydrophobicContact CG1-CB 4.37Å; I144-A169 HydrophobicContact CG2-CB 3.81Å; V163-A169 HydrophobicContact CB-CB 3.93Å; V163-A169 HydrophobicContact CG1-CB 3.76Å; V163-A169 HydrophobicContact CG2-CB 4.31Å; S165-A169 WeakPolarHBondContact O-CB 3.33Å; S165-A169 PolarHBondContact O-N 3.13Å; V166-A169 PolarHBondContact O-N 2.98Å; A169-K171 PolarHBondContact O-N 2.86Å; A169-V172 PolarHBondContact O-N 3.15Å; A169-V173 WeakPolarHBondContact O-CG2 3.43Å; A169-V173 PolarHBondContact O-N 3.3Å
170F89Confident84.7Confident85 Ų8570.4 Ų70.437%0.37338%0.378SS..Hα-helixtrans-57.9-49.2176-175.8-88.9000112I144 V166 H168 V172 V173 W174 L182I144-F170 HydrophobicContact CD1-CB 3.93Å; I144-F170 HydrophobicContact CD1-CD2 3.93Å; I144-F170 HydrophobicContact CD1-CG 4.45Å; V166-F170 WeakPolarHBondContact O-CB 3.43Å; V166-F170 PolarHBondContact O-N 3.19Å; H168-F170 PolarHBondContact O-N 3.22Å; F170-V172 VanDerWaalsContact C-N 3.33Å; F170-V172 PolarHBondContact O-N 2.98Å; F170-V173 PolarHBondContact O-N 3.44Å; F170-W174 HydrophobicContact CE1-CD2 4.47Å; F170-W174 AromaticContact CE1-CE3 3.91Å; F170-W174 HydrophobicContact CE1-CE3 3.91Å; F170-W174 HydrophobicContact CE1-CZ3 4.48Å; F170-W174 AromaticContact CZ-CE3 3.68Å; F170-W174 HydrophobicContact CZ-CE3 3.68Å; F170-W174 AromaticContact CZ-CZ3 3.98Å; F170-W174 HydrophobicContact CZ-CZ3 3.98Å; F170-W174 VanDerWaalsContact O-CB 3.27Å; F170-W174 WeakPolarHBondContact O-CB 3.25Å; F170-W174 PolarHBondContact O-N 3.16Å; F170-L182 HydrophobicContact CD2-CD1 4.33Å; F170-L182 HydrophobicContact CD2-CD2 3.86Å; F170-L182 HydrophobicContact CE2-CD1 3.51Å; F170-L182 HydrophobicContact CE2-CD2 3.89Å; F170-L182 HydrophobicContact CE2-CG 4.37Å; F170-L182 HydrophobicContact CZ-CD1 3.93Å
171K88.8Confident85.2Confident156 Ų15666.1 Ų66.168%0.67835%0.351SS*.Hα-helixtrans-61-41.6179.8-173.7177.5-179.61800112R167 H168 A169 S175R167-K171 WeakPolarHBondContact O-CB 3.1Å; R167-K171 PolarHBondContact O-N 2.72Å; H168-K171 PolarHBondContact O-N 3.07Å; A169-K171 PolarHBondContact O-N 2.86Å; K171-S175 WeakPolarHBondContact O-CB 3.17Å; K171-S175 PolarHBondContact O-N 2.94Å; K171-S175 PolarHBondContact O-OG 3.35Å; K171-S175 VanDerWaalsContact O-OG 3.14Å
172V86.1Confident85.7Confident18 Ų1861.9 Ų61.911%0.10932%0.323CS..Hα-helixtrans-65.9-50.1178.71790000110.2H168 A169 F170 W174 S175 E176 M254H168-V172 VanDerWaalsContact O-CG2 3.26Å; H168-V172 WeakPolarHBondContact O-CG2 3.27Å; H168-V172 PolarHBondContact O-N 3Å; A169-V172 PolarHBondContact O-N 3.15Å; F170-V172 VanDerWaalsContact C-N 3.33Å; F170-V172 PolarHBondContact O-N 2.98Å; V172-W174 VanDerWaalsContact C-N 3.28Å; V172-W174 PolarHBondContact O-N 3.42Å; V172-S175 PolarHBondContact O-N 3.04Å; V172-S175 VanDerWaalsContact O-N 3.1Å; V172-S175 PolarHBondContact O-OG 3.38Å; V172-E176 PolarHBondContact O-N 2.91Å; V172-E176 VanDerWaalsContact O-N 3.09Å; V172-M254 HydrophobicContact CB-CE 3.82Å; V172-M254 HydrophobicContact CB-SD 4.28Å; V172-M254 HydrophobicContact CG1-CE 3.51Å; V172-M254 HydrophobicContact CG1-SD 3.41Å; V172-M254 WeakPolarHBondContact CG1-SD 3.4Å
173V87.4Confident86.3Confident0 Ų063.3 Ų63.30%033%0.328CS..Hα-helixtrans-57.4-46.3178.5178.30000110.1L143 L147 A169 F170 S175 E176 A181 L182 M254L143-V173 HydrophobicContact CD2-CG1 3.86Å; L143-V173 HydrophobicContact CD2-CG2 4.05Å; L147-V173 HydrophobicContact CD1-CG2 3.82Å; A169-V173 WeakPolarHBondContact O-CG2 3.43Å; A169-V173 PolarHBondContact O-N 3.3Å; F170-V173 PolarHBondContact O-N 3.44Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 3.02Å; V173-E176 WeakPolarHBondContact O-CB 3.36Å; V173-E176 PolarHBondContact O-N 3.43Å; V173-E176 VanDerWaalsContact O-N 3.16Å; V173-A181 HydrophobicContact CG1-CB 3.7Å; V173-A181 WeakPolarHBondContact O-CB 3.44Å; V173-L182 HydrophobicContact CB-CD2 4.01Å; V173-L182 HydrophobicContact CG1-CD2 3.72Å; V173-L182 HydrophobicContact CG1-CG 4.17Å; V173-M254 HydrophobicContact CB-CE 3.83Å; V173-M254 HydrophobicContact CG2-CE 3.09Å; V173-M254 VanDerWaalsContact N-CE 3.27Å
174W86.5Confident86.3Confident113 Ų11367.2 Ų67.243%0.42834%0.343SS..Hα-helixtrans-60.2-41.8179.3-171.8-78.7000112F170 V172 E176 G178 I179 L182F170-W174 HydrophobicContact CE1-CD2 4.47Å; F170-W174 AromaticContact CE1-CE3 3.91Å; F170-W174 HydrophobicContact CE1-CE3 3.91Å; F170-W174 HydrophobicContact CE1-CZ3 4.48Å; F170-W174 AromaticContact CZ-CE3 3.68Å; F170-W174 HydrophobicContact CZ-CE3 3.68Å; F170-W174 AromaticContact CZ-CZ3 3.98Å; F170-W174 HydrophobicContact CZ-CZ3 3.98Å; F170-W174 VanDerWaalsContact O-CB 3.27Å; F170-W174 WeakPolarHBondContact O-CB 3.25Å; F170-W174 PolarHBondContact O-N 3.16Å; V172-W174 VanDerWaalsContact C-N 3.28Å; V172-W174 PolarHBondContact O-N 3.42Å; W174-E176 VanDerWaalsContact C-N 3.27Å; W174-E176 PolarHBondContact O-N 2.92Å; W174-G178 WeakPolarHBondContact O-CA 3.27Å; W174-G178 PolarHBondContact O-N 2.88Å; W174-I179 HydrophobicContact CE3-CB 4.31Å; W174-I179 HydrophobicContact CH2-CB 3.66Å; W174-I179 HydrophobicContact CH2-CD1 3.63Å; W174-I179 HydrophobicContact CH2-CG1 3.92Å; W174-I179 HydrophobicContact CZ2-CB 4.27Å; W174-I179 HydrophobicContact CZ3-CB 3.66Å; W174-I179 HydrophobicContact CZ3-CD1 3.7Å; W174-I179 HydrophobicContact CZ3-CG1 3.67Å; W174-L182 HydrophobicContact CE3-CD1 3.88Å; W174-L182 HydrophobicContact CZ3-CD1 4.07Å
175S85.3Confident86.4Confident64 Ų6463 Ų6345%0.44832%0.315SS..Hα-helixtrans-73.4-16.1179.668.30000114K171 V172 V173 R257K171-S175 WeakPolarHBondContact O-CB 3.17Å; K171-S175 PolarHBondContact O-N 2.94Å; K171-S175 PolarHBondContact O-OG 3.35Å; K171-S175 VanDerWaalsContact O-OG 3.14Å; V172-S175 PolarHBondContact O-N 3.04Å; V172-S175 VanDerWaalsContact O-N 3.1Å; V172-S175 PolarHBondContact O-OG 3.38Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 3.02Å; S175-R257 PolarHBondContact O-NH2 3.32Å; S175-R257 PolarHBondContact OG-NH1 2.99Å; S175-R257 PolarHBondContact OG-NH2 3.09Å
176E80.9Confident86.6Confident39 Ų3965.2 Ų65.218%0.18232%0.315CS..Hα-helixtrans-80.8-33.7178.9-80.6-176.7175.900114.1V172 V173 W174 R184 R257V172-E176 PolarHBondContact O-N 2.91Å; V172-E176 VanDerWaalsContact O-N 3.09Å; V173-E176 WeakPolarHBondContact O-CB 3.36Å; V173-E176 PolarHBondContact O-N 3.43Å; V173-E176 VanDerWaalsContact O-N 3.16Å; W174-E176 VanDerWaalsContact C-N 3.27Å; W174-E176 PolarHBondContact O-N 2.92Å; E176-R184 IonicContact OE2-NH1 3.28Å; E176-R184 PolarHBondContact OE2-NH1 2.69Å; E176-R257 VanDerWaalsContact CG-CD 3.44Å; E176-R257 HydrophobicContact CG-CG 3.72Å; E176-R257 VanDerWaalsContact OE1-CB 3.26Å; E176-R257 WeakPolarHBondContact OE1-CB 3.26Å; E176-R257 WeakPolarHBondContact OE1-CD 3.24Å; E176-R257 WeakPolarHBondContact OE1-CG 3.34Å; E176-R257 IonicContact OE1-NE 3.96Å
177G76.2Confident86.7Confident41 Ų4167 Ų6742%0.42332%0.322SS..Hα-helixtrans-160.422.5-173.900000113.9
178G85.3Confident86.8Confident28 Ų2856.6 Ų56.629%0.28928%0.282SS..SBendtrans66.9-156.5-177.300000112.9W174 L180 A181W174-G178 WeakPolarHBondContact O-CA 3.27Å; W174-G178 PolarHBondContact O-N 2.88Å; G178-L180 VanDerWaalsContact C-N 3.32Å; G178-L180 PolarHBondContact O-N 3.27Å; G178-A181 WeakPolarHBondContact O-CB 3.36Å; G178-A181 PolarHBondContact O-N 3.49Å
179I86.7Confident86.9Confident88 Ų8853 Ų5345%0.45127%0.265SS..G310 helixtrans-62.5-36.2-177-171.2150.6000112.7W174 A181 L182 W183W174-I179 HydrophobicContact CE3-CB 4.31Å; W174-I179 HydrophobicContact CH2-CB 3.66Å; W174-I179 HydrophobicContact CH2-CD1 3.63Å; W174-I179 HydrophobicContact CH2-CG1 3.92Å; W174-I179 HydrophobicContact CZ2-CB 4.27Å; W174-I179 HydrophobicContact CZ3-CB 3.66Å; W174-I179 HydrophobicContact CZ3-CD1 3.7Å; W174-I179 HydrophobicContact CZ3-CG1 3.67Å; I179-A181 PolarHBondContact O-N 2.93Å; I179-L182 WeakPolarHBondContact O-CB 3.4Å; I179-L182 PolarHBondContact O-N 3Å; I179-L182 VanDerWaalsContact O-N 3.15Å; I179-W183 HydrophobicContact CD1-CZ3 4.4Å; I179-W183 HydrophobicContact CG1-CH2 4.24Å; I179-W183 HydrophobicContact CG1-CZ3 3.58Å; I179-W183 VanDerWaalsContact O-CE3 3.23Å; I179-W183 VanDerWaalsContact O-CZ3 3.28Å; I179-W183 WeakPolarHBondContact O-CZ3 3.23Å
180L86.9Confident87.1Confident140 Ų14053.5 Ų53.573%0.73327%0.269SS*.G310 helixtrans-65.7-24.6-178.5-63.8178000113.1G178 L182 W183G178-L180 VanDerWaalsContact C-N 3.32Å; G178-L180 PolarHBondContact O-N 3.27Å; L180-L182 PolarHBondContact O-N 3.13Å; L180-W183 PolarHBondContact O-N 3.39Å; L180-W183 VanDerWaalsContact O-N 3.16Å
181A86.5Confident87.2Confident3 Ų352.9 Ų52.93%0.02527%0.267CS..G310 helixtrans-63.4-26.2176.600000112.7V173 G178 I179 W183 R184V173-A181 HydrophobicContact CG1-CB 3.7Å; V173-A181 WeakPolarHBondContact O-CB 3.44Å; G178-A181 WeakPolarHBondContact O-CB 3.36Å; G178-A181 PolarHBondContact O-N 3.49Å; I179-A181 PolarHBondContact O-N 2.93Å; A181-W183 PolarHBondContact O-N 2.91Å; A181-R184 WeakPolarHBondContact O-CB 3.47Å; A181-R184 WeakPolarHBondContact O-CG 3.37Å; A181-R184 PolarHBondContact O-N 3.15Å; A181-R184 VanDerWaalsContact O-N 3.16Å
182L88.9Confident87.3Confident6 Ų647.7 Ų47.73%0.03124%0.244CC..G310 helixtrans-66.7-21.7177-66.3170.2000113.4P140 F170 V173 W174 I179 L180P140-L182 HydrophobicContact CB-CB 3.95Å; P140-L182 HydrophobicContact CB-CD2 4.41Å; P140-L182 HydrophobicContact CG-CB 3.96Å; F170-L182 HydrophobicContact CD2-CD1 4.33Å; F170-L182 HydrophobicContact CD2-CD2 3.86Å; F170-L182 HydrophobicContact CE2-CD1 3.51Å; F170-L182 HydrophobicContact CE2-CD2 3.89Å; F170-L182 HydrophobicContact CE2-CG 4.37Å; F170-L182 HydrophobicContact CZ-CD1 3.93Å; V173-L182 HydrophobicContact CB-CD2 4.01Å; V173-L182 HydrophobicContact CG1-CD2 3.72Å; V173-L182 HydrophobicContact CG1-CG 4.17Å; W174-L182 HydrophobicContact CE3-CD1 3.88Å; W174-L182 HydrophobicContact CZ3-CD1 4.07Å; I179-L182 WeakPolarHBondContact O-CB 3.4Å; I179-L182 PolarHBondContact O-N 3Å; I179-L182 VanDerWaalsContact O-N 3.15Å; L180-L182 PolarHBondContact O-N 3.13Å
183W90.4Very high87.5Confident58 Ų5847.3 Ų47.322%0.2224%0.242CC..G310 helixtrans-94.59.2176.4-77.3-91000112.8F136 P140 I179 L180 A181 G185 W186F136-W183 AromaticContact CD1-NE1 3.82Å; F136-W183 AromaticContact CD2-CD1 3.71Å; F136-W183 AromaticContact CD2-NE1 3.95Å; F136-W183 AromaticContact CE1-NE1 3.54Å; F136-W183 AromaticContact CE2-CD1 3.36Å; F136-W183 HydrophobicContact CE2-CG 4.18Å; F136-W183 AromaticContact CE2-NE1 3.7Å; F136-W183 AromaticContact CZ-CD1 3.58Å; F136-W183 HydrophobicContact CZ-CG 4.26Å; F136-W183 AromaticContact CZ-NE1 3.48Å; F136-W183 PolarHBondContact O-NE1 3.29Å; P140-W183 HydrophobicContact CG-CD2 4.29Å; P140-W183 HydrophobicContact CG-CH2 4.24Å; P140-W183 HydrophobicContact CG-CZ2 3.96Å; P140-W183 HydrophobicContact CG-CZ3 4.49Å; I179-W183 HydrophobicContact CD1-CZ3 4.4Å; I179-W183 HydrophobicContact CG1-CH2 4.24Å; I179-W183 HydrophobicContact CG1-CZ3 3.58Å; I179-W183 VanDerWaalsContact O-CE3 3.23Å; I179-W183 VanDerWaalsContact O-CZ3 3.28Å; I179-W183 WeakPolarHBondContact O-CZ3 3.23Å; L180-W183 PolarHBondContact O-N 3.39Å; L180-W183 VanDerWaalsContact O-N 3.16Å; A181-W183 PolarHBondContact O-N 2.91Å; W183-G185 PolarHBondContact O-N 2.9Å; W183-G185 VanDerWaalsContact O-N 3.13Å; W183-W186 HydrophobicContact CB-CB 4.29Å; W183-W186 HydrophobicContact CB-CG 4.34Å; W183-W186 VanDerWaalsContact O-CB 3.28Å; W183-W186 WeakPolarHBondContact O-CB 3.35Å; W183-W186 PolarHBondContact O-N 3.04Å
