A0A096NTI6_PAPAN Loading...

Protein phosphatase 1 regulatory subunit 27

Inhibits phosphatase activity of protein phosphatase 1 (PP1) complexes.

AlphaFold DB (G7NHA4), UniProt , Accession A0A096NTI6, Species PAPAN (Papio anubis, Olive baboon), Gene PPP1R27, Length 154 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
1M34.6Very low63.1Low231 Ų231109.5 Ų109.5100%1.13853%0.53SS*.  0126.70-68.8-66.1177.300106.9S3M1-S3 PolarHBondContact O-N 2.8Å
2P46.7Very low65.1Low114 Ų114102.9 Ų102.974%0.7450%0.503SS*.  trans-56.8141.4169.224.8-30.9000108.3A6P2-A6 HydrophobicContact CB-CB 4.4Å
3S56.1Low66.8Low65 Ų6595.2 Ų95.246%0.45547%0.466SS..  trans-54.2146.917766.80000109.1M1 T5 A6M1-S3 PolarHBondContact O-N 2.8Å; S3-T5 WeakPolarHBondContact CB-OG1 3.35Å; S3-T5 PolarHBondContact O-N 3.25Å; S3-T5 PolarHBondContact OG-OG1 3.18Å; S3-A6 PolarHBondContact O-N 3.22Å; S3-A6 VanDerWaalsContact O-N 3.13Å; S3-A6 PolarHBondContact OG-N 3.38Å; S3-A6 VanDerWaalsContact OG-N 3.09Å
4R60Low68.3Low150 Ų15094.1 Ų94.157%0.56645%0.454SS*.THydrogen-bonded Turntrans-51.1-25.8173.2-86.2175.6142.2148.1-2.6111.5Y8 D23R4-Y8 VanDerWaalsContact O-CD2 3.28Å; R4-Y8 WeakPolarHBondContact O-CD2 3.37Å; R4-Y8 WeakPolarHBondContact O-CE2 3.38Å; R4-D23 IonicContact CZ-OD1 2.87Å; R4-D23 IonicContact CZ-OD2 3.44Å; R4-D23 IonicContact NE-OD1 2.82Å; R4-D23 IonicContact NE-OD2 3.68Å; R4-D23 PolarHBondContact NE-OD2 2.9Å; R4-D23 IonicContact NH2-OD1 3.1Å; R4-D23 PolarHBondContact NH2-OD1 3.27Å; R4-D23 IonicContact NH2-OD2 3.44Å; R4-D23 PolarHBondContact NH2-OD2 3.32Å
5T56.8Low69.7Low24 Ų2494.3 Ų94.315%0.14745%0.454CS..THydrogen-bonded Turntrans-83.7-30.2-173.650.50000113.7S3 R7 Y8 M20 E95S3-T5 WeakPolarHBondContact CB-OG1 3.35Å; S3-T5 PolarHBondContact O-N 3.25Å; S3-T5 PolarHBondContact OG-OG1 3.18Å; T5-R7 PolarHBondContact O-N 3.02Å; T5-R7 VanDerWaalsContact O-N 3.11Å; T5-Y8 PolarHBondContact O-N 3Å; T5-M20 HydrophobicContact CG2-CE 3.34Å; T5-M20 HydrophobicContact CG2-SD 4.19Å; T5-E95 VanDerWaalsContact CB-OE1 3.31Å; T5-E95 WeakPolarHBondContact CB-OE1 3.41Å; T5-E95 WeakPolarHBondContact CB-OE2 3.47Å; T5-E95 VanDerWaalsContact CG2-CD 3.43Å; T5-E95 VanDerWaalsContact CG2-OE1 3.26Å; T5-E95 WeakPolarHBondContact CG2-OE1 3.42Å; T5-E95 WeakPolarHBondContact CG2-OE2 3.29Å; T5-E95 PolarHBondContact OG1-OE1 2.94Å; T5-E95 PolarHBondContact OG1-OE2 3.29Å
6A62.8Low70.7Confident60 Ų6088.5 Ų88.550%0.49643%0.426SS..G310 helixtrans-57.9-27.2171.600000113.2P2 S3 Y8P2-A6 HydrophobicContact CB-CB 4.4Å; S3-A6 PolarHBondContact O-N 3.22Å; S3-A6 VanDerWaalsContact O-N 3.13Å; S3-A6 PolarHBondContact OG-N 3.38Å; S3-A6 VanDerWaalsContact OG-N 3.09Å; A6-Y8 PolarHBondContact O-N 3.49Å
7R70.6Confident71.5Confident187 Ų18786.1 Ų86.171%0.70641%0.411SS*.G310 helixtrans-65-23.4175.4-172-179.2-68.4170.5-2.5112.9T5T5-R7 PolarHBondContact O-N 3.02Å; T5-R7 VanDerWaalsContact O-N 3.11Å
8Y73.8Confident72.3Confident34 Ų3492.8 Ų92.813%0.13343%0.432CS..G310 helixtrans-116.711-170.1-55.1-68.1000114.2R4 T5 A6 R10 Y11 R19 M20R4-Y8 VanDerWaalsContact O-CD2 3.28Å; R4-Y8 WeakPolarHBondContact O-CD2 3.37Å; R4-Y8 WeakPolarHBondContact O-CE2 3.38Å; T5-Y8 PolarHBondContact O-N 3Å; A6-Y8 PolarHBondContact O-N 3.49Å; Y8-R10 PolarHBondContact O-N 2.99Å; Y8-Y11 AromaticContact CD1-CD2 3.77Å; Y8-Y11 HydrophobicContact CD1-CD2 3.77Å; Y8-Y11 AromaticContact CD1-CE2 3.77Å; Y8-Y11 HydrophobicContact CD1-CE2 3.77Å; Y8-Y11 HydrophobicContact CG-CD2 4.36Å; Y8-Y11 PolarHBondContact O-N 2.99Å; Y8-Y11 VanDerWaalsContact O-N 3.15Å; Y8-R19 HydrophobicContact CD1-CB 4.35Å; Y8-R19 HydrophobicContact CE1-CB 3.99Å; Y8-M20 HydrophobicContact CD2-CE 3.65Å; Y8-M20 HydrophobicContact CD2-CG 4.03Å; Y8-M20 HydrophobicContact CE2-CG 4.28Å; Y8-M20 HydrophobicContact CG-CE 4.23Å
9A69.6Low72.9Confident34 Ų3493.2 Ų93.228%0.28143%0.429SS..THydrogen-bonded Turntrans-53.1-40.7179.600000112.3Y11A9-Y11 PolarHBondContact O-N 3.27Å; A9-Y11 VanDerWaalsContact O-N 3.12Å
10R79.2Confident73Confident222 Ų22289.3 Ų89.384%0.83841%0.411SS*.THydrogen-bonded Turntrans-73.93.6-178.1-58-175.8-179.1-142.4-2.3116.1Y8Y8-R10 PolarHBondContact O-N 2.99Å
11Y83.7Confident73.1Confident84 Ų8489.2 Ų89.233%0.32941%0.414SS..SBendtrans-108.5146.3-177.5-64.9-61.1000110.8Y8 A9 R16Y8-Y11 AromaticContact CD1-CD2 3.77Å; Y8-Y11 HydrophobicContact CD1-CD2 3.77Å; Y8-Y11 AromaticContact CD1-CE2 3.77Å; Y8-Y11 HydrophobicContact CD1-CE2 3.77Å; Y8-Y11 HydrophobicContact CG-CD2 4.36Å; Y8-Y11 PolarHBondContact O-N 2.99Å; Y8-Y11 VanDerWaalsContact O-N 3.15Å; A9-Y11 PolarHBondContact O-N 3.27Å; A9-Y11 VanDerWaalsContact O-N 3.12Å; Y11-R16 PolarHBondContact O-NH1 2.91Å; Y11-R16 VanDerWaalsContact O-NH1 3.16Å
12S86.9Confident74.9Confident30 Ų3082.2 Ų82.221%0.2139%0.392CS..  trans-57.4152.2174.778.10000110.7R14 Q15 R16S12-R14 PolarHBondContact O-N 3.44Å; S12-Q15 PolarHBondContact O-N 3.14Å; S12-Q15 WeakPolarHBondContact OG-CG 3.41Å; S12-R16 WeakPolarHBondContact O-CB 3.37Å; S12-R16 PolarHBondContact O-N 3.12Å
13P87.7Confident75.7Confident2 Ų279.8 Ų79.81%0.01337%0.373CS..Hα-helixtrans-47.9-40.6179.9-32.436.7000113.7R17 L65 L73 W98 I103P13-R17 VanDerWaalsContact O-CB 3.26Å; P13-R17 WeakPolarHBondContact O-CB 3.31Å; P13-R17 PolarHBondContact O-N 3.37Å; P13-L65 HydrophobicContact CB-CD2 4.07Å; P13-L73 HydrophobicContact CB-CD1 4.03Å; P13-W98 VanDerWaalsContact CD-CZ3 3.46Å; P13-W98 HydrophobicContact CG-CD2 3.67Å; P13-W98 HydrophobicContact CG-CE3 3.33Å; P13-W98 HydrophobicContact CG-CG 4.23Å; P13-W98 HydrophobicContact CG-CH2 4.4Å; P13-W98 HydrophobicContact CG-CZ3 3.74Å; P13-I103 HydrophobicContact CB-CD1 3.83Å; P13-I103 HydrophobicContact CB-CG1 4.31Å; P13-I103 HydrophobicContact CG-CD1 3.94Å; P13-I103 HydrophobicContact CG-CG1 3.93Å
14R87.9Confident75.7Confident81 Ų8187.5 Ų87.531%0.30639%0.392SS..Hα-helixtrans-61.7-50.4175.1-74.1-167.7160.3139.40.7113.1S12 R18 L73 D107 Y109S12-R14 PolarHBondContact O-N 3.44Å; R14-R18 WeakPolarHBondContact O-CB 3.33Å; R14-R18 PolarHBondContact O-N 2.76Å; R14-R18 VanDerWaalsContact O-N 3.07Å; R14-L73 HydrophobicContact CB-CD1 4.3Å; R14-L73 HydrophobicContact CG-CD1 3.24Å; R14-L73 HydrophobicContact CG-CD2 4.34Å; R14-L73 HydrophobicContact CG-CG 3.87Å; R14-L73 PolarHBondContact NH2-O 3.12Å; R14-D107 WeakPolarHBondContact CD-OD1 3.49Å; R14-D107 WeakPolarHBondContact CD-OD2 3.3Å; R14-D107 IonicContact CZ-OD1 2.75Å; R14-D107 IonicContact CZ-OD2 3.18Å; R14-D107 IonicContact NE-OD1 2.61Å; R14-D107 IonicContact NE-OD2 3.86Å; R14-D107 PolarHBondContact NE-OD2 3.39Å; R14-D107 VanDerWaalsContact NH1-CB 3.34Å; R14-D107 IonicContact NH1-OD1 2.73Å; R14-D107 PolarHBondContact NH1-OD1 2.85Å; R14-D107 IonicContact NH1-OD2 2.92Å; R14-D107 PolarHBondContact NH1-OD2 3.1Å; R14-D107 VanDerWaalsContact NH1-OD2 3.1Å; R14-D107 IonicContact NH2-OD2 2.74Å; R14-D107 PolarHBondContact NH2-OD2 3.19Å; R14-Y109 PolarHBondContact NH2-OH 2.86Å
15Q88.6Confident75.4Confident96 Ų9683.4 Ų83.445%0.44939%0.387SS..Hα-helixtrans-65-42.6-177.9-69.8173.6-6.800111.1S12 R18 R19S12-Q15 PolarHBondContact O-N 3.14Å; S12-Q15 WeakPolarHBondContact OG-CG 3.41Å; Q15-R18 PolarHBondContact O-N 2.87Å; Q15-R19 PolarHBondContact O-N 3.02Å
16R85.6Confident75.4Confident2 Ų287.1 Ų87.11%0.00841%0.409CS..Hα-helixtrans-62.1-52.8176.9-178.7167.465.9-121.92.3111.4Y11 S12 R18 R19 M20 D94 A96Y11-R16 PolarHBondContact O-NH1 2.91Å; Y11-R16 VanDerWaalsContact O-NH1 3.16Å; S12-R16 WeakPolarHBondContact O-CB 3.37Å; S12-R16 PolarHBondContact O-N 3.12Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.2Å; R16-R19 PolarHBondContact O-N 2.96Å; R16-R19 VanDerWaalsContact O-N 3.09Å; R16-M20 HydrophobicContact CG-CE 3.34Å; R16-M20 HydrophobicContact CG-CG 4.34Å; R16-M20 HydrophobicContact CG-SD 3.54Å; R16-M20 VanDerWaalsContact CG-SD 3.54Å; R16-M20 WeakPolarHBondContact O-CG 3.41Å; R16-M20 PolarHBondContact O-N 2.91Å; R16-D94 IonicContact CZ-OD2 3.84Å; R16-D94 VanDerWaalsContact NH2-CG 3.29Å; R16-D94 IonicContact NH2-OD1 3.94Å; R16-D94 PolarHBondContact NH2-OD1 3.09Å; R16-D94 IonicContact NH2-OD2 3.68Å; R16-D94 PolarHBondContact NH2-OD2 3.11Å; R16-A96 VanDerWaalsContact NH1-CB 3.28Å
17R85.4Confident75.2Confident47 Ų4794.1 Ų94.118%0.17742%0.423CS..Hα-helixtrans-51.2-50.1175.5179.6179.672.3174.5-1.6111.3P13 R19 M20 L21 L65 E70 L73P13-R17 VanDerWaalsContact O-CB 3.26Å; P13-R17 WeakPolarHBondContact O-CB 3.31Å; P13-R17 PolarHBondContact O-N 3.37Å; R17-R19 VanDerWaalsContact C-N 3.29Å; R17-R19 PolarHBondContact O-N 3.38Å; R17-M20 PolarHBondContact O-N 3.01Å; R17-L21 HydrophobicContact CG-CD1 3.84Å; R17-L21 HydrophobicContact CG-CG 4.33Å; R17-L21 WeakPolarHBondContact O-CB 3.16Å; R17-L21 VanDerWaalsContact O-CG 3.28Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 3Å; R17-L65 HydrophobicContact CB-CD1 4.1Å; R17-L65 HydrophobicContact CG-CD1 4.4Å; R17-E70 WeakPolarHBondContact CD-OE1 3.4Å; R17-E70 WeakPolarHBondContact CD-OE2 3.44Å; R17-E70 IonicContact CZ-OE2 3.49Å; R17-E70 IonicContact NE-OE2 3.76Å; R17-E70 IonicContact NH1-OE2 3.53Å; R17-E70 PolarHBondContact NH1-OE2 3.17Å; R17-L73 HydrophobicContact CB-CD2 4.42Å
18R85.3Confident74.7Confident207 Ų20790.3 Ų90.378%0.78141%0.412SS*.Hα-helixtrans-57.7-40.1-179.2-176.7178.2174.9-178.8-0.1112.6R14 Q15 R16R14-R18 WeakPolarHBondContact O-CB 3.33Å; R14-R18 PolarHBondContact O-N 2.76Å; R14-R18 VanDerWaalsContact O-N 3.07Å; Q15-R18 PolarHBondContact O-N 2.87Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.2Å
19R83.6Confident74.6Confident101 Ų10193.1 Ų93.138%0.38143%0.434SS..Hα-helixtrans-77.4-38.6-178.7-72.9-178.3176.6133.8-4.4112.8Y8 Q15 R16 R17 A22Y8-R19 HydrophobicContact CD1-CB 4.35Å; Y8-R19 HydrophobicContact CE1-CB 3.99Å; Q15-R19 PolarHBondContact O-N 3.02Å; R16-R19 PolarHBondContact O-N 2.96Å; R16-R19 VanDerWaalsContact O-N 3.09Å; R17-R19 VanDerWaalsContact C-N 3.29Å; R17-R19 PolarHBondContact O-N 3.38Å; R19-A22 WeakPolarHBondContact O-CB 3.43Å; R19-A22 PolarHBondContact O-N 2.93Å
20M76.1Confident75.1Confident15 Ų1594.7 Ų94.77%0.07444%0.438CS..Hα-helixtrans-67.9-37.5178.6-71.6173.4170.900112.4T5 Y8 R16 R17 A22 D23 P62T5-M20 HydrophobicContact CG2-CE 3.34Å; T5-M20 HydrophobicContact CG2-SD 4.19Å; Y8-M20 HydrophobicContact CD2-CE 3.65Å; Y8-M20 HydrophobicContact CD2-CG 4.03Å; Y8-M20 HydrophobicContact CE2-CG 4.28Å; Y8-M20 HydrophobicContact CG-CE 4.23Å; R16-M20 HydrophobicContact CG-CE 3.34Å; R16-M20 HydrophobicContact CG-CG 4.34Å; R16-M20 HydrophobicContact CG-SD 3.54Å; R16-M20 VanDerWaalsContact CG-SD 3.54Å; R16-M20 WeakPolarHBondContact O-CG 3.41Å; R16-M20 PolarHBondContact O-N 2.91Å; R17-M20 PolarHBondContact O-N 3.01Å; M20-A22 PolarHBondContact O-N 3.49Å; M20-D23 PolarHBondContact O-N 3.37Å; M20-D23 VanDerWaalsContact O-N 3.14Å; M20-P62 WeakPolarHBondContact CB-O 3.41Å
21L73.5Confident75.3Confident88 Ų8885.1 Ų85.146%0.46140%0.403SS..Hα-helixtrans-65.6-24.2175.6-69.4176.2000113.3R17 D23R17-L21 HydrophobicContact CG-CD1 3.84Å; R17-L21 HydrophobicContact CG-CG 4.33Å; R17-L21 WeakPolarHBondContact O-CB 3.16Å; R17-L21 VanDerWaalsContact O-CG 3.28Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 3Å; L21-D23 VanDerWaalsContact C-N 3.31Å
22A72.3Confident75.2Confident83 Ų8383.8 Ų83.869%0.68640%0.403SS*.Hα-helixtrans-73.1-25175.200000112.5R19 M20 R24R19-A22 WeakPolarHBondContact O-CB 3.43Å; R19-A22 PolarHBondContact O-N 2.93Å; M20-A22 PolarHBondContact O-N 3.49Å; A22-R24 PolarHBondContact O-N 3.15Å
