A0A3Q0KSK3_SCHMA Loading...

PCNA-interacting partner

AlphaFold DB , UniProt , Accession A0A3Q0KSK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 651 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42Very low75.4Confident217 Ų21768.5 Ų68.5100%1.06936%0.361SS*.  0134.10-67.2-153.8136.300107.3N3M1-N3 PolarHBondContact O-N 3.32Å
2S49.8Very low74.5Confident48 Ų4866.8 Ų66.834%0.33635%0.352SS..  trans-60.6127.4-178.350.40000110Y4S2-Y4 PolarHBondContact O-N 2.89Å
3N59.4Low72.9Confident169 Ų16969 Ų6990%0.90438%0.376SS*.SBendtrans-65.817.3176.2-76.9-17.7000113.9M1M1-N3 PolarHBondContact O-N 3.32Å
4Y70.9Confident70.9Confident115 Ų11577.9 Ų77.945%0.45140%0.403SS..SBendtrans-105.4140.2-173.3-66.4-74.1000110.7S2 Y142S2-Y4 PolarHBondContact O-N 2.89Å; Y4-Y142 WeakPolarHBondContact CB-OH 3.5Å; Y4-Y142 HydrophobicContact CD2-CE2 4.48Å; Y4-Y142 AromaticContact CG-CE2 4Å; Y4-Y142 HydrophobicContact CG-CE2 4Å
5P81Confident68.7Low71 Ų7177.9 Ų77.946%0.46143%0.43SS..PPolyproline II helixtrans-62.8141.9177.327.8-34.2000110Y24 Y142P5-Y24 HydrophobicContact CG-CD1 4.25Å; P5-Y24 HydrophobicContact CG-CG 4.27Å; P5-Y142 WeakPolarHBondContact O-CE1 3.47Å; P5-Y142 VanDerWaalsContact O-CZ 3.28Å; P5-Y142 PolarHBondContact O-OH 2.84Å
6P89.3Confident66.9Low40 Ų4075.3 Ų75.326%0.2643%0.427SS..PPolyproline II helixtrans-61.8147178.226.6-34.2000111.4F8 H143 I145P6-F8 HydrophobicContact CB-CZ 4.43Å; P6-F8 HydrophobicContact CG-CE1 4.25Å; P6-F8 HydrophobicContact CG-CE2 3.8Å; P6-F8 HydrophobicContact CG-CZ 3.59Å; P6-F8 WeakPolarHBondContact O-CD2 3.36Å; P6-H143 HydrophobicContact CB-CB 4.32Å; P6-I145 HydrophobicContact CB-CD1 3.56Å; P6-I145 HydrophobicContact CB-CG1 4.04Å; P6-I145 HydrophobicContact CG-CD1 3.96Å
7V92.4Very high65.5Low0 Ų077.4 Ų77.40%045%0.447CS..EExtended strand (participates in β ladder)trans-82.5122.7171.2169.70000108.4I9 Y24 L26 F29 Y142 H143 Y144 I145V7-I9 HydrophobicContact CG1-CG1 4.24Å; V7-Y24 HydrophobicContact CG2-CD1 3.72Å; V7-Y24 HydrophobicContact CG2-CE1 3.74Å; V7-L26 HydrophobicContact CG1-CB 4.1Å; V7-L26 HydrophobicContact CG1-CD1 3.83Å; V7-F29 HydrophobicContact CG2-CB 3.57Å; V7-F29 HydrophobicContact CG2-CD1 3.91Å; V7-F29 HydrophobicContact CG2-CD2 3.83Å; V7-F29 HydrophobicContact CG2-CE2 4.5Å; V7-F29 HydrophobicContact CG2-CG 3.47Å; V7-F29 VanDerWaalsContact CG2-CG 3.47Å; V7-Y142 HydrophobicContact CB-CD1 4.28Å; V7-Y142 HydrophobicContact CB-CE1 4.29Å; V7-Y142 HydrophobicContact CG2-CD1 3.55Å; V7-Y142 HydrophobicContact CG2-CE1 3.37Å; V7-H143 PolarHBondContact N-O 2.95Å; V7-Y144 HydrophobicContact CB-CD1 3.79Å; V7-Y144 HydrophobicContact CB-CE1 4.27Å; V7-Y144 HydrophobicContact CG1-CD1 3.85Å; V7-Y144 HydrophobicContact CG1-CE1 4.37Å; V7-Y144 HydrophobicContact CG2-CD1 4.35Å; V7-Y144 HydrophobicContact CG2-CE1 4.33Å; V7-Y144 WeakPolarHBondContact O-CA 3.38Å; V7-I145 PolarHBondContact O-N 3.07Å
8F90.9Very high63.9Low52 Ų5282.6 Ų82.623%0.22847%0.467CS..EExtended strand (participates in β ladder)trans-96.9134.9177.6-64.3-75.9000110.8P6 V23 Y24 I145 Q147P6-F8 HydrophobicContact CB-CZ 4.43Å; P6-F8 HydrophobicContact CG-CE1 4.25Å; P6-F8 HydrophobicContact CG-CE2 3.8Å; P6-F8 HydrophobicContact CG-CZ 3.59Å; P6-F8 WeakPolarHBondContact O-CD2 3.36Å; F8-V23 HydrophobicContact CB-CG1 3.6Å; F8-V23 HydrophobicContact CD2-CG1 3.68Å; F8-V23 HydrophobicContact CG-CG1 3.95Å; F8-Y24 PolarHBondContact N-O 3.01Å; F8-Y24 VanDerWaalsContact N-O 3.11Å; F8-I145 HydrophobicContact CD1-CB 3.95Å; F8-I145 HydrophobicContact CD1-CD1 4.36Å; F8-I145 HydrophobicContact CD1-CG2 4.25Å; F8-I145 HydrophobicContact CE1-CB 4.25Å; F8-I145 HydrophobicContact CE1-CD1 3.82Å; F8-I145 HydrophobicContact CE1-CG2 4.39Å; F8-I145 HydrophobicContact CZ-CD1 4.49Å; F8-Q147 HydrophobicContact CD1-CG 3.79Å; F8-Q147 VanDerWaalsContact CE1-NE2 3.27Å
9I92Very high62.8Low0 Ų082.6 Ų82.60%047%0.469CS..EExtended strand (participates in β ladder)trans-123.3128.4-178-53.6179.1000108.7V7 L26 Y144 I145 V146 Q147 L151 E155 V159 M162V7-I9 HydrophobicContact CG1-CG1 4.24Å; I9-L26 HydrophobicContact CD1-CD1 4.32Å; I9-L26 HydrophobicContact CD1-CD2 4.26Å; I9-L26 HydrophobicContact CG1-CB 4.34Å; I9-L26 HydrophobicContact CG1-CD1 4.44Å; I9-L26 HydrophobicContact CG1-CD2 4.22Å; I9-L26 HydrophobicContact CG2-CD2 4.41Å; I9-Y144 HydrophobicContact CD1-CD1 4.41Å; I9-I145 PolarHBondContact N-O 3.1Å; I9-V146 HydrophobicContact CB-CG2 4.28Å; I9-V146 HydrophobicContact CD1-CG2 4.32Å; I9-Q147 PolarHBondContact O-N 3.19Å; I9-L151 HydrophobicContact CG2-CD2 4.1Å; I9-E155 HydrophobicContact CG2-CB 3.84Å; I9-E155 HydrophobicContact CG2-CG 3.98Å; I9-V159 HydrophobicContact CD1-CG2 3.91Å; I9-V159 HydrophobicContact CG2-CG2 3.85Å; I9-M162 HydrophobicContact CD1-SD 4.24Å
10G86.9Confident62.2Low8 Ų882.5 Ų82.58%0.08246%0.464CS..SBendtrans87.2155.1-175.600000112.7E155G10-E155 PolarHBondContact N-OE1 3.28Å
11L74.6Confident61.8Low34 Ų3481.5 Ų81.518%0.17846%0.455CS..  trans-77.8130.2178.9-67.4170.9000110.3S13 S148 K418 A420L11-S13 PolarHBondContact O-N 2.78Å; L11-S148 WeakPolarHBondContact O-CB 3.22Å; L11-K418 HydrophobicContact CD1-CD 4.5Å; L11-K418 HydrophobicContact CD1-CG 4.32Å; L11-K418 HydrophobicContact CD2-CD 4.09Å; L11-K418 HydrophobicContact CD2-CG 4.25Å; L11-K418 HydrophobicContact CG-CD 4.49Å; L11-A420 HydrophobicContact CD1-CB 4.43Å
12N64.6Low62.7Low47 Ų4776 Ų7625%0.25144%0.438SS..  trans-66.7119.1175.7-170.5-2.2000109.9Y14N12-Y14 VanDerWaalsContact C-N 3.25Å; N12-Y14 PolarHBondContact O-N 3.38Å; N12-Y14 PolarHBondContact OD1-N 3.39Å
13S53.6Low63.9Low96 Ų9675.6 Ų75.667%0.67143%0.434SS*.SBendtrans-71.7-18177.337.10000113.3L11 G15L11-S13 PolarHBondContact O-N 2.78Å; S13-G15 PolarHBondContact O-N 3.45Å
14Y45.1Very low65.1Low193 Ų19368.5 Ų68.576%0.75740%0.395SS*.SBendtrans-83.8109175.1-67.5-82.2000109.9N12N12-Y14 VanDerWaalsContact C-N 3.25Å; N12-Y14 PolarHBondContact O-N 3.38Å; N12-Y14 PolarHBondContact OD1-N 3.39Å
15G37.9Very low66Low78 Ų7863.8 Ų63.880%0.80438%0.378SS*.  trans-60.3153.2-165.100000116.6S13S13-G15 PolarHBondContact O-N 3.45Å
16G40.1Very low66.5Low37 Ų3760.6 Ų60.638%0.38136%0.358SS..  trans152.1105.6169.900000109.7E18 V19G16-E18 PolarHBondContact O-N 2.84Å; G16-V19 PolarHBondContact O-N 2.93Å; G16-V19 VanDerWaalsContact O-N 3.12Å
17S42.7Very low66.7Low110 Ų11058.9 Ų58.977%0.76935%0.346SS*.THydrogen-bonded Turntrans-50.9-27.7169.5175.70000112.1
18E37.9Very low66.7Low172 Ų17259.5 Ų59.580%0.80435%0.349SS*.THydrogen-bonded Turntrans-75.8-30.5-177.5-65.6-178167.500113.3G16 H20G16-E18 PolarHBondContact O-N 2.84Å; E18-H20 VanDerWaalsContact C-N 3.29Å; E18-H20 PolarHBondContact O-N 3.34Å
19V41.9Very low66.8Low82 Ų8257 Ų5750%0.49734%0.338SS..G310 helixtrans-72.9-26.3-179.2-175.50000111.1G16 E21 V23G16-V19 PolarHBondContact O-N 2.93Å; G16-V19 VanDerWaalsContact O-N 3.12Å; V19-E21 PolarHBondContact O-N 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.45Å
20H50.2Low66.9Low80 Ų8057.5 Ų57.537%0.3734%0.34SS..G310 helixtrans-70.2-23.8-177.2-95.6-74.4000114.6E18 S22E18-H20 VanDerWaalsContact C-N 3.29Å; E18-H20 PolarHBondContact O-N 3.34Å; H20-S22 PolarHBondContact O-N 2.93Å
21E53.8Low67.2Low62 Ų6257.2 Ų57.229%0.2934%0.337SS..G310 helixtrans-66-23.5-173.1-67.2-159.2149.700113.8V19 R369 R416V19-E21 PolarHBondContact O-N 3.24Å; E21-R369 PolarHBondContact O-NH1 2.86Å; E21-R416 IonicContact OE1-CZ 3.22Å; E21-R416 IonicContact OE1-NH1 3.91Å; E21-R416 IonicContact OE1-NH2 2.77Å; E21-R416 PolarHBondContact OE1-NH2 2.98Å
22S61.4Low68Low102 Ų10255.7 Ų55.771%0.71333%0.329SS*.G310 helixtrans-113.65.3-174.358.20000114.7H20 Y24H20-S22 PolarHBondContact O-N 2.93Å; S22-Y24 PolarHBondContact O-N 3.17Å
23V75.3Confident69.3Low39 Ų3953.5 Ų53.524%0.23632%0.317CS..  trans-72122.5-179.3-178.40000110.3F8 V19 S25F8-V23 HydrophobicContact CB-CG1 3.6Å; F8-V23 HydrophobicContact CD2-CG1 3.68Å; F8-V23 HydrophobicContact CG-CG1 3.95Å; V19-V23 WeakPolarHBondContact O-CG2 3.45Å; V23-S25 PolarHBondContact O-N 3.26Å
24Y85.8Confident71.2Confident21 Ų2149 Ų498%0.08229%0.285CS..  trans-76.394.2172.9-169.2-122.4000109.7P5 V7 F8 S22 Q28 F29 E32 Y142P5-Y24 HydrophobicContact CG-CD1 4.25Å; P5-Y24 HydrophobicContact CG-CG 4.27Å; V7-Y24 HydrophobicContact CG2-CD1 3.72Å; V7-Y24 HydrophobicContact CG2-CE1 3.74Å; F8-Y24 PolarHBondContact N-O 3.01Å; F8-Y24 VanDerWaalsContact N-O 3.11Å; S22-Y24 PolarHBondContact O-N 3.17Å; Y24-Q28 HydrophobicContact CD2-CG 4.07Å; Y24-Q28 HydrophobicContact CE2-CB 4.46Å; Y24-Q28 HydrophobicContact CE2-CG 3.73Å; Y24-F29 HydrophobicContact CD1-CB 4.42Å; Y24-F29 HydrophobicContact CE1-CB 3.64Å; Y24-F29 AromaticContact CE1-CD2 3.79Å; Y24-F29 HydrophobicContact CE1-CD2 3.79Å; Y24-F29 HydrophobicContact CE1-CG 4.13Å; Y24-F29 WeakPolarHBondContact OH-CA 3.4Å; Y24-E32 WeakPolarHBondContact CE2-OE2 3.49Å; Y24-E32 VanDerWaalsContact CZ-OE2 3.26Å; Y24-E32 PolarHBondContact OH-OE2 3.13Å; Y24-Y142 HydrophobicContact CD1-CE1 4.35Å; Y24-Y142 HydrophobicContact CE1-CE1 4.07Å; Y24-Y142 AromaticContact CE1-CZ 3.77Å; Y24-Y142 WeakPolarHBondContact CE1-OH 3.34Å
25S88.5Confident73.2Confident16 Ų1640.3 Ų40.311%0.11225%0.252CS..BIsolated β-bridgetrans-71.5155.8-173.969.30000112.7V23 I27 Q28 F29V23-S25 PolarHBondContact O-N 3.26Å; S25-I27 PolarHBondContact O-N 3.49Å; S25-Q28 PolarHBondContact O-N 3.4Å; S25-Q28 WeakPolarHBondContact OG-CB 3.49Å; S25-Q28 PolarHBondContact OG-N 3.14Å; S25-F29 PolarHBondContact O-N 3.46Å
26L92.7Very high75.5Confident4 Ų440.9 Ų40.92%0.02123%0.233CC..Hα-helixtrans-56.7-46.2175.8-178.860.7000113.2V7 I9 Q28 F29 L30 F154 E155 M158 M162V7-L26 HydrophobicContact CG1-CB 4.1Å; V7-L26 HydrophobicContact CG1-CD1 3.83Å; I9-L26 HydrophobicContact CD1-CD1 4.32Å; I9-L26 HydrophobicContact CD1-CD2 4.26Å; I9-L26 HydrophobicContact CG1-CB 4.34Å; I9-L26 HydrophobicContact CG1-CD1 4.44Å; I9-L26 HydrophobicContact CG1-CD2 4.22Å; I9-L26 HydrophobicContact CG2-CD2 4.41Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 2.71Å; L26-F29 PolarHBondContact O-N 3.42Å; L26-L30 HydrophobicContact CD1-CD1 4.12Å; L26-L30 HydrophobicContact CD1-CG 4.19Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CG 4.44Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.48Å; L26-F154 HydrophobicContact CD2-CE1 4.46Å; L26-E155 HydrophobicContact CD2-CG 4.31Å; L26-M158 HydrophobicContact CD2-CB 3.62Å; L26-M158 HydrophobicContact CD2-CG 3.82Å; L26-M162 HydrophobicContact CD1-CE 3.83Å
27I93.1Very high77.8Confident3 Ų341 Ų412%0.01522%0.224CC..Hα-helixtrans-69.6-33.3-179.1-171.957000112.4S25 L30 Y31 Y47 R118 I121 F154 V411 E415S25-I27 PolarHBondContact O-N 3.49Å; I27-L30 PolarHBondContact O-N 3.15Å; I27-Y31 VanDerWaalsContact O-CB 3.24Å; I27-Y31 WeakPolarHBondContact O-CB 3.49Å; I27-Y31 PolarHBondContact O-N 3.35Å; I27-Y47 HydrophobicContact CD1-CE2 4.42Å; I27-Y47 HydrophobicContact CG1-CE2 4.37Å; I27-R118 HydrophobicContact CD1-CB 4.01Å; I27-R118 HydrophobicContact CD1-CG 3.67Å; I27-R118 HydrophobicContact CG1-CG 4.04Å; I27-I121 HydrophobicContact CD1-CD1 4.39Å; I27-F154 HydrophobicContact CB-CE1 4.26Å; I27-F154 HydrophobicContact CD1-CE1 4.1Å; I27-F154 HydrophobicContact CD1-CZ 3.97Å; I27-V411 HydrophobicContact CG1-CG1 4.24Å; I27-V411 HydrophobicContact CG2-CG1 4.46Å; I27-E415 HydrophobicContact CG2-CG 3.19Å; I27-E415 VanDerWaalsContact CG2-OE1 3.28Å; I27-E415 WeakPolarHBondContact CG2-OE1 3.23Å
28Q91.3Very high79.9Confident13 Ų1341.4 Ų41.46%0.06122%0.217CC..Hα-helixtrans-60.9-48.6173.2177.8177.9-7.700110Y24 S25 L26 L30 Y31 E32 T412Y24-Q28 HydrophobicContact CD2-CG 4.07Å; Y24-Q28 HydrophobicContact CE2-CB 4.46Å; Y24-Q28 HydrophobicContact CE2-CG 3.73Å; S25-Q28 PolarHBondContact O-N 3.4Å; S25-Q28 WeakPolarHBondContact OG-CB 3.49Å; S25-Q28 PolarHBondContact OG-N 3.14Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 2.71Å; Q28-L30 PolarHBondContact O-N 2.95Å; Q28-Y31 PolarHBondContact O-N 3.05Å; Q28-E32 HydrophobicContact CG-CG 4.39Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.24Å; Q28-E32 PolarHBondContact NE2-OE1 2.75Å; Q28-E32 WeakPolarHBondContact O-CB 3.19Å; Q28-E32 WeakPolarHBondContact O-CG 3.18Å; Q28-E32 PolarHBondContact O-N 3.46Å; Q28-T412 HydrophobicContact CB-CG2 4.24Å; Q28-T412 VanDerWaalsContact CD-CG2 3.45Å; Q28-T412 HydrophobicContact CG-CG2 3.71Å
29F92.7Very high82.3Confident0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-59.3-46.6176.9168.8-105.4000113.4V7 Y24 S25 L26 Y31 E32 T33 L139 Y142 Y144V7-F29 HydrophobicContact CG2-CB 3.57Å; V7-F29 HydrophobicContact CG2-CD1 3.91Å; V7-F29 HydrophobicContact CG2-CD2 3.83Å; V7-F29 HydrophobicContact CG2-CE2 4.5Å; V7-F29 HydrophobicContact CG2-CG 3.47Å; V7-F29 VanDerWaalsContact CG2-CG 3.47Å; Y24-F29 HydrophobicContact CD1-CB 4.42Å; Y24-F29 HydrophobicContact CE1-CB 3.64Å; Y24-F29 AromaticContact CE1-CD2 3.79Å; Y24-F29 HydrophobicContact CE1-CD2 3.79Å; Y24-F29 HydrophobicContact CE1-CG 4.13Å; Y24-F29 WeakPolarHBondContact OH-CA 3.4Å; S25-F29 PolarHBondContact O-N 3.46Å; L26-F29 PolarHBondContact O-N 3.42Å; F29-Y31 VanDerWaalsContact C-N 3.33Å; F29-Y31 PolarHBondContact O-N 3.44Å; F29-E32 PolarHBondContact O-N 3.26Å; F29-T33 VanDerWaalsContact O-CB 3.3Å; F29-T33 WeakPolarHBondContact O-CB 3.3Å; F29-T33 PolarHBondContact O-N 2.99Å; F29-T33 PolarHBondContact O-OG1 2.96Å; F29-L139 HydrophobicContact CE1-CD2 3.71Å; F29-L139 HydrophobicContact CZ-CD2 3.83Å; F29-Y142 HydrophobicContact CD2-CD1 4.44Å; F29-Y142 HydrophobicContact CD2-CD2 4.27Å; F29-Y142 HydrophobicContact CD2-CE1 4.3Å; F29-Y142 HydrophobicContact CD2-CE2 4.07Å; F29-Y142 HydrophobicContact CD2-CG 4.43Å; F29-Y142 HydrophobicContact CE2-CD1 4.1Å; F29-Y142 AromaticContact CE2-CD2 3.44Å; F29-Y142 HydrophobicContact CE2-CD2 3.44Å; F29-Y142 VanDerWaalsContact CE2-CD2 3.44Å; F29-Y142 HydrophobicContact CE2-CE1 4.3Å; F29-Y142 AromaticContact CE2-CE2 3.63Å; F29-Y142 HydrophobicContact CE2-CE2 3.63Å; F29-Y142 AromaticContact CE2-CG 3.67Å; F29-Y142 HydrophobicContact CE2-CG 3.67Å; F29-Y142 HydrophobicContact CZ-CD1 4.46Å; F29-Y142 HydrophobicContact CZ-CD2 4.03Å; F29-Y142 AromaticContact CZ-CG 3.92Å; F29-Y142 HydrophobicContact CZ-CG 3.92Å; F29-Y144 HydrophobicContact CD1-CE1 4.05Å; F29-Y144 AromaticContact CE1-CE1 3.62Å; F29-Y144 HydrophobicContact CE1-CE1 3.62Å; F29-Y144 AromaticContact CE1-CZ 3.88Å; F29-Y144 VanDerWaalsContact CE1-OH 3.28Å; F29-Y144 WeakPolarHBondContact CE1-OH 3.39Å; F29-Y144 HydrophobicContact CZ-CE1 4.26Å; F29-Y144 WeakPolarHBondContact CZ-OH 3.44Å
30L95.4Very high84.4Confident10 Ų1032.7 Ų32.75%0.05217%0.172CC..Hα-helixtrans-64.2-40.6178.5-67.6173.2000111.1L26 I27 Q28 H34 I121 L125 F154 M158L26-L30 HydrophobicContact CD1-CD1 4.12Å; L26-L30 HydrophobicContact CD1-CG 4.19Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CG 4.44Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.48Å; I27-L30 PolarHBondContact O-N 3.15Å; Q28-L30 PolarHBondContact O-N 2.95Å; L30-H34 VanDerWaalsContact O-CB 3.26Å; L30-H34 WeakPolarHBondContact O-CB 3.26Å; L30-H34 PolarHBondContact O-N 3.37Å; L30-I121 HydrophobicContact CB-CG2 4.26Å; L30-L125 HydrophobicContact CB-CD1 4.05Å; L30-L125 HydrophobicContact CD2-CD1 3.76Å; L30-L125 HydrophobicContact CG-CD1 4.49Å; L30-F154 HydrophobicContact CD1-CE1 4.16Å; L30-F154 HydrophobicContact CD1-CZ 3.63Å; L30-M158 HydrophobicContact CD1-CG 4.03Å; L30-M158 HydrophobicContact CD1-SD 3.86Å
31Y93.6Very high85.9Confident3 Ų331.5 Ų31.51%0.01218%0.181CC..Hα-helixtrans-66.2-47177.2-175.8-95.8000112.1I27 Q28 F29 T33 H34 Q35 I121 R407 V408 V411I27-Y31 VanDerWaalsContact O-CB 3.24Å; I27-Y31 WeakPolarHBondContact O-CB 3.49Å; I27-Y31 PolarHBondContact O-N 3.35Å; Q28-Y31 PolarHBondContact O-N 3.05Å; F29-Y31 VanDerWaalsContact C-N 3.33Å; F29-Y31 PolarHBondContact O-N 3.44Å; Y31-T33 VanDerWaalsContact C-N 3.33Å; Y31-T33 PolarHBondContact O-N 2.89Å; Y31-H34 WeakPolarHBondContact O-CB 3.48Å; Y31-H34 PolarHBondContact O-N 3.1Å; Y31-Q35 HydrophobicContact CD1-CG 3.99Å; Y31-Q35 HydrophobicContact CE1-CG 3.53Å; Y31-Q35 HydrophobicContact CE2-CG 4.4Å; Y31-Q35 VanDerWaalsContact O-CG 3.24Å; Y31-Q35 WeakPolarHBondContact O-CG 3.09Å; Y31-Q35 PolarHBondContact O-N 2.85Å; Y31-Q35 PolarHBondContact OH-NE2 3.4Å; Y31-I121 HydrophobicContact CD2-CD1 3.8Å; Y31-R407 WeakPolarHBondContact OH-CB 3.48Å; Y31-V408 HydrophobicContact CD1-CG2 4.3Å; Y31-V408 HydrophobicContact CE1-CG2 3.87Å; Y31-V411 HydrophobicContact CD1-CB 4.35Å; Y31-V411 HydrophobicContact CD1-CG2 3.86Å; Y31-V411 HydrophobicContact CD2-CG2 3.61Å; Y31-V411 HydrophobicContact CE1-CG2 4.08Å; Y31-V411 HydrophobicContact CE2-CG2 3.84Å; Y31-V411 HydrophobicContact CG-CB 4.28Å; Y31-V411 HydrophobicContact CG-CG1 4.13Å; Y31-V411 HydrophobicContact CG-CG2 3.63Å
32E90.9Very high87.2Confident2 Ų230.6 Ų30.61%0.00918%0.181CC..Hα-helixtrans-61.5-42.1177.2-75.9173-172.200111.4Y24 Q28 F29 Q35 E36 I378Y24-E32 WeakPolarHBondContact CE2-OE2 3.49Å; Y24-E32 VanDerWaalsContact CZ-OE2 3.26Å; Y24-E32 PolarHBondContact OH-OE2 3.13Å; Q28-E32 HydrophobicContact CG-CG 4.39Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.24Å; Q28-E32 PolarHBondContact NE2-OE1 2.75Å; Q28-E32 WeakPolarHBondContact O-CB 3.19Å; Q28-E32 WeakPolarHBondContact O-CG 3.18Å; Q28-E32 PolarHBondContact O-N 3.46Å; F29-E32 PolarHBondContact O-N 3.26Å; E32-Q35 PolarHBondContact O-N 3.42Å; E32-E36 WeakPolarHBondContact O-CB 3.13Å; E32-E36 PolarHBondContact O-N 3.21Å; E32-I378 HydrophobicContact CB-CD1 4.3Å; E32-I378 HydrophobicContact CB-CG2 3.98Å; E32-I378 HydrophobicContact CG-CD1 4.49Å; E32-I378 HydrophobicContact CG-CG2 3.92Å; E32-I378 WeakPolarHBondContact OE2-CD1 3.2Å
33T92.4Very high87.9Confident0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-63.9-42.4174.1-57.20000111.4F29 Y31 Q35 E36 F37 L125 L135 K138 L139F29-T33 VanDerWaalsContact O-CB 3.3Å; F29-T33 WeakPolarHBondContact O-CB 3.3Å; F29-T33 PolarHBondContact O-N 2.99Å; F29-T33 PolarHBondContact O-OG1 2.96Å; Y31-T33 VanDerWaalsContact C-N 3.33Å; Y31-T33 PolarHBondContact O-N 2.89Å; T33-Q35 PolarHBondContact O-N 3.07Å; T33-E36 PolarHBondContact O-N 3.19Å; T33-F37 HydrophobicContact CG2-CD2 4.01Å; T33-F37 HydrophobicContact CG2-CE2 4.17Å; T33-F37 WeakPolarHBondContact O-CD2 3.01Å; T33-F37 PolarHBondContact O-N 2.78Å; T33-L125 HydrophobicContact CG2-CD2 3.73Å; T33-L135 HydrophobicContact CG2-CD1 3.46Å; T33-L135 VanDerWaalsContact CG2-CD1 3.46Å; T33-K138 HydrophobicContact CG2-CD 3.95Å; T33-K138 WeakPolarHBondContact OG1-CE 3.37Å; T33-L139 HydrophobicContact CG2-CD2 4.42Å
34H92.2Very high88.2Confident1 Ų128.8 Ų28.81%0.00517%0.169CC..Hα-helixtrans-59.9-36.6174.9166.6-64.8000112.1L30 Y31 L39 E40 I121 R124 L125L30-H34 VanDerWaalsContact O-CB 3.26Å; L30-H34 WeakPolarHBondContact O-CB 3.26Å; L30-H34 PolarHBondContact O-N 3.37Å; Y31-H34 WeakPolarHBondContact O-CB 3.48Å; Y31-H34 PolarHBondContact O-N 3.1Å; H34-L39 PolarHBondContact NE2-O 3.05Å; H34-L39 PolarHBondContact O-N 3.33Å; H34-E40 PolarHBondContact CE1-N 2.8Å; H34-I121 HydrophobicContact CB-CG2 3.93Å; H34-R124 WeakPolarHBondContact NE2-CD 3.45Å; H34-R124 PolarHBondContact NE2-NH1 3.05Å; H34-R124 VanDerWaalsContact NE2-NH1 3.17Å; H34-L125 HydrophobicContact CB-CD2 4.39Å; H34-L125 HydrophobicContact CB-CG 4.4Å