184R83.9Confident87.5Confident87 Ų8748.2 Ų48.233%0.32825%0.249SC..THydrogen-bonded Turntrans-58.5124.3174.9-76.7176.4177.6159.42.4111E176 A181 S253E176-R184 IonicContact OE2-NH1 3.28Å; E176-R184 PolarHBondContact OE2-NH1 2.69Å; A181-R184 WeakPolarHBondContact O-CB 3.47Å; A181-R184 WeakPolarHBondContact O-CG 3.37Å; A181-R184 PolarHBondContact O-N 3.15Å; A181-R184 VanDerWaalsContact O-N 3.16Å; R184-S253 PolarHBondContact NH1-O 3.13Å; R184-S253 VanDerWaalsContact NH1-O 3.11Å
185G84.6Confident87.7Confident10 Ų1045.3 Ų45.310%0.10324%0.242CC..THydrogen-bonded Turntrans76.718.4-177.600000115.4W183 M187 P188 M249W183-G185 PolarHBondContact O-N 2.9Å; W183-G185 VanDerWaalsContact O-N 3.13Å; G185-M187 PolarHBondContact O-N 3.33Å; G185-P188 WeakPolarHBondContact O-CD 3.2Å; G185-M249 VanDerWaalsContact CA-CG 3.4Å
186W89.1Confident87.8Confident101 Ų10143.8 Ų43.838%0.38323%0.23SC..Hα-helixtrans-62.2-39.3177.674-98.6000113.2F136 S139 W183 G189 C190F136-W186 HydrophobicContact CD2-CB 4.45Å; F136-W186 AromaticContact CD2-CD2 3.69Å; F136-W186 HydrophobicContact CD2-CD2 3.69Å; F136-W186 AromaticContact CD2-CE3 3.55Å; F136-W186 HydrophobicContact CD2-CE3 3.55Å; F136-W186 HydrophobicContact CD2-CG 4.12Å; F136-W186 HydrophobicContact CD2-CH2 4.48Å; F136-W186 AromaticContact CD2-CZ3 3.96Å; F136-W186 HydrophobicContact CD2-CZ3 3.96Å; F136-W186 AromaticContact CE2-CD2 3.89Å; F136-W186 HydrophobicContact CE2-CD2 3.89Å; F136-W186 HydrophobicContact CE2-CE3 4.18Å; F136-W186 HydrophobicContact CE2-CG 4.18Å; F136-W186 HydrophobicContact CE2-CZ2 4.44Å; S139-W186 WeakPolarHBondContact OG-CA 3.29Å; S139-W186 VanDerWaalsContact OG-CB 3.3Å; S139-W186 WeakPolarHBondContact OG-CB 3.39Å; W183-W186 HydrophobicContact CB-CB 4.29Å; W183-W186 HydrophobicContact CB-CG 4.34Å; W183-W186 VanDerWaalsContact O-CB 3.28Å; W183-W186 WeakPolarHBondContact O-CB 3.35Å; W183-W186 PolarHBondContact O-N 3.04Å; W186-G189 WeakPolarHBondContact O-CA 3.31Å; W186-G189 PolarHBondContact O-N 3.21Å; W186-C190 HydrophobicContact CE3-CB 4.23Å; W186-C190 VanDerWaalsContact CE3-SG 3.5Å; W186-C190 HydrophobicContact CZ3-CB 4.11Å; W186-C190 PolarHBondContact O-N 2.88Å
187M91.4Very high88.1Confident75 Ų7543.7 Ų43.737%0.36923%0.231SC..Hα-helixtrans-59.5-48.3-170.8-177.566.9-178.400113.6G185 G189 C190 Q191G185-M187 PolarHBondContact O-N 3.33Å; M187-G189 PolarHBondContact O-N 2.95Å; M187-C190 PolarHBondContact O-N 2.92Å; M187-C190 VanDerWaalsContact O-N 3.15Å; M187-Q191 HydrophobicContact CE-CG 3.89Å; M187-Q191 PolarHBondContact O-N 2.76Å
188P91.5Very high88.6Confident0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-52.1-38.1171.2-31.836.3000114.5G185 R192 M242 V245 K246 T272G185-P188 WeakPolarHBondContact O-CD 3.2Å; P188-R192 VanDerWaalsContact O-CB 3.24Å; P188-R192 WeakPolarHBondContact O-CB 3.26Å; P188-R192 PolarHBondContact O-N 2.89Å; P188-M242 HydrophobicContact CB-CE 3.84Å; P188-M242 HydrophobicContact CG-CE 4.45Å; P188-V245 HydrophobicContact CG-CG1 3.96Å; P188-K246 HydrophobicContact CB-CB 3.69Å; P188-K246 HydrophobicContact CB-CG 4.43Å; P188-T272 HydrophobicContact CG-CG2 3.59Å
189G90.7Very high88.6Confident0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-63.1-47.9177.600000112Q135 W186 M187 R192 A193Q135-G189 VanDerWaalsContact CG-C 3.44Å; Q135-G189 WeakPolarHBondContact CG-O 3.47Å; W186-G189 WeakPolarHBondContact O-CA 3.31Å; W186-G189 PolarHBondContact O-N 3.21Å; M187-G189 PolarHBondContact O-N 2.95Å; G189-R192 WeakPolarHBondContact O-CB 3.31Å; G189-R192 PolarHBondContact O-N 3.49Å; G189-A193 PolarHBondContact O-N 3.29Å
190C92Very high88.6Confident11 Ų1144 Ų447%0.07422%0.217CC..Hα-helixtrans-65.5-42.1178.5-65.80000112.2A132 W186 M187 R192 A193 A194A132-C190 HydrophobicContact CB-CB 4.36Å; A132-C190 PolarHBondContact O-SG 2.81Å; W186-C190 HydrophobicContact CE3-CB 4.23Å; W186-C190 VanDerWaalsContact CE3-SG 3.5Å; W186-C190 HydrophobicContact CZ3-CB 4.11Å; W186-C190 PolarHBondContact O-N 2.88Å; M187-C190 PolarHBondContact O-N 2.92Å; M187-C190 VanDerWaalsContact O-N 3.15Å; C190-R192 VanDerWaalsContact C-N 3.34Å; C190-R192 PolarHBondContact O-N 2.91Å; C190-A193 WeakPolarHBondContact O-CB 3.5Å; C190-A193 PolarHBondContact O-N 3.01Å; C190-A194 PolarHBondContact O-N 3.04Å
191Q91.1Very high88.3Confident73 Ų7340 Ų4034%0.34120%0.195SC..Hα-helixtrans-60-44.9174.2-75.7176.6-39.600111.5M187 A193 A194 L195 M242M187-Q191 HydrophobicContact CE-CG 3.89Å; M187-Q191 PolarHBondContact O-N 2.76Å; Q191-A193 VanDerWaalsContact C-N 3.34Å; Q191-A193 PolarHBondContact O-N 3.48Å; Q191-A194 PolarHBondContact O-N 3.27Å; Q191-L195 WeakPolarHBondContact O-CB 3.22Å; Q191-L195 VanDerWaalsContact O-CG 3.32Å; Q191-L195 WeakPolarHBondContact O-CG 3.49Å; Q191-L195 PolarHBondContact O-N 3.23Å; Q191-M242 HydrophobicContact CB-CE 3.81Å; Q191-M242 HydrophobicContact CG-CE 4.47Å
192R91.1Very high88.4Confident47 Ų4742.6 Ų42.618%0.17722%0.216CC..Hα-helixtrans-58.2-45.4174-174.9-129.1-173.5-162.6-3.3111.6P188 G189 C190 A194 L195 V196 M242 D243P188-R192 VanDerWaalsContact O-CB 3.24Å; P188-R192 WeakPolarHBondContact O-CB 3.26Å; P188-R192 PolarHBondContact O-N 2.89Å; G189-R192 WeakPolarHBondContact O-CB 3.31Å; G189-R192 PolarHBondContact O-N 3.49Å; C190-R192 VanDerWaalsContact C-N 3.34Å; C190-R192 PolarHBondContact O-N 2.91Å; R192-A194 VanDerWaalsContact C-N 3.34Å; R192-A194 PolarHBondContact O-N 3.02Å; R192-L195 PolarHBondContact O-N 2.92Å; R192-V196 HydrophobicContact CG-CG2 4.39Å; R192-V196 WeakPolarHBondContact O-CG2 3.31Å; R192-V196 PolarHBondContact O-N 3.3Å; R192-M242 HydrophobicContact CB-CB 3.85Å; R192-M242 HydrophobicContact CG-CB 4.34Å; R192-D243 WeakPolarHBondContact CD-OD1 3.31Å; R192-D243 IonicContact CZ-OD1 3.48Å; R192-D243 IonicContact CZ-OD2 2.93Å; R192-D243 VanDerWaalsContact NE-CG 3.32Å; R192-D243 IonicContact NE-OD1 3.61Å; R192-D243 PolarHBondContact NE-OD1 2.91Å; R192-D243 IonicContact NE-OD2 2.72Å; R192-D243 PolarHBondContact NE-OD2 3.27Å; R192-D243 IonicContact NH2-OD2 2.82Å; R192-D243 PolarHBondContact NH2-OD2 3.33Å
193A90.3Very high88.3Confident9 Ų943.7 Ų43.77%0.07422%0.223CC..Hα-helixtrans-60.5-42.6178.100000112.1Q135 G189 C190 Q191 N197Q135-A193 HydrophobicContact CB-CB 4.18Å; Q135-A193 HydrophobicContact CG-CB 4.3Å; G189-A193 PolarHBondContact O-N 3.29Å; C190-A193 WeakPolarHBondContact O-CB 3.5Å; C190-A193 PolarHBondContact O-N 3.01Å; Q191-A193 VanDerWaalsContact C-N 3.34Å; Q191-A193 PolarHBondContact O-N 3.48Å; A193-N197 PolarHBondContact O-N 3.24Å; A193-N197 PolarHBondContact O-ND2 3.41Å
194A89.1Confident88.1Confident19 Ų1944.3 Ų44.316%0.15723%0.226CC..Hα-helixtrans-64.5-47.617500000111.7V128 C190 Q191 R192 V196 N197 M198V128-A194 HydrophobicContact CG1-CB 3.81Å; C190-A194 PolarHBondContact O-N 3.04Å; Q191-A194 PolarHBondContact O-N 3.27Å; R192-A194 VanDerWaalsContact C-N 3.34Å; R192-A194 PolarHBondContact O-N 3.02Å; A194-V196 PolarHBondContact O-N 2.72Å; A194-N197 PolarHBondContact O-N 2.98Å; A194-M198 HydrophobicContact CB-CE 4.3Å; A194-M198 WeakPolarHBondContact O-CB 3.35Å; A194-M198 WeakPolarHBondContact O-CG 3.29Å; A194-M198 PolarHBondContact O-N 2.79Å
195L88.8Confident88.1Confident53 Ų5344 Ų4428%0.27723%0.231SC..Hα-helixtrans-62.6-42-178.1-75.3170.7000112.9Q191 R192 M198 S199 M242Q191-L195 WeakPolarHBondContact O-CB 3.22Å; Q191-L195 VanDerWaalsContact O-CG 3.32Å; Q191-L195 WeakPolarHBondContact O-CG 3.49Å; Q191-L195 PolarHBondContact O-N 3.23Å; R192-L195 PolarHBondContact O-N 2.92Å; L195-M198 HydrophobicContact CD2-CE 4.05Å; L195-M198 PolarHBondContact O-N 2.63Å; L195-S199 WeakPolarHBondContact O-CB 2.86Å; L195-S199 PolarHBondContact O-N 2.78Å; L195-S199 PolarHBondContact O-OG 3.3Å; L195-M242 HydrophobicContact CD1-CG 3.72Å
196V88.8Confident88.3Confident31 Ų3147.5 Ų47.519%0.18825%0.25CS..Hα-helixtrans-61.8-51.1177.6169.80000110.3R192 A194 M198 S199 D200 A235R192-V196 HydrophobicContact CG-CG2 4.39Å; R192-V196 WeakPolarHBondContact O-CG2 3.31Å; R192-V196 PolarHBondContact O-N 3.3Å; A194-V196 PolarHBondContact O-N 2.72Å; V196-M198 VanDerWaalsContact C-N 3.33Å; V196-M198 PolarHBondContact O-N 3.45Å; V196-S199 PolarHBondContact O-N 3.48Å; V196-D200 WeakPolarHBondContact CG1-OD2 3.43Å; V196-D200 WeakPolarHBondContact O-CB 3.08Å; V196-D200 PolarHBondContact O-N 2.92Å; V196-A235 HydrophobicContact CG1-CB 4.41Å
197N86.8Confident88.2Confident38 Ų3843.9 Ų43.920%0.20324%0.239CC..Hα-helixtrans-61.2-40.2179.7-73.8-67000112.4V128 A193 A194 M201V128-N197 HydrophobicContact CG2-CB 4.18Å; A193-N197 PolarHBondContact O-N 3.24Å; A193-N197 PolarHBondContact O-ND2 3.41Å; A194-N197 PolarHBondContact O-N 2.98Å; N197-M201 WeakPolarHBondContact O-CB 3.42Å; N197-M201 PolarHBondContact O-N 3.09Å
198M85.8Confident87.9Confident92 Ų9242.6 Ų42.645%0.45323%0.231SC..Hα-helixtrans-68.6-44.7176.9-71.3-172.6-63.300112.2V128 A194 L195 V196 A202V128-M198 HydrophobicContact CG2-CG 4.18Å; A194-M198 HydrophobicContact CB-CE 4.3Å; A194-M198 WeakPolarHBondContact O-CB 3.35Å; A194-M198 WeakPolarHBondContact O-CG 3.29Å; A194-M198 PolarHBondContact O-N 2.79Å; L195-M198 HydrophobicContact CD2-CE 4.05Å; L195-M198 PolarHBondContact O-N 2.63Å; V196-M198 VanDerWaalsContact C-N 3.33Å; V196-M198 PolarHBondContact O-N 3.45Å; M198-A202 VanDerWaalsContact O-CB 3.23Å; M198-A202 WeakPolarHBondContact O-CB 3.42Å; M198-A202 PolarHBondContact O-N 2.67Å
199S87.1Confident87.6Confident16 Ų1648 Ų4811%0.11226%0.257CS..Hα-helixtrans-68.3-44.2-177.2-55.30000111.4L195 V196 M201 T203 T238L195-S199 WeakPolarHBondContact O-CB 2.86Å; L195-S199 PolarHBondContact O-N 2.78Å; L195-S199 PolarHBondContact O-OG 3.3Å; V196-S199 PolarHBondContact O-N 3.48Å; S199-M201 VanDerWaalsContact C-N 3.31Å; S199-M201 PolarHBondContact O-N 3.42Å; S199-T203 WeakPolarHBondContact O-CB 3.47Å; S199-T203 PolarHBondContact O-N 3.23Å; S199-T203 PolarHBondContact O-OG1 3.12Å; S199-T238 PolarHBondContact OG-OG1 3.26Å
200D85.8Confident87.4Confident56 Ų5653.9 Ų53.930%0.29928%0.282SS..Hα-helixtrans-56.3-50.6178.8-84.9-27.7000110V196 Y204 S231 A235V196-D200 WeakPolarHBondContact CG1-OD2 3.43Å; V196-D200 WeakPolarHBondContact O-CB 3.08Å; V196-D200 PolarHBondContact O-N 2.92Å; D200-Y204 WeakPolarHBondContact O-CB 2.97Å; D200-Y204 PolarHBondContact O-N 3.35Å; D200-S231 WeakPolarHBondContact O-CB 3.4Å; D200-A235 WeakPolarHBondContact OD1-CB 3.46Å
201M81.1Confident87.1Confident56 Ų5653.9 Ų53.928%0.27628%0.282SS..Hα-helixtrans-73.3-47.4-175.6-178.7169.245.200113.6M124 N197 S199 T203 Y204 D205M124-M201 HydrophobicContact CB-CE 3.77Å; M124-M201 HydrophobicContact CB-SD 4.36Å; M124-M201 HydrophobicContact CE-CE 3.03Å; M124-M201 HydrophobicContact CE-CG 4.48Å; M124-M201 HydrophobicContact CE-SD 3.64Å; M124-M201 HydrophobicContact CG-CE 3.31Å; M124-M201 HydrophobicContact CG-SD 3.3Å; M124-M201 WeakPolarHBondContact CG-SD 3.47Å; M124-M201 HydrophobicContact SD-CE 3.7Å; M124-M201 HydrophobicContact SD-SD 3.61Å; M124-M201 VanDerWaalsContact SD-SD 3.61Å; N197-M201 WeakPolarHBondContact O-CB 3.42Å; N197-M201 PolarHBondContact O-N 3.09Å; S199-M201 VanDerWaalsContact C-N 3.31Å; S199-M201 PolarHBondContact O-N 3.42Å; M201-T203 VanDerWaalsContact C-N 3.26Å; M201-T203 PolarHBondContact O-N 3.21Å; M201-Y204 PolarHBondContact O-N 3.26Å; M201-D205 WeakPolarHBondContact O-CB 3.3Å; M201-D205 PolarHBondContact O-N 2.91Å
