A0A087XJT3_POEFO Loading...

Membrane integral NOTCH2 associated receptor 1

AlphaFold DB , UniProt , Accession A0A087XJT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 803 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
1M39.5Very low52.9Low221 Ų221119.5 Ų119.5100%1.08963%0.632SS**  0-18.60-76.9-55.2-167.300113
2A36.8Very low55.3Low78 Ų78110.4 Ų110.465%0.64559%0.585SS**  trans-93.8-33.2179.500000113.7L4 Q5A2-L4 PolarHBondContact O-N 3.2Å; A2-Q5 PolarHBondContact O-N 2.88Å
3D33.3Very low57.4Low120 Ų120110.9 Ų110.964%0.64259%0.587SS**THydrogen-bonded Turntrans-66.8-31.5-165.7-45.8-84.3000114.2Q5 Q6D3-Q5 PolarHBondContact O-N 3.49Å; D3-Q6 PolarHBondContact O-N 3.3Å
4L43.1Very low59Low131 Ų131105.2 Ų105.269%0.68657%0.568SS**Hα-helixtrans-60.9-16.7-177.3-74.8170.1000114.4A2A2-L4 PolarHBondContact O-N 3.2Å
5Q42.3Very low60.5Low171 Ų17198.2 Ų98.280%0.79953%0.53SS*.Hα-helixtrans-83.2-13.7175.4-64.9-156.9-98.200114A2 D3 P9A2-Q5 PolarHBondContact O-N 2.88Å; D3-Q5 PolarHBondContact O-N 3.49Å; Q5-P9 WeakPolarHBondContact O-CD 3.19Å
6Q44.9Very low62.1Low159 Ų15994.3 Ų94.374%0.74351%0.508SS*.Hα-helixtrans-101.4-24.5-175.7-164.5161.4-4.200113.4D3 P9D3-Q6 PolarHBondContact O-N 3.3Å; Q6-P9 WeakPolarHBondContact O-CG 3.48Å
7E55.7Low63.6Low129 Ų12996.1 Ų96.160%0.60351%0.513SS*.Hα-helixtrans-77.8-35.1171.2-63-177.7139.400112.4V10 V11E7-V10 WeakPolarHBondContact O-CA 3.36Å; E7-V10 WeakPolarHBondContact O-CB 3.4Å; E7-V10 PolarHBondContact O-N 3.05Å; E7-V11 PolarHBondContact O-N 3.42Å; E7-V11 VanDerWaalsContact O-N 3.16Å
8Y61.4Low64.7Low60 Ų6094.2 Ų94.224%0.23550%0.5CS..Hα-helixtrans-51.7-48.9-178.7-161-87.4000114.8V10 V11 L12 H43 E46Y8-V10 PolarHBondContact O-N 3.26Å; Y8-V11 PolarHBondContact O-N 3.47Å; Y8-L12 HydrophobicContact CE1-CD1 4.27Å; Y8-L12 WeakPolarHBondContact O-CB 3.23Å; Y8-L12 PolarHBondContact O-N 3.4Å; Y8-H43 AromaticContact CD2-NE2 3.98Å; Y8-H43 AromaticContact CE2-CD2 3.32Å; Y8-H43 WeakPolarHBondContact CE2-CD2 3.37Å; Y8-H43 AromaticContact CE2-NE2 3.44Å; Y8-H43 WeakPolarHBondContact CE2-NE2 3.49Å; Y8-H43 AromaticContact CZ-CD2 3.58Å; Y8-E46 HydrophobicContact CE1-CB 4.28Å; Y8-E46 HydrophobicContact CE1-CG 4Å; Y8-E46 WeakPolarHBondContact CE1-OE1 3.34Å; Y8-E46 WeakPolarHBondContact OH-CB 3.39Å
9P72.1Confident65.8Low71 Ų7189.3 Ų89.346%0.46147%0.474SS..Hα-helixtrans-66-22.5176.227-36.3000113.8Q5 Q6 L13Q5-P9 WeakPolarHBondContact O-CD 3.19Å; Q6-P9 WeakPolarHBondContact O-CG 3.48Å; P9-L13 WeakPolarHBondContact O-CB 3.33Å; P9-L13 PolarHBondContact O-N 3.49Å
10V75.8Confident66.8Low104 Ų10486.6 Ų86.663%0.6347%0.465SS*.Hα-helixtrans-73.2-44176.2-174.80000110.3E7 Y8 L12 L13 G14E7-V10 WeakPolarHBondContact O-CA 3.36Å; E7-V10 WeakPolarHBondContact O-CB 3.4Å; E7-V10 PolarHBondContact O-N 3.05Å; Y8-V10 PolarHBondContact O-N 3.26Å; V10-L12 VanDerWaalsContact C-N 3.29Å; V10-L12 PolarHBondContact O-N 2.86Å; V10-L13 PolarHBondContact O-N 2.88Å; V10-G14 PolarHBondContact O-N 3.09Å
11V76.9Confident67.8Low70 Ų7087.2 Ų87.242%0.42447%0.468SS..Hα-helixtrans-58-45.8171179.40000110.1E7 Y8 L13 G14 I15E7-V11 PolarHBondContact O-N 3.42Å; E7-V11 VanDerWaalsContact O-N 3.16Å; Y8-V11 PolarHBondContact O-N 3.47Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.34Å; V11-G14 PolarHBondContact O-N 2.84Å; V11-I15 WeakPolarHBondContact O-CG1 3.31Å; V11-I15 PolarHBondContact O-N 2.98Å
12L81.7Confident69.9Low11 Ų1179.9 Ų79.96%0.05843%0.432CS..Hα-helixtrans-62.5-38.6-178.6-147.168.3000113.2Y8 V10 L47 L50Y8-L12 HydrophobicContact CE1-CD1 4.27Å; Y8-L12 WeakPolarHBondContact O-CB 3.23Å; Y8-L12 PolarHBondContact O-N 3.4Å; V10-L12 VanDerWaalsContact C-N 3.29Å; V10-L12 PolarHBondContact O-N 2.86Å; L12-L47 HydrophobicContact CD1-CB 3.65Å; L12-L47 HydrophobicContact CD1-CD1 4.37Å; L12-L47 HydrophobicContact CG-CB 4.23Å; L12-L47 HydrophobicContact CG-CD1 4.04Å; L12-L50 HydrophobicContact CD2-CB 4.49Å; L12-L50 HydrophobicContact CD2-CD2 3.49Å; L12-L50 VanDerWaalsContact CD2-CD2 3.49Å
13L82.3Confident72.1Confident117 Ų11780.1 Ų80.161%0.61342%0.417SS*.Hα-helixtrans-73.1-38.4175.5-171.363.7000111.7P9 V10 V11 I15 L16 E17P9-L13 WeakPolarHBondContact O-CB 3.33Å; P9-L13 PolarHBondContact O-N 3.49Å; V10-L13 PolarHBondContact O-N 2.88Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.34Å; L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 2.87Å; L13-L16 WeakPolarHBondContact O-CA 3.5Å; L13-L16 WeakPolarHBondContact O-CB 3.28Å; L13-L16 PolarHBondContact O-N 3.21Å; L13-E17 PolarHBondContact O-N 3.44Å
14G80.9Confident74.4Confident31 Ų3182.4 Ų82.432%0.3242%0.424SS..Hα-helixtrans-61.1-36.3174.700000113.3V10 V11 L16 E17 E18V10-G14 PolarHBondContact O-N 3.09Å; V11-G14 PolarHBondContact O-N 2.84Å; G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 2.86Å; G14-E17 PolarHBondContact O-N 3.38Å; G14-E18 PolarHBondContact O-N 3.01Å
15I81.5Confident76.4Confident0 Ų086 Ų860%043%0.428CS..Hα-helixtrans-59.8-42.7171.6-62.5165.1000110.7V11 L13 L19 F39 H43 L47V11-I15 WeakPolarHBondContact O-CG1 3.31Å; V11-I15 PolarHBondContact O-N 2.98Å; L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 2.87Å; I15-L19 WeakPolarHBondContact O-CB 3.34Å; I15-L19 PolarHBondContact O-N 2.93Å; I15-F39 HydrophobicContact CB-CD2 4.43Å; I15-F39 HydrophobicContact CB-CE2 4.18Å; I15-F39 HydrophobicContact CB-CZ 4.26Å; I15-F39 HydrophobicContact CD1-CB 4.24Å; I15-F39 HydrophobicContact CD1-CD1 4.06Å; I15-F39 HydrophobicContact CD1-CD2 4.35Å; I15-F39 HydrophobicContact CD1-CG 3.95Å; I15-F39 HydrophobicContact CG1-CD1 3.64Å; I15-F39 HydrophobicContact CG1-CD2 3.89Å; I15-F39 HydrophobicContact CG1-CE1 3.65Å; I15-F39 HydrophobicContact CG1-CE2 3.91Å; I15-F39 HydrophobicContact CG1-CG 3.76Å; I15-F39 HydrophobicContact CG1-CZ 3.78Å; I15-F39 HydrophobicContact CG2-CD2 3.8Å; I15-F39 HydrophobicContact CG2-CE2 3.69Å; I15-F39 HydrophobicContact CG2-CG 4.47Å; I15-F39 HydrophobicContact CG2-CZ 4.27Å; I15-H43 HydrophobicContact CD1-CB 4.34Å; I15-L47 HydrophobicContact CB-CD2 3.94Å; I15-L47 HydrophobicContact CD1-CD2 4.35Å; I15-L47 HydrophobicContact CG2-CD2 3.34Å
16L84.8Confident78.5Confident36 Ų3680.7 Ų80.719%0.18841%0.405CS..Hα-helixtrans-69.6-35.6178.5-71.4175.3000112.5L13 G14 A20 L47 L51 F90L13-L16 WeakPolarHBondContact O-CA 3.5Å; L13-L16 WeakPolarHBondContact O-CB 3.28Å; L13-L16 PolarHBondContact O-N 3.21Å; G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 2.86Å; L16-A20 WeakPolarHBondContact O-CB 3.34Å; L16-A20 PolarHBondContact O-N 3.28Å; L16-L47 HydrophobicContact CD1-CD1 3.94Å; L16-L47 HydrophobicContact CD2-CD1 3.95Å; L16-L47 HydrophobicContact CD2-CD2 4.45Å; L16-L47 HydrophobicContact CG-CD1 3.8Å; L16-L51 HydrophobicContact CD1-CD2 4.27Å; L16-L51 HydrophobicContact CD2-CD1 4.1Å; L16-L51 HydrophobicContact CD2-CD2 4.02Å; L16-L51 HydrophobicContact CD2-CG 4.4Å; L16-F90 HydrophobicContact CD2-CD2 3.93Å; L16-F90 HydrophobicContact CD2-CE2 4.22Å
17E87.5Confident80.6Confident125 Ų12576.8 Ų76.858%0.58439%0.392SS*.Hα-helixtrans-68.8-45176-172.8174.7-174.600112.1L13 G14 L19 A20 N21L13-E17 PolarHBondContact O-N 3.44Å; G14-E17 PolarHBondContact O-N 3.38Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.32Å; E17-A20 PolarHBondContact O-N 2.92Å; E17-N21 WeakPolarHBondContact O-CB 3.43Å; E17-N21 PolarHBondContact O-N 3.02Å; E17-N21 PolarHBondContact O-ND2 3.31Å; E17-N21 VanDerWaalsContact O-ND2 3.09Å
18E84.2Confident82.2Confident62 Ų6275.3 Ų75.329%0.2938%0.384SS..Hα-helixtrans-63-41.4173.9-170.7175.1167.900110.8G14 M22 M34 R38 F39G14-E18 PolarHBondContact O-N 3.01Å; E18-M22 HydrophobicContact CG-CG 4.28Å; E18-M22 VanDerWaalsContact O-CB 3.31Å; E18-M22 WeakPolarHBondContact O-CB 3.49Å; E18-M22 WeakPolarHBondContact O-CG 3.38Å; E18-M22 PolarHBondContact O-N 2.98Å; E18-M34 HydrophobicContact CG-CE 4.35Å; E18-R38 IonicContact OE1-NE 2.67Å; E18-F39 WeakPolarHBondContact OE2-CZ 3.22Å
19L86.2Confident83.7Confident0 Ų078.6 Ų78.60%040%0.401CS..Hα-helixtrans-64.8-43.6176-156.7179.5000111.3I15 E17 R23 V35 I86 V87 F90I15-L19 WeakPolarHBondContact O-CB 3.34Å; I15-L19 PolarHBondContact O-N 2.93Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.32Å; L19-R23 VanDerWaalsContact O-CB 3.32Å; L19-R23 WeakPolarHBondContact O-CB 3.27Å; L19-R23 PolarHBondContact O-N 3.47Å; L19-V35 HydrophobicContact CD1-CG2 4.16Å; L19-V35 HydrophobicContact CG-CG2 4.09Å; L19-I86 HydrophobicContact CD1-CG2 3.78Å; L19-V87 HydrophobicContact CD1-CG2 4.01Å; L19-V87 HydrophobicContact CD2-CG2 4.32Å; L19-V87 HydrophobicContact CG-CG2 4.35Å; L19-F90 HydrophobicContact CD1-CD1 4.37Å; L19-F90 HydrophobicContact CD2-CD1 3.52Å; L19-F90 HydrophobicContact CD2-CE1 3.79Å; L19-F90 HydrophobicContact CD2-CG 4.48Å; L19-F90 HydrophobicContact CG-CD1 4.46Å
20A85.7Confident84.6Confident36 Ų3677.6 Ų77.630%0.29839%0.392SS..Hα-helixtrans-60.2-49.1176.600000112.2L16 E17 R23 F90L16-A20 WeakPolarHBondContact O-CB 3.34Å; L16-A20 PolarHBondContact O-N 3.28Å; E17-A20 PolarHBondContact O-N 2.92Å; A20-R23 WeakPolarHBondContact O-CB 3.3Å; A20-R23 PolarHBondContact O-N 3.36Å; A20-F90 HydrophobicContact CB-CE1 4.27Å; A20-F90 HydrophobicContact CB-CZ 3.82Å
21N87.5Confident85.2Confident99 Ų9972.9 Ų72.953%0.52936%0.363SS..Hα-helixtrans-63.9-45.1179.7-75.5-39.6000111.6E17 R23 W25E17-N21 WeakPolarHBondContact O-CB 3.43Å; E17-N21 PolarHBondContact O-N 3.02Å; E17-N21 PolarHBondContact O-ND2 3.31Å; E17-N21 VanDerWaalsContact O-ND2 3.09Å; N21-R23 PolarHBondContact O-N 2.91Å; N21-W25 VanDerWaalsContact O-CD1 3.29Å
22M83.1Confident85.9Confident68 Ų6869.7 Ų69.734%0.33534%0.344SS..Hα-helixtrans-78.5-16.3-177.3-61.8-60.3-69.600113.7E18 Q24 W25 L26 L31 M34E18-M22 HydrophobicContact CG-CG 4.28Å; E18-M22 VanDerWaalsContact O-CB 3.31Å; E18-M22 WeakPolarHBondContact O-CB 3.49Å; E18-M22 WeakPolarHBondContact O-CG 3.38Å; E18-M22 PolarHBondContact O-N 2.98Å; M22-Q24 PolarHBondContact O-N 2.95Å; M22-Q24 VanDerWaalsContact O-N 3.11Å; M22-W25 PolarHBondContact O-N 3.28Å; M22-L26 HydrophobicContact CB-CD1 4.16Å; M22-L26 HydrophobicContact CE-CD1 3.74Å; M22-L26 HydrophobicContact CE-CG 4Å; M22-L26 PolarHBondContact O-N 3.34Å; M22-L26 VanDerWaalsContact O-N 3.13Å; M22-L31 HydrophobicContact CB-CD2 4.02Å; M22-M34 HydrophobicContact CB-CE 3.97Å; M22-M34 HydrophobicContact CB-SD 4.06Å; M22-M34 HydrophobicContact CE-SD 4.45Å; M22-M34 HydrophobicContact CG-CE 4.13Å; M22-M34 HydrophobicContact CG-SD 3.89Å
23R82.8Confident86.3Confident82 Ų8274.6 Ų74.631%0.30936%0.362SS..THydrogen-bonded Turntrans-52.3-34.2-179.2-176.6-178.5-178.5-124.5-9.9113.9L19 A20 N21 N91 Q94L19-R23 VanDerWaalsContact O-CB 3.32Å; L19-R23 WeakPolarHBondContact O-CB 3.27Å; L19-R23 PolarHBondContact O-N 3.47Å; A20-R23 WeakPolarHBondContact O-CB 3.3Å; A20-R23 PolarHBondContact O-N 3.36Å; N21-R23 PolarHBondContact O-N 2.91Å; R23-N91 PolarHBondContact NE-OD1 2.92Å; R23-N91 PolarHBondContact NH2-OD1 2.98Å; R23-Q94 VanDerWaalsContact CD-OE1 3.32Å; R23-Q94 VanDerWaalsContact NH1-CD 3.29Å
24Q82.9Confident86.7Confident169 Ų16970.2 Ų70.279%0.7934%0.338SS*.THydrogen-bonded Turntrans-82.7-13.7-177.2-58.9-176.510.100113.3M22M22-Q24 PolarHBondContact O-N 2.95Å; M22-Q24 VanDerWaalsContact O-N 3.11Å
25W83.3Confident87.1Confident207 Ų20768.7 Ų68.778%0.78432%0.323SS*.THydrogen-bonded Turntrans-117.8-14.7-169.3-55.994.6000114.1N21 M22N21-W25 VanDerWaalsContact O-CD1 3.29Å; M22-W25 PolarHBondContact O-N 3.28Å
26L87.6Confident87.4Confident59 Ų5969.8 Ų69.831%0.30933%0.33SS..SBendtrans-122.3148.7-177-68.5-176.1000112M22 D30 L31 M34M22-L26 HydrophobicContact CB-CD1 4.16Å; M22-L26 HydrophobicContact CE-CD1 3.74Å; M22-L26 HydrophobicContact CE-CG 4Å; M22-L26 PolarHBondContact O-N 3.34Å; M22-L26 VanDerWaalsContact O-N 3.13Å; L26-D30 HydrophobicContact CB-CB 4.21Å; L26-D30 HydrophobicContact CD2-CB 4.29Å; L26-L31 HydrophobicContact CB-CD2 3.9Å; L26-L31 HydrophobicContact CB-CG 3.78Å; L26-L31 HydrophobicContact CD1-CD2 4.19Å; L26-M34 HydrophobicContact CD1-SD 3.72Å
27T89.7Confident87.5Confident77 Ų7773.2 Ų73.247%0.47235%0.353SS..  trans-68161.1172.480.10000110.9Q29 D30 L31T27-Q29 PolarHBondContact O-N 3.34Å; T27-Q29 PolarHBondContact OG1-N 2.9Å; T27-D30 WeakPolarHBondContact CB-OD2 3.35Å; T27-D30 WeakPolarHBondContact CG2-OD2 3.34Å; T27-D30 PolarHBondContact O-N 2.93Å; T27-D30 VanDerWaalsContact O-N 3.08Å; T27-D30 VanDerWaalsContact OG1-CG 3.24Å; T27-D30 PolarHBondContact OG1-N 2.92Å; T27-D30 PolarHBondContact OG1-OD2 2.94Å; T27-L31 WeakPolarHBondContact O-CG 3.48Å; T27-L31 PolarHBondContact O-N 3.47Å
28F88.9Confident87.3Confident98 Ų9875.2 Ų75.243%0.4336%0.355SS..Hα-helixtrans-51.9-41.4172.8177-96.1000112.5C32 A84 V87F28-C32 WeakPolarHBondContact O-CB 3.27Å; F28-C32 PolarHBondContact O-N 3.47Å; F28-C32 PolarHBondContact O-SG 3.21Å; F28-A84 HydrophobicContact CZ-CB 4.15Å; F28-V87 HydrophobicContact CD2-CB 4.37Å; F28-V87 HydrophobicContact CD2-CG1 3.56Å; F28-V87 HydrophobicContact CE2-CB 3.95Å; F28-V87 HydrophobicContact CE2-CG1 3.61Å
29Q92Very high87.4Confident129 Ų12974.2 Ų74.260%0.60335%0.35SS*.Hα-helixtrans-67.8-38.4179.8-169.2-179.816.600111.9T27 R33T27-Q29 PolarHBondContact O-N 3.34Å; T27-Q29 PolarHBondContact OG1-N 2.9Å; Q29-R33 WeakPolarHBondContact O-CB 3.49Å; Q29-R33 PolarHBondContact O-N 3.28Å
30D90.3Very high87.5Confident49 Ų4979.2 Ų79.226%0.26238%0.377SS..Hα-helixtrans-75.4-35.6180-57-50.5000111.9L26 T27 R33 M34L26-D30 HydrophobicContact CB-CB 4.21Å; L26-D30 HydrophobicContact CD2-CB 4.29Å; T27-D30 WeakPolarHBondContact CB-OD2 3.35Å; T27-D30 WeakPolarHBondContact CG2-OD2 3.34Å; T27-D30 PolarHBondContact O-N 2.93Å; T27-D30 VanDerWaalsContact O-N 3.08Å; T27-D30 VanDerWaalsContact OG1-CG 3.24Å; T27-D30 PolarHBondContact OG1-N 2.92Å; T27-D30 PolarHBondContact OG1-OD2 2.94Å; D30-R33 PolarHBondContact O-N 2.84Å; D30-R33 IonicContact OD1-CZ 3.2Å; D30-R33 IonicContact OD1-NH1 3.64Å; D30-R33 PolarHBondContact OD1-NH1 2.86Å; D30-R33 IonicContact OD1-NH2 3.67Å; D30-M34 VanDerWaalsContact O-CB 3.23Å; D30-M34 WeakPolarHBondContact O-CB 3.31Å; D30-M34 PolarHBondContact O-N 2.87Å
31L90Very high87.6Confident5 Ų581 Ų813%0.02638%0.381CS..Hα-helixtrans-59.8-48.4168.7-71.5165.8000111.2M22 L26 T27 R33 M34 V35 V87M22-L31 HydrophobicContact CB-CD2 4.02Å; L26-L31 HydrophobicContact CB-CD2 3.9Å; L26-L31 HydrophobicContact CB-CG 3.78Å; L26-L31 HydrophobicContact CD1-CD2 4.19Å; T27-L31 WeakPolarHBondContact O-CG 3.48Å; T27-L31 PolarHBondContact O-N 3.47Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.49Å; L31-M34 HydrophobicContact CD2-CE 4.21Å; L31-M34 PolarHBondContact O-N 3.37Å; L31-V35 WeakPolarHBondContact O-CB 3.42Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.4Å; L31-V35 PolarHBondContact O-N 3.37Å; L31-V87 HydrophobicContact CB-CG1 4.4Å; L31-V87 HydrophobicContact CB-CG2 4.25Å; L31-V87 HydrophobicContact CD1-CG1 4.39Å
32C90.7Very high87.6Confident4 Ų483.9 Ų83.93%0.02739%0.391CS..Hα-helixtrans-60.1-44.3176.2-65.90000111.1F28 S36 I80 A83 A84F28-C32 WeakPolarHBondContact O-CB 3.27Å; F28-C32 PolarHBondContact O-N 3.47Å; F28-C32 PolarHBondContact O-SG 3.21Å; C32-S36 WeakPolarHBondContact O-CB 3.26Å; C32-S36 PolarHBondContact O-N 3.24Å; C32-S36 PolarHBondContact O-OG 3.11Å; C32-S36 VanDerWaalsContact O-OG 3.07Å; C32-I80 HydrophobicContact CB-CD1 3.71Å; C32-A83 WeakPolarHBondContact O-CB 3.3Å; C32-A84 VanDerWaalsContact SG-CA 3.51Å
33R90.9Very high87.8Confident114 Ų11482.9 Ų82.943%0.4339%0.385SS..Hα-helixtrans-61.1-52.8177.2-163.4-177.2-58.9106.60.7110.7Q29 D30 L31 V35 S36 T37Q29-R33 WeakPolarHBondContact O-CB 3.49Å; Q29-R33 PolarHBondContact O-N 3.28Å; D30-R33 PolarHBondContact O-N 2.84Å; D30-R33 IonicContact OD1-CZ 3.2Å; D30-R33 IonicContact OD1-NH1 3.64Å; D30-R33 PolarHBondContact OD1-NH1 2.86Å; D30-R33 IonicContact OD1-NH2 3.67Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.49Å; R33-V35 PolarHBondContact O-N 2.87Å; R33-S36 WeakPolarHBondContact CA-OG 3.46Å; R33-S36 CarbonylContact O-C 3.59Å; R33-S36 PolarHBondContact O-N 2.94Å; R33-S36 VanDerWaalsContact O-N 3.15Å; R33-S36 PolarHBondContact O-OG 3.07Å; R33-T37 WeakPolarHBondContact O-CG2 3.26Å; R33-T37 PolarHBondContact O-N 3.01Å; R33-T37 PolarHBondContact O-OG1 3.34Å; R33-T37 VanDerWaalsContact O-OG1 3.05Å
34M89.8Confident88Confident24 Ų2479 Ų7912%0.11837%0.371CS..Hα-helixtrans-50.8-58.1177.5-179.7-171.282.600111.4E18 M22 L26 D30 L31 S36 T37 R38E18-M34 HydrophobicContact CG-CE 4.35Å; M22-M34 HydrophobicContact CB-CE 3.97Å; M22-M34 HydrophobicContact CB-SD 4.06Å; M22-M34 HydrophobicContact CE-SD 4.45Å; M22-M34 HydrophobicContact CG-CE 4.13Å; M22-M34 HydrophobicContact CG-SD 3.89Å; L26-M34 HydrophobicContact CD1-SD 3.72Å; D30-M34 VanDerWaalsContact O-CB 3.23Å; D30-M34 WeakPolarHBondContact O-CB 3.31Å; D30-M34 PolarHBondContact O-N 2.87Å; L31-M34 HydrophobicContact CD2-CE 4.21Å; L31-M34 PolarHBondContact O-N 3.37Å; M34-S36 VanDerWaalsContact C-N 3.29Å; M34-S36 PolarHBondContact O-N 3.3Å; M34-T37 PolarHBondContact O-N 3.31Å; M34-T37 VanDerWaalsContact O-N 3.07Å; M34-T37 PolarHBondContact O-OG1 3.41Å; M34-R38 HydrophobicContact CG-CG 4.06Å; M34-R38 VanDerWaalsContact O-CB 3.32Å; M34-R38 WeakPolarHBondContact O-CB 3.19Å; M34-R38 VanDerWaalsContact O-CG 3.28Å; M34-R38 WeakPolarHBondContact O-CG 3.29Å; M34-R38 PolarHBondContact O-N 2.85Å
35V88.8Confident88.3Confident0 Ų073.2 Ų73.20%035%0.347CS..Hα-helixtrans-58-41.6179.6171.60000111.1L19 L31 R33 T37 F39 L44 A83L19-V35 HydrophobicContact CD1-CG2 4.16Å; L19-V35 HydrophobicContact CG-CG2 4.09Å; L31-V35 WeakPolarHBondContact O-CB 3.42Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.4Å; L31-V35 PolarHBondContact O-N 3.37Å; R33-V35 PolarHBondContact O-N 2.87Å; V35-T37 VanDerWaalsContact C-N 3.29Å; V35-T37 PolarHBondContact O-N 3.45Å; V35-F39 HydrophobicContact CG1-CD2 4.33Å; V35-F39 WeakPolarHBondContact O-CD2 3.47Å; V35-F39 PolarHBondContact O-N 3.44Å; V35-L44 HydrophobicContact CG1-CD1 4.43Å; V35-L44 HydrophobicContact CG1-CD2 3.41Å; V35-L44 VanDerWaalsContact CG1-CD2 3.41Å; V35-A83 HydrophobicContact CB-CB 4.01Å; V35-A83 HydrophobicContact CG1-CB 3.75Å
36S89.4Confident88.6Confident22 Ų2268.3 Ų68.315%0.15433%0.333CS..Hα-helixtrans-72.7-12.7178.874.60000115.6C32 R33 M34C32-S36 WeakPolarHBondContact O-CB 3.26Å; C32-S36 PolarHBondContact O-N 3.24Å; C32-S36 PolarHBondContact O-OG 3.11Å; C32-S36 VanDerWaalsContact O-OG 3.07Å; R33-S36 WeakPolarHBondContact CA-OG 3.46Å; R33-S36 CarbonylContact O-C 3.59Å; R33-S36 PolarHBondContact O-N 2.94Å; R33-S36 VanDerWaalsContact O-N 3.15Å; R33-S36 PolarHBondContact O-OG 3.07Å; M34-S36 VanDerWaalsContact C-N 3.29Å; M34-S36 PolarHBondContact O-N 3.3Å
37T87.1Confident88.7Confident108 Ų10865.6 Ų65.666%0.66332%0.319SS*.Hα-helixtrans-112.7-17.217957.30000114.1R33 M34 V35R33-T37 WeakPolarHBondContact O-CG2 3.26Å; R33-T37 PolarHBondContact O-N 3.01Å; R33-T37 PolarHBondContact O-OG1 3.34Å; R33-T37 VanDerWaalsContact O-OG1 3.05Å; M34-T37 PolarHBondContact O-N 3.31Å; M34-T37 VanDerWaalsContact O-N 3.07Å; M34-T37 PolarHBondContact O-OG1 3.41Å; V35-T37 VanDerWaalsContact C-N 3.29Å; V35-T37 PolarHBondContact O-N 3.45Å
38R82.9Confident88.8Confident168 Ų16862.1 Ų62.163%0.63430%0.297SS*.Hα-helixtrans-85.7-30.6177.3-77.3-66.4-161.5-147.6-0.7113.3E18 M34E18-R38 IonicContact OE1-NE 2.67Å; M34-R38 HydrophobicContact CG-CG 4.06Å; M34-R38 VanDerWaalsContact O-CB 3.32Å; M34-R38 WeakPolarHBondContact O-CB 3.19Å; M34-R38 VanDerWaalsContact O-CG 3.28Å; M34-R38 WeakPolarHBondContact O-CG 3.29Å; M34-R38 PolarHBondContact O-N 2.85Å
39F85.5Confident88.8Confident41 Ų4159.5 Ų59.518%0.1829%0.294CS..SBendtrans-132.1146.5-166.7-49.2-63.1000112.1I15 E18 V35 L44I15-F39 HydrophobicContact CB-CD2 4.43Å; I15-F39 HydrophobicContact CB-CE2 4.18Å; I15-F39 HydrophobicContact CB-CZ 4.26Å; I15-F39 HydrophobicContact CD1-CB 4.24Å; I15-F39 HydrophobicContact CD1-CD1 4.06Å; I15-F39 HydrophobicContact CD1-CD2 4.35Å; I15-F39 HydrophobicContact CD1-CG 3.95Å; I15-F39 HydrophobicContact CG1-CD1 3.64Å; I15-F39 HydrophobicContact CG1-CD2 3.89Å; I15-F39 HydrophobicContact CG1-CE1 3.65Å; I15-F39 HydrophobicContact CG1-CE2 3.91Å; I15-F39 HydrophobicContact CG1-CG 3.76Å; I15-F39 HydrophobicContact CG1-CZ 3.78Å; I15-F39 HydrophobicContact CG2-CD2 3.8Å; I15-F39 HydrophobicContact CG2-CE2 3.69Å; I15-F39 HydrophobicContact CG2-CG 4.47Å; I15-F39 HydrophobicContact CG2-CZ 4.27Å; E18-F39 WeakPolarHBondContact OE2-CZ 3.22Å; V35-F39 HydrophobicContact CG1-CD2 4.33Å; V35-F39 WeakPolarHBondContact O-CD2 3.47Å; V35-F39 PolarHBondContact O-N 3.44Å; F39-L44 HydrophobicContact CB-CD1 4.48Å; F39-L44 HydrophobicContact CB-CD2 3.93Å; F39-L44 HydrophobicContact CB-CG 4.06Å; F39-L44 HydrophobicContact CD2-CD2 4.31Å
40D88.1Confident88.8Confident105 Ų10558.2 Ų58.256%0.56129%0.29SS*.  trans-67.8150.6-179.3-50.8-70.3000112.6E42 H43 L44D40-E42 PolarHBondContact O-N 2.8Å; D40-E42 VanDerWaalsContact O-N 3.13Å; D40-H43 PolarHBondContact O-N 2.9Å; D40-H43 IonicContact OD2-CE1 3.51Å; D40-H43 IonicContact OD2-ND1 3.58Å; D40-H43 PolarHBondContact OD2-ND1 3.46Å; D40-H43 VanDerWaalsContact OD2-ND1 3.08Å; D40-L44 WeakPolarHBondContact O-CG 3.36Å; D40-L44 PolarHBondContact O-N 3.29Å
41L88.3Confident88.8Confident73 Ų7356.5 Ų56.538%0.38228%0.281SS..Hα-helixtrans-55.7-32.1177.9-178.661.8000113V45 P79 V82L41-V45 HydrophobicContact CD1-CG2 4.11Å; L41-V45 HydrophobicContact CG-CG2 4.4Å; L41-V45 WeakPolarHBondContact O-CB 3.45Å; L41-V45 VanDerWaalsContact O-CG2 3.23Å; L41-V45 WeakPolarHBondContact O-CG2 3.32Å; L41-V45 PolarHBondContact O-N 3.39Å; L41-P79 HydrophobicContact CD1-CB 4.11Å; L41-V82 HydrophobicContact CD1-CB 4.42Å; L41-V82 HydrophobicContact CD1-CG2 3.95Å
42E87Confident88.8Confident160 Ų16057.7 Ų57.775%0.74829%0.286SS*.Hα-helixtrans-69.2-51.7178.7-59.1-168.515800111.5D40 L44 V45 E46D40-E42 PolarHBondContact O-N 2.8Å; D40-E42 VanDerWaalsContact O-N 3.13Å; E42-L44 VanDerWaalsContact C-N 3.26Å; E42-L44 PolarHBondContact O-N 3.44Å; E42-V45 PolarHBondContact O-N 2.92Å; E42-V45 VanDerWaalsContact O-N 3.16Å; E42-E46 PolarHBondContact O-N 2.92Å
43H86.9Confident88.8Confident46 Ų4660 Ų6021%0.21331%0.305CS..Hα-helixtrans-55.6-40.7173.1-65.5114.4000112Y8 I15 D40 L47Y8-H43 AromaticContact CD2-NE2 3.98Å; Y8-H43 AromaticContact CE2-CD2 3.32Å; Y8-H43 WeakPolarHBondContact CE2-CD2 3.37Å; Y8-H43 AromaticContact CE2-NE2 3.44Å; Y8-H43 WeakPolarHBondContact CE2-NE2 3.49Å; Y8-H43 AromaticContact CZ-CD2 3.58Å; I15-H43 HydrophobicContact CD1-CB 4.34Å; D40-H43 PolarHBondContact O-N 2.9Å; D40-H43 IonicContact OD2-CE1 3.51Å; D40-H43 IonicContact OD2-ND1 3.58Å; D40-H43 PolarHBondContact OD2-ND1 3.46Å; D40-H43 VanDerWaalsContact OD2-ND1 3.08Å; H43-L47 VanDerWaalsContact O-CB 3.26Å; H43-L47 WeakPolarHBondContact O-CB 3.45Å; H43-L47 PolarHBondContact O-N 2.92Å
44L88.4Confident88.6Confident0 Ų057.3 Ų57.30%031%0.308CS..Hα-helixtrans-69.2-41.5176.7-65.6177.3000112.6V35 F39 D40 E42 E46 L47 R48 V82 I86V35-L44 HydrophobicContact CG1-CD1 4.43Å; V35-L44 HydrophobicContact CG1-CD2 3.41Å; V35-L44 VanDerWaalsContact CG1-CD2 3.41Å; F39-L44 HydrophobicContact CB-CD1 4.48Å; F39-L44 HydrophobicContact CB-CD2 3.93Å; F39-L44 HydrophobicContact CB-CG 4.06Å; F39-L44 HydrophobicContact CD2-CD2 4.31Å; D40-L44 WeakPolarHBondContact O-CG 3.36Å; D40-L44 PolarHBondContact O-N 3.29Å; E42-L44 VanDerWaalsContact C-N 3.26Å; E42-L44 PolarHBondContact O-N 3.44Å; L44-E46 VanDerWaalsContact C-N 3.33Å; L44-E46 PolarHBondContact O-N 3.5Å; L44-L47 PolarHBondContact O-N 2.76Å; L44-R48 WeakPolarHBondContact O-CB 3.29Å; L44-R48 PolarHBondContact O-N 2.71Å; L44-V82 HydrophobicContact CB-CG1 3.62Å; L44-I86 HydrophobicContact CB-CD1 3.97Å; L44-I86 HydrophobicContact CD2-CD1 3.75Å; L44-I86 HydrophobicContact CG-CD1 4.45Å; L44-I86 WeakPolarHBondContact O-CD1 3.41Å