35Q87.4Confident88.4Confident12 Ų1228.7 Ų28.76%0.05617%0.169CC..Hα-helixtrans-75.8-39.4178.3-66.2-73.2-69.900112.3Y31 E32 T33 F37 D38 E40 M382Y31-Q35 HydrophobicContact CD1-CG 3.99Å; Y31-Q35 HydrophobicContact CE1-CG 3.53Å; Y31-Q35 HydrophobicContact CE2-CG 4.4Å; Y31-Q35 VanDerWaalsContact O-CG 3.24Å; Y31-Q35 WeakPolarHBondContact O-CG 3.09Å; Y31-Q35 PolarHBondContact O-N 2.85Å; Y31-Q35 PolarHBondContact OH-NE2 3.4Å; E32-Q35 PolarHBondContact O-N 3.42Å; T33-Q35 PolarHBondContact O-N 3.07Å; Q35-F37 PolarHBondContact O-N 2.87Å; Q35-D38 PolarHBondContact O-N 3.37Å; Q35-D38 VanDerWaalsContact O-N 3.12Å; Q35-E40 PolarHBondContact NE2-OE2 3.35Å; Q35-E40 PolarHBondContact OE1-OE2 3.1Å; Q35-M382 HydrophobicContact CB-CE 3.62Å; Q35-M382 HydrophobicContact CB-SD 3.98Å; Q35-M382 HydrophobicContact CG-CE 3.76Å
36E86.3Confident88.5Confident89 Ų8928 Ų2842%0.41616%0.164SC..Hα-helixtrans-63.3-30.3178.7-177.7177.1145.300113E32 T33 K138E32-E36 WeakPolarHBondContact O-CB 3.13Å; E32-E36 PolarHBondContact O-N 3.21Å; T33-E36 PolarHBondContact O-N 3.19Å; E36-K138 IonicContact OE1-NZ 3.9Å; E36-K138 PolarHBondContact OE1-NZ 3.05Å; E36-K138 WeakPolarHBondContact OE2-CE 3.29Å; E36-K138 IonicContact OE2-NZ 3.87Å; E36-K138 PolarHBondContact OE2-NZ 3.17Å
37F88.7Confident88.6Confident40 Ų4027.8 Ų27.818%0.17516%0.163CC..THydrogen-bonded Turntrans-97.313.4176.9-74.2-95.6000113T33 Q35 L39 A134 L135 K138T33-F37 HydrophobicContact CG2-CD2 4.01Å; T33-F37 HydrophobicContact CG2-CE2 4.17Å; T33-F37 WeakPolarHBondContact O-CD2 3.01Å; T33-F37 PolarHBondContact O-N 2.78Å; Q35-F37 PolarHBondContact O-N 2.87Å; F37-L39 HydrophobicContact CB-CD1 4.15Å; F37-L39 HydrophobicContact CB-CD2 4.14Å; F37-L39 HydrophobicContact CB-CG 3.82Å; F37-L39 VanDerWaalsContact O-CD2 3.29Å; F37-L39 WeakPolarHBondContact O-CD2 3.39Å; F37-L39 PolarHBondContact O-N 2.59Å; F37-L39 VanDerWaalsContact O-N 3.11Å; F37-A134 HydrophobicContact CE1-CB 4.05Å; F37-A134 HydrophobicContact CZ-CB 4.35Å; F37-L135 HydrophobicContact CD1-CB 3.94Å; F37-L135 HydrophobicContact CD1-CD1 4.48Å; F37-L135 HydrophobicContact CD2-CD1 3.88Å; F37-L135 HydrophobicContact CE1-CB 3.59Å; F37-L135 HydrophobicContact CE1-CD1 4.45Å; F37-L135 VanDerWaalsContact CE1-N 3.34Å; F37-L135 HydrophobicContact CE2-CB 4.41Å; F37-L135 HydrophobicContact CE2-CD1 3.84Å; F37-L135 HydrophobicContact CG-CB 4.49Å; F37-L135 HydrophobicContact CG-CD1 4.21Å; F37-L135 HydrophobicContact CZ-CB 3.85Å; F37-L135 HydrophobicContact CZ-CD1 4.15Å; F37-K138 HydrophobicContact CE2-CD 3.72Å; F37-K138 HydrophobicContact CZ-CD 4.4Å
38D85.6Confident88.5Confident119 Ų11927.8 Ų27.864%0.63616%0.163SC*.THydrogen-bonded Turntrans50.936.4177.6-67.9-46.3000114.2Q35 E40Q35-D38 PolarHBondContact O-N 3.37Å; Q35-D38 VanDerWaalsContact O-N 3.12Å; D38-E40 PolarHBondContact O-N 3.2Å; D38-E40 VanDerWaalsContact O-N 3.16Å
39L89.8Confident88.2Confident26 Ų2627.4 Ų27.414%0.13616%0.161CC..  trans-80.78.6-175.5-54.9-178.5000113.6H34 F37 R124 L125 E128H34-L39 PolarHBondContact NE2-O 3.05Å; H34-L39 PolarHBondContact O-N 3.33Å; F37-L39 HydrophobicContact CB-CD1 4.15Å; F37-L39 HydrophobicContact CB-CD2 4.14Å; F37-L39 HydrophobicContact CB-CG 3.82Å; F37-L39 VanDerWaalsContact O-CD2 3.29Å; F37-L39 WeakPolarHBondContact O-CD2 3.39Å; F37-L39 PolarHBondContact O-N 2.59Å; F37-L39 VanDerWaalsContact O-N 3.11Å; L39-R124 HydrophobicContact CB-CB 4.35Å; L39-R124 VanDerWaalsContact O-CD 3.3Å; L39-R124 WeakPolarHBondContact O-CD 3.44Å; L39-R124 PolarHBondContact O-NH1 2.79Å; L39-L125 HydrophobicContact CD1-CD2 3.71Å; L39-L125 HydrophobicContact CD1-CG 4.24Å; L39-E128 HydrophobicContact CD1-CB 4.06Å; L39-E128 HydrophobicContact CD1-CG 4.27Å; L39-E128 HydrophobicContact CD2-CB 4.05Å; L39-E128 HydrophobicContact CD2-CG 3.77Å
40E85.5Confident87.6Confident44 Ų4427.8 Ų27.821%0.20616%0.164CC..  trans-70.6138.2178.956.1-170.6-150.300112.6H34 Q35 D38 C42 R407H34-E40 PolarHBondContact CE1-N 2.8Å; Q35-E40 PolarHBondContact NE2-OE2 3.35Å; Q35-E40 PolarHBondContact OE1-OE2 3.1Å; D38-E40 PolarHBondContact O-N 3.2Å; D38-E40 VanDerWaalsContact O-N 3.16Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 3.25Å; E40-R407 IonicContact OE1-NH1 2.95Å; E40-R407 IonicContact OE1-NH2 2.83Å; E40-R407 PolarHBondContact OE1-NH2 3.11Å; E40-R407 IonicContact OE2-CZ 3.78Å; E40-R407 IonicContact OE2-NH1 3.08Å; E40-R407 PolarHBondContact OE2-NH1 3.27Å; E40-R407 IonicContact OE2-NH2 2.78Å; E40-R407 PolarHBondContact OE2-NH2 3.4Å
41G82Confident86.9Confident55 Ų5528.9 Ų28.957%0.56717%0.168SC*.SBendtrans-71.5-28.7178.100000112.1E45G41-E45 WeakPolarHBondContact CA-OE1 3.43Å; G41-E45 PolarHBondContact N-OE1 3.31Å; G41-E45 PolarHBondContact N-OE2 2.93Å
42C81.1Confident86.5Confident43 Ų4329 Ų2929%0.29117%0.169SC..SBendtrans-159163.3165.572.70000111.6E40 T44 E45E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 3.25Å; C42-T44 PolarHBondContact O-N 3.46Å; C42-T44 PolarHBondContact SG-OG1 2.97Å; C42-T44 VanDerWaalsContact SG-OG1 3.36Å; C42-E45 PolarHBondContact O-N 2.99Å
43S76.1Confident86.3Confident71 Ų7129.2 Ų29.250%0.49717%0.17SC..THydrogen-bonded Turntrans-66.2-9.1-176.559.10000115.4R407S43-R407 PolarHBondContact O-NH1 3.4Å
44T81.6Confident85.8Confident32 Ų3231.4 Ų31.420%0.19618%0.182CC..THydrogen-bonded Turntrans-108.73.2-178.8610000112.8C42 T46 N114 N214C42-T44 PolarHBondContact O-N 3.46Å; C42-T44 PolarHBondContact SG-OG1 2.97Å; C42-T44 VanDerWaalsContact SG-OG1 3.36Å; T44-T46 PolarHBondContact O-N 3.21Å; T44-N114 PolarHBondContact OG1-ND2 3.43Å; T44-N214 WeakPolarHBondContact O-CB 3.25Å
45E88.6Confident85.5Confident20 Ų2031.4 Ų31.49%0.09318%0.182CC..  trans-61.4133.2176.5-72-177.7158.600110.8G41 C42 N114 V116 R124 R407G41-E45 WeakPolarHBondContact CA-OE1 3.43Å; G41-E45 PolarHBondContact N-OE1 3.31Å; G41-E45 PolarHBondContact N-OE2 2.93Å; C42-E45 PolarHBondContact O-N 2.99Å; E45-N114 VanDerWaalsContact CA-O 3.28Å; E45-N114 WeakPolarHBondContact CA-O 3.15Å; E45-V116 HydrophobicContact CB-CG1 4.01Å; E45-V116 HydrophobicContact CG-CG1 4.18Å; E45-V116 WeakPolarHBondContact OE2-CG1 3.48Å; E45-R124 IonicContact OE1-CZ 2.67Å; E45-R124 IonicContact OE1-NH1 3.41Å; E45-R124 IonicContact OE1-NH2 3.09Å; E45-R124 PolarHBondContact OE1-NH2 2.88Å; E45-R124 IonicContact OE2-CZ 2.92Å; E45-R124 IonicContact OE2-NH1 2.86Å; E45-R124 PolarHBondContact OE2-NH1 2.84Å; E45-R124 IonicContact OE2-NH2 3.93Å; E45-R124 PolarHBondContact OE2-NH2 2.75Å; E45-R407 WeakPolarHBondContact O-CD 3.45Å
46T92.3Very high85.6Confident0 Ų030.8 Ų30.80%018%0.179CC..EExtended strand (participates in β ladder)trans-123.9146.5175.653.70000111.5T44 N114 L115 V116 V213 N214 R407 L410T44-T46 PolarHBondContact O-N 3.21Å; T46-N114 PolarHBondContact N-O 3.36Å; T46-L115 WeakPolarHBondContact O-CA 3.49Å; T46-V116 PolarHBondContact O-N 3.18Å; T46-V213 HydrophobicContact CG2-CB 4.21Å; T46-V213 HydrophobicContact CG2-CG1 3.91Å; T46-N214 HydrophobicContact CG2-CB 3.52Å; T46-N214 PolarHBondContact OG1-ND2 2.73Å; T46-R407 HydrophobicContact CG2-CG 4.31Å; T46-L410 HydrophobicContact CG2-CD1 4.38Å
47Y93.3Very high85.7Confident0 Ų026.7 Ų26.70%016%0.16CC..EExtended strand (participates in β ladder)trans-69.9131.6179.7-179.2-111.5000111.8I27 P50 V116 R118 I121 R220 V411 S414I27-Y47 HydrophobicContact CD1-CE2 4.42Å; I27-Y47 HydrophobicContact CG1-CE2 4.37Å; Y47-P50 WeakPolarHBondContact OH-CG 3.3Å; Y47-V116 CarbonylContact C-O 3.58Å; Y47-V116 WeakPolarHBondContact CA-O 3.35Å; Y47-R118 HydrophobicContact CE2-CG 3.63Å; Y47-R118 WeakPolarHBondContact OH-CD 3.47Å; Y47-R118 WeakPolarHBondContact OH-CG 3.29Å; Y47-I121 HydrophobicContact CD2-CD1 3.81Å; Y47-I121 HydrophobicContact CE2-CD1 4.03Å; Y47-R220 PolarHBondContact O-NH1 2.84Å; Y47-R220 PolarHBondContact O-NH2 2.91Å; Y47-V411 HydrophobicContact CD1-CB 4.32Å; Y47-V411 HydrophobicContact CD1-CG2 3.76Å; Y47-V411 HydrophobicContact CD2-CG2 4.25Å; Y47-V411 HydrophobicContact CE1-CG2 4.46Å; Y47-V411 HydrophobicContact CG-CG2 3.62Å; Y47-S414 WeakPolarHBondContact CE1-OG 3.31Å
48I91.7Very high85.5Confident3 Ų326 Ų262%0.01516%0.157CC..PPolyproline II helixtrans-79.7132.8168.5-170.1173.8000109.1D52 L56 V116 D117 L219I48-D52 HydrophobicContact CD1-CB 4.11Å; I48-D52 HydrophobicContact CG1-CB 3.77Å; I48-L56 HydrophobicContact CD1-CB 4.17Å; I48-L56 HydrophobicContact CD1-CD2 4.14Å; I48-V116 PolarHBondContact N-O 2.73Å; I48-D117 HydrophobicContact CG2-CB 3.51Å; I48-L219 HydrophobicContact CD1-CD1 3.61Å; I48-L219 HydrophobicContact CG1-CD1 4.21Å
49L83.9Confident85.5Confident5 Ų520.5 Ų20.53%0.02613%0.127CC..PPolyproline II helixtrans-65.5141.3178.5-59.3172.3000109.4K51 D52 E53 S414L49-K51 HydrophobicContact CB-CG 3.97Å; L49-K51 PolarHBondContact O-N 3.19Å; L49-K51 VanDerWaalsContact O-N 3.1Å; L49-D52 HydrophobicContact CB-CB 4.42Å; L49-D52 WeakPolarHBondContact O-CA 3.36Å; L49-D52 WeakPolarHBondContact O-CB 3.3Å; L49-D52 PolarHBondContact O-N 2.67Å; L49-E53 PolarHBondContact O-N 3.1Å; L49-S414 VanDerWaalsContact CD2-CB 3.47Å
50P81.9Confident85.5Confident8 Ų819.5 Ų19.55%0.05212%0.122CC..Hα-helixtrans-52.1-38179.2-33.138.8000114.2Y47 D52 E53 Y196Y47-P50 WeakPolarHBondContact OH-CG 3.3Å; P50-D52 PolarHBondContact O-N 3.42Å; P50-E53 VanDerWaalsContact O-CB 3.22Å; P50-E53 WeakPolarHBondContact O-CB 3.2Å; P50-E53 WeakPolarHBondContact O-CG 3.39Å; P50-E53 PolarHBondContact O-N 3.45Å; P50-E53 VanDerWaalsContact O-N 3.16Å; P50-Y196 HydrophobicContact CB-CE1 3.94Å; P50-Y196 HydrophobicContact CB-CE2 3.85Å; P50-Y196 WeakPolarHBondContact CB-OH 3.45Å; P50-Y196 HydrophobicContact CG-CE1 4.23Å
51K80.2Confident85.5Confident34 Ų3418.7 Ų18.715%0.14812%0.12CC..Hα-helixtrans-65-24.4175.664.7171.7-168.1148.80114.3L49 E53 Y196 E203L49-K51 HydrophobicContact CB-CG 3.97Å; L49-K51 PolarHBondContact O-N 3.19Å; L49-K51 VanDerWaalsContact O-N 3.1Å; K51-E53 VanDerWaalsContact C-N 3.35Å; K51-Y196 HydrophobicContact CB-CD2 4.09Å; K51-Y196 HydrophobicContact CB-CG 4.23Å; K51-E203 IonicContact NZ-OE1 3.58Å; K51-E203 PolarHBondContact NZ-OE1 2.85Å; K51-E203 IonicContact NZ-OE2 3.89Å; K51-E203 PolarHBondContact NZ-OE2 3.19Å
52D85.8Confident85.4Confident6 Ų618.7 Ų18.73%0.03210%0.102CC..Hα-helixtrans-85.5-12.7179.2-68.4-37.4000111.2I48 L49 P50 L54 T55 L56 L219 R223I48-D52 HydrophobicContact CD1-CB 4.11Å; I48-D52 HydrophobicContact CG1-CB 3.77Å; L49-D52 HydrophobicContact CB-CB 4.42Å; L49-D52 WeakPolarHBondContact O-CA 3.36Å; L49-D52 WeakPolarHBondContact O-CB 3.3Å; L49-D52 PolarHBondContact O-N 2.67Å; P50-D52 PolarHBondContact O-N 3.42Å; D52-L54 VanDerWaalsContact C-N 3.27Å; D52-L54 PolarHBondContact O-N 2.86Å; D52-T55 WeakPolarHBondContact O-CB 3.46Å; D52-T55 PolarHBondContact O-N 3.44Å; D52-T55 VanDerWaalsContact O-N 3.09Å; D52-L56 PolarHBondContact O-N 3.41Å; D52-L219 HydrophobicContact CB-CD1 4.21Å; D52-R223 IonicContact OD1-NH2 2.98Å; D52-R223 PolarHBondContact OD1-NH2 2.87Å; D52-R223 IonicContact OD2-CZ 3.92Å; D52-R223 IonicContact OD2-NH1 3.46Å; D52-R223 IonicContact OD2-NH2 3.74Å; D52-R223 PolarHBondContact OD2-NH2 2.88Å
53E86.1Confident85.2Confident6 Ų620.3 Ų20.33%0.02811%0.108CC..Hα-helixtrans-58.2-38.4171.1-63174.7-175.600111.3L49 P50 K51 T55 L56 I57 W80 R118 W153L49-E53 PolarHBondContact O-N 3.1Å; P50-E53 VanDerWaalsContact O-CB 3.22Å; P50-E53 WeakPolarHBondContact O-CB 3.2Å; P50-E53 WeakPolarHBondContact O-CG 3.39Å; P50-E53 PolarHBondContact O-N 3.45Å; P50-E53 VanDerWaalsContact O-N 3.16Å; K51-E53 VanDerWaalsContact C-N 3.35Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.33Å; E53-L56 WeakPolarHBondContact O-CB 3.46Å; E53-L56 PolarHBondContact O-N 3.31Å; E53-I57 WeakPolarHBondContact O-CD1 3.41Å; E53-I57 WeakPolarHBondContact O-CG1 3.46Å; E53-I57 PolarHBondContact O-N 3.25Å; E53-W80 HydrophobicContact CB-CZ2 4.47Å; E53-W80 PolarHBondContact OE2-NE1 2.94Å; E53-R118 VanDerWaalsContact CD-NH2 3.34Å; E53-R118 IonicContact OE1-CZ 3.8Å; E53-R118 IonicContact OE1-NE 3.46Å; E53-R118 PolarHBondContact OE1-NE 2.87Å; E53-R118 IonicContact OE1-NH2 3.05Å; E53-R118 PolarHBondContact OE1-NH2 3.28Å; E53-R118 VanDerWaalsContact OE1-NH2 3.09Å; E53-R118 IonicContact OE2-CZ 2.68Å; E53-R118 IonicContact OE2-NH2 2.59Å; E53-R118 PolarHBondContact OE2-NH2 3.42Å; E53-W153 WeakPolarHBondContact OE2-CZ2 3.43Å
54L82.7Confident85.5Confident46 Ų4617.6 Ų17.624%0.2419%0.088CC..Hα-helixtrans-62.1-40.9175.3-176.163.8000112.1D52 L56 I57 Q58 I76D52-L54 VanDerWaalsContact C-N 3.27Å; D52-L54 PolarHBondContact O-N 2.86Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-I57 PolarHBondContact O-N 3.5Å; L54-Q58 WeakPolarHBondContact O-CG 3.42Å; L54-Q58 PolarHBondContact O-N 3.35Å; L54-Q58 VanDerWaalsContact O-N 3.08Å; L54-I76 HydrophobicContact CD1-CG2 3.62Å
55T85.5Confident84.9Confident0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-65.1-42.4176.8-54.80000109.9D52 E53 Q58 L59 L219D52-T55 WeakPolarHBondContact O-CB 3.46Å; D52-T55 PolarHBondContact O-N 3.44Å; D52-T55 VanDerWaalsContact O-N 3.09Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.33Å; T55-Q58 PolarHBondContact O-N 2.94Å; T55-L59 HydrophobicContact CG2-CD1 4.11Å; T55-L59 HydrophobicContact CG2-CG 4.38Å; T55-L59 WeakPolarHBondContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CG 3.28Å; T55-L59 PolarHBondContact O-N 3.4Å; T55-L219 HydrophobicContact CG2-CD2 3.94Å
56L89.3Confident83.8Confident0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-57.4-49.6174.6172.761.8000111.9I48 D52 E53 L54 Q58 L59 V60 V106 Y109 L110I48-L56 HydrophobicContact CD1-CB 4.17Å; I48-L56 HydrophobicContact CD1-CD2 4.14Å; D52-L56 PolarHBondContact O-N 3.41Å; E53-L56 WeakPolarHBondContact O-CB 3.46Å; E53-L56 PolarHBondContact O-N 3.31Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 2.9Å; L56-V60 HydrophobicContact CD1-CG2 4.09Å; L56-V60 WeakPolarHBondContact O-CG2 3.18Å; L56-V60 PolarHBondContact O-N 2.93Å; L56-V106 HydrophobicContact CD2-CG1 4.22Å; L56-Y109 HydrophobicContact CD1-CD1 3.21Å; L56-Y109 HydrophobicContact CD1-CD2 4.39Å; L56-Y109 HydrophobicContact CD1-CE1 3.62Å; L56-Y109 HydrophobicContact CD1-CG 3.65Å; L56-L110 HydrophobicContact CD2-CD2 3.92Å; L56-L110 HydrophobicContact CD2-CG 4.31Å
57I88.2Confident82.4Confident3 Ų333.6 Ų33.62%0.01517%0.166CC..Hα-helixtrans-55.9-49.9178.3-64.7159.3000110.3E53 L54 L59 V60 L61 I76 W80 F102E53-I57 WeakPolarHBondContact O-CD1 3.41Å; E53-I57 WeakPolarHBondContact O-CG1 3.46Å; E53-I57 PolarHBondContact O-N 3.25Å; L54-I57 PolarHBondContact O-N 3.5Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.31Å; I57-V60 PolarHBondContact O-N 3.2Å; I57-L61 HydrophobicContact CG2-CD1 3.77Å; I57-L61 HydrophobicContact CG2-CG 4.2Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 WeakPolarHBondContact O-CG 3.39Å; I57-L61 PolarHBondContact O-N 2.58Å; I57-I76 HydrophobicContact CD1-CG2 4.26Å; I57-I76 HydrophobicContact CG2-CG2 4.07Å; I57-W80 HydrophobicContact CD1-CB 3.69Å; I57-W80 HydrophobicContact CD1-CD2 3.35Å; I57-W80 HydrophobicContact CD1-CE3 3.71Å; I57-W80 HydrophobicContact CD1-CG 3.35Å; I57-W80 HydrophobicContact CD1-CZ3 4.44Å; I57-W80 HydrophobicContact CG1-CD2 3.68Å; I57-W80 HydrophobicContact CG1-CE3 3.5Å; I57-W80 HydrophobicContact CG1-CG 4.21Å; I57-W80 HydrophobicContact CG1-CH2 4.25Å; I57-W80 HydrophobicContact CG1-CZ2 4.41Å; I57-W80 HydrophobicContact CG1-CZ3 3.81Å; I57-F102 HydrophobicContact CG2-CE2 4.43Å; I57-F102 HydrophobicContact CG2-CZ 4.08Å
58Q85.3Confident81.2Confident24 Ų2439.1 Ų39.111%0.11219%0.19CC..Hα-helixtrans-66.2-34.6-178.2-70.5175-30.900112.6L54 T55 L56 R62 L464L54-Q58 WeakPolarHBondContact O-CG 3.42Å; L54-Q58 PolarHBondContact O-N 3.35Å; L54-Q58 VanDerWaalsContact O-N 3.08Å; T55-Q58 PolarHBondContact O-N 2.94Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 3.48Å; Q58-R62 WeakPolarHBondContact O-CB 3.45Å; Q58-R62 PolarHBondContact O-N 2.96Å; Q58-R62 VanDerWaalsContact O-N 3.12Å; Q58-L464 HydrophobicContact CB-CD1 3.53Å; Q58-L464 HydrophobicContact CB-CD2 4.17Å; Q58-L464 HydrophobicContact CB-CG 4.49Å; Q58-L464 HydrophobicContact CG-CD2 4.48Å; Q58-L464 VanDerWaalsContact OE1-CD2 3.25Å
59L85.3Confident80.1Confident4 Ų440.2 Ų40.22%0.02119%0.194CC..Hα-helixtrans-64.2-45.8174-73.1173.1000111.7T55 L56 I57 R62 D63 Y109 L219 L464 F467T55-L59 HydrophobicContact CG2-CD1 4.11Å; T55-L59 HydrophobicContact CG2-CG 4.38Å; T55-L59 WeakPolarHBondContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CG 3.28Å; T55-L59 PolarHBondContact O-N 3.4Å; L56-L59 PolarHBondContact O-N 2.9Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.31Å; L59-R62 PolarHBondContact O-N 2.97Å; L59-D63 PolarHBondContact O-N 3.42Å; L59-Y109 HydrophobicContact CD1-CE2 4.37Å; L59-L219 HydrophobicContact CD1-CD2 4.01Å; L59-L464 HydrophobicContact CD2-CD1 4.31Å; L59-L464 HydrophobicContact CG-CD1 4.43Å; L59-F467 HydrophobicContact CD1-CD2 4.16Å; L59-F467 HydrophobicContact CD1-CE1 4.45Å; L59-F467 HydrophobicContact CD1-CE2 4.03Å; L59-F467 HydrophobicContact CD1-CG 4.45Å; L59-F467 HydrophobicContact CD1-CZ 4.19Å; L59-F467 HydrophobicContact CD2-CB 3.41Å; L59-F467 VanDerWaalsContact CD2-CB 3.41Å; L59-F467 HydrophobicContact CD2-CD1 3.81Å; L59-F467 HydrophobicContact CD2-CD2 3.76Å; L59-F467 HydrophobicContact CD2-CE1 4.46Å; L59-F467 HydrophobicContact CD2-CE2 4.41Å; L59-F467 HydrophobicContact CD2-CG 3.42Å; L59-F467 VanDerWaalsContact CD2-CG 3.42Å; L59-F467 HydrophobicContact CG-CD2 4.49Å
60V88.8Confident79.4Confident5 Ų545.7 Ų45.73%0.0323%0.23CC..Hα-helixtrans-68.5-44.1179.7175.90000111.2L56 I57 R62 D63 L64 F102 K105 V106L56-V60 HydrophobicContact CD1-CG2 4.09Å; L56-V60 WeakPolarHBondContact O-CG2 3.18Å; L56-V60 PolarHBondContact O-N 2.93Å; I57-V60 PolarHBondContact O-N 3.2Å; V60-R62 PolarHBondContact O-N 2.8Å; V60-D63 PolarHBondContact O-N 3.16Å; V60-D63 VanDerWaalsContact O-N 3.13Å; V60-L64 HydrophobicContact CG1-CD1 4.11Å; V60-L64 WeakPolarHBondContact O-CG 3.45Å; V60-L64 PolarHBondContact O-N 3.17Å; V60-L64 VanDerWaalsContact O-N 3.11Å; V60-F102 HydrophobicContact CB-CD2 4.38Å; V60-F102 HydrophobicContact CB-CE2 3.91Å; V60-F102 HydrophobicContact CG1-CD2 3.63Å; V60-F102 HydrophobicContact CG1-CE2 3.65Å; V60-K105 HydrophobicContact CG1-CB 3.61Å; V60-K105 HydrophobicContact CG1-CD 4.43Å; V60-V106 HydrophobicContact CB-CG2 4.33Å; V60-V106 HydrophobicContact CG1-CG2 4.13Å; V60-V106 HydrophobicContact CG2-CG2 4.01Å
61L86.3Confident78.8Confident28 Ų2847.5 Ų47.515%0.14724%0.238CC..Hα-helixtrans-58.9-36176.8-74.8176.8000112.2I57 L64 Y69 I71 F79 F102I57-L61 HydrophobicContact CG2-CD1 3.77Å; I57-L61 HydrophobicContact CG2-CG 4.2Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 WeakPolarHBondContact O-CG 3.39Å; I57-L61 PolarHBondContact O-N 2.58Å; L61-L64 PolarHBondContact O-N 2.75Å; L61-L64 VanDerWaalsContact O-O 3.12Å; L61-Y69 HydrophobicContact CD2-CD1 4.44Å; L61-Y69 HydrophobicContact CD2-CG 4.21Å; L61-I71 HydrophobicContact CD1-CD1 4.2Å; L61-I71 HydrophobicContact CD2-CD1 3.84Å; L61-F79 HydrophobicContact CD2-CE1 4.48Å; L61-F102 HydrophobicContact CD2-CD2 3.73Å; L61-F102 HydrophobicContact CD2-CE2 3.72Å; L61-F102 HydrophobicContact CG-CD2 4.28Å; L61-F102 HydrophobicContact CG-CE2 3.79Å
62R78.6Confident78.5Confident54 Ų5452 Ų5220%0.20426%0.258CS..Hα-helixtrans-72.6-34.5177-170.3-156.662-137-19.1112.8Q58 L59 V60 L64 F467 M468Q58-R62 WeakPolarHBondContact O-CB 3.45Å; Q58-R62 PolarHBondContact O-N 2.96Å; Q58-R62 VanDerWaalsContact O-N 3.12Å; L59-R62 PolarHBondContact O-N 2.97Å; V60-R62 PolarHBondContact O-N 2.8Å; R62-L64 CarbonylContact C-O 3.41Å; R62-L64 PolarHBondContact O-N 2.92Å; R62-F467 PolarHBondContact NH1-O 3.47Å; R62-M468 HydrophobicContact CB-CE 4.34Å; R62-M468 VanDerWaalsContact CD-CE 3.5Å; R62-M468 HydrophobicContact CG-CE 3.86Å
63D78.6Confident77.8Confident77 Ų7756.7 Ų56.741%0.41228%0.28SS..Hα-helixtrans-77-6.4177.4-69.85.8000111.2L59 V60 K105L59-D63 PolarHBondContact O-N 3.42Å; V60-D63 PolarHBondContact O-N 3.16Å; V60-D63 VanDerWaalsContact O-N 3.13Å; D63-K105 PolarHBondContact O-NZ 3.31Å