202A87.1Confident86.7Confident57 Ų5753.6 Ų53.647%0.47128%0.282SS..Hα-helixtrans-61-39.9179.500000111M198 T206M198-A202 VanDerWaalsContact O-CB 3.23Å; M198-A202 WeakPolarHBondContact O-CB 3.42Å; M198-A202 PolarHBondContact O-N 2.67Å; A202-T206 WeakPolarHBondContact O-CB 3.09Å; A202-T206 WeakPolarHBondContact O-CG2 3.29Å; A202-T206 PolarHBondContact O-N 3.45Å; A202-T206 VanDerWaalsContact O-N 3.13Å; A202-T206 PolarHBondContact O-OG1 3.28Å
203T87.7Confident86.4Confident28 Ų2859.6 Ų59.617%0.17231%0.309CS..Hα-helixtrans-73.6-41.4179-49.50000111.3S199 M201 D205 T206 V207 C230 A234S199-T203 WeakPolarHBondContact O-CB 3.47Å; S199-T203 PolarHBondContact O-N 3.23Å; S199-T203 PolarHBondContact O-OG1 3.12Å; M201-T203 VanDerWaalsContact C-N 3.26Å; M201-T203 PolarHBondContact O-N 3.21Å; T203-D205 PolarHBondContact O-N 3.37Å; T203-T206 WeakPolarHBondContact CA-OG1 3.23Å; T203-T206 PolarHBondContact O-OG1 3.01Å; T203-T206 VanDerWaalsContact O-OG1 3.1Å; T203-V207 HydrophobicContact CG2-CG2 3.87Å; T203-V207 VanDerWaalsContact O-CB 3.24Å; T203-V207 WeakPolarHBondContact O-CB 3.34Å; T203-V207 WeakPolarHBondContact O-CG2 3.49Å; T203-V207 PolarHBondContact O-N 3.38Å; T203-C230 HydrophobicContact CG2-CB 4.28Å; T203-A234 HydrophobicContact CG2-CB 3.82Å; T203-A234 VanDerWaalsContact OG1-CB 3.24Å; T203-A234 WeakPolarHBondContact OG1-CB 3.41Å
204Y85.5Confident86Confident72 Ų7264.8 Ų64.828%0.28233%0.332SS..Hα-helixtrans-61.4-46.4179.1-171.9-85.5000111.7D200 M201 K208 H224D200-Y204 WeakPolarHBondContact O-CB 2.97Å; D200-Y204 PolarHBondContact O-N 3.35Å; M201-Y204 PolarHBondContact O-N 3.26Å; Y204-K208 HydrophobicContact CE1-CD 4.19Å; Y204-K208 WeakPolarHBondContact O-CB 3.49Å; Y204-K208 PolarHBondContact O-N 3.07Å; Y204-H224 AromaticContact CZ-ND1 3.96Å; Y204-H224 PolarHBondContact OH-ND1 2.95Å
205D85Confident85.3Confident81 Ų8165.8 Ų65.843%0.43334%0.338SS..Hα-helixtrans-64.1-49.8180-169.964.1000111.5M201 T203 V207 K208 H209M201-D205 WeakPolarHBondContact O-CB 3.3Å; M201-D205 PolarHBondContact O-N 2.91Å; T203-D205 PolarHBondContact O-N 3.37Å; D205-V207 PolarHBondContact O-N 3.11Å; D205-K208 PolarHBondContact O-N 2.78Å; D205-H209 WeakPolarHBondContact O-CB 3.31Å; D205-H209 PolarHBondContact O-CD2 3.19Å; D205-H209 PolarHBondContact O-N 3.08Å; D205-H209 IonicContact OD1-CD2 3.39Å; D205-H209 PolarHBondContact OD1-CD2 2.67Å; D205-H209 IonicContact OD1-NE2 2.76Å; D205-H209 PolarHBondContact OD1-NE2 2.72Å; D205-H209 IonicContact OD2-CD2 3.63Å
206T89.3Confident84.6Confident83 Ų8371.8 Ų71.851%0.50937%0.37SS..Hα-helixtrans-63.3-43.517951.60000112.6A202 T203 F210A202-T206 WeakPolarHBondContact O-CB 3.09Å; A202-T206 WeakPolarHBondContact O-CG2 3.29Å; A202-T206 PolarHBondContact O-N 3.45Å; A202-T206 VanDerWaalsContact O-N 3.13Å; A202-T206 PolarHBondContact O-OG1 3.28Å; T203-T206 WeakPolarHBondContact CA-OG1 3.23Å; T203-T206 PolarHBondContact O-OG1 3.01Å; T203-T206 VanDerWaalsContact O-OG1 3.1Å; T206-F210 WeakPolarHBondContact O-CB 3.33Å; T206-F210 PolarHBondContact O-N 2.93Å
207V86Confident83.7Confident25 Ų2573.4 Ų73.415%0.15238%0.376CS..Hα-helixtrans-69.6-41.8179.1177.10000110.6T203 D205 H209 F210 V211 I226 C230T203-V207 HydrophobicContact CG2-CG2 3.87Å; T203-V207 VanDerWaalsContact O-CB 3.24Å; T203-V207 WeakPolarHBondContact O-CB 3.34Å; T203-V207 WeakPolarHBondContact O-CG2 3.49Å; T203-V207 PolarHBondContact O-N 3.38Å; D205-V207 PolarHBondContact O-N 3.11Å; V207-H209 PolarHBondContact O-N 3.05Å; V207-F210 PolarHBondContact O-N 2.8Å; V207-V211 HydrophobicContact CG1-CG2 4.03Å; V207-V211 WeakPolarHBondContact O-CB 3.24Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.39Å; V207-I226 HydrophobicContact CG1-CG2 4.48Å; V207-C230 HydrophobicContact CB-CB 4.46Å; V207-C230 HydrophobicContact CG1-CB 4.17Å; V207-C230 HydrophobicContact CG2-CB 3.81Å
208K84.7Confident83.2Confident47 Ų4775.8 Ų75.820%0.20439%0.394CS..Hα-helixtrans-60.2-48.8175.8-176.8175.1179.8171.90111Y204 D205 F210 V211 L212 D219 S227Y204-K208 HydrophobicContact CE1-CD 4.19Å; Y204-K208 WeakPolarHBondContact O-CB 3.49Å; Y204-K208 PolarHBondContact O-N 3.07Å; D205-K208 PolarHBondContact O-N 2.78Å; K208-F210 VanDerWaalsContact C-N 3.32Å; K208-F210 PolarHBondContact O-N 3.42Å; K208-V211 PolarHBondContact O-N 3.34Å; K208-L212 HydrophobicContact CD-CD1 4.47Å; K208-L212 HydrophobicContact CG-CD1 3.88Å; K208-L212 HydrophobicContact CG-CG 4.4Å; K208-L212 WeakPolarHBondContact O-CB 3.28Å; K208-L212 WeakPolarHBondContact O-CG 3.3Å; K208-L212 PolarHBondContact O-N 2.82Å; K208-D219 VanDerWaalsContact CE-OD1 3.24Å; K208-D219 WeakPolarHBondContact CE-OD1 3.24Å; K208-D219 WeakPolarHBondContact CE-OD2 3.36Å; K208-D219 IonicContact NZ-OD1 3.9Å; K208-D219 PolarHBondContact NZ-OD1 2.69Å; K208-D219 IonicContact NZ-OD2 3.24Å; K208-D219 PolarHBondContact NZ-OD2 3.48Å; K208-S227 WeakPolarHBondContact CA-OG 3.32Å; K208-S227 PolarHBondContact N-OG 3.41Å
209H86.1Confident82.9Confident115 Ų11575.4 Ų75.453%0.53239%0.394SS..Hα-helixtrans-63.1-38.7177.2-80.8-59000112.6D205 V207 K213D205-H209 WeakPolarHBondContact O-CB 3.31Å; D205-H209 PolarHBondContact O-CD2 3.19Å; D205-H209 PolarHBondContact O-N 3.08Å; D205-H209 IonicContact OD1-CD2 3.39Å; D205-H209 PolarHBondContact OD1-CD2 2.67Å; D205-H209 IonicContact OD1-NE2 2.76Å; D205-H209 PolarHBondContact OD1-NE2 2.72Å; D205-H209 IonicContact OD2-CD2 3.63Å; V207-H209 PolarHBondContact O-N 3.05Å; H209-K213 WeakPolarHBondContact O-CB 3.37Å; H209-K213 PolarHBondContact O-N 3.05Å; H209-K213 VanDerWaalsContact O-N 3.09Å
210F86.5Confident82.8Confident123 Ų12376.9 Ų76.954%0.53940%0.4SS..Hα-helixtrans-65.4-46.4177-176.5-92000111.8T206 V207 K208 K213 H214T206-F210 WeakPolarHBondContact O-CB 3.33Å; T206-F210 PolarHBondContact O-N 2.93Å; V207-F210 PolarHBondContact O-N 2.8Å; K208-F210 VanDerWaalsContact C-N 3.32Å; K208-F210 PolarHBondContact O-N 3.42Å; F210-K213 PolarHBondContact O-N 3.07Å; F210-H214 AromaticContact CD2-CE1 3.58Å; F210-H214 AromaticContact CD2-ND1 3.44Å; F210-H214 WeakPolarHBondContact CD2-ND1 3.28Å; F210-H214 HydrophobicContact CE1-CB 4.49Å; F210-H214 AromaticContact CE2-CE1 3.47Å; F210-H214 VanDerWaalsContact CE2-CE1 3.47Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.35Å; F210-H214 AromaticContact CE2-ND1 3.44Å; F210-H214 WeakPolarHBondContact CE2-ND1 3.49Å; F210-H214 AromaticContact CG-ND1 3.88Å; F210-H214 HydrophobicContact CZ-CB 4.49Å; F210-H214 AromaticContact CZ-ND1 3.88Å; F210-H214 WeakPolarHBondContact O-CB 3.21Å; F210-H214 PolarHBondContact O-N 3.4Å; F210-H214 PolarHBondContact O-ND1 3.4Å
211V84.3Confident82.7Confident10 Ų1083.4 Ų83.46%0.06142%0.422CS..Hα-helixtrans-63.7-49.5179.8171.20000110.6V207 K208 K213 H214 S215 M217 T223 I226V207-V211 HydrophobicContact CG1-CG2 4.03Å; V207-V211 WeakPolarHBondContact O-CB 3.24Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.39Å; K208-V211 PolarHBondContact O-N 3.34Å; V211-K213 PolarHBondContact O-N 3.39Å; V211-H214 PolarHBondContact O-N 2.95Å; V211-S215 WeakPolarHBondContact O-CA 3.32Å; V211-S215 WeakPolarHBondContact O-CB 3.5Å; V211-S215 PolarHBondContact O-N 2.92Å; V211-S215 PolarHBondContact O-OG 3.41Å; V211-M217 HydrophobicContact CG1-CE 3.43Å; V211-M217 VanDerWaalsContact CG1-CE 3.43Å; V211-T223 HydrophobicContact CB-CG2 4.32Å; V211-T223 HydrophobicContact CG1-CG2 3.76Å; V211-I226 HydrophobicContact CG2-CG2 4.42Å
212L84.2Confident82.9Confident67 Ų6783.3 Ų83.335%0.35143%0.425SS..Hα-helixtrans-65.3-27.2179.5-68.8175.1000113.4K208 D219 T223K208-L212 HydrophobicContact CD-CD1 4.47Å; K208-L212 HydrophobicContact CG-CD1 3.88Å; K208-L212 HydrophobicContact CG-CG 4.4Å; K208-L212 WeakPolarHBondContact O-CB 3.28Å; K208-L212 WeakPolarHBondContact O-CG 3.3Å; K208-L212 PolarHBondContact O-N 2.82Å; L212-D219 HydrophobicContact CD2-CB 4.14Å; L212-T223 HydrophobicContact CD2-CG2 4.23Å; L212-T223 HydrophobicContact CG-CG2 4.42Å
213K84.5Confident82.8Confident173 Ų17380.6 Ų80.675%0.75240%0.403SS*.Hα-helixtrans-84.5-37.5-180-176.1175.5177.7-179.40113.2H209 F210 V211H209-K213 WeakPolarHBondContact O-CB 3.37Å; H209-K213 PolarHBondContact O-N 3.05Å; H209-K213 VanDerWaalsContact O-N 3.09Å; F210-K213 PolarHBondContact O-N 3.07Å; V211-K213 PolarHBondContact O-N 3.39Å
214H82.7Confident82.7Confident119 Ų11982.3 Ų82.355%0.55141%0.408SS*.Hα-helixtrans-104.8-16.1-173.5-64.189.6000113.8F210 V211F210-H214 AromaticContact CD2-CE1 3.58Å; F210-H214 AromaticContact CD2-ND1 3.44Å; F210-H214 WeakPolarHBondContact CD2-ND1 3.28Å; F210-H214 HydrophobicContact CE1-CB 4.49Å; F210-H214 AromaticContact CE2-CE1 3.47Å; F210-H214 VanDerWaalsContact CE2-CE1 3.47Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.35Å; F210-H214 AromaticContact CE2-ND1 3.44Å; F210-H214 WeakPolarHBondContact CE2-ND1 3.49Å; F210-H214 AromaticContact CG-ND1 3.88Å; F210-H214 HydrophobicContact CZ-CB 4.49Å; F210-H214 AromaticContact CZ-ND1 3.88Å; F210-H214 WeakPolarHBondContact O-CB 3.21Å; F210-H214 PolarHBondContact O-N 3.4Å; F210-H214 PolarHBondContact O-ND1 3.4Å; V211-H214 PolarHBondContact O-N 2.95Å
215S73Confident82.7Confident39 Ų3981.6 Ų81.627%0.27342%0.417SS..SBendtrans-110.1131174.9-40.80000107.3V211 M217V211-S215 WeakPolarHBondContact O-CA 3.32Å; V211-S215 WeakPolarHBondContact O-CB 3.5Å; V211-S215 PolarHBondContact O-N 2.92Å; V211-S215 PolarHBondContact O-OG 3.41Å; S215-M217 PolarHBondContact O-N 2.89Å
216D74.9Confident82.8Confident180 Ų18081 Ų8196%0.96341%0.413SS*.  trans-67.120.8169.2-65.4-46.4000112.4
217M69.7Low82.8Confident64 Ų6477 Ų7732%0.31539%0.389SS..  trans-79129.1179.8-69.2-168.7-61.300109.5V211 S215 I226V211-M217 HydrophobicContact CG1-CE 3.43Å; V211-M217 VanDerWaalsContact CG1-CE 3.43Å; S215-M217 PolarHBondContact O-N 2.89Å; M217-I226 HydrophobicContact CE-CD1 4.31Å
218P76Confident82.9Confident89 Ų8978.6 Ų78.658%0.57840%0.401SS*.  trans-64.6163172.526.9-32.8000111.2N220 T223P218-N220 HydrophobicContact CG-CB 4.48Å; P218-N220 PolarHBondContact O-N 3.31Å; P218-T223 PolarHBondContact O-OG1 2.72Å; P218-T223 VanDerWaalsContact O-OG1 3.12Å
219D80.1Confident83Confident84 Ų8479.1 Ų79.145%0.44941%0.414SS..SBendtrans-68.782172.6-159.917.1000109.3K208 L212 H224K208-D219 VanDerWaalsContact CE-OD1 3.24Å; K208-D219 WeakPolarHBondContact CE-OD1 3.24Å; K208-D219 WeakPolarHBondContact CE-OD2 3.36Å; K208-D219 IonicContact NZ-OD1 3.9Å; K208-D219 PolarHBondContact NZ-OD1 2.69Å; K208-D219 IonicContact NZ-OD2 3.24Å; K208-D219 PolarHBondContact NZ-OD2 3.48Å; L212-D219 HydrophobicContact CD2-CB 4.14Å; D219-H224 IonicContact OD1-CD2 3.67Å; D219-H224 IonicContact OD1-CE1 2.63Å; D219-H224 IonicContact OD1-NE2 2.98Å; D219-H224 PolarHBondContact OD1-NE2 3.03Å
220N83.8Confident83.2Confident46 Ų4676 Ų7625%0.24641%0.405CS..SBendtrans-120.1176.9-176.171.914.2000111.1P218 V222 T223 H224P218-N220 HydrophobicContact CG-CB 4.48Å; P218-N220 PolarHBondContact O-N 3.31Å; N220-V222 PolarHBondContact O-N 2.94Å; N220-V222 VanDerWaalsContact O-N 3.15Å; N220-V222 WeakPolarHBondContact OD1-CA 3.37Å; N220-V222 WeakPolarHBondContact OD1-CB 3.4Å; N220-V222 PolarHBondContact OD1-N 3.14Å; N220-T223 PolarHBondContact O-N 2.72Å; N220-T223 VanDerWaalsContact O-N 3.17Å; N220-T223 PolarHBondContact OD1-N 3.46Å; N220-T223 PolarHBondContact OD1-OG1 3.35Å; N220-H224 PolarHBondContact O-CD2 2.88Å; N220-H224 PolarHBondContact O-N 3.21Å; N220-H224 VanDerWaalsContact O-N 3.13Å