23D65.3Low75.3Confident64 Ų6486.5 Ų86.534%0.34242%0.415SS..SBendtrans-91.671.2177.9-162.93.4000109.5R4 M20 L21 S25R4-D23 IonicContact CZ-OD1 2.87Å; R4-D23 IonicContact CZ-OD2 3.44Å; R4-D23 IonicContact NE-OD1 2.82Å; R4-D23 IonicContact NE-OD2 3.68Å; R4-D23 PolarHBondContact NE-OD2 2.9Å; R4-D23 IonicContact NH2-OD1 3.1Å; R4-D23 PolarHBondContact NH2-OD1 3.27Å; R4-D23 IonicContact NH2-OD2 3.44Å; R4-D23 PolarHBondContact NH2-OD2 3.32Å; M20-D23 PolarHBondContact O-N 3.37Å; M20-D23 VanDerWaalsContact O-N 3.14Å; L21-D23 VanDerWaalsContact C-N 3.31Å; D23-S25 PolarHBondContact O-N 3.09Å
24R55.2Low75.5Confident226 Ų22686.4 Ų86.485%0.85341%0.414SS*.  trans-61.1115.7-171-76-178.6168.3-180-3.6112.6A22A22-R24 PolarHBondContact O-N 3.15Å
25S53.8Low75.7Confident64 Ų6482.9 Ų82.945%0.44840%0.402SS..  trans-143.395.4149.969.20000109.7D23 R27D23-S25 PolarHBondContact O-N 3.09Å; S25-R27 PolarHBondContact O-N 3.27Å
26V57.4Low75.8Confident103 Ų10381 Ų8162%0.62440%0.395SS*.  trans-85.6104.1180-178.70000109.2V32V26-V32 HydrophobicContact CG1-CG2 3.62Å; V26-V32 HydrophobicContact CG2-CG2 4.3Å
27R57.5Low76.3Confident206 Ų20682.3 Ų82.378%0.77740%0.401SS*.  trans-96-4.4175.9-143.8178.5-85.2-128.8-0112.3S25S25-R27 PolarHBondContact O-N 3.27Å
28F60.1Low76.7Confident108 Ų10880.1 Ų80.147%0.47439%0.393SS..  trans-144.491.8-170.5-55.6-77000113D31 V32F28-D31 HydrophobicContact CB-CB 3.97Å; F28-D31 VanDerWaalsContact CB-OD2 3.31Å; F28-D31 WeakPolarHBondContact CB-OD2 3.36Å; F28-V32 WeakPolarHBondContact O-CG2 3.46Å; F28-V32 PolarHBondContact O-N 3.38Å
29P71.1Confident77Confident92 Ų9273.4 Ų73.460%0.59737%0.367SS*.Hα-helixtrans-69.2-34.9-175.424.2-32000113.9L33P29-L33 WeakPolarHBondContact O-CG 3.39Å; P29-L33 PolarHBondContact O-N 2.85Å; P29-L33 VanDerWaalsContact O-N 3.14Å
30N81.2Confident77.5Confident68 Ų6875.4 Ų75.436%0.36438%0.381SS..Hα-helixtrans-68-41.2178.9-73.9-22.7000112.1L33 F34 F49N30-L33 PolarHBondContact O-N 3.35Å; N30-F34 WeakPolarHBondContact O-CB 3.38Å; N30-F34 PolarHBondContact O-N 3.04Å; N30-F49 HydrophobicContact CB-CE1 4.2Å
31D83Confident78.3Confident21 Ų2175.5 Ų75.511%0.11239%0.386CS..Hα-helixtrans-64.7-42.1178-68.4-32.7000111.2F28 F34 L35 H61F28-D31 HydrophobicContact CB-CB 3.97Å; F28-D31 VanDerWaalsContact CB-OD2 3.31Å; F28-D31 WeakPolarHBondContact CB-OD2 3.36Å; D31-F34 PolarHBondContact O-N 3.26Å; D31-L35 WeakPolarHBondContact O-CB 3.28Å; D31-L35 VanDerWaalsContact O-CG 3.27Å; D31-L35 WeakPolarHBondContact O-CG 3.48Å; D31-L35 PolarHBondContact O-N 2.93Å; D31-H61 IonicContact OD1-CE1 2.77Å
32V82.1Confident79.4Confident55 Ų5573.8 Ų73.833%0.33338%0.377SS..Hα-helixtrans-61.1-49.3177.5172.20000111.2V26 F28 F34 L35 D36V26-V32 HydrophobicContact CG1-CG2 3.62Å; V26-V32 HydrophobicContact CG2-CG2 4.3Å; F28-V32 WeakPolarHBondContact O-CG2 3.46Å; F28-V32 PolarHBondContact O-N 3.38Å; V32-F34 VanDerWaalsContact C-N 3.34Å; V32-F34 PolarHBondContact O-N 3Å; V32-L35 PolarHBondContact O-N 3Å; V32-D36 PolarHBondContact O-N 2.79Å
33L88.2Confident80.6Confident87 Ų8772.1 Ų72.146%0.45536%0.356SS..Hα-helixtrans-63.2-41.4177.9-68.8173.7000111.9P29 N30 D36 H37 F49P29-L33 WeakPolarHBondContact O-CG 3.39Å; P29-L33 PolarHBondContact O-N 2.85Å; P29-L33 VanDerWaalsContact O-N 3.14Å; N30-L33 PolarHBondContact O-N 3.35Å; L33-D36 PolarHBondContact O-N 3.07Å; L33-H37 PolarHBondContact O-CD2 2.9Å; L33-H37 PolarHBondContact O-N 3.42Å; L33-F49 HydrophobicContact CB-CE1 4.44Å; L33-F49 HydrophobicContact CB-CZ 3.86Å
34F92.5Very high82.1Confident0 Ų076.3 Ų76.30%037%0.374CS..Hα-helixtrans-59.7-47176.4174.9-119.8000112N30 D31 V32 D36 H37 I38 V46 F49 I50 V55 L57 A67 L83N30-F34 WeakPolarHBondContact O-CB 3.38Å; N30-F34 PolarHBondContact O-N 3.04Å; D31-F34 PolarHBondContact O-N 3.26Å; V32-F34 VanDerWaalsContact C-N 3.34Å; V32-F34 PolarHBondContact O-N 3Å; F34-D36 VanDerWaalsContact C-N 3.33Å; F34-D36 PolarHBondContact O-N 3.3Å; F34-H37 PolarHBondContact O-N 3.21Å; F34-I38 HydrophobicContact CD1-CD1 4.07Å; F34-I38 HydrophobicContact CE1-CD1 3.61Å; F34-I38 HydrophobicContact CE2-CD1 4.17Å; F34-I38 HydrophobicContact CE2-CG1 4.47Å; F34-I38 HydrophobicContact CZ-CD1 3.67Å; F34-I38 HydrophobicContact CZ-CG1 4.42Å; F34-I38 PolarHBondContact O-N 3.42Å; F34-V46 HydrophobicContact CE2-CB 4.41Å; F34-V46 HydrophobicContact CE2-CG1 3.89Å; F34-V46 HydrophobicContact CZ-CG1 4.48Å; F34-F49 HydrophobicContact CB-CD1 4.04Å; F34-F49 HydrophobicContact CB-CE1 4.43Å; F34-F49 HydrophobicContact CB-CG 4.18Å; F34-F49 HydrophobicContact CD2-CB 3.5Å; F34-F49 VanDerWaalsContact CD2-CB 3.5Å; F34-F49 HydrophobicContact CD2-CD2 4.47Å; F34-F49 AromaticContact CD2-CG 3.96Å; F34-F49 HydrophobicContact CD2-CG 3.96Å; F34-F49 HydrophobicContact CE2-CB 4.03Å; F34-F49 HydrophobicContact CG-CB 4.31Å; F34-F49 HydrophobicContact CG-CG 4.49Å; F34-I50 HydrophobicContact CE2-CD1 4.23Å; F34-I50 HydrophobicContact CE2-CG1 3.87Å; F34-I50 HydrophobicContact CZ-CD1 4.24Å; F34-I50 HydrophobicContact CZ-CG1 3.99Å; F34-V55 HydrophobicContact CB-CG1 3.85Å; F34-V55 HydrophobicContact CD1-CB 4.06Å; F34-V55 HydrophobicContact CD1-CG1 3.93Å; F34-V55 HydrophobicContact CD1-CG2 4Å; F34-V55 HydrophobicContact CD2-CG1 4.49Å; F34-V55 HydrophobicContact CD2-CG2 4.15Å; F34-V55 HydrophobicContact CE1-CB 4.28Å; F34-V55 HydrophobicContact CE1-CG2 3.88Å; F34-V55 HydrophobicContact CE2-CG2 4.03Å; F34-V55 HydrophobicContact CG-CB 4.35Å; F34-V55 HydrophobicContact CG-CG1 3.85Å; F34-V55 HydrophobicContact CG-CG2 4.12Å; F34-V55 HydrophobicContact CZ-CG2 3.9Å; F34-L57 HydrophobicContact CE1-CD2 4.1Å; F34-L57 HydrophobicContact CZ-CD2 3.72Å; F34-A67 HydrophobicContact CE1-CB 3.81Å; F34-A67 HydrophobicContact CZ-CB 4.37Å; F34-L83 HydrophobicContact CZ-CD2 4.15Å
35L91.3Very high84.1Confident8 Ų867.6 Ų67.64%0.04234%0.343CS..Hα-helixtrans-65.3-35.2176.7-70.1-173.9000112.6D31 V32 H37 I38 R39 H61 E70D31-L35 WeakPolarHBondContact O-CB 3.28Å; D31-L35 VanDerWaalsContact O-CG 3.27Å; D31-L35 WeakPolarHBondContact O-CG 3.48Å; D31-L35 PolarHBondContact O-N 2.93Å; V32-L35 PolarHBondContact O-N 3Å; L35-H37 VanDerWaalsContact C-N 3.35Å; L35-I38 HydrophobicContact CD2-CD1 4.08Å; L35-I38 WeakPolarHBondContact O-CB 3.43Å; L35-I38 PolarHBondContact O-N 3.35Å; L35-R39 VanDerWaalsContact O-CG 3.29Å; L35-R39 WeakPolarHBondContact O-CG 3.33Å; L35-R39 PolarHBondContact O-N 3.25Å; L35-H61 HydrophobicContact CD1-CB 3.9Å; L35-E70 HydrophobicContact CD2-CB 4.2Å; L35-E70 HydrophobicContact CD2-CG 3.96Å
36D91.4Very high86.1Confident56 Ų5664.5 Ų64.530%0.29932%0.321SS..Hα-helixtrans-64.2-41.5175.2-76.2-15.6000111.4V32 L33 F34 I38 R39 Q40V32-D36 PolarHBondContact O-N 2.79Å; L33-D36 PolarHBondContact O-N 3.07Å; F34-D36 VanDerWaalsContact C-N 3.33Å; F34-D36 PolarHBondContact O-N 3.3Å; D36-I38 VanDerWaalsContact C-N 3.34Å; D36-I38 PolarHBondContact O-N 3.48Å; D36-R39 PolarHBondContact O-N 3.4Å; D36-R39 IonicContact OD1-CZ 3.04Å; D36-R39 IonicContact OD1-NH1 3.81Å; D36-R39 PolarHBondContact OD1-NH1 3.3Å; D36-Q40 WeakPolarHBondContact O-CB 3.3Å; D36-Q40 VanDerWaalsContact O-CG 3.25Å; D36-Q40 WeakPolarHBondContact O-CG 3.41Å; D36-Q40 PolarHBondContact O-N 2.97Å
37H95.5Very high88Confident30 Ų3063.6 Ų63.614%0.13931%0.307CS..Hα-helixtrans-63.4-37.8172.7-69.4-60.6000112.4L33 F34 L35 Q40 G41 D42 Q45 V46 F49L33-H37 PolarHBondContact O-CD2 2.9Å; L33-H37 PolarHBondContact O-N 3.42Å; F34-H37 PolarHBondContact O-N 3.21Å; L35-H37 VanDerWaalsContact C-N 3.35Å; H37-Q40 PolarHBondContact O-N 2.65Å; H37-G41 PolarHBondContact O-N 3.26Å; H37-D42 HydrophobicContact CB-CB 4.09Å; H37-D42 IonicContact CE1-OD2 3.88Å; H37-D42 IonicContact ND1-OD2 3.06Å; H37-D42 PolarHBondContact ND1-OD2 3.39Å; H37-D42 PolarHBondContact O-N 3.5Å; H37-Q45 HydrophobicContact CB-CB 4.09Å; H37-Q45 VanDerWaalsContact CG-CB 3.48Å; H37-Q45 WeakPolarHBondContact ND1-CB 3.43Å; H37-Q45 PolarHBondContact NE2-NE2 3.3Å; H37-V46 HydrophobicContact CB-CG2 3.93Å; H37-F49 AromaticContact CD2-CE2 3.63Å; H37-F49 AromaticContact NE2-CE2 3.87Å
38I95.4Very high89.9Confident0 Ų061.9 Ų61.90%030%0.3CS..Hα-helixtrans-60.3-47.8172.4-71.1171.9000111F34 L35 D36 Q40 G41 V46 A67 E70 A71 L83F34-I38 HydrophobicContact CD1-CD1 4.07Å; F34-I38 HydrophobicContact CE1-CD1 3.61Å; F34-I38 HydrophobicContact CE2-CD1 4.17Å; F34-I38 HydrophobicContact CE2-CG1 4.47Å; F34-I38 HydrophobicContact CZ-CD1 3.67Å; F34-I38 HydrophobicContact CZ-CG1 4.42Å; F34-I38 PolarHBondContact O-N 3.42Å; L35-I38 HydrophobicContact CD2-CD1 4.08Å; L35-I38 WeakPolarHBondContact O-CB 3.43Å; L35-I38 PolarHBondContact O-N 3.35Å; D36-I38 VanDerWaalsContact C-N 3.34Å; D36-I38 PolarHBondContact O-N 3.48Å; I38-Q40 VanDerWaalsContact C-N 3.3Å; I38-Q40 PolarHBondContact O-N 3.38Å; I38-G41 PolarHBondContact O-N 2.89Å; I38-G41 VanDerWaalsContact O-N 3.12Å; I38-V46 HydrophobicContact CG1-CG1 4.41Å; I38-V46 HydrophobicContact CG1-CG2 3.73Å; I38-A67 HydrophobicContact CD1-CB 3.89Å; I38-E70 HydrophobicContact CG2-CB 4.14Å; I38-A71 HydrophobicContact CG2-CB 3.76Å; I38-L83 HydrophobicContact CD1-CD1 4.11Å; I38-L83 HydrophobicContact CD1-CD2 4.44Å
39R90.8Very high91.6Very high66 Ų6657.8 Ų57.825%0.24928%0.282CS..Hα-helixtrans-64.1-35.9-179.1-70.2171.1-166.6133.92.7112.5L35 D36 G41 E70L35-R39 VanDerWaalsContact O-CG 3.29Å; L35-R39 WeakPolarHBondContact O-CG 3.33Å; L35-R39 PolarHBondContact O-N 3.25Å; D36-R39 PolarHBondContact O-N 3.4Å; D36-R39 IonicContact OD1-CZ 3.04Å; D36-R39 IonicContact OD1-NH1 3.81Å; D36-R39 PolarHBondContact OD1-NH1 3.3Å; R39-G41 VanDerWaalsContact C-N 3.31Å; R39-E70 IonicContact CZ-OE1 3.12Å; R39-E70 IonicContact CZ-OE2 2.92Å; R39-E70 IonicContact NE-OE1 3.51Å; R39-E70 IonicContact NE-OE2 2.74Å; R39-E70 PolarHBondContact NE-OE2 2.95Å; R39-E70 IonicContact NH2-OE1 3.94Å; R39-E70 PolarHBondContact NH2-OE1 3.47Å; R39-E70 IonicContact NH2-OE2 3.86Å
40Q93.1Very high92.7Very high143 Ų14354.4 Ų54.467%0.66826%0.259SS*.Hα-helixtrans-80.1-13.3177.3-67.4170.122.300112.8D36 H37 I38 D42D36-Q40 WeakPolarHBondContact O-CB 3.3Å; D36-Q40 VanDerWaalsContact O-CG 3.25Å; D36-Q40 WeakPolarHBondContact O-CG 3.41Å; D36-Q40 PolarHBondContact O-N 2.97Å; H37-Q40 PolarHBondContact O-N 2.65Å; I38-Q40 VanDerWaalsContact C-N 3.3Å; I38-Q40 PolarHBondContact O-N 3.38Å; Q40-D42 VanDerWaalsContact C-N 3.32Å
41G94Very high93.4Very high17 Ų1759.5 Ų59.518%0.17527%0.273CS..THydrogen-bonded Turntrans73.422-174.800000114H37 I38 R39 L43 N76H37-G41 PolarHBondContact O-N 3.26Å; I38-G41 PolarHBondContact O-N 2.89Å; I38-G41 VanDerWaalsContact O-N 3.12Å; R39-G41 VanDerWaalsContact C-N 3.31Å; G41-L43 VanDerWaalsContact C-N 3.29Å; G41-L43 WeakPolarHBondContact O-CG 3.42Å; G41-L43 PolarHBondContact O-N 2.98Å; G41-N76 WeakPolarHBondContact CA-ND2 3.42Å
42D97Very high93.9Very high53 Ų5361 Ų6128%0.28329%0.289SS..  trans-75.980.9178.3-176.5-13.2000110.3H37 Q40 E44 Q45 V46H37-D42 HydrophobicContact CB-CB 4.09Å; H37-D42 IonicContact CE1-OD2 3.88Å; H37-D42 IonicContact ND1-OD2 3.06Å; H37-D42 PolarHBondContact ND1-OD2 3.39Å; H37-D42 PolarHBondContact O-N 3.5Å; Q40-D42 VanDerWaalsContact C-N 3.32Å; D42-E44 PolarHBondContact O-N 3.01Å; D42-E44 PolarHBondContact OD1-N 3.32Å; D42-Q45 HydrophobicContact CB-CB 4.4Å; D42-Q45 PolarHBondContact O-N 2.93Å; D42-Q45 PolarHBondContact OD1-N 3.01Å; D42-Q45 WeakPolarHBondContact OD2-CB 3.3Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.42Å; D42-V46 VanDerWaalsContact O-CG2 3.27Å; D42-V46 WeakPolarHBondContact O-CG2 3.32Å; D42-V46 PolarHBondContact O-N 3.02Å