64L81.2Confident76.8Confident14 Ų1463.3 Ų63.37%0.07331%0.311CS..SBendtrans-94.5156.3164.9-66.8163.8000110.3V60 L61 R62 K66 Y69 V101 F102 K105V60-L64 HydrophobicContact CG1-CD1 4.11Å; V60-L64 WeakPolarHBondContact O-CG 3.45Å; V60-L64 PolarHBondContact O-N 3.17Å; V60-L64 VanDerWaalsContact O-N 3.11Å; L61-L64 PolarHBondContact O-N 2.75Å; L61-L64 VanDerWaalsContact O-O 3.12Å; R62-L64 CarbonylContact C-O 3.41Å; R62-L64 PolarHBondContact O-N 2.92Å; L64-K66 PolarHBondContact O-N 3.45Å; L64-Y69 HydrophobicContact CB-CD2 4.11Å; L64-Y69 HydrophobicContact CB-CE2 3.9Å; L64-Y69 HydrophobicContact CD1-CD2 4.31Å; L64-Y69 HydrophobicContact CD1-CE2 3.73Å; L64-Y69 HydrophobicContact CD2-CE2 4.35Å; L64-Y69 HydrophobicContact CG-CE2 4.2Å; L64-V101 HydrophobicContact CD2-CG1 3.86Å; L64-F102 HydrophobicContact CD1-CB 3.91Å; L64-F102 HydrophobicContact CD1-CD2 3.73Å; L64-F102 HydrophobicContact CD1-CG 4.32Å; L64-K105 HydrophobicContact CD2-CD 3.67Å; L64-K105 VanDerWaalsContact CD2-CE 3.47Å; L64-K105 HydrophobicContact CG-CD 3.97Å
65D69.2Low76.9Confident88 Ų8864.1 Ų64.147%0.47132%0.315SS..  trans-63.2122.1177.1-167.5-9.6000109.5D67 K68D65-D67 PolarHBondContact O-N 2.97Å; D65-D67 PolarHBondContact OD1-N 3.37Å; D65-K68 HydrophobicContact CB-CD 4.06Å; D65-K68 HydrophobicContact CB-CG 4.01Å; D65-K68 WeakPolarHBondContact O-CB 3.33Å; D65-K68 PolarHBondContact O-N 2.49Å
66K65Low76.9Confident154 Ų15464.4 Ų64.467%0.6732%0.317SS*.G310 helixtrans-57.9-32.8-176.9-72.8-171.3178.4-175.10111.4L64 K68 Y69L64-K66 PolarHBondContact O-N 3.45Å; K66-K68 PolarHBondContact O-N 3.17Å; K66-Y69 PolarHBondContact O-N 2.9Å
67D64.8Low76.7Confident146 Ų14667 Ų6778%0.78134%0.335SS*.G310 helixtrans-66.8-19.1-179.9-64.6-19.8000112D65D65-D67 PolarHBondContact O-N 2.97Å; D65-D67 PolarHBondContact OD1-N 3.37Å
68K66.5Low76.7Confident116 Ų11673.6 Ų73.650%0.50436%0.36SS..G310 helixtrans-85.8-20.4177.6-65.7-175.9-178.6-170.80114.2D65 K66D65-K68 HydrophobicContact CB-CD 4.06Å; D65-K68 HydrophobicContact CB-CG 4.01Å; D65-K68 WeakPolarHBondContact O-CB 3.33Å; D65-K68 PolarHBondContact O-N 2.49Å; K66-K68 PolarHBondContact O-N 3.17Å
69Y69.6Low76.9Confident27 Ų2773.1 Ų73.111%0.10636%0.357CS..  trans-138.877.2-175.8-57.8-95.2000112.5L61 L64 K66 I71 N98 F102L61-Y69 HydrophobicContact CD2-CD1 4.44Å; L61-Y69 HydrophobicContact CD2-CG 4.21Å; L64-Y69 HydrophobicContact CB-CD2 4.11Å; L64-Y69 HydrophobicContact CB-CE2 3.9Å; L64-Y69 HydrophobicContact CD1-CD2 4.31Å; L64-Y69 HydrophobicContact CD1-CE2 3.73Å; L64-Y69 HydrophobicContact CD2-CE2 4.35Å; L64-Y69 HydrophobicContact CG-CE2 4.2Å; K66-Y69 PolarHBondContact O-N 2.9Å; Y69-I71 HydrophobicContact CD1-CD1 4.38Å; Y69-I71 PolarHBondContact O-N 2.94Å; Y69-N98 HydrophobicContact CE1-CB 3.77Å; Y69-N98 HydrophobicContact CE2-CB 4.4Å; Y69-N98 VanDerWaalsContact OH-CA 3.29Å; Y69-N98 WeakPolarHBondContact OH-CA 3.43Å; Y69-N98 WeakPolarHBondContact OH-CB 3.33Å; Y69-N98 PolarHBondContact OH-O 3.25Å; Y69-F102 HydrophobicContact CE1-CB 4.18Å
70P67.8Low77.2Confident120 Ų12073.3 Ų73.378%0.77936%0.357SS*.  trans-76.166.2170.733.6-35.1000110.4
71I70.7Confident77.3Confident45 Ų4574.8 Ų74.823%0.23136%0.363CS..  trans-85.7122.1176.1-57.8167000107.9L61 Y69 I76 F79L61-I71 HydrophobicContact CD1-CD1 4.2Å; L61-I71 HydrophobicContact CD2-CD1 3.84Å; Y69-I71 HydrophobicContact CD1-CD1 4.38Å; Y69-I71 PolarHBondContact O-N 2.94Å; I71-I76 HydrophobicContact CG2-CG1 3.92Å; I71-F79 HydrophobicContact CD1-CD1 3.7Å; I71-F79 HydrophobicContact CD1-CD2 3.7Å; I71-F79 HydrophobicContact CD1-CE1 3.58Å; I71-F79 HydrophobicContact CD1-CE2 3.6Å; I71-F79 HydrophobicContact CD1-CG 3.75Å; I71-F79 HydrophobicContact CD1-CZ 3.53Å; I71-F79 HydrophobicContact CG1-CD2 4.48Å; I71-F79 HydrophobicContact CG2-CB 4.39Å
72K72.9Confident77.6Confident130 Ų13079.4 Ų79.457%0.56538%0.378SS*.  trans-69.8144.1172.5-62.5-175.5180177.80109.9E74 D75 I76K72-E74 HydrophobicContact CB-CG 3.89Å; K72-E74 HydrophobicContact CD-CG 4.36Å; K72-E74 WeakPolarHBondContact CD-OE1 3.32Å; K72-E74 IonicContact NZ-OE1 3.54Å; K72-E74 PolarHBondContact O-N 3.43Å; K72-E74 VanDerWaalsContact O-N 3.15Å; K72-D75 PolarHBondContact O-N 2.9Å; K72-I76 PolarHBondContact O-N 3.35Å
73Q70.8Confident78.3Confident103 Ų10376.8 Ų76.848%0.48137%0.368SS..G310 helixtrans-55.4-35.5-179-171.568.324.800112.6D75 I76Q73-D75 VanDerWaalsContact C-N 3.26Å; Q73-D75 PolarHBondContact O-N 2.91Å; Q73-I76 VanDerWaalsContact CD-CD1 3.44Å; Q73-I76 HydrophobicContact CG-CD1 4.39Å; Q73-I76 PolarHBondContact O-N 2.86Å
74E66.5Low79Confident146 Ų14673.1 Ų73.168%0.68235%0.349SS*.G310 helixtrans-64.8-24.3177.260.4-169.1172.700114.2K72K72-E74 HydrophobicContact CB-CG 3.89Å; K72-E74 HydrophobicContact CD-CG 4.36Å; K72-E74 WeakPolarHBondContact CD-OE1 3.32Å; K72-E74 IonicContact NZ-OE1 3.54Å; K72-E74 PolarHBondContact O-N 3.43Å; K72-E74 VanDerWaalsContact O-N 3.15Å
75D83.8Confident79.7Confident62 Ų6276.3 Ų76.333%0.33236%0.36SS..G310 helixtrans-97.5-3.3-178.5-71.1-46.4000113.3K72 Q73 S77 R78 F79K72-D75 PolarHBondContact O-N 2.9Å; Q73-D75 VanDerWaalsContact C-N 3.26Å; Q73-D75 PolarHBondContact O-N 2.91Å; D75-S77 VanDerWaalsContact C-N 3.35Å; D75-S77 PolarHBondContact O-N 2.74Å; D75-R78 PolarHBondContact O-N 3.18Å; D75-R78 IonicContact OD1-NH1 3.44Å; D75-R78 PolarHBondContact OD1-NH1 3.17Å; D75-F79 WeakPolarHBondContact O-CB 3.33Å; D75-F79 PolarHBondContact O-N 3.24Å
76I85.2Confident80.9Confident7 Ų772.3 Ų72.34%0.03634%0.338CS..Hα-helixtrans-60-41.5-173.1-69.9-178.4000112.2L54 I57 I71 K72 Q73 R78 F79 W80L54-I76 HydrophobicContact CD1-CG2 3.62Å; I57-I76 HydrophobicContact CD1-CG2 4.26Å; I57-I76 HydrophobicContact CG2-CG2 4.07Å; I71-I76 HydrophobicContact CG2-CG1 3.92Å; K72-I76 PolarHBondContact O-N 3.35Å; Q73-I76 VanDerWaalsContact CD-CD1 3.44Å; Q73-I76 HydrophobicContact CG-CD1 4.39Å; Q73-I76 PolarHBondContact O-N 2.86Å; I76-R78 PolarHBondContact O-N 3.4Å; I76-F79 PolarHBondContact O-N 3.22Å; I76-W80 WeakPolarHBondContact O-CB 3.36Å; I76-W80 PolarHBondContact O-N 2.93Å
77S85.7Confident82.3Confident54 Ų5465 Ų6538%0.37831%0.306SS..Hα-helixtrans-65.7-39.5-179.9-58.60000112.4D75 W80 Y81 F192D75-S77 VanDerWaalsContact C-N 3.35Å; D75-S77 PolarHBondContact O-N 2.74Å; S77-W80 PolarHBondContact O-N 3.34Å; S77-Y81 PolarHBondContact O-N 3.45Å; S77-F192 PolarHBondContact OG-O 3.29Å
78R88.5Confident83.8Confident142 Ų14258.3 Ų58.354%0.53627%0.271SS..Hα-helixtrans-70.8-40.7177.7-174.3178.7-68.9113.9-1.1111.1D75 I76 W80 Y81 R82D75-R78 PolarHBondContact O-N 3.18Å; D75-R78 IonicContact OD1-NH1 3.44Å; D75-R78 PolarHBondContact OD1-NH1 3.17Å; I76-R78 PolarHBondContact O-N 3.4Å; R78-W80 VanDerWaalsContact C-N 3.34Å; R78-Y81 PolarHBondContact O-N 3.13Å; R78-R82 PolarHBondContact O-N 3.37Å; R78-R82 VanDerWaalsContact O-N 3.1Å
79F89Confident85Confident13 Ų1355 Ų556%0.05726%0.255CS..Hα-helixtrans-57.4-49.1170.9172.1-101.7000110.6L61 I71 D75 I76 Y81 R82 M83 E99 F102L61-F79 HydrophobicContact CD2-CE1 4.48Å; I71-F79 HydrophobicContact CD1-CD1 3.7Å; I71-F79 HydrophobicContact CD1-CD2 3.7Å; I71-F79 HydrophobicContact CD1-CE1 3.58Å; I71-F79 HydrophobicContact CD1-CE2 3.6Å; I71-F79 HydrophobicContact CD1-CG 3.75Å; I71-F79 HydrophobicContact CD1-CZ 3.53Å; I71-F79 HydrophobicContact CG1-CD2 4.48Å; I71-F79 HydrophobicContact CG2-CB 4.39Å; D75-F79 WeakPolarHBondContact O-CB 3.33Å; D75-F79 PolarHBondContact O-N 3.24Å; I76-F79 PolarHBondContact O-N 3.22Å; F79-Y81 PolarHBondContact O-N 3.05Å; F79-R82 PolarHBondContact O-N 3.34Å; F79-M83 HydrophobicContact CD1-CG 4.12Å; F79-M83 HydrophobicContact CD2-CE 4.41Å; F79-M83 HydrophobicContact CD2-CG 4.24Å; F79-M83 HydrophobicContact CE1-CG 3.68Å; F79-M83 HydrophobicContact CE2-CE 4Å; F79-M83 HydrophobicContact CE2-CG 3.8Å; F79-M83 HydrophobicContact CE2-SD 3.83Å; F79-M83 HydrophobicContact CG-CG 4.38Å; F79-M83 HydrophobicContact CZ-CG 3.51Å; F79-M83 HydrophobicContact CZ-SD 3.78Å; F79-M83 VanDerWaalsContact O-CG 3.31Å; F79-M83 WeakPolarHBondContact O-CG 3.29Å; F79-M83 PolarHBondContact O-N 2.77Å; F79-E99 HydrophobicContact CE2-CG 4.29Å; F79-F102 HydrophobicContact CE1-CD1 4.04Å; F79-F102 AromaticContact CE1-CE1 3.71Å; F79-F102 HydrophobicContact CE1-CE1 3.71Å; F79-F102 HydrophobicContact CE1-CE2 4.23Å; F79-F102 HydrophobicContact CE1-CG 4.45Å; F79-F102 AromaticContact CE1-CZ 3.82Å; F79-F102 HydrophobicContact CE1-CZ 3.82Å; F79-F102 AromaticContact CZ-CD1 3.89Å; F79-F102 HydrophobicContact CZ-CD1 3.89Å; F79-F102 HydrophobicContact CZ-CE1 4.05Å; F79-F102 HydrophobicContact CZ-CG 4.16Å; F79-F102 HydrophobicContact CZ-CZ 4.45Å
80W91.2Very high85.9Confident8 Ų857.9 Ų57.93%0.0327%0.266CS..Hα-helixtrans-60.2-45.6179.4-173.9-130.2000112.5E53 I57 I76 S77 R78 R82 M83 C84 R87 F102 V106 W153E53-W80 HydrophobicContact CB-CZ2 4.47Å; E53-W80 PolarHBondContact OE2-NE1 2.94Å; I57-W80 HydrophobicContact CD1-CB 3.69Å; I57-W80 HydrophobicContact CD1-CD2 3.35Å; I57-W80 HydrophobicContact CD1-CE3 3.71Å; I57-W80 HydrophobicContact CD1-CG 3.35Å; I57-W80 HydrophobicContact CD1-CZ3 4.44Å; I57-W80 HydrophobicContact CG1-CD2 3.68Å; I57-W80 HydrophobicContact CG1-CE3 3.5Å; I57-W80 HydrophobicContact CG1-CG 4.21Å; I57-W80 HydrophobicContact CG1-CH2 4.25Å; I57-W80 HydrophobicContact CG1-CZ2 4.41Å; I57-W80 HydrophobicContact CG1-CZ3 3.81Å; I76-W80 WeakPolarHBondContact O-CB 3.36Å; I76-W80 PolarHBondContact O-N 2.93Å; S77-W80 PolarHBondContact O-N 3.34Å; R78-W80 VanDerWaalsContact C-N 3.34Å; W80-R82 VanDerWaalsContact C-N 3.34Å; W80-R82 PolarHBondContact O-N 3.44Å; W80-M83 HydrophobicContact CE3-CB 4.15Å; W80-M83 CarbonylContact O-C 3.59Å; W80-M83 PolarHBondContact O-N 3.3Å; W80-M83 VanDerWaalsContact O-N 3.13Å; W80-C84 VanDerWaalsContact CD2-SG 3.57Å; W80-C84 WeakPolarHBondContact O-CB 3.39Å; W80-C84 PolarHBondContact O-N 3.39Å; W80-C84 PolarHBondContact O-SG 3.13Å; W80-R87 VanDerWaalsContact CH2-NH1 3.29Å; W80-F102 HydrophobicContact CE3-CE1 4.17Å; W80-F102 HydrophobicContact CE3-CZ 4.36Å; W80-F102 AromaticContact CZ3-CE1 3.89Å; W80-F102 HydrophobicContact CZ3-CE1 3.89Å; W80-F102 HydrophobicContact CZ3-CZ 4.09Å; W80-V106 HydrophobicContact CH2-CG1 3.93Å; W80-V106 HydrophobicContact CH2-CG2 4.45Å; W80-V106 HydrophobicContact CZ3-CG1 4.41Å; W80-V106 HydrophobicContact CZ3-CG2 4.18Å; W80-W153 AromaticContact CD1-CZ2 3.82Å; W80-W153 AromaticContact NE1-CZ2 3.67Å
81Y92Very high86.8Confident36 Ų3657.7 Ų57.714%0.14125%0.254CS..Hα-helixtrans-55.2-47174.3166.6-104.7000112.3S77 R78 F79 M83 C84 R85 W153 L157 I190 F192S77-Y81 PolarHBondContact O-N 3.45Å; R78-Y81 PolarHBondContact O-N 3.13Å; F79-Y81 PolarHBondContact O-N 3.05Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 2.94Å; Y81-C84 PolarHBondContact O-N 3.18Å; Y81-R85 WeakPolarHBondContact O-CB 3.25Å; Y81-R85 PolarHBondContact O-N 3.43Å; Y81-W153 HydrophobicContact CD2-CB 3.84Å; Y81-W153 HydrophobicContact CD2-CE3 4.09Å; Y81-W153 HydrophobicContact CG-CB 4.49Å; Y81-L157 HydrophobicContact CD2-CD1 4.22Å; Y81-L157 HydrophobicContact CD2-CD2 4.46Å; Y81-L157 HydrophobicContact CD2-CG 4.25Å; Y81-L157 HydrophobicContact CE2-CD1 4.14Å; Y81-L157 HydrophobicContact CE2-CD2 3.61Å; Y81-L157 HydrophobicContact CE2-CG 3.69Å; Y81-I190 HydrophobicContact CE1-CD1 4.38Å; Y81-I190 HydrophobicContact CE2-CD1 4.32Å; Y81-F192 AromaticContact CD1-CE1 3.99Å; Y81-F192 HydrophobicContact CD1-CE1 3.99Å; Y81-F192 HydrophobicContact CD1-CZ 4.16Å; Y81-F192 HydrophobicContact CD2-CE1 4.26Å; Y81-F192 AromaticContact CG-CE1 3.68Å; Y81-F192 HydrophobicContact CG-CE1 3.68Å; Y81-F192 HydrophobicContact CG-CZ 4.29Å
82R91.4Very high87.5Confident125 Ų12561.1 Ų61.147%0.47226%0.264SS..Hα-helixtrans-59.6-45.3175.5-177.2171.967.1-153.8-2.8111.5R78 F79 W80 R85 Y86 E99R78-R82 PolarHBondContact O-N 3.37Å; R78-R82 VanDerWaalsContact O-N 3.1Å; F79-R82 PolarHBondContact O-N 3.34Å; W80-R82 VanDerWaalsContact C-N 3.34Å; W80-R82 PolarHBondContact O-N 3.44Å; R82-R85 PolarHBondContact O-N 2.89Å; R82-Y86 PolarHBondContact O-N 3.32Å; R82-E99 IonicContact CZ-OE1 2.73Å; R82-E99 IonicContact NE-OE1 2.71Å; R82-E99 PolarHBondContact NE-OE1 2.98Å; R82-E99 IonicContact NE-OE2 3.84Å; R82-E99 IonicContact NH2-OE1 2.69Å; R82-E99 PolarHBondContact NH2-OE1 3.27Å
83M93.5Very high88.1Confident0 Ų062.9 Ų62.90%028%0.278CS..Hα-helixtrans-64.4-40.6178.6-65.6-5695.800112.1F79 W80 Y81 Y86 R87 V95 E99 F102 C103F79-M83 HydrophobicContact CD1-CG 4.12Å; F79-M83 HydrophobicContact CD2-CE 4.41Å; F79-M83 HydrophobicContact CD2-CG 4.24Å; F79-M83 HydrophobicContact CE1-CG 3.68Å; F79-M83 HydrophobicContact CE2-CE 4Å; F79-M83 HydrophobicContact CE2-CG 3.8Å; F79-M83 HydrophobicContact CE2-SD 3.83Å; F79-M83 HydrophobicContact CG-CG 4.38Å; F79-M83 HydrophobicContact CZ-CG 3.51Å; F79-M83 HydrophobicContact CZ-SD 3.78Å; F79-M83 VanDerWaalsContact O-CG 3.31Å; F79-M83 WeakPolarHBondContact O-CG 3.29Å; F79-M83 PolarHBondContact O-N 2.77Å; W80-M83 HydrophobicContact CE3-CB 4.15Å; W80-M83 CarbonylContact O-C 3.59Å; W80-M83 PolarHBondContact O-N 3.3Å; W80-M83 VanDerWaalsContact O-N 3.13Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 2.94Å; M83-Y86 PolarHBondContact O-N 2.85Å; M83-R87 WeakPolarHBondContact O-CB 3.46Å; M83-R87 WeakPolarHBondContact O-CG 3.31Å; M83-R87 PolarHBondContact O-N 3.16Å; M83-V95 HydrophobicContact CE-CG1 3.74Å; M83-V95 HydrophobicContact SD-CG1 4.43Å; M83-E99 HydrophobicContact CE-CB 3.84Å; M83-E99 HydrophobicContact CE-CG 3.79Å; M83-E99 WeakPolarHBondContact CE-OE1 3.32Å; M83-E99 HydrophobicContact SD-CB 3.75Å; M83-E99 HydrophobicContact SD-CG 4.02Å; M83-F102 HydrophobicContact CB-CD1 4.4Å; M83-F102 HydrophobicContact CB-CE1 4.12Å; M83-F102 HydrophobicContact CG-CD1 3.8Å; M83-F102 HydrophobicContact CG-CE1 3.76Å; M83-F102 HydrophobicContact SD-CD1 3.93Å; M83-F102 HydrophobicContact SD-CE1 4.49Å; M83-C103 VanDerWaalsContact SD-SG 3.6Å
84C94.7Very high88.6Confident0 Ų060.6 Ų60.60%027%0.269CS..Hα-helixtrans-64-42.5175.3-76.30000111.9W80 Y81 Y86 R87 L88 I119 W153 L157W80-C84 VanDerWaalsContact CD2-SG 3.57Å; W80-C84 WeakPolarHBondContact O-CB 3.39Å; W80-C84 PolarHBondContact O-N 3.39Å; W80-C84 PolarHBondContact O-SG 3.13Å; Y81-C84 PolarHBondContact O-N 3.18Å; C84-Y86 VanDerWaalsContact C-N 3.31Å; C84-Y86 PolarHBondContact O-N 3.31Å; C84-R87 PolarHBondContact O-N 3.23Å; C84-L88 WeakPolarHBondContact O-CB 3.15Å; C84-L88 PolarHBondContact O-N 3.01Å; C84-I119 HydrophobicContact CB-CD1 3.98Å; C84-I119 HydrophobicContact CB-CG1 3.75Å; C84-W153 HydrophobicContact CB-CE3 4.41Å; C84-W153 HydrophobicContact CB-CH2 4.02Å; C84-W153 HydrophobicContact CB-CZ3 3.58Å; C84-W153 VanDerWaalsContact SG-CH2 3.55Å; C84-L157 HydrophobicContact CB-CD1 4.41Å
85R94.4Very high89.6Confident81 Ų8154.4 Ų54.431%0.30624%0.241SC..Hα-helixtrans-60.5-41.7174.8-165.5169.5-177-104.7-2.1111.3Y81 R82 Y89 L157 E160Y81-R85 WeakPolarHBondContact O-CB 3.25Å; Y81-R85 PolarHBondContact O-N 3.43Å; R82-R85 PolarHBondContact O-N 2.89Å; R85-Y89 HydrophobicContact CG-CD2 3.84Å; R85-Y89 HydrophobicContact CG-CE2 3.84Å; R85-Y89 VanDerWaalsContact O-CD2 3.27Å; R85-Y89 WeakPolarHBondContact O-CD2 3.32Å; R85-Y89 PolarHBondContact O-N 2.95Å; R85-Y89 VanDerWaalsContact O-N 3.13Å; R85-L157 HydrophobicContact CB-CD2 4.11Å; R85-L157 HydrophobicContact CG-CD2 3.86Å; R85-E160 IonicContact CZ-OE1 3.61Å; R85-E160 IonicContact NE-OE1 3.68Å; R85-E160 PolarHBondContact NE-OE1 3.16Å; R85-E160 IonicContact NE-OE2 3.62Å; R85-E160 IonicContact NH2-OE1 2.82Å; R85-E160 PolarHBondContact NH2-OE1 3.4Å
86Y94.9Very high89.8Confident4 Ų455.4 Ų55.42%0.01625%0.246CC..Hα-helixtrans-64-46.6171.2169.2-103.5000112.9R82 M83 C84 L88 Y89 R90 H91 L94 V95 Y100 C103R82-Y86 PolarHBondContact O-N 3.32Å; M83-Y86 PolarHBondContact O-N 2.85Å; C84-Y86 VanDerWaalsContact C-N 3.31Å; C84-Y86 PolarHBondContact O-N 3.31Å; Y86-L88 PolarHBondContact O-N 3.4Å; Y86-Y89 PolarHBondContact O-N 2.79Å; Y86-R90 VanDerWaalsContact O-CA 3.25Å; Y86-R90 WeakPolarHBondContact O-CA 3.44Å; Y86-R90 PolarHBondContact O-N 2.91Å; Y86-H91 VanDerWaalsContact CD2-O 3.31Å; Y86-H91 WeakPolarHBondContact CD2-O 3.42Å; Y86-L94 HydrophobicContact CD2-CB 4.46Å; Y86-V95 VanDerWaalsContact CB-CG1 3.48Å; Y86-V95 HydrophobicContact CD1-CG1 4.09Å; Y86-V95 HydrophobicContact CD1-CG2 4.04Å; Y86-V95 HydrophobicContact CD2-CB 4.35Å; Y86-V95 HydrophobicContact CD2-CG1 3.96Å; Y86-V95 HydrophobicContact CD2-CG2 3.47Å; Y86-V95 VanDerWaalsContact CD2-CG2 3.47Å; Y86-V95 HydrophobicContact CE1-CG2 4.14Å; Y86-V95 HydrophobicContact CE2-CG2 3.59Å; Y86-V95 HydrophobicContact CG-CB 4.29Å; Y86-V95 HydrophobicContact CG-CG1 3.53Å; Y86-V95 HydrophobicContact CG-CG2 3.72Å; Y86-Y100 HydrophobicContact CE1-CD2 4.07Å; Y86-Y100 AromaticContact CZ-CD2 3.83Å; Y86-Y100 WeakPolarHBondContact OH-CD2 3.39Å; Y86-Y100 VanDerWaalsContact OH-CE2 3.29Å; Y86-Y100 WeakPolarHBondContact OH-CE2 3.39Å; Y86-C103 HydrophobicContact CD1-CB 3.86Å; Y86-C103 HydrophobicContact CE1-CB 3.87Å
87R95.3Very high89.9Confident1 Ų161 Ų610%0.00428%0.277CS..Hα-helixtrans-60.3-34.8-179.6-76.417463.5-142.2-5.5112.1W80 M83 C84 C103 E107 D117 I119 R123W80-R87 VanDerWaalsContact CH2-NH1 3.29Å; M83-R87 WeakPolarHBondContact O-CB 3.46Å; M83-R87 WeakPolarHBondContact O-CG 3.31Å; M83-R87 PolarHBondContact O-N 3.16Å; C84-R87 PolarHBondContact O-N 3.23Å; R87-C103 HydrophobicContact CG-CB 3.89Å; R87-E107 IonicContact CZ-OE1 3.52Å; R87-E107 VanDerWaalsContact CZ-OE1 3.22Å; R87-E107 IonicContact NE-OE1 2.66Å; R87-E107 PolarHBondContact NE-OE1 2.91Å; R87-E107 IonicContact NH2-OE1 2.85Å; R87-E107 PolarHBondContact NH2-OE1 2.81Å; R87-D117 IonicContact CZ-OD1 3.85Å; R87-D117 IonicContact CZ-OD2 3.95Å; R87-D117 VanDerWaalsContact CZ-OD2 3.25Å; R87-D117 IonicContact NH1-OD2 3.11Å; R87-D117 PolarHBondContact NH1-OD2 3.46Å; R87-D117 IonicContact NH2-OD1 3.69Å; R87-D117 PolarHBondContact NH2-OD1 3.36Å; R87-D117 VanDerWaalsContact NH2-OD1 3.08Å; R87-D117 IonicContact NH2-OD2 3.25Å; R87-D117 PolarHBondContact NH2-OD2 3.37Å; R87-I119 HydrophobicContact CB-CG2 3.74Å; R87-R123 WeakPolarHBondContact O-CD 3.29Å
88L95.3Very high89.9Confident5 Ų561.6 Ų61.63%0.02628%0.276CS..Hα-helixtrans-69.4-54.2176.7-179.461.8000112.3C84 Y86 I119 A122 R123 L126 L157 M158 I161C84-L88 WeakPolarHBondContact O-CB 3.15Å; C84-L88 PolarHBondContact O-N 3.01Å; Y86-L88 PolarHBondContact O-N 3.4Å; L88-I119 HydrophobicContact CB-CG2 4.31Å; L88-A122 HydrophobicContact CD1-CB 4.02Å; L88-R123 HydrophobicContact CD1-CB 4.44Å; L88-L126 HydrophobicContact CD1-CD2 4.34Å; L88-L157 HydrophobicContact CD2-CB 4.4Å; L88-M158 HydrophobicContact CD2-CE 3.95Å; L88-I161 HydrophobicContact CD1-CD1 4.11Å; L88-I161 HydrophobicContact CD2-CD1 3.62Å; L88-I161 HydrophobicContact CD2-CG1 4.45Å; L88-I161 HydrophobicContact CG-CD1 4.18Å
89Y91.9Very high90Very high46 Ų4655.5 Ų55.518%0.1825%0.253CS..Hα-helixtrans-91.4-15.7-173.5-64.3-64.1000115.2R85 Y86 H91 I161R85-Y89 HydrophobicContact CG-CD2 3.84Å; R85-Y89 HydrophobicContact CG-CE2 3.84Å; R85-Y89 VanDerWaalsContact O-CD2 3.27Å; R85-Y89 WeakPolarHBondContact O-CD2 3.32Å; R85-Y89 PolarHBondContact O-N 2.95Å; R85-Y89 VanDerWaalsContact O-N 3.13Å; Y86-Y89 PolarHBondContact O-N 2.79Å; Y89-H91 PolarHBondContact O-N 3.2Å; Y89-I161 HydrophobicContact CE1-CG1 4.2Å; Y89-I161 WeakPolarHBondContact OH-CG1 3.41Å
90R88.6Confident90Very high87 Ų8758.2 Ų58.233%0.32826%0.263SS..  trans55.114.5-176.1-68.4-75.6-175.6167.6-0.9115.7Y86 R92 E107Y86-R90 VanDerWaalsContact O-CA 3.25Å; Y86-R90 WeakPolarHBondContact O-CA 3.44Å; Y86-R90 PolarHBondContact O-N 2.91Å; R90-R92 PolarHBondContact O-N 3.15Å; R90-E107 IonicContact NH2-OE2 3.19Å