45V89.2Confident88.6Confident49 Ų4956.6 Ų56.630%0.29731%0.305SS..Hα-helixtrans-64.9-38.5177.2166.20000111.2L41 E42 A49 L77 V82L41-V45 HydrophobicContact CD1-CG2 4.11Å; L41-V45 HydrophobicContact CG-CG2 4.4Å; L41-V45 WeakPolarHBondContact O-CB 3.45Å; L41-V45 VanDerWaalsContact O-CG2 3.23Å; L41-V45 WeakPolarHBondContact O-CG2 3.32Å; L41-V45 PolarHBondContact O-N 3.39Å; E42-V45 PolarHBondContact O-N 2.92Å; E42-V45 VanDerWaalsContact O-N 3.16Å; V45-A49 WeakPolarHBondContact O-CB 3.43Å; V45-A49 PolarHBondContact O-N 3.32Å; V45-L77 HydrophobicContact CG2-CD1 4Å; V45-V82 HydrophobicContact CG2-CG1 4.1Å; V45-V82 HydrophobicContact CG2-CG2 4.03Å
46E89.7Confident88.6Confident104 Ų10459.3 Ų59.349%0.48632%0.324SS..Hα-helixtrans-72-41.8175.7-167.6152.9153.400112.3Y8 E42 L44 R48 A49 L50Y8-E46 HydrophobicContact CE1-CB 4.28Å; Y8-E46 HydrophobicContact CE1-CG 4Å; Y8-E46 WeakPolarHBondContact CE1-OE1 3.34Å; Y8-E46 WeakPolarHBondContact OH-CB 3.39Å; E42-E46 PolarHBondContact O-N 2.92Å; L44-E46 VanDerWaalsContact C-N 3.33Å; L44-E46 PolarHBondContact O-N 3.5Å; E46-R48 VanDerWaalsContact C-N 3.3Å; E46-R48 PolarHBondContact O-N 2.99Å; E46-A49 PolarHBondContact O-N 3.4Å; E46-A49 VanDerWaalsContact O-N 3.16Å; E46-L50 WeakPolarHBondContact O-CB 3.32Å; E46-L50 PolarHBondContact O-N 2.67Å
47L89.6Confident88.4Confident1 Ų168.7 Ų68.71%0.00536%0.356CS..Hα-helixtrans-55.8-46.3172.8175.656.7000111.3L12 I15 L16 H43 L44 L50 L51 I86L12-L47 HydrophobicContact CD1-CB 3.65Å; L12-L47 HydrophobicContact CD1-CD1 4.37Å; L12-L47 HydrophobicContact CG-CB 4.23Å; L12-L47 HydrophobicContact CG-CD1 4.04Å; I15-L47 HydrophobicContact CB-CD2 3.94Å; I15-L47 HydrophobicContact CD1-CD2 4.35Å; I15-L47 HydrophobicContact CG2-CD2 3.34Å; L16-L47 HydrophobicContact CD1-CD1 3.94Å; L16-L47 HydrophobicContact CD2-CD1 3.95Å; L16-L47 HydrophobicContact CD2-CD2 4.45Å; L16-L47 HydrophobicContact CG-CD1 3.8Å; H43-L47 VanDerWaalsContact O-CB 3.26Å; H43-L47 WeakPolarHBondContact O-CB 3.45Å; H43-L47 PolarHBondContact O-N 2.92Å; L44-L47 PolarHBondContact O-N 2.76Å; L47-L50 PolarHBondContact O-N 3.42Å; L47-L51 HydrophobicContact CD1-CD1 3.95Å; L47-L51 HydrophobicContact CD1-CG 3.92Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.38Å; L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 WeakPolarHBondContact O-CG 3.09Å; L47-L51 PolarHBondContact O-N 2.97Å; L47-I86 HydrophobicContact CB-CD1 4.43Å; L47-I86 HydrophobicContact CD2-CD1 4.14Å; L47-I86 HydrophobicContact CD2-CG2 4.01Å; L47-I86 HydrophobicContact CG-CD1 4.33Å; L47-I86 HydrophobicContact CG-CG1 4.45Å; L47-I86 HydrophobicContact CG-CG2 4.43Å
48R91.1Very high88.3Confident4 Ų466 Ų662%0.01534%0.338CS..Hα-helixtrans-63.5-40178.3-175.3173.1168-105.411112.3L44 E46 F52 R69 V70 V82 D85 I86 I89L44-R48 WeakPolarHBondContact O-CB 3.29Å; L44-R48 PolarHBondContact O-N 2.71Å; E46-R48 VanDerWaalsContact C-N 3.3Å; E46-R48 PolarHBondContact O-N 2.99Å; R48-F52 WeakPolarHBondContact O-CB 3.37Å; R48-F52 PolarHBondContact O-N 2.77Å; R48-R69 VanDerWaalsContact CZ-O 3.24Å; R48-R69 PolarHBondContact NH1-O 3.02Å; R48-R69 PolarHBondContact NH2-O 3.45Å; R48-V70 HydrophobicContact CG-CG2 4.24Å; R48-V82 HydrophobicContact CB-CG1 4.31Å; R48-D85 HydrophobicContact CG-CB 4.49Å; R48-D85 IonicContact CZ-OD2 3.35Å; R48-D85 VanDerWaalsContact NE-CB 3.3Å; R48-D85 IonicContact NE-OD2 3.52Å; R48-D85 PolarHBondContact NE-OD2 3.49Å; R48-D85 IonicContact NH2-OD2 2.74Å; R48-D85 PolarHBondContact NH2-OD2 2.8Å; R48-I86 HydrophobicContact CB-CD1 4.19Å; R48-I86 HydrophobicContact CB-CG1 3.7Å; R48-I86 HydrophobicContact CG-CG1 4.2Å; R48-I89 HydrophobicContact CG-CD1 4.45Å
49A90.2Very high88.2Confident44 Ų4464.1 Ų64.136%0.36435%0.348SS..Hα-helixtrans-67.1-42.3175.600000111.9V45 E46 A53V45-A49 WeakPolarHBondContact O-CB 3.43Å; V45-A49 PolarHBondContact O-N 3.32Å; E46-A49 PolarHBondContact O-N 3.4Å; E46-A49 VanDerWaalsContact O-N 3.16Å; A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3.14Å; A49-A53 PolarHBondContact O-N 2.79Å
50L90.8Very high88Confident101 Ų10166.7 Ų66.753%0.52937%0.369SS..Hα-helixtrans-68.8-45.8178.2-174.365.8000112.1L12 E46 L47 F52 A53 A54L12-L50 HydrophobicContact CD2-CB 4.49Å; L12-L50 HydrophobicContact CD2-CD2 3.49Å; L12-L50 VanDerWaalsContact CD2-CD2 3.49Å; E46-L50 WeakPolarHBondContact O-CB 3.32Å; E46-L50 PolarHBondContact O-N 2.67Å; L47-L50 PolarHBondContact O-N 3.42Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-F52 PolarHBondContact O-N 3.1Å; L50-A53 PolarHBondContact O-N 2.94Å; L50-A54 WeakPolarHBondContact O-CB 3.33Å; L50-A54 PolarHBondContact O-N 2.8Å
51L90.1Very high88.1Confident14 Ų1462.2 Ų62.27%0.07335%0.345CS..Hα-helixtrans-57.3-46.9173.4-82.1174000111.4L16 L47 A54 A55 I86 I89 I93L16-L51 HydrophobicContact CD1-CD2 4.27Å; L16-L51 HydrophobicContact CD2-CD1 4.1Å; L16-L51 HydrophobicContact CD2-CD2 4.02Å; L16-L51 HydrophobicContact CD2-CG 4.4Å; L47-L51 HydrophobicContact CD1-CD1 3.95Å; L47-L51 HydrophobicContact CD1-CG 3.92Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.38Å; L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 WeakPolarHBondContact O-CG 3.09Å; L47-L51 PolarHBondContact O-N 2.97Å; L51-A54 PolarHBondContact O-N 2.81Å; L51-A55 WeakPolarHBondContact O-CB 3.38Å; L51-A55 PolarHBondContact O-N 2.92Å; L51-I86 HydrophobicContact CD1-CB 4.4Å; L51-I86 HydrophobicContact CD1-CG1 4.43Å; L51-I86 HydrophobicContact CD1-CG2 3.81Å; L51-I89 HydrophobicContact CB-CG2 3.93Å; L51-I93 HydrophobicContact CD2-CD1 3.86Å
52F90.9Very high88.1Confident30 Ų3060.9 Ų60.913%0.13234%0.341CS..Hα-helixtrans-62.8-43.9176.8179.4-104.9000111.8R48 L50 A54 A55 S56 F61 A63 F66 R67 V70 I89R48-F52 WeakPolarHBondContact O-CB 3.37Å; R48-F52 PolarHBondContact O-N 2.77Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-F52 PolarHBondContact O-N 3.1Å; F52-A54 VanDerWaalsContact C-N 3.34Å; F52-A54 PolarHBondContact O-N 3.39Å; F52-A55 PolarHBondContact O-N 2.81Å; F52-S56 WeakPolarHBondContact O-CB 3.48Å; F52-S56 PolarHBondContact O-N 3.45Å; F52-S56 PolarHBondContact O-OG 3.17Å; F52-F61 HydrophobicContact CD2-CE1 4.35Å; F52-F61 HydrophobicContact CE2-CE1 4.49Å; F52-A63 HydrophobicContact CE2-CB 3.94Å; F52-A63 WeakPolarHBondContact CE2-O 3.44Å; F52-A63 HydrophobicContact CZ-CB 4.15Å; F52-F66 HydrophobicContact CD2-CB 3.71Å; F52-F66 HydrophobicContact CE2-CB 3.74Å; F52-R67 HydrophobicContact CZ-CB 3.94Å; F52-R67 HydrophobicContact CZ-CG 4.43Å; F52-V70 HydrophobicContact CB-CG1 4.1Å; F52-V70 HydrophobicContact CB-CG2 4.18Å; F52-V70 HydrophobicContact CD1-CB 4.24Å; F52-V70 HydrophobicContact CD1-CG1 3.81Å; F52-V70 HydrophobicContact CD1-CG2 4.49Å; F52-V70 HydrophobicContact CD2-CG2 4.32Å; F52-V70 HydrophobicContact CG-CB 4.32Å; F52-V70 HydrophobicContact CG-CG1 4.06Å; F52-V70 HydrophobicContact CG-CG2 4.06Å; F52-I89 HydrophobicContact CB-CD1 4.42Å
53A89.3Confident88Confident52 Ų5254.5 Ų54.543%0.4332%0.315SS..Hα-helixtrans-64.1-36.6177.600000112.6A49 L50 S56 R57A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3.14Å; A49-A53 PolarHBondContact O-N 2.79Å; L50-A53 PolarHBondContact O-N 2.94Å; A53-S56 PolarHBondContact O-OG 3.34Å; A53-R57 WeakPolarHBondContact O-CG 3.49Å
54A88.8Confident88Confident58 Ų5857.2 Ų57.248%0.47934%0.335SS..Hα-helixtrans-70.8-49.8174.400000111.9L50 L51 F52 S56 R57L50-A54 WeakPolarHBondContact O-CB 3.33Å; L50-A54 PolarHBondContact O-N 2.8Å; L51-A54 PolarHBondContact O-N 2.81Å; F52-A54 VanDerWaalsContact C-N 3.34Å; F52-A54 PolarHBondContact O-N 3.39Å; A54-S56 PolarHBondContact O-N 3.48Å; A54-R57 WeakPolarHBondContact O-CB 3.47Å; A54-R57 WeakPolarHBondContact O-CG 3.19Å; A54-R57 PolarHBondContact O-N 3.39Å
55A89.1Confident87.8Confident8 Ų862.3 Ų62.37%0.06636%0.362CS..Hα-helixtrans-64.1-38.1-178.900000112.7L51 F52 R57 D58 F61 I89 I93L51-A55 WeakPolarHBondContact O-CB 3.38Å; L51-A55 PolarHBondContact O-N 2.92Å; F52-A55 PolarHBondContact O-N 2.81Å; A55-R57 PolarHBondContact O-N 3.33Å; A55-D58 WeakPolarHBondContact O-CB 3.45Å; A55-D58 PolarHBondContact O-N 3.35Å; A55-F61 HydrophobicContact CB-CD1 3.68Å; A55-F61 HydrophobicContact CB-CD2 3.75Å; A55-F61 HydrophobicContact CB-CE1 3.63Å; A55-F61 HydrophobicContact CB-CE2 3.69Å; A55-F61 HydrophobicContact CB-CG 3.75Å; A55-F61 HydrophobicContact CB-CZ 3.65Å; A55-F61 VanDerWaalsContact O-CB 3.29Å; A55-F61 WeakPolarHBondContact O-CB 3.37Å; A55-I89 HydrophobicContact CB-CG2 4.23Å; A55-I93 HydrophobicContact CB-CD1 3.94Å; A55-I93 HydrophobicContact CB-CG1 3.82Å
56S87.9Confident87.6Confident57 Ų5760.2 Ų60.240%0.39935%0.349SS..THydrogen-bonded Turntrans-67.72.4177.4700000115.3F52 A53 A54F52-S56 WeakPolarHBondContact O-CB 3.48Å; F52-S56 PolarHBondContact O-N 3.45Å; F52-S56 PolarHBondContact O-OG 3.17Å; A53-S56 PolarHBondContact O-OG 3.34Å; A54-S56 PolarHBondContact O-N 3.48Å
57R86.3Confident87.3Confident219 Ų21962.8 Ų62.883%0.82635%0.354SS*.THydrogen-bonded Turntrans-87.6-19.8170-51.5-175.875.1175.72112.4A53 A54 A55A53-R57 WeakPolarHBondContact O-CG 3.49Å; A54-R57 WeakPolarHBondContact O-CB 3.47Å; A54-R57 WeakPolarHBondContact O-CG 3.19Å; A54-R57 PolarHBondContact O-N 3.39Å; A55-R57 PolarHBondContact O-N 3.33Å
58D85.4Confident86.8Confident53 Ų5368.6 Ų68.628%0.28339%0.385SS..SBendtrans-82.2121.1172.2171.113.1000109.3A55 C60 F61 T96A55-D58 WeakPolarHBondContact O-CB 3.45Å; A55-D58 PolarHBondContact O-N 3.35Å; D58-C60 PolarHBondContact O-N 3.27Å; D58-C60 WeakPolarHBondContact OD1-CB 3.39Å; D58-C60 PolarHBondContact OD1-N 3.39Å; D58-F61 HydrophobicContact CB-CB 4.09Å; D58-F61 PolarHBondContact O-N 2.86Å; D58-T96 VanDerWaalsContact OD2-CG2 3.27Å; D58-T96 WeakPolarHBondContact OD2-CG2 3.38Å
59P79.1Confident86.2Confident128 Ų12874.7 Ų74.783%0.83141%0.408SS*.THydrogen-bonded Turntrans-65.2-19.3178.428.9-36.2000113.5
60C82.6Confident85.8Confident94 Ų9474 Ų7464%0.63540%0.399SS*.THydrogen-bonded Turntrans-85.3-8.8177.2-64.90000113.1D58 T96D58-C60 PolarHBondContact O-N 3.27Å; D58-C60 WeakPolarHBondContact OD1-CB 3.39Å; D58-C60 PolarHBondContact OD1-N 3.39Å; C60-T96 HydrophobicContact CB-CG2 3.79Å
61F90.3Very high84.7Confident12 Ų1273.4 Ų73.45%0.05340%0.403CS..SBendtrans-81.9129.9-177.8-178.3-98.4000112.4F52 A55 D58 A63 F66 I89 L92 I93F52-F61 HydrophobicContact CD2-CE1 4.35Å; F52-F61 HydrophobicContact CE2-CE1 4.49Å; A55-F61 HydrophobicContact CB-CD1 3.68Å; A55-F61 HydrophobicContact CB-CD2 3.75Å; A55-F61 HydrophobicContact CB-CE1 3.63Å; A55-F61 HydrophobicContact CB-CE2 3.69Å; A55-F61 HydrophobicContact CB-CG 3.75Å; A55-F61 HydrophobicContact CB-CZ 3.65Å; A55-F61 VanDerWaalsContact O-CB 3.29Å; A55-F61 WeakPolarHBondContact O-CB 3.37Å; D58-F61 HydrophobicContact CB-CB 4.09Å; D58-F61 PolarHBondContact O-N 2.86Å; F61-A63 HydrophobicContact CD1-CB 4.01Å; F61-A63 HydrophobicContact CE1-CB 4.3Å; F61-A63 PolarHBondContact O-N 3.03Å; F61-F66 HydrophobicContact CE1-CD2 4.21Å; F61-F66 AromaticContact CZ-CD2 3.96Å; F61-F66 HydrophobicContact CZ-CD2 3.96Å; F61-F66 AromaticContact CZ-CE2 3.98Å; F61-F66 HydrophobicContact CZ-CE2 3.98Å; F61-I89 HydrophobicContact CE2-CG2 4.26Å; F61-I89 HydrophobicContact CZ-CB 4.46Å; F61-I89 HydrophobicContact CZ-CG1 4.2Å; F61-I89 HydrophobicContact CZ-CG2 3.95Å; F61-L92 HydrophobicContact CD2-CB 4.27Å; F61-L92 HydrophobicContact CE2-CB 3.78Å; F61-L92 HydrophobicContact CE2-CD1 4.11Å; F61-I93 HydrophobicContact CE2-CG1 4.5Å
62P87.7Confident83.5Confident45 Ų4575.4 Ų75.429%0.29242%0.416SS..  trans-77.762.9-175.733.1-37.8000113.1T64 L65 L92P62-T64 PolarHBondContact O-N 2.82Å; P62-L65 HydrophobicContact CB-CD1 3.92Å; P62-L65 HydrophobicContact CB-CG 4.27Å; P62-L65 HydrophobicContact CG-CD1 4.11Å; P62-L65 PolarHBondContact O-N 3.04Å; P62-L92 HydrophobicContact CG-CD1 4.05Å; P62-L92 HydrophobicContact CG-CD2 4.5Å
63A85.7Confident81.8Confident26 Ų2685.5 Ų85.522%0.21545%0.453CS..THydrogen-bonded Turntrans-59.2-23.2-174.700000114.3F52 F61 L65 F66 R67F52-A63 HydrophobicContact CE2-CB 3.94Å; F52-A63 WeakPolarHBondContact CE2-O 3.44Å; F52-A63 HydrophobicContact CZ-CB 4.15Å; F61-A63 HydrophobicContact CD1-CB 4.01Å; F61-A63 HydrophobicContact CE1-CB 4.3Å; F61-A63 PolarHBondContact O-N 3.03Å; A63-L65 VanDerWaalsContact C-N 3.27Å; A63-L65 PolarHBondContact O-N 2.95Å; A63-F66 PolarHBondContact O-N 3.19Å; A63-R67 WeakPolarHBondContact O-CB 3.32Å; A63-R67 PolarHBondContact O-N 3.19Å
64T85.9Confident80.3Confident102 Ų10286 Ų8663%0.62646%0.464SS*.Hα-helixtrans-59.7-34.1177.246.50000113.2P62 F66P62-T64 PolarHBondContact O-N 2.82Å; T64-F66 VanDerWaalsContact C-N 3.31Å; T64-F66 PolarHBondContact O-N 3.35Å
65L83.8Confident78.7Confident107 Ų10791.8 Ų91.856%0.5648%0.481SS*.Hα-helixtrans-66-31.9-178.3-60.5178.1000113P62 A63P62-L65 HydrophobicContact CB-CD1 3.92Å; P62-L65 HydrophobicContact CB-CG 4.27Å; P62-L65 HydrophobicContact CG-CD1 4.11Å; P62-L65 PolarHBondContact O-N 3.04Å; A63-L65 VanDerWaalsContact C-N 3.27Å; A63-L65 PolarHBondContact O-N 2.95Å
66F86Confident77.4Confident6 Ų695.3 Ų95.33%0.02652%0.519CS..Hα-helixtrans-106.1-24-173.1-55.3-78.4000113.2F52 F61 A63 T64 D68 R69 V70 D85 T88 I89 L92F52-F66 HydrophobicContact CD2-CB 3.71Å; F52-F66 HydrophobicContact CE2-CB 3.74Å; F61-F66 HydrophobicContact CE1-CD2 4.21Å; F61-F66 AromaticContact CZ-CD2 3.96Å; F61-F66 HydrophobicContact CZ-CD2 3.96Å; F61-F66 AromaticContact CZ-CE2 3.98Å; F61-F66 HydrophobicContact CZ-CE2 3.98Å; A63-F66 PolarHBondContact O-N 3.19Å; T64-F66 VanDerWaalsContact C-N 3.31Å; T64-F66 PolarHBondContact O-N 3.35Å; F66-D68 VanDerWaalsContact C-N 3.3Å; F66-D68 PolarHBondContact O-N 3.07Å; F66-D68 VanDerWaalsContact O-N 3.13Å; F66-R69 PolarHBondContact O-N 2.83Å; F66-R69 VanDerWaalsContact O-N 3.08Å; F66-V70 HydrophobicContact CB-CG2 4.06Å; F66-V70 WeakPolarHBondContact O-CB 3.37Å; F66-V70 VanDerWaalsContact O-CG2 3.31Å; F66-V70 WeakPolarHBondContact O-CG2 3.44Å; F66-V70 PolarHBondContact O-N 3.17Å; F66-D85 HydrophobicContact CD1-CB 4.33Å; F66-D85 HydrophobicContact CE1-CB 4.48Å; F66-T88 HydrophobicContact CE1-CG2 4.23Å; F66-T88 HydrophobicContact CZ-CG2 3.8Å; F66-I89 HydrophobicContact CB-CD1 4.42Å; F66-I89 HydrophobicContact CD1-CD1 3.94Å; F66-I89 HydrophobicContact CD1-CG1 3.83Å; F66-I89 HydrophobicContact CD2-CG1 4.03Å; F66-I89 HydrophobicContact CE1-CD1 4.38Å; F66-I89 HydrophobicContact CE1-CG1 3.81Å; F66-I89 HydrophobicContact CE2-CG1 4.02Å; F66-I89 HydrophobicContact CG-CD1 4.05Å; F66-I89 HydrophobicContact CG-CG1 3.94Å; F66-I89 HydrophobicContact CZ-CG1 3.91Å; F66-L92 HydrophobicContact CE2-CD1 3.67Å; F66-L92 HydrophobicContact CZ-CD1 3.79Å
67R82.5Confident76.7Confident158 Ų15894.5 Ų94.560%0.59651%0.51SS*.Hα-helixtrans-48.5-45.5-172.8-174.4-178.769.3-157.1-1.1114.3F52 A63 S71F52-R67 HydrophobicContact CZ-CB 3.94Å; F52-R67 HydrophobicContact CZ-CG 4.43Å; A63-R67 WeakPolarHBondContact O-CB 3.32Å; A63-R67 PolarHBondContact O-N 3.19Å; R67-S71 WeakPolarHBondContact O-CB 3.49Å; R67-S71 PolarHBondContact O-N 3.08Å; R67-S71 PolarHBondContact O-OG 3.18Å
68D78.8Confident76.7Confident122 Ų12286.9 Ų86.965%0.65249%0.49SS*.Hα-helixtrans-68-53.3179-174.666.8000111.1F66 V70 S71 T72F66-D68 VanDerWaalsContact C-N 3.3Å; F66-D68 PolarHBondContact O-N 3.07Å; F66-D68 VanDerWaalsContact O-N 3.13Å; D68-V70 PolarHBondContact O-N 3.4Å; D68-S71 PolarHBondContact O-N 3.41Å; D68-T72 PolarHBondContact O-N 2.9Å
69R80.1Confident76.7Confident132 Ų13287 Ų8750%0.49849%0.494SS..Hα-helixtrans-60.9-28.4-179.8-49.2-178.6178.7178.8-0.2113.7R48 F66 T72 D85R48-R69 VanDerWaalsContact CZ-O 3.24Å; R48-R69 PolarHBondContact NH1-O 3.02Å; R48-R69 PolarHBondContact NH2-O 3.45Å; F66-R69 PolarHBondContact O-N 2.83Å; F66-R69 VanDerWaalsContact O-N 3.08Å; R69-T72 PolarHBondContact O-OG1 3.05Å; R69-D85 IonicContact CZ-OD1 3.08Å; R69-D85 IonicContact NH1-OD1 3.97Å; R69-D85 PolarHBondContact NH1-OD1 3.3Å
70V79.9Confident77.3Confident30 Ų3084.7 Ų84.718%0.18247%0.473CS..Hα-helixtrans-85-24.6178.1176.80000111.6R48 F52 F66 D68R48-V70 HydrophobicContact CG-CG2 4.24Å; F52-V70 HydrophobicContact CB-CG1 4.1Å; F52-V70 HydrophobicContact CB-CG2 4.18Å; F52-V70 HydrophobicContact CD1-CB 4.24Å; F52-V70 HydrophobicContact CD1-CG1 3.81Å; F52-V70 HydrophobicContact CD1-CG2 4.49Å; F52-V70 HydrophobicContact CD2-CG2 4.32Å; F52-V70 HydrophobicContact CG-CB 4.32Å; F52-V70 HydrophobicContact CG-CG1 4.06Å; F52-V70 HydrophobicContact CG-CG2 4.06Å; F66-V70 HydrophobicContact CB-CG2 4.06Å; F66-V70 WeakPolarHBondContact O-CB 3.37Å; F66-V70 VanDerWaalsContact O-CG2 3.31Å; F66-V70 WeakPolarHBondContact O-CG2 3.44Å; F66-V70 PolarHBondContact O-N 3.17Å; D68-V70 PolarHBondContact O-N 3.4Å
71S68.3Low77.6Confident88 Ų8881.4 Ų81.462%0.61546%0.455SS*.Hα-helixtrans-79.5-15.8177.7-60.50000114R67 D68 R73R67-S71 WeakPolarHBondContact O-CB 3.49Å; R67-S71 PolarHBondContact O-N 3.08Å; R67-S71 PolarHBondContact O-OG 3.18Å; D68-S71 PolarHBondContact O-N 3.41Å; S71-R73 PolarHBondContact O-N 2.74Å
72T64.6Low77.6Confident56 Ų5680.9 Ų80.934%0.34445%0.453SS..  trans-73.784.3-179.646.30000112.1D68 R69 G74D68-T72 PolarHBondContact O-N 2.9Å; R69-T72 PolarHBondContact O-OG1 3.05Å; T72-G74 PolarHBondContact O-N 2.82Å
73R56.2Low77.9Confident242 Ų24278.7 Ų78.791%0.91344%0.439SS*.  trans-6484.8-176.7-166.6179.1-172.5179.43.4113.4S71 Q75S71-R73 PolarHBondContact O-N 2.74Å; R73-Q75 PolarHBondContact O-N 3.42Å
74G57.5Low78.2Confident64 Ų6478.7 Ų78.766%0.6644%0.439SS*.SBendtrans81.39.3162.600000117T72T72-G74 PolarHBondContact O-N 2.82Å
75Q54.9Low78.5Confident178 Ų17874.5 Ų74.583%0.83241%0.413SS*.SBendtrans-108.6105-179.3-64.1-171.9-66.100111.4R73R73-Q75 PolarHBondContact O-N 3.42Å
76G61.8Low78.9Confident83 Ų8369.4 Ų69.486%0.85639%0.386SS*.SBendtrans84.24.5171.900000116.6S78G76-S78 PolarHBondContact O-N 3.34Å
77L73.5Confident79.2Confident39 Ų3969.1 Ų69.120%0.20439%0.385CS..  trans-69.5117.6176.6-66.4-179.9000111.1V45 V82V45-L77 HydrophobicContact CG2-CD1 4Å; L77-V82 HydrophobicContact CB-CG2 3.85Å; L77-V82 HydrophobicContact CD1-CG2 4.2Å; L77-V82 HydrophobicContact CG-CG2 4.43Å
78S86.5Confident79.6Confident59 Ų5963.8 Ų63.841%0.41337%0.37SS..  trans-81143170.865.30000110.5G76 I80 G81 V82G76-S78 PolarHBondContact O-N 3.34Å; S78-I80 PolarHBondContact O-N 3.47Å; S78-G81 PolarHBondContact O-N 3.11Å; S78-G81 PolarHBondContact OG-N 3.24Å; S78-V82 WeakPolarHBondContact O-CG2 3.34Å; S78-V82 PolarHBondContact O-N 2.94Å
79P85.9Confident80.2Confident56 Ų5658 Ų5836%0.36434%0.339SS..Hα-helixtrans-61.5-33-179.124.1-33.7000112.2L41 A83L41-P79 HydrophobicContact CD1-CB 4.11Å; P79-A83 WeakPolarHBondContact O-CB 3.35Å; P79-A83 PolarHBondContact O-N 3Å
80I89.9Confident80.7Confident79 Ų7952.9 Ų52.941%0.40532%0.321SS..Hα-helixtrans-67.5-34.2173.9-167.666.4000112.8C32 S78 A84C32-I80 HydrophobicContact CB-CD1 3.71Å; S78-I80 PolarHBondContact O-N 3.47Å; I80-A84 VanDerWaalsContact O-CB 3.3Å; I80-A84 WeakPolarHBondContact O-CB 3.47Å; I80-A84 PolarHBondContact O-N 2.87Å
81G89.8Confident81.2Confident25 Ų2553.4 Ų53.426%0.25832%0.322SS..Hα-helixtrans-73.5-40.6175.400000112.4S78 A84 D85S78-G81 PolarHBondContact O-N 3.11Å; S78-G81 PolarHBondContact OG-N 3.24Å; G81-A84 PolarHBondContact O-N 2.98Å; G81-D85 PolarHBondContact O-N 3.11Å
82V91.4Very high82.2Confident1 Ų151.6 Ų51.61%0.00631%0.305CS..Hα-helixtrans-62.1-45.8172.61770000110.2L41 L44 V45 R48 L77 S78 A84 D85 I86L41-V82 HydrophobicContact CD1-CB 4.42Å; L41-V82 HydrophobicContact CD1-CG2 3.95Å; L44-V82 HydrophobicContact CB-CG1 3.62Å; V45-V82 HydrophobicContact CG2-CG1 4.1Å; V45-V82 HydrophobicContact CG2-CG2 4.03Å; R48-V82 HydrophobicContact CB-CG1 4.31Å; L77-V82 HydrophobicContact CB-CG2 3.85Å; L77-V82 HydrophobicContact CD1-CG2 4.2Å; L77-V82 HydrophobicContact CG-CG2 4.43Å; S78-V82 WeakPolarHBondContact O-CG2 3.34Å; S78-V82 PolarHBondContact O-N 2.94Å; V82-A84 PolarHBondContact O-N 3.19Å; V82-D85 PolarHBondContact O-N 2.99Å; V82-I86 HydrophobicContact CG1-CD1 3.98Å; V82-I86 WeakPolarHBondContact O-CD1 3.25Å; V82-I86 VanDerWaalsContact O-CG1 3.24Å; V82-I86 WeakPolarHBondContact O-CG1 3.27Å; V82-I86 PolarHBondContact O-N 2.92Å
83A92.3Very high83.2Confident0 Ų051.6 Ų51.60%030%0.303CS..Hα-helixtrans-60.6-41.6173.500000112.8C32 V35 P79 I86 V87C32-A83 WeakPolarHBondContact O-CB 3.3Å; V35-A83 HydrophobicContact CB-CB 4.01Å; V35-A83 HydrophobicContact CG1-CB 3.75Å; P79-A83 WeakPolarHBondContact O-CB 3.35Å; P79-A83 PolarHBondContact O-N 3Å; A83-I86 WeakPolarHBondContact O-CB 3.28Å; A83-I86 PolarHBondContact O-N 3.39Å; A83-V87 VanDerWaalsContact O-CG2 3.31Å; A83-V87 WeakPolarHBondContact O-CG2 3.03Å; A83-V87 PolarHBondContact O-N 2.97Å
84A92.4Very high84.4Confident26 Ų2642.9 Ų42.922%0.21527%0.272CS..Hα-helixtrans-63.8-44176.800000112.8F28 C32 I80 G81 V82 T88F28-A84 HydrophobicContact CZ-CB 4.15Å; C32-A84 VanDerWaalsContact SG-CA 3.51Å; I80-A84 VanDerWaalsContact O-CB 3.3Å; I80-A84 WeakPolarHBondContact O-CB 3.47Å; I80-A84 PolarHBondContact O-N 2.87Å; G81-A84 PolarHBondContact O-N 2.98Å; V82-A84 PolarHBondContact O-N 3.19Å; A84-T88 VanDerWaalsContact O-CB 3.3Å; A84-T88 WeakPolarHBondContact O-CB 3.44Å; A84-T88 PolarHBondContact O-N 3.16Å; A84-T88 PolarHBondContact O-OG1 3.21Å
85D91.9Very high85Confident13 Ų1346.8 Ų46.87%0.0728%0.275CS..Hα-helixtrans-65.2-38.7173.7-73.7-38.2000111.2R48 F66 R69 G81 V82 T88 I89R48-D85 HydrophobicContact CG-CB 4.49Å; R48-D85 IonicContact CZ-OD2 3.35Å; R48-D85 VanDerWaalsContact NE-CB 3.3Å; R48-D85 IonicContact NE-OD2 3.52Å; R48-D85 PolarHBondContact NE-OD2 3.49Å; R48-D85 IonicContact NH2-OD2 2.74Å; R48-D85 PolarHBondContact NH2-OD2 2.8Å; F66-D85 HydrophobicContact CD1-CB 4.33Å; F66-D85 HydrophobicContact CE1-CB 4.48Å; R69-D85 IonicContact CZ-OD1 3.08Å; R69-D85 IonicContact NH1-OD1 3.97Å; R69-D85 PolarHBondContact NH1-OD1 3.3Å; G81-D85 PolarHBondContact O-N 3.11Å; V82-D85 PolarHBondContact O-N 2.99Å; D85-T88 PolarHBondContact O-N 3.31Å; D85-I89 WeakPolarHBondContact O-CB 3.46Å; D85-I89 WeakPolarHBondContact O-CD1 3.45Å; D85-I89 WeakPolarHBondContact O-CG1 3.31Å; D85-I89 PolarHBondContact O-N 3.33Å
86I92.3Very high85.4Confident0 Ų040.6 Ų40.60%025%0.25CC..Hα-helixtrans-58.2-54.7173.6-72.1160.6000111.2L19 L44 L47 R48 L51 V82 A83 T88 I89 F90L19-I86 HydrophobicContact CD1-CG2 3.78Å; L44-I86 HydrophobicContact CB-CD1 3.97Å; L44-I86 HydrophobicContact CD2-CD1 3.75Å; L44-I86 HydrophobicContact CG-CD1 4.45Å; L44-I86 WeakPolarHBondContact O-CD1 3.41Å; L47-I86 HydrophobicContact CB-CD1 4.43Å; L47-I86 HydrophobicContact CD2-CD1 4.14Å; L47-I86 HydrophobicContact CD2-CG2 4.01Å; L47-I86 HydrophobicContact CG-CD1 4.33Å; L47-I86 HydrophobicContact CG-CG1 4.45Å; L47-I86 HydrophobicContact CG-CG2 4.43Å; R48-I86 HydrophobicContact CB-CD1 4.19Å; R48-I86 HydrophobicContact CB-CG1 3.7Å; R48-I86 HydrophobicContact CG-CG1 4.2Å; L51-I86 HydrophobicContact CD1-CB 4.4Å; L51-I86 HydrophobicContact CD1-CG1 4.43Å; L51-I86 HydrophobicContact CD1-CG2 3.81Å; V82-I86 HydrophobicContact CG1-CD1 3.98Å; V82-I86 WeakPolarHBondContact O-CD1 3.25Å; V82-I86 VanDerWaalsContact O-CG1 3.24Å; V82-I86 WeakPolarHBondContact O-CG1 3.27Å; V82-I86 PolarHBondContact O-N 2.92Å; A83-I86 WeakPolarHBondContact O-CB 3.28Å; A83-I86 PolarHBondContact O-N 3.39Å; I86-T88 VanDerWaalsContact C-N 3.26Å; I86-T88 PolarHBondContact O-N 3.03Å; I86-I89 PolarHBondContact O-N 3.42Å; I86-F90 VanDerWaalsContact O-CB 3.24Å; I86-F90 WeakPolarHBondContact O-CB 3.46Å; I86-F90 PolarHBondContact O-N 2.84Å