43L97.3Very high94.2Very high47 Ų4766.9 Ų66.925%0.24631%0.312CS..Hα-helixtrans-62.4-29-174.6-56.8-174.7000112.9G41 R47 E78 C79 L82G41-L43 VanDerWaalsContact C-N 3.29Å; G41-L43 WeakPolarHBondContact O-CG 3.42Å; G41-L43 PolarHBondContact O-N 2.98Å; L43-R47 WeakPolarHBondContact O-CB 3.43Å; L43-R47 WeakPolarHBondContact O-CG 3.35Å; L43-R47 PolarHBondContact O-N 3.29Å; L43-E78 HydrophobicContact CD1-CB 3.92Å; L43-C79 HydrophobicContact CD2-CB 3.81Å; L43-L82 HydrophobicContact CB-CD2 4.1Å; L43-L82 HydrophobicContact CD2-CD2 3.95Å
44E97.1Very high94Very high153 Ų15368.4 Ų68.472%0.71532%0.315SS*.Hα-helixtrans-67.5-49.7178.7-176.2176.1177.900110.1D42 R47 R48D42-E44 PolarHBondContact O-N 3.01Å; D42-E44 PolarHBondContact OD1-N 3.32Å; E44-R47 WeakPolarHBondContact O-CB 3.07Å; E44-R47 PolarHBondContact O-N 3.12Å; E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 3.24Å
45Q96.1Very high93.9Very high42 Ų4269.6 Ų69.620%0.19632%0.322CS..Hα-helixtrans-68.6-40.3178.7-70.5-74.6104.700111.5H37 D42 R47 R48 F49H37-Q45 HydrophobicContact CB-CB 4.09Å; H37-Q45 VanDerWaalsContact CG-CB 3.48Å; H37-Q45 WeakPolarHBondContact ND1-CB 3.43Å; H37-Q45 PolarHBondContact NE2-NE2 3.3Å; D42-Q45 HydrophobicContact CB-CB 4.4Å; D42-Q45 PolarHBondContact O-N 2.93Å; D42-Q45 PolarHBondContact OD1-N 3.01Å; D42-Q45 WeakPolarHBondContact OD2-CB 3.3Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.42Å; Q45-R47 VanDerWaalsContact C-N 3.32Å; Q45-R47 PolarHBondContact O-N 3.07Å; Q45-R48 WeakPolarHBondContact O-CB 3.5Å; Q45-R48 PolarHBondContact O-N 2.81Å; Q45-F49 WeakPolarHBondContact O-CD2 3.46Å; Q45-F49 PolarHBondContact O-N 3.07Å
46V96.9Very high93.9Very high0 Ų072.2 Ų72.20%034%0.341CS..Hα-helixtrans-54.4-48.4172.6172.20000110.8F34 H37 I38 D42 R48 F49 I50 L82 L83F34-V46 HydrophobicContact CE2-CB 4.41Å; F34-V46 HydrophobicContact CE2-CG1 3.89Å; F34-V46 HydrophobicContact CZ-CG1 4.48Å; H37-V46 HydrophobicContact CB-CG2 3.93Å; I38-V46 HydrophobicContact CG1-CG1 4.41Å; I38-V46 HydrophobicContact CG1-CG2 3.73Å; D42-V46 VanDerWaalsContact O-CG2 3.27Å; D42-V46 WeakPolarHBondContact O-CG2 3.32Å; D42-V46 PolarHBondContact O-N 3.02Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.17Å; V46-F49 PolarHBondContact O-N 3.43Å; V46-I50 HydrophobicContact CG1-CD1 3.88Å; V46-I50 VanDerWaalsContact O-CG1 3.3Å; V46-I50 WeakPolarHBondContact O-CG1 3.4Å; V46-I50 PolarHBondContact O-N 3.13Å; V46-L82 HydrophobicContact CB-CD2 4.03Å; V46-L82 HydrophobicContact CG1-CD2 3.64Å; V46-L82 HydrophobicContact CG1-CG 4.48Å; V46-L83 HydrophobicContact CG1-CD2 3.91Å
47R97.2Very high94.1Very high84 Ų8470.7 Ų70.732%0.31733%0.333SS..Hα-helixtrans-58.5-42.9175-75.6170.9-162.2-932.3112.1L43 E44 Q45 I50 R51 L82 Y86L43-R47 WeakPolarHBondContact O-CB 3.43Å; L43-R47 WeakPolarHBondContact O-CG 3.35Å; L43-R47 PolarHBondContact O-N 3.29Å; E44-R47 WeakPolarHBondContact O-CB 3.07Å; E44-R47 PolarHBondContact O-N 3.12Å; Q45-R47 VanDerWaalsContact C-N 3.32Å; Q45-R47 PolarHBondContact O-N 3.07Å; R47-I50 PolarHBondContact O-N 3.38Å; R47-R51 WeakPolarHBondContact O-CB 3.34Å; R47-R51 VanDerWaalsContact O-CG 3.31Å; R47-R51 WeakPolarHBondContact O-CG 3.4Å; R47-R51 PolarHBondContact O-N 3.04Å; R47-L82 HydrophobicContact CG-CD1 3.76Å; R47-L82 HydrophobicContact CG-CD2 3.88Å; R47-L82 HydrophobicContact CG-CG 4.35Å; R47-Y86 HydrophobicContact CG-CE2 4.09Å
48R96.7Very high94Very high170 Ų17071.8 Ų71.864%0.64235%0.348SS*.Hα-helixtrans-63.8-44.1-177.3-172.5-179.9176.9-175.70.6111.9E44 Q45 V46 A52E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 3.24Å; Q45-R48 WeakPolarHBondContact O-CB 3.5Å; Q45-R48 PolarHBondContact O-N 2.81Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.17Å; R48-A52 VanDerWaalsContact O-CB 3.26Å; R48-A52 WeakPolarHBondContact O-CB 3.36Å; R48-A52 PolarHBondContact O-N 2.91Å
49F94.9Very high93.7Very high21 Ų2174 Ų749%0.09236%0.361CS..Hα-helixtrans-62.6-44.7177-88.4-90.8000112.1N30 L33 F34 H37 Q45 V46 A52 Q53 K54 V55N30-F49 HydrophobicContact CB-CE1 4.2Å; L33-F49 HydrophobicContact CB-CE1 4.44Å; L33-F49 HydrophobicContact CB-CZ 3.86Å; F34-F49 HydrophobicContact CB-CD1 4.04Å; F34-F49 HydrophobicContact CB-CE1 4.43Å; F34-F49 HydrophobicContact CB-CG 4.18Å; F34-F49 HydrophobicContact CD2-CB 3.5Å; F34-F49 VanDerWaalsContact CD2-CB 3.5Å; F34-F49 HydrophobicContact CD2-CD2 4.47Å; F34-F49 AromaticContact CD2-CG 3.96Å; F34-F49 HydrophobicContact CD2-CG 3.96Å; F34-F49 HydrophobicContact CE2-CB 4.03Å; F34-F49 HydrophobicContact CG-CB 4.31Å; F34-F49 HydrophobicContact CG-CG 4.49Å; H37-F49 AromaticContact CD2-CE2 3.63Å; H37-F49 AromaticContact NE2-CE2 3.87Å; Q45-F49 WeakPolarHBondContact O-CD2 3.46Å; Q45-F49 PolarHBondContact O-N 3.07Å; V46-F49 PolarHBondContact O-N 3.43Å; F49-A52 PolarHBondContact O-N 3.42Å; F49-Q53 PolarHBondContact O-N 3.38Å; F49-K54 HydrophobicContact CD1-CB 4.32Å; F49-K54 PolarHBondContact O-N 3.39Å; F49-V55 HydrophobicContact CB-CG2 4.28Å; F49-V55 HydrophobicContact CD1-CG1 4.12Å
50I95.1Very high93.6Very high22 Ų2273.7 Ų73.711%0.11336%0.364CS..Hα-helixtrans-65.1-49.1179.4-62.6167.2000110.9F34 V46 R47 A52 Q53 V55 L57 L83 Y86F34-I50 HydrophobicContact CE2-CD1 4.23Å; F34-I50 HydrophobicContact CE2-CG1 3.87Å; F34-I50 HydrophobicContact CZ-CD1 4.24Å; F34-I50 HydrophobicContact CZ-CG1 3.99Å; V46-I50 HydrophobicContact CG1-CD1 3.88Å; V46-I50 VanDerWaalsContact O-CG1 3.3Å; V46-I50 WeakPolarHBondContact O-CG1 3.4Å; V46-I50 PolarHBondContact O-N 3.13Å; R47-I50 PolarHBondContact O-N 3.38Å; I50-A52 VanDerWaalsContact C-N 3.28Å; I50-A52 PolarHBondContact O-N 3.35Å; I50-Q53 PolarHBondContact O-N 3.02Å; I50-V55 HydrophobicContact CG1-CG2 4.38Å; I50-L57 HydrophobicContact CD1-CD2 4.04Å; I50-L57 HydrophobicContact CG1-CD2 4.02Å; I50-L83 HydrophobicContact CD1-CD2 3.76Å; I50-Y86 HydrophobicContact CD1-CD2 4.19Å; I50-Y86 HydrophobicContact CD1-CG 4.31Å; I50-Y86 HydrophobicContact CG2-CD1 3.64Å; I50-Y86 HydrophobicContact CG2-CD2 4.5Å; I50-Y86 HydrophobicContact CG2-CE1 4.25Å; I50-Y86 HydrophobicContact CG2-CG 3.79Å
51R95.1Very high93.2Very high174 Ų17467.1 Ų67.166%0.65733%0.333SS*.Hα-helixtrans-63.2-33.6-179.7-75.5178175.7175.6-5.3113.2R47 Q53 Y86R47-R51 WeakPolarHBondContact O-CB 3.34Å; R47-R51 VanDerWaalsContact O-CG 3.31Å; R47-R51 WeakPolarHBondContact O-CG 3.4Å; R47-R51 PolarHBondContact O-N 3.04Å; R51-Q53 PolarHBondContact O-N 2.88Å; R51-Y86 HydrophobicContact CG-CE1 4.31Å; R51-Y86 PolarHBondContact NE-OH 3.1Å; R51-Y86 PolarHBondContact NH2-OH 3.05Å
52A94.4Very high92.5Very high53 Ų5370.3 Ų70.344%0.43835%0.351SS..THydrogen-bonded Turntrans-75.60.6175.700000113.2R48 F49 I50 K54R48-A52 VanDerWaalsContact O-CB 3.26Å; R48-A52 WeakPolarHBondContact O-CB 3.36Å; R48-A52 PolarHBondContact O-N 2.91Å; F49-A52 PolarHBondContact O-N 3.42Å; I50-A52 VanDerWaalsContact C-N 3.28Å; I50-A52 PolarHBondContact O-N 3.35Å; A52-K54 HydrophobicContact CB-CD 4.02Å; A52-K54 HydrophobicContact CB-CG 3.81Å; A52-K54 PolarHBondContact O-N 3.38Å; A52-K54 VanDerWaalsContact O-N 3.14Å
53Q88.5Confident91.5Very high178 Ų17868 Ų6883%0.83234%0.338SS*.THydrogen-bonded Turntrans52.333.4-177.1-57.6-179.714.200112.7F49 I50 R51 V55F49-Q53 PolarHBondContact O-N 3.38Å; I50-Q53 PolarHBondContact O-N 3.02Å; R51-Q53 PolarHBondContact O-N 2.88Å; Q53-V55 VanDerWaalsContact C-N 3.35Å
54K84.7Confident90.9Very high120 Ų12065.7 Ų65.752%0.52233%0.327SS..  trans-86.3-8.8-177.5-71.6-174.6176.8-173.60113.6F49 A52F49-K54 HydrophobicContact CD1-CB 4.32Å; F49-K54 PolarHBondContact O-N 3.39Å; A52-K54 HydrophobicContact CB-CD 4.02Å; A52-K54 HydrophobicContact CB-CG 3.81Å; A52-K54 PolarHBondContact O-N 3.38Å; A52-K54 VanDerWaalsContact O-N 3.14Å
55V88.8Confident90.6Very high24 Ų2458.4 Ų58.415%0.14529%0.293CS..  trans-143.8152.3-173.7-62.90000109.6F34 F49 I50 Q53F34-V55 HydrophobicContact CB-CG1 3.85Å; F34-V55 HydrophobicContact CD1-CB 4.06Å; F34-V55 HydrophobicContact CD1-CG1 3.93Å; F34-V55 HydrophobicContact CD1-CG2 4Å; F34-V55 HydrophobicContact CD2-CG1 4.49Å; F34-V55 HydrophobicContact CD2-CG2 4.15Å; F34-V55 HydrophobicContact CE1-CB 4.28Å; F34-V55 HydrophobicContact CE1-CG2 3.88Å; F34-V55 HydrophobicContact CE2-CG2 4.03Å; F34-V55 HydrophobicContact CG-CB 4.35Å; F34-V55 HydrophobicContact CG-CG1 3.85Å; F34-V55 HydrophobicContact CG-CG2 4.12Å; F34-V55 HydrophobicContact CZ-CG2 3.9Å; F49-V55 HydrophobicContact CB-CG2 4.28Å; F49-V55 HydrophobicContact CD1-CG1 4.12Å; I50-V55 HydrophobicContact CG1-CG2 4.38Å; Q53-V55 VanDerWaalsContact C-N 3.35Å
56S92.5Very high90.5Very high63 Ų6356.5 Ų56.544%0.44128%0.284SS..  trans-107.4134.7167.21700000109.1A58 T59S56-A58 VanDerWaalsContact C-N 3.27Å; S56-A58 PolarHBondContact O-N 3.3Å; S56-A58 PolarHBondContact OG-N 3.08Å; S56-T59 WeakPolarHBondContact CB-OG1 3.46Å; S56-T59 PolarHBondContact O-N 3.01Å; S56-T59 PolarHBondContact O-OG1 3.31Å
57L94.2Very high90.5Very high25 Ų2556.5 Ų56.513%0.13128%0.284CS..THydrogen-bonded Turntrans-73.1-22.1-178.3-61.4-176.1000112.9F34 I50 A67 L83 A88F34-L57 HydrophobicContact CE1-CD2 4.1Å; F34-L57 HydrophobicContact CZ-CD2 3.72Å; I50-L57 HydrophobicContact CD1-CD2 4.04Å; I50-L57 HydrophobicContact CG1-CD2 4.02Å; L57-A67 HydrophobicContact CD2-CB 4.1Å; L57-L83 HydrophobicContact CD2-CD2 3.89Å; L57-A88 HydrophobicContact CB-CB 4.32Å; L57-A88 HydrophobicContact CD1-CB 4.05Å
58A93.8Very high90.5Very high53 Ų5352.6 Ų52.644%0.43827%0.269SS..THydrogen-bonded Turntrans-87.9-4.7177.800000113.1S56 I60S56-A58 VanDerWaalsContact C-N 3.27Å; S56-A58 PolarHBondContact O-N 3.3Å; S56-A58 PolarHBondContact OG-N 3.08Å; A58-I60 PolarHBondContact O-N 3.17Å
59T90.6Very high90.6Very high45 Ų4544.5 Ų44.528%0.27624%0.238SC..  trans-61.2122.1178-64.40000110S56 H61 A66S56-T59 WeakPolarHBondContact CB-OG1 3.46Å; S56-T59 PolarHBondContact O-N 3.01Å; S56-T59 PolarHBondContact O-OG1 3.31Å; T59-H61 PolarHBondContact O-CD2 3Å; T59-H61 PolarHBondContact O-N 2.92Å; T59-A66 WeakPolarHBondContact O-CA 3.33Å
60I87.8Confident90.6Very high60 Ų6043.5 Ų43.531%0.30823%0.234SC..  trans-80.4111.1166.6-56.8-54.4000108.1A58 A66 E95A58-I60 PolarHBondContact O-N 3.17Å; I60-A66 HydrophobicContact CD1-CB 3.94Å; I60-E95 HydrophobicContact CG2-CG 3.49Å; I60-E95 VanDerWaalsContact CG2-CG 3.49Å
61H84.3Confident90.7Very high5 Ų542.4 Ų42.42%0.02323%0.229CC..  trans-79.3168-177-62-70.9000111.4D31 L35 T59 S63 G64 L65D31-H61 IonicContact OD1-CE1 2.77Å; L35-H61 HydrophobicContact CD1-CB 3.9Å; T59-H61 PolarHBondContact O-CD2 3Å; T59-H61 PolarHBondContact O-N 2.92Å; H61-S63 PolarHBondContact O-N 2.9Å; H61-G64 WeakPolarHBondContact O-CA 3.38Å; H61-G64 PolarHBondContact O-N 3.46Å; H61-L65 WeakPolarHBondContact CB-O 3.27Å; H61-L65 PolarHBondContact CD2-O 3.29Å; H61-L65 VanDerWaalsContact CD2-O 3.26Å; H61-L65 PolarHBondContact N-O 3.09Å
62P78.6Confident90.9Very high85 Ų8534.1 Ų34.155%0.55220%0.197SC*.THydrogen-bonded Turntrans-57.9-15.7178.2-27.536.1000115.5M20 G64M20-P62 WeakPolarHBondContact CB-O 3.41Å; P62-G64 PolarHBondContact O-N 2.88Å
63S76.6Confident91Very high3 Ų331.7 Ų31.72%0.02118%0.177CC..THydrogen-bonded Turntrans-72.8-3.5168.750.30000113.9H61 L65 E70H61-S63 PolarHBondContact O-N 2.9Å; S63-L65 VanDerWaalsContact C-N 3.29Å; S63-E70 PolarHBondContact OG-OE1 3.16Å; S63-E70 VanDerWaalsContact OG-OE1 3.11Å