91H86.5Confident90Very high117 Ų11760.8 Ų60.854%0.54228%0.28SS..  trans-72.8108.9176.1-65.5-47.6000111.9Y86 Y89 I93 L94Y86-H91 VanDerWaalsContact CD2-O 3.31Å; Y86-H91 WeakPolarHBondContact CD2-O 3.42Å; Y89-H91 PolarHBondContact O-N 3.2Å; H91-I93 PolarHBondContact O-N 2.86Å; H91-L94 HydrophobicContact CB-CD1 4.05Å; H91-L94 HydrophobicContact CB-CG 4.1Å; H91-L94 WeakPolarHBondContact O-CB 3.27Å; H91-L94 PolarHBondContact O-N 2.97Å
92R84.7Confident90Very high116 Ų11659 Ų5944%0.43827%0.273SS..G310 helixtrans-56-24.3180-80.6-64.1-161.1138.95.6115.1R90 L94 V95 Y100R90-R92 PolarHBondContact O-N 3.15Å; R92-L94 PolarHBondContact O-N 3.5Å; R92-V95 PolarHBondContact O-N 3.35Å; R92-Y100 VanDerWaalsContact NH1-CB 3.31Å; R92-Y100 VanDerWaalsContact NH1-CD2 3.31Å; R92-Y100 VanDerWaalsContact NH2-CD1 3.35Å; R92-Y100 PolarHBondContact NH2-OH 3.5Å
93I85.5Confident90.1Very high167 Ų16753.1 Ų53.186%0.85625%0.251SS*.G310 helixtrans-64.6-20.5178.7-63.6168.8000111.9H91H91-I93 PolarHBondContact O-N 2.86Å
94L82.1Confident90.1Very high55 Ų5554.7 Ų54.729%0.28826%0.261SS..G310 helixtrans-81.3-13.3-176.3-60.3177.4000114.3Y86 H91 R92Y86-L94 HydrophobicContact CD2-CB 4.46Å; H91-L94 HydrophobicContact CB-CD1 4.05Å; H91-L94 HydrophobicContact CB-CG 4.1Å; H91-L94 WeakPolarHBondContact O-CB 3.27Å; H91-L94 PolarHBondContact O-N 2.97Å; R92-L94 PolarHBondContact O-N 3.5Å
95V87.3Confident90.1Very high17 Ų1757.9 Ų57.910%0.10327%0.274CS..SBendtrans-142.7148.9-171.1-65.70000112.1M83 Y86 R92 E99M83-V95 HydrophobicContact CE-CG1 3.74Å; M83-V95 HydrophobicContact SD-CG1 4.43Å; Y86-V95 VanDerWaalsContact CB-CG1 3.48Å; Y86-V95 HydrophobicContact CD1-CG1 4.09Å; Y86-V95 HydrophobicContact CD1-CG2 4.04Å; Y86-V95 HydrophobicContact CD2-CB 4.35Å; Y86-V95 HydrophobicContact CD2-CG1 3.96Å; Y86-V95 HydrophobicContact CD2-CG2 3.47Å; Y86-V95 VanDerWaalsContact CD2-CG2 3.47Å; Y86-V95 HydrophobicContact CE1-CG2 4.14Å; Y86-V95 HydrophobicContact CE2-CG2 3.59Å; Y86-V95 HydrophobicContact CG-CB 4.29Å; Y86-V95 HydrophobicContact CG-CG1 3.53Å; Y86-V95 HydrophobicContact CG-CG2 3.72Å; R92-V95 PolarHBondContact O-N 3.35Å; V95-E99 VanDerWaalsContact CA-OE2 3.3Å; V95-E99 WeakPolarHBondContact CA-OE2 3.42Å; V95-E99 HydrophobicContact CB-CB 3.7Å; V95-E99 HydrophobicContact CG1-CB 4.08Å
96D88.4Confident90.1Very high82 Ų8254 Ų5444%0.43926%0.26SS..  trans-79.3175.7168.870.542.4000112.5N98 E99 Y100D96-N98 VanDerWaalsContact C-N 3.28Å; D96-N98 PolarHBondContact O-N 3.16Å; D96-N98 WeakPolarHBondContact OD1-CA 3.31Å; D96-N98 VanDerWaalsContact OD1-CB 3.3Å; D96-N98 WeakPolarHBondContact OD1-CB 3.31Å; D96-N98 PolarHBondContact OD1-N 2.82Å; D96-E99 PolarHBondContact N-OE2 2.87Å; D96-E99 VanDerWaalsContact N-OE2 3.17Å; D96-E99 PolarHBondContact O-N 3.33Å; D96-E99 WeakPolarHBondContact OD1-CG 3.32Å; D96-E99 PolarHBondContact OD1-N 3.19Å; D96-Y100 WeakPolarHBondContact O-CB 3.38Å; D96-Y100 PolarHBondContact O-N 2.9Å
97D86.6Confident90.1Very high126 Ų12655.1 Ų55.167%0.67427%0.265SS*.Hα-helixtrans-62.6-34-178.9-75.8-29000113.2V101D97-V101 VanDerWaalsContact O-CG2 3.31Å; D97-V101 WeakPolarHBondContact O-CG2 3.5Å; D97-V101 PolarHBondContact O-N 2.75Å; D97-V101 VanDerWaalsContact O-N 3.17Å
98N86.4Confident90Very high66 Ų6660.2 Ų60.235%0.35329%0.289SS..Hα-helixtrans-69.3-53.9176.2-69.5-40.8000108.5Y69 D96 Y100 V101 F102Y69-N98 HydrophobicContact CE1-CB 3.77Å; Y69-N98 HydrophobicContact CE2-CB 4.4Å; Y69-N98 VanDerWaalsContact OH-CA 3.29Å; Y69-N98 WeakPolarHBondContact OH-CA 3.43Å; Y69-N98 WeakPolarHBondContact OH-CB 3.33Å; Y69-N98 PolarHBondContact OH-O 3.25Å; D96-N98 VanDerWaalsContact C-N 3.28Å; D96-N98 PolarHBondContact O-N 3.16Å; D96-N98 WeakPolarHBondContact OD1-CA 3.31Å; D96-N98 VanDerWaalsContact OD1-CB 3.3Å; D96-N98 WeakPolarHBondContact OD1-CB 3.31Å; D96-N98 PolarHBondContact OD1-N 2.82Å; N98-Y100 PolarHBondContact O-N 3.14Å; N98-Y100 VanDerWaalsContact O-N 3.17Å; N98-V101 WeakPolarHBondContact O-CA 3.44Å; N98-V101 WeakPolarHBondContact O-CB 3.4Å; N98-V101 PolarHBondContact O-N 3.45Å; N98-F102 PolarHBondContact O-N 2.84Å
99E89.6Confident89.9Confident13 Ų1361.9 Ų61.96%0.06130%0.295CS..Hα-helixtrans-54.2-37.8178.1-70.9-174.3138.700113F79 R82 M83 V95 D96 F102 C103F79-E99 HydrophobicContact CE2-CG 4.29Å; R82-E99 IonicContact CZ-OE1 2.73Å; R82-E99 IonicContact NE-OE1 2.71Å; R82-E99 PolarHBondContact NE-OE1 2.98Å; R82-E99 IonicContact NE-OE2 3.84Å; R82-E99 IonicContact NH2-OE1 2.69Å; R82-E99 PolarHBondContact NH2-OE1 3.27Å; M83-E99 HydrophobicContact CE-CB 3.84Å; M83-E99 HydrophobicContact CE-CG 3.79Å; M83-E99 WeakPolarHBondContact CE-OE1 3.32Å; M83-E99 HydrophobicContact SD-CB 3.75Å; M83-E99 HydrophobicContact SD-CG 4.02Å; V95-E99 VanDerWaalsContact CA-OE2 3.3Å; V95-E99 WeakPolarHBondContact CA-OE2 3.42Å; V95-E99 HydrophobicContact CB-CB 3.7Å; V95-E99 HydrophobicContact CG1-CB 4.08Å; D96-E99 PolarHBondContact N-OE2 2.87Å; D96-E99 VanDerWaalsContact N-OE2 3.17Å; D96-E99 PolarHBondContact O-N 3.33Å; D96-E99 WeakPolarHBondContact OD1-CG 3.32Å; D96-E99 PolarHBondContact OD1-N 3.19Å; E99-F102 WeakPolarHBondContact O-CB 3.34Å; E99-F102 PolarHBondContact O-N 3.42Å; E99-C103 PolarHBondContact O-N 2.91Å; E99-C103 PolarHBondContact O-SG 3.2Å
100Y90.5Very high90Very high70 Ų7059.7 Ų59.728%0.27529%0.286SS..Hα-helixtrans-58.8-47.5170.6172.9-103.6000113.3Y86 R92 D96 N98 F102 C103 T104Y86-Y100 HydrophobicContact CE1-CD2 4.07Å; Y86-Y100 AromaticContact CZ-CD2 3.83Å; Y86-Y100 WeakPolarHBondContact OH-CD2 3.39Å; Y86-Y100 VanDerWaalsContact OH-CE2 3.29Å; Y86-Y100 WeakPolarHBondContact OH-CE2 3.39Å; R92-Y100 VanDerWaalsContact NH1-CB 3.31Å; R92-Y100 VanDerWaalsContact NH1-CD2 3.31Å; R92-Y100 VanDerWaalsContact NH2-CD1 3.35Å; R92-Y100 PolarHBondContact NH2-OH 3.5Å; D96-Y100 WeakPolarHBondContact O-CB 3.38Å; D96-Y100 PolarHBondContact O-N 2.9Å; N98-Y100 PolarHBondContact O-N 3.14Å; N98-Y100 VanDerWaalsContact O-N 3.17Å; Y100-F102 VanDerWaalsContact C-N 3.27Å; Y100-F102 PolarHBondContact O-N 2.89Å; Y100-C103 PolarHBondContact O-N 3.39Å; Y100-T104 WeakPolarHBondContact O-CB 3.23Å; Y100-T104 PolarHBondContact O-N 3.33Å; Y100-T104 PolarHBondContact O-OG1 3.35Å
101V90.3Very high90.2Very high62 Ų6263.6 Ų63.638%0.37631%0.306SS..Hα-helixtrans-61.5-39.3176.9171.30000110.5L64 D97 N98 T104 K105L64-V101 HydrophobicContact CD2-CG1 3.86Å; D97-V101 VanDerWaalsContact O-CG2 3.31Å; D97-V101 WeakPolarHBondContact O-CG2 3.5Å; D97-V101 PolarHBondContact O-N 2.75Å; D97-V101 VanDerWaalsContact O-N 3.17Å; N98-V101 WeakPolarHBondContact O-CA 3.44Å; N98-V101 WeakPolarHBondContact O-CB 3.4Å; N98-V101 PolarHBondContact O-N 3.45Å; V101-T104 PolarHBondContact O-N 2.87Å; V101-K105 PolarHBondContact O-N 3.24Å
102F92.3Very high90.3Very high0 Ų062.5 Ų62.50%031%0.307CS..Hα-helixtrans-59.3-52.6174.2170.6-92.4000111.4I57 V60 L61 L64 Y69 F79 W80 M83 N98 E99 Y100 T104 K105 V106I57-F102 HydrophobicContact CG2-CE2 4.43Å; I57-F102 HydrophobicContact CG2-CZ 4.08Å; V60-F102 HydrophobicContact CB-CD2 4.38Å; V60-F102 HydrophobicContact CB-CE2 3.91Å; V60-F102 HydrophobicContact CG1-CD2 3.63Å; V60-F102 HydrophobicContact CG1-CE2 3.65Å; L61-F102 HydrophobicContact CD2-CD2 3.73Å; L61-F102 HydrophobicContact CD2-CE2 3.72Å; L61-F102 HydrophobicContact CG-CD2 4.28Å; L61-F102 HydrophobicContact CG-CE2 3.79Å; L64-F102 HydrophobicContact CD1-CB 3.91Å; L64-F102 HydrophobicContact CD1-CD2 3.73Å; L64-F102 HydrophobicContact CD1-CG 4.32Å; Y69-F102 HydrophobicContact CE1-CB 4.18Å; F79-F102 HydrophobicContact CE1-CD1 4.04Å; F79-F102 AromaticContact CE1-CE1 3.71Å; F79-F102 HydrophobicContact CE1-CE1 3.71Å; F79-F102 HydrophobicContact CE1-CE2 4.23Å; F79-F102 HydrophobicContact CE1-CG 4.45Å; F79-F102 AromaticContact CE1-CZ 3.82Å; F79-F102 HydrophobicContact CE1-CZ 3.82Å; F79-F102 AromaticContact CZ-CD1 3.89Å; F79-F102 HydrophobicContact CZ-CD1 3.89Å; F79-F102 HydrophobicContact CZ-CE1 4.05Å; F79-F102 HydrophobicContact CZ-CG 4.16Å; F79-F102 HydrophobicContact CZ-CZ 4.45Å; W80-F102 HydrophobicContact CE3-CE1 4.17Å; W80-F102 HydrophobicContact CE3-CZ 4.36Å; W80-F102 AromaticContact CZ3-CE1 3.89Å; W80-F102 HydrophobicContact CZ3-CE1 3.89Å; W80-F102 HydrophobicContact CZ3-CZ 4.09Å; M83-F102 HydrophobicContact CB-CD1 4.4Å; M83-F102 HydrophobicContact CB-CE1 4.12Å; M83-F102 HydrophobicContact CG-CD1 3.8Å; M83-F102 HydrophobicContact CG-CE1 3.76Å; M83-F102 HydrophobicContact SD-CD1 3.93Å; M83-F102 HydrophobicContact SD-CE1 4.49Å; N98-F102 PolarHBondContact O-N 2.84Å; E99-F102 WeakPolarHBondContact O-CB 3.34Å; E99-F102 PolarHBondContact O-N 3.42Å; Y100-F102 VanDerWaalsContact C-N 3.27Å; Y100-F102 PolarHBondContact O-N 2.89Å; F102-T104 VanDerWaalsContact C-N 3.27Å; F102-T104 PolarHBondContact O-N 3.48Å; F102-K105 PolarHBondContact O-N 2.9Å; F102-V106 HydrophobicContact CD1-CG2 4.31Å; F102-V106 HydrophobicContact CE1-CG2 3.8Å; F102-V106 HydrophobicContact CE2-CG2 4.24Å; F102-V106 HydrophobicContact CZ-CG2 3.74Å; F102-V106 WeakPolarHBondContact O-CG2 3.26Å; F102-V106 PolarHBondContact O-N 2.85Å
103C93.9Very high90.7Very high0 Ų057.7 Ų57.70%029%0.29CS..Hα-helixtrans-60.6-37.4178.2-69.10000112.4M83 Y86 R87 E99 Y100 V106 E107M83-C103 VanDerWaalsContact SD-SG 3.6Å; Y86-C103 HydrophobicContact CD1-CB 3.86Å; Y86-C103 HydrophobicContact CE1-CB 3.87Å; R87-C103 HydrophobicContact CG-CB 3.89Å; E99-C103 PolarHBondContact O-N 2.91Å; E99-C103 PolarHBondContact O-SG 3.2Å; Y100-C103 PolarHBondContact O-N 3.39Å; C103-V106 WeakPolarHBondContact O-CB 3.43Å; C103-V106 PolarHBondContact O-N 3.44Å; C103-E107 WeakPolarHBondContact O-CG 3.27Å; C103-E107 PolarHBondContact O-N 3.04Å; C103-E107 VanDerWaalsContact O-N 3.09Å
104T93.4Very high91Very high34 Ų3450.4 Ų50.421%0.20925%0.253CS..Hα-helixtrans-63-44.8176.2-56.90000111.3Y100 V101 F102 V106 E107 E108Y100-T104 WeakPolarHBondContact O-CB 3.23Å; Y100-T104 PolarHBondContact O-N 3.33Å; Y100-T104 PolarHBondContact O-OG1 3.35Å; V101-T104 PolarHBondContact O-N 2.87Å; F102-T104 VanDerWaalsContact C-N 3.27Å; F102-T104 PolarHBondContact O-N 3.48Å; T104-V106 VanDerWaalsContact C-N 3.33Å; T104-V106 PolarHBondContact O-N 3.14Å; T104-E107 PolarHBondContact O-N 3.09Å; T104-E108 WeakPolarHBondContact O-CG 3.23Å; T104-E108 PolarHBondContact O-N 3.14Å
105K93.2Very high91.6Very high66 Ų6647.9 Ų47.929%0.28724%0.24SC..Hα-helixtrans-64.7-34.5176-75.5-159.7-179.4-1720113.6V60 D63 L64 V101 F102 E108 Y109V60-K105 HydrophobicContact CG1-CB 3.61Å; V60-K105 HydrophobicContact CG1-CD 4.43Å; D63-K105 PolarHBondContact O-NZ 3.31Å; L64-K105 HydrophobicContact CD2-CD 3.67Å; L64-K105 VanDerWaalsContact CD2-CE 3.47Å; L64-K105 HydrophobicContact CG-CD 3.97Å; V101-K105 PolarHBondContact O-N 3.24Å; F102-K105 PolarHBondContact O-N 2.9Å; K105-E108 PolarHBondContact O-N 3.5Å; K105-Y109 WeakPolarHBondContact O-CB 3.49Å; K105-Y109 PolarHBondContact O-N 3.33Å
106V94.9Very high91.9Very high0 Ų047.1 Ų47.10%024%0.235CC..Hα-helixtrans-60-49.5172.5169.50000110.2L56 V60 W80 F102 C103 T104 E108 Y109 L110L56-V106 HydrophobicContact CD2-CG1 4.22Å; V60-V106 HydrophobicContact CB-CG2 4.33Å; V60-V106 HydrophobicContact CG1-CG2 4.13Å; V60-V106 HydrophobicContact CG2-CG2 4.01Å; W80-V106 HydrophobicContact CH2-CG1 3.93Å; W80-V106 HydrophobicContact CH2-CG2 4.45Å; W80-V106 HydrophobicContact CZ3-CG1 4.41Å; W80-V106 HydrophobicContact CZ3-CG2 4.18Å; F102-V106 HydrophobicContact CD1-CG2 4.31Å; F102-V106 HydrophobicContact CE1-CG2 3.8Å; F102-V106 HydrophobicContact CE2-CG2 4.24Å; F102-V106 HydrophobicContact CZ-CG2 3.74Å; F102-V106 WeakPolarHBondContact O-CG2 3.26Å; F102-V106 PolarHBondContact O-N 2.85Å; C103-V106 WeakPolarHBondContact O-CB 3.43Å; C103-V106 PolarHBondContact O-N 3.44Å; T104-V106 VanDerWaalsContact C-N 3.33Å; T104-V106 PolarHBondContact O-N 3.14Å; V106-E108 PolarHBondContact O-N 3.47Å; V106-Y109 PolarHBondContact O-N 3.44Å; V106-L110 HydrophobicContact CG1-CD1 4.2Å; V106-L110 WeakPolarHBondContact O-CG 3.34Å; V106-L110 PolarHBondContact O-N 2.99Å
107E94.9Very high92.2Very high28 Ų2843.3 Ų43.313%0.13122%0.215CC..Hα-helixtrans-62.3-41.9178.3-64.9-7314300112R87 R90 C103 T104 L110 K111 R123R87-E107 IonicContact CZ-OE1 3.52Å; R87-E107 VanDerWaalsContact CZ-OE1 3.22Å; R87-E107 IonicContact NE-OE1 2.66Å; R87-E107 PolarHBondContact NE-OE1 2.91Å; R87-E107 IonicContact NH2-OE1 2.85Å; R87-E107 PolarHBondContact NH2-OE1 2.81Å; R90-E107 IonicContact NH2-OE2 3.19Å; C103-E107 WeakPolarHBondContact O-CG 3.27Å; C103-E107 PolarHBondContact O-N 3.04Å; C103-E107 VanDerWaalsContact O-N 3.09Å; T104-E107 PolarHBondContact O-N 3.09Å; E107-L110 PolarHBondContact O-N 3.32Å; E107-K111 VanDerWaalsContact O-CB 3.31Å; E107-K111 WeakPolarHBondContact O-CB 3.14Å; E107-K111 PolarHBondContact O-N 2.96Å; E107-R123 IonicContact OE2-CZ 3.2Å; E107-R123 IonicContact OE2-NH2 3.97Å; E107-R123 PolarHBondContact OE2-NH2 3.41Å
108E93.5Very high92.6Very high108 Ų10837.5 Ų37.551%0.50518%0.183SC..Hα-helixtrans-60.7-44.9174.3-73.8172.9-179.500111.7T104 K105 V106 K111 V112T104-E108 WeakPolarHBondContact O-CG 3.23Å; T104-E108 PolarHBondContact O-N 3.14Å; K105-E108 PolarHBondContact O-N 3.5Å; V106-E108 PolarHBondContact O-N 3.47Å; E108-K111 PolarHBondContact O-N 3.38Å; E108-V112 WeakPolarHBondContact O-CB 3.24Å; E108-V112 VanDerWaalsContact O-CG2 3.23Å; E108-V112 WeakPolarHBondContact O-CG2 3.47Å; E108-V112 PolarHBondContact O-N 3.07Å
109Y92.5Very high93.1Very high39 Ų3934.4 Ų34.415%0.15317%0.167CC..Hα-helixtrans-60.7-48.3177.7-176.1-80.7000111.3L56 L59 K105 V106 V112 N113 L115 S218L56-Y109 HydrophobicContact CD1-CD1 3.21Å; L56-Y109 HydrophobicContact CD1-CD2 4.39Å; L56-Y109 HydrophobicContact CD1-CE1 3.62Å; L56-Y109 HydrophobicContact CD1-CG 3.65Å; L59-Y109 HydrophobicContact CD1-CE2 4.37Å; K105-Y109 WeakPolarHBondContact O-CB 3.49Å; K105-Y109 PolarHBondContact O-N 3.33Å; V106-Y109 PolarHBondContact O-N 3.44Å; Y109-V112 PolarHBondContact O-N 3Å; Y109-N113 PolarHBondContact O-N 2.94Å; Y109-N113 VanDerWaalsContact O-N 3.1Å; Y109-N113 PolarHBondContact O-ND2 3.38Å; Y109-L115 HydrophobicContact CE1-CD1 4.15Å; Y109-S218 PolarHBondContact OH-OG 2.87Å
110L94.3Very high93.4Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-58.5-50178.1-71.8176.4000110.6L56 V106 E107 V112 N113 N114 L115 D117L56-L110 HydrophobicContact CD2-CD2 3.92Å; L56-L110 HydrophobicContact CD2-CG 4.31Å; V106-L110 HydrophobicContact CG1-CD1 4.2Å; V106-L110 WeakPolarHBondContact O-CG 3.34Å; V106-L110 PolarHBondContact O-N 2.99Å; E107-L110 PolarHBondContact O-N 3.32Å; L110-V112 PolarHBondContact O-N 2.67Å; L110-N113 CarbonylContact O-C 3.55Å; L110-N113 PolarHBondContact O-N 2.93Å; L110-N114 PolarHBondContact O-N 3.41Å; L110-L115 WeakPolarHBondContact CB-O 3.33Å; L110-L115 HydrophobicContact CD2-CB 3.66Å; L110-L115 PolarHBondContact O-N 2.74Å; L110-D117 HydrophobicContact CD1-CB 4.36Å
111K92.9Very high93.7Very high170 Ų17031 Ų3174%0.73915%0.154SC*.Hα-helixtrans-60.2-46.3178.5-174.6178.2-178.3178.70112.7E107 E108 N113 N114E107-K111 VanDerWaalsContact O-CB 3.31Å; E107-K111 WeakPolarHBondContact O-CB 3.14Å; E107-K111 PolarHBondContact O-N 2.96Å; E108-K111 PolarHBondContact O-N 3.38Å; K111-N113 VanDerWaalsContact C-N 3.26Å; K111-N113 PolarHBondContact O-N 3.35Å; K111-N114 PolarHBondContact O-N 3.23Å; K111-N114 PolarHBondContact O-OD1 3.35Å
112V89.9Confident94Very high94 Ų9428.3 Ų28.357%0.5714%0.138SC*.Hα-helixtrans-64.5-32.3-178.8168.70000111.5E108 Y109 L110 K216E108-V112 WeakPolarHBondContact O-CB 3.24Å; E108-V112 VanDerWaalsContact O-CG2 3.23Å; E108-V112 WeakPolarHBondContact O-CG2 3.47Å; E108-V112 PolarHBondContact O-N 3.07Å; Y109-V112 PolarHBondContact O-N 3Å; L110-V112 PolarHBondContact O-N 2.67Å; V112-K216 WeakPolarHBondContact O-CE 3.43Å; V112-K216 PolarHBondContact O-NZ 3.17Å
113N91.3Very high94.2Very high15 Ų1529.9 Ų29.98%0.0814%0.144CC..THydrogen-bonded Turntrans-96.25.8-179.7-66.3-96.3000113.4Y109 L110 K111 L115 N214 K216 S218Y109-N113 PolarHBondContact O-N 2.94Å; Y109-N113 VanDerWaalsContact O-N 3.1Å; Y109-N113 PolarHBondContact O-ND2 3.38Å; L110-N113 CarbonylContact O-C 3.55Å; L110-N113 PolarHBondContact O-N 2.93Å; K111-N113 VanDerWaalsContact C-N 3.26Å; K111-N113 PolarHBondContact O-N 3.35Å; N113-L115 VanDerWaalsContact C-N 3.25Å; N113-L115 HydrophobicContact CB-CD1 3.76Å; N113-L115 HydrophobicContact CB-CG 3.85Å; N113-L115 PolarHBondContact O-N 2.85Å; N113-N214 PolarHBondContact O-ND2 3.49Å; N113-K216 PolarHBondContact OD1-O 3.34Å; N113-K216 VanDerWaalsContact OD1-O 3.05Å; N113-S218 PolarHBondContact OD1-OG 3.03Å
114N92.8Very high94.3Very high14 Ų1431.8 Ų31.88%0.07515%0.151CC..THydrogen-bonded Turntrans51.444.7-172.2-61.710.5000111.9T44 E45 T46 L110 K111 N214 K216T44-N114 PolarHBondContact OG1-ND2 3.43Å; E45-N114 VanDerWaalsContact CA-O 3.28Å; E45-N114 WeakPolarHBondContact CA-O 3.15Å; T46-N114 PolarHBondContact N-O 3.36Å; L110-N114 PolarHBondContact O-N 3.41Å; K111-N114 PolarHBondContact O-N 3.23Å; K111-N114 PolarHBondContact O-OD1 3.35Å; N114-N214 PolarHBondContact O-ND2 3.46Å; N114-K216 PolarHBondContact OD1-NZ 3.43Å
115L94.3Very high94.5Very high1 Ų130.5 Ų30.51%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-106.6145.8179.1-66.8173.9000110.6T46 Y109 L110 N113 D217T46-L115 WeakPolarHBondContact O-CA 3.49Å; Y109-L115 HydrophobicContact CE1-CD1 4.15Å; L110-L115 WeakPolarHBondContact CB-O 3.33Å; L110-L115 HydrophobicContact CD2-CB 3.66Å; L110-L115 PolarHBondContact O-N 2.74Å; N113-L115 VanDerWaalsContact C-N 3.25Å; N113-L115 HydrophobicContact CB-CD1 3.76Å; N113-L115 HydrophobicContact CB-CG 3.85Å; N113-L115 PolarHBondContact O-N 2.85Å; L115-D217 HydrophobicContact CD2-CB 4.15Å
116V94.2Very high94.6Very high2 Ų228.6 Ų28.61%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-124136.2170.4-69.10000109.7E45 T46 Y47 I48 L120 I121E45-V116 HydrophobicContact CB-CG1 4.01Å; E45-V116 HydrophobicContact CG-CG1 4.18Å; E45-V116 WeakPolarHBondContact OE2-CG1 3.48Å; T46-V116 PolarHBondContact O-N 3.18Å; Y47-V116 CarbonylContact C-O 3.58Å; Y47-V116 WeakPolarHBondContact CA-O 3.35Å; I48-V116 PolarHBondContact N-O 2.73Å; V116-L120 HydrophobicContact CB-CD2 4.33Å; V116-L120 HydrophobicContact CG1-CD2 3.84Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-I121 HydrophobicContact CB-CG1 4.48Å
117D95Very high94.5Very high1 Ų133.7 Ų33.71%0.00516%0.16CC..  trans-107.9173.4172.370.6-5.1000111.3I48 R87 L110 I119 L120 I121I48-D117 HydrophobicContact CG2-CB 3.51Å; R87-D117 IonicContact CZ-OD1 3.85Å; R87-D117 IonicContact CZ-OD2 3.95Å; R87-D117 VanDerWaalsContact CZ-OD2 3.25Å; R87-D117 IonicContact NH1-OD2 3.11Å; R87-D117 PolarHBondContact NH1-OD2 3.46Å; R87-D117 IonicContact NH2-OD1 3.69Å; R87-D117 PolarHBondContact NH2-OD1 3.36Å; R87-D117 VanDerWaalsContact NH2-OD1 3.08Å; R87-D117 IonicContact NH2-OD2 3.25Å; R87-D117 PolarHBondContact NH2-OD2 3.37Å; L110-D117 HydrophobicContact CD1-CB 4.36Å; D117-I119 PolarHBondContact O-N 3.2Å; D117-I119 PolarHBondContact OD1-N 3.23Å; D117-L120 PolarHBondContact O-N 2.86Å; D117-L120 VanDerWaalsContact OD1-CB 3.22Å; D117-L120 WeakPolarHBondContact OD1-CB 3.39Å; D117-L120 PolarHBondContact OD1-N 2.97Å; D117-I121 WeakPolarHBondContact O-CG1 3.4Å; D117-I121 PolarHBondContact O-N 2.87Å; D117-I121 VanDerWaalsContact O-N 3.1Å