87V91.8Very high85.2Confident0 Ų039 Ų390%023%0.233CC..Hα-helixtrans-62.8-36.2-178.8176.40000110.5L19 F28 L31 A83 N91L19-V87 HydrophobicContact CD1-CG2 4.01Å; L19-V87 HydrophobicContact CD2-CG2 4.32Å; L19-V87 HydrophobicContact CG-CG2 4.35Å; F28-V87 HydrophobicContact CD2-CB 4.37Å; F28-V87 HydrophobicContact CD2-CG1 3.56Å; F28-V87 HydrophobicContact CE2-CB 3.95Å; F28-V87 HydrophobicContact CE2-CG1 3.61Å; L31-V87 HydrophobicContact CB-CG1 4.4Å; L31-V87 HydrophobicContact CB-CG2 4.25Å; L31-V87 HydrophobicContact CD1-CG1 4.39Å; A83-V87 VanDerWaalsContact O-CG2 3.31Å; A83-V87 WeakPolarHBondContact O-CG2 3.03Å; A83-V87 PolarHBondContact O-N 2.97Å; V87-N91 VanDerWaalsContact O-CB 3.26Å; V87-N91 WeakPolarHBondContact O-CB 3.23Å; V87-N91 PolarHBondContact O-N 2.68Å; V87-N91 PolarHBondContact O-ND2 3.21Å
88T91.6Very high83.9Confident47 Ų4740.1 Ų40.129%0.28825%0.254SS..Hα-helixtrans-69.3-47176.8-51.30000111.9F66 A84 D85 I86 F90 N91 L92F66-T88 HydrophobicContact CE1-CG2 4.23Å; F66-T88 HydrophobicContact CZ-CG2 3.8Å; A84-T88 VanDerWaalsContact O-CB 3.3Å; A84-T88 WeakPolarHBondContact O-CB 3.44Å; A84-T88 PolarHBondContact O-N 3.16Å; A84-T88 PolarHBondContact O-OG1 3.21Å; D85-T88 PolarHBondContact O-N 3.31Å; I86-T88 VanDerWaalsContact C-N 3.26Å; I86-T88 PolarHBondContact O-N 3.03Å; T88-F90 VanDerWaalsContact C-N 3.35Å; T88-F90 PolarHBondContact O-N 3.38Å; T88-N91 PolarHBondContact O-N 3.22Å; T88-L92 HydrophobicContact CG2-CD1 4.18Å; T88-L92 WeakPolarHBondContact O-CB 3.38Å; T88-L92 WeakPolarHBondContact O-CG 3.26Å; T88-L92 PolarHBondContact O-N 3.01Å
89I91.8Very high81.8Confident0 Ų043.8 Ų43.80%027%0.274CS..Hα-helixtrans-60.7-45.8175.8-66.9163.5000109.9R48 L51 F52 A55 F61 F66 D85 I86 N91 L92 I93R48-I89 HydrophobicContact CG-CD1 4.45Å; L51-I89 HydrophobicContact CB-CG2 3.93Å; F52-I89 HydrophobicContact CB-CD1 4.42Å; A55-I89 HydrophobicContact CB-CG2 4.23Å; F61-I89 HydrophobicContact CE2-CG2 4.26Å; F61-I89 HydrophobicContact CZ-CB 4.46Å; F61-I89 HydrophobicContact CZ-CG1 4.2Å; F61-I89 HydrophobicContact CZ-CG2 3.95Å; F66-I89 HydrophobicContact CB-CD1 4.42Å; F66-I89 HydrophobicContact CD1-CD1 3.94Å; F66-I89 HydrophobicContact CD1-CG1 3.83Å; F66-I89 HydrophobicContact CD2-CG1 4.03Å; F66-I89 HydrophobicContact CE1-CD1 4.38Å; F66-I89 HydrophobicContact CE1-CG1 3.81Å; F66-I89 HydrophobicContact CE2-CG1 4.02Å; F66-I89 HydrophobicContact CG-CD1 4.05Å; F66-I89 HydrophobicContact CG-CG1 3.94Å; F66-I89 HydrophobicContact CZ-CG1 3.91Å; D85-I89 WeakPolarHBondContact O-CB 3.46Å; D85-I89 WeakPolarHBondContact O-CD1 3.45Å; D85-I89 WeakPolarHBondContact O-CG1 3.31Å; D85-I89 PolarHBondContact O-N 3.33Å; I86-I89 PolarHBondContact O-N 3.42Å; I89-N91 PolarHBondContact O-N 3.25Å; I89-L92 PolarHBondContact O-N 3.48Å; I89-I93 HydrophobicContact CG2-CD1 3.76Å; I89-I93 HydrophobicContact CG2-CG1 4.32Å; I89-I93 VanDerWaalsContact O-CG1 3.25Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.16Å
90F90.3Very high79.5Confident25 Ų2545.3 Ų45.311%0.1129%0.286CS..Hα-helixtrans-64-39.2178.3-176.6-110.6000113L16 L19 A20 I86 T88 Q94L16-F90 HydrophobicContact CD2-CD2 3.93Å; L16-F90 HydrophobicContact CD2-CE2 4.22Å; L19-F90 HydrophobicContact CD1-CD1 4.37Å; L19-F90 HydrophobicContact CD2-CD1 3.52Å; L19-F90 HydrophobicContact CD2-CE1 3.79Å; L19-F90 HydrophobicContact CD2-CG 4.48Å; L19-F90 HydrophobicContact CG-CD1 4.46Å; A20-F90 HydrophobicContact CB-CE1 4.27Å; A20-F90 HydrophobicContact CB-CZ 3.82Å; I86-F90 VanDerWaalsContact O-CB 3.24Å; I86-F90 WeakPolarHBondContact O-CB 3.46Å; I86-F90 PolarHBondContact O-N 2.84Å; T88-F90 VanDerWaalsContact C-N 3.35Å; T88-F90 PolarHBondContact O-N 3.38Å; F90-Q94 HydrophobicContact CZ-CG 4.48Å; F90-Q94 PolarHBondContact O-N 2.89Å; F90-Q94 VanDerWaalsContact O-N 3.17Å; F90-Q94 PolarHBondContact O-NE2 3.08Å
91N89.7Confident77.1Confident41 Ų4150.7 Ų50.722%0.21931%0.309CS..Hα-helixtrans-63.1-45.4172-81.7-31.9000111.6R23 V87 T88 I89 Q94 M95R23-N91 PolarHBondContact NE-OD1 2.92Å; R23-N91 PolarHBondContact NH2-OD1 2.98Å; V87-N91 VanDerWaalsContact O-CB 3.26Å; V87-N91 WeakPolarHBondContact O-CB 3.23Å; V87-N91 PolarHBondContact O-N 2.68Å; V87-N91 PolarHBondContact O-ND2 3.21Å; T88-N91 PolarHBondContact O-N 3.22Å; I89-N91 PolarHBondContact O-N 3.25Å; N91-Q94 PolarHBondContact O-N 3.26Å; N91-M95 WeakPolarHBondContact O-CG 3.21Å; N91-M95 PolarHBondContact O-N 3.13Å
92L89.3Confident74.2Confident49 Ų4953.7 Ų53.726%0.25733%0.326SS..Hα-helixtrans-62.2-46.1177.8-73.6167.1000111.8F61 P62 F66 T88 I89 Q94 M95 T96F61-L92 HydrophobicContact CD2-CB 4.27Å; F61-L92 HydrophobicContact CE2-CB 3.78Å; F61-L92 HydrophobicContact CE2-CD1 4.11Å; P62-L92 HydrophobicContact CG-CD1 4.05Å; P62-L92 HydrophobicContact CG-CD2 4.5Å; F66-L92 HydrophobicContact CE2-CD1 3.67Å; F66-L92 HydrophobicContact CZ-CD1 3.79Å; T88-L92 HydrophobicContact CG2-CD1 4.18Å; T88-L92 WeakPolarHBondContact O-CB 3.38Å; T88-L92 WeakPolarHBondContact O-CG 3.26Å; T88-L92 PolarHBondContact O-N 3.01Å; I89-L92 PolarHBondContact O-N 3.48Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 2.89Å; L92-M95 PolarHBondContact O-N 3.19Å; L92-M95 VanDerWaalsContact O-N 3.11Å; L92-T96 PolarHBondContact O-N 3.13Å; L92-T96 PolarHBondContact O-OG1 2.87Å
93I86.4Confident71.3Confident56 Ų5659.5 Ų59.529%0.28736%0.357SS..Hα-helixtrans-55.7-43.1175.6-66.7162.5000111L51 A55 F61 I89 G97L51-I93 HydrophobicContact CD2-CD1 3.86Å; A55-I93 HydrophobicContact CB-CD1 3.94Å; A55-I93 HydrophobicContact CB-CG1 3.82Å; F61-I93 HydrophobicContact CE2-CG1 4.5Å; I89-I93 HydrophobicContact CG2-CD1 3.76Å; I89-I93 HydrophobicContact CG2-CG1 4.32Å; I89-I93 VanDerWaalsContact O-CG1 3.25Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.16Å; I93-G97 WeakPolarHBondContact O-CA 3.28Å; I93-G97 PolarHBondContact O-N 3.16Å
94Q81.4Confident68.4Low60 Ų6068.3 Ų68.328%0.2840%0.398SS..Hα-helixtrans-69.8-33.8178.2-75.1164.899.100113.1R23 F90 N91 L92 G98R23-Q94 VanDerWaalsContact CD-OE1 3.32Å; R23-Q94 VanDerWaalsContact NH1-CD 3.29Å; F90-Q94 HydrophobicContact CZ-CG 4.48Å; F90-Q94 PolarHBondContact O-N 2.89Å; F90-Q94 VanDerWaalsContact O-N 3.17Å; F90-Q94 PolarHBondContact O-NE2 3.08Å; N91-Q94 PolarHBondContact O-N 3.26Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 2.89Å; Q94-G98 PolarHBondContact O-N 3.32Å
95M69.9Low65.8Low145 Ų14572.7 Ų72.771%0.71443%0.425SS*.Hα-helixtrans-69.5-40.9177.1-68.7-61.3-63.500111.6N91 L92N91-M95 WeakPolarHBondContact O-CG 3.21Å; N91-M95 PolarHBondContact O-N 3.13Å; L92-M95 PolarHBondContact O-N 3.19Å; L92-M95 VanDerWaalsContact O-N 3.11Å
96T63.2Low62.6Low49 Ų4981.3 Ų81.330%0.30147%0.467SS..Hα-helixtrans-77-38.2175.9-37.70000112D58 C60 L92 G98 V99D58-T96 VanDerWaalsContact OD2-CG2 3.27Å; D58-T96 WeakPolarHBondContact OD2-CG2 3.38Å; C60-T96 HydrophobicContact CB-CG2 3.79Å; L92-T96 PolarHBondContact O-N 3.13Å; L92-T96 PolarHBondContact O-OG1 2.87Å; T96-G98 PolarHBondContact O-N 2.84Å; T96-V99 PolarHBondContact O-N 2.75Å
97G57.3Low59.5Low48 Ų4891.3 Ų91.350%0.49551%0.505SS..Hα-helixtrans-67.4-13178.700000114.8I93 V99I93-G97 WeakPolarHBondContact O-CA 3.28Å; I93-G97 PolarHBondContact O-N 3.16Å; G97-V99 PolarHBondContact O-N 3.04Å; G97-V99 VanDerWaalsContact O-N 3.15Å
98G46.3Very low56.6Low64 Ų6496.4 Ų96.466%0.6655%0.547SS*.THydrogen-bonded Turntrans-65.3-6.817200000114.9Q94 T96Q94-G98 PolarHBondContact O-N 3.32Å; T96-G98 PolarHBondContact O-N 2.84Å
99V42.4Very low53.6Low135 Ų135101.5 Ų101.582%0.81857%0.567SS**THydrogen-bonded Turntrans-129.556.3178.2-166.10000110.8T96 G97T96-V99 PolarHBondContact O-N 2.75Å; G97-V99 PolarHBondContact O-N 3.04Å; G97-V99 VanDerWaalsContact O-N 3.15Å
100S38.5Very low50.6Low89 Ų89107.9 Ų107.962%0.62261%0.607SS**  trans-151.951.1171.7-155.50000114.7S102S100-S102 VanDerWaalsContact C-N 3.29Å; S100-S102 PolarHBondContact O-N 3.36Å
101E38.6Very low47.5Very low192 Ų192113.1 Ų113.190%0.89764%0.64SS**  trans-83.772.5162.7-92.2-67.5146.900110
102S28.6Very low44.7Very low88 Ų88118.1 Ų118.162%0.61567%0.665SS**  trans-15461.4176.354.70000114.7S100S100-S102 VanDerWaalsContact C-N 3.29Å; S100-S102 PolarHBondContact O-N 3.36Å
103N31.8Very low42.1Very low123 Ų123121.3 Ų121.366%0.65869%0.689SS**  trans50.791.2145.4-67-40.4000119.2
104Q31.3Very low39.4Very low184 Ų184125.5 Ų125.586%0.8672%0.717SS**  164148.1102.5-87.6-165.39.400113.9M106Q104-M106 PolarHBondContact O-N 2.92Å
105P36.8Very low36.9Very low119 Ų119129 Ų12977%0.77374%0.738SS**  trans-82.9106.9171.332.8-32000111.5R107P105-R107 VanDerWaalsContact C-N 3.35Å; P105-R107 PolarHBondContact O-N 3.34Å
106M25.7Very low35Very low193 Ų193130.3 Ų130.395%0.95174%0.742SS**  trans-72.284.9179.6-169.6169.8168.700112.2Q104 A108Q104-M106 PolarHBondContact O-N 2.92Å; M106-A108 PolarHBondContact O-N 2.82Å
107R27.5Very low33.2Very low211 Ų211133.6 Ų133.680%0.79677%0.767SS**  trans-59.4112.9178.2-171.3-177.9-160.31433.2110.9P105 Q109P105-R107 VanDerWaalsContact C-N 3.35Å; P105-R107 PolarHBondContact O-N 3.34Å; R107-Q109 PolarHBondContact O-N 3.45Å
108A30.9Very low32.5Very low107 Ų107137.4 Ų137.488%0.88478%0.783SS**  trans-68.3103.717200000109.9M106M106-A108 PolarHBondContact O-N 2.82Å
109Q27.3Very low31.5Very low153 Ų153137.9 Ų137.972%0.71579%0.788SS**  trans-116.6122.4178.1-162.6159.36.800109.9R107 V111R107-Q109 PolarHBondContact O-N 3.45Å; Q109-V111 PolarHBondContact O-N 2.86Å
110T30.2Very low31.5Very low135 Ų135136.8 Ų136.883%0.82878%0.784SS**  trans-68.3125.9-178.946.60000111.2
111V25.1Very low30.9Very low135 Ų135139.4 Ų139.482%0.81879%0.791SS**  trans-109.8121.7170.2179.50000109Q109Q109-V111 PolarHBondContact O-N 2.86Å
112I30.5Very low30.5Very low145 Ų145137.6 Ų137.674%0.74479%0.787SS**  trans-93.9133.1168.5-63.9173.5000107
113P34.8Very low30.8Very low117 Ų117139.1 Ų139.176%0.7679%0.794SS**  trans-77.9141.3178.132-34.4000111.7
114V29.7Very low30.5Very low144 Ų144136.5 Ų136.587%0.87380%0.796SS**  trans-132.7142.8163175.90000107.6
115D28.4Very low30.4Very low133 Ų133136.3 Ų136.371%0.71180%0.8SS**  trans-97172.9-159.7-143.2-22.1000114.7
116Q30.7Very low30Very low172 Ų172139.4 Ų139.480%0.80480%0.804SS**  trans-61.6155.4-173-58.1149.682.800115.6
117S25.8Very low30.7Very low118 Ų118134.9 Ų134.983%0.82579%0.789SS**  trans-155154.2139.260.20000111.4
118P40.8Very low30.8Very low129 Ų129132.9 Ų132.984%0.83879%0.793SS**  trans-133.2152-150.238.5-20.8000119.3
119G26.6Very low30.4Very low74 Ų74134.4 Ų134.476%0.76379%0.786SS**  trans84.4-177.2152.300000118.1
120P42.5Very low30.6Very low112 Ų112134.5 Ų134.573%0.72779%0.79SS**  cis-140.3164.1-1840.8-25.1000115.8
121N24.6Very low31.1Very low144 Ų144134.2 Ų134.277%0.7779%0.791SS**  trans64.8155.4150.4-68.7-14.4000119.3
122L31.7Very low31.2Very low154 Ų154131 Ų13181%0.80679%0.785SS**  cis-153.4-179.2-9.4-104.8166.4000107.3
123P35.3Very low31.1Very low120 Ų120134.3 Ų134.378%0.77979%0.788SS**  trans-118.7176.9-150.944.5-38.9000117.3
124G24.8Very low30.6Very low67 Ų67133.3 Ų133.369%0.69177%0.773SS**  trans134.8128.5140.800000116.8
125L29.5Very low30.5Very low181 Ų181136.2 Ų136.295%0.94877%0.769SS**  trans162105.4131.1-86.3171.1000112.5
126H28.2Very low30.5Very low183 Ų183134.7 Ų134.785%0.84778%0.775SS**  trans-94.2177.9150-97.2-71.1000108.1
127P39.9Very low30.2Very low98 Ų98132.1 Ų132.164%0.63678%0.776SS**  cis-130.9-176.7-7.440.6-25.4000113.8
128L29.1Very low30.3Very low170 Ų170132.9 Ų132.989%0.8978%0.775SS**  trans-163168.9132.2-113.5152000111.8
129N23.8Very low29.6Very low138 Ų138134.9 Ų134.974%0.73877%0.773SS**  trans-113.7155.1-158.5-67.1-68.5000115.7
130I31.3Very low29.5Very low155 Ų155137.6 Ų137.680%0.79577%0.769SS**  trans-44.9161.914816.7172.2000112.5
131P41Very low28.6Very low130 Ų130139.5 Ų139.584%0.84477%0.773SS**  cis-154.8-178.647.843.1-21.4000119.5
132G27.1Very low28.6Very low68 Ų68141.8 Ų141.870%0.70178%0.776SS**  trans156.8114.7164.200000111.4
133R27.3Very low28.3Very low213 Ų213140.6 Ų140.680%0.80478%0.781SS**  cis75.5122.729.5-150.4-178.8-166.7-98-11.6112
134E24.6Very low27.7Very low96 Ų96138.1 Ų138.145%0.44978%0.777SS.*  cis-150.7146.3-0.6-119.8164.4179.900109.9
135R27.9Very low27.9Very low206 Ų206146.4 Ų146.478%0.77779%0.788SS**  44.6114.1103.5-162.7-160.4-60115.85.8117.3
136A27.3Very low28.4Very low101 Ų101142.8 Ų142.884%0.83578%0.775SS**  trans-149.4143.4147.200000109.7
137S26.3Very low28.6Very low118 Ų118141 Ų14183%0.82577%0.77SS**  trans-153.6116.2179.1-178.90000111.6
138T27.2Very low28.1Very low134 Ų134141.1 Ų141.182%0.82277%0.766SS**  trans-170.5146.217743.60000107.2
139H25.1Very low28.1Very low170 Ų170140.2 Ų140.279%0.78776%0.757SS**  cis-155.1168.9-17.3-171.6-91.7000107
140I25.4Very low28.3Very low131 Ų131140.7 Ų140.767%0.67275%0.754SS**  trans-71.9139.5176.5-63.1155.8000110.4
141D23.3Very low28.4Very low152 Ų152139.8 Ų139.881%0.81375%0.75SS**  -165.8161.1124.5-116.8-41.5000116.8
142F24.6Very low28.2Very low192 Ų192140.1 Ų140.184%0.84274%0.744SS**  trans-85.5142.1-180-96.8-115.3000113.2
143S25.8Very low28.3Very low129 Ų129144.6 Ų144.690%0.90274%0.744SS**  trans-176164.7137.844.30000111.6
144G22.8Very low28.8Very low68 Ų68140.4 Ų140.470%0.70175%0.745SS**  trans-162.4172.3172.800000111.4
145R29.2Very low28.9Very low242 Ų242144.2 Ų144.291%0.91376%0.76SS**  trans69.4160.9-172.6-79.4-177-167.4-78.5-2.1112.5
146P39.8Very low28.8Very low105 Ų105138.9 Ų138.968%0.68275%0.754SS**  cis-146.917939.145.2-25.8000119.7
147I32.5Very low28.8Very low144 Ų144140.1 Ų140.174%0.73875%0.747SS**  trans67.3144.3151.7-73154.9000117.3
148D29.6Very low28.9Very low102 Ų102145 Ų14555%0.54575%0.749SS.*  cis-156.9151.5-35.3-103.4-35.3000107.1
149Q27.8Very low28.9Very low151 Ų151144.2 Ų144.271%0.70675%0.749SS**  41.9122.486.1-51.7-17692.100113.2
150H29.4Very low29Very low148 Ų148140.1 Ų140.169%0.68574%0.744SS**  -170.7152.462.1-80.5-76.6000107.1
151L32.9Very low29.2Very low135 Ų135145.6 Ų145.671%0.70776%0.757SS**  cis-152.9-174.31.5-104163.5000105.8
152L36.9Very low29.6Very low137 Ų137148 Ų14872%0.71776%0.76SS**  cis-144.9-159.911.7-138.5-176.8000108.8
153F29.2Very low29.8Very low162 Ų162150.5 Ų150.571%0.71176%0.763SS**  trans-139.3173.4175-61.3-92.3000109.2
154P37.6Very low29.8Very low125 Ų125147.6 Ų147.681%0.81275%0.754SS**  -123.4131.976.53.119.6000112.5
155K26.7Very low30.1Very low176 Ų176149.4 Ų149.477%0.76576%0.756SS**  70.79781.1-81.8-171.7171.2178.60115.9
156S24.7Very low30.6Very low94 Ų94145.4 Ų145.466%0.65775%0.752SS**  11.6148.7124.261.70000120.3
157N27.8Very low30.4Very low128 Ų128146.1 Ų146.168%0.68476%0.756SS**  -175146.1112-89.9-17.3000114.5
158Y28.1Very low31.2Very low220 Ų220145 Ų14586%0.86376%0.759SS**  trans33.9142.4140.3-67.8-103.3000120.4
159S27.9Very low31.1Very low118 Ų118147.6 Ų147.683%0.82577%0.773SS**  -166.8170.161.2-170.90000114.4
160A26.8Very low32Very low83 Ų83145.9 Ų145.969%0.68677%0.774SS**  trans-99-178167.900000112.6
161R29.4Very low32.2Very low247 Ų247146.8 Ų146.893%0.93278%0.783SS**  trans87.2148167.6-66.7-171.7167.2-141.8-1.7119.8
162K32Very low31.9Very low202 Ų202144.3 Ų144.388%0.87878%0.776SS**  trans-63.9133.3169-63.8176.3173.8-1790113.2
163R27.9Very low31.7Very low244 Ų244146.8 Ų146.892%0.92178%0.782SS**  -174.5150.7127.1-96.5-173.1-83.4-147.26.5105.2
164G26.6Very low31.7Very low69 Ų69145.2 Ų145.271%0.71179%0.785SS**  cis85.6122.242.500000109
165S29.4Very low31.2Very low105 Ų105144 Ų14473%0.73478%0.779SS**  cis-174.4165.21.646.10000110.9
166L38.8Very low31.4Very low158 Ų158140.5 Ų140.583%0.82778%0.778SS**  trans70.4147.3165.9-56.1174.6000119.5
167P37.3Very low32.9Very low120 Ų120141.5 Ų141.578%0.77978%0.782SS**  trans-119.3174.2131.237.2-28.1000111.3
168P47.6Very low34.4Very low122 Ų122140.3 Ų140.379%0.79278%0.781SS**  trans-116.7175.3-133.741.4-35.2000118.4
169D28.5Very low34.4Very low156 Ų156136 Ų13683%0.83478%0.777SS**  trans-64.4168.8174.4-53.5-56.5000114.8
170P46.4Very low34.5Very low114 Ų114141.1 Ų141.174%0.7478%0.779SS**  trans-131.7154.1148.640.7-29.4000115.7
171I33.6Very low34.7Very low168 Ų168142.2 Ų142.286%0.86278%0.777SS**  trans83.3123.5162.6-39.1-169.6000118.1
172S27.5Very low34.8Very low82 Ų82141.5 Ų141.557%0.57377%0.774SS**  trans-92.7159.7177.296.40000112.9
173F32Very low34.8Very low190 Ų190136.2 Ų136.283%0.83377%0.768SS**  -177.2138.8116.3-94.4-57.3000114.3
174V29.2Very low34.9Very low128 Ų128131.1 Ų131.178%0.77676%0.764SS**  trans70.899.1153.7-176.10000121.3
175S27.8Very low34.9Very low99 Ų99132.3 Ų132.369%0.69276%0.762SS**  60.4103.5124-144.60000124.6
176S30.1Very low35Very low104 Ų104136.1 Ų136.173%0.72777%0.765SS**  75153.4123.965.80000123
177P56.2Low34.6Very low114 Ų114135.5 Ų135.574%0.7476%0.763SS**  trans-113-154.6-167.947.8-35.5000111.4
178P58.3Low34.4Very low104 Ų104136.2 Ų136.268%0.67576%0.759SS**  cis-135.9-161.8-7.230.2-4.6000115
179T28.2Very low33.9Very low128 Ų128135.8 Ų135.879%0.78576%0.757SS**  trans106.1118.2150.3730000121.9
180R29.9Very low34Very low226 Ų226136.6 Ų136.685%0.85376%0.755SS**  75.4131.2122.5-155.9-164.8178.5161.81.2122.6
181T31.2Very low33.1Very low107 Ų107137.3 Ų137.366%0.65676%0.758SS**  trans84.3134.8148.2260000124.3
182R31.4Very low32.9Very low231 Ų231135.2 Ų135.287%0.87275%0.753SS**  trans74.1105.1144.4-74.8176.8174.3-169.8-3121.3
183A32.6Very low33.2Very low91 Ų91142 Ų14275%0.75277%0.767SS**  52.9167106.100000121.9
184V29.6Very low33Very low138 Ų138138.3 Ų138.384%0.83677%0.765SS**  trans78.9132.2176.7-176.60000113.3
185S27.1Very low32.9Very low93 Ų93143 Ų14365%0.6577%0.771SS**  cis-164.1-179.1-15.2-101.80000110.5
186F32.1Very low32.7Very low186 Ų186144 Ų14482%0.81678%0.777SS**  trans-13.7156.7151.4-62.2-91.3000118.1
187D30Very low32.5Very low145 Ų145144.4 Ų144.478%0.77578%0.78SS**  cis-159.3171.229.7-142.6-22.1000114
188L32.8Very low31.2Very low134 Ų134144 Ų14470%0.70278%0.78SS**  trans-130.1112.6173.9-175.572.6000112.1H190L188-H190 PolarHBondContact O-N 3.04Å
189P38.1Very low30.5Very low114 Ų114144.3 Ų144.374%0.7478%0.782SS**  trans-86.3111.1-174.432.2-33.7000113.8
190H29.6Very low30.6Very low173 Ų173145.8 Ų145.880%0.80179%0.785SS**  trans-83.8148.6151.5-69.1-83.5000109.8L188L188-H190 PolarHBondContact O-N 3.04Å
191T27.1Very low30.6Very low129 Ų129142.1 Ų142.179%0.79178%0.782SS**  trans-137.2120.8179.3129.10000111
192T30.6Very low30.6Very low123 Ų123143 Ų14376%0.75578%0.782SS**  trans-148.4125.5177.9-33.80000109.7
193Y33.2Very low30.5Very low225 Ų225137.6 Ų137.688%0.88277%0.767SS**  trans-158.2152.8173.9-86.6-65.4000109
194S28.6Very low30.9Very low113 Ų113140.3 Ų140.379%0.7977%0.774SS**  cis-146-176.69.652.20000113.5
195Y26.9Very low31.1Very low227 Ų227138.9 Ų138.989%0.8976%0.759SS**  trans-99.6170.9-165.2-106.8-106.4000115.7
196S22.6Very low31.4Very low119 Ų119142.2 Ų142.283%0.83276%0.762SS**  trans-144.6168147.3-163.80000112
197S27.2Very low31.4Very low112 Ų112140.6 Ų140.678%0.78376%0.762SS**  trans-85154-150.9-173.30000118.8
198S29.1Very low31.4Very low107 Ų107140.8 Ų140.875%0.74876%0.761SS**  trans-61176.5155.3-81.10000113.6
199P43.4Very low31.1Very low110 Ų110144 Ų14471%0.71477%0.765SS**  cis-143.4170.820.343.6-25.5000119.4
200N29.5Very low31Very low158 Ų158145.3 Ų145.385%0.84577%0.766SS**  -164.1154.8127-111.1-41.4000114.6
201L30.4Very low31.6Very low149 Ų149142.4 Ų142.478%0.7876%0.762SS**  trans-67.3175174.5-9770.7000113
202N31.6Very low32.2Very low125 Ų125144 Ų14467%0.66877%0.765SS**  cis179.4165.4-32.8-104.538.4000105.4
203E29.1Very low32.1Very low119 Ų119147.3 Ų147.356%0.55677%0.772SS**  cis-173142.7-19.7163.4173.4-144.800108.7M205E203-M205 HydrophobicContact CG-CG 4.18Å; E203-M205 WeakPolarHBondContact OE1-CE 3.44Å; E203-M205 WeakPolarHBondContact OE1-CG 3.47Å
204V40Very low32.3Very low147 Ų147142.5 Ų142.589%0.89177%0.766SS**  trans-137.8128.2148.8177.70000107.1
205M34.7Very low32.2Very low108 Ų108144.4 Ų144.453%0.53277%0.768SS.*  trans-83.7140.7-173.6-74.8-170.4-151.500113.7E203E203-M205 HydrophobicContact CG-CG 4.18Å; E203-M205 WeakPolarHBondContact OE1-CE 3.44Å; E203-M205 WeakPolarHBondContact OE1-CG 3.47Å
206K32.5Very low32.5Very low163 Ų163138.2 Ų138.271%0.70976%0.757SS**  trans63.9144.7138.3-62164.6-169.5163.20117
207N32.5Very low32.8Very low153 Ų153140.9 Ų140.982%0.81876%0.757SS**  cis-125.316126.2-71.3-72.1000114.8
208I29.1Very low32.9Very low148 Ų148140.3 Ų140.376%0.75975%0.753SS**  trans-129.5137.7176.5-60.5169.5000102.4
209Y27.5Very low32.9Very low201 Ų201140.6 Ų140.679%0.78876%0.755SS**  -174.6-173.767.6-157.2-148.7000112.5
210L35.6Very low32.3Very low143 Ų143138.7 Ų138.775%0.74976%0.755SS**  trans-96.9-161.3168-55.283.5000108.5
211P42.6Very low32.1Very low112 Ų112139.6 Ų139.673%0.72775%0.754SS**  cis-138.4-159.1-5.742.9-21.8000115.1
212L39.2Very low32.2Very low161 Ų161137.1 Ų137.184%0.84375%0.75SS**  trans-61.9144.1169.8-65.1145.2000113.3
213E29.4Very low32.1Very low193 Ų193136.3 Ų136.390%0.90276%0.76SS**  trans-143.2146.9143.2-70.4-165.3158.300109.9
214T36.4Very low31.9Very low125 Ų125135.6 Ų135.677%0.76778%0.775SS**  trans-140.2115.2169.650.90000109.3
215D27.9Very low31.3Very low153 Ų153136 Ų13682%0.81877%0.769SS**  trans-166.3153.6144.3-114.7-42.6000112.1
216S32.6Very low31Very low96 Ų96138.3 Ų138.367%0.67178%0.778SS**  trans21.4149.1139.7-49.60000120.2
217E28.8Very low30.8Very low175 Ų175135.7 Ų135.782%0.81878%0.775SS**  cis-172.1175.632.848.9-17873.800112.9
218S28.7Very low30.7Very low101 Ų101137.9 Ų137.971%0.70678%0.778SS**  trans76.2144.7148.3-1530000119.3
219S30.2Very low30.6Very low113 Ų113138.7 Ų138.779%0.7978%0.779SS**  cis-168.3162.5-18.9-90.10000111.8
220G29.6Very low30.6Very low70 Ų70133.8 Ų133.872%0.72278%0.78SS**  trans87.8158158.200000117.3
221E26.1Very low30.4Very low176 Ų176134.3 Ų134.382%0.82278%0.778SS**  cis-156.4173.7-9.5-169.745.1-95.700110.4
222S31.4Very low30.4Very low98 Ų98134.6 Ų134.669%0.68578%0.78SS**  trans-104.2140.5-151.2-48.20000117.8
223A30.5Very low29.7Very low107 Ų107129.8 Ų129.888%0.88477%0.77SS**  trans32.9124.9140.400000123.1
224A25.6Very low29.7Very low105 Ų105126.1 Ų126.187%0.86877%0.765SS**  trans-159.1-179.4150.100000110.9
225M26.2Very low29.3Very low155 Ų155125.3 Ų125.376%0.76477%0.765SS**  -164.7144.6-88.3179.257.7168.600110.3
226E29Very low29.5Very low157 Ų157123.7 Ų123.773%0.73476%0.76SS**  trans63.9155.8166.8-86.7-175.8-151.500118.4
227V27.6Very low29.6Very low107 Ų107126.8 Ų126.865%0.64877%0.769SS**  cis-163.5-178.4-19.279.70000111.3
228F29.9Very low29.6Very low200 Ų200127 Ų12788%0.87777%0.77SS**  trans102.5156.3166.9-78.3-57.3000120.5
229E28.3Very low30Very low164 Ų164130.3 Ų130.377%0.76677%0.772SS**  trans-151.4150.4-150.6-158.1-112.3-119.300111.1E231E229-E231 PolarHBondContact OE2-N 3.44Å
230A27.2Very low30.3Very low98 Ų98136.3 Ų136.381%0.8178%0.777SS**  trans-168.2106.216200000113.1
231E31Very low30.5Very low155 Ų155138.3 Ų138.372%0.72478%0.78SS**  trans-72.5175.4156.6-100.5-88.5112.100111.4E229E229-E231 PolarHBondContact OE2-N 3.44Å
232P42.2Very low30.7Very low118 Ų118133.4 Ų133.477%0.76677%0.77SS**  cis-130164.46.740.1-23.5000117.7
233G25.2Very low30.8Very low60 Ų60138.6 Ų138.662%0.61978%0.78SS**  trans-145.4-25.9-175.800000121.7
234S29.5Very low31.5Very low115 Ų115144.9 Ų144.980%0.80478%0.781SS**  trans67.6146176.281.40000120.8
235S28.8Very low32Very low109 Ų109148 Ų14876%0.76278%0.775SS**  trans67.8131.7150.8-174.40000119.5
236V31.5Very low32.4Very low118 Ų118146 Ų14672%0.71577%0.767SS**  cis-157.8166-2117.40000110.7
237D34.3Very low33Very low162 Ų162147.9 Ų147.987%0.86677%0.773SS**  trans67.6124.3169.4-76.5-26.2000121