64G85.6Confident91.3Very high0 Ų025 Ų250%015%0.15CC..SBendtrans73.918.2-174.600000113.8H61 P62 D94 E95H61-G64 WeakPolarHBondContact O-CA 3.38Å; H61-G64 PolarHBondContact O-N 3.46Å; P62-G64 PolarHBondContact O-N 2.88Å; G64-D94 WeakPolarHBondContact O-CB 3.5Å; G64-E95 WeakPolarHBondContact CA-OE2 3.42Å; G64-E95 PolarHBondContact O-N 3.13Å
65L90.8Very high91.9Very high0 Ų020.7 Ų20.70%014%0.14CC..  trans-125147.5-173.1-59.6177.5000111.1P13 R17 H61 S63 H69 E70 L73 D94 I103P13-L65 HydrophobicContact CB-CD2 4.07Å; R17-L65 HydrophobicContact CB-CD1 4.1Å; R17-L65 HydrophobicContact CG-CD1 4.4Å; H61-L65 WeakPolarHBondContact CB-O 3.27Å; H61-L65 PolarHBondContact CD2-O 3.29Å; H61-L65 VanDerWaalsContact CD2-O 3.26Å; H61-L65 PolarHBondContact N-O 3.09Å; S63-L65 VanDerWaalsContact C-N 3.29Å; L65-H69 HydrophobicContact CB-CB 3.96Å; L65-H69 HydrophobicContact CD2-CB 4.01Å; L65-H69 HydrophobicContact CG-CB 4.43Å; L65-E70 HydrophobicContact CB-CG 4Å; L65-E70 HydrophobicContact CD1-CG 4.11Å; L65-L73 HydrophobicContact CD1-CD2 3.56Å; L65-D94 HydrophobicContact CD2-CB 4.32Å; L65-D94 VanDerWaalsContact CD2-OD2 3.29Å; L65-D94 WeakPolarHBondContact CD2-OD2 3.26Å; L65-I103 HydrophobicContact CD2-CD1 4.42Å
66A94.2Very high92.3Very high1 Ų121.7 Ų21.71%0.00814%0.144CC..  trans-85.3171.9166.100000111.9T59 I60 L68 H69 E70 Q92T59-A66 WeakPolarHBondContact O-CA 3.33Å; I60-A66 HydrophobicContact CD1-CB 3.94Å; A66-L68 VanDerWaalsContact C-N 3.32Å; A66-L68 PolarHBondContact O-N 3.05Å; A66-H69 WeakPolarHBondContact CB-ND1 3.44Å; A66-H69 PolarHBondContact N-ND1 3.21Å; A66-H69 WeakPolarHBondContact O-CB 3.29Å; A66-H69 PolarHBondContact O-N 3.45Å; A66-E70 PolarHBondContact O-N 3Å; A66-E70 VanDerWaalsContact O-N 3.1Å; A66-Q92 HydrophobicContact CB-CG 3.97Å
67A95.9Very high92.5Very high0 Ų020.6 Ų20.60%013%0.133CC..Hα-helixtrans-56-44.2178.600000112.8F34 I38 L57 H69 E70 A71 L83F34-A67 HydrophobicContact CE1-CB 3.81Å; F34-A67 HydrophobicContact CZ-CB 4.37Å; I38-A67 HydrophobicContact CD1-CB 3.89Å; L57-A67 HydrophobicContact CD2-CB 4.1Å; A67-H69 PolarHBondContact O-N 2.92Å; A67-E70 PolarHBondContact O-N 2.9Å; A67-A71 PolarHBondContact O-N 3.23Å; A67-A71 VanDerWaalsContact O-N 3.09Å; A67-L83 HydrophobicContact CB-CD1 4.18Å; A67-L83 WeakPolarHBondContact O-CD1 3.49Å
68L98.1Very high92.7Very high2 Ų224 Ų241%0.0115%0.148CC..Hα-helixtrans-65.4-39.9-179.8-172.557.6000112A66 E70 A71 V72 V80 L83 V84 A88 D89 I90 P100A66-L68 VanDerWaalsContact C-N 3.32Å; A66-L68 PolarHBondContact O-N 3.05Å; L68-E70 PolarHBondContact O-N 3.5Å; L68-A71 PolarHBondContact O-N 2.86Å; L68-V72 WeakPolarHBondContact O-CG2 3.42Å; L68-V72 PolarHBondContact O-N 2.81Å; L68-V80 HydrophobicContact CD1-CB 4.47Å; L68-V80 HydrophobicContact CD1-CG1 3.94Å; L68-L83 HydrophobicContact CD1-CB 4.15Å; L68-L83 HydrophobicContact CD1-CD1 4.45Å; L68-V84 HydrophobicContact CD1-CG2 4.06Å; L68-V84 HydrophobicContact CD2-CG2 4.26Å; L68-A88 HydrophobicContact CB-CB 4.17Å; L68-A88 HydrophobicContact CD2-CB 4.12Å; L68-D89 WeakPolarHBondContact CD2-O 3.31Å; L68-I90 HydrophobicContact CD2-CG2 4.46Å; L68-P100 HydrophobicContact CB-CG 4.39Å; L68-P100 HydrophobicContact CD2-CB 4.18Å; L68-P100 HydrophobicContact CD2-CG 3.58Å; L68-P100 HydrophobicContact CG-CB 4.15Å; L68-P100 HydrophobicContact CG-CG 3.78Å
69H97.6Very high93Very high0 Ų021.4 Ų21.40%013%0.127CC..Hα-helixtrans-59-46.4174-64.2104.2000111.7L65 A66 A67 A71 V72 L73 Q92 W98 P100 I103L65-H69 HydrophobicContact CB-CB 3.96Å; L65-H69 HydrophobicContact CD2-CB 4.01Å; L65-H69 HydrophobicContact CG-CB 4.43Å; A66-H69 WeakPolarHBondContact CB-ND1 3.44Å; A66-H69 PolarHBondContact N-ND1 3.21Å; A66-H69 WeakPolarHBondContact O-CB 3.29Å; A66-H69 PolarHBondContact O-N 3.45Å; A67-H69 PolarHBondContact O-N 2.92Å; H69-A71 VanDerWaalsContact C-N 3.3Å; H69-A71 PolarHBondContact O-N 3.26Å; H69-V72 PolarHBondContact O-N 3.41Å; H69-L73 VanDerWaalsContact O-CB 3.23Å; H69-L73 WeakPolarHBondContact O-CB 3.42Å; H69-L73 PolarHBondContact O-N 3.17Å; H69-Q92 PolarHBondContact CE1-O 3.47Å; H69-Q92 PolarHBondContact NE2-O 3.39Å; H69-Q92 VanDerWaalsContact NE2-O 3.12Å; H69-W98 PolarHBondContact NE2-O 2.96Å; H69-P100 WeakPolarHBondContact NE2-CD 3.37Å; H69-I103 HydrophobicContact CB-CD1 3.72Å
70E95.6Very high93.4Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-63-35.1178.4-72.9-88.1-163.100112.4R17 L35 I38 R39 S63 L65 A66 A67 L68 L73 S74R17-E70 WeakPolarHBondContact CD-OE1 3.4Å; R17-E70 WeakPolarHBondContact CD-OE2 3.44Å; R17-E70 IonicContact CZ-OE2 3.49Å; R17-E70 IonicContact NE-OE2 3.76Å; R17-E70 IonicContact NH1-OE2 3.53Å; R17-E70 PolarHBondContact NH1-OE2 3.17Å; L35-E70 HydrophobicContact CD2-CB 4.2Å; L35-E70 HydrophobicContact CD2-CG 3.96Å; I38-E70 HydrophobicContact CG2-CB 4.14Å; R39-E70 IonicContact CZ-OE1 3.12Å; R39-E70 IonicContact CZ-OE2 2.92Å; R39-E70 IonicContact NE-OE1 3.51Å; R39-E70 IonicContact NE-OE2 2.74Å; R39-E70 PolarHBondContact NE-OE2 2.95Å; R39-E70 IonicContact NH2-OE1 3.94Å; R39-E70 PolarHBondContact NH2-OE1 3.47Å; R39-E70 IonicContact NH2-OE2 3.86Å; S63-E70 PolarHBondContact OG-OE1 3.16Å; S63-E70 VanDerWaalsContact OG-OE1 3.11Å; L65-E70 HydrophobicContact CB-CG 4Å; L65-E70 HydrophobicContact CD1-CG 4.11Å; A66-E70 PolarHBondContact O-N 3Å; A66-E70 VanDerWaalsContact O-N 3.1Å; A67-E70 PolarHBondContact O-N 2.9Å; L68-E70 PolarHBondContact O-N 3.5Å; E70-L73 PolarHBondContact O-N 2.87Å; E70-S74 PolarHBondContact O-N 3.33Å; E70-S74 VanDerWaalsContact O-N 3.1Å
71A97.9Very high93.9Very high0 Ų019.8 Ų19.80%011%0.114CC..Hα-helixtrans-69.6-39175.300000112.9I38 A67 L68 H69 S74 N76 C79 V80 L83I38-A71 HydrophobicContact CG2-CB 3.76Å; A67-A71 PolarHBondContact O-N 3.23Å; A67-A71 VanDerWaalsContact O-N 3.09Å; L68-A71 PolarHBondContact O-N 2.86Å; H69-A71 VanDerWaalsContact C-N 3.3Å; H69-A71 PolarHBondContact O-N 3.26Å; A71-S74 PolarHBondContact O-OG 2.87Å; A71-N76 PolarHBondContact O-N 2.71Å; A71-C79 HydrophobicContact CB-CB 4.22Å; A71-V80 HydrophobicContact CB-CG2 3.94Å; A71-L83 HydrophobicContact CB-CD1 3.6Å
72V98.4Very high94.6Very high0 Ų019.8 Ų19.80%011%0.114CC..Hα-helixtrans-66.7-43.3172.5177.80000110.3L68 H69 S74 G75 V80 P100 I103 A104 Y109 I112 L116L68-V72 WeakPolarHBondContact O-CG2 3.42Å; L68-V72 PolarHBondContact O-N 2.81Å; H69-V72 PolarHBondContact O-N 3.41Å; V72-S74 PolarHBondContact O-N 3.4Å; V72-G75 PolarHBondContact O-N 2.77Å; V72-V80 HydrophobicContact CG2-CG2 3.77Å; V72-P100 HydrophobicContact CG2-CB 4Å; V72-I103 HydrophobicContact CB-CB 4.41Å; V72-I103 HydrophobicContact CB-CG2 4.32Å; V72-I103 HydrophobicContact CG1-CB 3.8Å; V72-I103 HydrophobicContact CG1-CG2 3.76Å; V72-A104 HydrophobicContact CG1-CB 3.85Å; V72-Y109 HydrophobicContact CG1-CD2 4.42Å; V72-Y109 WeakPolarHBondContact O-CD2 3.31Å; V72-Y109 WeakPolarHBondContact O-CE2 3.44Å; V72-I112 HydrophobicContact CB-CG2 4.49Å; V72-I112 HydrophobicContact CG1-CG2 4.03Å; V72-I112 HydrophobicContact CG2-CG2 3.9Å; V72-L116 HydrophobicContact CG2-CD1 4.46Å
73L96.5Very high95.5Very high1 Ų115.7 Ų15.71%0.0059%0.088CC..Hα-helixtrans-61.7-26-179.6-15966.2000113.3P13 R14 R17 L65 H69 E70 I103 D107P13-L73 HydrophobicContact CB-CD1 4.03Å; R14-L73 HydrophobicContact CB-CD1 4.3Å; R14-L73 HydrophobicContact CG-CD1 3.24Å; R14-L73 HydrophobicContact CG-CD2 4.34Å; R14-L73 HydrophobicContact CG-CG 3.87Å; R14-L73 PolarHBondContact NH2-O 3.12Å; R17-L73 HydrophobicContact CB-CD2 4.42Å; L65-L73 HydrophobicContact CD1-CD2 3.56Å; H69-L73 VanDerWaalsContact O-CB 3.23Å; H69-L73 WeakPolarHBondContact O-CB 3.42Å; H69-L73 PolarHBondContact O-N 3.17Å; E70-L73 PolarHBondContact O-N 2.87Å; L73-I103 HydrophobicContact CB-CG2 4.38Å; L73-I103 HydrophobicContact CD1-CG2 3.65Å; L73-D107 VanDerWaalsContact CD1-OD2 3.29Å; L73-D107 WeakPolarHBondContact CD1-OD2 3.37Å
74S95.1Very high96.6Very high39 Ų3916.9 Ų16.927%0.2739%0.094SC..THydrogen-bonded Turntrans-84.5-8.7173.971.50000113.6E70 A71 V72 N76E70-S74 PolarHBondContact O-N 3.33Å; E70-S74 VanDerWaalsContact O-N 3.1Å; A71-S74 PolarHBondContact O-OG 2.87Å; V72-S74 PolarHBondContact O-N 3.4Å; S74-N76 PolarHBondContact O-N 3.49Å
75G97Very high97.2Very high29 Ų2924.5 Ų24.530%0.29913%0.128SC..THydrogen-bonded Turntrans71.713-17800000114V72 L77 Y109V72-G75 PolarHBondContact O-N 2.77Å; G75-L77 PolarHBondContact O-N 2.61Å; G75-Y109 VanDerWaalsContact CA-CZ 3.45Å
76N96.5Very high97.5Very high45 Ų4527.9 Ų27.924%0.24114%0.141CC..  trans-93.192.5-175.8-169.8-33.3000111.6G41 A71 S74 E78 C79 V80G41-N76 WeakPolarHBondContact CA-ND2 3.42Å; A71-N76 PolarHBondContact O-N 2.71Å; S74-N76 PolarHBondContact O-N 3.49Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 3.17Å; N76-E78 PolarHBondContact OD1-N 3.31Å; N76-E78 VanDerWaalsContact OD1-N 3.16Å; N76-C79 HydrophobicContact CB-CB 3.94Å; N76-C79 WeakPolarHBondContact O-CB 3.37Å; N76-C79 PolarHBondContact O-N 3.42Å; N76-C79 VanDerWaalsContact O-N 3.09Å; N76-C79 PolarHBondContact OD1-N 3.37Å; N76-V80 WeakPolarHBondContact O-CG2 3.29Å; N76-V80 PolarHBondContact O-N 3.41Å
77L98.4Very high97.6Very high39 Ų3930.8 Ų30.820%0.20417%0.171CC..Hα-helixtrans-56.1-37.6179.3177.162.4000113.3G75 C79 V80 K81 D111 I112 Y115G75-L77 PolarHBondContact O-N 2.61Å; L77-C79 VanDerWaalsContact C-N 3.32Å; L77-C79 PolarHBondContact O-N 3.36Å; L77-V80 WeakPolarHBondContact O-CB 3.37Å; L77-V80 PolarHBondContact O-N 2.95Å; L77-K81 HydrophobicContact CD1-CG 4.29Å; L77-K81 HydrophobicContact CG-CD 4.24Å; L77-K81 HydrophobicContact CG-CG 4.44Å; L77-K81 WeakPolarHBondContact O-CG 3.37Å; L77-K81 PolarHBondContact O-N 2.92Å; L77-D111 HydrophobicContact CD2-CB 4.15Å; L77-I112 HydrophobicContact CB-CG1 4.08Å; L77-I112 HydrophobicContact CD1-CG1 4Å; L77-Y115 HydrophobicContact CD1-CD1 4.04Å; L77-Y115 HydrophobicContact CD1-CG 4.04Å
78E98.4Very high97.7Very high96 Ų9631.1 Ų31.145%0.44917%0.174SC..Hα-helixtrans-69.5-33-179.7-65.1-54.7126.300111.8L43 N76 K81 L82L43-E78 HydrophobicContact CD1-CB 3.92Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 3.17Å; N76-E78 PolarHBondContact OD1-N 3.31Å; N76-E78 VanDerWaalsContact OD1-N 3.16Å; E78-K81 IonicContact OE1-NZ 3.63Å; E78-K81 PolarHBondContact OE1-NZ 3.47Å; E78-L82 VanDerWaalsContact O-CB 3.24Å; E78-L82 WeakPolarHBondContact O-CB 3.48Å; E78-L82 PolarHBondContact O-N 3.45Å
79C98.5Very high97.8Very high0 Ų034.9 Ų34.90%019%0.194CC..Hα-helixtrans-68.5-41.1170.9-160.40000111.5L43 A71 N76 L77 L82 L83L43-C79 HydrophobicContact CD2-CB 3.81Å; A71-C79 HydrophobicContact CB-CB 4.22Å; N76-C79 HydrophobicContact CB-CB 3.94Å; N76-C79 WeakPolarHBondContact O-CB 3.37Å; N76-C79 PolarHBondContact O-N 3.42Å; N76-C79 VanDerWaalsContact O-N 3.09Å; N76-C79 PolarHBondContact OD1-N 3.37Å; L77-C79 VanDerWaalsContact C-N 3.32Å; L77-C79 PolarHBondContact O-N 3.36Å; C79-L82 WeakPolarHBondContact O-CB 3.45Å; C79-L82 PolarHBondContact O-N 3.5Å; C79-L83 WeakPolarHBondContact O-CG 3.06Å; C79-L83 PolarHBondContact O-N 3.21Å
80V98.8Very high97.8Very high0 Ų035.8 Ų35.80%020%0.199CC..Hα-helixtrans-58.1-53.2173.9173.90000110.7L68 A71 V72 N76 L77 L82 L83 V84 I112 Y115 L116L68-V80 HydrophobicContact CD1-CB 4.47Å; L68-V80 HydrophobicContact CD1-CG1 3.94Å; A71-V80 HydrophobicContact CB-CG2 3.94Å; V72-V80 HydrophobicContact CG2-CG2 3.77Å; N76-V80 WeakPolarHBondContact O-CG2 3.29Å; N76-V80 PolarHBondContact O-N 3.41Å; L77-V80 WeakPolarHBondContact O-CB 3.37Å; L77-V80 PolarHBondContact O-N 2.95Å; V80-L82 PolarHBondContact O-N 3.35Å; V80-L83 PolarHBondContact O-N 3.48Å; V80-V84 WeakPolarHBondContact O-CG2 3.3Å; V80-V84 PolarHBondContact O-N 3.27Å; V80-I112 HydrophobicContact CG1-CG2 4.3Å; V80-I112 HydrophobicContact CG2-CD1 4.28Å; V80-I112 HydrophobicContact CG2-CG2 4.23Å; V80-Y115 HydrophobicContact CG1-CD1 3.93Å; V80-Y115 HydrophobicContact CG1-CE1 4.01Å; V80-L116 HydrophobicContact CG1-CD2 4.34Å