118R94.8Very high94.5Very high4 Ų435.4 Ų35.42%0.01517%0.168CC..Hα-helixtrans-57.7-34-176.9-61.7-177.5-80.3172.33.1112.8I27 Y47 E53 A122 W153 F154I27-R118 HydrophobicContact CD1-CB 4.01Å; I27-R118 HydrophobicContact CD1-CG 3.67Å; I27-R118 HydrophobicContact CG1-CG 4.04Å; Y47-R118 HydrophobicContact CE2-CG 3.63Å; Y47-R118 WeakPolarHBondContact OH-CD 3.47Å; Y47-R118 WeakPolarHBondContact OH-CG 3.29Å; E53-R118 VanDerWaalsContact CD-NH2 3.34Å; E53-R118 IonicContact OE1-CZ 3.8Å; E53-R118 IonicContact OE1-NE 3.46Å; E53-R118 PolarHBondContact OE1-NE 2.87Å; E53-R118 IonicContact OE1-NH2 3.05Å; E53-R118 PolarHBondContact OE1-NH2 3.28Å; E53-R118 VanDerWaalsContact OE1-NH2 3.09Å; E53-R118 IonicContact OE2-CZ 2.68Å; E53-R118 IonicContact OE2-NH2 2.59Å; E53-R118 PolarHBondContact OE2-NH2 3.42Å; R118-A122 WeakPolarHBondContact O-CB 3.22Å; R118-A122 PolarHBondContact O-N 2.6Å; R118-A122 VanDerWaalsContact O-N 3.07Å; R118-W153 VanDerWaalsContact NH2-CZ2 3.29Å; R118-F154 HydrophobicContact CB-CD2 3.74Å; R118-F154 HydrophobicContact CB-CE1 4.36Å; R118-F154 HydrophobicContact CB-CE2 3.54Å; R118-F154 HydrophobicContact CB-CG 4.24Å; R118-F154 HydrophobicContact CB-CZ 3.86Å
119I96.2Very high94.6Very high1 Ų131 Ų311%0.00515%0.147CC..Hα-helixtrans-75-40.8179.2-66.7-57.3000112.1C84 R87 L88 D117 I121 A122 R123 W153 F154 L157C84-I119 HydrophobicContact CB-CD1 3.98Å; C84-I119 HydrophobicContact CB-CG1 3.75Å; R87-I119 HydrophobicContact CB-CG2 3.74Å; L88-I119 HydrophobicContact CB-CG2 4.31Å; D117-I119 PolarHBondContact O-N 3.2Å; D117-I119 PolarHBondContact OD1-N 3.23Å; I119-I121 VanDerWaalsContact C-N 3.3Å; I119-I121 PolarHBondContact O-N 2.92Å; I119-A122 PolarHBondContact O-N 3.09Å; I119-R123 VanDerWaalsContact O-CB 3.29Å; I119-R123 WeakPolarHBondContact O-CB 3.34Å; I119-R123 PolarHBondContact O-N 2.98Å; I119-W153 HydrophobicContact CD1-CH2 4.32Å; I119-W153 HydrophobicContact CD1-CZ3 3.97Å; I119-W153 HydrophobicContact CG1-CH2 4.13Å; I119-W153 HydrophobicContact CG1-CZ3 4.23Å; I119-F154 HydrophobicContact CD1-CD2 4.13Å; I119-F154 HydrophobicContact CD1-CE2 4.44Å; I119-L157 HydrophobicContact CD1-CD1 4.18Å
120L95.9Very high94.5Very high11 Ų1135.5 Ų35.56%0.05817%0.167CC..Hα-helixtrans-63-40.3176.3-176.154.3000111.4V116 D117 R123 R124V116-L120 HydrophobicContact CB-CD2 4.33Å; V116-L120 HydrophobicContact CG1-CD2 3.84Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; D117-L120 PolarHBondContact O-N 2.86Å; D117-L120 VanDerWaalsContact OD1-CB 3.22Å; D117-L120 WeakPolarHBondContact OD1-CB 3.39Å; D117-L120 PolarHBondContact OD1-N 2.97Å; L120-R123 PolarHBondContact O-N 3.11Å; L120-R124 HydrophobicContact CD1-CG 4.46Å; L120-R124 WeakPolarHBondContact O-CG 3.45Å; L120-R124 PolarHBondContact O-N 2.88Å
121I96.6Very high94.3Very high0 Ų043.6 Ų43.60%021%0.205CC..Hα-helixtrans-60.6-53.7173.9-67.1160.6000110.5I27 L30 Y31 H34 Y47 V116 D117 I119 R123 R124 L125I27-I121 HydrophobicContact CD1-CD1 4.39Å; L30-I121 HydrophobicContact CB-CG2 4.26Å; Y31-I121 HydrophobicContact CD2-CD1 3.8Å; H34-I121 HydrophobicContact CB-CG2 3.93Å; Y47-I121 HydrophobicContact CD2-CD1 3.81Å; Y47-I121 HydrophobicContact CE2-CD1 4.03Å; V116-I121 HydrophobicContact CB-CG1 4.48Å; D117-I121 WeakPolarHBondContact O-CG1 3.4Å; D117-I121 PolarHBondContact O-N 2.87Å; D117-I121 VanDerWaalsContact O-N 3.1Å; I119-I121 VanDerWaalsContact C-N 3.3Å; I119-I121 PolarHBondContact O-N 2.92Å; I121-R123 VanDerWaalsContact C-N 3.29Å; I121-R123 PolarHBondContact O-N 2.8Å; I121-R124 PolarHBondContact O-N 3.12Å; I121-L125 HydrophobicContact CG2-CD1 4.18Å; I121-L125 PolarHBondContact O-N 3.02Å; I121-L125 VanDerWaalsContact O-N 3.15Å
122A97.4Very high94.4Very high6 Ų637.2 Ų37.25%0.0518%0.179CC..Hα-helixtrans-59.9-39.1-179.600000112.5L88 R118 I119 L125 L126 F154 M158L88-A122 HydrophobicContact CD1-CB 4.02Å; R118-A122 WeakPolarHBondContact O-CB 3.22Å; R118-A122 PolarHBondContact O-N 2.6Å; R118-A122 VanDerWaalsContact O-N 3.07Å; I119-A122 PolarHBondContact O-N 3.09Å; A122-L125 PolarHBondContact O-N 2.89Å; A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 PolarHBondContact O-N 3.03Å; A122-F154 HydrophobicContact CB-CE2 4.4Å; A122-M158 HydrophobicContact CB-CE 3.74Å; A122-M158 HydrophobicContact CB-SD 3.67Å
123R96.5Very high94.6Very high34 Ų3437.1 Ų37.113%0.12818%0.183CC..Hα-helixtrans-65.3-46.6177.7179.3177.163.8138.2-9.8112.3R87 L88 E107 I119 L120 I121 L125 L126 E127R87-R123 WeakPolarHBondContact O-CD 3.29Å; L88-R123 HydrophobicContact CD1-CB 4.44Å; E107-R123 IonicContact OE2-CZ 3.2Å; E107-R123 IonicContact OE2-NH2 3.97Å; E107-R123 PolarHBondContact OE2-NH2 3.41Å; I119-R123 VanDerWaalsContact O-CB 3.29Å; I119-R123 WeakPolarHBondContact O-CB 3.34Å; I119-R123 PolarHBondContact O-N 2.98Å; L120-R123 PolarHBondContact O-N 3.11Å; I121-R123 VanDerWaalsContact C-N 3.29Å; I121-R123 PolarHBondContact O-N 2.8Å; R123-L125 VanDerWaalsContact C-N 3.26Å; R123-L125 PolarHBondContact O-N 3.31Å; R123-L126 CarbonylContact O-C 3.6Å; R123-L126 PolarHBondContact O-N 3.5Å; R123-E127 WeakPolarHBondContact CD-OE1 3.32Å; R123-E127 HydrophobicContact CG-CG 4.19Å; R123-E127 WeakPolarHBondContact CG-OE1 3.14Å; R123-E127 IonicContact NE-OE1 2.74Å; R123-E127 IonicContact NH1-OE1 3.65Å; R123-E127 WeakPolarHBondContact O-CG 3.49Å; R123-E127 PolarHBondContact O-N 2.98Å
124R95.9Very high94.8Very high40 Ų4039 Ų3915%0.15120%0.2CC..Hα-helixtrans-59.9-40.5178.8-75.1168.7170178.32.8111.2H34 L39 E45 L120 I121 E127 E128H34-R124 WeakPolarHBondContact NE2-CD 3.45Å; H34-R124 PolarHBondContact NE2-NH1 3.05Å; H34-R124 VanDerWaalsContact NE2-NH1 3.17Å; L39-R124 HydrophobicContact CB-CB 4.35Å; L39-R124 VanDerWaalsContact O-CD 3.3Å; L39-R124 WeakPolarHBondContact O-CD 3.44Å; L39-R124 PolarHBondContact O-NH1 2.79Å; E45-R124 IonicContact OE1-CZ 2.67Å; E45-R124 IonicContact OE1-NH1 3.41Å; E45-R124 IonicContact OE1-NH2 3.09Å; E45-R124 PolarHBondContact OE1-NH2 2.88Å; E45-R124 IonicContact OE2-CZ 2.92Å; E45-R124 IonicContact OE2-NH1 2.86Å; E45-R124 PolarHBondContact OE2-NH1 2.84Å; E45-R124 IonicContact OE2-NH2 3.93Å; E45-R124 PolarHBondContact OE2-NH2 2.75Å; L120-R124 HydrophobicContact CD1-CG 4.46Å; L120-R124 WeakPolarHBondContact O-CG 3.45Å; L120-R124 PolarHBondContact O-N 2.88Å; I121-R124 PolarHBondContact O-N 3.12Å; R124-E127 PolarHBondContact O-N 3.12Å; R124-E128 WeakPolarHBondContact O-CB 3.31Å; R124-E128 PolarHBondContact O-N 3.01Å
125L96.9Very high94.9Very high6 Ų638.3 Ų38.33%0.03120%0.196CC..Hα-helixtrans-62.6-42.7172.5-71.2166.3000112.2L30 T33 H34 L39 I121 A122 R123 E128 F129 L135L30-L125 HydrophobicContact CB-CD1 4.05Å; L30-L125 HydrophobicContact CD2-CD1 3.76Å; L30-L125 HydrophobicContact CG-CD1 4.49Å; T33-L125 HydrophobicContact CG2-CD2 3.73Å; H34-L125 HydrophobicContact CB-CD2 4.39Å; H34-L125 HydrophobicContact CB-CG 4.4Å; L39-L125 HydrophobicContact CD1-CD2 3.71Å; L39-L125 HydrophobicContact CD1-CG 4.24Å; I121-L125 HydrophobicContact CG2-CD1 4.18Å; I121-L125 PolarHBondContact O-N 3.02Å; I121-L125 VanDerWaalsContact O-N 3.15Å; A122-L125 PolarHBondContact O-N 2.89Å; R123-L125 VanDerWaalsContact C-N 3.26Å; R123-L125 PolarHBondContact O-N 3.31Å; L125-E128 PolarHBondContact O-N 3.38Å; L125-F129 WeakPolarHBondContact O-CB 3.21Å; L125-F129 PolarHBondContact O-N 3.22Å; L125-L135 HydrophobicContact CD2-CD1 3.92Å; L125-L135 HydrophobicContact CD2-CD2 4.28Å
126L95.1Very high94.9Very high27 Ų2742.7 Ų42.714%0.14122%0.216CC..Hα-helixtrans-67.6-39179-176.662.7000112.6L88 A122 R123 F129 F130 I161 F165L88-L126 HydrophobicContact CD1-CD2 4.34Å; A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 PolarHBondContact O-N 3.03Å; R123-L126 CarbonylContact O-C 3.6Å; R123-L126 PolarHBondContact O-N 3.5Å; L126-F129 WeakPolarHBondContact O-CB 3.18Å; L126-F129 PolarHBondContact O-N 2.92Å; L126-F130 HydrophobicContact CD1-CE2 4.16Å; L126-F130 HydrophobicContact CD1-CZ 4.45Å; L126-F130 HydrophobicContact CG-CE2 4.32Å; L126-F130 WeakPolarHBondContact O-CD2 3.47Å; L126-F130 VanDerWaalsContact O-CE2 3.32Å; L126-F130 WeakPolarHBondContact O-CE2 3.28Å; L126-I161 HydrophobicContact CD1-CG2 4.48Å; L126-F165 HydrophobicContact CD1-CE2 3.87Å; L126-F165 HydrophobicContact CD1-CZ 4.07Å
127E94.3Very high94.9Very high106 Ų10646.1 Ų46.150%0.49524%0.237SC..Hα-helixtrans-64.1-46.1175.2-73.3171.4-178.600110.4R123 R124 F129R123-E127 WeakPolarHBondContact CD-OE1 3.32Å; R123-E127 HydrophobicContact CG-CG 4.19Å; R123-E127 WeakPolarHBondContact CG-OE1 3.14Å; R123-E127 IonicContact NE-OE1 2.74Å; R123-E127 IonicContact NH1-OE1 3.65Å; R123-E127 WeakPolarHBondContact O-CG 3.49Å; R123-E127 PolarHBondContact O-N 2.98Å; R124-E127 PolarHBondContact O-N 3.12Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 3.34Å
128E95Very high94.7Very high65 Ų6547.7 Ų47.730%0.30424%0.243SC..Hα-helixtrans-68.6-30.9177.8-173.667.8-168.300112.8L39 R124 L125 F130 E131 N132 L135L39-E128 HydrophobicContact CD1-CB 4.06Å; L39-E128 HydrophobicContact CD1-CG 4.27Å; L39-E128 HydrophobicContact CD2-CB 4.05Å; L39-E128 HydrophobicContact CD2-CG 3.77Å; R124-E128 WeakPolarHBondContact O-CB 3.31Å; R124-E128 PolarHBondContact O-N 3.01Å; L125-E128 PolarHBondContact O-N 3.38Å; E128-F130 PolarHBondContact O-N 2.91Å; E128-F130 VanDerWaalsContact O-N 3.14Å; E128-E131 PolarHBondContact O-N 3.42Å; E128-E131 VanDerWaalsContact O-N 3.14Å; E128-N132 HydrophobicContact CG-CB 3.74Å; E128-N132 VanDerWaalsContact O-CB 3.29Å; E128-N132 WeakPolarHBondContact O-CB 3.42Å; E128-N132 PolarHBondContact O-N 2.79Å; E128-N132 WeakPolarHBondContact OE1-CB 3.28Å; E128-N132 PolarHBondContact OE1-ND2 3.17Å; E128-L135 HydrophobicContact CB-CD2 3.65Å; E128-L135 HydrophobicContact CG-CD2 3.54Å
129F94.2Very high94.7Very high15 Ų1548.5 Ų48.57%0.06625%0.248CC..Hα-helixtrans-55.7-34.1-175.1173-91.8000114L125 L126 E127 K136 L139 F140 F165L125-F129 WeakPolarHBondContact O-CB 3.21Å; L125-F129 PolarHBondContact O-N 3.22Å; L126-F129 WeakPolarHBondContact O-CB 3.18Å; L126-F129 PolarHBondContact O-N 2.92Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 3.34Å; F129-K136 HydrophobicContact CD2-CB 4.12Å; F129-K136 HydrophobicContact CD2-CG 4.35Å; F129-K136 HydrophobicContact CE2-CB 3.87Å; F129-K136 HydrophobicContact CE2-CD 4.28Å; F129-K136 HydrophobicContact CE2-CG 3.62Å; F129-K136 HydrophobicContact CZ-CB 4.44Å; F129-K136 HydrophobicContact CZ-CD 4.02Å; F129-K136 HydrophobicContact CZ-CG 3.82Å; F129-L139 HydrophobicContact CD2-CD1 3.91Å; F129-F140 HydrophobicContact CE2-CD1 4.06Å; F129-F140 AromaticContact CE2-CE1 3.58Å; F129-F140 HydrophobicContact CE2-CE1 3.58Å; F129-F140 HydrophobicContact CE2-CZ 4.35Å; F129-F140 HydrophobicContact CZ-CD1 4.35Å; F129-F140 AromaticContact CZ-CE1 3.47Å; F129-F140 HydrophobicContact CZ-CE1 3.47Å; F129-F140 VanDerWaalsContact CZ-CE1 3.47Å; F129-F140 AromaticContact CZ-CZ 3.82Å; F129-F140 HydrophobicContact CZ-CZ 3.82Å; F129-F165 HydrophobicContact CD1-CE1 4.02Å; F129-F165 HydrophobicContact CD1-CZ 4.31Å; F129-F165 AromaticContact CE1-CD1 3.56Å; F129-F165 HydrophobicContact CE1-CD1 3.56Å; F129-F165 AromaticContact CE1-CE1 3.38Å; F129-F165 HydrophobicContact CE1-CE1 3.38Å; F129-F165 HydrophobicContact CE1-CG 4.38Å; F129-F165 HydrophobicContact CE1-CZ 4.08Å; F129-F165 AromaticContact CZ-CD1 3.87Å; F129-F165 HydrophobicContact CZ-CD1 3.87Å; F129-F165 HydrophobicContact CZ-CE1 4.17Å; F129-F165 HydrophobicContact CZ-CG 4.43Å
130F90.5Very high94.6Very high133 Ų13350.6 Ų50.658%0.58326%0.257SS*.THydrogen-bonded Turntrans-72.6-30.5-177-67.6-74.8000113L126 E128 F165L126-F130 HydrophobicContact CD1-CE2 4.16Å; L126-F130 HydrophobicContact CD1-CZ 4.45Å; L126-F130 HydrophobicContact CG-CE2 4.32Å; L126-F130 WeakPolarHBondContact O-CD2 3.47Å; L126-F130 VanDerWaalsContact O-CE2 3.32Å; L126-F130 WeakPolarHBondContact O-CE2 3.28Å; E128-F130 PolarHBondContact O-N 2.91Å; E128-F130 VanDerWaalsContact O-N 3.14Å; F130-F165 HydrophobicContact CE1-CE1 4Å; F130-F165 AromaticContact CE1-CZ 3.96Å; F130-F165 HydrophobicContact CE1-CZ 3.96Å; F130-F165 HydrophobicContact CZ-CE1 4.27Å; F130-F165 AromaticContact CZ-CZ 3.74Å; F130-F165 HydrophobicContact CZ-CZ 3.74Å
131E91.1Very high94.4Very high171 Ų17157.2 Ų57.280%0.79928%0.282SS*.THydrogen-bonded Turntrans-103-25.6-174.8-58.4-58.8148.300112.4E128E128-E131 PolarHBondContact O-N 3.42Å; E128-E131 VanDerWaalsContact O-N 3.14Å
132N94.5Very high94.2Very high35 Ų3557.8 Ų57.819%0.18728%0.284CS..  trans-102101.8-172.5-166.4-39.3000113E128 A134 L135 K136E128-N132 HydrophobicContact CG-CB 3.74Å; E128-N132 VanDerWaalsContact O-CB 3.29Å; E128-N132 WeakPolarHBondContact O-CB 3.42Å; E128-N132 PolarHBondContact O-N 2.79Å; E128-N132 WeakPolarHBondContact OE1-CB 3.28Å; E128-N132 PolarHBondContact OE1-ND2 3.17Å; N132-A134 VanDerWaalsContact C-N 3.31Å; N132-A134 PolarHBondContact O-N 2.9Å; N132-A134 WeakPolarHBondContact OD1-CB 3.2Å; N132-A134 PolarHBondContact OD1-N 3.15Å; N132-A134 VanDerWaalsContact OD1-N 3.12Å; N132-L135 HydrophobicContact CB-CB 3.89Å; N132-L135 PolarHBondContact O-N 2.82Å; N132-L135 PolarHBondContact OD1-N 3.47Å; N132-K136 WeakPolarHBondContact O-CB 3.42Å; N132-K136 PolarHBondContact O-N 2.77Å
133S94.7Very high94Very high93 Ų9360.4 Ų60.465%0.6530%0.296SS*.Hα-helixtrans-64.4-32-179.863.40000113.7T137S133-T137 VanDerWaalsContact O-CB 3.31Å; S133-T137 WeakPolarHBondContact O-CB 3.47Å; S133-T137 PolarHBondContact O-N 3.38Å; S133-T137 PolarHBondContact O-OG1 3.18Å
134A94.7Very high93.9Very high53 Ų5358.9 Ų58.944%0.43829%0.29SS..Hα-helixtrans-70.4-43.3177.500000111.1F37 N132 T137 K138F37-A134 HydrophobicContact CE1-CB 4.05Å; F37-A134 HydrophobicContact CZ-CB 4.35Å; N132-A134 VanDerWaalsContact C-N 3.31Å; N132-A134 PolarHBondContact O-N 2.9Å; N132-A134 WeakPolarHBondContact OD1-CB 3.2Å; N132-A134 PolarHBondContact OD1-N 3.15Å; N132-A134 VanDerWaalsContact OD1-N 3.12Å; A134-T137 WeakPolarHBondContact O-CB 3.15Å; A134-T137 PolarHBondContact O-N 3.11Å; A134-K138 PolarHBondContact O-N 3.3Å
135L94.7Very high93.7Very high0 Ų058.8 Ų58.80%029%0.292CS..Hα-helixtrans-60.8-48.4174.1177.459.2000110.9T33 F37 L125 E128 N132 T137 K138 L139T33-L135 HydrophobicContact CG2-CD1 3.46Å; T33-L135 VanDerWaalsContact CG2-CD1 3.46Å; F37-L135 HydrophobicContact CD1-CB 3.94Å; F37-L135 HydrophobicContact CD1-CD1 4.48Å; F37-L135 HydrophobicContact CD2-CD1 3.88Å; F37-L135 HydrophobicContact CE1-CB 3.59Å; F37-L135 HydrophobicContact CE1-CD1 4.45Å; F37-L135 VanDerWaalsContact CE1-N 3.34Å; F37-L135 HydrophobicContact CE2-CB 4.41Å; F37-L135 HydrophobicContact CE2-CD1 3.84Å; F37-L135 HydrophobicContact CG-CB 4.49Å; F37-L135 HydrophobicContact CG-CD1 4.21Å; F37-L135 HydrophobicContact CZ-CB 3.85Å; F37-L135 HydrophobicContact CZ-CD1 4.15Å; L125-L135 HydrophobicContact CD2-CD1 3.92Å; L125-L135 HydrophobicContact CD2-CD2 4.28Å; E128-L135 HydrophobicContact CB-CD2 3.65Å; E128-L135 HydrophobicContact CG-CD2 3.54Å; N132-L135 HydrophobicContact CB-CB 3.89Å; N132-L135 PolarHBondContact O-N 2.82Å; N132-L135 PolarHBondContact OD1-N 3.47Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 3.13Å; L135-K138 PolarHBondContact O-N 3.05Å; L135-L139 HydrophobicContact CD1-CD1 3.83Å; L135-L139 HydrophobicContact CD1-CG 4.02Å; L135-L139 HydrophobicContact CG-CD1 3.9Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.93Å
136K94.4Very high93.5Very high94 Ų9458.5 Ų58.541%0.40929%0.291SS..Hα-helixtrans-56.2-46.5176.9177.4170.7-175.3177.20112F129 N132 L139 F140F129-K136 HydrophobicContact CD2-CB 4.12Å; F129-K136 HydrophobicContact CD2-CG 4.35Å; F129-K136 HydrophobicContact CE2-CB 3.87Å; F129-K136 HydrophobicContact CE2-CD 4.28Å; F129-K136 HydrophobicContact CE2-CG 3.62Å; F129-K136 HydrophobicContact CZ-CB 4.44Å; F129-K136 HydrophobicContact CZ-CD 4.02Å; F129-K136 HydrophobicContact CZ-CG 3.82Å; N132-K136 WeakPolarHBondContact O-CB 3.42Å; N132-K136 PolarHBondContact O-N 2.77Å; K136-L139 PolarHBondContact O-N 3.21Å; K136-F140 WeakPolarHBondContact O-CB 3.42Å; K136-F140 PolarHBondContact O-N 2.96Å
137T93.9Very high93.3Very high74 Ų7459.6 Ų59.645%0.45430%0.295SS..Hα-helixtrans-56.5-53.9175.9-64.20000110.1S133 A134 L135 L139 F140 Y141S133-T137 VanDerWaalsContact O-CB 3.31Å; S133-T137 WeakPolarHBondContact O-CB 3.47Å; S133-T137 PolarHBondContact O-N 3.38Å; S133-T137 PolarHBondContact O-OG1 3.18Å; A134-T137 WeakPolarHBondContact O-CB 3.15Å; A134-T137 PolarHBondContact O-N 3.11Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 3.13Å; T137-L139 PolarHBondContact O-N 2.9Å; T137-F140 PolarHBondContact O-N 3.25Å; T137-Y141 HydrophobicContact CG2-CD2 3.51Å; T137-Y141 HydrophobicContact CG2-CE2 3.7Å; T137-Y141 WeakPolarHBondContact O-CD2 3.29Å; T137-Y141 PolarHBondContact O-N 3.5Å
138K92.3Very high93Very high33 Ų3355.2 Ų55.214%0.14328%0.276CS..Hα-helixtrans-55.7-49.4179.6-174.9-174.1-178.888.80112.1T33 E36 F37 A134 L135 F140 Y142T33-K138 HydrophobicContact CG2-CD 3.95Å; T33-K138 WeakPolarHBondContact OG1-CE 3.37Å; E36-K138 IonicContact OE1-NZ 3.9Å; E36-K138 PolarHBondContact OE1-NZ 3.05Å; E36-K138 WeakPolarHBondContact OE2-CE 3.29Å; E36-K138 IonicContact OE2-NZ 3.87Å; E36-K138 PolarHBondContact OE2-NZ 3.17Å; F37-K138 HydrophobicContact CE2-CD 3.72Å; F37-K138 HydrophobicContact CZ-CD 4.4Å; A134-K138 PolarHBondContact O-N 3.3Å; L135-K138 PolarHBondContact O-N 3.05Å; K138-F140 VanDerWaalsContact C-N 3.33Å; K138-F140 PolarHBondContact O-N 3.08Å; K138-Y142 PolarHBondContact O-N 3.3Å
139L94.1Very high92.7Very high22 Ų2255 Ų5512%0.11528%0.277CS..Hα-helixtrans-65-34.8-179.1-69.8173.3000112.4F29 T33 F129 L135 K136 T137 Y144F29-L139 HydrophobicContact CE1-CD2 3.71Å; F29-L139 HydrophobicContact CZ-CD2 3.83Å; T33-L139 HydrophobicContact CG2-CD2 4.42Å; F129-L139 HydrophobicContact CD2-CD1 3.91Å; L135-L139 HydrophobicContact CD1-CD1 3.83Å; L135-L139 HydrophobicContact CD1-CG 4.02Å; L135-L139 HydrophobicContact CG-CD1 3.9Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.93Å; K136-L139 PolarHBondContact O-N 3.21Å; T137-L139 PolarHBondContact O-N 2.9Å; L139-Y144 WeakPolarHBondContact CA-OH 3.38Å; L139-Y144 WeakPolarHBondContact O-CE2 3.35Å; L139-Y144 PolarHBondContact O-OH 2.99Å
140F93.7Very high92.5Very high45 Ų4559.1 Ų59.120%0.19730%0.295CS..Hα-helixtrans-79.6-33-178.7-85.929000113.7F129 K136 T137 K138 F165 V167 P168F129-F140 HydrophobicContact CE2-CD1 4.06Å; F129-F140 AromaticContact CE2-CE1 3.58Å; F129-F140 HydrophobicContact CE2-CE1 3.58Å; F129-F140 HydrophobicContact CE2-CZ 4.35Å; F129-F140 HydrophobicContact CZ-CD1 4.35Å; F129-F140 AromaticContact CZ-CE1 3.47Å; F129-F140 HydrophobicContact CZ-CE1 3.47Å; F129-F140 VanDerWaalsContact CZ-CE1 3.47Å; F129-F140 AromaticContact CZ-CZ 3.82Å; F129-F140 HydrophobicContact CZ-CZ 3.82Å; K136-F140 WeakPolarHBondContact O-CB 3.42Å; K136-F140 PolarHBondContact O-N 2.96Å; T137-F140 PolarHBondContact O-N 3.25Å; K138-F140 VanDerWaalsContact C-N 3.33Å; K138-F140 PolarHBondContact O-N 3.08Å; F140-F165 HydrophobicContact CE1-CB 4.3Å; F140-F165 HydrophobicContact CZ-CB 4.25Å; F140-V167 HydrophobicContact CD1-CG2 4.1Å; F140-V167 HydrophobicContact CE1-CG2 3.96Å; F140-P168 HydrophobicContact CD2-CG 4.49Å
141Y91.3Very high92.6Very high150 Ų15052.8 Ų52.859%0.58827%0.267SS*.Hα-helixtrans-87.4-12.2-177.6-75.5-70.1000113.9T137T137-Y141 HydrophobicContact CG2-CD2 3.51Å; T137-Y141 HydrophobicContact CG2-CE2 3.7Å; T137-Y141 WeakPolarHBondContact O-CD2 3.29Å; T137-Y141 PolarHBondContact O-N 3.5Å