238Q29.8Very low33.9Very low178 Ų178151.9 Ų151.983%0.83279%0.785SS**  trans-123.2164.6-163.9-173.1-169.451.800109.9
239K35.5Very low34Very low172 Ų172149.1 Ų149.175%0.74878%0.779SS**  trans110.489.8138.9-152.9168.7-170.7171.50117.3
240R37.7Very low34.4Very low239 Ų239150.2 Ų150.290%0.90278%0.784SS**  trans-117.1152.2147-85.1-177.5169.7171.8-3.1109.7
241S33.5Very low34.9Very low112 Ų112150.7 Ų150.778%0.78378%0.779SS**  trans70.7160.6176.182.90000117
242A30.6Very low35.3Very low73 Ų73149.4 Ų149.460%0.60378%0.784SS**  trans59.2132.2-163.900000114.5
243F33.1Very low34.9Very low206 Ų206151.9 Ų151.990%0.90479%0.79SS**  cis-119.9153.513.5-81.7-99.9000113.5
244R45.4Very low35.3Very low240 Ų240155.8 Ų155.891%0.90680%0.795SS**  trans-95159.8157.8-156.2-175.9-164.9-164.96.1107.8
245K36.4Very low35.4Very low171 Ų171156.2 Ų156.274%0.74380%0.795SS**  trans98.3139.2159.8-143.9-168.4171.9-173.80116.4
246D34.3Very low35.3Very low111 Ų111158.6 Ų158.659%0.59479%0.794SS**  trans59108.1169.2-53.2-36.1000117.7
247F41.1Very low35.1Very low197 Ų197159.6 Ų159.686%0.86480%0.8SS**  179.690.8116.2-87.4-58000111.2
248H46.5Very low34.9Very low192 Ų192157.5 Ų157.589%0.88979%0.794SS**  trans-81.2111.5154.5-80.3-76.6000108.1
249N33.1Very low34.8Very low142 Ų142155.7 Ų155.776%0.75979%0.794SS**  trans-163.2132.1160.8-101.1-41.2000112.6
250Q34.9Very low34.2Very low187 Ų187152.9 Ų152.987%0.87480%0.796SS**  trans74.1152.7166.4-60.6-164.1-5.600119.6
251P39.4Very low33.7Very low107 Ų107146 Ų14670%0.69579%0.785SS**  trans-106.3167.4-161.941-34.1000114.5
252P37.9Very low33.4Very low128 Ų128148.7 Ų148.783%0.83179%0.785SS**PPolyproline II helixtrans-70.7143.2173.629.8-35.4000112.9
253L34Very low33.5Very low171 Ų171150.9 Ų150.990%0.89580%0.796SS**PPolyproline II helixtrans-85.8154.8176.8-74.8162.8000112.5
254I34.6Very low33.5Very low141 Ų141147 Ų14772%0.72379%0.792SS**PPolyproline II helixtrans-81.6130.2-177.8-61.1160.7000111.4Q256I254-Q256 HydrophobicContact CG2-CG 3.99Å
255P30.5Very low32.7Very low124 Ų124141 Ų14181%0.80579%0.786SS**PPolyproline II helixtrans-82.8123.3151.7-827000109.7
256Q27.2Very low33.2Very low160 Ų160137.2 Ų137.275%0.74878%0.779SS**PPolyproline II helixtrans-93.2137.8-179.5-57.8179.920.600111.3I254I254-Q256 HydrophobicContact CG2-CG 3.99Å
257V27.4Very low32.9Very low138 Ų138141.1 Ų141.184%0.83679%0.791SS**  trans-136.5119152.4-178.80000108
258T29.1Very low32.3Very low119 Ų119137.5 Ų137.573%0.7379%0.79SS**  trans-109.2136.1177.337.90000110.5
259V28.6Very low31.5Very low139 Ų139131.5 Ų131.584%0.84278%0.78SS**  trans-144.2115.7157.5-132.60000109.9
260S23.6Very low31.3Very low113 Ų113134.2 Ų134.279%0.7979%0.788SS**  trans-79.6173.9155-38.70000108.1
261S26.2Very low31Very low96 Ų96130.4 Ų130.467%0.67179%0.788SS**  cis-144.5-155.1-2.744.20000106.2
262E26.7Very low30.4Very low167 Ų167128.9 Ų128.978%0.7879%0.792SS**  cis-160.3174.25-153.5143.7112.400110
263S33.5Very low29.9Very low119 Ų119132.5 Ų132.583%0.83280%0.795SS**  trans-127.8126.9172.2-57.60000111.8
264P33.4Very low29.7Very low126 Ų126131 Ų13182%0.81879%0.788SS**  trans-125.2150.9159.636.1-24.5000114.4
265S27.5Very low29.6Very low112 Ų112130.1 Ų130.178%0.78379%0.785SS**  trans-140.2-170.2163.167.60000106.3
266P47.5Very low29.8Very low93 Ų93132.9 Ų132.960%0.60479%0.786SS**  cis-136.7-156.9-7.229.7-4.4000112.5
267K28.2Very low30Very low193 Ų193130 Ų13084%0.83978%0.784SS**  trans79.9149166.1-50.5163.7-172.8175.30114.6
268S28.8Very low30.4Very low120 Ų120133.6 Ų133.684%0.83979%0.789SS**  cis-167.2160.8-8.542.90000107.6
269G28.6Very low30.9Very low67 Ų67137.3 Ų137.369%0.69180%0.798SS**  cis168175.90.700000111
270H28.8Very low31.4Very low199 Ų199139 Ų13992%0.92180%0.798SS**  trans71.7116.2169.7-66.6-70.4000122.7
271A28.6Very low32.3Very low106 Ų106141 Ų14188%0.87680%0.799SS**  trans79.4118.4131.300000121.7
272G27.6Very low33.2Very low75 Ų75141.7 Ų141.777%0.77380%0.801SS**  trans170.2123.1163.600000111.1
273F28.3Very low33.9Very low205 Ų205139.1 Ų139.190%0.89979%0.793SS**  trans-76.4150.7161.3-78.9-114.6000107
274D29.6Very low34.5Very low138 Ų138138.7 Ų138.774%0.73879%0.787SS**  -166.8-17162.8-133.8-57.9000113.7
275N32.7Very low34.7Very low123 Ų123141.1 Ų141.166%0.65878%0.781SS**  trans-70.6148.8-173.9-66.2-97.7000114.9
276H33.8Very low35.2Very low182 Ų182142 Ų14284%0.84378%0.784SS**  178.5138.9120.4-90.5-57.8000114.6
277S32.4Very low34.7Very low99 Ų99142.1 Ų142.169%0.69279%0.787SS**  trans25.7118.3154.658.30000122.5
278F34.5Very low35.1Very low215 Ų215139 Ų13994%0.94379%0.787SS**  trans13.3102.3146.5-79.6-91000118.2M280F278-M280 PolarHBondContact O-N 3.33Å
279E39.3Very low35.3Very low196 Ų196139.9 Ų139.992%0.91679%0.787SS**  trans-76.8118161.4-74.8-168.6117.900112
280M40.3Very low35.5Very low174 Ų174141.1 Ų141.186%0.85779%0.791SS**  trans-8.6122.4152.3-168.7161.160.500117.4F278F278-M280 PolarHBondContact O-N 3.33Å
281I42.2Very low35.8Very low155 Ų155137.7 Ų137.780%0.79578%0.784SS**PPolyproline II helixtrans-63131.2165.7-59.1172.1000108.8
282P44.6Very low35.9Very low112 Ų112141.6 Ų141.673%0.72778%0.784SS**PPolyproline II helixtrans-70.2137.5179.228-34.5000112.2
283N40.7Very low36.3Very low112 Ų112143.6 Ų143.660%0.59978%0.781SS**PPolyproline II helixtrans-70.9126.1172.7179.725.9000110.2Y285N283-Y285 PolarHBondContact ND2-O 3.29Å; N283-Y285 PolarHBondContact O-N 3.16Å; N283-Y285 VanDerWaalsContact O-N 3.07Å
284P46.4Very low36.4Very low111 Ų111137.7 Ų137.772%0.72177%0.765SS**SBendtrans-72.96.1-176.428.7-36.4000115.7
285Y38.2Very low36.8Very low176 Ų176137 Ų13769%0.6977%0.768SS**SBendtrans-126132.1177.7-68.5-81.6000112N283N283-Y285 PolarHBondContact ND2-O 3.29Å; N283-Y285 PolarHBondContact O-N 3.16Å; N283-Y285 VanDerWaalsContact O-N 3.07Å
286P38.7Very low37.1Very low130 Ų130139.4 Ų139.484%0.84478%0.775SS**  trans-70.6140.9178.230.1-34.4000111.1
287S35.5Very low37.4Very low96 Ų96137.7 Ų137.767%0.67177%0.768SS**  trans-126.7143.8171.6-63.90000109
288P37.3Very low37.8Very low129 Ų129144.1 Ų144.184%0.83878%0.777SS**  trans-68147.6-169.126.4-34.8000113.3A290P288-A290 PolarHBondContact O-N 2.95Å
289T33Very low38.2Very low137 Ų137138.6 Ų138.684%0.8477%0.771SS**  trans-62.9109.2-170.2-49.60000113.6
290A33.4Very low38.1Very low94 Ų94138.8 Ų138.878%0.77777%0.769SS**PPolyproline II helixtrans-92.9124.6164.100000110.2P288P288-A290 PolarHBondContact O-N 2.95Å
291V34.7Very low38.1Very low127 Ų127134.8 Ų134.877%0.7776%0.763SS**PPolyproline II helixtrans-78.2145.2-176.51780000111.4
292H30.9Very low37.9Very low187 Ų187136 Ų13687%0.86676%0.763SS**PPolyproline II helixtrans-55.2135177.1-86.1-109.9000113.2
293V35Very low37.7Very low118 Ų118139.9 Ų139.972%0.71577%0.771SS**  trans-128.1134.8165-178.40000109.3
294S30.8Very low37.5Very low81 Ų81143.8 Ų143.857%0.56679%0.786SS**  trans-65.5144.6-175.1-179.40000112.9E296S294-E296 PolarHBondContact O-N 3.4Å
295P37.6Very low37Very low123 Ų123143.6 Ų143.680%0.79979%0.787SS**THydrogen-bonded Turntrans-68.41.9-173.627-36.5000116.4
296E39.3Very low37.1Very low173 Ų173144.9 Ų144.981%0.80880%0.796SS**THydrogen-bonded Turntrans-87.3-11.5-167.2-155157.2-155.400115.1S294S294-E296 PolarHBondContact O-N 3.4Å
297Q41.1Very low37.2Very low147 Ų147145.2 Ų145.269%0.68779%0.791SS**SBendtrans-93-13.5178.8-72.6178.3-3300114.6A299 K300Q297-A299 PolarHBondContact O-N 3.03Å; Q297-K300 PolarHBondContact O-N 3.35Å
298R40.6Very low37.4Very low233 Ų233148.2 Ų148.288%0.87980%0.8SS**THydrogen-bonded Turntrans-67-9.9-172.1-153.5177.5-173.7104.50.5114.5
299A42.1Very low37.6Very low100 Ų100149.5 Ų149.583%0.82680%0.799SS**THydrogen-bonded Turntrans-89.3-10.1-178.800000115.1Q297Q297-A299 PolarHBondContact O-N 3.03Å
300K38.6Very low37.9Very low199 Ų199151.4 Ų151.487%0.86580%0.798SS**THydrogen-bonded Turntrans-114.8-12.2-177.6-73.1-171.8176.1-177.60115.7Q297 K302Q297-K300 PolarHBondContact O-N 3.35Å; K300-K302 VanDerWaalsContact C-N 3.29Å; K300-K302 PolarHBondContact O-N 3.35Å
301A40Very low37.8Very low90 Ų90154.7 Ų154.774%0.74480%0.802SS**  trans-84.758-178.200000113.3
302K37.6Very low37.8Very low181 Ų181154.1 Ų154.179%0.78780%0.804SS**SBendtrans-144.1120168.7-68.8-170.3178.5-175.40109.4K300K300-K302 VanDerWaalsContact C-N 3.29Å; K300-K302 PolarHBondContact O-N 3.35Å
303H41.2Very low38.6Very low193 Ų193151.8 Ų151.889%0.89480%0.803SS**SBendtrans75.863.1-171.8-55.1-81.6000116.1
304E35.7Very low38.9Very low195 Ų195156.1 Ų156.191%0.91181%0.808SS**  trans-153.5165.8150.3-145.6150-14700108.1
305S35.3Very low39.2Very low106 Ų106161.4 Ų161.474%0.74182%0.821SS**  trans67.467.1-171.9-1590000115.6
306F41.2Very low38.9Very low203 Ų203158.9 Ų158.989%0.8982%0.817SS**SBend-112.6145124-137.7-89.1000104.8
307D40.8Very low39Very low137 Ų137157 Ų15773%0.73382%0.82SS**  trans57.4103.8-157.4-61.7-27.9000113.3
308D38.3Very low38.3Very low160 Ų160153.7 Ų153.786%0.85683%0.826SS**  -150.4136.6101.3-118.4-23.5000109.5
309L43.5Very low37.7Very low156 Ų156148.7 Ų148.782%0.81783%0.826SS**  trans-108.8143.2178.2-95.6167.1000109.2
310Q37.8Very low37.1Very low177 Ų177152.2 Ų152.283%0.82783%0.828SS**  trans78.6154.9171.1-36.7-148.4-85.700116.1
311D31.7Very low37.3Very low162 Ų162147.1 Ų147.187%0.86682%0.815SS**  trans60.3142.6-177.2-61.4-18.5000116.9
312S35.2Very low36.9Very low115 Ų115151.3 Ų151.380%0.80482%0.819SS**  cis-132.7143.519.450.70000113.6
313T47.1Very low36.8Very low139 Ų139147.7 Ų147.785%0.85381%0.814SS**PPolyproline II helixtrans-94.2161.6168.8-63.60000110.8
314Y40.9Very low36Very low209 Ų209143.7 Ų143.782%0.8281%0.808SS**PPolyproline II helixtrans-62.4164.9175.7-173.8-98.1000114.1
315F38.7Very low36.4Very low192 Ų192138.6 Ų138.684%0.84279%0.792SS**PPolyproline II helixtrans-61.1159.2-178.5-62.1-90.1000114
316G30.4Very low36.2Very low69 Ų69144.4 Ų144.471%0.71180%0.798SS**  cis162.5-161.45.900000109.1
317P40.4Very low35.7Very low133 Ų133141.9 Ų141.986%0.86479%0.789SS**  cis-127163.6-6.141.3-26.9000115.5
318G27Very low35.3Very low79 Ų79142 Ų14281%0.81479%0.788SS**  trans90.691.7136.800000121.9
319S29.2Very low34.9Very low127 Ų127143 Ų14389%0.88879%0.788SS**  trans-166.6154.3132.7470000112.6
320M29Very low35.4Very low174 Ų174140.4 Ų140.486%0.85778%0.78SS**  trans-118.9175.8178.9-76.8-90.9-77.200109
321P43.2Very low35.7Very low93 Ų93137 Ų13760%0.60477%0.774SS**  cis-135.5159.8-11.724.2-0.7000116.3
322E30.1Very low35.7Very low177 Ų177138.4 Ų138.483%0.82777%0.772SS**  59.3167.6129.7-160.9164.3-17000121.7
323P35.3Very low35.6Very low105 Ų105138.3 Ų138.368%0.68277%0.767SS**  cis-118.2161.3-40.631.7-16000116.2
324S24.7Very low34.8Very low110 Ų110140.6 Ų140.677%0.76977%0.768SS**  11.7169120.9-126.20000121.9
325P45.7Very low34.4Very low88 Ų88142.1 Ų142.157%0.57177%0.772SS**  cis-151.7-163.412.544.4-22.3000118.4
326R30.2Very low34Very low228 Ų228138 Ų13886%0.8677%0.773SS**  trans78.8148.8146.6-83178.4-137.8-168.47.3119.9
327H30.9Very low34.1Very low150 Ų150142 Ų14269%0.69478%0.776SS**  cis-170157.6-11.6-159-155.2000111.8
328L31.5Very low33.6Very low138 Ų138147.6 Ų147.672%0.72378%0.781SS**  trans60.9123166-58169.3000117.4
329Q29.8Very low33.7Very low183 Ų183147.8 Ų147.886%0.85577%0.769SS**  cis72.1151.932.5-105.6-142.42100115.7
330P55.2Low33.8Very low101 Ų101148.4 Ų148.466%0.65676%0.763SS**  -123.9-162.4-119.137.8-18.2000113.3
331P42.9Very low34.3Very low106 Ų106149.5 Ų149.569%0.68876%0.763SS**  -156.3164.797.340.8-22.1000118.4
332K32.7Very low33.8Very low191 Ų191150.1 Ų150.183%0.8377%0.769SS**  trans25.6153.2131.3-49.3174.7179.4171.10120.2
333T32.1Very low33.8Very low113 Ų113150.3 Ų150.369%0.69377%0.77SS**  cis-167.7157.835.2-28.70000114.2
334Q31.2Very low33.5Very low187 Ų187149.4 Ų149.487%0.87477%0.766SS**  trans75.9161.7144.8-99.7164.9-3.600121.7
335R33.1Very low33.8Very low241 Ų241151.8 Ų151.891%0.90977%0.769SS**  trans-124.8153.9-171.3-33.8169.7-170.4126.5-1.5109.6
336A28.7Very low33.2Very low104 Ų104154.8 Ų154.886%0.8678%0.776SS**  trans-150.6154.7150.100000110.3
337I32.8Very low33.2Very low153 Ų153149.7 Ų149.779%0.78577%0.766SS**  trans-128.9124.9179.3-63164.1000107.3
338W29.5Very low33.1Very low251 Ų251152.3 Ų152.395%0.95177%0.769SS**  trans-168.3-171.6138.8-111.3-45.5000112.9
339S30.8Very low33Very low83 Ų83153.6 Ų153.658%0.5878%0.775SS**  trans-142.7159.6-149.9600000115.6
340N31.4Very low32.8Very low140 Ų140148 Ų14875%0.74977%0.767SS**  trans77.4138.7146.5-76.5-41.8000122
341K39Very low31.5Very low198 Ų198151.6 Ų151.686%0.86178%0.779SS**  trans73.3120.3150.3-70.8171.9178.7-175.90120.6
342S32Very low30.8Very low106 Ų106149.8 Ų149.874%0.74178%0.779SS**  -176.1171.4118.454.30000108.3
343H30.2Very low30.5Very low180 Ų180146.2 Ų146.283%0.83378%0.778SS**  cis-145.7166.99.4-121.9-70.8000110.5
344S29.5Very low30.5Very low86 Ų86148.2 Ų148.260%0.60178%0.783SS**  trans-129.3155.5157.761.70000109.5
345L30.2Very low30.3Very low160 Ų160146.1 Ų146.184%0.83878%0.777SS**  177.2171.9127.6-112.9129.9000112.9
346E33Very low30.3Very low152 Ų152142 Ų14271%0.7177%0.773SS**  trans-99.5172.5-160.5-73.574.9-168.700117.9
347D29.7Very low30.1Very low121 Ų121140.4 Ų140.465%0.64777%0.766SS**  114.4100.3129.7-134.946.1000120.9
348R29.2Very low29.8Very low205 Ų205141.3 Ų141.377%0.77477%0.769SS**  trans79.8157136-76.3173.5-153.2-95.1-12.3125
349I30.6Very low29.7Very low165 Ų165137.5 Ų137.585%0.84676%0.762SS**  trans71.5124.5168.6-35.9-173.4000115.5
350G25.2Very low29.6Very low65 Ų65138.1 Ų138.167%0.6777%0.767SS**  cis164168.8-1100000114.6
351I28.4Very low29.3Very low177 Ų177139.7 Ų139.791%0.90877%0.769SS**  trans70.1125.2151-58.4165.2000118.8
352G27.4Very low28.5Very low67 Ų67136 Ų13669%0.69176%0.764SS**  trans109.2102.6-179.900000111.4
353S27.1Very low28.2Very low117 Ų117134.9 Ų134.982%0.81876%0.76SS**  cis66.7125.839.5-132.40000111.5
354I31.6Very low28Very low154 Ų154134.9 Ų134.979%0.7976%0.761SS**  cis-144.6162.432.844.7171.4000114.2
355D26.6Very low27.9Very low143 Ų143138.1 Ų138.177%0.76577%0.77SS**  trans-86.9171.6156.8174.739.2000110.5
356L33.5Very low28.6Very low156 Ų156135.6 Ų135.682%0.81776%0.764SS**  trans95.3137.6-164.4-79.763.6000113.8
357G24.8Very low28.2Very low70 Ų70139.5 Ų139.572%0.72277%0.772SS**  cis171.7-179-4.200000114.9E359G357-E359 PolarHBondContact O-N 2.9Å
358M25.5Very low27.9Very low172 Ų172144.3 Ų144.385%0.84778%0.781SS**  trans-20.8119.1163.8-68.6165.767.800114.5
359E28.8Very low27.9Very low171 Ų171138.4 Ų138.480%0.79977%0.771SS**  73.5111.690.4-168.2-160.8138.900113.5G357G357-E359 PolarHBondContact O-N 2.9Å
360S27.2Very low27.9Very low96 Ų96136.5 Ų136.567%0.67177%0.767SS**  trans-162.2134.1144.710000110.4
361Q25Very low28.7Very low173 Ų173139 Ų13981%0.80877%0.772SS**  49.8133.8127.5-55.9178.435.600118.6
362T23.3Very low28.6Very low121 Ų121136.5 Ų136.574%0.74276%0.764SS**  cis-170.3165.28.38.20000109.7
363A25.6Very low28.8Very low81 Ų81140.6 Ų140.667%0.66977%0.769SS**  trans62.7128.7141.100000121.9
364Q26.8Very low28.9Very low181 Ų181141 Ų14185%0.84677%0.772SS**  trans72.4120.1133.1-62.5-75.116.300121.1
365L27.1Very low28.7Very low153 Ų153137.1 Ų137.180%0.80177%0.77SS**  trans-66.8173143.5-59.4170000109.2
366P43.4Very low29Very low108 Ų108136.3 Ų136.370%0.70178%0.776SS**  cis-145.7-152.817.137.6-12.3000114.5
367R26.2Very low28.8Very low233 Ų233134.3 Ų134.388%0.87977%0.774SS**  trans91.2149.5166.1-62.6176.6174.9164.3-1.3117.2
368R23.5Very low28.9Very low223 Ų223134.6 Ų134.684%0.84278%0.777SS**  cis-171.3140-26.2-164.5-158.8-176.9-175.6-0.1110.1
369S29.2Very low29.1Very low80 Ų80130 Ų13056%0.55978%0.775SS**  trans51.7117.4148.360.40000124
370T30.7Very low29.1Very low125 Ų125131.5 Ų131.577%0.76778%0.781SS**  39.3146.1124.963.40000123.9
371P41.7Very low29.2Very low119 Ų119131.9 Ų131.977%0.77378%0.784SS**  -115.5149.1115.1-5.326.1000112.8
372V26.4Very low29.5Very low123 Ų123131.7 Ų131.775%0.74579%0.787SS**  70.8117.267.4179.10000112.3
373I31.5Very low29.8Very low153 Ų153133 Ų13379%0.78579%0.789SS**  cis103.3119.229.1-68.4169.3000114.1
374S28.5Very low30Very low126 Ų126134.4 Ų134.488%0.88180%0.795SS**  trans173.4148.8146.8-770000110.9
375G28.4Very low30Very low72 Ų72129.3 Ų129.374%0.74279%0.791SS**  cis164.7147.6-13.900000114.6
376S31.7Very low30.1Very low127 Ų127129.9 Ų129.989%0.88879%0.794SS**  trans66.3154.2166.3-91.50000119.1
377S30.6Very low30Very low113 Ų113130.7 Ų130.779%0.7980%0.799SS**  cis-161.1166.2-7.7-159.10000108.5
378G26.6Very low30.1Very low76 Ų76125 Ų12578%0.78480%0.795SS**  cis136.3102.3-900000114
379G28.5Very low30.3Very low77 Ų77118.2 Ų118.279%0.79479%0.794SS**  trans145.7149.1-179.700000111.3
380E30Very low30.3Very low201 Ų201118.2 Ų118.294%0.93981%0.807SS**  cis-156.5178.9-5.960.8-171.575.500112.7
381S28.8Very low30.4Very low105 Ų105119.1 Ų119.173%0.73481%0.807SS**  trans-78.7155-157.7107.80000117.5
382I30.6Very low29.9Very low168 Ų168121.1 Ų121.186%0.86280%0.803SS**  -159.4148.9124.5-102.7156.7000110.1
383D29.5Very low30.2Very low148 Ų148122.7 Ų122.779%0.79181%0.807SS**  trans-123.9144.6-176.3166.243.9000111.6
384S31.3Very low30.2Very low112 Ų112124.3 Ų124.378%0.78381%0.808SS**  trans-171.2116.1147.560.70000114.2
385G26.4Very low30.5Very low74 Ų74123.1 Ų123.176%0.76381%0.806SS**  trans94.987.1131.600000121.1
386L28.8Very low30.5Very low165 Ų165128.3 Ų128.386%0.86481%0.811SS**  trans-78.2158153.4-89.4163.4000110.8
387P41.4Very low30.5Very low124 Ų124126.9 Ų126.981%0.80581%0.807SS**  -151.8-168.766.536.7-13.7000115.6
388S27.7Very low30.8Very low114 Ų114127.8 Ų127.880%0.79781%0.808SS**  cis-175.4142.8-44.3-174.90000110.3
389G28.1Very low31Very low80 Ų80132.4 Ų132.483%0.82581%0.809SS**  trans80.1144.3174.800000115.2
390G29.4Very low31.3Very low80 Ų80135.2 Ų135.283%0.82581%0.811SS**  cis147.6142.60.100000109.5
391D33Very low31.2Very low145 Ų145132.6 Ų132.678%0.77580%0.803SS**  cis-1591713.2178.629.3000109.4
392K31.9Very low31.7Very low160 Ų160132.6 Ų132.670%0.69680%0.801SS**  trans86.4112.6161-61.8-166.4177.4171.50122.5
393L31.9Very low32.1Very low157 Ų157130.6 Ų130.682%0.82280%0.799SS**  trans73.4146.4135.1-58.6169.7000118.6
394K31.8Very low32.1Very low186 Ų186128.7 Ų128.781%0.80979%0.789SS**  cis-167155-18.2175.5177.9174.4-172.70109.1
395A34.4Very low32.7Very low101 Ų101129.1 Ų129.184%0.83579%0.789SS**  trans79153.4168.600000116.6
396Q29.2Very low33.5Very low181 Ų181135.2 Ų135.285%0.84679%0.789SS**  trans-139.6129.6-163178-179.62.900108
397A29.8Very low34Very low98 Ų98138.7 Ų138.781%0.8179%0.791SS**  trans-125.8125176.800000109.1Q399A397-Q399 PolarHBondContact O-N 3.25Å
398T38.3Very low33.9Very low131 Ų131141.1 Ų141.180%0.80480%0.796SS**  trans-86.5106.3-176.240.10000111.9
399Q29.4Very low34.6Very low173 Ų173146.5 Ų146.581%0.80880%0.798SS**  trans-31.4141.1159.5174.5-177.6-14.200115.4A397A397-Q399 PolarHBondContact O-N 3.25Å
400T35.4Very low35.1Very low136 Ų136148 Ų14883%0.83480%0.796SS**  trans-109.8158.4163.543.10000111.2
401D28.1Very low35.7Very low146 Ų146152.2 Ų152.278%0.78180%0.799SS**PPolyproline II helixtrans-95.4164.1-173-138.732.6000112.4
402P38.9Very low36.2Very low105 Ų105150.9 Ų150.968%0.68280%0.796SS**PPolyproline II helixtrans-92.4165-165.336.6-35.8000115.6
403P39.5Very low36.6Very low127 Ų127150.6 Ų150.683%0.82580%0.797SS**PPolyproline II helixtrans-90.7148.8-175.734.9-35.7000116.1
404D30.2Very low37Very low107 Ų107147 Ų14757%0.57279%0.789SS**PPolyproline II helixtrans-83.1127.3-179.4179.736.6000113.6R406D404-R406 PolarHBondContact O-N 3Å; D404-R406 IonicContact OD1-NE 2.8Å; D404-R406 WeakPolarHBondContact OD2-CD 3.48Å; D404-R406 IonicContact OD2-CZ 3.97Å; D404-R406 IonicContact OD2-NE 3.16Å; D404-R406 PolarHBondContact OD2-NE 3.47Å; D404-R406 IonicContact OD2-NH2 2.89Å
405P44.1Very low37.4Very low122 Ų122144.8 Ų144.879%0.79279%0.787SS**SBendtrans-81.278.9-172.332.5-38000114.4
406R42.5Very low37.7Very low202 Ų202150.8 Ų150.876%0.76279%0.788SS**  trans-124.1-6.2177-59.4-168.7-160.9-146.8-1.7118.1D404D404-R406 PolarHBondContact O-N 3Å; D404-R406 IonicContact OD1-NE 2.8Å; D404-R406 WeakPolarHBondContact OD2-CD 3.48Å; D404-R406 IonicContact OD2-CZ 3.97Å; D404-R406 IonicContact OD2-NE 3.16Å; D404-R406 PolarHBondContact OD2-NE 3.47Å; D404-R406 IonicContact OD2-NH2 2.89Å
407R39.4Very low38.2Very low238 Ų238148.5 Ų148.590%0.89878%0.781SS**  trans-86.9-5.6-175.1-64.4-171.999.4169.24.5116.2R409R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 2.85Å
408L38.6Very low38.6Very low174 Ų174147.4 Ų147.491%0.91177%0.767SS**THydrogen-bonded Turntrans-85.750.6-173.1-64.4178.7000115.3
409R43.4Very low38.6Very low227 Ų227149.6 Ų149.686%0.85777%0.766SS**THydrogen-bonded Turntrans-135.9-6.7168.2-88.6-170.4178.6142.93.2116.3R407R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 2.85Å
410S37Very low38.8Very low111 Ų111149.5 Ų149.578%0.77677%0.767SS**SBendtrans-83.9-8.8-176.1-1610000115.2
411L42.4Very low39Very low169 Ų169148.8 Ų148.889%0.88576%0.763SS**SBendtrans-103.620.1-164.1-151.871.6000114.7
412V43.7Very low39.5Very low118 Ų118146.4 Ų146.472%0.71576%0.758SS**SBendtrans-119-6.7-174.5-172.30000113
413H39.9Very low39.8Very low154 Ų154148.7 Ų148.771%0.71376%0.763SS**SBendtrans-108.9-6.4-175.7-74-64.2000115.9
414A40.3Very low39.8Very low80 Ų80150.4 Ų150.466%0.66177%0.766SS**SBendtrans-73.2-38.6176.200000112.8R416 L417A414-R416 PolarHBondContact O-N 3.06Å; A414-L417 PolarHBondContact O-N 2.78Å
415D40.4Very low39.8Very low141 Ų141152 Ų15275%0.75477%0.774SS**THydrogen-bonded Turntrans-75.710.9-165.6-155.942.4000115.2
416R40.1Very low40.1Very low227 Ų227152.3 Ų152.386%0.85778%0.776SS**THydrogen-bonded Turntrans-123.2-3.7177.5-90.5-169.9170.8-134.5-1.9115.2A414A414-R416 PolarHBondContact O-N 3.06Å
417L40.8Very low40.2Very low133 Ų133151 Ų15170%0.69678%0.779SS**THydrogen-bonded Turntrans-104.9-20.4178-66.3174.7000113A414 F419A414-L417 PolarHBondContact O-N 2.78Å; L417-F419 PolarHBondContact O-N 2.88Å
418S38.2Very low40.5Very low75 Ų75149.5 Ų149.552%0.52478%0.779SS.*THydrogen-bonded Turntrans-66.8-16.2174.950.80000114.7
419F37.6Very low41Very low177 Ų177144.6 Ų144.678%0.77677%0.771SS**THydrogen-bonded Turntrans-95.76-175.2-110.4-80.8000114.8L417L417-F419 PolarHBondContact O-N 2.88Å
420M35.1Very low41.8Very low171 Ų171142 Ų14284%0.84277%0.768SS**SBendtrans-130.416.7-176.6-79.3-160.769.100114.8
421T38.3Very low43.4Very low120 Ų120142 Ų14274%0.73676%0.76SS**SBendtrans-120.820.9179.668.70000113.3
422S39.6Very low45Very low97 Ų97140.4 Ų140.468%0.67875%0.752SS**SBendtrans-123.124.5-174.976.10000113.7
423L45.6Very low46.4Very low152 Ų152140 Ų14080%0.79675%0.745SS**SBendtrans-136.4142.8169.1-75.9171.4000107.5
424D39Very low48.3Very low164 Ų164135.9 Ų135.988%0.87773%0.733SS**SBendtrans6377.9178.5-53.2-31.2000117
425D30.3Very low50.2Low140 Ų140134.3 Ų134.375%0.74972%0.72SS**  -169.2124115.9-162.116.9000111.6
426P50.8Low52.1Low128 Ų128132.1 Ų132.183%0.83171%0.707SS**  trans-106.437.1-169.141.3-36.7000115.9
427E44.3Very low53.7Low175 Ų175127.4 Ų127.482%0.81869%0.693SS**  trans-128.19.9-174.2-147.5165.9-128.900117.4
428F44.4Very low55.8Low206 Ų206128.9 Ų128.990%0.90469%0.69SS**  trans-110.4115163.9-89.1-94.6000111.4
429G49Very low57.9Low72 Ų72131.6 Ų131.674%0.74269%0.692SS**PPolyproline II helixtrans-69.7127.8169.900000110.3D431G429-D431 PolarHBondContact O-N 3.45Å
430E61.1Low59.9Low172 Ų172127.5 Ų127.580%0.80468%0.678SS**PPolyproline II helixtrans-66.4121.6168.957.6-168.8162.500109.6D432E430-D432 PolarHBondContact O-N 3.46Å