81K98.8Very high97.9Very high71 Ų7139.8 Ų39.831%0.30922%0.217SC..Hα-helixtrans-55.6-40.8176.1-73.4172.2-179.2167.60111.9L77 E78 K85 Y115L77-K81 HydrophobicContact CD1-CG 4.29Å; L77-K81 HydrophobicContact CG-CD 4.24Å; L77-K81 HydrophobicContact CG-CG 4.44Å; L77-K81 WeakPolarHBondContact O-CG 3.37Å; L77-K81 PolarHBondContact O-N 2.92Å; E78-K81 IonicContact OE1-NZ 3.63Å; E78-K81 PolarHBondContact OE1-NZ 3.47Å; K81-K85 VanDerWaalsContact O-CB 3.27Å; K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 3.25Å; K81-Y115 HydrophobicContact CB-CE1 4.3Å; K81-Y115 HydrophobicContact CG-CD1 4.14Å; K81-Y115 HydrophobicContact CG-CD2 4.34Å; K81-Y115 HydrophobicContact CG-CE1 3.68Å; K81-Y115 HydrophobicContact CG-CE2 3.91Å; K81-Y115 HydrophobicContact CG-CG 4.44Å
82L98.6Very high97.9Very high4 Ų441.9 Ų41.92%0.02123%0.227CC..Hα-helixtrans-62.2-51.6178.2-179.663.5000111.7L43 V46 R47 E78 C79 V80 K85 Y86L43-L82 HydrophobicContact CB-CD2 4.1Å; L43-L82 HydrophobicContact CD2-CD2 3.95Å; V46-L82 HydrophobicContact CB-CD2 4.03Å; V46-L82 HydrophobicContact CG1-CD2 3.64Å; V46-L82 HydrophobicContact CG1-CG 4.48Å; R47-L82 HydrophobicContact CG-CD1 3.76Å; R47-L82 HydrophobicContact CG-CD2 3.88Å; R47-L82 HydrophobicContact CG-CG 4.35Å; E78-L82 VanDerWaalsContact O-CB 3.24Å; E78-L82 WeakPolarHBondContact O-CB 3.48Å; E78-L82 PolarHBondContact O-N 3.45Å; C79-L82 WeakPolarHBondContact O-CB 3.45Å; C79-L82 PolarHBondContact O-N 3.5Å; V80-L82 PolarHBondContact O-N 3.35Å; L82-K85 WeakPolarHBondContact O-CB 3.24Å; L82-K85 PolarHBondContact O-N 3.47Å; L82-Y86 HydrophobicContact CD1-CD2 3.85Å; L82-Y86 HydrophobicContact CD1-CE2 3.56Å; L82-Y86 HydrophobicContact CG-CD2 4.26Å; L82-Y86 HydrophobicContact CG-CE2 4.35Å; L82-Y86 VanDerWaalsContact O-CD2 3.3Å; L82-Y86 WeakPolarHBondContact O-CD2 3.33Å; L82-Y86 PolarHBondContact O-N 2.85Å
83L98.5Very high97.7Very high0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-63.1-43.1-178.5-67.4179.1000111.5F34 I38 V46 I50 L57 A67 L68 A71 C79 V80 K85 Y86 G87 A88F34-L83 HydrophobicContact CZ-CD2 4.15Å; I38-L83 HydrophobicContact CD1-CD1 4.11Å; I38-L83 HydrophobicContact CD1-CD2 4.44Å; V46-L83 HydrophobicContact CG1-CD2 3.91Å; I50-L83 HydrophobicContact CD1-CD2 3.76Å; L57-L83 HydrophobicContact CD2-CD2 3.89Å; A67-L83 HydrophobicContact CB-CD1 4.18Å; A67-L83 WeakPolarHBondContact O-CD1 3.49Å; L68-L83 HydrophobicContact CD1-CB 4.15Å; L68-L83 HydrophobicContact CD1-CD1 4.45Å; A71-L83 HydrophobicContact CB-CD1 3.6Å; C79-L83 WeakPolarHBondContact O-CG 3.06Å; C79-L83 PolarHBondContact O-N 3.21Å; V80-L83 PolarHBondContact O-N 3.48Å; L83-K85 VanDerWaalsContact C-N 3.35Å; L83-K85 PolarHBondContact O-N 3.33Å; L83-Y86 CarbonylContact O-C 3.49Å; L83-Y86 PolarHBondContact O-N 3Å; L83-Y86 VanDerWaalsContact O-N 3.1Å; L83-G87 PolarHBondContact O-N 3.47Å; L83-A88 HydrophobicContact CB-CB 3.97Å; L83-A88 VanDerWaalsContact O-CB 3.29Å; L83-A88 WeakPolarHBondContact O-CB 3.26Å; L83-A88 PolarHBondContact O-N 3.28Å
84V98.6Very high97.6Very high27 Ų2747.2 Ų47.216%0.16425%0.248CC..Hα-helixtrans-60.6-43.7174.6172.30000111.3L68 V80 Y86 G87 I90 Y115 L119L68-V84 HydrophobicContact CD1-CG2 4.06Å; L68-V84 HydrophobicContact CD2-CG2 4.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.3Å; V80-V84 PolarHBondContact O-N 3.27Å; V84-Y86 PolarHBondContact O-N 3.31Å; V84-Y86 VanDerWaalsContact O-N 3.16Å; V84-G87 PolarHBondContact O-N 3.22Å; V84-I90 HydrophobicContact CG1-CG2 4.26Å; V84-I90 HydrophobicContact CG2-CG2 3.83Å; V84-Y115 HydrophobicContact CB-CE1 4.49Å; V84-Y115 HydrophobicContact CG2-CE1 4.27Å; V84-L119 HydrophobicContact CG1-CD1 3.7Å; V84-L119 HydrophobicContact CG2-CD1 4.48Å
85K98.4Very high97.2Very high161 Ų16149 Ų4970%0.725%0.252SS*.Hα-helixtrans-58.1-29.6175.7178.1174.9-178.8168.40112.9K81 L82 L83 G87K81-K85 VanDerWaalsContact O-CB 3.27Å; K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 3.25Å; L82-K85 WeakPolarHBondContact O-CB 3.24Å; L82-K85 PolarHBondContact O-N 3.47Å; L83-K85 VanDerWaalsContact C-N 3.35Å; L83-K85 PolarHBondContact O-N 3.33Å; K85-G87 VanDerWaalsContact C-N 3.33Å
86Y97.9Very high96.9Very high70 Ų7047.7 Ų47.728%0.27524%0.238SC..THydrogen-bonded Turntrans-91.511175.5-79.7-77.2000113.8R47 I50 R51 L82 L83 V84R47-Y86 HydrophobicContact CG-CE2 4.09Å; I50-Y86 HydrophobicContact CD1-CD2 4.19Å; I50-Y86 HydrophobicContact CD1-CG 4.31Å; I50-Y86 HydrophobicContact CG2-CD1 3.64Å; I50-Y86 HydrophobicContact CG2-CD2 4.5Å; I50-Y86 HydrophobicContact CG2-CE1 4.25Å; I50-Y86 HydrophobicContact CG2-CG 3.79Å; R51-Y86 HydrophobicContact CG-CE1 4.31Å; R51-Y86 PolarHBondContact NE-OH 3.1Å; R51-Y86 PolarHBondContact NH2-OH 3.05Å; L82-Y86 HydrophobicContact CD1-CD2 3.85Å; L82-Y86 HydrophobicContact CD1-CE2 3.56Å; L82-Y86 HydrophobicContact CG-CD2 4.26Å; L82-Y86 HydrophobicContact CG-CE2 4.35Å; L82-Y86 VanDerWaalsContact O-CD2 3.3Å; L82-Y86 WeakPolarHBondContact O-CD2 3.33Å; L82-Y86 PolarHBondContact O-N 2.85Å; L83-Y86 CarbonylContact O-C 3.49Å; L83-Y86 PolarHBondContact O-N 3Å; L83-Y86 VanDerWaalsContact O-N 3.1Å; V84-Y86 PolarHBondContact O-N 3.31Å; V84-Y86 VanDerWaalsContact O-N 3.16Å
87G97.1Very high96.7Very high62 Ų6245.6 Ų45.664%0.63923%0.227SC*.THydrogen-bonded Turntrans88.821.9172.900000114.8L83 V84 K85 D89L83-G87 PolarHBondContact O-N 3.47Å; V84-G87 PolarHBondContact O-N 3.22Å; K85-G87 VanDerWaalsContact C-N 3.33Å; G87-D89 PolarHBondContact O-N 3.02Å
88A97.9Very high96.7Very high7 Ų744.3 Ų44.36%0.05822%0.219CC..  trans-61.4130.4165.600000109.9L57 L68 L83 I90L57-A88 HydrophobicContact CB-CB 4.32Å; L57-A88 HydrophobicContact CD1-CB 4.05Å; L68-A88 HydrophobicContact CB-CB 4.17Å; L68-A88 HydrophobicContact CD2-CB 4.12Å; L83-A88 HydrophobicContact CB-CB 3.97Å; L83-A88 VanDerWaalsContact O-CB 3.29Å; L83-A88 WeakPolarHBondContact O-CB 3.26Å; L83-A88 PolarHBondContact O-N 3.28Å; A88-I90 PolarHBondContact O-N 2.94Å
89D98.3Very high96.7Very high81 Ų8140.1 Ų40.143%0.43320%0.2SC..  trans-71.9119.9178.417713.9000110.7L68 G87 H91 Q92L68-D89 WeakPolarHBondContact CD2-O 3.31Å; G87-D89 PolarHBondContact O-N 3.02Å; D89-H91 PolarHBondContact O-N 3.23Å; D89-H91 IonicContact OD1-CD2 3.83Å; D89-H91 PolarHBondContact OD1-N 2.97Å; D89-Q92 HydrophobicContact CB-CB 4.14Å; D89-Q92 VanDerWaalsContact O-CB 3.3Å; D89-Q92 WeakPolarHBondContact O-CB 2.9Å; D89-Q92 PolarHBondContact O-N 3.26Å; D89-Q92 PolarHBondContact OD2-N 3.24Å
90I98.5Very high96.7Very high20 Ų2040.1 Ų40.110%0.10320%0.2CC..THydrogen-bonded Turntrans-69.8-17.3178.865.9174.9000112.9L68 V84 A88 P100 L116 L119 A121L68-I90 HydrophobicContact CD2-CG2 4.46Å; V84-I90 HydrophobicContact CG1-CG2 4.26Å; V84-I90 HydrophobicContact CG2-CG2 3.83Å; A88-I90 PolarHBondContact O-N 2.94Å; I90-P100 WeakPolarHBondContact O-CD 2.83Å; I90-L116 HydrophobicContact CB-CD2 4.41Å; I90-L116 HydrophobicContact CG2-CD2 4.23Å; I90-L119 HydrophobicContact CD1-CB 3.87Å; I90-L119 WeakPolarHBondContact CD1-O 3.5Å; I90-L119 HydrophobicContact CG2-CD1 4.27Å; I90-A121 HydrophobicContact CD1-CB 4.39Å
91H98.3Very high96.7Very high83 Ų8340.1 Ų40.138%0.38420%0.2SC..THydrogen-bonded Turntrans-102.33.6176.8-56.1-77.9000112.8D89 R93 G120 D122D89-H91 PolarHBondContact O-N 3.23Å; D89-H91 IonicContact OD1-CD2 3.83Å; D89-H91 PolarHBondContact OD1-N 2.97Å; H91-R93 PolarHBondContact O-N 2.87Å; H91-R93 VanDerWaalsContact O-N 3.09Å; H91-G120 PolarHBondContact CE1-O 3.47Å; H91-D122 PolarHBondContact CE1-N 3.16Å
92Q97.1Very high96.6Very high44 Ų4436.7 Ų36.721%0.20619%0.185CC..  trans-51.9122.7178.9178.96558.700109.2A66 H69 D89 P100A66-Q92 HydrophobicContact CB-CG 3.97Å; H69-Q92 PolarHBondContact CE1-O 3.47Å; H69-Q92 PolarHBondContact NE2-O 3.39Å; H69-Q92 VanDerWaalsContact NE2-O 3.12Å; D89-Q92 HydrophobicContact CB-CB 4.14Å; D89-Q92 VanDerWaalsContact O-CB 3.3Å; D89-Q92 WeakPolarHBondContact O-CB 2.9Å; D89-Q92 PolarHBondContact O-N 3.26Å; D89-Q92 PolarHBondContact OD2-N 3.24Å; Q92-P100 WeakPolarHBondContact O-CD 3Å
93R95.4Very high96.6Very high104 Ų10436.6 Ų36.639%0.39219%0.185SC..  trans-85.8137.2172.1-68.1176.774.5106.1-0.5109.7H91 W98 T99 A126 D128H91-R93 PolarHBondContact O-N 2.87Å; H91-R93 VanDerWaalsContact O-N 3.09Å; R93-W98 CarbonylContact C-O 3.6Å; R93-W98 WeakPolarHBondContact CA-O 3.38Å; R93-T99 HydrophobicContact CG-CG2 4.33Å; R93-A126 VanDerWaalsContact CZ-O 3.31Å; R93-A126 PolarHBondContact NH1-O 2.88Å; R93-A126 PolarHBondContact NH2-O 2.99Å; R93-D128 IonicContact CZ-OD1 3.61Å; R93-D128 IonicContact NH2-OD1 2.86Å; R93-D128 PolarHBondContact NH2-OD1 3.49Å
94D92.6Very high96.6Very high10 Ų1036.6 Ų36.65%0.05319%0.185CC..  trans-82.2-175.2168.286.62.6000111.5R16 G64 L65 A96 G97 W98R16-D94 IonicContact CZ-OD2 3.84Å; R16-D94 VanDerWaalsContact NH2-CG 3.29Å; R16-D94 IonicContact NH2-OD1 3.94Å; R16-D94 PolarHBondContact NH2-OD1 3.09Å; R16-D94 IonicContact NH2-OD2 3.68Å; R16-D94 PolarHBondContact NH2-OD2 3.11Å; G64-D94 WeakPolarHBondContact O-CB 3.5Å; L65-D94 HydrophobicContact CD2-CB 4.32Å; L65-D94 VanDerWaalsContact CD2-OD2 3.29Å; L65-D94 WeakPolarHBondContact CD2-OD2 3.26Å; D94-A96 PolarHBondContact O-N 2.92Å; D94-A96 PolarHBondContact OD1-N 2.89Å; D94-G97 PolarHBondContact O-N 3.15Å; D94-G97 PolarHBondContact OD1-N 3.24Å; D94-W98 PolarHBondContact N-O 2.83Å; D94-W98 WeakPolarHBondContact OD1-CB 3.45Å; D94-W98 PolarHBondContact OD1-N 3.16Å
95E87.7Confident96.6Very high77 Ų7735.3 Ų35.336%0.3618%0.177SC..THydrogen-bonded Turntrans-67.3-13.4-175.7-65.2-174.7124.900115.6T5 I60 G64T5-E95 VanDerWaalsContact CB-OE1 3.31Å; T5-E95 WeakPolarHBondContact CB-OE1 3.41Å; T5-E95 WeakPolarHBondContact CB-OE2 3.47Å; T5-E95 VanDerWaalsContact CG2-CD 3.43Å; T5-E95 VanDerWaalsContact CG2-OE1 3.26Å; T5-E95 WeakPolarHBondContact CG2-OE1 3.42Å; T5-E95 WeakPolarHBondContact CG2-OE2 3.29Å; T5-E95 PolarHBondContact OG1-OE1 2.94Å; T5-E95 PolarHBondContact OG1-OE2 3.29Å; I60-E95 HydrophobicContact CG2-CG 3.49Å; I60-E95 VanDerWaalsContact CG2-CG 3.49Å; G64-E95 WeakPolarHBondContact CA-OE2 3.42Å; G64-E95 PolarHBondContact O-N 3.13Å
96A89.8Confident96.5Very high1 Ų129.1 Ų29.11%0.00815%0.154CC..THydrogen-bonded Turntrans-108.514.7173.800000111.4R16 D94 W98 D128R16-A96 VanDerWaalsContact NH1-CB 3.28Å; D94-A96 PolarHBondContact O-N 2.92Å; D94-A96 PolarHBondContact OD1-N 2.89Å; A96-W98 PolarHBondContact O-N 3.45Å; A96-D128 WeakPolarHBondContact CA-OD2 3.47Å; A96-D128 VanDerWaalsContact O-CB 3.3Å; A96-D128 WeakPolarHBondContact O-CB 3.27Å; A96-D128 VanDerWaalsContact O-CG 3.23Å; A96-D128 PolarHBondContact O-N 3.25Å
97G94.1Very high96.5Very high1 Ų127.1 Ų27.11%0.0115%0.148CC..SBendtrans77.45.7179.800000114.7D94 D128D94-G97 PolarHBondContact O-N 3.15Å; D94-G97 PolarHBondContact OD1-N 3.24Å; G97-D128 WeakPolarHBondContact CA-OD1 3.43Å; G97-D128 PolarHBondContact N-OD2 2.93Å