221Y83.5Confident83.3Confident193 Ų19370.8 Ų70.876%0.75738%0.384SS*.Hα-helixtrans-58.4-27.5-179.955.9-92.2000113.5A225Y221-A225 VanDerWaalsContact O-CB 3.25Å; Y221-A225 WeakPolarHBondContact O-CB 3.41Å; Y221-A225 PolarHBondContact O-N 3.04Å
222V85.6Confident83.6Confident55 Ų5571 Ų7133%0.33339%0.388SS..Hα-helixtrans-71.4-46177.3-175.60000110.7N220 H224 A225 I226N220-V222 PolarHBondContact O-N 2.94Å; N220-V222 VanDerWaalsContact O-N 3.15Å; N220-V222 WeakPolarHBondContact OD1-CA 3.37Å; N220-V222 WeakPolarHBondContact OD1-CB 3.4Å; N220-V222 PolarHBondContact OD1-N 3.14Å; V222-H224 VanDerWaalsContact C-N 3.32Å; V222-H224 PolarHBondContact O-N 2.66Å; V222-A225 WeakPolarHBondContact O-CB 3.25Å; V222-A225 PolarHBondContact O-N 2.89Å; V222-A225 VanDerWaalsContact O-N 3.11Å; V222-I226 HydrophobicContact CG1-CD1 3.93Å; V222-I226 HydrophobicContact CG1-CG1 4.42Å; V222-I226 WeakPolarHBondContact O-CG1 3.47Å; V222-I226 PolarHBondContact O-N 3.31Å
223T85.3Confident84Confident0 Ų071.1 Ų71.10%039%0.389CS..Hα-helixtrans-57.2-47.1174.8-61.60000110.7V211 L212 P218 N220 A225 I226 S227V211-T223 HydrophobicContact CB-CG2 4.32Å; V211-T223 HydrophobicContact CG1-CG2 3.76Å; L212-T223 HydrophobicContact CD2-CG2 4.23Å; L212-T223 HydrophobicContact CG-CG2 4.42Å; P218-T223 PolarHBondContact O-OG1 2.72Å; P218-T223 VanDerWaalsContact O-OG1 3.12Å; N220-T223 PolarHBondContact O-N 2.72Å; N220-T223 VanDerWaalsContact O-N 3.17Å; N220-T223 PolarHBondContact OD1-N 3.46Å; N220-T223 PolarHBondContact OD1-OG1 3.35Å; T223-A225 VanDerWaalsContact C-N 3.34Å; T223-A225 PolarHBondContact O-N 2.87Å; T223-I226 PolarHBondContact O-N 3.49Å; T223-S227 WeakPolarHBondContact O-CB 3.49Å; T223-S227 PolarHBondContact O-N 2.96Å; T223-S227 PolarHBondContact O-OG 3.48Å; T223-S227 VanDerWaalsContact O-OG 3.13Å
224H86Confident84.3Confident64 Ų6463.9 Ų63.930%0.29636%0.361SS..Hα-helixtrans-63.1-37.2175.3-71-67.7000113.1Y204 D219 N220 V222 S228Y204-H224 AromaticContact CZ-ND1 3.96Å; Y204-H224 PolarHBondContact OH-ND1 2.95Å; D219-H224 IonicContact OD1-CD2 3.67Å; D219-H224 IonicContact OD1-CE1 2.63Å; D219-H224 IonicContact OD1-NE2 2.98Å; D219-H224 PolarHBondContact OD1-NE2 3.03Å; N220-H224 PolarHBondContact O-CD2 2.88Å; N220-H224 PolarHBondContact O-N 3.21Å; N220-H224 VanDerWaalsContact O-N 3.13Å; V222-H224 VanDerWaalsContact C-N 3.32Å; V222-H224 PolarHBondContact O-N 2.66Å; H224-S228 VanDerWaalsContact O-CB 3.22Å; H224-S228 WeakPolarHBondContact O-CB 3.38Å; H224-S228 PolarHBondContact O-N 3.03Å; H224-S228 PolarHBondContact O-OG 2.9Å
225A86.1Confident84.7Confident57 Ų5758.2 Ų58.247%0.47134%0.335SS..Hα-helixtrans-67.6-43.717800000112.1Y221 V222 T223 S228 A229Y221-A225 VanDerWaalsContact O-CB 3.25Å; Y221-A225 WeakPolarHBondContact O-CB 3.41Å; Y221-A225 PolarHBondContact O-N 3.04Å; V222-A225 WeakPolarHBondContact O-CB 3.25Å; V222-A225 PolarHBondContact O-N 2.89Å; V222-A225 VanDerWaalsContact O-N 3.11Å; T223-A225 VanDerWaalsContact C-N 3.34Å; T223-A225 PolarHBondContact O-N 2.87Å; A225-S228 PolarHBondContact O-N 3.38Å; A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.43Å; A225-A229 PolarHBondContact O-N 2.9Å
226I87.4Confident85.6Confident67 Ų6756.4 Ų56.434%0.34432%0.322SS..Hα-helixtrans-63.5-49.3176.5-66.3168.7000109.9V207 V211 M217 V222 T223 S228 A229 C230V207-I226 HydrophobicContact CG1-CG2 4.48Å; V211-I226 HydrophobicContact CG2-CG2 4.42Å; M217-I226 HydrophobicContact CE-CD1 4.31Å; V222-I226 HydrophobicContact CG1-CD1 3.93Å; V222-I226 HydrophobicContact CG1-CG1 4.42Å; V222-I226 WeakPolarHBondContact O-CG1 3.47Å; V222-I226 PolarHBondContact O-N 3.31Å; T223-I226 PolarHBondContact O-N 3.49Å; I226-S228 VanDerWaalsContact C-N 3.3Å; I226-S228 PolarHBondContact O-N 3.14Å; I226-A229 PolarHBondContact O-N 3.13Å; I226-C230 PolarHBondContact O-N 2.9Å; I226-C230 PolarHBondContact O-SG 3.33Å
227S87.9Confident86.5Confident0 Ų051.3 Ų51.30%030%0.295CS..Hα-helixtrans-59.4-41.6177.6-62.90000112.2K208 T223 S231K208-S227 WeakPolarHBondContact CA-OG 3.32Å; K208-S227 PolarHBondContact N-OG 3.41Å; T223-S227 WeakPolarHBondContact O-CB 3.49Å; T223-S227 PolarHBondContact O-N 2.96Å; T223-S227 PolarHBondContact O-OG 3.48Å; T223-S227 VanDerWaalsContact O-OG 3.13Å; S227-S231 WeakPolarHBondContact O-CB 3.34Å; S227-S231 PolarHBondContact O-N 3.12Å; S227-S231 PolarHBondContact O-OG 3.03Å
228S87.6Confident87.5Confident58 Ų5850.9 Ų50.941%0.40630%0.296SS..Hα-helixtrans-68.1-36.6177-57.40000112.8H224 A225 I226 S231 G232H224-S228 VanDerWaalsContact O-CB 3.22Å; H224-S228 WeakPolarHBondContact O-CB 3.38Å; H224-S228 PolarHBondContact O-N 3.03Å; H224-S228 PolarHBondContact O-OG 2.9Å; A225-S228 PolarHBondContact O-N 3.38Å; I226-S228 VanDerWaalsContact C-N 3.3Å; I226-S228 PolarHBondContact O-N 3.14Å; S228-S231 WeakPolarHBondContact CA-OG 3.3Å; S228-S231 PolarHBondContact O-OG 3.11Å; S228-G232 PolarHBondContact O-N 2.81Å
229A88.7Confident88.3Confident59 Ų5946.6 Ų46.649%0.48827%0.268SS..Hα-helixtrans-67.7-44.317700000111.2A225 I226 L233A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.43Å; A225-A229 PolarHBondContact O-N 2.9Å; I226-A229 PolarHBondContact O-N 3.13Å; A229-L233 WeakPolarHBondContact O-CB 3.08Å; A229-L233 PolarHBondContact O-N 3.36Å
230C89.3Confident88.9Confident50 Ų5042.6 Ų42.634%0.33825%0.247SC..Hα-helixtrans-64.7-42.4175.2-68.90000111.8T203 V207 I226 L233 A234T203-C230 HydrophobicContact CG2-CB 4.28Å; V207-C230 HydrophobicContact CB-CB 4.46Å; V207-C230 HydrophobicContact CG1-CB 4.17Å; V207-C230 HydrophobicContact CG2-CB 3.81Å; I226-C230 PolarHBondContact O-N 2.9Å; I226-C230 PolarHBondContact O-SG 3.33Å; C230-L233 PolarHBondContact O-N 3.04Å; C230-A234 WeakPolarHBondContact O-CB 3.32Å; C230-A234 PolarHBondContact O-N 2.85Å
231S89.7Confident89.4Confident13 Ų1341.4 Ų41.49%0.09124%0.242CC..Hα-helixtrans-63.9-46177.774.90000111.7D200 S227 S228 L233 A234 A235D200-S231 WeakPolarHBondContact O-CB 3.4Å; S227-S231 WeakPolarHBondContact O-CB 3.34Å; S227-S231 PolarHBondContact O-N 3.12Å; S227-S231 PolarHBondContact O-OG 3.03Å; S228-S231 WeakPolarHBondContact CA-OG 3.3Å; S228-S231 PolarHBondContact O-OG 3.11Å; S231-L233 VanDerWaalsContact C-N 3.29Å; S231-L233 PolarHBondContact O-N 3.3Å; S231-A234 PolarHBondContact O-N 3.33Å; S231-A235 WeakPolarHBondContact O-CB 3.4Å; S231-A235 PolarHBondContact O-N 3.32Å
232G89.5Confident89.8Confident15 Ų1533.7 Ų33.716%0.15521%0.212CC..Hα-helixtrans-62.1-35.3176.400000113S228 A236S228-G232 PolarHBondContact O-N 2.81Å; G232-A236 WeakPolarHBondContact O-CB 3.31Å; G232-A236 PolarHBondContact O-N 3.29Å
233L91.8Very high90.1Very high68 Ų6831.2 Ų31.236%0.35620%0.198SC..Hα-helixtrans-67.8-47.6174-177.164.6000111.7A229 C230 S231 A235 A236 L237 F292A229-L233 WeakPolarHBondContact O-CB 3.08Å; A229-L233 PolarHBondContact O-N 3.36Å; C230-L233 PolarHBondContact O-N 3.04Å; S231-L233 VanDerWaalsContact C-N 3.29Å; S231-L233 PolarHBondContact O-N 3.3Å; L233-A235 PolarHBondContact O-N 2.87Å; L233-A236 PolarHBondContact O-N 2.81Å; L233-L237 HydrophobicContact CG-CD1 4.23Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.96Å; L233-F292 HydrophobicContact CD1-CE2 4.38Å; L233-F292 HydrophobicContact CD1-CZ 3.67Å
234A91.6Very high90.5Very high21 Ų2131.2 Ų31.217%0.17420%0.198CC..Hα-helixtrans-61.3-45.2177.700000111.4T203 C230 S231 A236 L237 T238T203-A234 HydrophobicContact CG2-CB 3.82Å; T203-A234 VanDerWaalsContact OG1-CB 3.24Å; T203-A234 WeakPolarHBondContact OG1-CB 3.41Å; C230-A234 WeakPolarHBondContact O-CB 3.32Å; C230-A234 PolarHBondContact O-N 2.85Å; S231-A234 PolarHBondContact O-N 3.33Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 2.87Å; A234-L237 PolarHBondContact O-N 3.49Å; A234-T238 WeakPolarHBondContact O-CG2 3.06Å; A234-T238 PolarHBondContact O-N 2.71Å; A234-T238 PolarHBondContact O-OG1 3.38Å
235A91.7Very high90.8Very high1 Ų128.3 Ų28.31%0.00818%0.184CC..Hα-helixtrans-61.7-39.417500000112.2V196 D200 S231 L233 T238 S239V196-A235 HydrophobicContact CG1-CB 4.41Å; D200-A235 WeakPolarHBondContact OD1-CB 3.46Å; S231-A235 WeakPolarHBondContact O-CB 3.4Å; S231-A235 PolarHBondContact O-N 3.32Å; L233-A235 PolarHBondContact O-N 2.87Å; A235-T238 PolarHBondContact O-OG1 3.26Å; A235-S239 WeakPolarHBondContact O-CB 3.31Å; A235-S239 PolarHBondContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 3.06Å
236A91.7Very high91.1Very high0 Ų026.2 Ų26.20%017%0.165CC..Hα-helixtrans-63.7-44.3173.800000111.4G232 L233 A234 S239 T240 F292 I295G232-A236 WeakPolarHBondContact O-CB 3.31Å; G232-A236 PolarHBondContact O-N 3.29Å; L233-A236 PolarHBondContact O-N 2.81Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 2.87Å; A236-S239 PolarHBondContact O-N 3.06Å; A236-T240 WeakPolarHBondContact O-CB 3.46Å; A236-T240 PolarHBondContact O-N 2.89Å; A236-T240 PolarHBondContact O-OG1 3.2Å; A236-F292 HydrophobicContact CB-CD2 4.35Å; A236-F292 HydrophobicContact CB-CE2 3.83Å; A236-I295 HydrophobicContact CB-CG2 4.36Å
237L93.2Very high91.3Very high73 Ų7323.3 Ų23.338%0.38215%0.15SC..Hα-helixtrans-62.7-44.4179.1-72.8169.6000112.3L233 A234 P241 Y289 F292L233-L237 HydrophobicContact CG-CD1 4.23Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.96Å; A234-L237 PolarHBondContact O-N 3.49Å; L237-P241 VanDerWaalsContact O-CD 3.3Å; L237-P241 WeakPolarHBondContact O-CD 3.36Å; L237-Y289 HydrophobicContact CD2-CE1 4.05Å; L237-F292 HydrophobicContact CD2-CD2 4.39Å; L237-F292 HydrophobicContact CD2-CE2 3.7Å; L237-F292 HydrophobicContact CD2-CZ 4.12Å; L237-F292 HydrophobicContact CG-CE2 4.01Å; L237-F292 HydrophobicContact CG-CZ 4.5Å
238T91.5Very high91.4Very high55 Ų5523.3 Ų23.334%0.33715%0.15SC..Hα-helixtrans-75.9-30.2-178.559.30000112.8S199 A234 A235S199-T238 PolarHBondContact OG-OG1 3.26Å; A234-T238 WeakPolarHBondContact O-CG2 3.06Å; A234-T238 PolarHBondContact O-N 2.71Å; A234-T238 PolarHBondContact O-OG1 3.38Å; A235-T238 PolarHBondContact O-OG1 3.26Å
239S91.8Very high91.5Very high0 Ų021.5 Ų21.50%014%0.135CC..Hα-helixtrans-90.4-26.4-176.567.30000114.8A235 A236 M242 D243A235-S239 WeakPolarHBondContact O-CB 3.31Å; A235-S239 PolarHBondContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 3.06Å; A236-S239 PolarHBondContact O-N 3.06Å; S239-M242 WeakPolarHBondContact O-CB 3.1Å; S239-M242 PolarHBondContact O-N 2.88Å; S239-D243 PolarHBondContact O-N 3.5Å
240T93.5Very high91.5Very high0 Ų018.7 Ų18.70%011%0.112CC..Hα-helixtrans-58-43.9-176.3-58.90000113.2A236 M242 D243 V244 L288 F292 I295A236-T240 WeakPolarHBondContact O-CB 3.46Å; A236-T240 PolarHBondContact O-N 2.89Å; A236-T240 PolarHBondContact O-OG1 3.2Å; T240-M242 VanDerWaalsContact C-N 3.26Å; T240-M242 PolarHBondContact O-N 2.94Å; T240-D243 PolarHBondContact O-N 3.35Å; T240-D243 VanDerWaalsContact O-N 3.12Å; T240-V244 HydrophobicContact CG2-CG2 4.41Å; T240-V244 VanDerWaalsContact O-CG2 3.29Å; T240-V244 WeakPolarHBondContact O-CG2 3.33Å; T240-V244 PolarHBondContact O-N 3.4Å; T240-L288 CarbonylContact C-O 3.54Å; T240-F292 HydrophobicContact CG2-CB 4.24Å; T240-I295 HydrophobicContact CG2-CD1 4Å
241P93.6Very high91.4Very high21 Ų2117.2 Ų17.214%0.13610%0.101CC..Hα-helixtrans-57.7-40.3175.3-2736.5000112.8L237 V244 V245 L288 Y289L237-P241 VanDerWaalsContact O-CD 3.3Å; L237-P241 WeakPolarHBondContact O-CD 3.36Å; P241-V244 PolarHBondContact O-N 2.88Å; P241-V245 WeakPolarHBondContact O-CG2 3.1Å; P241-V245 PolarHBondContact O-N 3.31Å; P241-V245 VanDerWaalsContact O-N 3.13Å; P241-L288 WeakPolarHBondContact CA-O 3.45Å; P241-L288 HydrophobicContact CB-CB 4.13Å; P241-L288 HydrophobicContact CG-CB 4.34Å; P241-Y289 HydrophobicContact CG-CE1 4.32Å; P241-Y289 HydrophobicContact CG-CE2 4.48Å