431D70.3Confident61.8Low112 Ų112124.3 Ų124.360%0.59966%0.664SS**PPolyproline II helixtrans-60.4128.1174.7-78.3-56.6000109.6G429 I433 S434 A435G429-D431 PolarHBondContact O-N 3.45Å; D431-I433 PolarHBondContact O-N 3.45Å; D431-S434 WeakPolarHBondContact O-CA 3.41Å; D431-S434 WeakPolarHBondContact O-CB 3.34Å; D431-S434 PolarHBondContact O-N 3.23Å; D431-A435 PolarHBondContact O-N 3.17Å; D431-A435 VanDerWaalsContact O-N 3.14Å
432D77.4Confident63.7Low134 Ų134122.4 Ų122.472%0.71765%0.65SS**Hα-helixtrans-49.9-33.9175.5-67.7-56.6000111.7E430 A435 I436E430-D432 PolarHBondContact O-N 3.46Å; D432-A435 PolarHBondContact O-N 3.25Å; D432-I436 WeakPolarHBondContact O-CB 3.21Å; D432-I436 WeakPolarHBondContact O-CD1 3.47Å; D432-I436 WeakPolarHBondContact O-CG1 3.33Å; D432-I436 PolarHBondContact O-N 2.84Å
433I73.1Confident65.3Low110 Ų110122 Ų12256%0.56464%0.639SS**Hα-helixtrans-60.9-44.7176.6-61.3173.3000111.3D431 I436 F437D431-I433 PolarHBondContact O-N 3.45Å; I433-I436 PolarHBondContact O-N 3.37Å; I433-F437 HydrophobicContact CG2-CD2 3.83Å; I433-F437 HydrophobicContact CG2-CE2 3.53Å; I433-F437 WeakPolarHBondContact O-CD2 3.4Å; I433-F437 PolarHBondContact O-N 2.97Å
434S79.7Confident66.2Low68 Ų68118.9 Ų118.948%0.47663%0.63SS.*Hα-helixtrans-70.5-36.4178.7-62.60000111.7D431 F437 R438D431-S434 WeakPolarHBondContact O-CA 3.41Å; D431-S434 WeakPolarHBondContact O-CB 3.34Å; D431-S434 PolarHBondContact O-N 3.23Å; S434-F437 PolarHBondContact O-N 2.94Å; S434-R438 PolarHBondContact O-N 3.45Å
435A78.3Confident67.2Low46 Ų46118.7 Ų118.738%0.3863%0.626SS.*Hα-helixtrans-64.2-41.2171.500000111.8D431 D432 R438 F439D431-A435 PolarHBondContact O-N 3.17Å; D431-A435 VanDerWaalsContact O-N 3.14Å; D432-A435 PolarHBondContact O-N 3.25Å; A435-R438 PolarHBondContact O-N 3.07Å; A435-F439 WeakPolarHBondContact O-CB 3.22Å; A435-F439 PolarHBondContact O-N 3.12Å
436I81.8Confident68.2Low95 Ų95116.8 Ų116.849%0.48762%0.622SS.*Hα-helixtrans-63.2-44.9174.6-72162000111.4D432 I433 F439 L440D432-I436 WeakPolarHBondContact O-CB 3.21Å; D432-I436 WeakPolarHBondContact O-CD1 3.47Å; D432-I436 WeakPolarHBondContact O-CG1 3.33Å; D432-I436 PolarHBondContact O-N 2.84Å; I433-I436 PolarHBondContact O-N 3.37Å; I436-F439 PolarHBondContact O-N 3.01Å; I436-L440 HydrophobicContact CG2-CD1 3.88Å; I436-L440 HydrophobicContact CG2-CG 4.4Å; I436-L440 VanDerWaalsContact O-CG 3.3Å; I436-L440 WeakPolarHBondContact O-CG 3.2Å; I436-L440 PolarHBondContact O-N 3.02Å
437F73.4Confident68Low128 Ų128114 Ų11456%0.56162%0.616SS**Hα-helixtrans-62.4-45.6176.9-78.5-59.7000112I433 S434 F439 L440 D441I433-F437 HydrophobicContact CG2-CD2 3.83Å; I433-F437 HydrophobicContact CG2-CE2 3.53Å; I433-F437 WeakPolarHBondContact O-CD2 3.4Å; I433-F437 PolarHBondContact O-N 2.97Å; S434-F437 PolarHBondContact O-N 2.94Å; F437-F439 VanDerWaalsContact C-N 3.33Å; F437-F439 PolarHBondContact O-N 2.83Å; F437-L440 PolarHBondContact O-N 3.19Å; F437-D441 PolarHBondContact O-N 3.19Å
438R85.7Confident68.1Low164 Ų164110.8 Ų110.862%0.61961%0.614SS**Hα-helixtrans-57-44172.9-92.3-149.259.6-142.4-17.3113.1S434 A435 L440 D441 D442S434-R438 PolarHBondContact O-N 3.45Å; A435-R438 PolarHBondContact O-N 3.07Å; R438-L440 VanDerWaalsContact C-N 3.34Å; R438-L440 PolarHBondContact O-N 2.85Å; R438-D441 PolarHBondContact O-N 2.84Å; R438-D442 IonicContact CZ-OD2 3.68Å; R438-D442 IonicContact NE-OD2 2.65Å; R438-D442 IonicContact NH2-OD2 3.87Å; R438-D442 PolarHBondContact NH2-OD2 3.08Å; R438-D442 WeakPolarHBondContact O-CB 3.33Å; R438-D442 VanDerWaalsContact O-CG 3.3Å; R438-D442 PolarHBondContact O-N 3.37Å
439F80.5Confident68.4Low133 Ų133107.8 Ų107.858%0.58361%0.612SS**Hα-helixtrans-63.6-37.8177.4176.5-108.6000112.5A435 I436 F437 I443A435-F439 WeakPolarHBondContact O-CB 3.22Å; A435-F439 PolarHBondContact O-N 3.12Å; I436-F439 PolarHBondContact O-N 3.01Å; F437-F439 VanDerWaalsContact C-N 3.33Å; F437-F439 PolarHBondContact O-N 2.83Å; F439-I443 HydrophobicContact CD1-CD1 3.96Å; F439-I443 HydrophobicContact CD2-CD1 4.25Å; F439-I443 HydrophobicContact CE1-CD1 3.52Å; F439-I443 HydrophobicContact CE2-CD1 3.84Å; F439-I443 HydrophobicContact CG-CD1 4.32Å; F439-I443 HydrophobicContact CZ-CD1 3.46Å; F439-I443 VanDerWaalsContact CZ-CD1 3.46Å; F439-I443 WeakPolarHBondContact O-CB 3.38Å; F439-I443 VanDerWaalsContact O-CG1 3.31Å; F439-I443 WeakPolarHBondContact O-CG1 3.29Å; F439-I443 PolarHBondContact O-N 3.31Å
440L81Confident68.5Low90 Ų90107.7 Ų107.747%0.47161%0.611SS.*Hα-helixtrans-69.8-39.5175.5-70.2170.5000112.2I436 F437 R438 I443 S444I436-L440 HydrophobicContact CG2-CD1 3.88Å; I436-L440 HydrophobicContact CG2-CG 4.4Å; I436-L440 VanDerWaalsContact O-CG 3.3Å; I436-L440 WeakPolarHBondContact O-CG 3.2Å; I436-L440 PolarHBondContact O-N 3.02Å; F437-L440 PolarHBondContact O-N 3.19Å; R438-L440 VanDerWaalsContact C-N 3.34Å; R438-L440 PolarHBondContact O-N 2.85Å; L440-I443 PolarHBondContact O-N 2.82Å; L440-S444 VanDerWaalsContact O-CB 3.28Å; L440-S444 WeakPolarHBondContact O-CB 3.39Å; L440-S444 PolarHBondContact O-N 2.91Å
441D75.1Confident67.2Low104 Ų104105.6 Ų105.656%0.55661%0.61SS**Hα-helixtrans-66.3-44.8174.2-74.5-25.6000111.8F437 R438 I443 S444 M445F437-D441 PolarHBondContact O-N 3.19Å; R438-D441 PolarHBondContact O-N 2.84Å; D441-I443 VanDerWaalsContact C-N 3.26Å; D441-I443 PolarHBondContact O-N 3.18Å; D441-S444 WeakPolarHBondContact O-CB 3.49Å; D441-S444 PolarHBondContact O-N 3.25Å; D441-S444 VanDerWaalsContact O-N 3.15Å; D441-M445 WeakPolarHBondContact O-CB 3.37Å; D441-M445 VanDerWaalsContact O-CG 3.29Å; D441-M445 WeakPolarHBondContact O-CG 3.35Å; D441-M445 PolarHBondContact O-N 3Å
442D77.4Confident65.7Low81 Ų81108.6 Ų108.643%0.43363%0.625SS.*Hα-helixtrans-61.9-33.4176.4-75-34.4000111.4R438 C446R438-D442 IonicContact CZ-OD2 3.68Å; R438-D442 IonicContact NE-OD2 2.65Å; R438-D442 IonicContact NH2-OD2 3.87Å; R438-D442 PolarHBondContact NH2-OD2 3.08Å; R438-D442 WeakPolarHBondContact O-CB 3.33Å; R438-D442 VanDerWaalsContact O-CG 3.3Å; R438-D442 PolarHBondContact O-N 3.37Å; D442-C446 PolarHBondContact O-SG 2.89Å
443I72.8Confident63.5Low87 Ų87110 Ų11045%0.44663%0.627SS.*Hα-helixtrans-73.8-42.3171.3-75.7171.8000112.1F439 L440 D441 M445 C446 G447F439-I443 HydrophobicContact CD1-CD1 3.96Å; F439-I443 HydrophobicContact CD2-CD1 4.25Å; F439-I443 HydrophobicContact CE1-CD1 3.52Å; F439-I443 HydrophobicContact CE2-CD1 3.84Å; F439-I443 HydrophobicContact CG-CD1 4.32Å; F439-I443 HydrophobicContact CZ-CD1 3.46Å; F439-I443 VanDerWaalsContact CZ-CD1 3.46Å; F439-I443 WeakPolarHBondContact O-CB 3.38Å; F439-I443 VanDerWaalsContact O-CG1 3.31Å; F439-I443 WeakPolarHBondContact O-CG1 3.29Å; F439-I443 PolarHBondContact O-N 3.31Å; L440-I443 PolarHBondContact O-N 2.82Å; D441-I443 VanDerWaalsContact C-N 3.26Å; D441-I443 PolarHBondContact O-N 3.18Å; I443-M445 VanDerWaalsContact C-N 3.29Å; I443-M445 PolarHBondContact O-N 2.97Å; I443-C446 WeakPolarHBondContact O-CA 3.37Å; I443-C446 WeakPolarHBondContact O-CB 3.43Å; I443-C446 PolarHBondContact O-N 2.98Å; I443-G447 PolarHBondContact O-N 3.08Å
444S64.8Low61.8Low87 Ų87110.3 Ų110.361%0.60864%0.636SS**Hα-helixtrans-59.3-42.6179.5-168.70000111L440 D441 C446 G447L440-S444 VanDerWaalsContact O-CB 3.28Å; L440-S444 WeakPolarHBondContact O-CB 3.39Å; L440-S444 PolarHBondContact O-N 2.91Å; D441-S444 WeakPolarHBondContact O-CB 3.49Å; D441-S444 PolarHBondContact O-N 3.25Å; D441-S444 VanDerWaalsContact O-N 3.15Å; S444-C446 PolarHBondContact O-N 3.22Å; S444-G447 PolarHBondContact O-N 2.89Å; S444-G447 VanDerWaalsContact O-N 3.08Å
445M59.3Low59.5Low161 Ų161114 Ų11479%0.79365%0.65SS**Hα-helixtrans-59.2-30.1172.1-73.9-80.7-78.300113.4D441 I443 G447D441-M445 WeakPolarHBondContact O-CB 3.37Å; D441-M445 VanDerWaalsContact O-CG 3.29Å; D441-M445 WeakPolarHBondContact O-CG 3.35Å; D441-M445 PolarHBondContact O-N 3Å; I443-M445 VanDerWaalsContact C-N 3.29Å; I443-M445 PolarHBondContact O-N 2.97Å; M445-G447 VanDerWaalsContact C-N 3.34Å
446C51.2Low57.6Low99 Ų99119.9 Ų119.967%0.66968%0.676SS**Hα-helixtrans-80.4-10.3177.2-660000113.9D442 I443 S444 S448D442-C446 PolarHBondContact O-SG 2.89Å; I443-C446 WeakPolarHBondContact O-CA 3.37Å; I443-C446 WeakPolarHBondContact O-CB 3.43Å; I443-C446 PolarHBondContact O-N 2.98Å; S444-C446 PolarHBondContact O-N 3.22Å; C446-S448 VanDerWaalsContact C-N 3.3Å; C446-S448 PolarHBondContact O-N 2.67Å
447G47.9Very low55.2Low69 Ų69118.6 Ų118.671%0.71169%0.685SS**THydrogen-bonded Turntrans-73.7-10.1-173.400000116.2I443 S444 M445I443-G447 PolarHBondContact O-N 3.08Å; S444-G447 PolarHBondContact O-N 2.89Å; S444-G447 VanDerWaalsContact O-N 3.08Å; M445-G447 VanDerWaalsContact C-N 3.34Å
448S46.3Very low53.5Low109 Ų109119 Ų11976%0.76270%0.698SS**  trans-114.350.5-164.6-168.60000115.6C446C446-S448 VanDerWaalsContact C-N 3.3Å; C446-S448 PolarHBondContact O-N 2.67Å
449T51Low51.2Low143 Ų143115.9 Ų115.988%0.87770%0.702SS**  trans-119.758.5165.760.70000111.3
450G49.9Very low49.1Very low70 Ų70116.9 Ų116.972%0.72271%0.713SS**  trans-131.5-2.8-162.400000118.8
451V34.9Very low46.9Very low128 Ų128121.6 Ų121.678%0.77673%0.733SS**  trans-139105.8176-174.50000110.9
452L38.3Very low44.9Very low175 Ų175123.2 Ų123.292%0.91674%0.742SS**  trans-98.7111.6161.2-73.9177000108.6
453H31.5Very low43Very low163 Ų163124.3 Ų124.376%0.75575%0.752SS**  trans-74.3131.9168.7-123.3-92000109.2N455H453-N455 PolarHBondContact O-N 3.2Å
454P36.4Very low41.7Very low116 Ų116125.6 Ų125.675%0.75377%0.765SS**  trans-70.8128.8167.730.1-32.2000108.8
455N32.9Very low40.7Very low145 Ų145129.1 Ų129.178%0.77577%0.772SS**  trans-145.6101.1173.1-169.571.1000110.1H453 G457H453-N455 PolarHBondContact O-N 3.2Å; N455-G457 PolarHBondContact O-N 2.94Å
456D36.8Very low39.9Very low171 Ų171124.8 Ų124.891%0.91476%0.762SS**  trans-65.2122171.8-69.6-60.5000109.8
457G32.2Very low39.8Very low67 Ų67129.6 Ų129.669%0.69177%0.766SS**  trans-172.885.1-172.100000112.9N455 S459N455-G457 PolarHBondContact O-N 2.94Å; G457-S459 PolarHBondContact O-N 3.28Å
458T37.3Very low39.8Very low136 Ų136137.4 Ų137.483%0.83477%0.774SS**  trans-57.2124.9-179.149.10000114.4
459S37.2Very low39.9Very low99 Ų99134.9 Ų134.969%0.69277%0.765SS**  161135.3110530000115.7G457G457-S459 PolarHBondContact O-N 3.28Å
460N36.8Very low40Very low154 Ų154136.7 Ų136.782%0.82476%0.756SS**  trans37117.1147.2-50.6-35.6000119
461Q35.5Very low40Very low189 Ų189139.7 Ų139.788%0.88376%0.755SS**  cis-160.6152.348.7-74.1-173.8-29.800112.4
462D32.7Very low40.8Very low138 Ų138135.1 Ų135.174%0.73873%0.734SS**  trans-96.5141.7172.3-88.7-68.3000112.8
463T38.4Very low41.6Very low105 Ų105132.6 Ų132.664%0.64472%0.718SS**  trans-134.1121.5163.9-49.60000109.5E465T463-E465 VanDerWaalsContact C-N 3.32Å; T463-E465 PolarHBondContact O-N 3.4Å; T463-E465 VanDerWaalsContact O-N 3.14Å
464P45.4Very low42.4Very low113 Ų113129.1 Ų129.173%0.73470%0.704SS**G310 helixtrans-79.73.1-159.730.2-36.8000116.7
465E43.1Very low43Very low161 Ų161129.3 Ų129.375%0.75270%0.695SS**G310 helixtrans-85-30.3-170.1-59.4-173.4145.300113.5T463 R467 R468T463-E465 VanDerWaalsContact C-N 3.32Å; T463-E465 PolarHBondContact O-N 3.4Å; T463-E465 VanDerWaalsContact O-N 3.14Å; E465-R467 PolarHBondContact O-N 3.44Å; E465-R468 PolarHBondContact O-N 3.5Å
466A42.3Very low44.1Very low71 Ų71130.4 Ų130.459%0.58769%0.688SS**G310 helixtrans-682.8-177.900000115.3R470A466-R470 PolarHBondContact O-NH2 3.05Å
467R48.3Very low45Very low200 Ų200127.2 Ų127.276%0.75567%0.671SS**G310 helixtrans-102.4-20.5177.4-67-173.2-177.8166.37.9114.1E465E465-R467 PolarHBondContact O-N 3.44Å
468R48Very low45.8Very low232 Ų232130.3 Ų130.388%0.87567%0.665SS**THydrogen-bonded Turntrans-82.4-26.1-173.6-151.6174.4-170.5-175.32.6114.6E465E465-R468 PolarHBondContact O-N 3.5Å
469G48.7Very low46.4Very low56 Ų56129.8 Ų129.858%0.57765%0.653SS**THydrogen-bonded Turntrans-71.6-31.3-177.500000115.5L471G469-L471 PolarHBondContact O-N 3.04Å
470R53.3Low47Very low182 Ų182128.5 Ų128.569%0.68764%0.644SS**THydrogen-bonded Turntrans-72.8-24.9-169.8-85.4177.5-93.5-149-6115A466A466-R470 PolarHBondContact O-NH2 3.05Å
471L50.1Low47.6Very low132 Ų132127.4 Ų127.469%0.69164%0.638SS**Hα-helixtrans-77-40.7179.4-170.662.6000112.5G469 Q473 L474 Q475G469-L471 PolarHBondContact O-N 3.04Å; L471-Q473 PolarHBondContact O-N 3.23Å; L471-L474 PolarHBondContact O-N 3.41Å; L471-Q475 PolarHBondContact O-N 3.18Å
472G51.7Low48.2Very low33 Ų33125.8 Ų125.834%0.3463%0.63SS.*Hα-helixtrans-73.6-5.7-179.700000115R476G472-R476 PolarHBondContact O-NE 3.4Å; G472-R476 PolarHBondContact O-NH2 2.87Å
473Q55.2Low49.1Very low122 Ų122122.8 Ų122.857%0.5762%0.62SS**Hα-helixtrans-88.6-42.4171.1-166165.62.300110.6L471 Q475 R476 L477L471-Q473 PolarHBondContact O-N 3.23Å; Q473-Q475 PolarHBondContact O-N 2.84Å; Q473-R476 WeakPolarHBondContact O-CB 3.31Å; Q473-R476 PolarHBondContact O-N 2.74Å; Q473-R476 VanDerWaalsContact O-N 3.17Å; Q473-L477 PolarHBondContact O-N 2.92Å
474L49.1Very low49.8Very low90 Ų90121.6 Ų121.647%0.47162%0.616SS.*Hα-helixtrans-62.4-41.4175.6-164.173.6000112.2L471 R476 L477 F478L471-L474 PolarHBondContact O-N 3.41Å; L474-R476 PolarHBondContact O-N 2.87Å; L474-L477 WeakPolarHBondContact O-CB 3.48Å; L474-L477 PolarHBondContact O-N 3.37Å; L474-L477 VanDerWaalsContact O-N 3.09Å; L474-F478 HydrophobicContact CD1-CE2 4.48Å; L474-F478 HydrophobicContact CD2-CE2 3.95Å; L474-F478 HydrophobicContact CG-CD2 4.25Å; L474-F478 HydrophobicContact CG-CE2 3.76Å; L474-F478 WeakPolarHBondContact O-CD2 3.47Å; L474-F478 PolarHBondContact O-N 2.97Å; L474-F478 VanDerWaalsContact O-N 3.16Å
475Q47.5Very low50.4Low120 Ų120120 Ų12056%0.56160%0.601SS**Hα-helixtrans-61.1-29.2176.3-171.5173.8-1.100113L471 Q473 H479L471-Q475 PolarHBondContact O-N 3.18Å; Q473-Q475 PolarHBondContact O-N 2.84Å; Q475-H479 PolarHBondContact O-CD2 2.93Å; Q475-H479 PolarHBondContact O-N 3.39Å
476R57Low51.5Low168 Ų168117.4 Ų117.463%0.63459%0.593SS**Hα-helixtrans-73.2-34.1175.4-122.1173.7-62.3140.26.6112.4G472 Q473 L474 S480G472-R476 PolarHBondContact O-NE 3.4Å; G472-R476 PolarHBondContact O-NH2 2.87Å; Q473-R476 WeakPolarHBondContact O-CB 3.31Å; Q473-R476 PolarHBondContact O-N 2.74Å; Q473-R476 VanDerWaalsContact O-N 3.17Å; L474-R476 PolarHBondContact O-N 2.87Å; R476-S480 PolarHBondContact O-N 3.21Å; R476-S480 VanDerWaalsContact O-N 3.08Å
477L54.3Low53Low104 Ų104116.3 Ų116.355%0.54559%0.588SS.*Hα-helixtrans-67.9-39.7175.2-63.7172.7000111.5Q473 L474 S480 L481Q473-L477 PolarHBondContact O-N 2.92Å; L474-L477 WeakPolarHBondContact O-CB 3.48Å; L474-L477 PolarHBondContact O-N 3.37Å; L474-L477 VanDerWaalsContact O-N 3.09Å; L477-S480 VanDerWaalsContact O-CB 3.32Å; L477-S480 WeakPolarHBondContact O-CB 3.49Å; L477-S480 PolarHBondContact O-N 3.48Å; L477-S480 VanDerWaalsContact O-N 3.11Å; L477-L481 WeakPolarHBondContact O-CD1 3.46Å; L477-L481 PolarHBondContact O-N 3.32Å; L477-L481 VanDerWaalsContact O-N 3.08Å
478F50.6Low54.4Low132 Ų132111.5 Ų111.558%0.57958%0.577SS**Hα-helixtrans-62.1-45.7174.6-75.3-63.7000112.7L474 S480 L481 E482L474-F478 HydrophobicContact CD1-CE2 4.48Å; L474-F478 HydrophobicContact CD2-CE2 3.95Å; L474-F478 HydrophobicContact CG-CD2 4.25Å; L474-F478 HydrophobicContact CG-CE2 3.76Å; L474-F478 WeakPolarHBondContact O-CD2 3.47Å; L474-F478 PolarHBondContact O-N 2.97Å; L474-F478 VanDerWaalsContact O-N 3.16Å; F478-S480 PolarHBondContact O-N 2.85Å; F478-L481 PolarHBondContact O-N 3.41Å; F478-E482 PolarHBondContact O-N 2.92Å; F478-E482 VanDerWaalsContact O-N 3.09Å
479H49.5Very low55.9Low124 Ų124105.3 Ų105.357%0.57456%0.556SS**Hα-helixtrans-63.6-26.8173.3-70.9-54.9000113.3Q475 S483Q475-H479 PolarHBondContact O-CD2 2.93Å; Q475-H479 PolarHBondContact O-N 3.39Å; H479-S483 PolarHBondContact O-N 3.47Å
480S49Very low57.3Low73 Ų73104.9 Ų104.951%0.5155%0.547SS..Hα-helixtrans-68.4-41.5172.9-159.80000112.3R476 L477 F478 S483R476-S480 PolarHBondContact O-N 3.21Å; R476-S480 VanDerWaalsContact O-N 3.08Å; L477-S480 VanDerWaalsContact O-CB 3.32Å; L477-S480 WeakPolarHBondContact O-CB 3.49Å; L477-S480 PolarHBondContact O-N 3.48Å; L477-S480 VanDerWaalsContact O-N 3.11Å; F478-S480 PolarHBondContact O-N 2.85Å; S480-S483 PolarHBondContact O-N 3.3Å; S480-S483 PolarHBondContact O-OG 3.03Å
481L49.4Very low58.4Low131 Ų13199.1 Ų99.169%0.68654%0.535SS*.Hα-helixtrans-65.9-43.1175.8-9181.6000111.7L477 F478 S483 S484L477-L481 WeakPolarHBondContact O-CD1 3.46Å; L477-L481 PolarHBondContact O-N 3.32Å; L477-L481 VanDerWaalsContact O-N 3.08Å; F478-L481 PolarHBondContact O-N 3.41Å; L481-S483 PolarHBondContact O-N 3.31Å; L481-S484 WeakPolarHBondContact O-CB 3.36Å; L481-S484 PolarHBondContact O-N 3.26Å
482E47.8Very low60.3Low155 Ų15596.1 Ų96.172%0.72452%0.522SS*.Hα-helixtrans-57.8-31.5179.6-147.777.2-154.900112.3F478 S484F478-E482 PolarHBondContact O-N 2.92Å; F478-E482 VanDerWaalsContact O-N 3.09Å; E482-S484 VanDerWaalsContact C-N 3.31Å; E482-S484 PolarHBondContact O-N 2.9Å
483S51.3Low61.6Low74 Ų7497.9 Ų97.952%0.51753%0.528SS..THydrogen-bonded Turntrans-74.1-14.5178.273.90000115.1H479 S480 L481 D485H479-S483 PolarHBondContact O-N 3.47Å; S480-S483 PolarHBondContact O-N 3.3Å; S480-S483 PolarHBondContact O-OG 3.03Å; L481-S483 PolarHBondContact O-N 3.31Å; S483-D485 VanDerWaalsContact C-N 3.28Å; S483-D485 PolarHBondContact O-N 2.81Å
484S53.8Low63.3Low81 Ų8199.3 Ų99.357%0.56653%0.532SS*.Hα-helixtrans-67-29-179.4-169.10000112.7L481 E482 D486 G487 L488L481-S484 WeakPolarHBondContact O-CB 3.36Å; L481-S484 PolarHBondContact O-N 3.26Å; E482-S484 VanDerWaalsContact C-N 3.31Å; E482-S484 PolarHBondContact O-N 2.9Å; S484-D486 VanDerWaalsContact C-N 3.28Å; S484-D486 PolarHBondContact O-N 3.15Å; S484-G487 PolarHBondContact O-N 2.86Å; S484-G487 VanDerWaalsContact O-N 3.11Å; S484-L488 PolarHBondContact O-N 3.18Å
485D57.6Low65.3Low80 Ų80100.6 Ų100.643%0.42854%0.539SS..Hα-helixtrans-63.7-29.6-177.9-174.933.2000112.8S483 L488 K489S483-D485 VanDerWaalsContact C-N 3.28Å; S483-D485 PolarHBondContact O-N 2.81Å; D485-L488 PolarHBondContact O-N 3.24Å; D485-K489 VanDerWaalsContact CG-NZ 3.28Å; D485-K489 VanDerWaalsContact O-CG 3.23Å; D485-K489 WeakPolarHBondContact O-CG 3.43Å; D485-K489 PolarHBondContact O-N 2.72Å; D485-K489 WeakPolarHBondContact OD1-CE 3.24Å; D485-K489 IonicContact OD1-NZ 3.85Å; D485-K489 WeakPolarHBondContact OD2-CE 3.47Å; D485-K489 IonicContact OD2-NZ 2.66Å; D485-K489 PolarHBondContact OD2-NZ 2.95Å
486D67.8Low67.5Low106 Ų106100.5 Ų100.557%0.56754%0.542SS*.Hα-helixtrans-75.9-31.5175.1-71.3-20.7000112.6S484 K489 A490S484-D486 VanDerWaalsContact C-N 3.28Å; S484-D486 PolarHBondContact O-N 3.15Å; D486-K489 IonicContact OD1-NZ 2.7Å; D486-K489 PolarHBondContact OD1-NZ 3.37Å; D486-A490 WeakPolarHBondContact O-CB 3.35Å; D486-A490 PolarHBondContact O-N 2.77Å
487G73.8Confident69.2Low48 Ų4898 Ų9850%0.49554%0.54SS..Hα-helixtrans-65.1-40.7167.400000112.1S484 A490 S491S484-G487 PolarHBondContact O-N 2.86Å; S484-G487 VanDerWaalsContact O-N 3.11Å; G487-A490 PolarHBondContact O-N 3.07Å; G487-S491 PolarHBondContact O-N 2.86Å
488L77.3Confident71.1Confident99 Ų99101.3 Ų101.352%0.51855%0.546SS..Hα-helixtrans-65.8-43.8175.2-176.361.7000112.2S484 D485 A490 S491 V492S484-L488 PolarHBondContact O-N 3.18Å; D485-L488 PolarHBondContact O-N 3.24Å; L488-A490 VanDerWaalsContact C-N 3.3Å; L488-A490 PolarHBondContact O-N 3.01Å; L488-S491 PolarHBondContact O-N 3.34Å; L488-S491 PolarHBondContact O-OG 2.97Å; L488-V492 HydrophobicContact CD1-CG2 4.28Å; L488-V492 HydrophobicContact CG-CG2 4.5Å; L488-V492 WeakPolarHBondContact O-CB 3.38Å; L488-V492 VanDerWaalsContact O-CG2 3.29Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 3.07Å
489K79Confident73.1Confident102 Ų10299.6 Ų99.644%0.44354%0.541SS..Hα-helixtrans-60.1-40.5172.4-71.3162.3-153149.60111.5D485 D486 C493D485-K489 VanDerWaalsContact CG-NZ 3.28Å; D485-K489 VanDerWaalsContact O-CG 3.23Å; D485-K489 WeakPolarHBondContact O-CG 3.43Å; D485-K489 PolarHBondContact O-N 2.72Å; D485-K489 WeakPolarHBondContact OD1-CE 3.24Å; D485-K489 IonicContact OD1-NZ 3.85Å; D485-K489 WeakPolarHBondContact OD2-CE 3.47Å; D485-K489 IonicContact OD2-NZ 2.66Å; D485-K489 PolarHBondContact OD2-NZ 2.95Å; D486-K489 IonicContact OD1-NZ 2.7Å; D486-K489 PolarHBondContact OD1-NZ 3.37Å; K489-C493 WeakPolarHBondContact O-CB 3.13Å; K489-C493 PolarHBondContact O-N 3.3Å
490A77.9Confident74.9Confident47 Ų4796 Ų9639%0.38853%0.53SS..Hα-helixtrans-66.3-39.6177.100000112.4D486 G487 L488 K494D486-A490 WeakPolarHBondContact O-CB 3.35Å; D486-A490 PolarHBondContact O-N 2.77Å; G487-A490 PolarHBondContact O-N 3.07Å; L488-A490 VanDerWaalsContact C-N 3.3Å; L488-A490 PolarHBondContact O-N 3.01Å; A490-K494 WeakPolarHBondContact O-CB 3.42Å; A490-K494 VanDerWaalsContact O-CG 3.32Å; A490-K494 WeakPolarHBondContact O-CG 3.49Å; A490-K494 PolarHBondContact O-N 3.47Å
491S76.8Confident77Confident61 Ų6198.1 Ų98.143%0.42753%0.532SS..Hα-helixtrans-71.7-41.1176.770.70000112.3G487 L488 C493 K494 L495G487-S491 PolarHBondContact O-N 2.86Å; L488-S491 PolarHBondContact O-N 3.34Å; L488-S491 PolarHBondContact O-OG 2.97Å; S491-C493 PolarHBondContact O-N 2.87Å; S491-K494 PolarHBondContact O-N 2.96Å; S491-L495 WeakPolarHBondContact O-CB 3.32Å; S491-L495 PolarHBondContact O-N 3.33Å
492V90.4Very high79Confident69 Ų6995.9 Ų95.942%0.41852%0.519SS..Hα-helixtrans-62.6-40.1172.6170.80000111.4L488 L495 L496L488-V492 HydrophobicContact CD1-CG2 4.28Å; L488-V492 HydrophobicContact CG-CG2 4.5Å; L488-V492 WeakPolarHBondContact O-CB 3.38Å; L488-V492 VanDerWaalsContact O-CG2 3.29Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 3.07Å; V492-L495 PolarHBondContact O-N 2.88Å; V492-L496 HydrophobicContact CG1-CD1 4.03Å; V492-L496 WeakPolarHBondContact O-CG 3.37Å; V492-L496 PolarHBondContact O-N 3.01Å
493C77.6Confident80.9Confident69 Ų6993.4 Ų93.447%0.46651%0.508SS..Hα-helixtrans-63.9-45.9174.3-1740000111.8K489 S491 L495 L496 L497K489-C493 WeakPolarHBondContact O-CB 3.13Å; K489-C493 PolarHBondContact O-N 3.3Å; S491-C493 PolarHBondContact O-N 2.87Å; C493-L495 VanDerWaalsContact C-N 3.29Å; C493-L495 PolarHBondContact O-N 2.92Å; C493-L496 PolarHBondContact O-N 2.9Å; C493-L497 WeakPolarHBondContact O-CB 3.25Å; C493-L497 WeakPolarHBondContact O-CG 3.27Å; C493-L497 PolarHBondContact O-N 3.15Å
494K90.9Very high82.5Confident152 Ų15298.8 Ų98.866%0.66152%0.517SS*.Hα-helixtrans-59.5-38.6172.7-75.3172.9179178.80112A490 S491 R498A490-K494 WeakPolarHBondContact O-CB 3.42Å; A490-K494 VanDerWaalsContact O-CG 3.32Å; A490-K494 WeakPolarHBondContact O-CG 3.49Å; A490-K494 PolarHBondContact O-N 3.47Å; S491-K494 PolarHBondContact O-N 2.96Å; K494-R498 WeakPolarHBondContact O-CB 3.29Å; K494-R498 WeakPolarHBondContact O-CG 3.43Å; K494-R498 PolarHBondContact O-N 3.49Å
495L91.3Very high84.1Confident118 Ų118100.4 Ų100.462%0.61852%0.516SS*.Hα-helixtrans-67.3-44.5177.5-17961.4000112S491 V492 C493 R498 M499S491-L495 WeakPolarHBondContact O-CB 3.32Å; S491-L495 PolarHBondContact O-N 3.33Å; V492-L495 PolarHBondContact O-N 2.88Å; C493-L495 VanDerWaalsContact C-N 3.29Å; C493-L495 PolarHBondContact O-N 2.92Å; L495-R498 PolarHBondContact O-N 2.84Å; L495-M499 WeakPolarHBondContact O-CB 3.27Å; L495-M499 PolarHBondContact O-N 2.65Å
496L94.6Very high85.6Confident117 Ų117101.9 Ų101.961%0.61352%0.523SS*.Hα-helixtrans-63.9-39.4175.8-73.7167.3000112V492 C493 M499 S500V492-L496 HydrophobicContact CG1-CD1 4.03Å; V492-L496 WeakPolarHBondContact O-CG 3.37Å; V492-L496 PolarHBondContact O-N 3.01Å; C493-L496 PolarHBondContact O-N 2.9Å; L496-M499 PolarHBondContact O-N 3.48Å; L496-S500 WeakPolarHBondContact O-CB 3.49Å; L496-S500 PolarHBondContact O-N 2.91Å