98W96.8Very high96.5Very high12 Ų1225 Ų255%0.04513%0.126CC..  trans-72.1137.4179.6-70.849.8000109.4P13 H69 R93 D94 A96 H102 I103 N127 L136P13-W98 VanDerWaalsContact CD-CZ3 3.46Å; P13-W98 HydrophobicContact CG-CD2 3.67Å; P13-W98 HydrophobicContact CG-CE3 3.33Å; P13-W98 HydrophobicContact CG-CG 4.23Å; P13-W98 HydrophobicContact CG-CH2 4.4Å; P13-W98 HydrophobicContact CG-CZ3 3.74Å; H69-W98 PolarHBondContact NE2-O 2.96Å; R93-W98 CarbonylContact C-O 3.6Å; R93-W98 WeakPolarHBondContact CA-O 3.38Å; D94-W98 PolarHBondContact N-O 2.83Å; D94-W98 WeakPolarHBondContact OD1-CB 3.45Å; D94-W98 PolarHBondContact OD1-N 3.16Å; A96-W98 PolarHBondContact O-N 3.45Å; W98-H102 HydrophobicContact CB-CB 4.19Å; W98-H102 HydrophobicContact CD2-CB 3.97Å; W98-H102 HydrophobicContact CE3-CB 3.44Å; W98-H102 VanDerWaalsContact CE3-CB 3.44Å; W98-H102 HydrophobicContact CG-CB 4.33Å; W98-H102 HydrophobicContact CZ3-CB 4.07Å; W98-I103 HydrophobicContact CE3-CG1 4.18Å; W98-N127 HydrophobicContact CG-CB 4.33Å; W98-N127 PolarHBondContact NE1-ND2 3.47Å; W98-N127 VanDerWaalsContact NE1-ND2 3.17Å; W98-L136 HydrophobicContact CE3-CD1 4.17Å; W98-L136 HydrophobicContact CH2-CD1 3.48Å; W98-L136 VanDerWaalsContact CH2-CD1 3.48Å; W98-L136 HydrophobicContact CH2-CD2 3.96Å; W98-L136 HydrophobicContact CH2-CG 4.3Å; W98-L136 HydrophobicContact CZ2-CD1 3.97Å; W98-L136 HydrophobicContact CZ2-CD2 4.22Å; W98-L136 HydrophobicContact CZ3-CD1 3.6Å
99T98.3Very high96.5Very high7 Ų727.3 Ų27.34%0.04313%0.134CC..  trans-94.2165.2168.8720000110R93 L101 H102 I103 A125R93-T99 HydrophobicContact CG-CG2 4.33Å; T99-L101 PolarHBondContact O-N 2.75Å; T99-L101 VanDerWaalsContact O-N 3.13Å; T99-L101 PolarHBondContact OG1-N 2.9Å; T99-H102 PolarHBondContact N-ND1 2.88Å; T99-H102 WeakPolarHBondContact O-CB 3.39Å; T99-H102 PolarHBondContact O-N 3.4Å; T99-H102 PolarHBondContact OG1-ND1 3.04Å; T99-I103 PolarHBondContact O-N 2.95Å; T99-A125 HydrophobicContact CG2-CB 4.18Å
100P98.6Very high96.5Very high0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-51.6-34.1171.5-28.235000113.6L68 H69 V72 I90 Q92 I103 A104 L116L68-P100 HydrophobicContact CB-CG 4.39Å; L68-P100 HydrophobicContact CD2-CB 4.18Å; L68-P100 HydrophobicContact CD2-CG 3.58Å; L68-P100 HydrophobicContact CG-CB 4.15Å; L68-P100 HydrophobicContact CG-CG 3.78Å; H69-P100 WeakPolarHBondContact NE2-CD 3.37Å; V72-P100 HydrophobicContact CG2-CB 4Å; I90-P100 WeakPolarHBondContact O-CD 2.83Å; Q92-P100 WeakPolarHBondContact O-CD 3Å; P100-I103 PolarHBondContact O-N 3.44Å; P100-A104 PolarHBondContact O-N 2.95Å; P100-A104 VanDerWaalsContact O-N 3.08Å; P100-L116 HydrophobicContact CB-CD1 3.83Å; P100-L116 HydrophobicContact CB-CD2 4.38Å
101L98.7Very high96.5Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-68.3-37.6178.3-174.159.9000112.4T99 I103 A104 C105 A113 L116 I117 A121 R123 P133 F148T99-L101 PolarHBondContact O-N 2.75Å; T99-L101 VanDerWaalsContact O-N 3.13Å; T99-L101 PolarHBondContact OG1-N 2.9Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 3.1Å; L101-A104 PolarHBondContact O-N 3.07Å; L101-C105 PolarHBondContact O-N 3.34Å; L101-C105 PolarHBondContact O-SG 3.4Å; L101-A113 HydrophobicContact CD1-CB 3.95Å; L101-L116 HydrophobicContact CB-CD1 4.42Å; L101-L116 HydrophobicContact CD1-CB 4.37Å; L101-I117 HydrophobicContact CD1-CD1 4.2Å; L101-I117 HydrophobicContact CD1-CG1 3.98Å; L101-I117 HydrophobicContact CD2-CG1 4.07Å; L101-A121 HydrophobicContact CB-CB 4.44Å; L101-A121 HydrophobicContact CD2-CB 4.12Å; L101-R123 HydrophobicContact CD2-CG 4.33Å; L101-P133 HydrophobicContact CB-CG 4.46Å; L101-P133 HydrophobicContact CD2-CB 4.19Å; L101-P133 HydrophobicContact CD2-CG 4.08Å; L101-P133 HydrophobicContact CG-CB 3.93Å; L101-P133 HydrophobicContact CG-CG 4.1Å; L101-F148 HydrophobicContact CD2-CZ 4.39Å
102H98.4Very high96.5Very high0 Ų024.2 Ų24.20%012%0.122CC..Hα-helixtrans-58.7-44.7173.7-68.383.5000111.3W98 T99 C105 S106 A125 N127 D131 L136W98-H102 HydrophobicContact CB-CB 4.19Å; W98-H102 HydrophobicContact CD2-CB 3.97Å; W98-H102 HydrophobicContact CE3-CB 3.44Å; W98-H102 VanDerWaalsContact CE3-CB 3.44Å; W98-H102 HydrophobicContact CG-CB 4.33Å; W98-H102 HydrophobicContact CZ3-CB 4.07Å; T99-H102 PolarHBondContact N-ND1 2.88Å; T99-H102 WeakPolarHBondContact O-CB 3.39Å; T99-H102 PolarHBondContact O-N 3.4Å; T99-H102 PolarHBondContact OG1-ND1 3.04Å; H102-C105 PolarHBondContact O-N 3.26Å; H102-S106 VanDerWaalsContact O-CB 3.32Å; H102-S106 WeakPolarHBondContact O-CB 3.23Å; H102-S106 PolarHBondContact O-N 3.41Å; H102-A125 PolarHBondContact CE1-O 3.47Å; H102-A125 PolarHBondContact NE2-O 2.87Å; H102-N127 PolarHBondContact NE2-N 3.35Å; H102-D131 PolarHBondContact NE2-O 3.29Å; H102-L136 HydrophobicContact CB-CD1 3.89Å
103I98Very high96.6Very high1 Ų122.1 Ų22.11%0.00511%0.112CC..Hα-helixtrans-63.1-47178.9-51.4-162.5000110.3P13 L65 H69 V72 L73 W98 T99 P100 L101 C105 S106 D107P13-I103 HydrophobicContact CB-CD1 3.83Å; P13-I103 HydrophobicContact CB-CG1 4.31Å; P13-I103 HydrophobicContact CG-CD1 3.94Å; P13-I103 HydrophobicContact CG-CG1 3.93Å; L65-I103 HydrophobicContact CD2-CD1 4.42Å; H69-I103 HydrophobicContact CB-CD1 3.72Å; V72-I103 HydrophobicContact CB-CB 4.41Å; V72-I103 HydrophobicContact CB-CG2 4.32Å; V72-I103 HydrophobicContact CG1-CB 3.8Å; V72-I103 HydrophobicContact CG1-CG2 3.76Å; L73-I103 HydrophobicContact CB-CG2 4.38Å; L73-I103 HydrophobicContact CD1-CG2 3.65Å; W98-I103 HydrophobicContact CE3-CG1 4.18Å; T99-I103 PolarHBondContact O-N 2.95Å; P100-I103 PolarHBondContact O-N 3.44Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 3.1Å; I103-C105 VanDerWaalsContact C-N 3.25Å; I103-C105 PolarHBondContact O-N 2.82Å; I103-S106 PolarHBondContact O-N 3.3Å; I103-D107 WeakPolarHBondContact O-CB 3.11Å; I103-D107 PolarHBondContact O-N 3.1Å
104A98.5Very high96.7Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-59.2-38.3179.900000112.2V72 P100 L101 G108 Y109 I112 A113 L116V72-A104 HydrophobicContact CG1-CB 3.85Å; P100-A104 PolarHBondContact O-N 2.95Å; P100-A104 VanDerWaalsContact O-N 3.08Å; L101-A104 PolarHBondContact O-N 3.07Å; A104-G108 PolarHBondContact O-N 2.87Å; A104-Y109 PolarHBondContact O-N 2.88Å; A104-I112 HydrophobicContact CB-CB 4.29Å; A104-I112 HydrophobicContact CB-CG2 4.02Å; A104-A113 HydrophobicContact CB-CB 4.09Å; A104-L116 HydrophobicContact CB-CD1 4.46Å
105C98.2Very high97Very high0 Ų023.1 Ų23.10%012%0.115CC..Hα-helixtrans-72.3-47.7178.2-64.60000112.1L101 H102 I103 D107 G108 P133 I137L101-C105 PolarHBondContact O-N 3.34Å; L101-C105 PolarHBondContact O-SG 3.4Å; H102-C105 PolarHBondContact O-N 3.26Å; I103-C105 VanDerWaalsContact C-N 3.25Å; I103-C105 PolarHBondContact O-N 2.82Å; C105-D107 VanDerWaalsContact C-N 3.34Å; C105-D107 PolarHBondContact O-N 3.46Å; C105-G108 PolarHBondContact O-N 3.09Å; C105-P133 HydrophobicContact CB-CB 4.41Å; C105-P133 WeakPolarHBondContact CB-O 3.49Å; C105-I137 HydrophobicContact CB-CD1 4.42Å; C105-I137 HydrophobicContact CB-CG1 3.69Å
106S97.3Very high97.5Very high32 Ų3219.5 Ų19.522%0.22410%0.098CC..Hα-helixtrans-63.7-35.8-179.6-177.80000113.5H102 I103 L136H102-S106 VanDerWaalsContact O-CB 3.32Å; H102-S106 WeakPolarHBondContact O-CB 3.23Å; H102-S106 PolarHBondContact O-N 3.41Å; I103-S106 PolarHBondContact O-N 3.3Å; S106-L136 WeakPolarHBondContact CA-O 3.44Å
107D96.5Very high97.9Very high27 Ų2721 Ų2114%0.14411%0.106CC..THydrogen-bonded Turntrans-98.33.2-175.3-80.7-25.2000114.4R14 L73 I103 C105 Y109R14-D107 WeakPolarHBondContact CD-OD1 3.49Å; R14-D107 WeakPolarHBondContact CD-OD2 3.3Å; R14-D107 IonicContact CZ-OD1 2.75Å; R14-D107 IonicContact CZ-OD2 3.18Å; R14-D107 IonicContact NE-OD1 2.61Å; R14-D107 IonicContact NE-OD2 3.86Å; R14-D107 PolarHBondContact NE-OD2 3.39Å; R14-D107 VanDerWaalsContact NH1-CB 3.34Å; R14-D107 IonicContact NH1-OD1 2.73Å; R14-D107 PolarHBondContact NH1-OD1 2.85Å; R14-D107 IonicContact NH1-OD2 2.92Å; R14-D107 PolarHBondContact NH1-OD2 3.1Å; R14-D107 VanDerWaalsContact NH1-OD2 3.1Å; R14-D107 IonicContact NH2-OD2 2.74Å; R14-D107 PolarHBondContact NH2-OD2 3.19Å; L73-D107 VanDerWaalsContact CD1-OD2 3.29Å; L73-D107 WeakPolarHBondContact CD1-OD2 3.37Å; I103-D107 WeakPolarHBondContact O-CB 3.11Å; I103-D107 PolarHBondContact O-N 3.1Å; C105-D107 VanDerWaalsContact C-N 3.34Å; C105-D107 PolarHBondContact O-N 3.46Å; D107-Y109 HydrophobicContact CB-CD2 3.91Å; D107-Y109 HydrophobicContact CB-CE2 3.65Å
108G97.3Very high98.1Very high18 Ų1825.2 Ų25.219%0.18614%0.135CC..THydrogen-bonded Turntrans79.840.4172.300000114.9A104 C105 P110 F141A104-G108 PolarHBondContact O-N 2.87Å; C105-G108 PolarHBondContact O-N 3.09Å; G108-P110 VanDerWaalsContact C-CD 3.45Å; G108-P110 WeakPolarHBondContact O-CD 3.19Å; G108-F141 VanDerWaalsContact CA-CD2 3.42Å
109Y98.4Very high98.2Very high56 Ų5628.3 Ų28.322%0.2215%0.152CC..  trans-108.976.6-178.3-61.8-43.8000113.6R14 V72 G75 A104 D107 D111 I112 A113R14-Y109 PolarHBondContact NH2-OH 2.86Å; V72-Y109 HydrophobicContact CG1-CD2 4.42Å; V72-Y109 WeakPolarHBondContact O-CD2 3.31Å; V72-Y109 WeakPolarHBondContact O-CE2 3.44Å; G75-Y109 VanDerWaalsContact CA-CZ 3.45Å; A104-Y109 PolarHBondContact O-N 2.88Å; D107-Y109 HydrophobicContact CB-CD2 3.91Å; D107-Y109 HydrophobicContact CB-CE2 3.65Å; Y109-D111 VanDerWaalsContact C-N 3.34Å; Y109-D111 PolarHBondContact O-N 2.67Å; Y109-I112 HydrophobicContact CD2-CD1 4.25Å; Y109-I112 HydrophobicContact CG-CD1 4.13Å; Y109-I112 PolarHBondContact O-N 3.14Å; Y109-A113 WeakPolarHBondContact O-CB 3.43Å; Y109-A113 PolarHBondContact O-N 3.28Å
110P97.9Very high98.2Very high22 Ų2230.3 Ų30.314%0.14318%0.175CC..Hα-helixtrans-61.6-37-175.725.6-35.4000113.6G108 A113 R114 E143 L144G108-P110 VanDerWaalsContact C-CD 3.45Å; G108-P110 WeakPolarHBondContact O-CD 3.19Å; P110-A113 PolarHBondContact O-N 3.29Å; P110-R114 WeakPolarHBondContact O-CB 3.24Å; P110-R114 WeakPolarHBondContact O-CG 3.36Å; P110-R114 PolarHBondContact O-N 3.49Å; P110-E143 HydrophobicContact CB-CB 3.66Å; P110-E143 HydrophobicContact CG-CB 3.96Å; P110-L144 HydrophobicContact CB-CD2 4.19Å; P110-L144 HydrophobicContact CB-CG 4.02Å
111D98.6Very high98.2Very high93 Ų9330.6 Ų30.650%0.49718%0.177SC..Hα-helixtrans-68.4-37178.5-66.5-36.3000112.8L77 Y109 R114 Y115L77-D111 HydrophobicContact CD2-CB 4.15Å; Y109-D111 VanDerWaalsContact C-N 3.34Å; Y109-D111 PolarHBondContact O-N 2.67Å; D111-R114 IonicContact OD1-CZ 3.94Å; D111-R114 IonicContact OD1-NE 3.41Å; D111-R114 IonicContact OD1-NH2 3.59Å; D111-R114 PolarHBondContact OD1-NH2 3.38Å; D111-Y115 WeakPolarHBondContact O-CB 3.28Å; D111-Y115 PolarHBondContact O-N 3.06Å
112I98.8Very high98.1Very high3 Ų334.1 Ų34.12%0.01520%0.196CC..Hα-helixtrans-71.3-43.9176-61.6178000109.9V72 L77 V80 A104 Y109 R114 Y115 L116V72-I112 HydrophobicContact CB-CG2 4.49Å; V72-I112 HydrophobicContact CG1-CG2 4.03Å; V72-I112 HydrophobicContact CG2-CG2 3.9Å; L77-I112 HydrophobicContact CB-CG1 4.08Å; L77-I112 HydrophobicContact CD1-CG1 4Å; V80-I112 HydrophobicContact CG1-CG2 4.3Å; V80-I112 HydrophobicContact CG2-CD1 4.28Å; V80-I112 HydrophobicContact CG2-CG2 4.23Å; A104-I112 HydrophobicContact CB-CB 4.29Å; A104-I112 HydrophobicContact CB-CG2 4.02Å; Y109-I112 HydrophobicContact CD2-CD1 4.25Å; Y109-I112 HydrophobicContact CG-CD1 4.13Å; Y109-I112 PolarHBondContact O-N 3.14Å; I112-R114 PolarHBondContact O-N 2.91Å; I112-Y115 PolarHBondContact O-N 3.33Å; I112-L116 HydrophobicContact CG2-CD1 3.91Å; I112-L116 HydrophobicContact CG2-CG 4.29Å; I112-L116 WeakPolarHBondContact O-CG 3.43Å; I112-L116 PolarHBondContact O-N 3.36Å