242M92Very high90.9Very high30 Ų3017.1 Ų17.115%0.14810%0.099CC..Hα-helixtrans-68.9-36.9177.8-63.2-47.7-51.700112.1P188 Q191 R192 L195 S239 T240 V245 K246P188-M242 HydrophobicContact CB-CE 3.84Å; P188-M242 HydrophobicContact CG-CE 4.45Å; Q191-M242 HydrophobicContact CB-CE 3.81Å; Q191-M242 HydrophobicContact CG-CE 4.47Å; R192-M242 HydrophobicContact CB-CB 3.85Å; R192-M242 HydrophobicContact CG-CB 4.34Å; L195-M242 HydrophobicContact CD1-CG 3.72Å; S239-M242 WeakPolarHBondContact O-CB 3.1Å; S239-M242 PolarHBondContact O-N 2.88Å; T240-M242 VanDerWaalsContact C-N 3.26Å; T240-M242 PolarHBondContact O-N 2.94Å; M242-V245 PolarHBondContact O-N 2.74Å; M242-K246 WeakPolarHBondContact O-CB 3.27Å; M242-K246 PolarHBondContact O-N 2.87Å
243D92.8Very high89.7Confident4 Ų416.5 Ų16.52%0.0219%0.092CC..Hα-helixtrans-64.9-40.2174.7-78.1-35.3000111.7R192 S239 T240 K246 T247R192-D243 WeakPolarHBondContact CD-OD1 3.31Å; R192-D243 IonicContact CZ-OD1 3.48Å; R192-D243 IonicContact CZ-OD2 2.93Å; R192-D243 VanDerWaalsContact NE-CG 3.32Å; R192-D243 IonicContact NE-OD1 3.61Å; R192-D243 PolarHBondContact NE-OD1 2.91Å; R192-D243 IonicContact NE-OD2 2.72Å; R192-D243 PolarHBondContact NE-OD2 3.27Å; R192-D243 IonicContact NH2-OD2 2.82Å; R192-D243 PolarHBondContact NH2-OD2 3.33Å; S239-D243 PolarHBondContact O-N 3.5Å; T240-D243 PolarHBondContact O-N 3.35Å; T240-D243 VanDerWaalsContact O-N 3.12Å; D243-K246 WeakPolarHBondContact O-CB 3.28Å; D243-K246 PolarHBondContact O-N 2.89Å; D243-T247 WeakPolarHBondContact O-CB 3.29Å; D243-T247 PolarHBondContact O-N 3.44Å; D243-T247 PolarHBondContact O-OG1 3.24Å
244V93.1Very high88.2Confident0 Ų013.4 Ų13.40%08%0.076CC..Hα-helixtrans-61.6-48.6175.6178.20000111Q49 T240 P241 T247 R248 L288Q49-V244 HydrophobicContact CG-CG2 3.84Å; T240-V244 HydrophobicContact CG2-CG2 4.41Å; T240-V244 VanDerWaalsContact O-CG2 3.29Å; T240-V244 WeakPolarHBondContact O-CG2 3.33Å; T240-V244 PolarHBondContact O-N 3.4Å; P241-V244 PolarHBondContact O-N 2.88Å; V244-T247 PolarHBondContact O-N 2.66Å; V244-R248 WeakPolarHBondContact O-CB 3.38Å; V244-R248 WeakPolarHBondContact O-CG 3.45Å; V244-R248 PolarHBondContact O-N 3.1Å; V244-L288 WeakPolarHBondContact CG2-O 3.23Å
245V92.6Very high86.3Confident2 Ų213.7 Ų13.71%0.0128%0.078CC..Hα-helixtrans-65.3-40.8180177.50000111.1P188 P241 M242 M249 T272 C275 L276P188-V245 HydrophobicContact CG-CG1 3.96Å; P241-V245 WeakPolarHBondContact O-CG2 3.1Å; P241-V245 PolarHBondContact O-N 3.31Å; P241-V245 VanDerWaalsContact O-N 3.13Å; M242-V245 PolarHBondContact O-N 2.74Å; V245-M249 VanDerWaalsContact O-CB 3.24Å; V245-M249 WeakPolarHBondContact O-CB 3.38Å; V245-M249 PolarHBondContact O-N 3.4Å; V245-T272 HydrophobicContact CG1-CG2 3.71Å; V245-C275 HydrophobicContact CG1-CB 4.17Å; V245-L276 HydrophobicContact CG2-CB 4.17Å; V245-L276 HydrophobicContact CG2-CD1 3.95Å
246K92.4Very high84.2Confident14 Ų1415 Ų156%0.0619%0.088CC..Hα-helixtrans-55.5-56173.6179.9-174.5176.6177.90110.8D142 P188 M242 D243 R248 M249 M250D142-K246 VanDerWaalsContact CG-NZ 3.33Å; D142-K246 IonicContact OD1-NZ 3.69Å; D142-K246 IonicContact OD2-NZ 3.49Å; D142-K246 PolarHBondContact OD2-NZ 3.17Å; P188-K246 HydrophobicContact CB-CB 3.69Å; P188-K246 HydrophobicContact CB-CG 4.43Å; M242-K246 WeakPolarHBondContact O-CB 3.27Å; M242-K246 PolarHBondContact O-N 2.87Å; D243-K246 WeakPolarHBondContact O-CB 3.28Å; D243-K246 PolarHBondContact O-N 2.89Å; K246-R248 VanDerWaalsContact C-N 3.34Å; K246-R248 PolarHBondContact O-N 3.02Å; K246-M249 PolarHBondContact O-N 2.93Å; K246-M250 HydrophobicContact CD-CE 4.47Å; K246-M250 HydrophobicContact CD-SD 4.32Å; K246-M250 HydrophobicContact CG-CE 4.03Å; K246-M250 HydrophobicContact CG-CG 4.44Å; K246-M250 HydrophobicContact CG-SD 3.71Å; K246-M250 WeakPolarHBondContact O-CB 3.27Å; K246-M250 VanDerWaalsContact O-CG 3.31Å; K246-M250 WeakPolarHBondContact O-CG 3.48Å; K246-M250 PolarHBondContact O-N 3.22Å
247T92.1Very high82Confident5 Ų520.1 Ų20.13%0.03111%0.107CC..Hα-helixtrans-62.2-41.6-173.8-630000111.3T46 Q49 L50 V146 D243 V244 N251T46-T247 HydrophobicContact CG2-CG2 4.37Å; Q49-T247 HydrophobicContact CB-CG2 4.04Å; Q49-T247 PolarHBondContact OE1-OG1 3.35Å; L50-T247 HydrophobicContact CD1-CG2 4.31Å; L50-T247 HydrophobicContact CD2-CG2 3.7Å; L50-T247 HydrophobicContact CG-CG2 3.73Å; V146-T247 HydrophobicContact CG1-CG2 4.05Å; V146-T247 WeakPolarHBondContact CG1-O 3.47Å; D243-T247 WeakPolarHBondContact O-CB 3.29Å; D243-T247 PolarHBondContact O-N 3.44Å; D243-T247 PolarHBondContact O-OG1 3.24Å; V244-T247 PolarHBondContact O-N 2.66Å; T247-N251 VanDerWaalsContact O-CB 3.27Å; T247-N251 WeakPolarHBondContact O-CB 3.25Å; T247-N251 PolarHBondContact O-N 3.37Å
248R89.8Confident79.8Confident0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-66.5-47.3175.8-70.8173.1179-136.7-9.7112.8Q49 Q51 V244 K246 M250 N251 Q252 Y269 T279 E283Q49-R248 PolarHBondContact O-NE 2.67Å; Q49-R248 PolarHBondContact O-NH2 2.69Å; Q51-R248 PolarHBondContact O-NH2 3.45Å; V244-R248 WeakPolarHBondContact O-CB 3.38Å; V244-R248 WeakPolarHBondContact O-CG 3.45Å; V244-R248 PolarHBondContact O-N 3.1Å; K246-R248 VanDerWaalsContact C-N 3.34Å; K246-R248 PolarHBondContact O-N 3.02Å; R248-M250 VanDerWaalsContact C-N 3.31Å; R248-M250 PolarHBondContact O-N 3.05Å; R248-N251 PolarHBondContact O-N 3.03Å; R248-Q252 PolarHBondContact O-N 2.88Å; R248-Y269 HydrophobicContact CB-CE2 3.92Å; R248-T279 PolarHBondContact NH1-OG1 3.31Å; R248-E283 IonicContact CZ-OE1 3.21Å; R248-E283 IonicContact CZ-OE2 2.9Å; R248-E283 IonicContact NH1-OE1 3.1Å; R248-E283 PolarHBondContact NH1-OE1 2.98Å; R248-E283 IonicContact NH1-OE2 3.87Å; R248-E283 VanDerWaalsContact NH2-CD 3.25Å; R248-E283 IonicContact NH2-OE1 2.94Å; R248-E283 PolarHBondContact NH2-OE1 2.92Å; R248-E283 IonicContact NH2-OE2 2.74Å; R248-E283 PolarHBondContact NH2-OE2 3.26Å
249M88.7Confident77.4Confident20 Ų2020 Ų2010%0.09912%0.115CC..Hα-helixtrans-61.7-40.5178.5-169.559.262.100112G185 V245 K246 Y269 S271 C275G185-M249 VanDerWaalsContact CA-CG 3.4Å; V245-M249 VanDerWaalsContact O-CB 3.24Å; V245-M249 WeakPolarHBondContact O-CB 3.38Å; V245-M249 PolarHBondContact O-N 3.4Å; K246-M249 PolarHBondContact O-N 2.93Å; M249-Y269 HydrophobicContact CE-CG 4.48Å; M249-S271 VanDerWaalsContact CE-O 3.24Å; M249-S271 WeakPolarHBondContact CE-O 3.19Å; M249-C275 HydrophobicContact CE-CB 3.61Å
250M89.1Confident75Confident0 Ų022.7 Ų22.70%013%0.133CC..Hα-helixtrans-69.7-41.2177.1-74.3-177.7166.100112D142 L143 V146 K246 R248 Q252 S253D142-M250 HydrophobicContact CB-CE 3.88Å; D142-M250 HydrophobicContact CB-SD 4.07Å; L143-M250 HydrophobicContact CD1-CB 3.65Å; L143-M250 HydrophobicContact CD1-CG 3.87Å; L143-M250 VanDerWaalsContact CD1-O 3.29Å; L143-M250 WeakPolarHBondContact CD1-O 3.44Å; V146-M250 HydrophobicContact CB-CB 4.09Å; V146-M250 HydrophobicContact CG1-CB 3.92Å; V146-M250 HydrophobicContact CG2-CB 4.32Å; V146-M250 HydrophobicContact CG2-SD 4.09Å; K246-M250 HydrophobicContact CD-CE 4.47Å; K246-M250 HydrophobicContact CD-SD 4.32Å; K246-M250 HydrophobicContact CG-CE 4.03Å; K246-M250 HydrophobicContact CG-CG 4.44Å; K246-M250 HydrophobicContact CG-SD 3.71Å; K246-M250 WeakPolarHBondContact O-CB 3.27Å; K246-M250 VanDerWaalsContact O-CG 3.31Å; K246-M250 WeakPolarHBondContact O-CG 3.48Å; K246-M250 PolarHBondContact O-N 3.22Å; R248-M250 VanDerWaalsContact C-N 3.31Å; R248-M250 PolarHBondContact O-N 3.05Å; M250-Q252 VanDerWaalsContact C-N 3.33Å; M250-Q252 PolarHBondContact O-N 3.29Å; M250-S253 WeakPolarHBondContact O-CB 3.21Å; M250-S253 PolarHBondContact O-N 3.47Å; M250-S253 PolarHBondContact O-OG 2.92Å
251N86.7Confident72.6Confident19 Ų1928.5 Ų28.510%0.10217%0.174CC..Hα-helixtrans-65.4-34.5177.7-178.748.6000113.1L50 E53 V146 A150 R162 T247 R248 S253L50-N251 HydrophobicContact CD2-CB 3.52Å; E53-N251 PolarHBondContact OE2-ND2 3.37Å; V146-N251 HydrophobicContact CG1-CB 4.18Å; A150-N251 VanDerWaalsContact CB-OD1 3.23Å; A150-N251 WeakPolarHBondContact CB-OD1 3.2Å; R162-N251 PolarHBondContact NH1-O 3.41Å; R162-N251 PolarHBondContact NH2-OD1 3Å; T247-N251 VanDerWaalsContact O-CB 3.27Å; T247-N251 WeakPolarHBondContact O-CB 3.25Å; T247-N251 PolarHBondContact O-N 3.37Å; R248-N251 PolarHBondContact O-N 3.03Å; N251-S253 VanDerWaalsContact C-N 3.26Å; N251-S253 PolarHBondContact O-N 3.44Å
252Q80.3Confident70.1Confident11 Ų1129 Ų295%0.05118%0.183CC..Hα-helixtrans-64.7-27.7177.7-173.3-168.7-58.600113.3R248 M250 M254 A255 P267 Y269R248-Q252 PolarHBondContact O-N 2.88Å; M250-Q252 VanDerWaalsContact C-N 3.33Å; M250-Q252 PolarHBondContact O-N 3.29Å; Q252-M254 PolarHBondContact O-N 3.16Å; Q252-A255 HydrophobicContact CG-CB 4.31Å; Q252-A255 WeakPolarHBondContact O-CB 3.44Å; Q252-A255 PolarHBondContact O-N 3.39Å; Q252-P267 VanDerWaalsContact NE2-CA 3.35Å; Q252-Y269 PolarHBondContact NE2-O 2.93Å; Q252-Y269 VanDerWaalsContact OE1-CA 3.31Å
253S63Low67.9Low3 Ų334 Ų342%0.02122%0.217CC..THydrogen-bonded Turntrans-45.7-36-176.362.50000113.3L143 R184 M250 N251L143-S253 WeakPolarHBondContact CD1-OG 3.09Å; R184-S253 PolarHBondContact NH1-O 3.13Å; R184-S253 VanDerWaalsContact NH1-O 3.11Å; M250-S253 WeakPolarHBondContact O-CB 3.21Å; M250-S253 PolarHBondContact O-N 3.47Å; M250-S253 PolarHBondContact O-OG 2.92Å; N251-S253 VanDerWaalsContact C-N 3.26Å; N251-S253 PolarHBondContact O-N 3.44Å
254M61.4Low65.4Low3 Ų340.1 Ų40.12%0.01525%0.251CS..THydrogen-bonded Turntrans-96.6-14.1179.8-74.1-77162.600115L147 R162 V172 V173 Q252 S256 R257L147-M254 HydrophobicContact CD1-CE 3.91Å; L147-M254 HydrophobicContact CD1-CG 3.66Å; L147-M254 HydrophobicContact CD2-CB 3.92Å; L147-M254 HydrophobicContact CD2-CG 3.51Å; L147-M254 HydrophobicContact CG-CG 4.21Å; R162-M254 VanDerWaalsContact NH1-CB 3.28Å; V172-M254 HydrophobicContact CB-CE 3.82Å; V172-M254 HydrophobicContact CB-SD 4.28Å; V172-M254 HydrophobicContact CG1-CE 3.51Å; V172-M254 HydrophobicContact CG1-SD 3.41Å; V172-M254 WeakPolarHBondContact CG1-SD 3.4Å; V173-M254 HydrophobicContact CB-CE 3.83Å; V173-M254 HydrophobicContact CG2-CE 3.09Å; V173-M254 VanDerWaalsContact N-CE 3.27Å; Q252-M254 PolarHBondContact O-N 3.16Å; M254-S256 PolarHBondContact O-N 3.16Å; M254-R257 PolarHBondContact O-N 2.98Å
255A52.1Low63.4Low27 Ų2742.8 Ų42.822%0.22327%0.268CS..Hα-helixtrans-60.4-30.9173.900000110.3Q252 R257 V258 A259Q252-A255 HydrophobicContact CG-CB 4.31Å; Q252-A255 WeakPolarHBondContact O-CB 3.44Å; Q252-A255 PolarHBondContact O-N 3.39Å; A255-R257 VanDerWaalsContact C-N 3.25Å; A255-R257 PolarHBondContact O-N 3.22Å; A255-V258 PolarHBondContact O-N 3.3Å; A255-A259 WeakPolarHBondContact O-CB 3.3Å; A255-A259 PolarHBondContact O-N 3Å
256S47.1Very low61.5Low29 Ų2949 Ų4920%0.20330%0.297CS..Hα-helixtrans-58.5-29.7176.3-66.40000113.8M254 S260 P265M254-S256 PolarHBondContact O-N 3.16Å; S256-S260 WeakPolarHBondContact O-CB 3.36Å; S256-S260 PolarHBondContact O-N 3.33Å; S256-S260 PolarHBondContact O-OG 2.8Å; S256-P265 WeakPolarHBondContact O-CB 3.37Å