497L92.4Very high86.3Confident115 Ų115102.1 Ų102.160%0.60252%0.52SS*.Hα-helixtrans-64.1-43.2173.3-73166.6000111.8C493 Q501C493-L497 WeakPolarHBondContact O-CB 3.25Å; C493-L497 WeakPolarHBondContact O-CG 3.27Å; C493-L497 PolarHBondContact O-N 3.15Å; L497-Q501 WeakPolarHBondContact O-CB 3.36Å; L497-Q501 PolarHBondContact O-N 3.3Å
498R94.7Very high86.8Confident174 Ų174103 Ų10366%0.65752%0.519SS*.Hα-helixtrans-61.9-45173.3-80.1-70.4-165159.94.2111.9K494 L495 Q501 I502K494-R498 WeakPolarHBondContact O-CB 3.29Å; K494-R498 WeakPolarHBondContact O-CG 3.43Å; K494-R498 PolarHBondContact O-N 3.49Å; L495-R498 PolarHBondContact O-N 2.84Å; R498-Q501 PolarHBondContact O-N 3.33Å; R498-I502 VanDerWaalsContact O-CG1 3.3Å; R498-I502 WeakPolarHBondContact O-CG1 3.45Å; R498-I502 PolarHBondContact O-N 3.17Å
499M92.6Very high87.4Confident96 Ų96103.4 Ų103.447%0.47352%0.521SS..Hα-helixtrans-60-50.6177.7-175.564.1-172.200111.1L495 L496 Q501 I502 E503L495-M499 WeakPolarHBondContact O-CB 3.27Å; L495-M499 PolarHBondContact O-N 2.65Å; L496-M499 PolarHBondContact O-N 3.48Å; M499-Q501 PolarHBondContact O-N 2.93Å; M499-I502 WeakPolarHBondContact O-CA 3.49Å; M499-I502 WeakPolarHBondContact O-CB 3.44Å; M499-I502 PolarHBondContact O-N 2.89Å; M499-E503 HydrophobicContact CE-CG 4.08Å; M499-E503 WeakPolarHBondContact O-CG 3.44Å; M499-E503 PolarHBondContact O-N 2.94Å
500S87.8Confident87.8Confident50 Ų50102.4 Ų102.435%0.3552%0.521SS..Hα-helixtrans-64.3-28.3178.9-168.70000113.4L496 E503 R504L496-S500 WeakPolarHBondContact O-CB 3.49Å; L496-S500 PolarHBondContact O-N 2.91Å; S500-E503 WeakPolarHBondContact CA-OE2 3.4Å; S500-R504 WeakPolarHBondContact O-CB 3.48Å; S500-R504 PolarHBondContact O-N 3.01Å
501Q91.6Very high88.3Confident117 Ų117105.2 Ų105.255%0.54753%0.529SS..Hα-helixtrans-72.7-37.8171.4-172.6167.3-2.800112.2L497 R498 M499 R504 Q505L497-Q501 WeakPolarHBondContact O-CB 3.36Å; L497-Q501 PolarHBondContact O-N 3.3Å; R498-Q501 PolarHBondContact O-N 3.33Å; M499-Q501 PolarHBondContact O-N 2.93Å; Q501-R504 PolarHBondContact O-N 3.35Å; Q501-Q505 WeakPolarHBondContact O-CG 3.37Å; Q501-Q505 PolarHBondContact O-N 3.36Å
502I92.3Very high89Confident84 Ų84105.4 Ų105.443%0.43153%0.528SS..Hα-helixtrans-66.8-43.3174.4-68.7161.8000110.8R498 M499 R504 Q505 L506R498-I502 VanDerWaalsContact O-CG1 3.3Å; R498-I502 WeakPolarHBondContact O-CG1 3.45Å; R498-I502 PolarHBondContact O-N 3.17Å; M499-I502 WeakPolarHBondContact O-CA 3.49Å; M499-I502 WeakPolarHBondContact O-CB 3.44Å; M499-I502 PolarHBondContact O-N 2.89Å; I502-R504 VanDerWaalsContact C-N 3.28Å; I502-R504 PolarHBondContact O-N 2.82Å; I502-Q505 CarbonylContact O-C 3.56Å; I502-Q505 PolarHBondContact O-N 3.09Å; I502-Q505 VanDerWaalsContact O-N 3.09Å; I502-L506 HydrophobicContact CG2-CD1 4.32Å; I502-L506 PolarHBondContact O-N 3.49Å
503E87.3Confident89Confident103 Ų103108.6 Ų108.648%0.48154%0.536SS..Hα-helixtrans-55.4-43.7173.2-71.4170.8163.700111.4M499 S500 Q505 L506 E507M499-E503 HydrophobicContact CE-CG 4.08Å; M499-E503 WeakPolarHBondContact O-CG 3.44Å; M499-E503 PolarHBondContact O-N 2.94Å; S500-E503 WeakPolarHBondContact CA-OE2 3.4Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 3.24Å; E503-L506 WeakPolarHBondContact O-CB 3.48Å; E503-L506 PolarHBondContact O-N 2.85Å; E503-E507 PolarHBondContact O-N 3.34Å; E503-E507 VanDerWaalsContact O-N 3.11Å
504R86.2Confident89.7Confident186 Ų186108 Ų10870%0.70254%0.536SS*.Hα-helixtrans-68.8-29.9177.3-161.7175.3-56.8162.99.5113.4S500 Q501 I502 S508S500-R504 WeakPolarHBondContact O-CB 3.48Å; S500-R504 PolarHBondContact O-N 3.01Å; Q501-R504 PolarHBondContact O-N 3.35Å; I502-R504 VanDerWaalsContact C-N 3.28Å; I502-R504 PolarHBondContact O-N 2.82Å; R504-S508 PolarHBondContact O-N 2.88Å
505Q87.5Confident89.8Confident116 Ų116106.8 Ų106.854%0.54253%0.533SS..Hα-helixtrans-73.5-33.9171.1-72-178.8-56.800111.7Q501 I502 E503 E507 S508 L509Q501-Q505 WeakPolarHBondContact O-CG 3.37Å; Q501-Q505 PolarHBondContact O-N 3.36Å; I502-Q505 CarbonylContact O-C 3.56Å; I502-Q505 PolarHBondContact O-N 3.09Å; I502-Q505 VanDerWaalsContact O-N 3.09Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 3.24Å; Q505-E507 VanDerWaalsContact C-N 3.32Å; Q505-E507 PolarHBondContact O-N 3.02Å; Q505-S508 PolarHBondContact O-N 3.3Å; Q505-S508 PolarHBondContact O-OG 3.17Å; Q505-L509 PolarHBondContact O-N 2.99Å; Q505-L509 VanDerWaalsContact O-N 3.09Å
506L88.3Confident89.9Confident110 Ų110105.8 Ų105.858%0.57653%0.527SS*.Hα-helixtrans-62-36.8172.7-11266.5000112.3I502 E503 L509 N510I502-L506 HydrophobicContact CG2-CD1 4.32Å; I502-L506 PolarHBondContact O-N 3.49Å; E503-L506 WeakPolarHBondContact O-CB 3.48Å; E503-L506 PolarHBondContact O-N 2.85Å; L506-L509 WeakPolarHBondContact O-CB 3.42Å; L506-L509 PolarHBondContact O-N 3.17Å; L506-N510 PolarHBondContact O-N 3.32Å
507E83.3Confident89.8Confident111 Ų111103.2 Ų103.252%0.51952%0.519SS..Hα-helixtrans-65.4-42.1174-159.266.8-107.200111.7E503 Q505 L509 N510 D511E503-E507 PolarHBondContact O-N 3.34Å; E503-E507 VanDerWaalsContact O-N 3.11Å; Q505-E507 VanDerWaalsContact C-N 3.32Å; Q505-E507 PolarHBondContact O-N 3.02Å; E507-L509 PolarHBondContact O-N 3.11Å; E507-N510 WeakPolarHBondContact O-CA 3.21Å; E507-N510 WeakPolarHBondContact O-CB 3.22Å; E507-N510 PolarHBondContact O-N 3.05Å; E507-N510 WeakPolarHBondContact OE1-CB 3.3Å; E507-N510 PolarHBondContact OE1-ND2 3.24Å; E507-D511 PolarHBondContact O-N 3.45Å; E507-D511 VanDerWaalsContact O-N 3.1Å
508S84.1Confident90Very high66 Ų66104.3 Ų104.346%0.46252%0.521SS..Hα-helixtrans-64.3-23.5173.464.40000113.6R504 Q505 V512R504-S508 PolarHBondContact O-N 2.88Å; Q505-S508 PolarHBondContact O-N 3.3Å; Q505-S508 PolarHBondContact O-OG 3.17Å; S508-V512 WeakPolarHBondContact O-CG2 3.43Å; S508-V512 PolarHBondContact O-N 2.96Å
509L88.1Confident90.1Very high109 Ų109100.1 Ų100.157%0.57151%0.514SS*.Hα-helixtrans-78.2-25.6171-173.563.5000112.1Q505 L506 E507 K513Q505-L509 PolarHBondContact O-N 2.99Å; Q505-L509 VanDerWaalsContact O-N 3.09Å; L506-L509 WeakPolarHBondContact O-CB 3.42Å; L506-L509 PolarHBondContact O-N 3.17Å; E507-L509 PolarHBondContact O-N 3.11Å; L509-K513 WeakPolarHBondContact O-CB 3.32Å; L509-K513 PolarHBondContact O-N 2.8Å
510N87.5Confident90.1Very high81 Ų8199.4 Ų99.443%0.43351%0.512SS..Hα-helixtrans-69.4-39.7172.5-164.432.1000111.1L506 E507 K513 A514L506-N510 PolarHBondContact O-N 3.32Å; E507-N510 WeakPolarHBondContact O-CA 3.21Å; E507-N510 WeakPolarHBondContact O-CB 3.22Å; E507-N510 PolarHBondContact O-N 3.05Å; E507-N510 WeakPolarHBondContact OE1-CB 3.3Å; E507-N510 PolarHBondContact OE1-ND2 3.24Å; N510-K513 WeakPolarHBondContact O-CB 3.3Å; N510-K513 PolarHBondContact O-N 3.38Å; N510-A514 PolarHBondContact O-N 3.35Å
511D89.8Confident90.3Very high106 Ų106100.2 Ų100.257%0.56752%0.518SS*.Hα-helixtrans-59.6-49.7170.1-69.4-39.5000111.4E507 K513 A514 E515E507-D511 PolarHBondContact O-N 3.45Å; E507-D511 VanDerWaalsContact O-N 3.1Å; D511-K513 VanDerWaalsContact C-N 3.27Å; D511-K513 PolarHBondContact O-N 2.83Å; D511-A514 WeakPolarHBondContact O-CA 3.48Å; D511-A514 WeakPolarHBondContact O-CB 3.41Å; D511-A514 PolarHBondContact O-N 3.03Å; D511-E515 PolarHBondContact O-N 3.47Å
512V91.4Very high90.4Very high65 Ų6596.8 Ų96.839%0.39451%0.51SS..Hα-helixtrans-60.3-36.1175.9171.60000111.8S508 A514 E515 I516S508-V512 WeakPolarHBondContact O-CG2 3.43Å; S508-V512 PolarHBondContact O-N 2.96Å; V512-A514 VanDerWaalsContact C-N 3.33Å; V512-E515 PolarHBondContact O-N 3.14Å; V512-I516 HydrophobicContact CG1-CD1 3.86Å; V512-I516 HydrophobicContact CG1-CG1 4.44Å; V512-I516 WeakPolarHBondContact O-CB 3.26Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.24Å; V512-I516 PolarHBondContact O-N 3.21Å
513K88.9Confident90.4Very high135 Ų13597.5 Ų97.559%0.58751%0.514SS*.Hα-helixtrans-65.1-36.2173.1179.6-173.6174-172.20111.7L509 N510 D511 S517L509-K513 WeakPolarHBondContact O-CB 3.32Å; L509-K513 PolarHBondContact O-N 2.8Å; N510-K513 WeakPolarHBondContact O-CB 3.3Å; N510-K513 PolarHBondContact O-N 3.38Å; D511-K513 VanDerWaalsContact C-N 3.27Å; D511-K513 PolarHBondContact O-N 2.83Å; K513-S517 WeakPolarHBondContact O-CB 3.31Å; K513-S517 PolarHBondContact O-N 3.33Å; K513-S517 PolarHBondContact O-OG 3.28Å
514A92.3Very high90.4Very high58 Ų5898.1 Ų98.148%0.47952%0.517SS..Hα-helixtrans-67.6-42.8173.900000111.8N510 D511 V512 S517 Q518N510-A514 PolarHBondContact O-N 3.35Å; D511-A514 WeakPolarHBondContact O-CA 3.48Å; D511-A514 WeakPolarHBondContact O-CB 3.41Å; D511-A514 PolarHBondContact O-N 3.03Å; V512-A514 VanDerWaalsContact C-N 3.33Å; A514-S517 PolarHBondContact O-N 3.31Å; A514-Q518 WeakPolarHBondContact O-CB 3.22Å; A514-Q518 PolarHBondContact O-N 2.99Å
515E94.6Very high90.5Very high126 Ų12697.7 Ų97.759%0.58952%0.515SS*.Hα-helixtrans-60.1-47.2172.6-67.7-170.8163.700112.1D511 V512 S517 Q518 V519D511-E515 PolarHBondContact O-N 3.47Å; V512-E515 PolarHBondContact O-N 3.14Å; E515-S517 VanDerWaalsContact C-N 3.3Å; E515-S517 PolarHBondContact O-N 3.38Å; E515-Q518 WeakPolarHBondContact O-CB 3.48Å; E515-Q518 PolarHBondContact O-N 2.88Å; E515-Q518 VanDerWaalsContact O-N 3.15Å; E515-V519 WeakPolarHBondContact O-CG2 3.32Å; E515-V519 PolarHBondContact O-N 3.32Å
516I93.6Very high90.5Very high96 Ų9696.9 Ų96.949%0.49251%0.514SS..Hα-helixtrans-59.8-42.4176.2-70.2166.3000110.5V512 Q518 V519 L520V512-I516 HydrophobicContact CG1-CD1 3.86Å; V512-I516 HydrophobicContact CG1-CG1 4.44Å; V512-I516 WeakPolarHBondContact O-CB 3.26Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.24Å; V512-I516 PolarHBondContact O-N 3.21Å; I516-Q518 VanDerWaalsContact C-N 3.34Å; I516-Q518 PolarHBondContact O-N 3.15Å; I516-V519 PolarHBondContact O-N 2.97Å; I516-L520 HydrophobicContact CG2-CD1 3.92Å; I516-L520 HydrophobicContact CG2-CG 4.38Å; I516-L520 WeakPolarHBondContact O-CB 3.33Å; I516-L520 VanDerWaalsContact O-CG 3.29Å; I516-L520 WeakPolarHBondContact O-CG 3.15Å; I516-L520 PolarHBondContact O-N 3.28Å
517S92.3Very high90.5Very high64 Ų6495.5 Ų95.545%0.44851%0.507SS..Hα-helixtrans-64.2-38.8176.8-57.20000111.9K513 A514 E515 S521K513-S517 WeakPolarHBondContact O-CB 3.31Å; K513-S517 PolarHBondContact O-N 3.33Å; K513-S517 PolarHBondContact O-OG 3.28Å; A514-S517 PolarHBondContact O-N 3.31Å; E515-S517 VanDerWaalsContact C-N 3.3Å; E515-S517 PolarHBondContact O-N 3.38Å; S517-S521 WeakPolarHBondContact O-CB 3.21Å; S517-S521 PolarHBondContact O-N 3.2Å
518Q95.4Very high90.6Very high137 Ų13794.5 Ų94.564%0.6450%0.502SS*.Hα-helixtrans-65.3-44.5174.3-174.2179.6-0.100111.5A514 E515 I516 S521 A522A514-Q518 WeakPolarHBondContact O-CB 3.22Å; A514-Q518 PolarHBondContact O-N 2.99Å; E515-Q518 WeakPolarHBondContact O-CB 3.48Å; E515-Q518 PolarHBondContact O-N 2.88Å; E515-Q518 VanDerWaalsContact O-N 3.15Å; I516-Q518 VanDerWaalsContact C-N 3.34Å; I516-Q518 PolarHBondContact O-N 3.15Å; Q518-S521 PolarHBondContact O-N 2.72Å; Q518-S521 PolarHBondContact O-OG 2.92Å; Q518-A522 WeakPolarHBondContact O-CB 3.39Å; Q518-A522 PolarHBondContact O-N 2.68Å
519V96.6Very high90.3Very high86 Ų8699.2 Ų99.252%0.52152%0.515SS..Hα-helixtrans-62.6-44.6175.9171.10000111.1E515 I516 S521 A522 L523E515-V519 WeakPolarHBondContact O-CG2 3.32Å; E515-V519 PolarHBondContact O-N 3.32Å; I516-V519 PolarHBondContact O-N 2.97Å; V519-S521 PolarHBondContact O-N 3.32Å; V519-A522 PolarHBondContact O-N 2.94Å; V519-L523 HydrophobicContact CG1-CD1 3.98Å; V519-L523 HydrophobicContact CG1-CG 4.43Å; V519-L523 WeakPolarHBondContact O-CG 3.2Å; V519-L523 PolarHBondContact O-N 3.46Å
520L92.4Very high89.7Confident82 Ų82100.2 Ų100.243%0.42952%0.519SS..Hα-helixtrans-61.6-41.9175.2-72171.2000111.7I516 A522 L523 Q524I516-L520 HydrophobicContact CG2-CD1 3.92Å; I516-L520 HydrophobicContact CG2-CG 4.38Å; I516-L520 WeakPolarHBondContact O-CB 3.33Å; I516-L520 VanDerWaalsContact O-CG 3.29Å; I516-L520 WeakPolarHBondContact O-CG 3.15Å; I516-L520 PolarHBondContact O-N 3.28Å; L520-A522 VanDerWaalsContact C-N 3.31Å; L520-A522 PolarHBondContact O-N 3.39Å; L520-L523 PolarHBondContact O-N 3.09Å; L520-Q524 WeakPolarHBondContact O-CB 3.41Å; L520-Q524 PolarHBondContact O-N 2.96Å
521S93.7Very high88.7Confident67 Ų67102.4 Ų102.447%0.46953%0.527SS..Hα-helixtrans-63.7-35174.980.50000112.8S517 Q518 V519 R525S517-S521 WeakPolarHBondContact O-CB 3.21Å; S517-S521 PolarHBondContact O-N 3.2Å; Q518-S521 PolarHBondContact O-N 2.72Å; Q518-S521 PolarHBondContact O-OG 2.92Å; V519-S521 PolarHBondContact O-N 3.32Å; S521-R525 WeakPolarHBondContact O-CB 3.4Å; S521-R525 PolarHBondContact O-N 2.86Å
522A92.9Very high86.8Confident45 Ų45104.7 Ų104.737%0.37253%0.534SS..Hα-helixtrans-73.1-36.5177.200000112.1Q518 V519 L520 L526Q518-A522 WeakPolarHBondContact O-CB 3.39Å; Q518-A522 PolarHBondContact O-N 2.68Å; V519-A522 PolarHBondContact O-N 2.94Å; L520-A522 VanDerWaalsContact C-N 3.31Å; L520-A522 PolarHBondContact O-N 3.39Å; A522-L526 WeakPolarHBondContact O-CB 3.41Å; A522-L526 PolarHBondContact O-N 3.25Å; A522-L526 VanDerWaalsContact O-N 3.08Å
523L91.6Very high84.8Confident99 Ų99106.6 Ų106.652%0.51855%0.548SS..Hα-helixtrans-67.7-45.2172.6-72.3170.2000111.5V519 L520 R525 L526 D527V519-L523 HydrophobicContact CG1-CD1 3.98Å; V519-L523 HydrophobicContact CG1-CG 4.43Å; V519-L523 WeakPolarHBondContact O-CG 3.2Å; V519-L523 PolarHBondContact O-N 3.46Å; L520-L523 PolarHBondContact O-N 3.09Å; L523-R525 PolarHBondContact O-N 3.31Å; L523-L526 CarbonylContact O-C 3.58Å; L523-L526 WeakPolarHBondContact O-CA 3.47Å; L523-L526 WeakPolarHBondContact O-CB 3.41Å; L523-L526 PolarHBondContact O-N 3.27Å; L523-D527 PolarHBondContact O-N 3.38Å
524Q88.8Confident83.1Confident116 Ų116106.7 Ų106.754%0.54256%0.559SS.*Hα-helixtrans-58.9-45.9174.8-173.8-172.4-37.100111.2L520 L526 D527 E528L520-Q524 WeakPolarHBondContact O-CB 3.41Å; L520-Q524 PolarHBondContact O-N 2.96Å; Q524-L526 PolarHBondContact O-N 2.98Å; Q524-D527 WeakPolarHBondContact O-CB 3.33Å; Q524-D527 PolarHBondContact O-N 3.16Å; Q524-D527 VanDerWaalsContact O-N 3.12Å; Q524-E528 PolarHBondContact NE2-OE1 2.93Å; Q524-E528 WeakPolarHBondContact O-CB 3.35Å; Q524-E528 WeakPolarHBondContact O-CG 3.42Å; Q524-E528 PolarHBondContact O-N 3.22Å
525R88.1Confident80.8Confident177 Ų177112.4 Ų112.467%0.66858%0.581SS**Hα-helixtrans-70.1-15.5177.2-160.9-177.264.5160.1-1.6113.6S521 L523S521-R525 WeakPolarHBondContact O-CB 3.4Å; S521-R525 PolarHBondContact O-N 2.86Å; L523-R525 PolarHBondContact O-N 3.31Å
526L87.5Confident78.1Confident99 Ų99109.4 Ų109.452%0.51858%0.583SS.*Hα-helixtrans-82-41.1167.9-91.6164.8000111.2A522 L523 Q524 K529 I530A522-L526 WeakPolarHBondContact O-CB 3.41Å; A522-L526 PolarHBondContact O-N 3.25Å; A522-L526 VanDerWaalsContact O-N 3.08Å; L523-L526 CarbonylContact O-C 3.58Å; L523-L526 WeakPolarHBondContact O-CA 3.47Å; L523-L526 WeakPolarHBondContact O-CB 3.41Å; L523-L526 PolarHBondContact O-N 3.27Å; Q524-L526 PolarHBondContact O-N 2.98Å; L526-K529 VanDerWaalsContact O-CB 3.31Å; L526-K529 WeakPolarHBondContact O-CB 3.41Å; L526-K529 PolarHBondContact O-N 2.95Å; L526-I530 WeakPolarHBondContact O-CD1 3.44Å; L526-I530 VanDerWaalsContact O-CG1 3.28Å; L526-I530 WeakPolarHBondContact O-CG1 3.33Å; L526-I530 PolarHBondContact O-N 2.8Å
527D88.5Confident75.2Confident80 Ų80108.9 Ų108.943%0.42860%0.601SS.*Hα-helixtrans-63.4-48.4175.8-172.829.5000111.4L523 Q524 K529 I530 Q531L523-D527 PolarHBondContact O-N 3.38Å; Q524-D527 WeakPolarHBondContact O-CB 3.33Å; Q524-D527 PolarHBondContact O-N 3.16Å; Q524-D527 VanDerWaalsContact O-N 3.12Å; D527-K529 PolarHBondContact O-N 3.47Å; D527-I530 CarbonylContact O-C 3.58Å; D527-I530 WeakPolarHBondContact O-CA 3.44Å; D527-I530 PolarHBondContact O-N 2.93Å; D527-Q531 WeakPolarHBondContact O-CB 3.46Å; D527-Q531 WeakPolarHBondContact O-CG 3.46Å; D527-Q531 PolarHBondContact O-N 2.8Å; D527-Q531 PolarHBondContact OD1-NE2 3.44Å; D527-Q531 PolarHBondContact OD2-NE2 3.34Å
528E85.3Confident72.6Confident90 Ų90109.6 Ų109.642%0.42162%0.619SS.*Hα-helixtrans-53.3-38170.2-71.8167.3-173.700112.2Q524 H532Q524-E528 PolarHBondContact NE2-OE1 2.93Å; Q524-E528 WeakPolarHBondContact O-CB 3.35Å; Q524-E528 WeakPolarHBondContact O-CG 3.42Å; Q524-E528 PolarHBondContact O-N 3.22Å; E528-H532 PolarHBondContact O-CD2 3.05Å; E528-H532 PolarHBondContact O-N 3.14Å
529K77.8Confident69.7Low166 Ų166112.8 Ų112.872%0.72263%0.634SS**Hα-helixtrans-70.7-27.4175.4-97.8-171.1167.5-163.70113.9L526 D527L526-K529 VanDerWaalsContact O-CB 3.31Å; L526-K529 WeakPolarHBondContact O-CB 3.41Å; L526-K529 PolarHBondContact O-N 2.95Å; D527-K529 PolarHBondContact O-N 3.47Å
530I73.9Confident66.8Low129 Ų129114 Ų11466%0.66265%0.647SS**Hα-helixtrans-85.2-33.1177.8-68.5161.4000110.2L526 D527 H532L526-I530 WeakPolarHBondContact O-CD1 3.44Å; L526-I530 VanDerWaalsContact O-CG1 3.28Å; L526-I530 WeakPolarHBondContact O-CG1 3.33Å; L526-I530 PolarHBondContact O-N 2.8Å; D527-I530 CarbonylContact O-C 3.58Å; D527-I530 WeakPolarHBondContact O-CA 3.44Å; D527-I530 PolarHBondContact O-N 2.93Å; I530-H532 VanDerWaalsContact C-N 3.26Å; I530-H532 PolarHBondContact O-N 3.39Å
531Q68.3Low63.9Low128 Ų128117.1 Ų117.160%0.59867%0.669SS**SBendtrans-78.5-1.1177.4-67-174.336.100114.4D527 P533D527-Q531 WeakPolarHBondContact O-CB 3.46Å; D527-Q531 WeakPolarHBondContact O-CG 3.46Å; D527-Q531 PolarHBondContact O-N 2.8Å; D527-Q531 PolarHBondContact OD1-NE2 3.44Å; D527-Q531 PolarHBondContact OD2-NE2 3.34Å; Q531-P533 WeakPolarHBondContact O-CD 3.46Å
532H49.4Very low61Low153 Ų153117.1 Ų117.171%0.70868%0.68SS**  trans-104.673168.8-76.8-51.4000112.6E528 I530E528-H532 PolarHBondContact O-CD2 3.05Å; E528-H532 PolarHBondContact O-N 3.14Å; I530-H532 VanDerWaalsContact C-N 3.26Å; I530-H532 PolarHBondContact O-N 3.39Å
533P48.5Very low58Low106 Ų106122.3 Ų122.369%0.68870%0.701SS**  trans-66.7139.9167.230.7-33.9000110.3Q531 L535Q531-P533 WeakPolarHBondContact O-CD 3.46Å; P533-L535 PolarHBondContact O-N 3.06Å
534V53.5Low55Low137 Ų137126.3 Ų126.383%0.8371%0.709SS**  trans-63.5119.4179.3174.70000110.6
535L44.6Very low52.2Low178 Ų178129.3 Ų129.393%0.93272%0.716SS**  trans-135.758.1168.7-147.187.4000112.3P533P533-L535 PolarHBondContact O-N 3.06Å
536G37.7Very low49.6Very low62 Ų62127.9 Ų127.964%0.63972%0.721SS**  trans-107.9123.3164.500000109.6
537G33.5Very low46.7Very low85 Ų85131.8 Ų131.888%0.87674%0.737SS**  trans-65.1139.4-173.100000113.6
538G36Very low44.5Very low80 Ų80133 Ų13383%0.82575%0.749SS**  trans-80.5152.5-179.200000114.1
539Q34.7Very low42Very low203 Ų203136.9 Ų136.995%0.94977%0.772SS**  trans-144.7142.5158.6-151.5161.5110.400108.7
540S36Very low39.6Very low113 Ų113135 Ų13579%0.7978%0.78SS**  trans-101127.8-162.157.10000114.2
541T32.3Very low37.4Very low146 Ų146131.8 Ų131.890%0.89678%0.778SS**  trans-142.9149.3143.1-33.80000108.6
542G32.3Very low35.4Very low67 Ų67132.4 Ų132.469%0.69179%0.79SS**  trans-92.8-151.1178.300000113.8
543D28.9Very low34.5Very low155 Ų155130.5 Ų130.583%0.82979%0.794SS**  trans75.898.7168.9-77.8-7.2000120.4
544R30.3Very low33.6Very low182 Ų182129.8 Ų129.869%0.68779%0.791SS**  107.7117.9116.1-76.4-168.9132-107.1-0121.2
545W30.2Very low32.3Very low179 Ų179131.7 Ų131.768%0.67879%0.789SS**  69.7113129.1-72.652.6000121.3
546L31.8Very low31.6Very low148 Ų148130.7 Ų130.778%0.77578%0.781SS**  trans67.1137.4136.3-54.6-172.6000122
547E28Very low31.3Very low181 Ų181131.2 Ų131.285%0.84678%0.775SS**  trans-68.4178.8151.9-61.7166.488.700111.1
548P42.2Very low31.1Very low106 Ų106135.6 Ų135.669%0.68877%0.773SS**  cis-135.31773.726.4-1.2000116.4
549L31.7Very low31.4Very low171 Ų171137 Ų13790%0.89577%0.767SS**  trans30.8131.9143.2-59.3167.6000121.8
550S28.1Very low31.2Very low127 Ų127134.9 Ų134.989%0.88876%0.76SS**  150.4156.8121.1-167.60000114.6
551G27.3Very low31Very low61 Ų61134.8 Ų134.863%0.62976%0.755SS**  trans78.1119.5168.100000115.4
552V26.8Very low31.2Very low141 Ų141133.6 Ų133.686%0.85575%0.75SS**  cis76.6135.230.9-169.70000114.2
553S30.4Very low30.8Very low112 Ų112134.4 Ų134.478%0.78375%0.745SS**  trans79.4158.2-17879.30000117
554S28.7Very low30.6Very low91 Ų91134.6 Ų134.664%0.63675%0.746SS**  -178.8171.4-65.745.70000110.9
555F26.2Very low30.4Very low178 Ų178130.6 Ų130.678%0.78175%0.746SS**  trans74104.2162.2-67.3-67.8000121
556M30.4Very low30.2Very low157 Ų157126.6 Ų126.677%0.77375%0.746SS**  71102.5118.1-76.4-173.178.200122.9
557S31Very low29.9Very low73 Ų73128.2 Ų128.251%0.5175%0.749SS.*  83.3117.9107.675.10000123.6
558H29.9Very low30.8Very low177 Ų177124.2 Ų124.282%0.81974%0.739SS**  trans69175135.7-56.2-30.7000119.2
559P41.9Very low29.9Very low109 Ų109127.7 Ų127.771%0.70875%0.746SS**  cis-129.7-174.5-27.620.53.5000113.4
560I30.9Very low30.4Very low158 Ų158124.5 Ų124.581%0.8174%0.736SS**  155.2145.1124.3-79.5163.3000113.4
561T31.1Very low30.2Very low112 Ų112126.4 Ų126.469%0.68774%0.735SS**  trans-109.6174.4178.858.60000111.7
562P36.3Very low30.1Very low120 Ų120129 Ų12978%0.77974%0.743SS**  -133.9171.376.415.59.3000112.8
563S25Very low30.1Very low85 Ų85126.8 Ų126.859%0.59474%0.74SS**  cis101.913519.5-56.40000116.3
564D24.7Very low29.9Very low159 Ų159128.3 Ų128.385%0.8574%0.744SS**  trans71.8147.2156.3-56.8-34.6000120.5
565S25.8Very low29.8Very low98 Ų98127.5 Ų127.569%0.68575%0.75SS**  cis-162.1167.7-10.659.20000114.5
566S26.5Very low29.8Very low95 Ų95127 Ų12766%0.66475%0.75SS**  trans54.6116.8146.856.60000121.6
567E25.9Very low29.7Very low182 Ų182127 Ų12785%0.8575%0.753SS**  73.8146.367.5-175.9168.4-177.800114.3
568P45.6Very low29.7Very low96 Ų96132.4 Ų132.462%0.62377%0.767SS**  cis-136.8-171.21.930-4.9000118.6
569Q24.2Very low30.3Very low179 Ų179130.1 Ų130.184%0.83677%0.768SS**  trans91.7161.9136.2-96.4180-14.800122
570P41.6Very low29.5Very low105 Ų105127.5 Ų127.568%0.68276%0.761SS**  -144.9-160.1-121.343.7-19.9000118.2
571L25Very low29.4Very low167 Ų167127.1 Ų127.187%0.87477%0.766SS**  trans89.5160.7157.8-73.8166.3000120.5
572S25.1Very low29.3Very low114 Ų114127.6 Ų127.680%0.79777%0.774SS**  trans-125.6152.3-154.6-38.30000114.3
573A26Very low28.7Very low96 Ų96128.4 Ų128.479%0.79378%0.777SS**  trans-170156.1152.100000110.4
574T26.7Very low28.8Very low143 Ų143129.8 Ų129.888%0.87779%0.787SS**  cis-166.9137.8-27.7-81.20000106.3
575G25.6Very low28.7Very low74 Ų74128.1 Ų128.176%0.76379%0.787SS**  trans178.287.9177.300000117.3
576H26.3Very low29Very low168 Ų168131.6 Ų131.678%0.77880%0.797SS**  trans-63.6155.5161.1-100.3-132.2000110.4
577L28.3Very low28.8Very low157 Ų157132.5 Ų132.582%0.82280%0.795SS**  cis-147.5160.742.1-77.2166.7000114.7
578F30.6Very low28.9Very low186 Ų186135.9 Ų135.982%0.81680%0.8SS**  trans-79.8177.8164.3-81.5-77.7000111.9
579P42.9Very low27.9Very low130 Ų130134.9 Ų134.984%0.84480%0.795SS**  cis-136.8-177.922.641.8-22.1000116.2
580G26.4Very low27.9Very low54 Ų54136.8 Ų136.856%0.55780%0.795SS**  cis165.2170.9-9.900000114
581T27.6Very low27.1Very low150 Ų150143.5 Ų143.592%0.9281%0.807SS**  trans50.7111.1166.855.70000120.2
582S28.8Very low27.2Very low122 Ų122142.9 Ų142.985%0.85380%0.804SS**  trans-90.2145.7169.2-34.30000112.9
583T25.3Very low27.7Very low136 Ų136142 Ų14283%0.83480%0.796SS**  trans-147.7146.7147.1490000112.2
584S25.4Very low27.6Very low115 Ų115144.3 Ų144.380%0.80480%0.8SS**  trans2.1130.8161.155.80000122.2
585S23.8Very low27.7Very low123 Ų123141.1 Ų141.186%0.8680%0.796SS**  -153.5153.6123.6-167.40000111.3
586L31Very low27.8Very low171 Ų171144.7 Ų144.790%0.89580%0.798SS**  trans-87.8142.1164.3-71153.6000109.8