113A98.6Very high98Very high0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-59.6-47.117600000111.5L101 A104 Y109 P110 Y115 L116 I117 L144 L147L101-A113 HydrophobicContact CD1-CB 3.95Å; A104-A113 HydrophobicContact CB-CB 4.09Å; Y109-A113 WeakPolarHBondContact O-CB 3.43Å; Y109-A113 PolarHBondContact O-N 3.28Å; P110-A113 PolarHBondContact O-N 3.29Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 2.96Å; A113-L116 PolarHBondContact O-N 3.48Å; A113-I117 WeakPolarHBondContact O-CB 3.38Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.5Å; A113-I117 PolarHBondContact O-N 3.01Å; A113-L144 HydrophobicContact CB-CD2 3.46Å; A113-L144 VanDerWaalsContact CB-CD2 3.46Å; A113-L147 HydrophobicContact CB-CD2 3.87Å
114R98.4Very high98Very high88 Ų8842.3 Ų42.333%0.33224%0.235SC..Hα-helixtrans-55.3-47.5173.8-87.6-174.1-73.8-94.85.6111.8P110 D111 I112 I117 S118 E143 L147P110-R114 WeakPolarHBondContact O-CB 3.24Å; P110-R114 WeakPolarHBondContact O-CG 3.36Å; P110-R114 PolarHBondContact O-N 3.49Å; D111-R114 IonicContact OD1-CZ 3.94Å; D111-R114 IonicContact OD1-NE 3.41Å; D111-R114 IonicContact OD1-NH2 3.59Å; D111-R114 PolarHBondContact OD1-NH2 3.38Å; I112-R114 PolarHBondContact O-N 2.91Å; R114-I117 PolarHBondContact O-N 3.42Å; R114-S118 WeakPolarHBondContact O-CB 3.47Å; R114-S118 PolarHBondContact O-N 3.01Å; R114-E143 IonicContact CZ-OE2 3.57Å; R114-E143 IonicContact NH1-OE2 2.81Å; R114-E143 PolarHBondContact NH1-OE2 3.42Å; R114-E143 IonicContact NH2-OE2 2.71Å; R114-E143 PolarHBondContact NH2-OE2 3.35Å; R114-L147 HydrophobicContact CG-CD1 3.6Å; R114-L147 HydrophobicContact CG-CD2 3.73Å; R114-L147 HydrophobicContact CG-CG 4.29Å
115Y98.8Very high97.9Very high48 Ų4842.9 Ų42.919%0.18824%0.24CC..Hα-helixtrans-61.4-48.4179176.7-115000111.9L77 V80 K81 V84 D111 I112 A113 I117 S118 L119L77-Y115 HydrophobicContact CD1-CD1 4.04Å; L77-Y115 HydrophobicContact CD1-CG 4.04Å; V80-Y115 HydrophobicContact CG1-CD1 3.93Å; V80-Y115 HydrophobicContact CG1-CE1 4.01Å; K81-Y115 HydrophobicContact CB-CE1 4.3Å; K81-Y115 HydrophobicContact CG-CD1 4.14Å; K81-Y115 HydrophobicContact CG-CD2 4.34Å; K81-Y115 HydrophobicContact CG-CE1 3.68Å; K81-Y115 HydrophobicContact CG-CE2 3.91Å; K81-Y115 HydrophobicContact CG-CG 4.44Å; V84-Y115 HydrophobicContact CB-CE1 4.49Å; V84-Y115 HydrophobicContact CG2-CE1 4.27Å; D111-Y115 WeakPolarHBondContact O-CB 3.28Å; D111-Y115 PolarHBondContact O-N 3.06Å; I112-Y115 PolarHBondContact O-N 3.33Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 2.96Å; Y115-I117 PolarHBondContact O-N 2.94Å; Y115-S118 PolarHBondContact O-N 3.45Å; Y115-S118 PolarHBondContact O-OG 3.21Å; Y115-L119 HydrophobicContact CD1-CD1 4.27Å; Y115-L119 HydrophobicContact CD2-CD1 4.48Å; Y115-L119 HydrophobicContact CE1-CD1 3.71Å; Y115-L119 HydrophobicContact CE2-CD1 3.94Å; Y115-L119 HydrophobicContact CE2-CD2 4.45Å; Y115-L119 HydrophobicContact CE2-CG 4.28Å; Y115-L119 WeakPolarHBondContact O-CG 3.31Å; Y115-L119 PolarHBondContact O-N 3.09Å
116L98.7Very high97.8Very high0 Ų044.7 Ų44.70%026%0.255CS..Hα-helixtrans-62.5-44.8178.9-68.4172.1000111.7V72 V80 I90 P100 L101 A104 I112 A113 S118 L119 G120 A121V72-L116 HydrophobicContact CG2-CD1 4.46Å; V80-L116 HydrophobicContact CG1-CD2 4.34Å; I90-L116 HydrophobicContact CB-CD2 4.41Å; I90-L116 HydrophobicContact CG2-CD2 4.23Å; P100-L116 HydrophobicContact CB-CD1 3.83Å; P100-L116 HydrophobicContact CB-CD2 4.38Å; L101-L116 HydrophobicContact CB-CD1 4.42Å; L101-L116 HydrophobicContact CD1-CB 4.37Å; A104-L116 HydrophobicContact CB-CD1 4.46Å; I112-L116 HydrophobicContact CG2-CD1 3.91Å; I112-L116 HydrophobicContact CG2-CG 4.29Å; I112-L116 WeakPolarHBondContact O-CG 3.43Å; I112-L116 PolarHBondContact O-N 3.36Å; A113-L116 PolarHBondContact O-N 3.48Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.31Å; L116-L119 WeakPolarHBondContact O-CB 3.28Å; L116-L119 PolarHBondContact O-N 3.36Å; L116-L119 VanDerWaalsContact O-N 3.07Å; L116-G120 PolarHBondContact O-N 2.96Å; L116-A121 VanDerWaalsContact C-CB 3.48Å; L116-A121 HydrophobicContact CB-CB 3.87Å; L116-A121 WeakPolarHBondContact O-CB 3.33Å; L116-A121 PolarHBondContact O-N 3.3Å
117I98.3Very high97.7Very high33 Ų3343.5 Ų43.517%0.16925%0.246CC..Hα-helixtrans-61.3-40.7176.5-70167.4000110.8L101 A113 R114 Y115 L119 G120 R123 L147 F148L101-I117 HydrophobicContact CD1-CD1 4.2Å; L101-I117 HydrophobicContact CD1-CG1 3.98Å; L101-I117 HydrophobicContact CD2-CG1 4.07Å; A113-I117 WeakPolarHBondContact O-CB 3.38Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.5Å; A113-I117 PolarHBondContact O-N 3.01Å; R114-I117 PolarHBondContact O-N 3.42Å; Y115-I117 PolarHBondContact O-N 2.94Å; I117-L119 PolarHBondContact O-N 3.38Å; I117-L119 VanDerWaalsContact O-N 3.14Å; I117-G120 PolarHBondContact O-N 3.3Å; I117-R123 HydrophobicContact CD1-CG 4.45Å; I117-R123 HydrophobicContact CG1-CG 4.2Å; I117-L147 HydrophobicContact CD1-CD2 3.88Å; I117-L147 HydrophobicContact CD1-CG 4.1Å; I117-F148 HydrophobicContact CD1-CE2 3.93Å; I117-F148 HydrophobicContact CD1-CZ 4.01Å
118S98.1Very high97.6Very high89 Ų8946.9 Ų46.962%0.62226%0.264SS*.Hα-helixtrans-62.2-20.7176.977.50000113.8R114 Y115 L116R114-S118 WeakPolarHBondContact O-CB 3.47Å; R114-S118 PolarHBondContact O-N 3.01Å; Y115-S118 PolarHBondContact O-N 3.45Å; Y115-S118 PolarHBondContact O-OG 3.21Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.31Å
119L98.3Very high97.3Very high77 Ų7750.3 Ų50.340%0.40328%0.279SS..THydrogen-bonded Turntrans-92.92.7175.3-62.2172.8000113.1V84 I90 Y115 L116 I117V84-L119 HydrophobicContact CG1-CD1 3.7Å; V84-L119 HydrophobicContact CG2-CD1 4.48Å; I90-L119 HydrophobicContact CD1-CB 3.87Å; I90-L119 WeakPolarHBondContact CD1-O 3.5Å; I90-L119 HydrophobicContact CG2-CD1 4.27Å; Y115-L119 HydrophobicContact CD1-CD1 4.27Å; Y115-L119 HydrophobicContact CD2-CD1 4.48Å; Y115-L119 HydrophobicContact CE1-CD1 3.71Å; Y115-L119 HydrophobicContact CE2-CD1 3.94Å; Y115-L119 HydrophobicContact CE2-CD2 4.45Å; Y115-L119 HydrophobicContact CE2-CG 4.28Å; Y115-L119 WeakPolarHBondContact O-CG 3.31Å; Y115-L119 PolarHBondContact O-N 3.09Å; L116-L119 WeakPolarHBondContact O-CB 3.28Å; L116-L119 PolarHBondContact O-N 3.36Å; L116-L119 VanDerWaalsContact O-N 3.07Å; I117-L119 PolarHBondContact O-N 3.38Å; I117-L119 VanDerWaalsContact O-N 3.14Å
120G97.8Very high97.1Very high50 Ų5049.9 Ų49.952%0.51529%0.291SS..THydrogen-bonded Turntrans87.721.1-17900000114.4H91 L116 I117 D122H91-G120 PolarHBondContact CE1-O 3.47Å; L116-G120 PolarHBondContact O-N 2.96Å; I117-G120 PolarHBondContact O-N 3.3Å; G120-D122 PolarHBondContact O-N 3.07Å
121A98Very high97.1Very high6 Ų651.5 Ų51.55%0.0530%0.299CS..  trans-55.7132.217200000110.6I90 L101 L116 R123I90-A121 HydrophobicContact CD1-CB 4.39Å; L101-A121 HydrophobicContact CB-CB 4.44Å; L101-A121 HydrophobicContact CD2-CB 4.12Å; L116-A121 VanDerWaalsContact C-CB 3.48Å; L116-A121 HydrophobicContact CB-CB 3.87Å; L116-A121 WeakPolarHBondContact O-CB 3.33Å; L116-A121 PolarHBondContact O-N 3.3Å; A121-R123 PolarHBondContact O-N 3.2Å
122D97.3Very high97Very high74 Ų7449.2 Ų49.240%0.39629%0.286SS..  trans-69.8118-176.3-177.53.8000110.1H91 G120 D124 A125H91-D122 PolarHBondContact CE1-N 3.16Å; G120-D122 PolarHBondContact O-N 3.07Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 PolarHBondContact OD1-N 3.04Å; D122-A125 HydrophobicContact CB-CB 4.01Å; D122-A125 PolarHBondContact OD1-N 3.09Å
123R96.9Very high96.9Very high54 Ų5449.1 Ų49.120%0.20429%0.285CS..THydrogen-bonded Turntrans-80-17.1-177.6-62171.567.8130.21.1112.2L101 I117 A121 P133 L147 F148 A151L101-R123 HydrophobicContact CD2-CG 4.33Å; I117-R123 HydrophobicContact CD1-CG 4.45Å; I117-R123 HydrophobicContact CG1-CG 4.2Å; A121-R123 PolarHBondContact O-N 3.2Å; R123-P133 WeakPolarHBondContact O-CD 3.41Å; R123-L147 PolarHBondContact NH2-O 3.29Å; R123-F148 HydrophobicContact CB-CE1 4.23Å; R123-F148 HydrophobicContact CG-CE1 4.44Å; R123-F148 VanDerWaalsContact NH2-CA 3.33Å; R123-F148 PolarHBondContact NH2-O 3.11Å; R123-A151 VanDerWaalsContact CZ-CB 3.46Å; R123-A151 VanDerWaalsContact NH2-CB 3.25Å
124D96.8Very high96.9Very high118 Ų11851.1 Ų51.163%0.63130%0.299SS*.THydrogen-bonded Turntrans-113.112.9-176.4-56.2-41.3000111.7D122 A126 L132D122-D124 VanDerWaalsContact C-N 3.3Å; D122-D124 PolarHBondContact OD1-N 3.04Å; D124-A126 PolarHBondContact O-N 2.87Å; D124-L132 WeakPolarHBondContact O-CD2 3.16Å
125A96.6Very high96.8Very high12 Ų1251.7 Ų51.710%0.09931%0.309CS..  trans-66.2115.1174.200000109.6T99 H102 D122 P133T99-A125 HydrophobicContact CG2-CB 4.18Å; H102-A125 PolarHBondContact CE1-O 3.47Å; H102-A125 PolarHBondContact NE2-O 2.87Å; D122-A125 HydrophobicContact CB-CB 4.01Å; D122-A125 PolarHBondContact OD1-N 3.09Å; A125-P133 WeakPolarHBondContact O-CD 3.17Å
126A96.9Very high96.6Very high39 Ų3950.9 Ų50.932%0.32231%0.308SS..  trans-81.8133.4174.800000111.8R93 D124 L132R93-A126 VanDerWaalsContact CZ-O 3.31Å; R93-A126 PolarHBondContact NH1-O 2.88Å; R93-A126 PolarHBondContact NH2-O 2.99Å; D124-A126 PolarHBondContact O-N 2.87Å; A126-L132 HydrophobicContact CB-CD2 4.06Å
127N95.3Very high96.6Very high6 Ų651.9 Ų51.93%0.03231%0.313CS..  trans-70.8-176.9167.174.214.2000111.3W98 H102 D129 G130 D131W98-N127 HydrophobicContact CG-CB 4.33Å; W98-N127 PolarHBondContact NE1-ND2 3.47Å; W98-N127 VanDerWaalsContact NE1-ND2 3.17Å; H102-N127 PolarHBondContact NE2-N 3.35Å; N127-D129 VanDerWaalsContact C-N 3.26Å; N127-D129 PolarHBondContact O-N 2.97Å; N127-D129 WeakPolarHBondContact OD1-CA 3.29Å; N127-D129 PolarHBondContact OD1-N 3.18Å; N127-G130 PolarHBondContact O-N 3.28Å; N127-G130 VanDerWaalsContact O-N 3.12Å; N127-G130 PolarHBondContact OD1-N 2.74Å; N127-D131 PolarHBondContact N-O 3.36Å; N127-D131 PolarHBondContact ND2-OD2 3.47Å; N127-D131 PolarHBondContact OD1-N 3.04Å
128D93.8Very high96.5Very high98 Ų9854 Ų5452%0.52433%0.325SS..THydrogen-bonded Turntrans-73-17.4-176.7-64.3-7.1000113.9R93 A96 G97 G130R93-D128 IonicContact CZ-OD1 3.61Å; R93-D128 IonicContact NH2-OD1 2.86Å; R93-D128 PolarHBondContact NH2-OD1 3.49Å; A96-D128 WeakPolarHBondContact CA-OD2 3.47Å; A96-D128 VanDerWaalsContact O-CB 3.3Å; A96-D128 WeakPolarHBondContact O-CB 3.27Å; A96-D128 VanDerWaalsContact O-CG 3.23Å; A96-D128 PolarHBondContact O-N 3.25Å; G97-D128 WeakPolarHBondContact CA-OD1 3.43Å; G97-D128 PolarHBondContact N-OD2 2.93Å; D128-G130 VanDerWaalsContact C-N 3.32Å
129D91.3Very high96.3Very high91 Ų9154.6 Ų54.649%0.48733%0.327SS..THydrogen-bonded Turntrans-85.9-8.1172.2-69-46.7000111.9N127N127-D129 VanDerWaalsContact C-N 3.26Å; N127-D129 PolarHBondContact O-N 2.97Å; N127-D129 WeakPolarHBondContact OD1-CA 3.29Å; N127-D129 PolarHBondContact OD1-N 3.18Å
130G95.2Very high96.2Very high47 Ų4757.2 Ų57.249%0.48534%0.341SS..SBendtrans91.12.5-179.500000114.6N127 D128N127-G130 PolarHBondContact O-N 3.28Å; N127-G130 VanDerWaalsContact O-N 3.12Å; N127-G130 PolarHBondContact OD1-N 2.74Å; D128-G130 VanDerWaalsContact C-N 3.32Å
131D95.9Very high96.1Very high56 Ų5658.3 Ų58.330%0.29933%0.332SS..  trans-76.1137.2179.3-50.6-50.8000110.6H102 N127 D135 L136H102-D131 PolarHBondContact NE2-O 3.29Å; N127-D131 PolarHBondContact N-O 3.36Å; N127-D131 PolarHBondContact ND2-OD2 3.47Å; N127-D131 PolarHBondContact OD1-N 3.04Å; D131-D135 HydrophobicContact CB-CB 4.36Å; D131-L136 HydrophobicContact CB-CD2 3.93Å; D131-L136 HydrophobicContact CB-CG 4.15Å
132L97.6Very high96Very high45 Ų4565.5 Ų65.524%0.23636%0.362CS..  trans-83.8160.7167.7-52.8-177.8000110.2D124 A126 S134 D135D124-L132 WeakPolarHBondContact O-CD2 3.16Å; A126-L132 HydrophobicContact CB-CD2 4.06Å; L132-S134 PolarHBondContact O-N 2.98Å; L132-S134 VanDerWaalsContact O-N 3.15Å; L132-D135 VanDerWaalsContact CB-OD2 3.31Å; L132-D135 WeakPolarHBondContact CB-OD2 3.33Å; L132-D135 WeakPolarHBondContact CG-OD2 3.26Å; L132-D135 PolarHBondContact N-OD2 2.9Å; L132-D135 WeakPolarHBondContact O-CB 3.45Å; L132-D135 PolarHBondContact O-N 3.04Å