257R46.3Very low60.1Low107 Ų10751.1 Ų51.140%0.40431%0.312SS..Hα-helixtrans-87.2-29.6174.7-93.8-168.8179177.68.3115.8S175 E176 M254 A255 S260S175-R257 PolarHBondContact O-NH2 3.32Å; S175-R257 PolarHBondContact OG-NH1 2.99Å; S175-R257 PolarHBondContact OG-NH2 3.09Å; E176-R257 VanDerWaalsContact CG-CD 3.44Å; E176-R257 HydrophobicContact CG-CG 3.72Å; E176-R257 VanDerWaalsContact OE1-CB 3.26Å; E176-R257 WeakPolarHBondContact OE1-CB 3.26Å; E176-R257 WeakPolarHBondContact OE1-CD 3.24Å; E176-R257 WeakPolarHBondContact OE1-CG 3.34Å; E176-R257 IonicContact OE1-NE 3.96Å; M254-R257 PolarHBondContact O-N 2.98Å; A255-R257 VanDerWaalsContact C-N 3.25Å; A255-R257 PolarHBondContact O-N 3.22Å; R257-S260 WeakPolarHBondContact CA-OG 3.34Å; R257-S260 PolarHBondContact O-OG 3.14Å
258V45.2Very low59Low68 Ų6853.7 Ų53.741%0.41232%0.322SS..Hα-helixtrans-80.8-34.5176.6-178.80000110.4R162 A255 S260R162-V258 HydrophobicContact CG-CG2 3.7Å; A255-V258 PolarHBondContact O-N 3.3Å; V258-S260 VanDerWaalsContact C-N 3.3Å
259A43Very low58.4Low57 Ų5754 Ų5447%0.47132%0.322SS..G310 helixtrans-77.1-15.1172.100000112.9A255 S261 G262A255-A259 WeakPolarHBondContact O-CB 3.3Å; A255-A259 PolarHBondContact O-N 3Å; A259-S261 PolarHBondContact O-N 3.16Å; A259-S261 VanDerWaalsContact O-N 3.12Å; A259-G262 PolarHBondContact O-N 3.27Å
260S39.6Very low57.8Low56 Ų5660.1 Ų60.139%0.39235%0.349SS..G310 helixtrans-73.49.2176.860.30000115.1S256 R257 V258 G262S256-S260 WeakPolarHBondContact O-CB 3.36Å; S256-S260 PolarHBondContact O-N 3.33Å; S256-S260 PolarHBondContact O-OG 2.8Å; R257-S260 WeakPolarHBondContact CA-OG 3.34Å; R257-S260 PolarHBondContact O-OG 3.14Å; V258-S260 VanDerWaalsContact C-N 3.3Å; S260-G262 PolarHBondContact O-N 3.19Å
261S44.8Very low57.6Low122 Ų12262.8 Ų62.885%0.85337%0.367SS*.G310 helixtrans-71.4-8156.8-57.50000112.3A259A259-S261 PolarHBondContact O-N 3.16Å; A259-S261 VanDerWaalsContact O-N 3.12Å
262G40.5Very low57.6Low31 Ų3163.7 Ų63.732%0.3237%0.373SS..SBendtrans-104.5155.6172.500000113.6A259 S260 N264A259-G262 PolarHBondContact O-N 3.27Å; S260-G262 PolarHBondContact O-N 3.19Å; G262-N264 PolarHBondContact O-N 3.23Å
263P45Very low58Low135 Ų13566.3 Ų66.388%0.87740%0.397SS*.SBendtrans-68.2-4.7-168.723.6-32.1000116.1
264N39.9Very low59.2Low134 Ų13467.6 Ų67.672%0.71740%0.404SS*.  trans-149.585.2174.5-92.3-42.3000110.1G262 Q266G262-N264 PolarHBondContact O-N 3.23Å; N264-Q266 PolarHBondContact O-N 2.84Å
265P51.1Low60.4Low56 Ų5667.5 Ų67.536%0.36440%0.403SS..  trans-70.780.917626.9-30.9000109.9S256S256-P265 WeakPolarHBondContact O-CB 3.37Å
266Q54.2Low62.3Low132 Ų13269.7 Ų69.762%0.61741%0.411SS*.  trans-77.9135.8173.4-69.2-158.720.100110.3N264 Y268N264-Q266 PolarHBondContact O-N 2.84Å; Q266-Y268 PolarHBondContact O-N 3.41Å
267P63.3Low64.3Low59 Ų5977 Ų7738%0.38343%0.434SS..  trans-56.3129.3170.222.1-30.7000110.2Q252 Y269Q252-P267 VanDerWaalsContact NE2-CA 3.35Å; P267-Y269 VanDerWaalsContact C-N 3.27Å; P267-Y269 PolarHBondContact O-N 3.04Å
268Y68.4Low66.3Low59 Ų5975.5 Ų75.523%0.23143%0.428CS..SBendtrans-58.4-39.9-179.4-177.6-100.3000112.2H54 Q266 R278H54-Y268 AromaticContact CE1-CD2 3.29Å; H54-Y268 WeakPolarHBondContact CE1-CD2 3.35Å; H54-Y268 AromaticContact CE1-CE2 3.86Å; H54-Y268 AromaticContact CE1-CG 3.45Å; H54-Y268 VanDerWaalsContact CE1-CG 3.45Å; H54-Y268 AromaticContact ND1-CD2 3.72Å; H54-Y268 AromaticContact ND1-CE2 3.83Å; H54-Y268 AromaticContact NE2-CG 3.85Å; Q266-Y268 PolarHBondContact O-N 3.41Å; Y268-R278 VanDerWaalsContact O-CZ 3.25Å; Y268-R278 PolarHBondContact O-NH1 2.93Å
269Y76.3Confident68.4Low5 Ų572.2 Ų72.22%0.0241%0.409CS..  trans-108125.8169.5-51.7-61.1000109.5E53 R248 M249 Q252 P267 C275 R278E53-Y269 WeakPolarHBondContact OE1-CE2 3.44Å; R248-Y269 HydrophobicContact CB-CE2 3.92Å; M249-Y269 HydrophobicContact CE-CG 4.48Å; Q252-Y269 PolarHBondContact NE2-O 2.93Å; Q252-Y269 VanDerWaalsContact OE1-CA 3.31Å; P267-Y269 VanDerWaalsContact C-N 3.27Å; P267-Y269 PolarHBondContact O-N 3.04Å; Y269-C275 HydrophobicContact CD1-CB 3.71Å; Y269-C275 HydrophobicContact CD2-CB 4Å; Y269-C275 HydrophobicContact CE1-CB 4.17Å; Y269-C275 HydrophobicContact CG-CB 3.6Å; Y269-R278 HydrophobicContact CD1-CB 4.45Å; Y269-R278 HydrophobicContact CE1-CB 4.07Å
270K77.5Confident70.6Confident150 Ų15072.1 Ų72.165%0.65240%0.402SS*.SBendtrans-78.1-30.8177.9-64.2-178177.6-175.70112.7D274K270-D274 HydrophobicContact CB-CB 4.43Å; K270-D274 PolarHBondContact N-OD2 3.42Å
271S84Confident72.9Confident55 Ų5578.8 Ų78.839%0.38542%0.419SS..SBendtrans-155.3166.5-176.7710000111M249 A273 D274 C275M249-S271 VanDerWaalsContact CE-O 3.24Å; M249-S271 WeakPolarHBondContact CE-O 3.19Å; S271-A273 PolarHBondContact O-N 3.37Å; S271-A273 PolarHBondContact OG-N 3.31Å; S271-D274 PolarHBondContact O-N 3.16Å; S271-D274 VanDerWaalsContact O-N 3.13Å; S271-D274 PolarHBondContact OG-N 3.28Å; S271-D274 VanDerWaalsContact OG-N 3.12Å; S271-C275 PolarHBondContact O-N 2.91Å
272T86.4Confident74.8Confident38 Ų3876.1 Ų76.123%0.23340%0.395CS..Hα-helixtrans-52.2-42.8172-60.50000112.3P188 V245 C275 L276P188-T272 HydrophobicContact CG-CG2 3.59Å; V245-T272 HydrophobicContact CG1-CG2 3.71Å; T272-C275 WeakPolarHBondContact O-CB 3.42Å; T272-C275 PolarHBondContact O-N 3.21Å; T272-L276 PolarHBondContact O-N 3.35Å
273A88.8Confident76.9Confident66 Ų6676.1 Ų76.155%0.54539%0.386SS..Hα-helixtrans-69-37.9178.700000112.3S271 L276 R277S271-A273 PolarHBondContact O-N 3.37Å; S271-A273 PolarHBondContact OG-N 3.31Å; A273-L276 PolarHBondContact O-N 2.59Å; A273-R277 WeakPolarHBondContact O-CB 3.17Å; A273-R277 PolarHBondContact O-N 3.32Å
274D87.9Confident78.9Confident31 Ų3171.2 Ų71.217%0.16636%0.36CS..Hα-helixtrans-65.5-40.1174.3-173.940.8000111.1K270 S271 R277 R278K270-D274 HydrophobicContact CB-CB 4.43Å; K270-D274 PolarHBondContact N-OD2 3.42Å; S271-D274 PolarHBondContact O-N 3.16Å; S271-D274 VanDerWaalsContact O-N 3.13Å; S271-D274 PolarHBondContact OG-N 3.28Å; S271-D274 VanDerWaalsContact OG-N 3.12Å; D274-R277 PolarHBondContact O-N 3.5Å; D274-R278 VanDerWaalsContact CG-NE 3.33Å; D274-R278 WeakPolarHBondContact O-CB 3.27Å; D274-R278 VanDerWaalsContact O-CG 3.28Å; D274-R278 WeakPolarHBondContact O-CG 3.27Å; D274-R278 PolarHBondContact O-N 3.25Å; D274-R278 IonicContact OD1-CZ 3.41Å; D274-R278 IonicContact OD1-NE 3.14Å; D274-R278 PolarHBondContact OD1-NE 3.17Å; D274-R278 IonicContact OD1-NH2 3.22Å; D274-R278 IonicContact OD2-CZ 2.72Å; D274-R278 IonicContact OD2-NE 2.72Å; D274-R278 PolarHBondContact OD2-NE 2.9Å; D274-R278 VanDerWaalsContact OD2-NE 3.14Å; D274-R278 IonicContact OD2-NH2 3.88Å; D274-R278 PolarHBondContact OD2-NH2 3.28Å
275C88Confident81.3Confident0 Ų070.7 Ų70.70%035%0.352CS..Hα-helixtrans-59.5-48.2173.4-1790000112.3V245 M249 Y269 S271 T272 T279V245-C275 HydrophobicContact CG1-CB 4.17Å; M249-C275 HydrophobicContact CE-CB 3.61Å; Y269-C275 HydrophobicContact CD1-CB 3.71Å; Y269-C275 HydrophobicContact CD2-CB 4Å; Y269-C275 HydrophobicContact CE1-CB 4.17Å; Y269-C275 HydrophobicContact CG-CB 3.6Å; S271-C275 PolarHBondContact O-N 2.91Å; T272-C275 WeakPolarHBondContact O-CB 3.42Å; T272-C275 PolarHBondContact O-N 3.21Å; C275-T279 VanDerWaalsContact O-CB 3.27Å; C275-T279 WeakPolarHBondContact O-CB 3.3Å; C275-T279 PolarHBondContact O-N 3.05Å; C275-T279 PolarHBondContact O-OG1 3.07Å
276L90.4Very high83.2Confident74 Ų7474.9 Ų74.939%0.38737%0.37SS..Hα-helixtrans-59.1-51.5175.7-179.366.4000111.1V245 T272 A273 R278 T279 V280 L288V245-L276 HydrophobicContact CG2-CB 4.17Å; V245-L276 HydrophobicContact CG2-CD1 3.95Å; T272-L276 PolarHBondContact O-N 3.35Å; A273-L276 PolarHBondContact O-N 2.59Å; L276-R278 PolarHBondContact O-N 3.48Å; L276-T279 PolarHBondContact O-N 3.24Å; L276-V280 WeakPolarHBondContact O-CG2 3.39Å; L276-V280 PolarHBondContact O-N 3.47Å; L276-L288 HydrophobicContact CD1-CD1 3.81Å; L276-L288 HydrophobicContact CD1-CD2 3.66Å; L276-L288 HydrophobicContact CD1-CG 4.41Å
277R90.8Very high84.8Confident182 Ų18268.7 Ų68.769%0.68734%0.342SS*.Hα-helixtrans-60.7-45.3-177.8-175.6178.7-178.6178.51.3112.2A273 D274 R281A273-R277 WeakPolarHBondContact O-CB 3.17Å; A273-R277 PolarHBondContact O-N 3.32Å; D274-R277 PolarHBondContact O-N 3.5Å; R277-R281 VanDerWaalsContact O-CB 3.26Å; R277-R281 WeakPolarHBondContact O-CB 3.5Å; R277-R281 PolarHBondContact O-N 3Å
278R87.6Confident86.1Confident75 Ų7566.2 Ų66.228%0.28333%0.325SS..Hα-helixtrans-68.3-39179-72-175.6-169.3-152.84.8112.1Y268 Y269 D274 L276 R281 N282Y268-R278 VanDerWaalsContact O-CZ 3.25Å; Y268-R278 PolarHBondContact O-NH1 2.93Å; Y269-R278 HydrophobicContact CD1-CB 4.45Å; Y269-R278 HydrophobicContact CE1-CB 4.07Å; D274-R278 VanDerWaalsContact CG-NE 3.33Å; D274-R278 WeakPolarHBondContact O-CB 3.27Å; D274-R278 VanDerWaalsContact O-CG 3.28Å; D274-R278 WeakPolarHBondContact O-CG 3.27Å; D274-R278 PolarHBondContact O-N 3.25Å; D274-R278 IonicContact OD1-CZ 3.41Å; D274-R278 IonicContact OD1-NE 3.14Å; D274-R278 PolarHBondContact OD1-NE 3.17Å; D274-R278 IonicContact OD1-NH2 3.22Å; D274-R278 IonicContact OD2-CZ 2.72Å; D274-R278 IonicContact OD2-NE 2.72Å; D274-R278 PolarHBondContact OD2-NE 2.9Å; D274-R278 VanDerWaalsContact OD2-NE 3.14Å; D274-R278 IonicContact OD2-NH2 3.88Å; D274-R278 PolarHBondContact OD2-NH2 3.28Å; L276-R278 PolarHBondContact O-N 3.48Å; R278-R281 PolarHBondContact O-N 3.42Å; R278-N282 WeakPolarHBondContact O-CB 3.33Å; R278-N282 VanDerWaalsContact O-CG 3.32Å; R278-N282 PolarHBondContact O-N 2.94Å
279T88Confident87.3Confident0 Ų067 Ų670%033%0.328CS..Hα-helixtrans-59.1-49.2175.9-61.20000110.5R248 C275 L276 E283 A287 L288R248-T279 PolarHBondContact NH1-OG1 3.31Å; C275-T279 VanDerWaalsContact O-CB 3.27Å; C275-T279 WeakPolarHBondContact O-CB 3.3Å; C275-T279 PolarHBondContact O-N 3.05Å; C275-T279 PolarHBondContact O-OG1 3.07Å; L276-T279 PolarHBondContact O-N 3.24Å; T279-E283 WeakPolarHBondContact O-CB 3.47Å; T279-E283 PolarHBondContact O-N 3.17Å; T279-A287 HydrophobicContact CG2-CB 3.97Å; T279-L288 HydrophobicContact CG2-CD2 3.74Å
280V90.1Very high87.9Confident55 Ų5568.2 Ų68.233%0.33333%0.334SS..Hα-helixtrans-64.8-43.1178.1176.10000111.7L276 G284 L288L276-V280 WeakPolarHBondContact O-CG2 3.39Å; L276-V280 PolarHBondContact O-N 3.47Å; V280-G284 CarbonylContact O-C 3.56Å; V280-G284 WeakPolarHBondContact O-CA 3.47Å; V280-G284 PolarHBondContact O-N 3.35Å; V280-L288 HydrophobicContact CG2-CD1 3.64Å; V280-L288 HydrophobicContact CG2-CD2 4.42Å; V280-L288 HydrophobicContact CG2-CG 4.11Å
281R87.4Confident88.5Confident196 Ų19661.3 Ų61.374%0.7431%0.305SS*.Hα-helixtrans-67.9-41.3-178-176.6177.8180177.80.9113.3R277 R278R277-R281 VanDerWaalsContact O-CB 3.26Å; R277-R281 WeakPolarHBondContact O-CB 3.5Å; R277-R281 PolarHBondContact O-N 3Å; R278-R281 PolarHBondContact O-N 3.42Å
282N85.6Confident88.9Confident65 Ų6559.9 Ų59.935%0.34829%0.292SS..Hα-helixtrans-92.8-33.1-170.5-66-10.4000112.7L56 R278L56-N282 HydrophobicContact CD2-CB 4.16Å; R278-N282 WeakPolarHBondContact O-CB 3.33Å; R278-N282 VanDerWaalsContact O-CG 3.32Å; R278-N282 PolarHBondContact O-N 2.94Å
283E84.9Confident89.1Confident32 Ų3265.9 Ų65.915%0.1531%0.31CS..Hα-helixtrans-113.5-11.7-175.2-62.8179-129.900113.8R248 T279 A287 K290R248-E283 IonicContact CZ-OE1 3.21Å; R248-E283 IonicContact CZ-OE2 2.9Å; R248-E283 IonicContact NH1-OE1 3.1Å; R248-E283 PolarHBondContact NH1-OE1 2.98Å; R248-E283 IonicContact NH1-OE2 3.87Å; R248-E283 VanDerWaalsContact NH2-CD 3.25Å; R248-E283 IonicContact NH2-OE1 2.94Å; R248-E283 PolarHBondContact NH2-OE1 2.92Å; R248-E283 IonicContact NH2-OE2 2.74Å; R248-E283 PolarHBondContact NH2-OE2 3.26Å; T279-E283 WeakPolarHBondContact O-CB 3.47Å; T279-E283 PolarHBondContact O-N 3.17Å; E283-A287 HydrophobicContact CB-CB 3.48Å; E283-A287 VanDerWaalsContact CB-CB 3.48Å; E283-K290 IonicContact OE2-NZ 3.14Å; E283-K290 PolarHBondContact OE2-NZ 3.33Å