587D23.9Very low27.9Very low114 Ų114144.4 Ų144.461%0.6180%0.797SS**  -167.6145.7119-176.134.4000109S589D587-S589 PolarHBondContact OD1-N 2.99Å; D587-S589 VanDerWaalsContact OD1-N 3.14Å; D587-S589 PolarHBondContact OD2-N 2.86Å; D587-S589 PolarHBondContact OD2-OG 2.96Å
588W26.2Very low27.8Very low254 Ų254141.2 Ų141.296%0.96278%0.784SS**  trans-150.264.9161.4-84.9112.3000109.8
589S25.7Very low27.5Very low75 Ų75140.7 Ų140.752%0.52478%0.784SS.*  trans-66.4156.1162.656.40000111.7D587D587-S589 PolarHBondContact OD1-N 2.99Å; D587-S589 VanDerWaalsContact OD1-N 3.14Å; D587-S589 PolarHBondContact OD2-N 2.86Å; D587-S589 PolarHBondContact OD2-OG 2.96Å
590R24.3Very low26.6Very low218 Ų218139.3 Ų139.382%0.82378%0.777SS**  trans72.8108.7162.9-168.1-169.1-51.6-94.7-7.4118.6
591W24.3Very low26.6Very low247 Ų247140.4 Ų140.494%0.93678%0.776SS**  trans-118.7113.9138.7-8872.8000109.9
592N26.7Very low26.6Very low153 Ų153142.7 Ų142.782%0.81877%0.774SS**  trans-159146.5143.8-108.4-24.9000108
593P35.8Very low26.5Very low97 Ų97142 Ų14263%0.6377%0.769SS**  trans-117.6-171.7-144.142-32.8000114.9
594T24.9Very low26.5Very low143 Ų143143.6 Ų143.688%0.87777%0.767SS**  trans81.6125169-11.80000115.7
595G27.6Very low26.6Very low77 Ų77143 Ų14379%0.79476%0.758SS**  trans161.975-175.200000111
596D28.6Very low26.9Very low148 Ų148144 Ų14479%0.79175%0.754SS**  trans-61.8151.6-168.6-102.6-34000116.5
597Q28.8Very low26.8Very low162 Ų162140.4 Ų140.476%0.75774%0.743SS**  trans70.3157.2153.7-56.7-10331.100118.5
598T25.1Very low27Very low90 Ų90145 Ų14555%0.55276%0.758SS**  cis178.1133.5-33.1-92.10000106.5
599E25.1Very low27Very low175 Ų175136.7 Ų136.782%0.81875%0.751SS**  trans64.8128.2161.7-78.2173.1-129.600118.7
600S23.6Very low27.1Very low101 Ų101141.9 Ų141.971%0.70677%0.767SS**  92.313584-1710000113
601S26Very low27.3Very low77 Ų77138.9 Ų138.954%0.53876%0.76SS.*  cis-172.7177.5-10.452.10000111.3
602K28.4Very low27.5Very low198 Ų198134.7 Ų134.786%0.86175%0.751SS**  trans70.9164.1154.3-71.2163-176.31670116.3
603S26.5Very low27.5Very low109 Ų109130.9 Ų130.976%0.76275%0.748SS**  cis-147.8166.412.567.90000113.6
604Q24.9Very low27.2Very low169 Ų169135.4 Ų135.479%0.7976%0.758SS**  -156.4132.1128.5-121.3-161.3-99.500112.4
605T27.5Very low27.4Very low101 Ų101136.8 Ų136.862%0.6275%0.752SS**  trans34137.9143.254.30000121
606D30.1Very low27.3Very low144 Ų144139.5 Ų139.577%0.7775%0.748SS**  cis-169.1159.10.7-125.3-41.5000108.6
607S29.6Very low27.2Very low96 Ų96137.4 Ų137.467%0.67175%0.751SS**  174170.664.248.70000113.1
608K26.9Very low27.1Very low211 Ų211137.9 Ų137.992%0.91776%0.758SS**  trans69.4117.8159.6-81.4-179.9173.7174.30120.4
609G27.1Very low27.1Very low80 Ų80138.3 Ų138.383%0.82577%0.765SS**  trans163.8111.4155.100000115.3
610Q27.6Very low27.2Very low183 Ų183136.7 Ų136.786%0.85576%0.761SS**  trans-83.7168.8159.9-67.4-174-33.600109.1
611K28.6Very low27.3Very low156 Ų156142.4 Ų142.468%0.67877%0.767SS**  cis-167.7152.726-152.5179.5-178.8-1310112.6
612E27.8Very low27.3Very low159 Ų159142.7 Ų142.774%0.74377%0.774SS**  trans62.1150.5149.6-92.6174.412500124.4
613G27.2Very low27.5Very low73 Ų73138.9 Ų138.975%0.75377%0.772SS**  trans95.692.3166.900000115.6
614K29Very low27.5Very low191 Ų191142.2 Ų142.283%0.8377%0.773SS**  cis95.2125.322.6-159.8-177.6-175.6174.60114.2
615K29.2Very low27.8Very low173 Ų173139.8 Ų139.875%0.75277%0.77SS**  trans78.2159.9177.9-58.4-156162.7-163.50117.3
616D25.8Very low27.6Very low133 Ų133142.6 Ų142.671%0.71178%0.776SS**  cis-177.5133.6-34.8-86.3-27.9000106
617A26.6Very low27.5Very low104 Ų104142.7 Ų142.786%0.8678%0.776SS**  trans178144.9148.900000113.5
618L27.1Very low27.4Very low172 Ų172145 Ų14590%0.90178%0.78SS**  trans-103.5175.4160.8-58.9125.5000108.9
619S23.8Very low27.5Very low100 Ų100140.3 Ų140.370%0.69977%0.765SS**  157.4120.4119.8-1660000116.4
620L27.3Very low27.7Very low141 Ų141144.8 Ų144.874%0.73876%0.762SS**  trans56.8126135.9-66.6177.1000125.5
621R27.1Very low27.6Very low221 Ų221141.3 Ų141.383%0.83476%0.758SS**  99.8151.8116.2176.9179.5-78.1171.9-5.4121.4
622A24.7Very low28.2Very low83 Ų83139 Ų13969%0.68676%0.759SS**  trans86.3119.8173.500000115.3
623S32.5Very low28.3Very low117 Ų117136.2 Ų136.282%0.81876%0.757SS**  cis88.6139.137.981.60000113.3
624K28Very low28.3Very low180 Ų180139.2 Ų139.278%0.78376%0.756SS**  cis-162.5171.714.6-169.4-177170.4-175.60110.6
625T29.7Very low28.4Very low118 Ų118133.6 Ų133.672%0.72474%0.741SS**  trans86.7152.1161.570.80000119.1
626Q24.2Very low28.4Very low159 Ų159134 Ų13474%0.74374%0.743SS**  cis-169.6160.7-33.8-176.9158.4-20.700110.2
627L28.1Very low28.7Very low146 Ų146136 Ų13676%0.76475%0.747SS**  trans85.3107.3169.9-128.671.2000114.9
628D28.4Very low28.7Very low144 Ų144137.8 Ų137.877%0.7774%0.742SS**  72.2126.374.6-116.3-129.3000112.9
629D28.4Very low28.6Very low113 Ų113135.6 Ų135.660%0.60473%0.731SS**  cis-159.3173.4-1.5-17121000111.7
630K31.1Very low29Very low174 Ų174137.7 Ų137.776%0.75773%0.733SS**  trans78.296.1166.6-74.3171-174.6670119.9
631S25.6Very low29.4Very low110 Ų110136.2 Ų136.277%0.76973%0.732SS**  trans-83.4-164154.262.30000110
632P41Very low29.2Very low107 Ų107132.9 Ų132.970%0.69573%0.731SS**  cis-142.21705.142.6-23.9000119
633S30.1Very low29.4Very low102 Ų102134.5 Ų134.571%0.71374%0.737SS**  trans61.8156.4147-83.20000119.8
634D27.1Very low29.2Very low135 Ų135132.9 Ų132.972%0.72273%0.731SS**  cis-150.5175.8-2-119.4-54.1000107.3
635S31.7Very low29.4Very low74 Ų74134.9 Ų134.952%0.51773%0.734SS.*  -159.4160.4-78.166.10000106.9
636K29.1Very low29.4Very low181 Ų181136.7 Ų136.779%0.78774%0.739SS**  trans66.8150.9163.8-63.4166.2-176.2164.90117.1
637Q30.5Very low29.6Very low174 Ų174140.4 Ų140.481%0.81375%0.746SS**  cis-147.1158.6-1.7-138.2159.4-40.700112.7
638L27.4Very low29.5Very low142 Ų142138.2 Ų138.274%0.74374%0.743SS**  trans-79.9141.2177.4-6863.9000111.9
639N24.7Very low29.5Very low126 Ų126136.7 Ų136.767%0.67474%0.739SS**  166.7121.599.2-92.7-46.7000114.5
640I32.3Very low29.3Very low145 Ų145135.9 Ų135.974%0.74474%0.741SS**  12.2124.3126.2-64.9153.8000115.2
641P35.4Very low29.3Very low109 Ų109137.3 Ų137.371%0.70875%0.748SS**  -147.1153.68640.1-23.7000118.9
642N24.2Very low29.3Very low151 Ų151137.6 Ų137.681%0.80775%0.75SS**  trans22.6123.4139.3-51.5-11.8000119.8
643S27.9Very low28.8Very low117 Ų117141.9 Ų141.982%0.81876%0.758SS**  -159.7144.5118.5-169.10000111.2
644A28.6Very low28.7Very low84 Ų84144.6 Ų144.669%0.69476%0.764SS**  trans-88.9132.6167.700000110.4
645R31.9Very low28.8Very low222 Ų222146.9 Ų146.984%0.83877%0.768SS**  trans-162.3146.6134.4-137.6154.4-73.9-144-2.5113
646D30.4Very low28.8Very low155 Ų155150.5 Ų150.583%0.82978%0.781SS**  trans-59.4147.5166.8-39.3-97.2000110.7
647W28.4Very low28.7Very low238 Ų238145.1 Ų145.190%0.90278%0.777SS**  trans-146.4158.5152.163.4-81.3000110.1
648S25.5Very low28.8Very low99 Ų99146.7 Ų146.769%0.69278%0.781SS**  trans-133.6171.2-169.1-169.20000110
649V27.8Very low28.7Very low113 Ų113143.4 Ų143.469%0.68578%0.781SS**  trans76.9105.5165.4-1770000117.7
650S25.4Very low29.1Very low95 Ų95142.9 Ų142.966%0.66479%0.788SS**  trans69.2125.7137.2-620000123.8
651F30.2Very low29.2Very low205 Ų205143.3 Ų143.390%0.89979%0.787SS**  trans33.7101.5135.9-59.4-73.9000119.4
652S26.1Very low28.9Very low115 Ų115148.2 Ų148.280%0.80479%0.791SS**  trans-90.1127.6154.8550000111.3
653K30Very low29.5Very low197 Ų197149.1 Ų149.186%0.85779%0.788SS**  trans-96.4113.5169.3174.7179.1178.5175.30108.2
654N28.4Very low29.5Very low159 Ų159150.8 Ų150.885%0.8579%0.786SS**  trans-62.2144.3175.6-92.43.2000111.6
655K29.3Very low29.3Very low184 Ų184149.8 Ų149.880%0.878%0.783SS**  trans-142.6122.8-176.4169-168.8169.6-1760109.2
656D30.5Very low29.1Very low150 Ų150149.9 Ų149.980%0.80279%0.79SS**  trans-164.1160.7141.2-102.9-32.2000108.7
657G27.4Very low28.9Very low68 Ų68145.9 Ų145.970%0.70179%0.785SS**  cis-139.4-14511.600000116.2
658K32.5Very low28.9Very low207 Ų207141.6 Ų141.690%0.978%0.78SS**  trans-110155.6-154.5-68.5170.5175.7166.40116.4
659G26.2Very low29.2Very low72 Ų72145.1 Ų145.174%0.74279%0.786SS**  trans170.7113.5156.600000109.7
660S33.1Very low29.3Very low115 Ų115144.1 Ų144.180%0.80478%0.784SS**  cis72.7126.521.8-136.40000113.1
661Q34.8Very low29.3Very low155 Ų155146.2 Ų146.272%0.72479%0.787SS**  cis-170.3156.9-0.4-155.2-160.737.400111
662R29.2Very low29.4Very low211 Ų211141.5 Ų141.580%0.79678%0.78SS**  trans164131.2131.6-92.8171.6-177.8-166.31.2113.4
663K35Very low29.7Very low171 Ų171141.5 Ų141.574%0.74378%0.775SS**  59.2133.498.2-73.9-171.6165.1-168.80114
664I27.9Very low29.7Very low152 Ų152137.8 Ų137.878%0.77977%0.769SS**  cis-159.11639.7-104.9158000107.8
665G26.4Very low29.8Very low62 Ų62136.8 Ų136.864%0.63976%0.763SS**  cis140.2134-700000115.2
666K26.8Very low29.7Very low225 Ų225134.6 Ų134.698%0.97876%0.76SS**  trans82.6129.1172.5-144.5-166.7-172.9-158.30118
667G26.8Very low29.5Very low70 Ų70134.9 Ų134.972%0.72276%0.76SS**  trans154.284.2167.800000117.5
668D28Very low29.5Very low148 Ų148135.8 Ų135.879%0.79176%0.756SS**  trans45.1143.8149.1-62.611000126.5
669Q31.2Very low29.1Very low174 Ų174134.6 Ų134.681%0.81375%0.754SS**  trans78.6107.7151.1-78.6175.97500123.8
670S30.3Very low29.2Very low92 Ų92140.6 Ų140.664%0.64376%0.76SS**  69.8106.2122.9-76.70000124.8
671D25.7Very low30.1Very low139 Ų139141 Ų14174%0.74376%0.759SS**  81.5131.2116.8-57.9-45.6000123.9
672S31.7Very low29.8Very low106 Ų106137.8 Ų137.874%0.74176%0.759SS**  trans75.6143.4150.8-61.40000119.5
673T31.9Very low29.6Very low114 Ų114132.4 Ų132.470%0.69975%0.754SS**  cis-162.9145.1-6.615.30000111.9
674T29.9Very low29.4Very low120 Ų120132.3 Ų132.374%0.73676%0.758SS**  trans59.3159.4146.756.60000122.3
675N30.8Very low29.5Very low137 Ų137129.9 Ų129.973%0.73375%0.75SS**  cis-180166.5-45.3-107.7-30.1000110.3
676L26.7Very low29.7Very low139 Ų139135.7 Ų135.773%0.72876%0.761SS**  trans77.5134.2159.8-49-165.9000120.9
677L26.9Very low29.7Very low155 Ų155133.3 Ų133.381%0.81275%0.753SS**  trans56.6156132-8350.9000120.7
678S26.8Very low30.3Very low87 Ų87135.8 Ų135.861%0.60875%0.754SS**  cis-165.5163.7-16.8-165.40000110.6
679Q25.6Very low30.2Very low182 Ų182138 Ų13885%0.8576%0.757SS**  trans60.3113151.6-80.6162.512.900122.6
680K26.8Very low30Very low199 Ų199136.4 Ų136.487%0.86575%0.754SS**  trans-38.3165.8138-102.5-175.8169.2-177.10114
681P53.4Low29.8Very low123 Ų123137.1 Ų137.180%0.79976%0.759SS**  cis-125-147.528.330-5.2000112.5
682A28.8Very low29.7Very low87 Ų87135.2 Ų135.272%0.71976%0.757SS**  cis-158.9-177.48.600000114.6
683S23.9Very low29.5Very low98 Ų98136.9 Ų136.969%0.68576%0.756SS**  trans9131.6148.8-151.90000120.4
684M31Very low29.2Very low169 Ų169139 Ų13983%0.83376%0.756SS**  60.7130.461.1-132-166-54.600111.5
685V30.4Very low29.2Very low102 Ų102145.1 Ų145.162%0.61877%0.766SS**  -157.9155.855.1169.80000112.4
686E30.6Very low29Very low184 Ų184144.9 Ų144.986%0.8676%0.76SS**  trans61.3160.8167.7-78.9167.1131.700117.4
687Q27.5Very low29.3Very low175 Ų175147.9 Ų147.982%0.81877%0.767SS**  cis-147.2159.825.6-170.9174.2-12.900112.3
688V38.7Very low29.7Very low122 Ų122145.6 Ų145.674%0.73976%0.756SS**  trans-79.3134.9179.1175.10000112.1
689F26.3Very low29.9Very low193 Ų193147.2 Ų147.285%0.84677%0.767SS**  trans-151.2146.3149.7-115.2-77.4000113.4
690N25.6Very low30.1Very low142 Ų142144.2 Ų144.276%0.75977%0.766SS**  trans-81.5146.9165.5-65.9-78.5000110
691S26.1Very low30.6Very low107 Ų107143 Ų14375%0.74877%0.768SS**  174.6123.6121.655.90000114.3
692S24.6Very low29.7Very low99 Ų99144.2 Ų144.269%0.69277%0.774SS**  trans33155.5133.268.30000125
693L27.4Very low29.6Very low140 Ų140144.1 Ų144.173%0.73378%0.781SS**  trans90.2151.9142.7-85.1165.5000122.2
694F26.5Very low29.6Very low159 Ų159143.4 Ų143.470%0.69779%0.789SS**  trans54.2104.8170.3-67.2-68.8000121.3
695R29.3Very low29.8Very low248 Ų248144.3 Ų144.394%0.93680%0.796SS**  trans-124.588.9135.2-86.3-62.4-169-160-1.9111.5
696H26.7Very low29.8Very low132 Ų132143 Ų14361%0.61180%0.803SS**  trans-61.7137.4155.3-132.3-86.8000108.9D698H696-D698 IonicContact CE1-OD1 2.73Å; H696-D698 PolarHBondContact CE1-OD1 2.77Å; H696-D698 IonicContact CE1-OD2 3.22Å; H696-D698 IonicContact CG-OD2 3.66Å; H696-D698 IonicContact ND1-OD1 3.82Å; H696-D698 PolarHBondContact ND1-OD1 3.29Å; H696-D698 IonicContact ND1-OD2 3.5Å; H696-D698 PolarHBondContact ND1-OD2 3.46Å
697K32.7Very low29.7Very low203 Ų203140.8 Ų140.888%0.88381%0.808SS**  trans-160.4122.7150.1-164.2167.4-176.4178.50111.8
698D36Very low29.7Very low107 Ų107136 Ų13657%0.57281%0.806SS**  trans-102.4-179.5-168.8-46.5-97.3000112.6H696H696-D698 IonicContact CE1-OD1 2.73Å; H696-D698 PolarHBondContact CE1-OD1 2.77Å; H696-D698 IonicContact CE1-OD2 3.22Å; H696-D698 IonicContact CG-OD2 3.66Å; H696-D698 IonicContact ND1-OD1 3.82Å; H696-D698 PolarHBondContact ND1-OD1 3.29Å; H696-D698 IonicContact ND1-OD2 3.5Å; H696-D698 PolarHBondContact ND1-OD2 3.46Å
699S31.1Very low29.4Very low120 Ų120139.8 Ų139.884%0.83981%0.812SS**  trans85.9135.4174.7-41.10000115.8
700S28.1Very low29.6Very low119 Ų119136.6 Ų136.683%0.83281%0.809SS**  cis-158.4156.7-6.349.50000111.4
701L37.5Very low29.8Very low173 Ų173137.5 Ų137.591%0.90681%0.812SS**  trans-97.7129.2-176.4-71.7168.7000114.1
702T34.4Very low30.2Very low150 Ų150138.4 Ų138.492%0.9281%0.808SS**  trans-160.9144.2148.343.70000107.4
703G26.5Very low30.6Very low84 Ų84139 Ų13987%0.86681%0.81SS**  cis156.8108.2-7.100000110.3
704G25.2Very low31Very low84 Ų84143 Ų14387%0.86682%0.815SS**  trans-178.5151-177.800000114.4
705L34.8Very low31.3Very low187 Ų187143.8 Ų143.898%0.97983%0.825SS**  trans-109.1154.6-172.6-67.5161.2000111.9
706G29.9Very low31.2Very low74 Ų74136.9 Ų136.976%0.76382%0.821SS**  trans179.762.2175.700000121.2
707S29.2Very low31.5Very low138 Ų138140.4 Ų140.497%0.96584%0.838SS**  trans61.8161.2149.5-154.50000121.5
708G26.9Very low31.2Very low74 Ų74134 Ų13476%0.76383%0.829SS**  trans117.8112.1163.700000116.3
709K33.1Very low30.9Very low202 Ų202140.7 Ų140.788%0.87885%0.847SS**  trans-122.6129.7171-102.3-168.6175.4-1770111.1
710V30.9Very low31Very low127 Ų127138.6 Ų138.677%0.7784%0.844SS**  trans55.7119.2142.8-169.60000119.1
711I29.7Very low31Very low161 Ų161143.8 Ų143.883%0.82685%0.846SS**  -176.3143.5121.7-93.1162.1000109.3
712D33.2Very low30.7Very low125 Ų125139.7 Ų139.767%0.66884%0.837SS**  trans-84.8145174.717145000111.3R714D712-R714 PolarHBondContact OD1-N 3.48Å
713P33.1Very low30.5Very low113 Ų113138.4 Ų138.473%0.73482%0.823SS**  -140139127.836.7-24.4000115.7L715P713-L715 PolarHBondContact O-N 2.95Å
714R35.5Very low30.7Very low223 Ų223145.6 Ų145.684%0.84282%0.824SS**  trans-59.5117.6167.1-52172.1-175.3178.7-0.9112.6D712D712-R714 PolarHBondContact OD1-N 3.48Å
715L32.7Very low31.1Very low175 Ų175146.8 Ų146.892%0.91682%0.815SS**  trans176.898.1133.6-103.1165.5000112.8P713P713-L715 PolarHBondContact O-N 2.95Å
716A28.7Very low31.5Very low103 Ų103143 Ų14385%0.85180%0.799SS**  trans-160.4130.7155.500000110.1
717E31.6Very low31.9Very low207 Ų207146.1 Ų146.197%0.96780%0.798SS**  trans-101.2121.9-178.7-176.7178.1-177.900110.1
718G27.1Very low32.2Very low67 Ų67146.3 Ų146.369%0.69179%0.788SS**  trans175.2111.1178.700000118.6
719R30.1Very low32.8Very low248 Ų248151.4 Ų151.494%0.93679%0.785SS**  trans44.591.7148.3-61.3-179.3-177.6-106.31.6119.1
720G32.5Very low33.2Very low77 Ų77149.7 Ų149.779%0.79478%0.78SS**  78.798.8100.400000119.6
721R27.6Very low33.5Very low227 Ų227147.7 Ų147.786%0.85778%0.777SS**  trans-151.5133.3134-146.1170.3-70.6-127.73.2109I723R721-I723 HydrophobicContact CG-CG1 4.32Å
722A32.1Very low33.8Very low87 Ų87150.7 Ų150.772%0.71978%0.777SS**  trans-105.1107.2169.900000107.6
723I29.1Very low34Very low124 Ų124152.1 Ų152.164%0.63678%0.783SS**  trans-103.5110174-63.2174.7000106.1R721 T725R721-I723 HydrophobicContact CG-CG1 4.32Å; I723-T725 HydrophobicContact CG2-CG2 3.96Å; I723-T725 PolarHBondContact O-N 2.83Å
724W31.3Very low33.8Very low235 Ų235150.9 Ų150.989%0.8978%0.778SS**  trans-88.687.7174.5-72.595.6000109.3
725T33.8Very low33.8Very low109 Ų109146.1 Ų146.167%0.66978%0.776SS**  trans-106.4124166.240.40000109.1I723 D727I723-T725 HydrophobicContact CG2-CG2 3.96Å; I723-T725 PolarHBondContact O-N 2.83Å; T725-D727 PolarHBondContact O-N 3.42Å
726V43.4Very low34Very low106 Ų106145.3 Ų145.364%0.64277%0.771SS**SBendtrans-89.683.8-178.7-179.10000108.2
727D38.4Very low34.3Very low141 Ų141147.5 Ų147.575%0.75477%0.769SS**  trans-153.1-0.2-174.5-151.631.2000114.9T725T725-D727 PolarHBondContact O-N 3.42Å
728D34.5Very low34.8Very low141 Ų141144.6 Ų144.675%0.75476%0.759SS**SBendtrans-117.326.6-173.3-16024.7000113
729R39.8Very low35.4Very low181 Ų181150.8 Ų150.868%0.68377%0.77SS**SBendtrans-99.5-20.3-177.1-55.2-171.6-168.4-160.27.4113.8
730E42.8Very low35.9Very low166 Ų166141.8 Ų141.878%0.77675%0.754SS**SBendtrans-103.2-18.3-161.2-63.9173.1-153.100112.7R732E730-R732 PolarHBondContact O-N 2.87Å
731A37.3Very low36.1Very low85 Ų85144.6 Ų144.670%0.70275%0.747SS**THydrogen-bonded Turntrans-87.714.9-170.100000115.8
732R36.3Very low36.7Very low224 Ų224143.1 Ų143.185%0.84575%0.749SS**THydrogen-bonded Turntrans-133.26.8-169.3-63.9-67.9-82.7-152.6-9.3116.7E730 S734E730-R732 PolarHBondContact O-N 2.87Å; R732-S734 PolarHBondContact O-N 3.34Å
733I36.5Very low37.1Very low155 Ų155143.8 Ų143.880%0.79575%0.749SS**  trans-84.2107.8172.5-53.5179.1000109.1
734S28.1Very low37.9Very low88 Ų88143.9 Ų143.962%0.61575%0.75SS**  trans-80.5141.9173.5-1710000110.2R732 L736R732-S734 PolarHBondContact O-N 3.34Å; S734-L736 PolarHBondContact O-N 3.36Å
735P35.7Very low38.5Very low123 Ų123137.5 Ų137.580%0.79973%0.733SS**THydrogen-bonded Turntrans-73.323.5-170.2-18.733.7000116.7
736L37.8Very low39.5Very low157 Ų157137.6 Ų137.682%0.82274%0.736SS**THydrogen-bonded Turntrans-129.519.7-161-145.976.2000115.5S734S734-L736 PolarHBondContact O-N 3.36Å
737D35.6Very low39.8Very low149 Ų149139.6 Ų139.680%0.79774%0.743SS**  trans-124.715177.7-148.319.8000113.4Q739D737-Q739 PolarHBondContact O-N 3.48Å; D737-Q739 VanDerWaalsContact O-N 3.17Å
738L41.7Very low40.1Very low147 Ų147136.9 Ų136.977%0.7773%0.728SS**THydrogen-bonded Turntrans-73.14.2173.4-93.1166.5000113.7
739Q39.3Very low41.1Very low197 Ų197136.4 Ų136.492%0.92172%0.723SS**THydrogen-bonded Turntrans-103.730.1-174.7-157.1162.8-1.400113.1D737D737-Q739 PolarHBondContact O-N 3.48Å; D737-Q739 VanDerWaalsContact O-N 3.17Å
740G40.2Very low41.7Very low58 Ų58134.2 Ų134.260%0.59872%0.721SS**  trans-122.1-8172.600000115.6E742G740-E742 VanDerWaalsContact C-N 3.32Å; G740-E742 PolarHBondContact O-N 2.91Å; G740-E742 VanDerWaalsContact O-N 3.08Å
741Q37Very low42Very low136 Ų136131.3 Ų131.364%0.63671%0.706SS**  trans-85.955.3-176.1-76.4-151.1-52.900114.1
742E40Very low43Very low196 Ų196135.1 Ų135.192%0.91670%0.702SS**  trans-125.434177.4-150.4163.7-140.200113.5G740G740-E742 VanDerWaalsContact C-N 3.32Å; G740-E742 PolarHBondContact O-N 2.91Å; G740-E742 VanDerWaalsContact O-N 3.08Å
743S40.8Very low44.1Very low102 Ų102129.6 Ų129.671%0.71369%0.687SS**  trans-14834.417660.60000114.6N745S743-N745 VanDerWaalsContact C-N 3.29Å; S743-N745 PolarHBondContact O-N 3.18Å
744L45.3Very low44.8Very low125 Ų125127.9 Ų127.965%0.65468%0.68SS**  trans-68.280.3174.6-78.1165.1000112.1
745N45.2Very low45.8Very low101 Ų101130.1 Ų130.154%0.5469%0.685SS.*  trans-89.3118.6173.9-174.8-20.9000109.9S743 N747 N748S743-N745 VanDerWaalsContact C-N 3.29Å; S743-N745 PolarHBondContact O-N 3.18Å; N745-N747 PolarHBondContact O-N 2.92Å; N745-N747 VanDerWaalsContact O-N 3.11Å; N745-N747 PolarHBondContact OD1-N 3.39Å; N745-N747 VanDerWaalsContact OD1-N 3.16Å; N745-N748 PolarHBondContact O-N 3.28Å
746P53.1Low46.5Very low112 Ų112130.7 Ų130.773%0.72768%0.68SS**THydrogen-bonded Turntrans-65.6-15.5-174.726.7-35.5000114.4
747N50.5Low46.8Very low148 Ų148128.7 Ų128.779%0.79166%0.662SS**THydrogen-bonded Turntrans-85-2.9173.4-78.5-7000113.8N745 M749N745-N747 PolarHBondContact O-N 2.92Å; N745-N747 VanDerWaalsContact O-N 3.11Å; N745-N747 PolarHBondContact OD1-N 3.39Å; N745-N747 VanDerWaalsContact OD1-N 3.16Å; N747-M749 PolarHBondContact O-N 2.93Å
748N45.5Very low47.3Very low83 Ų83126.3 Ų126.344%0.44465%0.653SS.*  trans-79.385.7174.9-1699000111.1N745 E750 F751N745-N748 PolarHBondContact O-N 3.28Å; N748-E750 PolarHBondContact O-N 3.03Å; N748-E750 WeakPolarHBondContact OD1-CB 3.31Å; N748-E750 PolarHBondContact OD1-N 2.73Å; N748-F751 PolarHBondContact O-N 3.19Å
749M55.5Low47.7Very low131 Ų131125.7 Ų125.765%0.64566%0.658SS**Hα-helixtrans-63.6-19.6-178.9-150.8175.785.100113.3N747 W752 M753N747-M749 PolarHBondContact O-N 2.93Å; M749-W752 PolarHBondContact O-N 2.85Å; M749-M753 HydrophobicContact CE-CG 4.46Å; M749-M753 HydrophobicContact CE-SD 3.51Å; M749-M753 VanDerWaalsContact CE-SD 3.51Å; M749-M753 WeakPolarHBondContact O-CG 3.44Å; M749-M753 PolarHBondContact O-N 2.95Å
750E52.7Low48.2Very low136 Ų136118.1 Ų118.164%0.63663%0.632SS**Hα-helixtrans-65.7-39.9-177.9-158.6159.1-13400111.9N748 W752 M753 D754N748-E750 PolarHBondContact O-N 3.03Å; N748-E750 WeakPolarHBondContact OD1-CB 3.31Å; N748-E750 PolarHBondContact OD1-N 2.73Å; E750-W752 PolarHBondContact O-N 3.09Å; E750-M753 PolarHBondContact O-N 3.28Å; E750-M753 VanDerWaalsContact O-N 3.11Å; E750-D754 PolarHBondContact O-N 2.85Å
751F47.6Very low48.6Very low105 Ų105122.2 Ų122.246%0.46163%0.631SS.*Hα-helixtrans-60.1-42.8175179.1-99000112.5N748 M753N748-F751 PolarHBondContact O-N 3.19Å; F751-M753 VanDerWaalsContact C-N 3.33Å
752W59.1Low49.4Very low165 Ų165118.5 Ų118.563%0.62562%0.615SS**Hα-helixtrans-74.7-22.9176.8-68.1104.9000113M749 E750 I756M749-W752 PolarHBondContact O-N 2.85Å; E750-W752 PolarHBondContact O-N 3.09Å; W752-I756 VanDerWaalsContact O-CD1 3.3Å; W752-I756 WeakPolarHBondContact O-CD1 3.23Å; W752-I756 VanDerWaalsContact O-CG1 3.25Å; W752-I756 WeakPolarHBondContact O-CG1 3.36Å
753M59.4Low50.3Low108 Ų108111.2 Ų111.253%0.53259%0.593SS.*Hα-helixtrans-78.8-37.7174.7-79.1-177.356.800112.8M749 E750 F751 I756 Y757M749-M753 HydrophobicContact CE-CG 4.46Å; M749-M753 HydrophobicContact CE-SD 3.51Å; M749-M753 VanDerWaalsContact CE-SD 3.51Å; M749-M753 WeakPolarHBondContact O-CG 3.44Å; M749-M753 PolarHBondContact O-N 2.95Å; E750-M753 PolarHBondContact O-N 3.28Å; E750-M753 VanDerWaalsContact O-N 3.11Å; F751-M753 VanDerWaalsContact C-N 3.33Å; M753-I756 PolarHBondContact O-N 3.36Å; M753-Y757 WeakPolarHBondContact O-CB 3.28Å; M753-Y757 PolarHBondContact O-N 3.18Å
754D49.9Very low50.9Low118 Ų118111.6 Ų111.663%0.63159%0.586SS**Hα-helixtrans-62.9-44179.9-89.5-16.6000112.3E750 I756 Y757E750-D754 PolarHBondContact O-N 2.85Å; D754-I756 VanDerWaalsContact C-N 3.3Å; D754-I756 PolarHBondContact O-N 3.01Å; D754-Y757 PolarHBondContact O-N 3.05Å
755D51Low51.5Low135 Ų135109.2 Ų109.272%0.72257%0.574SS**Hα-helixtrans-70.6-23.5176.5-94.2-17.7000113.4
756I50Low52.1Low135 Ų135112.3 Ų112.369%0.69258%0.578SS**Hα-helixtrans-80.6-28.6171.8-67.8174.1000111W752 M753 D754 T758W752-I756 VanDerWaalsContact O-CD1 3.3Å; W752-I756 WeakPolarHBondContact O-CD1 3.23Å; W752-I756 VanDerWaalsContact O-CG1 3.25Å; W752-I756 WeakPolarHBondContact O-CG1 3.36Å; M753-I756 PolarHBondContact O-N 3.36Å; D754-I756 VanDerWaalsContact C-N 3.3Å; D754-I756 PolarHBondContact O-N 3.01Å; I756-T758 VanDerWaalsContact C-N 3.3Å; I756-T758 PolarHBondContact O-N 3.39Å
757Y43.3Very low52.7Low116 Ų116115.4 Ų115.446%0.45558%0.575SS.*SBendtrans-80.671.5-177.7-153-86.1000112.8M753 D754 P759 D762M753-Y757 WeakPolarHBondContact O-CB 3.28Å; M753-Y757 PolarHBondContact O-N 3.18Å; D754-Y757 PolarHBondContact O-N 3.05Å; Y757-P759 WeakPolarHBondContact O-CD 3.19Å; Y757-P759 VanDerWaalsContact O-N 3.1Å; Y757-D762 HydrophobicContact CE1-CB 4.16Å