142Y92.6Very high92.5Very high11 Ų1144.9 Ų44.94%0.04323%0.23CC..SBendtrans-70.3143.9174.9-136.9-83000111.6Y4 P5 V7 Y24 F29 K138 Y144 H169Y4-Y142 WeakPolarHBondContact CB-OH 3.5Å; Y4-Y142 HydrophobicContact CD2-CE2 4.48Å; Y4-Y142 AromaticContact CG-CE2 4Å; Y4-Y142 HydrophobicContact CG-CE2 4Å; P5-Y142 WeakPolarHBondContact O-CE1 3.47Å; P5-Y142 VanDerWaalsContact O-CZ 3.28Å; P5-Y142 PolarHBondContact O-OH 2.84Å; V7-Y142 HydrophobicContact CB-CD1 4.28Å; V7-Y142 HydrophobicContact CB-CE1 4.29Å; V7-Y142 HydrophobicContact CG2-CD1 3.55Å; V7-Y142 HydrophobicContact CG2-CE1 3.37Å; Y24-Y142 HydrophobicContact CD1-CE1 4.35Å; Y24-Y142 HydrophobicContact CE1-CE1 4.07Å; Y24-Y142 AromaticContact CE1-CZ 3.77Å; Y24-Y142 WeakPolarHBondContact CE1-OH 3.34Å; F29-Y142 HydrophobicContact CD2-CD1 4.44Å; F29-Y142 HydrophobicContact CD2-CD2 4.27Å; F29-Y142 HydrophobicContact CD2-CE1 4.3Å; F29-Y142 HydrophobicContact CD2-CE2 4.07Å; F29-Y142 HydrophobicContact CD2-CG 4.43Å; F29-Y142 HydrophobicContact CE2-CD1 4.1Å; F29-Y142 AromaticContact CE2-CD2 3.44Å; F29-Y142 HydrophobicContact CE2-CD2 3.44Å; F29-Y142 VanDerWaalsContact CE2-CD2 3.44Å; F29-Y142 HydrophobicContact CE2-CE1 4.3Å; F29-Y142 AromaticContact CE2-CE2 3.63Å; F29-Y142 HydrophobicContact CE2-CE2 3.63Å; F29-Y142 AromaticContact CE2-CG 3.67Å; F29-Y142 HydrophobicContact CE2-CG 3.67Å; F29-Y142 HydrophobicContact CZ-CD1 4.46Å; F29-Y142 HydrophobicContact CZ-CD2 4.03Å; F29-Y142 AromaticContact CZ-CG 3.92Å; F29-Y142 HydrophobicContact CZ-CG 3.92Å; K138-Y142 PolarHBondContact O-N 3.3Å; Y142-Y144 VanDerWaalsContact O-CD2 3.26Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.37Å; Y142-Y144 WeakPolarHBondContact O-CE2 3.35Å; Y142-H169 WeakPolarHBondContact O-CB 3.21Å
143H93.1Very high92.4Very high61 Ų6144.3 Ų44.328%0.28223%0.225SC..  trans-90.1120.8178.2-72.163.3000110.4P6 V7 H169P6-H143 HydrophobicContact CB-CB 4.32Å; V7-H143 PolarHBondContact N-O 2.95Å; H143-H169 AromaticContact NE2-ND1 3.79Å
144Y94.6Very high92.3Very high2 Ų240 Ų401%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-113121179.5-53.8-89.2000110V7 I9 F29 L139 Y142 M162 V167 H169 C171V7-Y144 HydrophobicContact CB-CD1 3.79Å; V7-Y144 HydrophobicContact CB-CE1 4.27Å; V7-Y144 HydrophobicContact CG1-CD1 3.85Å; V7-Y144 HydrophobicContact CG1-CE1 4.37Å; V7-Y144 HydrophobicContact CG2-CD1 4.35Å; V7-Y144 HydrophobicContact CG2-CE1 4.33Å; V7-Y144 WeakPolarHBondContact O-CA 3.38Å; I9-Y144 HydrophobicContact CD1-CD1 4.41Å; F29-Y144 HydrophobicContact CD1-CE1 4.05Å; F29-Y144 AromaticContact CE1-CE1 3.62Å; F29-Y144 HydrophobicContact CE1-CE1 3.62Å; F29-Y144 AromaticContact CE1-CZ 3.88Å; F29-Y144 VanDerWaalsContact CE1-OH 3.28Å; F29-Y144 WeakPolarHBondContact CE1-OH 3.39Å; F29-Y144 HydrophobicContact CZ-CE1 4.26Å; F29-Y144 WeakPolarHBondContact CZ-OH 3.44Å; L139-Y144 WeakPolarHBondContact CA-OH 3.38Å; L139-Y144 WeakPolarHBondContact O-CE2 3.35Å; L139-Y144 PolarHBondContact O-OH 2.99Å; Y142-Y144 VanDerWaalsContact O-CD2 3.26Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.37Å; Y142-Y144 WeakPolarHBondContact O-CE2 3.35Å; Y144-M162 HydrophobicContact CD1-CE 3.58Å; Y144-M162 HydrophobicContact CD1-SD 3.9Å; Y144-M162 HydrophobicContact CD2-SD 4.37Å; Y144-M162 HydrophobicContact CE1-CE 3.38Å; Y144-M162 HydrophobicContact CE1-SD 4.19Å; Y144-M162 HydrophobicContact CG-CE 4.25Å; Y144-M162 HydrophobicContact CG-SD 3.99Å; Y144-V167 HydrophobicContact CD2-CG1 3.83Å; Y144-V167 HydrophobicContact CE2-CG1 3.64Å; Y144-H169 PolarHBondContact N-O 3.27Å; Y144-C171 PolarHBondContact O-N 3.42Å; Y144-C171 PolarHBondContact O-SG 3.47Å; Y144-C171 VanDerWaalsContact O-SG 3.4Å
145I92.9Very high92.3Very high39 Ų3938.1 Ų38.120%0.218%0.177CC..EExtended strand (participates in β ladder)trans-113.8108.1-174.9-54.1-176.8000109.2P6 V7 F8 I9 Q147 P173P6-I145 HydrophobicContact CB-CD1 3.56Å; P6-I145 HydrophobicContact CB-CG1 4.04Å; P6-I145 HydrophobicContact CG-CD1 3.96Å; V7-I145 PolarHBondContact O-N 3.07Å; F8-I145 HydrophobicContact CD1-CB 3.95Å; F8-I145 HydrophobicContact CD1-CD1 4.36Å; F8-I145 HydrophobicContact CD1-CG2 4.25Å; F8-I145 HydrophobicContact CE1-CB 4.25Å; F8-I145 HydrophobicContact CE1-CD1 3.82Å; F8-I145 HydrophobicContact CE1-CG2 4.39Å; F8-I145 HydrophobicContact CZ-CD1 4.49Å; I9-I145 PolarHBondContact N-O 3.1Å; I145-Q147 HydrophobicContact CG2-CG 4Å; I145-Q147 PolarHBondContact O-N 3.43Å; I145-P173 HydrophobicContact CG2-CG 3.78Å
146V92.6Very high92.3Very high0 Ų039.2 Ų39.20%018%0.182CC..EExtended strand (participates in β ladder)trans-81.898.1174-176.70000109.1I9 S148 L151 V159 L170 C171 F172 P173 C174I9-V146 HydrophobicContact CB-CG2 4.28Å; I9-V146 HydrophobicContact CD1-CG2 4.32Å; V146-S148 WeakPolarHBondContact CG1-O 3.38Å; V146-L151 HydrophobicContact CG1-CD1 4.34Å; V146-L151 HydrophobicContact CG1-CD2 4.02Å; V146-V159 HydrophobicContact CG2-CG2 4.11Å; V146-L170 HydrophobicContact CG2-CD1 3.85Å; V146-C171 WeakPolarHBondContact CB-O 3.38Å; V146-C171 PolarHBondContact N-O 3.4Å; V146-F172 HydrophobicContact CB-CD1 3.64Å; V146-F172 HydrophobicContact CB-CE1 4Å; V146-F172 HydrophobicContact CB-CG 4.18Å; V146-F172 HydrophobicContact CG1-CD1 3.67Å; V146-F172 HydrophobicContact CG1-CE1 3.93Å; V146-F172 HydrophobicContact CG2-CD1 3.9Å; V146-F172 HydrophobicContact CG2-CE1 3.77Å; V146-F172 HydrophobicContact CG2-CG 4.44Å; V146-F172 HydrophobicContact CG2-CZ 4.18Å; V146-P173 WeakPolarHBondContact O-CD 3.43Å; V146-C174 PolarHBondContact O-SG 3.36Å
147Q89.8Confident92.4Very high50 Ų5034.7 Ų34.723%0.23416%0.163CC..  trans-81.9-19.7-170.6-63.7-172.1-54.600113.7F8 I9 I145F8-Q147 HydrophobicContact CD1-CG 3.79Å; F8-Q147 VanDerWaalsContact CE1-NE2 3.27Å; I9-Q147 PolarHBondContact O-N 3.19Å; I145-Q147 HydrophobicContact CG2-CG 4Å; I145-Q147 PolarHBondContact O-N 3.43Å
148S88.2Confident92.5Very high14 Ų1431.6 Ų31.610%0.09814%0.143CC..  trans-135.5144.5-175.7170.90000109.7L11 V146 K150 L151L11-S148 WeakPolarHBondContact O-CB 3.22Å; V146-S148 WeakPolarHBondContact CG1-O 3.38Å; S148-K150 PolarHBondContact OG-N 3.12Å; S148-K150 PolarHBondContact OG-O 2.99Å; S148-L151 WeakPolarHBondContact O-CD2 3.44Å
149N88.9Confident92.7Very high60 Ų6030 Ų3032%0.32114%0.136SC..SBendtrans-77.5-11.9168.469.8-35.2000112L175 C188 E189N149-L175 HydrophobicContact CB-CD2 4.45Å; N149-C188 CarbonylContact O-C 3.39Å; N149-C188 WeakPolarHBondContact O-CA 3.45Å; N149-C188 WeakPolarHBondContact O-CB 3.35Å; N149-E189 PolarHBondContact O-N 2.84Å
150K90.1Very high92.8Very high102 Ų10229.9 Ų29.944%0.44314%0.135SC..EExtended strand (participates in β ladder)trans-97.2109.3171.3-62.9-170.4178.9-168.30109.5S148 E189S148-K150 PolarHBondContact OG-N 3.12Å; S148-K150 PolarHBondContact OG-O 2.99Å; K150-E189 VanDerWaalsContact CE-OE2 3.25Å; K150-E189 WeakPolarHBondContact CE-OE2 3.44Å; K150-E189 HydrophobicContact CG-CB 4.4Å; K150-E189 IonicContact NZ-OE2 2.89Å
151L91.6Very high92.8Very high0 Ų028.8 Ų28.80%013%0.131CC..EExtended strand (participates in β ladder)trans-111.1141-176.4-60.5-174.5000109.9I9 V146 S148 E155 H156 V159 C188 E189 D191I9-L151 HydrophobicContact CG2-CD2 4.1Å; V146-L151 HydrophobicContact CG1-CD1 4.34Å; V146-L151 HydrophobicContact CG1-CD2 4.02Å; S148-L151 WeakPolarHBondContact O-CD2 3.44Å; L151-E155 HydrophobicContact CB-CB 4.11Å; L151-H156 HydrophobicContact CB-CB 4.21Å; L151-V159 HydrophobicContact CD1-CB 4.42Å; L151-V159 HydrophobicContact CD1-CG2 4.04Å; L151-C188 HydrophobicContact CD1-CB 4.06Å; L151-C188 HydrophobicContact CG-CB 4.32Å; L151-E189 PolarHBondContact N-O 3.1Å; L151-D191 PolarHBondContact O-N 2.81Å
152D90.1Very high93Very high5 Ų522.3 Ų22.33%0.02711%0.106CC..EExtended strand (participates in β ladder)trans-61.8157.3166.282.356.6000110.2F154 E155 H156 T194 K418D152-F154 PolarHBondContact O-N 3.39Å; D152-F154 VanDerWaalsContact O-N 3.16Å; D152-F154 VanDerWaalsContact OD1-CA 3.27Å; D152-F154 WeakPolarHBondContact OD1-CA 3.44Å; D152-F154 VanDerWaalsContact OD1-CB 3.23Å; D152-F154 WeakPolarHBondContact OD1-CB 3.38Å; D152-F154 PolarHBondContact OD1-N 3.36Å; D152-E155 PolarHBondContact N-OE2 2.92Å; D152-E155 WeakPolarHBondContact O-CB 3.3Å; D152-E155 PolarHBondContact O-N 2.9Å; D152-E155 PolarHBondContact OD1-N 3.21Å; D152-E155 VanDerWaalsContact OD2-CG 3.24Å; D152-E155 WeakPolarHBondContact OD2-CG 3.36Å; D152-E155 VanDerWaalsContact OD2-OE2 3.11Å; D152-H156 PolarHBondContact O-N 3.29Å; D152-T194 WeakPolarHBondContact CB-OG1 3.34Å; D152-K418 IonicContact OD2-NZ 2.8Å; D152-K418 PolarHBondContact OD2-NZ 2.82Å
153W91.3Very high93Very high22 Ų2222.1 Ų22.18%0.08311%0.107CC..Hα-helixtrans-58.4-30.7-175.770.9-97.8000114E53 W80 Y81 C84 R118 I119 L157 I190 D191 F192E53-W153 WeakPolarHBondContact OE2-CZ2 3.43Å; W80-W153 AromaticContact CD1-CZ2 3.82Å; W80-W153 AromaticContact NE1-CZ2 3.67Å; Y81-W153 HydrophobicContact CD2-CB 3.84Å; Y81-W153 HydrophobicContact CD2-CE3 4.09Å; Y81-W153 HydrophobicContact CG-CB 4.49Å; C84-W153 HydrophobicContact CB-CE3 4.41Å; C84-W153 HydrophobicContact CB-CH2 4.02Å; C84-W153 HydrophobicContact CB-CZ3 3.58Å; C84-W153 VanDerWaalsContact SG-CH2 3.55Å; R118-W153 VanDerWaalsContact NH2-CZ2 3.29Å; I119-W153 HydrophobicContact CD1-CH2 4.32Å; I119-W153 HydrophobicContact CD1-CZ3 3.97Å; I119-W153 HydrophobicContact CG1-CH2 4.13Å; I119-W153 HydrophobicContact CG1-CZ3 4.23Å; W153-L157 HydrophobicContact CE3-CD1 3.88Å; W153-L157 HydrophobicContact CZ3-CD1 3.87Å; W153-L157 WeakPolarHBondContact O-CG 2.93Å; W153-L157 PolarHBondContact O-N 3.49Å; W153-I190 HydrophobicContact CB-CG2 3.79Å; W153-D191 PolarHBondContact N-O 3.22Å; W153-F192 HydrophobicContact CB-CD1 4.09Å; W153-F192 HydrophobicContact CB-CE1 4.03Å
154F94Very high92.9Very high3 Ų323.1 Ų23.11%0.01311%0.114CC..Hα-helixtrans-75.9-46.9177.5168.6-102.2000110.3L26 I27 L30 R118 I119 A122 D152 H156 L157 M158L26-F154 HydrophobicContact CD2-CE1 4.46Å; I27-F154 HydrophobicContact CB-CE1 4.26Å; I27-F154 HydrophobicContact CD1-CE1 4.1Å; I27-F154 HydrophobicContact CD1-CZ 3.97Å; L30-F154 HydrophobicContact CD1-CE1 4.16Å; L30-F154 HydrophobicContact CD1-CZ 3.63Å; R118-F154 HydrophobicContact CB-CD2 3.74Å; R118-F154 HydrophobicContact CB-CE1 4.36Å; R118-F154 HydrophobicContact CB-CE2 3.54Å; R118-F154 HydrophobicContact CB-CG 4.24Å; R118-F154 HydrophobicContact CB-CZ 3.86Å; I119-F154 HydrophobicContact CD1-CD2 4.13Å; I119-F154 HydrophobicContact CD1-CE2 4.44Å; A122-F154 HydrophobicContact CB-CE2 4.4Å; D152-F154 PolarHBondContact O-N 3.39Å; D152-F154 VanDerWaalsContact O-N 3.16Å; D152-F154 VanDerWaalsContact OD1-CA 3.27Å; D152-F154 WeakPolarHBondContact OD1-CA 3.44Å; D152-F154 VanDerWaalsContact OD1-CB 3.23Å; D152-F154 WeakPolarHBondContact OD1-CB 3.38Å; D152-F154 PolarHBondContact OD1-N 3.36Å; F154-H156 VanDerWaalsContact C-N 3.28Å; F154-H156 PolarHBondContact O-N 3.08Å; F154-L157 PolarHBondContact O-N 2.94Å; F154-L157 VanDerWaalsContact O-N 3.16Å; F154-M158 HydrophobicContact CD1-CG 4.48Å; F154-M158 HydrophobicContact CD2-CE 4.31Å; F154-M158 HydrophobicContact CD2-CG 4.35Å; F154-M158 HydrophobicContact CE1-CG 4.03Å; F154-M158 HydrophobicContact CE2-CE 3.88Å; F154-M158 HydrophobicContact CE2-CG 3.87Å; F154-M158 HydrophobicContact CE2-SD 3.88Å; F154-M158 HydrophobicContact CZ-CG 3.71Å; F154-M158 HydrophobicContact CZ-SD 3.98Å; F154-M158 WeakPolarHBondContact O-CG 3.46Å; F154-M158 PolarHBondContact O-N 3.4Å
155E94.4Very high92.8Very high14 Ų1426.3 Ų26.37%0.06513%0.128CC..Hα-helixtrans-53.6-46.3172.3-74.1169.3153.300111I9 G10 L26 L151 D152 L157 M158 V159 K418I9-E155 HydrophobicContact CG2-CB 3.84Å; I9-E155 HydrophobicContact CG2-CG 3.98Å; G10-E155 PolarHBondContact N-OE1 3.28Å; L26-E155 HydrophobicContact CD2-CG 4.31Å; L151-E155 HydrophobicContact CB-CB 4.11Å; D152-E155 PolarHBondContact N-OE2 2.92Å; D152-E155 WeakPolarHBondContact O-CB 3.3Å; D152-E155 PolarHBondContact O-N 2.9Å; D152-E155 PolarHBondContact OD1-N 3.21Å; D152-E155 VanDerWaalsContact OD2-CG 3.24Å; D152-E155 WeakPolarHBondContact OD2-CG 3.36Å; D152-E155 VanDerWaalsContact OD2-OE2 3.11Å; E155-L157 PolarHBondContact O-N 3.46Å; E155-M158 PolarHBondContact O-N 2.88Å; E155-V159 WeakPolarHBondContact O-CG2 2.98Å; E155-V159 PolarHBondContact O-N 3.46Å; E155-K418 IonicContact OE1-NZ 3.2Å; E155-K418 PolarHBondContact OE1-NZ 3.3Å; E155-K418 IonicContact OE2-NZ 3.53Å; E155-K418 PolarHBondContact OE2-NZ 2.87Å
156H95.2Very high92.7Very high22 Ų2229.4 Ų29.410%0.10215%0.146CC..Hα-helixtrans-60-45.1177.2-177.1-74.5000112.4L151 D152 F154 M158 V159 E160 I190L151-H156 HydrophobicContact CB-CB 4.21Å; D152-H156 PolarHBondContact O-N 3.29Å; F154-H156 VanDerWaalsContact C-N 3.28Å; F154-H156 PolarHBondContact O-N 3.08Å; H156-M158 VanDerWaalsContact C-N 3.29Å; H156-M158 PolarHBondContact O-N 3.49Å; H156-V159 PolarHBondContact O-N 2.81Å; H156-E160 WeakPolarHBondContact O-CB 3.42Å; H156-E160 PolarHBondContact O-N 3.21Å; H156-I190 HydrophobicContact CB-CG1 4.13Å; H156-I190 WeakPolarHBondContact CD2-CG1 3.26Å
157L95.6Very high92.7Very high0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-61.5-38.6176.4-74.6175.2000112.1Y81 C84 R85 L88 I119 W153 F154 E155 E160 I161Y81-L157 HydrophobicContact CD2-CD1 4.22Å; Y81-L157 HydrophobicContact CD2-CD2 4.46Å; Y81-L157 HydrophobicContact CD2-CG 4.25Å; Y81-L157 HydrophobicContact CE2-CD1 4.14Å; Y81-L157 HydrophobicContact CE2-CD2 3.61Å; Y81-L157 HydrophobicContact CE2-CG 3.69Å; C84-L157 HydrophobicContact CB-CD1 4.41Å; R85-L157 HydrophobicContact CB-CD2 4.11Å; R85-L157 HydrophobicContact CG-CD2 3.86Å; L88-L157 HydrophobicContact CD2-CB 4.4Å; I119-L157 HydrophobicContact CD1-CD1 4.18Å; W153-L157 HydrophobicContact CE3-CD1 3.88Å; W153-L157 HydrophobicContact CZ3-CD1 3.87Å; W153-L157 WeakPolarHBondContact O-CG 2.93Å; W153-L157 PolarHBondContact O-N 3.49Å; F154-L157 PolarHBondContact O-N 2.94Å; F154-L157 VanDerWaalsContact O-N 3.16Å; E155-L157 PolarHBondContact O-N 3.46Å; L157-E160 WeakPolarHBondContact O-CB 3.22Å; L157-E160 PolarHBondContact O-N 2.94Å; L157-I161 WeakPolarHBondContact O-CG1 3.4Å; L157-I161 PolarHBondContact O-N 3.29Å; L157-I161 VanDerWaalsContact O-N 3.1Å
158M96.9Very high92.7Very high8 Ų830.8 Ų30.84%0.03916%0.159CC..Hα-helixtrans-70-39.9179-64.6-55.396.800111.3L26 L30 L88 A122 F154 E155 H156 E160 I161 M162L26-M158 HydrophobicContact CD2-CB 3.62Å; L26-M158 HydrophobicContact CD2-CG 3.82Å; L30-M158 HydrophobicContact CD1-CG 4.03Å; L30-M158 HydrophobicContact CD1-SD 3.86Å; L88-M158 HydrophobicContact CD2-CE 3.95Å; A122-M158 HydrophobicContact CB-CE 3.74Å; A122-M158 HydrophobicContact CB-SD 3.67Å; F154-M158 HydrophobicContact CD1-CG 4.48Å; F154-M158 HydrophobicContact CD2-CE 4.31Å; F154-M158 HydrophobicContact CD2-CG 4.35Å; F154-M158 HydrophobicContact CE1-CG 4.03Å; F154-M158 HydrophobicContact CE2-CE 3.88Å; F154-M158 HydrophobicContact CE2-CG 3.87Å; F154-M158 HydrophobicContact CE2-SD 3.88Å; F154-M158 HydrophobicContact CZ-CG 3.71Å; F154-M158 HydrophobicContact CZ-SD 3.98Å; F154-M158 WeakPolarHBondContact O-CG 3.46Å; F154-M158 PolarHBondContact O-N 3.4Å; E155-M158 PolarHBondContact O-N 2.88Å; H156-M158 VanDerWaalsContact C-N 3.29Å; H156-M158 PolarHBondContact O-N 3.49Å; M158-E160 VanDerWaalsContact C-N 3.34Å; M158-I161 HydrophobicContact CE-CD1 3.78Å; M158-I161 PolarHBondContact O-N 2.79Å; M158-I161 HydrophobicContact SD-CD1 4.39Å; M158-M162 VanDerWaalsContact O-CG 3.23Å; M158-M162 WeakPolarHBondContact O-CG 3.46Å; M158-M162 PolarHBondContact O-N 3.1Å
159V95.9Very high92.9Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-66.5-36.1174.4179.60000111.2I9 V146 L151 E155 H156 M162 A163 L170 F172 L185I9-V159 HydrophobicContact CD1-CG2 3.91Å; I9-V159 HydrophobicContact CG2-CG2 3.85Å; V146-V159 HydrophobicContact CG2-CG2 4.11Å; L151-V159 HydrophobicContact CD1-CB 4.42Å; L151-V159 HydrophobicContact CD1-CG2 4.04Å; E155-V159 WeakPolarHBondContact O-CG2 2.98Å; E155-V159 PolarHBondContact O-N 3.46Å; H156-V159 PolarHBondContact O-N 2.81Å; V159-M162 PolarHBondContact O-N 3.24Å; V159-A163 VanDerWaalsContact O-CB 3.29Å; V159-A163 WeakPolarHBondContact O-CB 3.43Å; V159-A163 PolarHBondContact O-N 3.43Å; V159-L170 HydrophobicContact CG1-CD2 4.28Å; V159-F172 HydrophobicContact CG1-CE1 3.94Å; V159-F172 HydrophobicContact CG1-CZ 3.64Å; V159-L185 HydrophobicContact CB-CD1 4.17Å; V159-L185 HydrophobicContact CG1-CD1 3.83Å
160E95.1Very high93.1Very high20 Ų2031.1 Ų31.19%0.09316%0.157CC..Hα-helixtrans-54-54.5170.4-176.1-177.4153.700110.8R85 H156 L157 M158 M162 A163 D164 L185R85-E160 IonicContact CZ-OE1 3.61Å; R85-E160 IonicContact NE-OE1 3.68Å; R85-E160 PolarHBondContact NE-OE1 3.16Å; R85-E160 IonicContact NE-OE2 3.62Å; R85-E160 IonicContact NH2-OE1 2.82Å; R85-E160 PolarHBondContact NH2-OE1 3.4Å; H156-E160 WeakPolarHBondContact O-CB 3.42Å; H156-E160 PolarHBondContact O-N 3.21Å; L157-E160 WeakPolarHBondContact O-CB 3.22Å; L157-E160 PolarHBondContact O-N 2.94Å; M158-E160 VanDerWaalsContact C-N 3.34Å; E160-M162 PolarHBondContact O-N 3.41Å; E160-A163 PolarHBondContact O-N 3.09Å; E160-D164 VanDerWaalsContact O-CG 3.31Å; E160-D164 PolarHBondContact O-N 3.36Å; E160-L185 HydrophobicContact CB-CD2 3.97Å; E160-L185 HydrophobicContact CG-CD2 4.34Å
161I94.8Very high93.2Very high22 Ų2228.7 Ų28.711%0.11315%0.152CC..Hα-helixtrans-57.7-49.3176-65.4166.3000111.1L88 Y89 L126 L157 M158 A163 D164 F165L88-I161 HydrophobicContact CD1-CD1 4.11Å; L88-I161 HydrophobicContact CD2-CD1 3.62Å; L88-I161 HydrophobicContact CD2-CG1 4.45Å; L88-I161 HydrophobicContact CG-CD1 4.18Å; Y89-I161 HydrophobicContact CE1-CG1 4.2Å; Y89-I161 WeakPolarHBondContact OH-CG1 3.41Å; L126-I161 HydrophobicContact CD1-CG2 4.48Å; L157-I161 WeakPolarHBondContact O-CG1 3.4Å; L157-I161 PolarHBondContact O-N 3.29Å; L157-I161 VanDerWaalsContact O-N 3.1Å; M158-I161 HydrophobicContact CE-CD1 3.78Å; M158-I161 PolarHBondContact O-N 2.79Å; M158-I161 HydrophobicContact SD-CD1 4.39Å; I161-A163 VanDerWaalsContact C-N 3.27Å; I161-A163 PolarHBondContact O-N 3.32Å; I161-D164 PolarHBondContact O-N 2.82Å; I161-F165 HydrophobicContact CG2-CD2 3.64Å; I161-F165 HydrophobicContact CG2-CE2 3.85Å; I161-F165 VanDerWaalsContact O-CD2 3.31Å; I161-F165 WeakPolarHBondContact O-CD2 3.17Å; I161-F165 PolarHBondContact O-N 2.83Å
162M95.4Very high93.2Very high14 Ų1429.6 Ų29.67%0.06916%0.156CC..Hα-helixtrans-62.6-35.1-177.2-68.6172.7-178.400112.5I9 L26 Y144 M158 V159 E160 N166 V167 L170I9-M162 HydrophobicContact CD1-SD 4.24Å; L26-M162 HydrophobicContact CD1-CE 3.83Å; Y144-M162 HydrophobicContact CD1-CE 3.58Å; Y144-M162 HydrophobicContact CD1-SD 3.9Å; Y144-M162 HydrophobicContact CD2-SD 4.37Å; Y144-M162 HydrophobicContact CE1-CE 3.38Å; Y144-M162 HydrophobicContact CE1-SD 4.19Å; Y144-M162 HydrophobicContact CG-CE 4.25Å; Y144-M162 HydrophobicContact CG-SD 3.99Å; M158-M162 VanDerWaalsContact O-CG 3.23Å; M158-M162 WeakPolarHBondContact O-CG 3.46Å; M158-M162 PolarHBondContact O-N 3.1Å; V159-M162 PolarHBondContact O-N 3.24Å; E160-M162 PolarHBondContact O-N 3.41Å; M162-N166 PolarHBondContact O-N 3.48Å; M162-V167 HydrophobicContact CB-CB 4.17Å; M162-V167 HydrophobicContact CB-CG2 3.91Å; M162-V167 HydrophobicContact CG-CG2 4.13Å; M162-V167 WeakPolarHBondContact O-CG2 3.36Å; M162-V167 PolarHBondContact O-N 3.28Å; M162-L170 HydrophobicContact CB-CD2 3.91Å; M162-L170 HydrophobicContact SD-CD1 4.31Å
163A92.8Very high93.1Very high7 Ų733.4 Ų33.46%0.05818%0.181CC..Hα-helixtrans-69.7-44.1174.900000111.5V159 E160 I161 F165 N166 K181 L185V159-A163 VanDerWaalsContact O-CB 3.29Å; V159-A163 WeakPolarHBondContact O-CB 3.43Å; V159-A163 PolarHBondContact O-N 3.43Å; E160-A163 PolarHBondContact O-N 3.09Å; I161-A163 VanDerWaalsContact C-N 3.27Å; I161-A163 PolarHBondContact O-N 3.32Å; A163-F165 VanDerWaalsContact C-N 3.35Å; A163-F165 PolarHBondContact O-N 3.36Å; A163-N166 WeakPolarHBondContact O-CA 3.15Å; A163-N166 PolarHBondContact O-N 3.06Å; A163-K181 HydrophobicContact CB-CB 4.24Å; A163-L185 HydrophobicContact CB-CD2 4.22Å