133P97.4Very high95.9Very high0 Ų067.2 Ų67.20%037%0.367CS..G310 helixtrans-51.3-38.3172.2-27.732.5000113.6L101 C105 R123 A125 D135 L136 F148L101-P133 HydrophobicContact CB-CG 4.46Å; L101-P133 HydrophobicContact CD2-CB 4.19Å; L101-P133 HydrophobicContact CD2-CG 4.08Å; L101-P133 HydrophobicContact CG-CB 3.93Å; L101-P133 HydrophobicContact CG-CG 4.1Å; C105-P133 HydrophobicContact CB-CB 4.41Å; C105-P133 WeakPolarHBondContact CB-O 3.49Å; R123-P133 WeakPolarHBondContact O-CD 3.41Å; A125-P133 WeakPolarHBondContact O-CD 3.17Å; P133-D135 VanDerWaalsContact C-N 3.35Å; P133-D135 PolarHBondContact O-N 3.4Å; P133-L136 PolarHBondContact O-N 2.94Å; P133-F148 HydrophobicContact CB-CE1 4.38Å; P133-F148 HydrophobicContact CB-CZ 4.18Å
134S97.1Very high95.9Very high42 Ų4264.7 Ų64.729%0.29436%0.358SS..G310 helixtrans-65.6-34177.751.60000113.9L132 L136 I137L132-S134 PolarHBondContact O-N 2.98Å; L132-S134 VanDerWaalsContact O-N 3.15Å; S134-L136 PolarHBondContact O-N 3.25Å; S134-I137 PolarHBondContact O-N 3.43Å
135D96.4Very high95.9Very high100 Ų10060.7 Ų60.754%0.53534%0.338SS..G310 helixtrans-70-21-176.5-58-28.8000111.6D131 L132 P133D131-D135 HydrophobicContact CB-CB 4.36Å; L132-D135 VanDerWaalsContact CB-OD2 3.31Å; L132-D135 WeakPolarHBondContact CB-OD2 3.33Å; L132-D135 WeakPolarHBondContact CG-OD2 3.26Å; L132-D135 PolarHBondContact N-OD2 2.9Å; L132-D135 WeakPolarHBondContact O-CB 3.45Å; L132-D135 PolarHBondContact O-N 3.04Å; P133-D135 VanDerWaalsContact C-N 3.35Å; P133-D135 PolarHBondContact O-N 3.4Å
136L95.8Very high95.8Very high32 Ų3265.2 Ų65.217%0.16836%0.357CS..G310 helixtrans-90.5-4.7-179.1-59.2172.8000113.5W98 H102 S106 D131 P133 S134 D138W98-L136 HydrophobicContact CE3-CD1 4.17Å; W98-L136 HydrophobicContact CH2-CD1 3.48Å; W98-L136 VanDerWaalsContact CH2-CD1 3.48Å; W98-L136 HydrophobicContact CH2-CD2 3.96Å; W98-L136 HydrophobicContact CH2-CG 4.3Å; W98-L136 HydrophobicContact CZ2-CD1 3.97Å; W98-L136 HydrophobicContact CZ2-CD2 4.22Å; W98-L136 HydrophobicContact CZ3-CD1 3.6Å; H102-L136 HydrophobicContact CB-CD1 3.89Å; S106-L136 WeakPolarHBondContact CA-O 3.44Å; D131-L136 HydrophobicContact CB-CD2 3.93Å; D131-L136 HydrophobicContact CB-CG 4.15Å; P133-L136 PolarHBondContact O-N 2.94Å; S134-L136 PolarHBondContact O-N 3.25Å; L136-D138 PolarHBondContact O-N 3.12Å
137I97.1Very high95.7Very high21 Ų2165.1 Ų65.111%0.10835%0.351CS..  trans-74.9119-178.5-61.2171.2000109.4C105 S134 F141 L144 V145 F148C105-I137 HydrophobicContact CB-CD1 4.42Å; C105-I137 HydrophobicContact CB-CG1 3.69Å; S134-I137 PolarHBondContact O-N 3.43Å; I137-F141 HydrophobicContact CG2-CB 4.26Å; I137-L144 HydrophobicContact CD1-CB 4.15Å; I137-L144 HydrophobicContact CG1-CB 4.36Å; I137-L144 HydrophobicContact CG2-CB 3.75Å; I137-V145 HydrophobicContact CG2-CG2 3.69Å; I137-F148 HydrophobicContact CD1-CB 4.12Å; I137-F148 HydrophobicContact CD1-CD1 4.46Å; I137-F148 HydrophobicContact CD1-CD2 3.46Å; I137-F148 VanDerWaalsContact CD1-CD2 3.46Å; I137-F148 HydrophobicContact CD1-CE2 3.92Å; I137-F148 HydrophobicContact CD1-CG 3.75Å
138D96Very high95.5Very high76 Ų7666.2 Ų66.241%0.40636%0.355SS..  trans-62.3130.1168.1-167-56.6000109.7L136 D140 F141L136-D138 PolarHBondContact O-N 3.12Å; D138-D140 PolarHBondContact O-N 2.94Å; D138-D140 WeakPolarHBondContact OD1-CB 3.49Å; D138-D140 PolarHBondContact OD1-N 2.94Å; D138-F141 HydrophobicContact CB-CD2 3.6Å; D138-F141 HydrophobicContact CB-CE2 3.58Å; D138-F141 HydrophobicContact CB-CG 4.17Å; D138-F141 HydrophobicContact CB-CZ 4.14Å; D138-F141 WeakPolarHBondContact O-CB 3.27Å; D138-F141 PolarHBondContact O-N 2.97Å
139P94.4Very high95.2Very high103 Ų10367 Ų6767%0.66935%0.354SS*.THydrogen-bonded Turntrans-53.2-24.7178.1-27.935.5000114.9F141P139-F141 VanDerWaalsContact C-N 3.27Å; P139-F141 PolarHBondContact O-N 3.03Å
140D96.1Very high93.9Very high132 Ų13265.3 Ų65.371%0.70636%0.358SS*.THydrogen-bonded Turntrans-72.7-18.9176.8-74.2-18.5000112.9D138 K142D138-D140 PolarHBondContact O-N 2.94Å; D138-D140 WeakPolarHBondContact OD1-CB 3.49Å; D138-D140 PolarHBondContact OD1-N 2.94Å; D140-K142 PolarHBondContact O-N 2.91Å
141F96.6Very high92Very high72 Ų7265.8 Ų65.832%0.31636%0.358SS..  trans-7965.7174-57.6-32.3000111.8G108 I137 D138 P139 E143 L144 V145G108-F141 VanDerWaalsContact CA-CD2 3.42Å; I137-F141 HydrophobicContact CG2-CB 4.26Å; D138-F141 HydrophobicContact CB-CD2 3.6Å; D138-F141 HydrophobicContact CB-CE2 3.58Å; D138-F141 HydrophobicContact CB-CG 4.17Å; D138-F141 HydrophobicContact CB-CZ 4.14Å; D138-F141 WeakPolarHBondContact O-CB 3.27Å; D138-F141 PolarHBondContact O-N 2.97Å; P139-F141 VanDerWaalsContact C-N 3.27Å; P139-F141 PolarHBondContact O-N 3.03Å; F141-E143 VanDerWaalsContact C-N 3.26Å; F141-E143 PolarHBondContact O-N 3.06Å; F141-E143 VanDerWaalsContact O-N 3.09Å; F141-L144 HydrophobicContact CB-CB 4.11Å; F141-L144 HydrophobicContact CB-CD1 4.01Å; F141-L144 HydrophobicContact CB-CG 4.48Å; F141-L144 HydrophobicContact CD2-CD1 4.1Å; F141-L144 HydrophobicContact CG-CD1 4.34Å; F141-L144 WeakPolarHBondContact O-CB 3.46Å; F141-L144 PolarHBondContact O-N 3.29Å; F141-V145 PolarHBondContact O-N 2.92Å
142K95.2Very high89.5Confident158 Ų15868.9 Ų68.969%0.68738%0.379SS*.Hα-helixtrans-48.8-42.8-173.7-62.5-178.3-175.9178.50113.8D140 L144 V145 E146D140-K142 PolarHBondContact O-N 2.91Å; K142-L144 PolarHBondContact O-N 3.43Å; K142-V145 PolarHBondContact O-N 2.73Å; K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.75Å
143E96.4Very high86.9Confident109 Ų10974.1 Ų74.151%0.50940%0.404SS..Hα-helixtrans-63.8-38.7178.8-72.6-172.2-137.300113.6P110 R114 F141 L147P110-E143 HydrophobicContact CB-CB 3.66Å; P110-E143 HydrophobicContact CG-CB 3.96Å; R114-E143 IonicContact CZ-OE2 3.57Å; R114-E143 IonicContact NH1-OE2 2.81Å; R114-E143 PolarHBondContact NH1-OE2 3.42Å; R114-E143 IonicContact NH2-OE2 2.71Å; R114-E143 PolarHBondContact NH2-OE2 3.35Å; F141-E143 VanDerWaalsContact C-N 3.26Å; F141-E143 PolarHBondContact O-N 3.06Å; F141-E143 VanDerWaalsContact O-N 3.09Å; E143-L147 VanDerWaalsContact O-CB 3.28Å; E143-L147 WeakPolarHBondContact O-CB 3.25Å; E143-L147 PolarHBondContact O-N 3.14Å
144L96.7Very high84.1Confident1 Ų185.7 Ų85.71%0.00547%0.466CS..Hα-helixtrans-70.6-42.1175.7-80.9172.9000110.9P110 A113 I137 F141 K142 E146 L147 F148P110-L144 HydrophobicContact CB-CD2 4.19Å; P110-L144 HydrophobicContact CB-CG 4.02Å; A113-L144 HydrophobicContact CB-CD2 3.46Å; A113-L144 VanDerWaalsContact CB-CD2 3.46Å; I137-L144 HydrophobicContact CD1-CB 4.15Å; I137-L144 HydrophobicContact CG1-CB 4.36Å; I137-L144 HydrophobicContact CG2-CB 3.75Å; F141-L144 HydrophobicContact CB-CB 4.11Å; F141-L144 HydrophobicContact CB-CD1 4.01Å; F141-L144 HydrophobicContact CB-CG 4.48Å; F141-L144 HydrophobicContact CD2-CD1 4.1Å; F141-L144 HydrophobicContact CG-CD1 4.34Å; F141-L144 WeakPolarHBondContact O-CB 3.46Å; F141-L144 PolarHBondContact O-N 3.29Å; K142-L144 PolarHBondContact O-N 3.43Å; L144-E146 VanDerWaalsContact C-N 3.31Å; L144-E146 PolarHBondContact O-N 3.17Å; L144-L147 HydrophobicContact CD2-CD2 4.23Å; L144-L147 WeakPolarHBondContact O-CB 3.42Å; L144-L147 PolarHBondContact O-N 3.25Å; L144-F148 WeakPolarHBondContact O-CD2 3.42Å; L144-F148 PolarHBondContact O-N 3.28Å
145V96.1Very high83.4Confident34 Ų3487.9 Ų87.921%0.20647%0.474CS..Hα-helixtrans-56.7-47.5175.4171.90000110.5I137 F141 K142 F148 K149I137-V145 HydrophobicContact CG2-CG2 3.69Å; F141-V145 PolarHBondContact O-N 2.92Å; K142-V145 PolarHBondContact O-N 2.73Å; V145-F148 PolarHBondContact O-N 3.31Å; V145-K149 HydrophobicContact CG1-CD 4.15Å; V145-K149 WeakPolarHBondContact O-CG 3.11Å; V145-K149 PolarHBondContact O-N 3.14Å
146E94.6Very high82.7Confident108 Ų10887.3 Ų87.351%0.50547%0.471SS..Hα-helixtrans-67.9-39.3177.9-67.7-52.5128.300112.7K142 L144 F148 K149 G150K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.75Å; L144-E146 VanDerWaalsContact C-N 3.31Å; L144-E146 PolarHBondContact O-N 3.17Å; E146-F148 PolarHBondContact O-N 3.29Å; E146-K149 PolarHBondContact O-N 3.47Å; E146-K149 IonicContact OE1-NZ 2.79Å; E146-K149 PolarHBondContact OE1-NZ 2.74Å; E146-G150 PolarHBondContact O-N 3.04Å
147L95.1Very high82Confident37 Ų3790.3 Ų90.319%0.19449%0.488CS..Hα-helixtrans-56.4-34173.4179.863000112.3A113 R114 I117 R123 E143 L144A113-L147 HydrophobicContact CB-CD2 3.87Å; R114-L147 HydrophobicContact CG-CD1 3.6Å; R114-L147 HydrophobicContact CG-CD2 3.73Å; R114-L147 HydrophobicContact CG-CG 4.29Å; I117-L147 HydrophobicContact CD1-CD2 3.88Å; I117-L147 HydrophobicContact CD1-CG 4.1Å; R123-L147 PolarHBondContact NH2-O 3.29Å; E143-L147 VanDerWaalsContact O-CB 3.28Å; E143-L147 WeakPolarHBondContact O-CB 3.25Å; E143-L147 PolarHBondContact O-N 3.14Å; L144-L147 HydrophobicContact CD2-CD2 4.23Å; L144-L147 WeakPolarHBondContact O-CB 3.42Å; L144-L147 PolarHBondContact O-N 3.25Å
148F91.3Very high81.1Confident29 Ų2994.4 Ų94.413%0.12751%0.51CS..Hα-helixtrans-85.5-31.6179.2-84-100.3000114.7L101 I117 R123 P133 I137 L144 V145 E146L101-F148 HydrophobicContact CD2-CZ 4.39Å; I117-F148 HydrophobicContact CD1-CE2 3.93Å; I117-F148 HydrophobicContact CD1-CZ 4.01Å; R123-F148 HydrophobicContact CB-CE1 4.23Å; R123-F148 HydrophobicContact CG-CE1 4.44Å; R123-F148 VanDerWaalsContact NH2-CA 3.33Å; R123-F148 PolarHBondContact NH2-O 3.11Å; P133-F148 HydrophobicContact CB-CE1 4.38Å; P133-F148 HydrophobicContact CB-CZ 4.18Å; I137-F148 HydrophobicContact CD1-CB 4.12Å; I137-F148 HydrophobicContact CD1-CD1 4.46Å; I137-F148 HydrophobicContact CD1-CD2 3.46Å; I137-F148 VanDerWaalsContact CD1-CD2 3.46Å; I137-F148 HydrophobicContact CD1-CE2 3.92Å; I137-F148 HydrophobicContact CD1-CG 3.75Å; L144-F148 WeakPolarHBondContact O-CD2 3.42Å; L144-F148 PolarHBondContact O-N 3.28Å; V145-F148 PolarHBondContact O-N 3.31Å; E146-F148 PolarHBondContact O-N 3.29Å
149K86.3Confident80.2Confident114 Ų11495.6 Ų95.650%0.49652%0.517SS..Hα-helixtrans-68.2-40.7172-71.3172.1-174.8166.40113.2V145 E146 A151 T152V145-K149 HydrophobicContact CG1-CD 4.15Å; V145-K149 WeakPolarHBondContact O-CG 3.11Å; V145-K149 PolarHBondContact O-N 3.14Å; E146-K149 PolarHBondContact O-N 3.47Å; E146-K149 IonicContact OE1-NZ 2.79Å; E146-K149 PolarHBondContact OE1-NZ 2.74Å; K149-A151 PolarHBondContact O-N 3.32Å; K149-T152 PolarHBondContact O-N 3.06Å; K149-T152 PolarHBondContact O-OG1 3.23Å
150G65.3Low79.2Confident55 Ų5595.1 Ų95.157%0.56751%0.507SS*.THydrogen-bonded Turntrans-65.8-4.4-173.900000115.9E146E146-G150 PolarHBondContact O-N 3.04Å
151A55.1Low78Confident58 Ų5892.4 Ų92.448%0.47949%0.493SS..THydrogen-bonded Turntrans-90.82.9176.500000114.2R123 K149R123-A151 VanDerWaalsContact CZ-CB 3.46Å; R123-A151 VanDerWaalsContact NH2-CB 3.25Å; K149-A151 PolarHBondContact O-N 3.32Å
152T43.7Very low76.6Confident121 Ų12194 Ų9474%0.74251%0.506SS*.SBendtrans-95.511.8179.953.60000114.3K149K149-T152 PolarHBondContact O-N 3.06Å; K149-T152 PolarHBondContact O-OG1 3.23Å
153M42.4Very low75Confident155 Ų15588.7 Ų88.776%0.76449%0.491SS*.  trans-11891.8171.7-65.1-172.7-129.900108.6
154D37.7Very low73.1Confident243 Ų24386.8 Ų86.8100%1.29949%0.489SS*.  trans-173.50137.5-81.5-23.6000109.7

Retrieved 154 of 154 residues in 30.8 ms (Link to these results)

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