284G87.3Confident89.3Confident31 Ų3162.9 Ų62.932%0.3229%0.285SS..  trans88.9164.9-174.200000113.1V280 L286 A287V280-G284 CarbonylContact O-C 3.56Å; V280-G284 WeakPolarHBondContact O-CA 3.47Å; V280-G284 PolarHBondContact O-N 3.35Å; G284-L286 VanDerWaalsContact C-N 3.31Å; G284-L286 PolarHBondContact O-N 2.68Å; G284-A287 VanDerWaalsContact O-CB 3.25Å; G284-A287 WeakPolarHBondContact O-CB 3.44Å; G284-A287 PolarHBondContact O-N 2.89Å; G284-A287 VanDerWaalsContact O-N 3.13Å
285F89.5Confident89.4Confident124 Ų12461.6 Ų61.654%0.54428%0.279SS..G310 helixtrans-59.8-37.9-176.9-178.7-102.9000113.5A287 L288 Y289F285-A287 PolarHBondContact O-N 2.8Å; F285-A287 VanDerWaalsContact O-N 3.09Å; F285-L288 HydrophobicContact CD2-CD1 4.15Å; F285-L288 HydrophobicContact CE2-CD1 4.18Å; F285-L288 WeakPolarHBondContact O-CB 3.41Å; F285-L288 PolarHBondContact O-N 3.11Å; F285-Y289 HydrophobicContact CD1-CE2 4.42Å; F285-Y289 HydrophobicContact CE1-CD2 4.45Å; F285-Y289 AromaticContact CE1-CE2 3.69Å; F285-Y289 HydrophobicContact CE1-CE2 3.69Å; F285-Y289 AromaticContact CZ-CE2 3.91Å; F285-Y289 HydrophobicContact CZ-CE2 3.91Å
286L90.1Very high89.5Confident143 Ų14366.8 Ų66.875%0.74930%0.298SS*.G310 helixtrans-63.3-16.7179.4-64.9178000113.5G284 L288 Y289G284-L286 VanDerWaalsContact C-N 3.31Å; G284-L286 PolarHBondContact O-N 2.68Å; L286-L288 PolarHBondContact O-N 3.3Å; L286-Y289 PolarHBondContact O-N 3.44Å; L286-Y289 VanDerWaalsContact O-N 3.09Å
287A88.2Confident89.5Confident3 Ų365.6 Ų65.63%0.02530%0.299CS..G310 helixtrans-63.6-26.117400000112.8T279 E283 G284 F285 Y289 K290T279-A287 HydrophobicContact CG2-CB 3.97Å; E283-A287 HydrophobicContact CB-CB 3.48Å; E283-A287 VanDerWaalsContact CB-CB 3.48Å; G284-A287 VanDerWaalsContact O-CB 3.25Å; G284-A287 WeakPolarHBondContact O-CB 3.44Å; G284-A287 PolarHBondContact O-N 2.89Å; G284-A287 VanDerWaalsContact O-N 3.13Å; F285-A287 PolarHBondContact O-N 2.8Å; F285-A287 VanDerWaalsContact O-N 3.09Å; A287-Y289 PolarHBondContact O-N 3.27Å; A287-K290 HydrophobicContact CB-CD 4.41Å; A287-K290 WeakPolarHBondContact O-CB 3.44Å; A287-K290 WeakPolarHBondContact O-CG 3.48Å; A287-K290 PolarHBondContact O-N 3.23Å
288L91.6Very high89.5Confident7 Ų758.3 Ų58.34%0.03727%0.272CS..G310 helixtrans-70.5-9.7174.9-60.7179000113.7T240 P241 V244 L276 T279 V280 F285 L286T240-L288 CarbonylContact C-O 3.54Å; P241-L288 WeakPolarHBondContact CA-O 3.45Å; P241-L288 HydrophobicContact CB-CB 4.13Å; P241-L288 HydrophobicContact CG-CB 4.34Å; V244-L288 WeakPolarHBondContact CG2-O 3.23Å; L276-L288 HydrophobicContact CD1-CD1 3.81Å; L276-L288 HydrophobicContact CD1-CD2 3.66Å; L276-L288 HydrophobicContact CD1-CG 4.41Å; T279-L288 HydrophobicContact CG2-CD2 3.74Å; V280-L288 HydrophobicContact CG2-CD1 3.64Å; V280-L288 HydrophobicContact CG2-CD2 4.42Å; V280-L288 HydrophobicContact CG2-CG 4.11Å; F285-L288 HydrophobicContact CD2-CD1 4.15Å; F285-L288 HydrophobicContact CE2-CD1 4.18Å; F285-L288 WeakPolarHBondContact O-CB 3.41Å; F285-L288 PolarHBondContact O-N 3.11Å; L286-L288 PolarHBondContact O-N 3.3Å
289Y92.8Very high89.6Confident74 Ų7457.9 Ų57.929%0.2927%0.274SS..G310 helixtrans-109.412.6177.6-68.2-87.4000112.4L237 P241 F285 L286 A287 G291 F292L237-Y289 HydrophobicContact CD2-CE1 4.05Å; P241-Y289 HydrophobicContact CG-CE1 4.32Å; P241-Y289 HydrophobicContact CG-CE2 4.48Å; F285-Y289 HydrophobicContact CD1-CE2 4.42Å; F285-Y289 HydrophobicContact CE1-CD2 4.45Å; F285-Y289 AromaticContact CE1-CE2 3.69Å; F285-Y289 HydrophobicContact CE1-CE2 3.69Å; F285-Y289 AromaticContact CZ-CE2 3.91Å; F285-Y289 HydrophobicContact CZ-CE2 3.91Å; L286-Y289 PolarHBondContact O-N 3.44Å; L286-Y289 VanDerWaalsContact O-N 3.09Å; A287-Y289 PolarHBondContact O-N 3.27Å; Y289-G291 PolarHBondContact O-N 3.15Å; Y289-F292 WeakPolarHBondContact O-CB 3.29Å; Y289-F292 PolarHBondContact O-N 3.16Å; Y289-F292 VanDerWaalsContact O-N 3.09Å
290K89.7Confident89.6Confident32 Ų3261.2 Ų61.214%0.13930%0.301CS..THydrogen-bonded Turntrans-62.4128.7171.8-75.8174.2171.51790110.2Q49 Q51 E283 A287 F292Q49-K290 WeakPolarHBondContact CG-O 3.42Å; Q51-K290 PolarHBondContact O-NZ 3.33Å; E283-K290 IonicContact OE2-NZ 3.14Å; E283-K290 PolarHBondContact OE2-NZ 3.33Å; A287-K290 HydrophobicContact CB-CD 4.41Å; A287-K290 WeakPolarHBondContact O-CB 3.44Å; A287-K290 WeakPolarHBondContact O-CG 3.48Å; A287-K290 PolarHBondContact O-N 3.23Å; K290-F292 VanDerWaalsContact C-N 3.34Å
291G89.4Confident89.7Confident5 Ų561.3 Ų61.35%0.05230%0.303CS..THydrogen-bonded Turntrans84.82.8-176.100000114.7Y289 W293 P294 I295Y289-G291 PolarHBondContact O-N 3.15Å; G291-W293 PolarHBondContact O-N 3.18Å; G291-P294 WeakPolarHBondContact O-CD 3.37Å; G291-I295 WeakPolarHBondContact O-CB 3.46Å; G291-I295 WeakPolarHBondContact O-CD1 3.29Å; G291-I295 WeakPolarHBondContact O-CG1 3.36Å; G291-I295 PolarHBondContact O-N 2.96Å
292F92.2Very high90Very high25 Ų2555.2 Ų55.211%0.1128%0.28CS..Hα-helixtrans-53-50.9175.9173.2-98.5000112.5L233 A236 L237 T240 Y289 K290 I295 W296L233-F292 HydrophobicContact CD1-CE2 4.38Å; L233-F292 HydrophobicContact CD1-CZ 3.67Å; A236-F292 HydrophobicContact CB-CD2 4.35Å; A236-F292 HydrophobicContact CB-CE2 3.83Å; L237-F292 HydrophobicContact CD2-CD2 4.39Å; L237-F292 HydrophobicContact CD2-CE2 3.7Å; L237-F292 HydrophobicContact CD2-CZ 4.12Å; L237-F292 HydrophobicContact CG-CE2 4.01Å; L237-F292 HydrophobicContact CG-CZ 4.5Å; T240-F292 HydrophobicContact CG2-CB 4.24Å; Y289-F292 WeakPolarHBondContact O-CB 3.29Å; Y289-F292 PolarHBondContact O-N 3.16Å; Y289-F292 VanDerWaalsContact O-N 3.09Å; K290-F292 VanDerWaalsContact C-N 3.34Å; F292-I295 WeakPolarHBondContact O-CB 3.33Å; F292-I295 PolarHBondContact O-N 2.86Å; F292-I295 VanDerWaalsContact O-N 3.12Å; F292-W296 PolarHBondContact O-N 2.81Å
293W91.6Very high90.2Very high163 Ų16354.5 Ų54.562%0.61728%0.28SS*.Hα-helixtrans-60.2-50.2-178.4-68.5117.4000113G291 I295 W296 A297G291-W293 PolarHBondContact O-N 3.18Å; W293-I295 VanDerWaalsContact C-N 3.32Å; W293-I295 PolarHBondContact O-N 3.28Å; W293-W296 AromaticContact CE3-CE3 3.98Å; W293-W296 HydrophobicContact CE3-CE3 3.98Å; W293-W296 HydrophobicContact CE3-CZ3 4.37Å; W293-W296 AromaticContact CZ3-CE3 3.86Å; W293-W296 HydrophobicContact CZ3-CE3 3.86Å; W293-W296 AromaticContact CZ3-CZ3 3.89Å; W293-W296 HydrophobicContact CZ3-CZ3 3.89Å; W293-W296 PolarHBondContact O-N 2.93Å; W293-A297 WeakPolarHBondContact O-CB 3.28Å; W293-A297 PolarHBondContact O-N 3.17Å
294P91.7Very high90.5Very high3 Ų358.5 Ų58.52%0.01930%0.302CS..Hα-helixtrans-58.5-38.3171.3-2834.5000114.3L44 K45 L48 T64 G291 R298L44-P294 HydrophobicContact CD2-CG 4.1Å; L44-P294 HydrophobicContact CG-CG 4.11Å; K45-P294 HydrophobicContact CB-CB 3.92Å; L48-P294 HydrophobicContact CD1-CG 3.84Å; T64-P294 HydrophobicContact CG2-CG 3.69Å; G291-P294 WeakPolarHBondContact O-CD 3.37Å; P294-R298 WeakPolarHBondContact O-CB 3.45Å; P294-R298 PolarHBondContact O-N 3.44Å
295I91.2Very high90.8Very high5 Ų558.6 Ų58.63%0.02630%0.296CS..Hα-helixtrans-61.3-51.2178.1-72.3163.8000110.3K45 A236 T240 G291 F292 W293 R298 M299K45-I295 HydrophobicContact CB-CG1 4.25Å; K45-I295 HydrophobicContact CD-CG1 3.85Å; K45-I295 HydrophobicContact CG-CG1 4.46Å; A236-I295 HydrophobicContact CB-CG2 4.36Å; T240-I295 HydrophobicContact CG2-CD1 4Å; G291-I295 WeakPolarHBondContact O-CB 3.46Å; G291-I295 WeakPolarHBondContact O-CD1 3.29Å; G291-I295 WeakPolarHBondContact O-CG1 3.36Å; G291-I295 PolarHBondContact O-N 2.96Å; F292-I295 WeakPolarHBondContact O-CB 3.33Å; F292-I295 PolarHBondContact O-N 2.86Å; F292-I295 VanDerWaalsContact O-N 3.12Å; W293-I295 VanDerWaalsContact C-N 3.32Å; W293-I295 PolarHBondContact O-N 3.28Å; I295-R298 PolarHBondContact O-N 2.86Å; I295-M299 HydrophobicContact CG2-CE 4.21Å
296W89.3Confident91Very high108 Ų10854.2 Ų54.241%0.40928%0.277SS..Hα-helixtrans-68-46.4-178.4-175.465.2000111.8F292 W293 R298 M299F292-W296 PolarHBondContact O-N 2.81Å; W293-W296 AromaticContact CE3-CE3 3.98Å; W293-W296 HydrophobicContact CE3-CE3 3.98Å; W293-W296 HydrophobicContact CE3-CZ3 4.37Å; W293-W296 AromaticContact CZ3-CE3 3.86Å; W293-W296 HydrophobicContact CZ3-CE3 3.86Å; W293-W296 AromaticContact CZ3-CZ3 3.89Å; W293-W296 HydrophobicContact CZ3-CZ3 3.89Å; W293-W296 PolarHBondContact O-N 2.93Å; W296-R298 PolarHBondContact O-N 3.15Å; W296-R298 VanDerWaalsContact O-N 3.14Å; W296-M299 WeakPolarHBondContact O-CB 3.44Å; W296-M299 PolarHBondContact O-N 3.42Å
297A90.8Very high91.1Very high49 Ų4953.1 Ų53.141%0.40526%0.263SS..Hα-helixtrans-61-24.2176.800000113.2W293 P301W293-A297 WeakPolarHBondContact O-CB 3.28Å; W293-A297 PolarHBondContact O-N 3.17Å; A297-P301 WeakPolarHBondContact O-CD 3.36Å; A297-P301 WeakPolarHBondContact O-CG 3.48Å
298R92Very high91.3Very high30 Ų3056.5 Ų56.511%0.11328%0.283CS..Hα-helixtrans-77.2-25.9177.1-164179.874.1102.67.3113.2E35 L41 P294 I295 W296 W302E35-R298 IonicContact OE2-NH1 3.45Å; E35-R298 PolarHBondContact OE2-NH1 2.93Å; L41-R298 HydrophobicContact CB-CB 4.12Å; L41-R298 HydrophobicContact CB-CG 4.12Å; L41-R298 HydrophobicContact CD1-CB 3.84Å; L41-R298 HydrophobicContact CD1-CG 4.09Å; P294-R298 WeakPolarHBondContact O-CB 3.45Å; P294-R298 PolarHBondContact O-N 3.44Å; I295-R298 PolarHBondContact O-N 2.86Å; W296-R298 PolarHBondContact O-N 3.15Å; W296-R298 VanDerWaalsContact O-N 3.14Å; R298-W302 HydrophobicContact CG-CB 4.45Å; R298-W302 WeakPolarHBondContact O-CB 3.21Å; R298-W302 PolarHBondContact O-N 3.47Å
299M88Confident91.2Very high65 Ų6557 Ų5732%0.3229%0.288SS..Hα-helixtrans-59.3-54.2-171.2-67-61.6-166.100112.6I295 W296 S303I295-M299 HydrophobicContact CG2-CE 4.21Å; W296-M299 WeakPolarHBondContact O-CB 3.44Å; W296-M299 PolarHBondContact O-N 3.42Å; M299-S303 WeakPolarHBondContact O-CB 3.42Å; M299-S303 PolarHBondContact O-N 3.39Å
300A88.3Confident91Very high71 Ų7154.6 Ų54.659%0.58728%0.278SS*.Hα-helixtrans-67.2-50-176.500000112.9W302 S303 L304A300-W302 VanDerWaalsContact C-N 3.31Å; A300-W302 PolarHBondContact O-N 2.82Å; A300-S303 PolarHBondContact O-N 3.39Å; A300-L304 WeakPolarHBondContact O-CB 3.39Å; A300-L304 PolarHBondContact O-N 3.21Å
301P92.8Very high91Very high56 Ų5658 Ų5836%0.36429%0.294SS..Hα-helixtrans-60.7-38.1176.7-24.935.4000113.2T38 A297 T305T38-P301 HydrophobicContact CG2-CB 3.92Å; A297-P301 WeakPolarHBondContact O-CD 3.36Å; A297-P301 WeakPolarHBondContact O-CG 3.48Å; P301-T305 VanDerWaalsContact O-CB 3.3Å; P301-T305 WeakPolarHBondContact O-CB 3.38Å; P301-T305 PolarHBondContact O-N 3.37Å; P301-T305 PolarHBondContact O-OG1 2.98Å
302W93.3Very high90.9Very high69 Ų6965.4 Ų65.426%0.26132%0.321SS..Hα-helixtrans-66.2-47.2178.4-176.495000110.7A34 E35 T38 R298 A300 T305 F306A34-W302 HydrophobicContact CB-CD2 4.44Å; A34-W302 HydrophobicContact CB-CG 4.32Å; E35-W302 PolarHBondContact OE2-NE1 3.41Å; T38-W302 HydrophobicContact CG2-CB 4.05Å; R298-W302 HydrophobicContact CG-CB 4.45Å; R298-W302 WeakPolarHBondContact O-CB 3.21Å; R298-W302 PolarHBondContact O-N 3.47Å; A300-W302 VanDerWaalsContact C-N 3.31Å; A300-W302 PolarHBondContact O-N 2.82Å; W302-T305 PolarHBondContact O-N 3.24Å; W302-F306 HydrophobicContact CH2-CD2 4.37Å; W302-F306 HydrophobicContact CH2-CG 4.4Å; W302-F306 HydrophobicContact CZ3-CB 4.39Å; W302-F306 VanDerWaalsContact O-CB 3.31Å; W302-F306 WeakPolarHBondContact O-CB 3.48Å; W302-F306 PolarHBondContact O-N 3.2Å