164D91.5Very high92.6Very high81 Ų8135 Ų3543%0.43320%0.195SC..Hα-helixtrans-59.9-43.1177.5-74-10.6000111.9E160 I161 N166 F182E160-D164 VanDerWaalsContact O-CG 3.31Å; E160-D164 PolarHBondContact O-N 3.36Å; I161-D164 PolarHBondContact O-N 2.82Å; D164-N166 PolarHBondContact O-N 2.54Å; D164-F182 WeakPolarHBondContact OD1-CE2 3.36Å; D164-F182 VanDerWaalsContact OD1-CZ 3.3Å; D164-F182 WeakPolarHBondContact OD1-CZ 3.42Å
165F91.2Very high92Very high69 Ų6935.9 Ų35.930%0.30320%0.2SC..THydrogen-bonded Turntrans-80.50.8175.4-76.9-81.8000113.9L126 F129 F130 F140 I161 A163 V167L126-F165 HydrophobicContact CD1-CE2 3.87Å; L126-F165 HydrophobicContact CD1-CZ 4.07Å; F129-F165 HydrophobicContact CD1-CE1 4.02Å; F129-F165 HydrophobicContact CD1-CZ 4.31Å; F129-F165 AromaticContact CE1-CD1 3.56Å; F129-F165 HydrophobicContact CE1-CD1 3.56Å; F129-F165 AromaticContact CE1-CE1 3.38Å; F129-F165 HydrophobicContact CE1-CE1 3.38Å; F129-F165 HydrophobicContact CE1-CG 4.38Å; F129-F165 HydrophobicContact CE1-CZ 4.08Å; F129-F165 AromaticContact CZ-CD1 3.87Å; F129-F165 HydrophobicContact CZ-CD1 3.87Å; F129-F165 HydrophobicContact CZ-CE1 4.17Å; F129-F165 HydrophobicContact CZ-CG 4.43Å; F130-F165 HydrophobicContact CE1-CE1 4Å; F130-F165 AromaticContact CE1-CZ 3.96Å; F130-F165 HydrophobicContact CE1-CZ 3.96Å; F130-F165 HydrophobicContact CZ-CE1 4.27Å; F130-F165 AromaticContact CZ-CZ 3.74Å; F130-F165 HydrophobicContact CZ-CZ 3.74Å; F140-F165 HydrophobicContact CE1-CB 4.3Å; F140-F165 HydrophobicContact CZ-CB 4.25Å; I161-F165 HydrophobicContact CG2-CD2 3.64Å; I161-F165 HydrophobicContact CG2-CE2 3.85Å; I161-F165 VanDerWaalsContact O-CD2 3.31Å; I161-F165 WeakPolarHBondContact O-CD2 3.17Å; I161-F165 PolarHBondContact O-N 2.83Å; A163-F165 VanDerWaalsContact C-N 3.35Å; A163-F165 PolarHBondContact O-N 3.36Å; F165-V167 VanDerWaalsContact C-N 3.31Å; F165-V167 HydrophobicContact CB-CG2 4.48Å; F165-V167 PolarHBondContact O-N 3.17Å
166N91Very high90.6Very high105 Ų10541 Ų4156%0.56124%0.237SC*.THydrogen-bonded Turntrans52.542.9-178.6-168.121.1000113.7M162 A163 D164 P168 K181M162-N166 PolarHBondContact O-N 3.48Å; A163-N166 WeakPolarHBondContact O-CA 3.15Å; A163-N166 PolarHBondContact O-N 3.06Å; D164-N166 PolarHBondContact O-N 2.54Å; N166-P168 WeakPolarHBondContact O-CD 3.28Å; N166-P168 VanDerWaalsContact O-N 3.13Å; N166-K181 PolarHBondContact O-NZ 2.81Å; N166-K181 PolarHBondContact OD1-NZ 3.4Å
167V92.9Very high89.1Confident7 Ų742.4 Ų42.44%0.04225%0.247CC..  trans-51.1117.1-179.2170.40000110.7F140 Y144 M162 F165 H169 L170 K181F140-V167 HydrophobicContact CD1-CG2 4.1Å; F140-V167 HydrophobicContact CE1-CG2 3.96Å; Y144-V167 HydrophobicContact CD2-CG1 3.83Å; Y144-V167 HydrophobicContact CE2-CG1 3.64Å; M162-V167 HydrophobicContact CB-CB 4.17Å; M162-V167 HydrophobicContact CB-CG2 3.91Å; M162-V167 HydrophobicContact CG-CG2 4.13Å; M162-V167 WeakPolarHBondContact O-CG2 3.36Å; M162-V167 PolarHBondContact O-N 3.28Å; F165-V167 VanDerWaalsContact C-N 3.31Å; F165-V167 HydrophobicContact CB-CG2 4.48Å; F165-V167 PolarHBondContact O-N 3.17Å; V167-H169 PolarHBondContact O-N 3.28Å; V167-L170 HydrophobicContact CB-CB 4.47Å; V167-L170 HydrophobicContact CG1-CB 4.48Å; V167-L170 PolarHBondContact O-N 2.89Å; V167-K181 VanDerWaalsContact C-NZ 3.32Å; V167-K181 VanDerWaalsContact O-CE 3.28Å; V167-K181 WeakPolarHBondContact O-CE 3.16Å; V167-K181 PolarHBondContact O-NZ 2.92Å
168P90.5Very high87.8Confident72 Ų7249.7 Ų49.747%0.46829%0.292SS..THydrogen-bonded Turntrans-55.8-44.5-165.5-29.935000115.1F140 N166 L170F140-P168 HydrophobicContact CD2-CG 4.49Å; N166-P168 WeakPolarHBondContact O-CD 3.28Å; N166-P168 VanDerWaalsContact O-N 3.13Å; P168-L170 PolarHBondContact O-N 3.23Å
169H92.2Very high86.8Confident70 Ų7052.4 Ų52.432%0.32431%0.307SS..THydrogen-bonded Turntrans-99.228.1-173-56.7-66.3000113.7Y142 H143 Y144 V167Y142-H169 WeakPolarHBondContact O-CB 3.21Å; H143-H169 AromaticContact NE2-ND1 3.79Å; Y144-H169 PolarHBondContact N-O 3.27Å; V167-H169 PolarHBondContact O-N 3.28Å
170L93.3Very high86.3Confident10 Ų1056 Ų565%0.05233%0.332CS..EExtended strand (participates in β ladder)trans-81.7116.6166177.667.1000109.7V146 V159 M162 V167 P168 F172 K181V146-L170 HydrophobicContact CG2-CD1 3.85Å; V159-L170 HydrophobicContact CG1-CD2 4.28Å; M162-L170 HydrophobicContact CB-CD2 3.91Å; M162-L170 HydrophobicContact SD-CD1 4.31Å; V167-L170 HydrophobicContact CB-CB 4.47Å; V167-L170 HydrophobicContact CG1-CB 4.48Å; V167-L170 PolarHBondContact O-N 2.89Å; P168-L170 PolarHBondContact O-N 3.23Å; L170-F172 HydrophobicContact CD1-CE2 4.47Å; L170-F172 HydrophobicContact CD2-CE2 3.88Å; L170-F172 HydrophobicContact CD2-CZ 4.04Å; L170-F172 HydrophobicContact CG-CE2 3.81Å; L170-F172 HydrophobicContact CG-CZ 4.24Å; L170-K181 HydrophobicContact CB-CD 4.41Å; L170-K181 HydrophobicContact CD2-CD 4.33Å
171C91.6Very high86Confident52 Ų5257 Ų5735%0.35134%0.336SS..EExtended strand (participates in β ladder)trans-124.8152-179.969.80000113Y144 V146 P173Y144-C171 PolarHBondContact O-N 3.42Å; Y144-C171 PolarHBondContact O-SG 3.47Å; Y144-C171 VanDerWaalsContact O-SG 3.4Å; V146-C171 WeakPolarHBondContact CB-O 3.38Å; V146-C171 PolarHBondContact N-O 3.4Å; C171-P173 WeakPolarHBondContact O-CD 3.1Å
172F92.2Very high85.6Confident18 Ų1861.8 Ų61.88%0.07936%0.356CS..  trans-123.371.9-179.5-62.7-101.5000110.6V146 V159 L170 C174 L175 K181 C184V146-F172 HydrophobicContact CB-CD1 3.64Å; V146-F172 HydrophobicContact CB-CE1 4Å; V146-F172 HydrophobicContact CB-CG 4.18Å; V146-F172 HydrophobicContact CG1-CD1 3.67Å; V146-F172 HydrophobicContact CG1-CE1 3.93Å; V146-F172 HydrophobicContact CG2-CD1 3.9Å; V146-F172 HydrophobicContact CG2-CE1 3.77Å; V146-F172 HydrophobicContact CG2-CG 4.44Å; V146-F172 HydrophobicContact CG2-CZ 4.18Å; V159-F172 HydrophobicContact CG1-CE1 3.94Å; V159-F172 HydrophobicContact CG1-CZ 3.64Å; L170-F172 HydrophobicContact CD1-CE2 4.47Å; L170-F172 HydrophobicContact CD2-CE2 3.88Å; L170-F172 HydrophobicContact CD2-CZ 4.04Å; L170-F172 HydrophobicContact CG-CE2 3.81Å; L170-F172 HydrophobicContact CG-CZ 4.24Å; F172-C174 PolarHBondContact O-N 3.06Å; F172-C174 VanDerWaalsContact O-N 3.1Å; F172-L175 HydrophobicContact CB-CB 4.23Å; F172-L175 HydrophobicContact CB-CD1 4.36Å; F172-L175 HydrophobicContact CD1-CD1 4.26Å; F172-L175 CarbonylContact O-C 3.59Å; F172-L175 PolarHBondContact O-N 3.44Å; F172-K181 HydrophobicContact CE2-CB 4.43Å; F172-C184 HydrophobicContact CB-CB 4.15Å; F172-C184 HydrophobicContact CD1-CB 3.75Å; F172-C184 HydrophobicContact CD2-CB 3.48Å; F172-C184 VanDerWaalsContact CD2-CB 3.48Å; F172-C184 HydrophobicContact CE1-CB 3.9Å; F172-C184 HydrophobicContact CE2-CB 3.66Å; F172-C184 HydrophobicContact CG-CB 3.53Å; F172-C184 HydrophobicContact CZ-CB 3.87Å
173P87.2Confident85.2Confident86 Ų8665.4 Ų65.456%0.55837%0.37SS*.THydrogen-bonded Turntrans-59.2-25.4-176.9-24.634.8000114.3I145 V146 C171 L175I145-P173 HydrophobicContact CG2-CG 3.78Å; V146-P173 WeakPolarHBondContact O-CD 3.43Å; C171-P173 WeakPolarHBondContact O-CD 3.1Å; P173-L175 PolarHBondContact O-N 2.71Å
174C81Confident85.2Confident54 Ų5465.3 Ų65.337%0.36537%0.368SS..THydrogen-bonded Turntrans-70.3-15.2176.259.10000113.7V146 F172V146-C174 PolarHBondContact O-SG 3.36Å; F172-C174 PolarHBondContact O-N 3.06Å; F172-C174 VanDerWaalsContact O-N 3.1Å
175L80.9Confident85.1Confident23 Ų2362 Ų6212%0.1235%0.351CS..SBendtrans-120.889.2-178.8-59.7174000108N149 F172 P173 T177 C184 R187N149-L175 HydrophobicContact CB-CD2 4.45Å; F172-L175 HydrophobicContact CB-CB 4.23Å; F172-L175 HydrophobicContact CB-CD1 4.36Å; F172-L175 HydrophobicContact CD1-CD1 4.26Å; F172-L175 CarbonylContact O-C 3.59Å; F172-L175 PolarHBondContact O-N 3.44Å; P173-L175 PolarHBondContact O-N 2.71Å; L175-T177 VanDerWaalsContact C-N 3.26Å; L175-T177 PolarHBondContact O-N 3.4Å; L175-T177 PolarHBondContact O-OG1 2.9Å; L175-C184 HydrophobicContact CD1-CB 4.11Å; L175-C184 WeakPolarHBondContact CD1-O 3.45Å; L175-R187 HydrophobicContact CD1-CB 3.94Å; L175-R187 HydrophobicContact CD2-CB 4.36Å
176S65.9Low85.1Confident122 Ų12268.2 Ų68.285%0.85337%0.372SS*.  trans-61.968.7-172.264.70000114.6
177T64.3Low85.1Confident51 Ų5168 Ų6831%0.31336%0.363SS..  trans-143.6146.1-165.363.90000112.8L175 D179L175-T177 VanDerWaalsContact C-N 3.26Å; L175-T177 PolarHBondContact O-N 3.4Å; L175-T177 PolarHBondContact O-OG1 2.9Å; T177-D179 VanDerWaalsContact CB-CG 3.45Å; T177-D179 WeakPolarHBondContact CB-OD2 3.41Å; T177-D179 VanDerWaalsContact CG2-OD2 3.24Å; T177-D179 WeakPolarHBondContact CG2-OD2 3.03Å; T177-D179 PolarHBondContact O-N 3.15Å; T177-D179 PolarHBondContact OG1-OD2 3.21Å
178T67.6Low85.1Confident153 Ų15368.2 Ų68.294%0.93937%0.366SS*.  trans-8319.5163.650.10000111.4
179D75.8Confident85.1Confident65 Ų6570 Ų7035%0.34837%0.368SS..  trans-75.2159.9-170.7-66.9-25.1000111.5T177 Y183T177-D179 VanDerWaalsContact CB-CG 3.45Å; T177-D179 WeakPolarHBondContact CB-OD2 3.41Å; T177-D179 VanDerWaalsContact CG2-OD2 3.24Å; T177-D179 WeakPolarHBondContact CG2-OD2 3.03Å; T177-D179 PolarHBondContact O-N 3.15Å; T177-D179 PolarHBondContact OG1-OD2 3.21Å; D179-Y183 HydrophobicContact CB-CD1 3.53Å; D179-Y183 HydrophobicContact CB-CE1 4.29Å; D179-Y183 HydrophobicContact CB-CG 4.26Å; D179-Y183 WeakPolarHBondContact OD2-CD1 3.23Å; D179-Y183 WeakPolarHBondContact OD2-CE1 3.34Å
180S86.2Confident85.1Confident76 Ų7669 Ų6953%0.53136%0.364SS..  trans-59.4146.5174.1730000110.9F182 Y183 C184S180-F182 PolarHBondContact O-N 2.85Å; S180-F182 VanDerWaalsContact O-N 3.15Å; S180-Y183 WeakPolarHBondContact O-CA 3.49Å; S180-Y183 WeakPolarHBondContact O-CB 3.17Å; S180-Y183 PolarHBondContact O-N 3.48Å; S180-Y183 WeakPolarHBondContact OG-CB 3.31Å; S180-Y183 PolarHBondContact OG-N 3.41Å; S180-C184 PolarHBondContact O-N 3.41Å
181K87.1Confident84.9Confident40 Ų4070.1 Ų70.117%0.17437%0.37CS..Hα-helixtrans-54.5-36177.3-66.3168.3-172.4159.60112.3A163 N166 V167 L170 F172 Y183 C184 L185A163-K181 HydrophobicContact CB-CB 4.24Å; N166-K181 PolarHBondContact O-NZ 2.81Å; N166-K181 PolarHBondContact OD1-NZ 3.4Å; V167-K181 VanDerWaalsContact C-NZ 3.32Å; V167-K181 VanDerWaalsContact O-CE 3.28Å; V167-K181 WeakPolarHBondContact O-CE 3.16Å; V167-K181 PolarHBondContact O-NZ 2.92Å; L170-K181 HydrophobicContact CB-CD 4.41Å; L170-K181 HydrophobicContact CD2-CD 4.33Å; F172-K181 HydrophobicContact CE2-CB 4.43Å; K181-Y183 VanDerWaalsContact C-N 3.35Å; K181-C184 PolarHBondContact O-N 3.43Å; K181-L185 PolarHBondContact O-N 3.42Å
182F86.5Confident84.6Confident123 Ų12370.5 Ų70.554%0.53937%0.366SS..Hα-helixtrans-61.5-42.6175.7-129.9-78000112.4D164 S180 L185 W186D164-F182 WeakPolarHBondContact OD1-CE2 3.36Å; D164-F182 VanDerWaalsContact OD1-CZ 3.3Å; D164-F182 WeakPolarHBondContact OD1-CZ 3.42Å; S180-F182 PolarHBondContact O-N 2.85Å; S180-F182 VanDerWaalsContact O-N 3.15Å; F182-L185 PolarHBondContact O-N 3.48Å; F182-W186 WeakPolarHBondContact O-CB 3.3Å; F182-W186 PolarHBondContact O-N 2.71Å
183Y88.7Confident83.9Confident89 Ų8971.9 Ų71.935%0.34938%0.378SS..Hα-helixtrans-68.7-39.5177.5-175.4-99.6000112D179 S180 K181 W186 R187D179-Y183 HydrophobicContact CB-CD1 3.53Å; D179-Y183 HydrophobicContact CB-CE1 4.29Å; D179-Y183 HydrophobicContact CB-CG 4.26Å; D179-Y183 WeakPolarHBondContact OD2-CD1 3.23Å; D179-Y183 WeakPolarHBondContact OD2-CE1 3.34Å; S180-Y183 WeakPolarHBondContact O-CA 3.49Å; S180-Y183 WeakPolarHBondContact O-CB 3.17Å; S180-Y183 PolarHBondContact O-N 3.48Å; S180-Y183 WeakPolarHBondContact OG-CB 3.31Å; S180-Y183 PolarHBondContact OG-N 3.41Å; K181-Y183 VanDerWaalsContact C-N 3.35Å; Y183-W186 HydrophobicContact CE2-CE3 4.41Å; Y183-W186 PolarHBondContact O-N 3.17Å; Y183-R187 HydrophobicContact CE1-CG 4.47Å; Y183-R187 VanDerWaalsContact CE1-NH2 3.31Å; Y183-R187 PolarHBondContact O-N 3.35Å; Y183-R187 PolarHBondContact OH-NE 2.83Å; Y183-R187 PolarHBondContact OH-NH2 3.24Å
184C91Very high83.4Confident5 Ų569.1 Ų69.13%0.03436%0.359CS..Hα-helixtrans-61.6-45.8174-64.80000111.8F172 L175 S180 K181 W186 R187 C188F172-C184 HydrophobicContact CB-CB 4.15Å; F172-C184 HydrophobicContact CD1-CB 3.75Å; F172-C184 HydrophobicContact CD2-CB 3.48Å; F172-C184 VanDerWaalsContact CD2-CB 3.48Å; F172-C184 HydrophobicContact CE1-CB 3.9Å; F172-C184 HydrophobicContact CE2-CB 3.66Å; F172-C184 HydrophobicContact CG-CB 3.53Å; F172-C184 HydrophobicContact CZ-CB 3.87Å; L175-C184 HydrophobicContact CD1-CB 4.11Å; L175-C184 WeakPolarHBondContact CD1-O 3.45Å; S180-C184 PolarHBondContact O-N 3.41Å; K181-C184 PolarHBondContact O-N 3.43Å; C184-W186 VanDerWaalsContact C-N 3.31Å; C184-W186 PolarHBondContact O-N 3.44Å; C184-R187 WeakPolarHBondContact O-CB 3.29Å; C184-R187 PolarHBondContact O-N 3.04Å; C184-R187 VanDerWaalsContact O-N 3.13Å; C184-C188 PolarHBondContact O-N 3.07Å
185L91Very high83.2Confident11 Ų1171.2 Ų71.26%0.05836%0.36CS..Hα-helixtrans-58.8-41.8173.8172.465.2000111.9V159 E160 A163 K181 F182 R187 C188V159-L185 HydrophobicContact CB-CD1 4.17Å; V159-L185 HydrophobicContact CG1-CD1 3.83Å; E160-L185 HydrophobicContact CB-CD2 3.97Å; E160-L185 HydrophobicContact CG-CD2 4.34Å; A163-L185 HydrophobicContact CB-CD2 4.22Å; K181-L185 PolarHBondContact O-N 3.42Å; F182-L185 PolarHBondContact O-N 3.48Å; L185-R187 PolarHBondContact O-N 3.11Å; L185-C188 VanDerWaalsContact O-CB 3.26Å; L185-C188 WeakPolarHBondContact O-CB 3.36Å; L185-C188 PolarHBondContact O-N 3.26Å
186W90.2Very high83.3Confident201 Ų20171.9 Ų71.976%0.76136%0.361SS*.Hα-helixtrans-62.6-23178.8-17276.1000113.3F182 Y183 C184F182-W186 WeakPolarHBondContact O-CB 3.3Å; F182-W186 PolarHBondContact O-N 2.71Å; Y183-W186 HydrophobicContact CE2-CE3 4.41Å; Y183-W186 PolarHBondContact O-N 3.17Å; C184-W186 VanDerWaalsContact C-N 3.31Å; C184-W186 PolarHBondContact O-N 3.44Å
187R91.4Very high84Confident99 Ų9972.4 Ų72.437%0.37435%0.348SS..THydrogen-bonded Turntrans-85.2-6.5172.8-69.1-175.3170-1732.2113.7L175 Y183 C184 L185L175-R187 HydrophobicContact CD1-CB 3.94Å; L175-R187 HydrophobicContact CD2-CB 4.36Å; Y183-R187 HydrophobicContact CE1-CG 4.47Å; Y183-R187 VanDerWaalsContact CE1-NH2 3.31Å; Y183-R187 PolarHBondContact O-N 3.35Å; Y183-R187 PolarHBondContact OH-NE 2.83Å; Y183-R187 PolarHBondContact OH-NH2 3.24Å; C184-R187 WeakPolarHBondContact O-CB 3.29Å; C184-R187 PolarHBondContact O-N 3.04Å; C184-R187 VanDerWaalsContact O-N 3.13Å; L185-R187 PolarHBondContact O-N 3.11Å
188C92.1Very high84.6Confident13 Ų1374.3 Ų74.39%0.08835%0.353CS..PPolyproline II helixtrans-78.7139.2173.9-65.80000110.9N149 L151 C184 L185N149-C188 CarbonylContact O-C 3.39Å; N149-C188 WeakPolarHBondContact O-CA 3.45Å; N149-C188 WeakPolarHBondContact O-CB 3.35Å; L151-C188 HydrophobicContact CD1-CB 4.06Å; L151-C188 HydrophobicContact CG-CB 4.32Å; C184-C188 PolarHBondContact O-N 3.07Å; L185-C188 VanDerWaalsContact O-CB 3.26Å; L185-C188 WeakPolarHBondContact O-CB 3.36Å; L185-C188 PolarHBondContact O-N 3.26Å
189E91.6Very high85.4Confident109 Ų10968.3 Ų68.351%0.50932%0.317SS..EExtended strand (participates in β ladder)trans-97137.9171.6-66.5179.7177.400110N149 K150 L151N149-E189 PolarHBondContact O-N 2.84Å; K150-E189 VanDerWaalsContact CE-OE2 3.25Å; K150-E189 WeakPolarHBondContact CE-OE2 3.44Å; K150-E189 HydrophobicContact CG-CB 4.4Å; K150-E189 IonicContact NZ-OE2 2.89Å; L151-E189 PolarHBondContact N-O 3.1Å
190I91.4Very high85.9Confident49 Ų4966.2 Ų66.225%0.25131%0.306SS..EExtended strand (participates in β ladder)trans-85117.6175.7-53.6174.8000110Y81 W153 H156 F192Y81-I190 HydrophobicContact CE1-CD1 4.38Å; Y81-I190 HydrophobicContact CE2-CD1 4.32Å; W153-I190 HydrophobicContact CB-CG2 3.79Å; H156-I190 HydrophobicContact CB-CG1 4.13Å; H156-I190 WeakPolarHBondContact CD2-CG1 3.26Å; I190-F192 HydrophobicContact CB-CE2 3.92Å; I190-F192 HydrophobicContact CB-CZ 3.91Å; I190-F192 HydrophobicContact CD1-CZ 4.29Å; I190-F192 HydrophobicContact CG2-CD1 4.11Å; I190-F192 HydrophobicContact CG2-CD2 4.21Å; I190-F192 HydrophobicContact CG2-CE1 3.59Å; I190-F192 HydrophobicContact CG2-CE2 3.73Å; I190-F192 HydrophobicContact CG2-CG 4.4Å; I190-F192 HydrophobicContact CG2-CZ 3.39Å
191D88.5Confident86.1Confident34 Ų3462.9 Ų62.918%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-87.4107.7170-177.624.3000111L151 W153 S193 T194L151-D191 PolarHBondContact O-N 2.81Å; W153-D191 PolarHBondContact N-O 3.22Å; D191-S193 VanDerWaalsContact C-N 3.33Å; D191-S193 WeakPolarHBondContact OD1-CA 3.33Å; D191-S193 WeakPolarHBondContact OD1-CB 3.4Å; D191-S193 PolarHBondContact OD1-N 2.96Å; D191-S193 PolarHBondContact OD1-OG 3.19Å; D191-T194 PolarHBondContact OD2-N 3.34Å; D191-T194 PolarHBondContact OD2-OG1 2.86Å
192F85.5Confident86.3Confident59 Ų5961.9 Ų61.926%0.25928%0.279SS..SBendtrans-88.3-1.7171.5-60.9-72.8000113.2S77 Y81 W153 I190S77-F192 PolarHBondContact OG-O 3.29Å; Y81-F192 AromaticContact CD1-CE1 3.99Å; Y81-F192 HydrophobicContact CD1-CE1 3.99Å; Y81-F192 HydrophobicContact CD1-CZ 4.16Å; Y81-F192 HydrophobicContact CD2-CE1 4.26Å; Y81-F192 AromaticContact CG-CE1 3.68Å; Y81-F192 HydrophobicContact CG-CE1 3.68Å; Y81-F192 HydrophobicContact CG-CZ 4.29Å; W153-F192 HydrophobicContact CB-CD1 4.09Å; W153-F192 HydrophobicContact CB-CE1 4.03Å; I190-F192 HydrophobicContact CB-CE2 3.92Å; I190-F192 HydrophobicContact CB-CZ 3.91Å; I190-F192 HydrophobicContact CD1-CZ 4.29Å; I190-F192 HydrophobicContact CG2-CD1 4.11Å; I190-F192 HydrophobicContact CG2-CD2 4.21Å; I190-F192 HydrophobicContact CG2-CE1 3.59Å; I190-F192 HydrophobicContact CG2-CE2 3.73Å; I190-F192 HydrophobicContact CG2-CG 4.4Å; I190-F192 HydrophobicContact CG2-CZ 3.39Å
193S77.3Confident86.6Confident47 Ų4756.4 Ų56.433%0.32926%0.255SS..  trans-106.714.3-17275.70000113.8D191 R195D191-S193 VanDerWaalsContact C-N 3.33Å; D191-S193 WeakPolarHBondContact OD1-CA 3.33Å; D191-S193 WeakPolarHBondContact OD1-CB 3.4Å; D191-S193 PolarHBondContact OD1-N 2.96Å; D191-S193 PolarHBondContact OD1-OG 3.19Å; S193-R195 WeakPolarHBondContact O-CG 3.21Å; S193-R195 PolarHBondContact O-N 3.35Å; S193-R195 VanDerWaalsContact O-N 3.14Å
194T77.5Confident86.7Confident28 Ų2852.2 Ų52.217%0.17224%0.239CC..  trans-50.8120177-55.50000110.6D152 D191 Y196 K418D152-T194 WeakPolarHBondContact CB-OG1 3.34Å; D191-T194 PolarHBondContact OD2-N 3.34Å; D191-T194 PolarHBondContact OD2-OG1 2.86Å; T194-Y196 HydrophobicContact CG2-CE2 4.13Å; T194-K418 HydrophobicContact CG2-CD 3.97Å; T194-K418 HydrophobicContact CG2-CG 3.65Å
195R77.5Confident86.9Confident98 Ų9852 Ų5237%0.3724%0.237SC..EExtended strand (participates in β ladder)trans-104.1148.6-176.8-54.8-166-177.3-169.1-5.7110.3S193 I419 T455 T456S193-R195 WeakPolarHBondContact O-CG 3.21Å; S193-R195 PolarHBondContact O-N 3.35Å; S193-R195 VanDerWaalsContact O-N 3.14Å; R195-I419 HydrophobicContact CB-CB 4.42Å; R195-I419 HydrophobicContact CB-CD1 4.36Å; R195-I419 PolarHBondContact O-N 3.33Å; R195-T455 PolarHBondContact NH1-OG1 3.2Å; R195-T456 HydrophobicContact CB-CG2 3.81Å; R195-T456 HydrophobicContact CG-CG2 3.74Å
196Y81.7Confident87.1Confident37 Ų3751.5 Ų51.515%0.14524%0.235CC..EExtended strand (participates in β ladder)trans-115134.5173.3-62.5-90.7000109.8P50 K51 T194 E198 L417 K418P50-Y196 HydrophobicContact CB-CE1 3.94Å; P50-Y196 HydrophobicContact CB-CE2 3.85Å; P50-Y196 WeakPolarHBondContact CB-OH 3.45Å; P50-Y196 HydrophobicContact CG-CE1 4.23Å; K51-Y196 HydrophobicContact CB-CD2 4.09Å; K51-Y196 HydrophobicContact CB-CG 4.23Å; T194-Y196 HydrophobicContact CG2-CE2 4.13Å; Y196-E198 PolarHBondContact O-N 2.93Å; Y196-L417 CarbonylContact C-O 3.45Å; Y196-L417 WeakPolarHBondContact CA-O 3.24Å; Y196-L417 HydrophobicContact CD1-CB 4.05Å; Y196-K418 HydrophobicContact CD1-CB 4.27Å; Y196-K418 HydrophobicContact CE1-CB 3.98Å; Y196-K418 HydrophobicContact CE1-CG 4.32Å