758T47Very low53.4Low98 Ų98115.8 Ų115.860%0.60157%0.57SS**  trans-45.6118.2177.3-62.70000111.5I756 G760 Y761I756-T758 VanDerWaalsContact C-N 3.3Å; I756-T758 PolarHBondContact O-N 3.39Å; T758-G760 PolarHBondContact O-N 3.46Å; T758-Y761 PolarHBondContact O-N 3.47Å
759P49.8Very low54.5Low135 Ų135116.3 Ų116.388%0.87757%0.569SS**THydrogen-bonded Turntrans-72.120.4-166.727.1-35.9000115.6Y757Y757-P759 WeakPolarHBondContact O-CD 3.19Å; Y757-P759 VanDerWaalsContact O-N 3.1Å
760G48.6Very low54.7Low37 Ų37111.9 Ų111.938%0.38155%0.554SS.*THydrogen-bonded Turntrans-103.2-18.4166.700000114.5T758 G763 L764T758-G760 PolarHBondContact O-N 3.46Å; G760-G763 PolarHBondContact O-N 3.19Å; G760-L764 WeakPolarHBondContact O-CG 3.31Å; G760-L764 PolarHBondContact O-N 3.1Å
761Y48.8Very low55.4Low144 Ų144109.5 Ų109.557%0.56555%0.546SS*.Hα-helixtrans-74.5-45.3-167.3-163-101.2000113.8T758 G763 L764 L765T758-Y761 PolarHBondContact O-N 3.47Å; Y761-G763 PolarHBondContact O-N 3.11Å; Y761-L764 CarbonylContact O-C 3.59Å; Y761-L764 WeakPolarHBondContact O-CA 3.32Å; Y761-L764 WeakPolarHBondContact O-CB 3.39Å; Y761-L764 PolarHBondContact O-N 2.91Å; Y761-L765 HydrophobicContact CD1-CD1 3.87Å; Y761-L765 HydrophobicContact CD1-CG 4.13Å; Y761-L765 HydrophobicContact CE1-CD1 3.73Å; Y761-L765 HydrophobicContact CE1-CD2 4.21Å; Y761-L765 HydrophobicContact CE1-CG 3.91Å; Y761-L765 PolarHBondContact O-N 2.65Å
762D55.1Low56.4Low58 Ų58108.8 Ų108.831%0.3155%0.546SS..Hα-helixtrans-62.7-33.7171.1-170.638.5000111.2Y757 L764 L765 R766Y757-D762 HydrophobicContact CE1-CB 4.16Å; D762-L764 VanDerWaalsContact C-N 3.31Å; D762-L764 PolarHBondContact O-N 2.79Å; D762-L765 PolarHBondContact O-N 2.59Å; D762-R766 WeakPolarHBondContact O-CB 3.28Å; D762-R766 WeakPolarHBondContact O-CG 3.29Å; D762-R766 PolarHBondContact O-N 3.08Å; D762-R766 IonicContact OD1-NE 3.63Å; D762-R766 IonicContact OD2-CZ 3.29Å; D762-R766 VanDerWaalsContact OD2-CZ 3.29Å; D762-R766 IonicContact OD2-NE 2.71Å; D762-R766 PolarHBondContact OD2-NE 3.18Å; D762-R766 IonicContact OD2-NH2 2.97Å; D762-R766 PolarHBondContact OD2-NH2 3.33Å
763G58.5Low56.7Low43 Ų43108.1 Ų108.144%0.44354%0.543SS..Hα-helixtrans-58.3-40.7170.500000112.8G760 Y761 R767G760-G763 PolarHBondContact O-N 3.19Å; Y761-G763 PolarHBondContact O-N 3.11Å; G763-R767 WeakPolarHBondContact O-CB 3.47Å; G763-R767 PolarHBondContact O-N 3.21Å
764L53.8Low57.3Low110 Ų110111.3 Ų111.358%0.57655%0.55SS*.Hα-helixtrans-73.2-38.6174.8-72171.8000112.7G760 Y761 D762 R767 K768G760-L764 WeakPolarHBondContact O-CG 3.31Å; G760-L764 PolarHBondContact O-N 3.1Å; Y761-L764 CarbonylContact O-C 3.59Å; Y761-L764 WeakPolarHBondContact O-CA 3.32Å; Y761-L764 WeakPolarHBondContact O-CB 3.39Å; Y761-L764 PolarHBondContact O-N 2.91Å; D762-L764 VanDerWaalsContact C-N 3.31Å; D762-L764 PolarHBondContact O-N 2.79Å; L764-R767 PolarHBondContact O-N 3.13Å; L764-K768 WeakPolarHBondContact O-CB 3.3Å; L764-K768 PolarHBondContact O-N 2.99Å
765L56.9Low58.4Low76 Ų76110.4 Ų110.440%0.39854%0.544SS..Hα-helixtrans-61.8-53.6173.5-73175.2000110.9Y761 D762 R767 K768 E769Y761-L765 HydrophobicContact CD1-CD1 3.87Å; Y761-L765 HydrophobicContact CD1-CG 4.13Å; Y761-L765 HydrophobicContact CE1-CD1 3.73Å; Y761-L765 HydrophobicContact CE1-CD2 4.21Å; Y761-L765 HydrophobicContact CE1-CG 3.91Å; Y761-L765 PolarHBondContact O-N 2.65Å; D762-L765 PolarHBondContact O-N 2.59Å; L765-R767 VanDerWaalsContact C-N 3.29Å; L765-R767 PolarHBondContact O-N 2.85Å; L765-K768 PolarHBondContact O-N 3.11Å; L765-E769 WeakPolarHBondContact O-CB 3.47Å; L765-E769 PolarHBondContact O-N 3.08Å
766R57.6Low59.6Low166 Ų166110.9 Ų110.963%0.62654%0.54SS*.Hα-helixtrans-58.4-37.7175-69.2-176.5-167.1-120.40.7112.6D762 A770D762-R766 WeakPolarHBondContact O-CB 3.28Å; D762-R766 WeakPolarHBondContact O-CG 3.29Å; D762-R766 PolarHBondContact O-N 3.08Å; D762-R766 IonicContact OD1-NE 3.63Å; D762-R766 IonicContact OD2-CZ 3.29Å; D762-R766 VanDerWaalsContact OD2-CZ 3.29Å; D762-R766 IonicContact OD2-NE 2.71Å; D762-R766 PolarHBondContact OD2-NE 3.18Å; D762-R766 IonicContact OD2-NH2 2.97Å; D762-R766 PolarHBondContact OD2-NH2 3.33Å; R766-A770 WeakPolarHBondContact O-CB 3.34Å; R766-A770 PolarHBondContact O-N 3.4Å
767R65.8Low61Low177 Ų177109.3 Ų109.367%0.66853%0.532SS*.Hα-helixtrans-70.5-40.5176.7-165.1176.9-162.3123.2-1.2112.2G763 L764 L765 N771G763-R767 WeakPolarHBondContact O-CB 3.47Å; G763-R767 PolarHBondContact O-N 3.21Å; L764-R767 PolarHBondContact O-N 3.13Å; L765-R767 VanDerWaalsContact C-N 3.29Å; L765-R767 PolarHBondContact O-N 2.85Å; R767-N771 VanDerWaalsContact O-CB 3.29Å; R767-N771 WeakPolarHBondContact O-CB 3.33Å; R767-N771 PolarHBondContact O-N 3.29Å; R767-N771 PolarHBondContact O-ND2 3.03Å
768K65.1Low62.7Low156 Ų156107.6 Ų107.668%0.67854%0.536SS*.Hα-helixtrans-65.9-42.7175-173.6178.8-179.5-176.20110.8L764 L765 N771 L772L764-K768 WeakPolarHBondContact O-CB 3.3Å; L764-K768 PolarHBondContact O-N 2.99Å; L765-K768 PolarHBondContact O-N 3.11Å; K768-N771 PolarHBondContact O-N 2.92Å; K768-L772 WeakPolarHBondContact O-CB 3.44Å; K768-L772 PolarHBondContact O-N 3.18Å
769E68.7Low64.5Low93 Ų93110 Ų11044%0.43554%0.538SS..Hα-helixtrans-69.6-43.8176.9-155.2-155.4157.500111.9L765 N771 L772 R773L765-E769 WeakPolarHBondContact O-CB 3.47Å; L765-E769 PolarHBondContact O-N 3.08Å; E769-N771 VanDerWaalsContact C-N 3.3Å; E769-N771 PolarHBondContact O-N 3.36Å; E769-L772 CarbonylContact O-C 3.58Å; E769-L772 PolarHBondContact O-N 3.28Å; E769-L772 VanDerWaalsContact O-N 3.1Å; E769-R773 WeakPolarHBondContact O-CB 3.3Å; E769-R773 WeakPolarHBondContact O-CG 3.48Å; E769-R773 PolarHBondContact O-N 2.95Å; E769-R773 IonicContact OE1-CZ 3.13Å; E769-R773 IonicContact OE1-NE 2.76Å; E769-R773 PolarHBondContact OE1-NE 2.83Å; E769-R773 IonicContact OE1-NH2 2.67Å; E769-R773 PolarHBondContact OE1-NH2 3.29Å; E769-R773 IonicContact OE2-NH2 3.82Å
770A60.3Low66.4Low39 Ų39108.6 Ų108.632%0.32252%0.522SS..Hα-helixtrans-60.4-39.5173.900000111.7R766 R774R766-A770 WeakPolarHBondContact O-CB 3.34Å; R766-A770 PolarHBondContact O-N 3.4Å; A770-R774 VanDerWaalsContact O-CB 3.29Å; A770-R774 WeakPolarHBondContact O-CB 3.5Å; A770-R774 WeakPolarHBondContact O-CG 3.34Å; A770-R774 PolarHBondContact O-N 3.3Å
771N66.5Low68.5Low86 Ų86110.9 Ų110.946%0.4653%0.529SS..Hα-helixtrans-66-38.8172.9-74.9-16.1000112.2R767 K768 E769 R774 L775R767-N771 VanDerWaalsContact O-CB 3.29Å; R767-N771 WeakPolarHBondContact O-CB 3.33Å; R767-N771 PolarHBondContact O-N 3.29Å; R767-N771 PolarHBondContact O-ND2 3.03Å; K768-N771 PolarHBondContact O-N 2.92Å; E769-N771 VanDerWaalsContact C-N 3.3Å; E769-N771 PolarHBondContact O-N 3.36Å; N771-R774 PolarHBondContact O-N 2.98Å; N771-L775 WeakPolarHBondContact O-CB 3.38Å; N771-L775 PolarHBondContact O-N 3.15Å
772L68.8Low70.4Confident89 Ų89106.5 Ų106.547%0.46652%0.522SS..Hα-helixtrans-70.1-39.3177.2-168152.4000111.9K768 E769 L775 K776K768-L772 WeakPolarHBondContact O-CB 3.44Å; K768-L772 PolarHBondContact O-N 3.18Å; E769-L772 CarbonylContact O-C 3.58Å; E769-L772 PolarHBondContact O-N 3.28Å; E769-L772 VanDerWaalsContact O-N 3.1Å; L772-L775 PolarHBondContact O-N 3Å; L772-K776 HydrophobicContact CD2-CD 3.88Å; L772-K776 HydrophobicContact CD2-CG 4.37Å; L772-K776 WeakPolarHBondContact O-CG 3.45Å; L772-K776 PolarHBondContact O-N 3.48Å
773R65.9Low72.2Confident151 Ų151108.4 Ų108.457%0.5753%0.532SS*.Hα-helixtrans-61.7-47.5169.9-70.6178.4-177.5-143.78.8110.6E769 L775 K776 I777E769-R773 WeakPolarHBondContact O-CB 3.3Å; E769-R773 WeakPolarHBondContact O-CG 3.48Å; E769-R773 PolarHBondContact O-N 2.95Å; E769-R773 IonicContact OE1-CZ 3.13Å; E769-R773 IonicContact OE1-NE 2.76Å; E769-R773 PolarHBondContact OE1-NE 2.83Å; E769-R773 IonicContact OE1-NH2 2.67Å; E769-R773 PolarHBondContact OE1-NH2 3.29Å; E769-R773 IonicContact OE2-NH2 3.82Å; R773-L775 VanDerWaalsContact C-N 3.35Å; R773-L775 PolarHBondContact O-N 2.93Å; R773-K776 PolarHBondContact O-N 2.99Å; R773-I777 WeakPolarHBondContact O-CD1 3.49Å; R773-I777 VanDerWaalsContact O-CG1 3.27Å; R773-I777 WeakPolarHBondContact O-CG1 3.39Å; R773-I777 PolarHBondContact O-N 3.4Å
774R71.8Confident73.8Confident176 Ų176110.5 Ų110.566%0.66453%0.532SS*.Hα-helixtrans-60.7-38.7174.4-75.9170.2178.5-172.1-2.2112.7A770 N771 I777 C778A770-R774 VanDerWaalsContact O-CB 3.29Å; A770-R774 WeakPolarHBondContact O-CB 3.5Å; A770-R774 WeakPolarHBondContact O-CG 3.34Å; A770-R774 PolarHBondContact O-N 3.3Å; N771-R774 PolarHBondContact O-N 2.98Å; R774-I777 PolarHBondContact O-N 2.93Å; R774-C778 VanDerWaalsContact O-CB 3.22Å; R774-C778 WeakPolarHBondContact O-CB 3.33Å; R774-C778 PolarHBondContact O-N 2.81Å
775L74.1Confident75.6Confident99 Ų99108 Ų10852%0.51853%0.527SS..Hα-helixtrans-70.6-37.6177-174.461.8000112.1N771 L772 R773 C778 K779N771-L775 WeakPolarHBondContact O-CB 3.38Å; N771-L775 PolarHBondContact O-N 3.15Å; L772-L775 PolarHBondContact O-N 3Å; R773-L775 VanDerWaalsContact C-N 3.35Å; R773-L775 PolarHBondContact O-N 2.93Å; L775-C778 PolarHBondContact O-N 3.26Å; L775-K779 WeakPolarHBondContact O-CB 3.44Å; L775-K779 WeakPolarHBondContact O-CG 3.5Å; L775-K779 PolarHBondContact O-N 3.34Å
776K75.4Confident77.3Confident144 Ų144108.2 Ų108.263%0.62653%0.532SS*.Hα-helixtrans-62.2-46170.4-77.4177.9174.1175.80111.5L772 R773 K779 L780L772-K776 HydrophobicContact CD2-CD 3.88Å; L772-K776 HydrophobicContact CD2-CG 4.37Å; L772-K776 WeakPolarHBondContact O-CG 3.45Å; L772-K776 PolarHBondContact O-N 3.48Å; R773-K776 PolarHBondContact O-N 2.99Å; K776-K779 PolarHBondContact O-N 3.28Å; K776-L780 WeakPolarHBondContact O-CB 3.37Å; K776-L780 PolarHBondContact O-N 2.95Å
777I79.9Confident79.1Confident102 Ų102104.3 Ų104.352%0.52352%0.523SS..Hα-helixtrans-63.5-43176.1-66.7161.9000110.9R773 R774 L780 V781R773-I777 WeakPolarHBondContact O-CD1 3.49Å; R773-I777 VanDerWaalsContact O-CG1 3.27Å; R773-I777 WeakPolarHBondContact O-CG1 3.39Å; R773-I777 PolarHBondContact O-N 3.4Å; R774-I777 PolarHBondContact O-N 2.93Å; I777-L780 WeakPolarHBondContact O-CB 3.17Å; I777-L780 PolarHBondContact O-N 3.41Å; I777-V781 HydrophobicContact CG2-CG2 4.35Å; I777-V781 WeakPolarHBondContact O-CG2 3.31Å; I777-V781 PolarHBondContact O-N 2.88Å
778C77.6Confident80.4Confident80 Ų8099.3 Ų99.354%0.54151%0.512SS..Hα-helixtrans-63-42.7177-172.40000111.8R774 L775 L780 V781 A782R774-C778 VanDerWaalsContact O-CB 3.22Å; R774-C778 WeakPolarHBondContact O-CB 3.33Å; R774-C778 PolarHBondContact O-N 2.81Å; L775-C778 PolarHBondContact O-N 3.26Å; C778-L780 PolarHBondContact O-N 3.05Å; C778-V781 PolarHBondContact O-N 2.74Å; C778-A782 WeakPolarHBondContact O-CB 3.41Å; C778-A782 PolarHBondContact O-N 3.29Å
779K84.6Confident81.7Confident148 Ų14894.3 Ų94.364%0.64350%0.499SS*.Hα-helixtrans-64.1-37.5173-75.5-173.9174.4-169.60112.6L775 K776 L783L775-K779 WeakPolarHBondContact O-CB 3.44Å; L775-K779 WeakPolarHBondContact O-CG 3.5Å; L775-K779 PolarHBondContact O-N 3.34Å; K776-K779 PolarHBondContact O-N 3.28Å; K779-L783 VanDerWaalsContact O-CB 3.32Å; K779-L783 WeakPolarHBondContact O-CB 3.45Å; K779-L783 PolarHBondContact O-N 3.01Å
780L90.9Very high82.9Confident106 Ų10694.6 Ų94.656%0.55550%0.503SS*.Hα-helixtrans-63.6-48.4173.5-169.684.9000111.3K776 I777 C778 A782 L783 I784K776-L780 WeakPolarHBondContact O-CB 3.37Å; K776-L780 PolarHBondContact O-N 2.95Å; I777-L780 WeakPolarHBondContact O-CB 3.17Å; I777-L780 PolarHBondContact O-N 3.41Å; C778-L780 PolarHBondContact O-N 3.05Å; L780-A782 PolarHBondContact O-N 2.96Å; L780-L783 PolarHBondContact O-N 3.44Å; L780-I784 HydrophobicContact CD2-CD1 4.22Å; L780-I784 HydrophobicContact CG-CD1 3.99Å; L780-I784 VanDerWaalsContact O-CG1 3.3Å; L780-I784 WeakPolarHBondContact O-CG1 3.36Å; L780-I784 PolarHBondContact O-N 3.14Å
781V91.5Very high84.5Confident85 Ų8597.1 Ų97.152%0.51551%0.51SS..Hα-helixtrans-63.9-40.1178.8170.40000111.4I777 C778 I784 A785I777-V781 HydrophobicContact CG2-CG2 4.35Å; I777-V781 WeakPolarHBondContact O-CG2 3.31Å; I777-V781 PolarHBondContact O-N 2.88Å; C778-V781 PolarHBondContact O-N 2.74Å; V781-I784 PolarHBondContact O-N 3.44Å; V781-A785 WeakPolarHBondContact O-CB 3.32Å; V781-A785 PolarHBondContact O-N 3.11Å
782A89.7Confident85.7Confident52 Ų5297.8 Ų97.843%0.4351%0.513SS..Hα-helixtrans-62.7-42.4173.900000112.1C778 L780 A785 T786C778-A782 WeakPolarHBondContact O-CB 3.41Å; C778-A782 PolarHBondContact O-N 3.29Å; L780-A782 PolarHBondContact O-N 2.96Å; A782-A785 PolarHBondContact O-N 3.39Å; A782-T786 PolarHBondContact O-N 3Å; A782-T786 PolarHBondContact O-OG1 3.43Å
783L92.1Very high86.7Confident98 Ų9898.1 Ų98.151%0.51352%0.518SS..Hα-helixtrans-67.2-36.7176.3180146.9000112.4K779 L780 T786 I787K779-L783 VanDerWaalsContact O-CB 3.32Å; K779-L783 WeakPolarHBondContact O-CB 3.45Å; K779-L783 PolarHBondContact O-N 3.01Å; L780-L783 PolarHBondContact O-N 3.44Å; L783-T786 PolarHBondContact O-OG1 3.38Å; L783-T786 VanDerWaalsContact O-OG1 3.07Å; L783-I787 HydrophobicContact CD2-CD1 3.63Å; L783-I787 HydrophobicContact CG-CD1 4.29Å; L783-I787 WeakPolarHBondContact O-CB 3.37Å; L783-I787 VanDerWaalsContact O-CG1 3.26Å; L783-I787 WeakPolarHBondContact O-CG1 3.42Å; L783-I787 PolarHBondContact O-N 3.41Å; L783-I787 VanDerWaalsContact O-N 3.11Å
784I92.6Very high87.9Confident87 Ų8794.9 Ų94.945%0.44651%0.512SS..Hα-helixtrans-65.9-43.4172.1-68.4163.1000110.1L780 V781 I787 V788L780-I784 HydrophobicContact CD2-CD1 4.22Å; L780-I784 HydrophobicContact CG-CD1 3.99Å; L780-I784 VanDerWaalsContact O-CG1 3.3Å; L780-I784 WeakPolarHBondContact O-CG1 3.36Å; L780-I784 PolarHBondContact O-N 3.14Å; V781-I784 PolarHBondContact O-N 3.44Å; I784-I787 PolarHBondContact O-N 3.28Å; I784-V788 HydrophobicContact CG2-CG2 4.42Å; I784-V788 WeakPolarHBondContact O-CG2 3.49Å; I784-V788 PolarHBondContact O-N 2.87Å
785A92.8Very high88.8Confident58 Ų5890 Ų9048%0.47950%0.501SS..Hα-helixtrans-64.4-39.7179.200000112.8V781 A782 V788 A789V781-A785 WeakPolarHBondContact O-CB 3.32Å; V781-A785 PolarHBondContact O-N 3.11Å; A782-A785 PolarHBondContact O-N 3.39Å; A785-V788 PolarHBondContact O-N 3.32Å; A785-A789 WeakPolarHBondContact O-CB 3.47Å; A785-A789 PolarHBondContact O-N 3.45Å
786T92Very high89.4Confident81 Ų8190.3 Ų90.350%0.49750%0.502SS..Hα-helixtrans-68.6-39.4174.753.90000112.1A782 L783 A789 I790A782-T786 PolarHBondContact O-N 3Å; A782-T786 PolarHBondContact O-OG1 3.43Å; L783-T786 PolarHBondContact O-OG1 3.38Å; L783-T786 VanDerWaalsContact O-OG1 3.07Å; T786-A789 PolarHBondContact O-N 2.89Å; T786-I790 WeakPolarHBondContact O-CD1 3.4Å; T786-I790 VanDerWaalsContact O-CG1 3.26Å; T786-I790 WeakPolarHBondContact O-CG1 3.48Å; T786-I790 PolarHBondContact O-N 3.23Å
787I94.2Very high89.9Confident83 Ų8388.3 Ų88.343%0.42650%0.498SS..Hα-helixtrans-61.5-45.4173.6-71.3169.7000111L783 I784 A789 I790 I791L783-I787 HydrophobicContact CD2-CD1 3.63Å; L783-I787 HydrophobicContact CG-CD1 4.29Å; L783-I787 WeakPolarHBondContact O-CB 3.37Å; L783-I787 VanDerWaalsContact O-CG1 3.26Å; L783-I787 WeakPolarHBondContact O-CG1 3.42Å; L783-I787 PolarHBondContact O-N 3.41Å; L783-I787 VanDerWaalsContact O-N 3.11Å; I784-I787 PolarHBondContact O-N 3.28Å; I787-A789 VanDerWaalsContact C-N 3.35Å; I787-A789 PolarHBondContact O-N 2.87Å; I787-I790 PolarHBondContact O-N 3.44Å; I787-I791 HydrophobicContact CG2-CD1 3.78Å; I787-I791 HydrophobicContact CG2-CG1 4.49Å; I787-I791 VanDerWaalsContact O-CG1 3.31Å; I787-I791 WeakPolarHBondContact O-CG1 3.4Å; I787-I791 PolarHBondContact O-N 2.87Å
788V94.6Very high90.2Very high73 Ų7388.8 Ų88.844%0.44250%0.501SS..Hα-helixtrans-62.5-41176.4170.40000111.4I784 A785 I791 L792I784-V788 HydrophobicContact CG2-CG2 4.42Å; I784-V788 WeakPolarHBondContact O-CG2 3.49Å; I784-V788 PolarHBondContact O-N 2.87Å; A785-V788 PolarHBondContact O-N 3.32Å; V788-I791 PolarHBondContact O-N 3.36Å; V788-L792 HydrophobicContact CG1-CD1 4.05Å; V788-L792 HydrophobicContact CG1-CG 4.47Å; V788-L792 WeakPolarHBondContact O-CB 3.35Å; V788-L792 WeakPolarHBondContact O-CG 3.37Å; V788-L792 PolarHBondContact O-N 3.48Å
789A91.8Very high90.3Very high50 Ų5088.8 Ų88.841%0.41350%0.501SS..Hα-helixtrans-62.8-42.2175.200000112.4A785 T786 I787 L792 V793A785-A789 WeakPolarHBondContact O-CB 3.47Å; A785-A789 PolarHBondContact O-N 3.45Å; T786-A789 PolarHBondContact O-N 2.89Å; I787-A789 VanDerWaalsContact C-N 3.35Å; I787-A789 PolarHBondContact O-N 2.87Å; A789-L792 PolarHBondContact O-N 3.17Å; A789-V793 WeakPolarHBondContact O-CG2 3.29Å; A789-V793 PolarHBondContact O-N 3.22Å
790I93.6Very high90.1Very high100 Ų10085.2 Ų85.251%0.51349%0.491SS..Hα-helixtrans-63.1-44.5175.6-69.3162.1000110.7T786 I787 L792 V793 I794T786-I790 WeakPolarHBondContact O-CD1 3.4Å; T786-I790 VanDerWaalsContact O-CG1 3.26Å; T786-I790 WeakPolarHBondContact O-CG1 3.48Å; T786-I790 PolarHBondContact O-N 3.23Å; I787-I790 PolarHBondContact O-N 3.44Å; I790-L792 PolarHBondContact O-N 3.19Å; I790-V793 PolarHBondContact O-N 3.16Å; I790-I794 HydrophobicContact CG2-CD1 3.79Å; I790-I794 VanDerWaalsContact O-CG1 3.31Å; I790-I794 WeakPolarHBondContact O-CG1 3.38Å; I790-I794 PolarHBondContact O-N 3.09Å
791I93.1Very high89.3Confident92 Ų9287.1 Ų87.147%0.47250%0.499SS..Hα-helixtrans-61.2-43.6176.1-68.5166000110.8I787 V788 I794 V795I787-I791 HydrophobicContact CG2-CD1 3.78Å; I787-I791 HydrophobicContact CG2-CG1 4.49Å; I787-I791 VanDerWaalsContact O-CG1 3.31Å; I787-I791 WeakPolarHBondContact O-CG1 3.4Å; I787-I791 PolarHBondContact O-N 2.87Å; V788-I791 PolarHBondContact O-N 3.36Å; I791-I794 PolarHBondContact O-N 3.24Å; I791-V795 HydrophobicContact CG2-CG2 4.32Å; I791-V795 WeakPolarHBondContact O-CB 3.36Å; I791-V795 WeakPolarHBondContact O-CG2 3.16Å; I791-V795 PolarHBondContact O-N 3.29Å
792L92.3Very high87.9Confident99 Ų9986.3 Ų86.352%0.51851%0.508SS..Hα-helixtrans-62.7-41.7176.4-73.7170.3000112.1V788 A789 I790 V795 I796V788-L792 HydrophobicContact CG1-CD1 4.05Å; V788-L792 HydrophobicContact CG1-CG 4.47Å; V788-L792 WeakPolarHBondContact O-CB 3.35Å; V788-L792 WeakPolarHBondContact O-CG 3.37Å; V788-L792 PolarHBondContact O-N 3.48Å; A789-L792 PolarHBondContact O-N 3.17Å; I790-L792 PolarHBondContact O-N 3.19Å; L792-V795 PolarHBondContact O-N 3.32Å; L792-I796 WeakPolarHBondContact O-CB 3.46Å; L792-I796 WeakPolarHBondContact O-CD1 3.43Å; L792-I796 WeakPolarHBondContact O-CG1 3.32Å; L792-I796 PolarHBondContact O-N 3.48Å
793V91.1Very high86.1Confident96 Ų9692.1 Ų92.158%0.58254%0.538SS*.Hα-helixtrans-62.8-41.5174.7169.80000111.4A789 I790 L797A789-V793 WeakPolarHBondContact O-CG2 3.29Å; A789-V793 PolarHBondContact O-N 3.22Å; I790-V793 PolarHBondContact O-N 3.16Å; V793-L797 VanDerWaalsContact O-CB 3.27Å; V793-L797 WeakPolarHBondContact O-CB 3.21Å; V793-L797 PolarHBondContact O-N 3.19Å
794I89.4Confident85.8Confident84 Ų8491.8 Ų91.843%0.43154%0.539SS..Hα-helixtrans-65.5-44.6176.5-68.9165.6000111.1I790 I791 L797 I798I790-I794 HydrophobicContact CG2-CD1 3.79Å; I790-I794 VanDerWaalsContact O-CG1 3.31Å; I790-I794 WeakPolarHBondContact O-CG1 3.38Å; I790-I794 PolarHBondContact O-N 3.09Å; I791-I794 PolarHBondContact O-N 3.24Å; I794-L797 PolarHBondContact O-N 3.09Å; I794-I798 HydrophobicContact CG2-CD1 3.74Å; I794-I798 HydrophobicContact CG2-CG1 4.48Å; I794-I798 WeakPolarHBondContact O-CB 3.34Å; I794-I798 VanDerWaalsContact O-CG1 3.28Å; I794-I798 WeakPolarHBondContact O-CG1 3.23Å; I794-I798 PolarHBondContact O-N 3.36Å
795V91.6Very high85.4Confident73 Ų7392.1 Ų92.144%0.44254%0.544SS..Hα-helixtrans-63.4-45.4177.1169.20000110.9I791 L792 L797 I798 C799I791-V795 HydrophobicContact CG2-CG2 4.32Å; I791-V795 WeakPolarHBondContact O-CB 3.36Å; I791-V795 WeakPolarHBondContact O-CG2 3.16Å; I791-V795 PolarHBondContact O-N 3.29Å; L792-V795 PolarHBondContact O-N 3.32Å; V795-L797 PolarHBondContact O-N 3.29Å; V795-I798 PolarHBondContact O-N 3.34Å; V795-C799 WeakPolarHBondContact O-CB 3.2Å; V795-C799 PolarHBondContact O-N 2.85Å; V795-C799 PolarHBondContact O-SG 2.93Å
796I86.9Confident85Confident105 Ų10593.9 Ų93.954%0.53855%0.548SS..Hα-helixtrans-59.6-47.6175.2-70.4163.9000110.1L792 I798 C799 T800L792-I796 WeakPolarHBondContact O-CB 3.46Å; L792-I796 WeakPolarHBondContact O-CD1 3.43Å; L792-I796 WeakPolarHBondContact O-CG1 3.32Å; L792-I796 PolarHBondContact O-N 3.48Å; I796-I798 PolarHBondContact O-N 3.11Å; I796-C799 PolarHBondContact O-N 2.7Å; I796-T800 HydrophobicContact CG2-CG2 4.31Å; I796-T800 WeakPolarHBondContact O-CG2 3.14Å; I796-T800 PolarHBondContact O-N 3.08Å; I796-T800 PolarHBondContact O-OG1 3.08Å; I796-T800 VanDerWaalsContact O-OG1 3.09Å
797L84.9Confident84.6Confident102 Ų10294.7 Ų94.753%0.53455%0.551SS.*Hα-helixtrans-58.2-48178.9-177.462.2000111.6V793 I794 V795 C799 T800 M801V793-L797 VanDerWaalsContact O-CB 3.27Å; V793-L797 WeakPolarHBondContact O-CB 3.21Å; V793-L797 PolarHBondContact O-N 3.19Å; I794-L797 PolarHBondContact O-N 3.09Å; V795-L797 PolarHBondContact O-N 3.29Å; L797-C799 PolarHBondContact O-N 3.14Å; L797-T800 WeakPolarHBondContact CA-OG1 3.34Å; L797-T800 PolarHBondContact O-N 3.26Å; L797-T800 PolarHBondContact O-OG1 3.42Å; L797-M801 HydrophobicContact CD1-CG 4.19Å; L797-M801 WeakPolarHBondContact O-CB 3.48Å; L797-M801 VanDerWaalsContact O-CG 3.23Å; L797-M801 WeakPolarHBondContact O-CG 2.93Å; L797-M801 PolarHBondContact O-N 3.42Å
798I86.1Confident84Confident113 Ų11395.4 Ų95.458%0.57956%0.558SS**Hα-helixtrans-61.1-44.9176.4-68.5166.6000110.9I794 V795 I796 T800 M801 G802I794-I798 HydrophobicContact CG2-CD1 3.74Å; I794-I798 HydrophobicContact CG2-CG1 4.48Å; I794-I798 WeakPolarHBondContact O-CB 3.34Å; I794-I798 VanDerWaalsContact O-CG1 3.28Å; I794-I798 WeakPolarHBondContact O-CG1 3.23Å; I794-I798 PolarHBondContact O-N 3.36Å; V795-I798 PolarHBondContact O-N 3.34Å; I796-I798 PolarHBondContact O-N 3.11Å; I798-T800 VanDerWaalsContact C-N 3.32Å; I798-T800 PolarHBondContact O-N 3.17Å; I798-M801 PolarHBondContact O-N 2.66Å; I798-G802 PolarHBondContact O-N 3.42Å
799C80.3Confident83.3Confident80 Ų8096.9 Ų96.954%0.54157%0.566SS.*Hα-helixtrans-63.3-34.4176.3-72.10000112.9V795 I796 L797V795-C799 WeakPolarHBondContact O-CB 3.2Å; V795-C799 PolarHBondContact O-N 2.85Å; V795-C799 PolarHBondContact O-SG 2.93Å; I796-C799 PolarHBondContact O-N 2.7Å; L797-C799 PolarHBondContact O-N 3.14Å
800T79.8Confident82.6Confident72 Ų72100.3 Ų100.344%0.44258%0.577SS.*Hα-helixtrans-81-15.3176.655.70000114.6I796 L797 I798I796-T800 HydrophobicContact CG2-CG2 4.31Å; I796-T800 WeakPolarHBondContact O-CG2 3.14Å; I796-T800 PolarHBondContact O-N 3.08Å; I796-T800 PolarHBondContact O-OG1 3.08Å; I796-T800 VanDerWaalsContact O-OG1 3.09Å; L797-T800 WeakPolarHBondContact CA-OG1 3.34Å; L797-T800 PolarHBondContact O-N 3.26Å; L797-T800 PolarHBondContact O-OG1 3.42Å; I798-T800 VanDerWaalsContact C-N 3.32Å; I798-T800 PolarHBondContact O-N 3.17Å
801M75.7Confident81.8Confident146 Ų146100.3 Ų100.372%0.71958%0.582SS**Hα-helixtrans-99.2-4.8174.4-62.3-73.692.600112.4L797 I798L797-M801 HydrophobicContact CD1-CG 4.19Å; L797-M801 WeakPolarHBondContact O-CB 3.48Å; L797-M801 VanDerWaalsContact O-CG 3.23Å; L797-M801 WeakPolarHBondContact O-CG 2.93Å; L797-M801 PolarHBondContact O-N 3.42Å; I798-M801 PolarHBondContact O-N 2.66Å
802G61Low80.9Confident68 Ų68101 Ų10170%0.70159%0.591SS**  trans-103.212176.500000114.5I798I798-G802 PolarHBondContact O-N 3.42Å
803T51.2Low79.8Confident174 Ų174101.2 Ų101.2100%1.06760%0.598SS**  trans-128.10179.655.90000110.8

Retrieved 803 of 803 residues in 550 ms (Link to these results)