303S90.6Very high90.6Very high49 Ų4966.2 Ų66.234%0.34333%0.326SS..Hα-helixtrans-62.7-45.9179.3-175.10000111.8M299 A300 F306 W307M299-S303 WeakPolarHBondContact O-CB 3.42Å; M299-S303 PolarHBondContact O-N 3.39Å; A300-S303 PolarHBondContact O-N 3.39Å; S303-F306 PolarHBondContact O-N 3.29Å; S303-W307 PolarHBondContact O-N 2.92Å
304L91.5Very high90.1Very high116 Ų11659.8 Ų59.861%0.60730%0.301SS*.Hα-helixtrans-61.5-47.7178-177.4143.1000111.4A300 F306 W307 V308A300-L304 WeakPolarHBondContact O-CB 3.39Å; A300-L304 PolarHBondContact O-N 3.21Å; L304-F306 VanDerWaalsContact C-N 3.29Å; L304-F306 PolarHBondContact O-N 3.26Å; L304-W307 PolarHBondContact O-N 3.33Å; L304-V308 HydrophobicContact CD2-CG2 4.28Å; L304-V308 HydrophobicContact CG-CG2 4.38Å; L304-V308 WeakPolarHBondContact O-CB 3.33Å; L304-V308 VanDerWaalsContact O-CG2 3.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.18Å; L304-V308 PolarHBondContact O-N 2.82Å
305T93.4Very high89.7Confident33 Ų3368.6 Ų68.620%0.20233%0.334CS..Hα-helixtrans-63.3-39179.5-52.70000111.1V33 A34 A37 P301 W302 S309V33-T305 HydrophobicContact CG1-CG2 4.08Å; A34-T305 HydrophobicContact CB-CG2 4.13Å; A37-T305 HydrophobicContact CB-CG2 4.13Å; P301-T305 VanDerWaalsContact O-CB 3.3Å; P301-T305 WeakPolarHBondContact O-CB 3.38Å; P301-T305 PolarHBondContact O-N 3.37Å; P301-T305 PolarHBondContact O-OG1 2.98Å; W302-T305 PolarHBondContact O-N 3.24Å; T305-S309 WeakPolarHBondContact O-CB 3.45Å; T305-S309 PolarHBondContact O-N 3.38Å; T305-S309 PolarHBondContact O-OG 3.16Å
306F93.2Very high89.2Confident32 Ų3274.5 Ų74.514%0.1437%0.365CS..Hα-helixtrans-60.7-54.1176.6173.7-95.4000111.1A30 A31 A34 W302 S303 L304 S309 Y310A30-F306 HydrophobicContact CB-CD2 4Å; A30-F306 HydrophobicContact CB-CE2 3.98Å; A31-F306 HydrophobicContact CB-CD2 4.09Å; A31-F306 HydrophobicContact CB-CE2 4.07Å; A34-F306 HydrophobicContact CB-CB 3.86Å; W302-F306 HydrophobicContact CH2-CD2 4.37Å; W302-F306 HydrophobicContact CH2-CG 4.4Å; W302-F306 HydrophobicContact CZ3-CB 4.39Å; W302-F306 VanDerWaalsContact O-CB 3.31Å; W302-F306 WeakPolarHBondContact O-CB 3.48Å; W302-F306 PolarHBondContact O-N 3.2Å; S303-F306 PolarHBondContact O-N 3.29Å; L304-F306 VanDerWaalsContact C-N 3.29Å; L304-F306 PolarHBondContact O-N 3.26Å; F306-S309 PolarHBondContact O-N 2.82Å; F306-Y310 WeakPolarHBondContact O-CB 3.41Å; F306-Y310 PolarHBondContact O-N 3.39Å
307W91.6Very high88.7Confident121 Ų12172.1 Ų72.146%0.45836%0.363SS..Hα-helixtrans-65.4-45-176.7-75.5118.7000112.5S303 L304 S309 Y310 E311S303-W307 PolarHBondContact O-N 2.92Å; L304-W307 PolarHBondContact O-N 3.33Å; W307-S309 VanDerWaalsContact C-N 3.34Å; W307-S309 PolarHBondContact O-N 3.33Å; W307-Y310 HydrophobicContact CE3-CD1 4.35Å; W307-Y310 HydrophobicContact CZ3-CD1 4.24Å; W307-Y310 PolarHBondContact O-N 3.09Å; W307-E311 WeakPolarHBondContact O-CG 3.09Å; W307-E311 PolarHBondContact O-N 3.37Å
308V92.5Very high87.9Confident73 Ų7371.8 Ų71.844%0.44236%0.364SS..Hα-helixtrans-60.7-44.7176.2172.10000110.9L304 Y310 R312L304-V308 HydrophobicContact CD2-CG2 4.28Å; L304-V308 HydrophobicContact CG-CG2 4.38Å; L304-V308 WeakPolarHBondContact O-CB 3.33Å; L304-V308 VanDerWaalsContact O-CG2 3.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.18Å; L304-V308 PolarHBondContact O-N 2.82Å; V308-Y310 VanDerWaalsContact C-N 3.34Å; V308-R312 HydrophobicContact CG1-CG 4.44Å; V308-R312 WeakPolarHBondContact O-CB 3.27Å; V308-R312 WeakPolarHBondContact O-CG 3.42Å; V308-R312 PolarHBondContact O-N 3.28Å
309S90.6Very high86.8Confident19 Ų1971 Ų7113%0.13336%0.364CS..Hα-helixtrans-64.6-42.2177.7-58.80000111V33 T305 F306 W307 R312 I313V33-S309 WeakPolarHBondContact CG1-OG 3.21Å; T305-S309 WeakPolarHBondContact O-CB 3.45Å; T305-S309 PolarHBondContact O-N 3.38Å; T305-S309 PolarHBondContact O-OG 3.16Å; F306-S309 PolarHBondContact O-N 2.82Å; W307-S309 VanDerWaalsContact C-N 3.34Å; W307-S309 PolarHBondContact O-N 3.33Å; S309-R312 PolarHBondContact O-N 2.78Å; S309-I313 VanDerWaalsContact O-CD1 3.28Å; S309-I313 WeakPolarHBondContact O-CD1 3.3Å; S309-I313 WeakPolarHBondContact O-CG1 3.11Å; S309-I313 PolarHBondContact O-N 3.19Å
310Y88.2Confident85.8Confident23 Ų2370.8 Ų70.89%0.0937%0.369CS..Hα-helixtrans-62.7-46.5-179.9-170-107.4000112.1L26 A30 F306 W307 V308 I313 R314L26-Y310 HydrophobicContact CB-CE2 4.15Å; L26-Y310 HydrophobicContact CD2-CD2 4.36Å; L26-Y310 HydrophobicContact CD2-CE2 3.84Å; L26-Y310 HydrophobicContact CG-CD2 3.89Å; L26-Y310 HydrophobicContact CG-CE2 3.63Å; A30-Y310 HydrophobicContact CB-CD2 4.03Å; A30-Y310 HydrophobicContact CB-CG 4.47Å; F306-Y310 WeakPolarHBondContact O-CB 3.41Å; F306-Y310 PolarHBondContact O-N 3.39Å; W307-Y310 HydrophobicContact CE3-CD1 4.35Å; W307-Y310 HydrophobicContact CZ3-CD1 4.24Å; W307-Y310 PolarHBondContact O-N 3.09Å; V308-Y310 VanDerWaalsContact C-N 3.34Å; Y310-I313 PolarHBondContact O-N 2.78Å; Y310-R314 HydrophobicContact CE1-CG 4.34Å; Y310-R314 VanDerWaalsContact CE1-NE 3.29Å; Y310-R314 WeakPolarHBondContact O-CB 3.15Å; Y310-R314 WeakPolarHBondContact O-CG 3.26Å; Y310-R314 PolarHBondContact O-N 3.1Å; Y310-R314 VanDerWaalsContact OH-CZ 3.31Å; Y310-R314 PolarHBondContact OH-NE 2.87Å; Y310-R314 PolarHBondContact OH-NH2 3.23Å
311E88.9Confident84.5Confident103 Ų10372.2 Ų72.248%0.48138%0.375SS..Hα-helixtrans-63.2-44.2176-75.4-177.6179.800112.3W307 I313 R314 W315W307-E311 WeakPolarHBondContact O-CG 3.09Å; W307-E311 PolarHBondContact O-N 3.37Å; E311-I313 PolarHBondContact O-N 3.29Å; E311-R314 WeakPolarHBondContact O-CB 3.5Å; E311-R314 PolarHBondContact O-N 3.25Å; E311-W315 WeakPolarHBondContact O-CB 3.38Å; E311-W315 PolarHBondContact O-N 3.24Å
312R88Confident82.6Confident161 Ų16179.6 Ų79.661%0.60840%0.401SS*.Hα-helixtrans-63.1-43.7179.1-72.2-66.2-179.7-173.7-1.4112V308 S309 W315 L316V308-R312 HydrophobicContact CG1-CG 4.44Å; V308-R312 WeakPolarHBondContact O-CB 3.27Å; V308-R312 WeakPolarHBondContact O-CG 3.42Å; V308-R312 PolarHBondContact O-N 3.28Å; S309-R312 PolarHBondContact O-N 2.78Å; R312-W315 PolarHBondContact O-N 2.97Å; R312-L316 WeakPolarHBondContact O-CG 3.34Å; R312-L316 PolarHBondContact O-N 2.82Å; R312-L316 VanDerWaalsContact O-N 3.09Å
313I84.9Confident82Confident42 Ų4280.1 Ų80.122%0.21541%0.408CS..Hα-helixtrans-72.1-35179.2-51.6155.3000110.2L26 V29 A30 S309 Y310 E311 W315 L316 T317L26-I313 HydrophobicContact CD1-CB 3.25Å; L26-I313 HydrophobicContact CD1-CD1 4.28Å; L26-I313 HydrophobicContact CD1-CG1 4.38Å; L26-I313 HydrophobicContact CD1-CG2 2.99Å; L26-I313 HydrophobicContact CG-CG2 4.49Å; V29-I313 HydrophobicContact CB-CD1 4.24Å; V29-I313 HydrophobicContact CG1-CD1 3.69Å; A30-I313 HydrophobicContact CB-CD1 4.4Å; S309-I313 VanDerWaalsContact O-CD1 3.28Å; S309-I313 WeakPolarHBondContact O-CD1 3.3Å; S309-I313 WeakPolarHBondContact O-CG1 3.11Å; S309-I313 PolarHBondContact O-N 3.19Å; Y310-I313 PolarHBondContact O-N 2.78Å; E311-I313 PolarHBondContact O-N 3.29Å; I313-W315 PolarHBondContact O-N 3.14Å; I313-L316 PolarHBondContact O-N 2.91Å; I313-T317 WeakPolarHBondContact O-CG2 3.19Å; I313-T317 PolarHBondContact O-N 3.45Å; I313-T317 PolarHBondContact O-OG1 3Å
314R81.6Confident81.6Confident28 Ų2881.7 Ų81.711%0.10641%0.412CS..Hα-helixtrans-56.1-50.2171.2-88.4-165.2167167.7-0.7112L26 Y310 E311 L316 T317 G318 A319 F322L26-R314 HydrophobicContact CD2-CB 4.34Å; L26-R314 HydrophobicContact CD2-CG 3.32Å; L26-R314 HydrophobicContact CG-CG 4.48Å; Y310-R314 HydrophobicContact CE1-CG 4.34Å; Y310-R314 VanDerWaalsContact CE1-NE 3.29Å; Y310-R314 WeakPolarHBondContact O-CB 3.15Å; Y310-R314 WeakPolarHBondContact O-CG 3.26Å; Y310-R314 PolarHBondContact O-N 3.1Å; Y310-R314 VanDerWaalsContact OH-CZ 3.31Å; Y310-R314 PolarHBondContact OH-NE 2.87Å; Y310-R314 PolarHBondContact OH-NH2 3.23Å; E311-R314 WeakPolarHBondContact O-CB 3.5Å; E311-R314 PolarHBondContact O-N 3.25Å; R314-L316 VanDerWaalsContact C-N 3.29Å; R314-L316 PolarHBondContact O-N 2.89Å; R314-T317 WeakPolarHBondContact CA-OG1 3.26Å; R314-T317 CarbonylContact O-C 3.56Å; R314-T317 PolarHBondContact O-N 3.17Å; R314-T317 PolarHBondContact O-OG1 3.49Å; R314-G318 PolarHBondContact O-N 3.12Å; R314-G318 VanDerWaalsContact O-N 3.14Å; R314-A319 HydrophobicContact CB-CB 4.15Å; R314-A319 HydrophobicContact CG-CB 4.11Å; R314-A319 PolarHBondContact O-N 3.36Å; R314-F322 VanDerWaalsContact NH1-CD2 3.33Å
315W82.9Confident81Confident187 Ų18779.8 Ų79.871%0.70840%0.401SS*.Hα-helixtrans-57.8-42.8177.9-178.672000111.8E311 R312 I313 T317 G318E311-W315 WeakPolarHBondContact O-CB 3.38Å; E311-W315 PolarHBondContact O-N 3.24Å; R312-W315 PolarHBondContact O-N 2.97Å; I313-W315 PolarHBondContact O-N 3.14Å; W315-T317 VanDerWaalsContact C-N 3.31Å; W315-T317 PolarHBondContact O-N 2.95Å; W315-G318 PolarHBondContact O-N 2.73Å; W315-G318 VanDerWaalsContact O-N 3.16Å
316L80.7Confident80.3Confident129 Ų12982.6 Ų82.668%0.67541%0.413SS*.Hα-helixtrans-64.1-32.4175.4-70.4172.5000113.4R312 I313 R314 G318R312-L316 WeakPolarHBondContact O-CG 3.34Å; R312-L316 PolarHBondContact O-N 2.82Å; R312-L316 VanDerWaalsContact O-N 3.09Å; I313-L316 PolarHBondContact O-N 2.91Å; R314-L316 VanDerWaalsContact C-N 3.29Å; R314-L316 PolarHBondContact O-N 2.89Å; L316-G318 VanDerWaalsContact C-N 3.31Å
317T78.9Confident79.5Confident59 Ų5985.8 Ų85.836%0.36243%0.43SS..THydrogen-bonded Turntrans-83-2.5176.2560000114.3I313 R314 W315 A319I313-T317 WeakPolarHBondContact O-CG2 3.19Å; I313-T317 PolarHBondContact O-N 3.45Å; I313-T317 PolarHBondContact O-OG1 3Å; R314-T317 WeakPolarHBondContact CA-OG1 3.26Å; R314-T317 CarbonylContact O-C 3.56Å; R314-T317 PolarHBondContact O-N 3.17Å; R314-T317 PolarHBondContact O-OG1 3.49Å; W315-T317 VanDerWaalsContact C-N 3.31Å; W315-T317 PolarHBondContact O-N 2.95Å; T317-A319 VanDerWaalsContact C-N 3.25Å; T317-A319 PolarHBondContact O-N 3.01Å
318G74.7Confident78.7Confident42 Ų4283.4 Ų83.443%0.43343%0.428SS..THydrogen-bonded Turntrans73.512.5-175.500000114.5R314 W315 L316R314-G318 PolarHBondContact O-N 3.12Å; R314-G318 VanDerWaalsContact O-N 3.14Å; W315-G318 PolarHBondContact O-N 2.73Å; W315-G318 VanDerWaalsContact O-N 3.16Å; L316-G318 VanDerWaalsContact C-N 3.31Å
319A69.4Low77.7Confident13 Ų1384.1 Ų84.111%0.10743%0.427CS..PPolyproline II helixtrans-73.5148.2171.800000110.2A17 R314 T317A17-A319 HydrophobicContact CB-CB 4.18Å; R314-A319 HydrophobicContact CB-CB 4.15Å; R314-A319 HydrophobicContact CG-CB 4.11Å; R314-A319 PolarHBondContact O-N 3.36Å; T317-A319 VanDerWaalsContact C-N 3.25Å; T317-A319 PolarHBondContact O-N 3.01Å
320S65.8Low76.7Confident60 Ų6089.2 Ų89.242%0.4245%0.449SS..PPolyproline II helixtrans-59.1144.2173.342.50000111.3
321S60.9Low75.7Confident102 Ų10294.7 Ų94.771%0.71348%0.479SS*.PPolyproline II helixtrans-61.7150.3165.4600000109.2
322F52.3Low74.6Confident210 Ų21093.9 Ų93.992%0.92148%0.479SS*.  trans-71.10172.4-147.9-106.3000110.7R314R314-F322 VanDerWaalsContact NH1-CD2 3.33Å

Retrieved 322 of 322 residues in 460.4 ms (Link to these results)

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