197K80.4Confident87.3Confident133 Ų13342 Ų4258%0.57820%0.199SC*.  trans-62.7126.1173.4-174.1-179.8178.4-176.20108.2C199 L417 I419K197-C199 PolarHBondContact O-N 2.86Å; K197-L417 HydrophobicContact CB-CD2 4.45Å; K197-L417 PolarHBondContact N-O 3.21Å; K197-L417 WeakPolarHBondContact O-CD2 3.24Å; K197-I419 HydrophobicContact CB-CD1 3.93Å; K197-I419 HydrophobicContact CB-CG1 3.95Å
198E77.1Confident87.6Confident92 Ų9237.4 Ų37.443%0.4318%0.182SC..  trans-80.8117172.7-168.3-179.7153.700108.3Y196 V200 R459Y196-E198 PolarHBondContact O-N 2.93Å; E198-V200 HydrophobicContact CG-CG2 4.11Å; E198-V200 WeakPolarHBondContact OE1-CG2 3.33Å; E198-R459 WeakPolarHBondContact OE1-CD 3.34Å; E198-R459 WeakPolarHBondContact OE1-CG 3.18Å; E198-R459 IonicContact OE1-CZ 2.9Å; E198-R459 IonicContact OE1-NE 2.82Å; E198-R459 IonicContact OE1-NH1 3.86Å; E198-R459 PolarHBondContact OE1-NH1 2.84Å
199C85.7Confident87.7Confident27 Ų2736.8 Ų36.818%0.18218%0.178CC..  trans-129.785.3170.4-175.50000107.8K197 L201 L202 E203K197-C199 PolarHBondContact O-N 2.86Å; C199-L201 PolarHBondContact O-N 2.59Å; C199-L201 VanDerWaalsContact O-N 3.12Å; C199-L202 HydrophobicContact CB-CB 3.94Å; C199-L202 PolarHBondContact O-N 2.81Å; C199-L202 VanDerWaalsContact O-N 3.17Å; C199-L202 WeakPolarHBondContact SG-CB 2.97Å; C199-E203 PolarHBondContact N-OE1 2.91Å; C199-E203 WeakPolarHBondContact O-CB 3.36Å; C199-E203 WeakPolarHBondContact O-CG 3.28Å; C199-E203 PolarHBondContact O-N 2.85Å
200V85.6Confident87.8Confident20 Ų2031.6 Ų31.612%0.12115%0.153CC..Hα-helixtrans-54.1-37.6-174.4177.40000112E198 T204 L227 I354E198-V200 HydrophobicContact CG-CG2 4.11Å; E198-V200 WeakPolarHBondContact OE1-CG2 3.33Å; V200-T204 WeakPolarHBondContact O-CB 3.37Å; V200-T204 PolarHBondContact O-N 3.46Å; V200-T204 PolarHBondContact O-OG1 2.92Å; V200-L227 HydrophobicContact CG1-CD1 4.41Å; V200-I354 HydrophobicContact CB-CG1 4.47Å; V200-I354 HydrophobicContact CG1-CD1 4.04Å; V200-I354 HydrophobicContact CG1-CG1 3.83Å
201L90.3Very high87.9Confident6 Ų629.3 Ų29.33%0.03114%0.141CC..Hα-helixtrans-62.8-56.6178.1176.854.5000112C199 E203 T204 L205 L336 I354 E358 I359 V362C199-L201 PolarHBondContact O-N 2.59Å; C199-L201 VanDerWaalsContact O-N 3.12Å; L201-E203 VanDerWaalsContact C-N 3.28Å; L201-E203 PolarHBondContact O-N 2.78Å; L201-T204 PolarHBondContact O-N 2.86Å; L201-T204 VanDerWaalsContact O-N 3.14Å; L201-L205 HydrophobicContact CD1-CD1 4.22Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 2.82Å; L201-L336 HydrophobicContact CD1-CD1 3.66Å; L201-I354 HydrophobicContact CB-CG2 4.27Å; L201-I354 HydrophobicContact CD1-CG2 4.05Å; L201-E358 HydrophobicContact CD2-CB 4Å; L201-I359 HydrophobicContact CD1-CD1 4.5Å; L201-I359 HydrophobicContact CD1-CG1 3.86Å; L201-I359 HydrophobicContact CD2-CG1 3.88Å; L201-V362 HydrophobicContact CD2-CB 4.11Å; L201-V362 HydrophobicContact CD2-CG2 3.78Å; L201-V362 HydrophobicContact CG-CB 4.37Å; L201-V362 HydrophobicContact CG-CG1 4.38Å; L201-V362 HydrophobicContact CG-CG2 4.25Å
202L91.8Very high88Confident19 Ų1927.8 Ų27.810%0.09913%0.134CC..Hα-helixtrans-55.1-46.9176.8174.458.8000110.9C199 T204 L205 L206 V362 L366 L417C199-L202 HydrophobicContact CB-CB 3.94Å; C199-L202 PolarHBondContact O-N 2.81Å; C199-L202 VanDerWaalsContact O-N 3.17Å; C199-L202 WeakPolarHBondContact SG-CB 2.97Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.02Å; L202-L205 PolarHBondContact O-N 3.47Å; L202-L206 HydrophobicContact CD1-CD1 3.96Å; L202-L206 HydrophobicContact CD1-CG 4.05Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 HydrophobicContact CG-CG 4.44Å; L202-L206 WeakPolarHBondContact O-CB 3.19Å; L202-L206 VanDerWaalsContact O-CG 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.13Å; L202-L206 PolarHBondContact O-N 2.92Å; L202-V362 HydrophobicContact CB-CG1 4.03Å; L202-V362 HydrophobicContact CD1-CG1 4.13Å; L202-L366 HydrophobicContact CD1-CD1 3.91Å; L202-L366 HydrophobicContact CD1-CD2 3.57Å; L202-L366 HydrophobicContact CD1-CG 3.85Å; L202-L417 HydrophobicContact CD2-CD2 3.98Å
203E91.1Very high88.1Confident9 Ų925.2 Ų25.24%0.04212%0.123CC..Hα-helixtrans-63.7-35.3179.9-68.3168.1-174.400113.5K51 C199 L201 S207 R223K51-E203 IonicContact NZ-OE1 3.58Å; K51-E203 PolarHBondContact NZ-OE1 2.85Å; K51-E203 IonicContact NZ-OE2 3.89Å; K51-E203 PolarHBondContact NZ-OE2 3.19Å; C199-E203 PolarHBondContact N-OE1 2.91Å; C199-E203 WeakPolarHBondContact O-CB 3.36Å; C199-E203 WeakPolarHBondContact O-CG 3.28Å; C199-E203 PolarHBondContact O-N 2.85Å; L201-E203 VanDerWaalsContact C-N 3.28Å; L201-E203 PolarHBondContact O-N 2.78Å; E203-S207 VanDerWaalsContact O-CB 3.32Å; E203-S207 WeakPolarHBondContact O-CB 3.45Å; E203-S207 PolarHBondContact O-N 3.15Å; E203-S207 PolarHBondContact O-OG 3.28Å; E203-R223 IonicContact OE2-CZ 2.6Å; E203-R223 IonicContact OE2-NE 3.43Å; E203-R223 IonicContact OE2-NH1 3.77Å
204T92.5Very high88.8Confident0 Ų023.1 Ų23.10%011%0.108CC..Hα-helixtrans-70.1-43.4176.8-590000109.9V200 L201 L202 S207 Y208 I224 L227 L336V200-T204 WeakPolarHBondContact O-CB 3.37Å; V200-T204 PolarHBondContact O-N 3.46Å; V200-T204 PolarHBondContact O-OG1 2.92Å; L201-T204 PolarHBondContact O-N 2.86Å; L201-T204 VanDerWaalsContact O-N 3.14Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.02Å; T204-S207 WeakPolarHBondContact O-CB 3.3Å; T204-S207 PolarHBondContact O-N 3.31Å; T204-Y208 HydrophobicContact CG2-CD2 4.26Å; T204-Y208 HydrophobicContact CG2-CE2 3.96Å; T204-Y208 VanDerWaalsContact O-CD2 3.29Å; T204-Y208 WeakPolarHBondContact O-CD2 3.37Å; T204-Y208 PolarHBondContact O-N 2.89Å; T204-I224 HydrophobicContact CG2-CG2 4.18Å; T204-L227 HydrophobicContact CG2-CB 4.02Å; T204-L227 HydrophobicContact CG2-CD1 4.21Å; T204-L336 HydrophobicContact CG2-CD1 4.36Å; T204-L336 HydrophobicContact CG2-CD2 3.74Å
205L94.6Very high89.5Confident0 Ų023.4 Ų23.40%011%0.108CC..Hα-helixtrans-60.2-51.2174.3-67.7174.2000111.1L201 L202 S207 Y208 L209 L336 V362 L366L201-L205 HydrophobicContact CD1-CD1 4.22Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 2.82Å; L202-L205 PolarHBondContact O-N 3.47Å; L205-S207 PolarHBondContact O-N 3.35Å; L205-Y208 WeakPolarHBondContact O-CB 3.36Å; L205-Y208 PolarHBondContact O-N 2.8Å; L205-Y208 VanDerWaalsContact O-N 3.08Å; L205-L209 WeakPolarHBondContact O-CD1 3.36Å; L205-L209 PolarHBondContact O-N 3.03Å; L205-L209 VanDerWaalsContact O-N 3.09Å; L205-L336 HydrophobicContact CD2-CD1 3.61Å; L205-L336 HydrophobicContact CG-CD1 4.11Å; L205-V362 HydrophobicContact CD1-CG1 3.84Å; L205-L366 HydrophobicContact CB-CD1 4.23Å; L205-L366 HydrophobicContact CD1-CD1 4.04Å
206L95Very high90.2Very high2 Ų219.8 Ų19.81%0.0110%0.095CC..Hα-helixtrans-59.8-28.4175.8-66.6175.5000112.7L202 G210 L366 L409 L410 E413L202-L206 HydrophobicContact CD1-CD1 3.96Å; L202-L206 HydrophobicContact CD1-CG 4.05Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 HydrophobicContact CG-CG 4.44Å; L202-L206 WeakPolarHBondContact O-CB 3.19Å; L202-L206 VanDerWaalsContact O-CG 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.13Å; L202-L206 PolarHBondContact O-N 2.92Å; L206-G210 PolarHBondContact O-N 3.24Å; L206-L366 HydrophobicContact CD2-CD2 4.16Å; L206-L409 HydrophobicContact CD2-CD2 3.93Å; L206-L409 HydrophobicContact CD2-CG 4.2Å; L206-L410 HydrophobicContact CB-CD2 3.96Å; L206-L410 HydrophobicContact CD2-CD2 4.18Å; L206-L410 WeakPolarHBondContact O-CD2 3.48Å; L206-E413 HydrophobicContact CD1-CB 3.71Å; L206-E413 HydrophobicContact CD1-CG 4.28Å; L206-E413 HydrophobicContact CD2-CB 4.37Å; L206-E413 HydrophobicContact CD2-CG 4.19Å
207S95.4Very high90.7Very high1 Ų118.1 Ų18.11%0.0079%0.088CC..Hα-helixtrans-73.4-37.1175.8-60.80000112.6E203 T204 L205 L211 R223 I224E203-S207 VanDerWaalsContact O-CB 3.32Å; E203-S207 WeakPolarHBondContact O-CB 3.45Å; E203-S207 PolarHBondContact O-N 3.15Å; E203-S207 PolarHBondContact O-OG 3.28Å; T204-S207 WeakPolarHBondContact O-CB 3.3Å; T204-S207 PolarHBondContact O-N 3.31Å; L205-S207 PolarHBondContact O-N 3.35Å; S207-L211 WeakPolarHBondContact O-CB 3.33Å; S207-L211 WeakPolarHBondContact O-CD1 3.41Å; S207-L211 WeakPolarHBondContact O-CG 3.31Å; S207-L211 PolarHBondContact O-N 3.44Å; S207-R223 WeakPolarHBondContact OG-CD 3.47Å; S207-I224 VanDerWaalsContact CB-CG2 3.47Å
208Y96Very high91.2Very high3 Ų312.2 Ų12.21%0.0126%0.064CC..Hα-helixtrans-60.8-50170.2-84.3-72.3000111.6T204 L205 G210 L211 A212 I224 L227 P228 R230 I335 L336T204-Y208 HydrophobicContact CG2-CD2 4.26Å; T204-Y208 HydrophobicContact CG2-CE2 3.96Å; T204-Y208 VanDerWaalsContact O-CD2 3.29Å; T204-Y208 WeakPolarHBondContact O-CD2 3.37Å; T204-Y208 PolarHBondContact O-N 2.89Å; L205-Y208 WeakPolarHBondContact O-CB 3.36Å; L205-Y208 PolarHBondContact O-N 2.8Å; L205-Y208 VanDerWaalsContact O-N 3.08Å; Y208-G210 PolarHBondContact O-N 3.31Å; Y208-L211 PolarHBondContact O-N 2.79Å; Y208-A212 PolarHBondContact O-N 3.14Å; Y208-I224 HydrophobicContact CD1-CD1 3.77Å; Y208-I224 HydrophobicContact CD1-CG2 4.49Å; Y208-I224 HydrophobicContact CD2-CG2 3.84Å; Y208-I224 HydrophobicContact CE1-CB 4.31Å; Y208-I224 HydrophobicContact CE1-CD1 3.54Å; Y208-I224 HydrophobicContact CE1-CG2 4.48Å; Y208-I224 HydrophobicContact CE2-CB 4.1Å; Y208-I224 HydrophobicContact CE2-CG2 3.82Å; Y208-I224 HydrophobicContact CG-CD1 4.46Å; Y208-I224 HydrophobicContact CG-CG2 4.17Å; Y208-L227 PolarHBondContact OH-O 2.94Å; Y208-P228 WeakPolarHBondContact OH-CD 3.11Å; Y208-R230 PolarHBondContact OH-NH2 2.95Å; Y208-I335 HydrophobicContact CE1-CG2 4.08Å; Y208-I335 HydrophobicContact CE2-CG2 4.43Å; Y208-I335 WeakPolarHBondContact OH-CG2 3.46Å; Y208-L336 HydrophobicContact CE2-CD2 4.04Å; Y208-L336 HydrophobicContact CE2-CG 4.39Å
209L94.9Very high91.9Very high0 Ų08.1 Ų8.10%05%0.045CC..Hα-helixtrans-60.3-47178.8-84.171.5000111L205 L211 A212 V213 V325 I329 I406 L409L205-L209 WeakPolarHBondContact O-CD1 3.36Å; L205-L209 PolarHBondContact O-N 3.03Å; L205-L209 VanDerWaalsContact O-N 3.09Å; L209-L211 PolarHBondContact O-N 3.27Å; L209-A212 WeakPolarHBondContact O-CB 3.46Å; L209-A212 PolarHBondContact O-N 3.28Å; L209-V213 PolarHBondContact O-N 3.45Å; L209-V325 HydrophobicContact CD2-CG1 4.45Å; L209-I329 HydrophobicContact CD1-CG1 4.32Å; L209-I329 HydrophobicContact CD2-CG1 3.87Å; L209-I406 HydrophobicContact CB-CD1 4.34Å; L209-I406 HydrophobicContact CB-CG2 4.07Å; L209-I406 HydrophobicContact CD2-CG1 4.29Å; L209-I406 HydrophobicContact CG-CD1 4.37Å; L209-L409 HydrophobicContact CD2-CD2 3.85Å
210G93.8Very high92.2Very high0 Ų07.1 Ų7.10%04%0.038CC..Hα-helixtrans-65.9-35.6-179.400000114L206 Y208 V213 N214L206-G210 PolarHBondContact O-N 3.24Å; Y208-G210 PolarHBondContact O-N 3.31Å; G210-V213 PolarHBondContact O-N 3.33Å; G210-N214 PolarHBondContact O-N 3.2Å
211L93.7Very high92.7Very high0 Ų06.2 Ų6.20%03%0.032CC..Hα-helixtrans-71.6-30.9174.2-80.3164.5000113.4S207 Y208 L209 V213 N214 I215 D217 R220 F221 I224S207-L211 WeakPolarHBondContact O-CB 3.33Å; S207-L211 WeakPolarHBondContact O-CD1 3.41Å; S207-L211 WeakPolarHBondContact O-CG 3.31Å; S207-L211 PolarHBondContact O-N 3.44Å; Y208-L211 PolarHBondContact O-N 2.79Å; L209-L211 PolarHBondContact O-N 3.27Å; L211-V213 PolarHBondContact O-N 2.82Å; L211-N214 CarbonylContact O-C 3.19Å; L211-N214 PolarHBondContact O-N 2.85Å; L211-I215 WeakPolarHBondContact O-CG2 3.13Å; L211-I215 PolarHBondContact O-N 2.69Å; L211-D217 HydrophobicContact CD2-CB 4.38Å; L211-D217 WeakPolarHBondContact CD2-O 3.37Å; L211-R220 HydrophobicContact CD1-CB 4.14Å; L211-R220 HydrophobicContact CD2-CB 4.27Å; L211-R220 HydrophobicContact CG-CB 3.79Å; L211-F221 HydrophobicContact CD1-CB 4.3Å; L211-F221 HydrophobicContact CD2-CB 4.02Å; L211-I224 HydrophobicContact CD1-CD1 3.31Å; L211-I224 HydrophobicContact CD1-CG1 3.56Å
212A90.5Very high92.8Very high2 Ų26.3 Ų6.32%0.0173%0.032CC..Hα-helixtrans-64.4-27.9174.800000111.5Y208 L209 C294 L298Y208-A212 PolarHBondContact O-N 3.14Å; L209-A212 WeakPolarHBondContact O-CB 3.46Å; L209-A212 PolarHBondContact O-N 3.28Å; A212-C294 HydrophobicContact CB-CB 3.76Å; A212-L298 HydrophobicContact CB-CD1 3.62Å
213V87.9Confident92.7Very high5 Ų56.3 Ų6.33%0.033%0.031CC..Hα-helixtrans-86.8-44.7172.8-179.90000112T46 L209 G210 L211 F403 I406 R407T46-V213 HydrophobicContact CG2-CB 4.21Å; T46-V213 HydrophobicContact CG2-CG1 3.91Å; L209-V213 PolarHBondContact O-N 3.45Å; G210-V213 PolarHBondContact O-N 3.33Å; L211-V213 PolarHBondContact O-N 2.82Å; V213-F403 HydrophobicContact CG1-CB 4.14Å; V213-F403 HydrophobicContact CG1-CG 4.39Å; V213-F403 HydrophobicContact CG2-CB 4.12Å; V213-F403 HydrophobicContact CG2-CD1 3.86Å; V213-F403 HydrophobicContact CG2-CG 4.12Å; V213-I406 HydrophobicContact CG2-CB 3.96Å; V213-I406 HydrophobicContact CG2-CD1 4.05Å; V213-I406 HydrophobicContact CG2-CG2 3.68Å; V213-R407 HydrophobicContact CG1-CG 4.12Å
214N91.6Very high92.9Very high3 Ų35.9 Ų5.92%0.0163%0.029CC..  trans-130.693.8-176.6179.611000111.6T44 T46 N113 N114 G210 L211 K216 D217T44-N214 WeakPolarHBondContact O-CB 3.25Å; T46-N214 HydrophobicContact CG2-CB 3.52Å; T46-N214 PolarHBondContact OG1-ND2 2.73Å; N113-N214 PolarHBondContact O-ND2 3.49Å; N114-N214 PolarHBondContact O-ND2 3.46Å; G210-N214 PolarHBondContact O-N 3.2Å; L211-N214 CarbonylContact O-C 3.19Å; L211-N214 PolarHBondContact O-N 2.85Å; N214-K216 PolarHBondContact O-N 2.71Å; N214-K216 VanDerWaalsContact O-N 3.16Å; N214-K216 WeakPolarHBondContact OD1-CA 3.35Å; N214-K216 WeakPolarHBondContact OD1-CB 3.16Å; N214-K216 PolarHBondContact OD1-N 2.63Å; N214-D217 PolarHBondContact O-N 3.48Å
215I91.6Very high93Very high34 Ų346 Ų617%0.1743%0.029CC..THydrogen-bonded Turntrans-66.8-13.5176.863.9169.7000113.4L211 D217 S250 T252 Q253 I256L211-I215 WeakPolarHBondContact O-CG2 3.13Å; L211-I215 PolarHBondContact O-N 2.69Å; I215-D217 VanDerWaalsContact C-N 3.3Å; I215-S250 PolarHBondContact O-OG 3.12Å; I215-T252 HydrophobicContact CB-CG2 4.11Å; I215-T252 WeakPolarHBondContact O-CB 3.46Å; I215-T252 PolarHBondContact O-OG1 2.61Å; I215-Q253 HydrophobicContact CD1-CG 3.87Å; I215-Q253 HydrophobicContact CG1-CG 4.48Å; I215-I256 HydrophobicContact CD1-CD1 4.42Å; I215-I256 HydrophobicContact CG2-CD1 4.47Å
216K92Very high92.9Very high22 Ų227.8 Ų7.810%0.0964%0.039CC..THydrogen-bonded Turntrans-82.8-9.6-179.9-62.3178.668.3-158.70112.7V112 N113 N114 N214 S218 W516V112-K216 WeakPolarHBondContact O-CE 3.43Å; V112-K216 PolarHBondContact O-NZ 3.17Å; N113-K216 PolarHBondContact OD1-O 3.34Å; N113-K216 VanDerWaalsContact OD1-O 3.05Å; N114-K216 PolarHBondContact OD1-NZ 3.43Å; N214-K216 PolarHBondContact O-N 2.71Å; N214-K216 VanDerWaalsContact O-N 3.16Å; N214-K216 WeakPolarHBondContact OD1-CA 3.35Å; N214-K216 WeakPolarHBondContact OD1-CB 3.16Å; N214-K216 PolarHBondContact OD1-N 2.63Å; K216-S218 PolarHBondContact O-N 3.31Å; K216-W516 HydrophobicContact CD-CH2 4.07Å; K216-W516 HydrophobicContact CD-CZ2 3.67Å; K216-W516 VanDerWaalsContact NZ-CH2 3.29Å
217D92.5Very high92.6Very high2 Ų29.2 Ų9.21%0.0115%0.047CC..  trans-70.796.7176.9-172.8-19000112.4L115 L211 N214 I215 L219 R220 F221L115-D217 HydrophobicContact CD2-CB 4.15Å; L211-D217 HydrophobicContact CD2-CB 4.38Å; L211-D217 WeakPolarHBondContact CD2-O 3.37Å; N214-D217 PolarHBondContact O-N 3.48Å; I215-D217 VanDerWaalsContact C-N 3.3Å; D217-L219 VanDerWaalsContact C-N 3.32Å; D217-L219 PolarHBondContact O-N 3.44Å; D217-L219 WeakPolarHBondContact OD1-CA 3.4Å; D217-L219 WeakPolarHBondContact OD1-CB 2.89Å; D217-L219 PolarHBondContact OD1-N 2.87Å; D217-R220 HydrophobicContact CB-CB 4.29Å; D217-R220 PolarHBondContact OD1-N 3.23Å; D217-R220 WeakPolarHBondContact OD2-CD 3.28Å; D217-R220 WeakPolarHBondContact OD2-CG 3.37Å; D217-R220 IonicContact OD2-CZ 2.74Å; D217-R220 IonicContact OD2-NE 2.81Å; D217-R220 IonicContact OD2-NH1 3.6Å; D217-R220 PolarHBondContact OD2-NH1 3.46Å; D217-F221 WeakPolarHBondContact O-CB 3.39Å; D217-F221 PolarHBondContact O-N 3.5Å; D217-F221 VanDerWaalsContact O-N 3.08Å
218S90.7Very high92.4Very high10 Ų109.2 Ų9.27%0.075%0.047CC..Hα-helixtrans-69.1-24.3178.154.10000114.4Y109 N113 K216 L222Y109-S218 PolarHBondContact OH-OG 2.87Å; N113-S218 PolarHBondContact OD1-OG 3.03Å; K216-S218 PolarHBondContact O-N 3.31Å; S218-L222 WeakPolarHBondContact O-CB 3.07Å; S218-L222 PolarHBondContact O-N 3.24Å
219L91.8Very high92.1Very high5 Ų511.1 Ų11.13%0.0265%0.054CC..Hα-helixtrans-75.3-46.2180-66.1176.2000110.7I48 D52 T55 L59 D217 F221 L222 R223 F467I48-L219 HydrophobicContact CD1-CD1 3.61Å; I48-L219 HydrophobicContact CG1-CD1 4.21Å; D52-L219 HydrophobicContact CB-CD1 4.21Å; T55-L219 HydrophobicContact CG2-CD2 3.94Å; L59-L219 HydrophobicContact CD1-CD2 4.01Å; D217-L219 VanDerWaalsContact C-N 3.32Å; D217-L219 PolarHBondContact O-N 3.44Å; D217-L219 WeakPolarHBondContact OD1-CA 3.4Å; D217-L219 WeakPolarHBondContact OD1-CB 2.89Å; D217-L219 PolarHBondContact OD1-N 2.87Å; L219-F221 VanDerWaalsContact C-N 3.34Å; L219-L222 PolarHBondContact O-N 2.82Å; L219-R223 PolarHBondContact O-N 2.68Å; L219-R223 VanDerWaalsContact O-N 3.09Å; L219-F467 HydrophobicContact CD2-CE2 3.81Å; L219-F467 HydrophobicContact CD2-CZ 4.06Å
220R93.7Very high92Very high7 Ų711.2 Ų11.23%0.0265%0.054CC..Hα-helixtrans-64.1-40.5172.3-74-177.9174.193.72.6111.2Y47 L211 D217 L222 R223 I224Y47-R220 PolarHBondContact O-NH1 2.84Å; Y47-R220 PolarHBondContact O-NH2 2.91Å; L211-R220 HydrophobicContact CD1-CB 4.14Å; L211-R220 HydrophobicContact CD2-CB 4.27Å; L211-R220 HydrophobicContact CG-CB 3.79Å; D217-R220 HydrophobicContact CB-CB 4.29Å; D217-R220 PolarHBondContact OD1-N 3.23Å; D217-R220 WeakPolarHBondContact OD2-CD 3.28Å; D217-R220 WeakPolarHBondContact OD2-CG 3.37Å; D217-R220 IonicContact OD2-CZ 2.74Å; D217-R220 IonicContact OD2-NE 2.81Å; D217-R220 IonicContact OD2-NH1 3.6Å; D217-R220 PolarHBondContact OD2-NH1 3.46Å; R220-L222 VanDerWaalsContact C-N 3.3Å; R220-L222 PolarHBondContact O-N 3.34Å; R220-R223 PolarHBondContact O-N 3.48Å; R220-R223 VanDerWaalsContact O-N 3.12Å; R220-I224 PolarHBondContact O-N 3.16Å; R220-I224 VanDerWaalsContact O-N 3.14Å
221F95Very high91.8Very high1 Ų112.3 Ų12.30%0.0047%0.066CC..Hα-helixtrans-56.3-47.2175.6-179-99.7000111.2L211 D217 L219 R223 I224 F225 F237 L240 V251 T252 A255 L287 I291L211-F221 HydrophobicContact CD1-CB 4.3Å; L211-F221 HydrophobicContact CD2-CB 4.02Å; D217-F221 WeakPolarHBondContact O-CB 3.39Å; D217-F221 PolarHBondContact O-N 3.5Å; D217-F221 VanDerWaalsContact O-N 3.08Å; L219-F221 VanDerWaalsContact C-N 3.34Å; F221-R223 VanDerWaalsContact C-N 3.31Å; F221-R223 PolarHBondContact O-N 3.46Å; F221-I224 PolarHBondContact O-N 3.42Å; F221-F225 HydrophobicContact CD1-CD2 4.27Å; F221-F225 AromaticContact CE1-CD2 3.45Å; F221-F225 HydrophobicContact CE1-CD2 3.45Å; F221-F225 VanDerWaalsContact CE1-CD2 3.45Å; F221-F225 AromaticContact CE1-CE2 3.79Å; F221-F225 HydrophobicContact CE1-CE2 3.79Å; F221-F225 HydrophobicContact CE1-CG 4.45Å; F221-F225 AromaticContact CZ-CD2 3.67Å; F221-F225 HydrophobicContact CZ-CD2 3.67Å; F221-F225 AromaticContact CZ-CE2 3.93Å; F221-F225 HydrophobicContact CZ-CE2 3.93Å; F221-F225 WeakPolarHBondContact O-CA 3.46Å; F221-F225 WeakPolarHBondContact O-CB 3.49Å; F221-F225 PolarHBondContact O-N 3.26Å; F221-F237 HydrophobicContact CD1-CE2 4.07Å; F221-F237 HydrophobicContact CE1-CD2 4.37Å; F221-F237 HydrophobicContact CE1-CE2 4.22Å; F221-L240 HydrophobicContact CE1-CD1 4.24Å; F221-L240 HydrophobicContact CZ-CD1 4.28Å; F221-V251 HydrophobicContact CD1-CB 4.26Å; F221-V251 HydrophobicContact CD1-CG1 3.89Å; F221-V251 HydrophobicContact CE1-CB 4.28Å; F221-V251 HydrophobicContact CE1-CG1 3.49Å; F221-V251 VanDerWaalsContact CE1-CG1 3.49Å; F221-V251 HydrophobicContact CZ-CG1 4.32Å; F221-T252 WeakPolarHBondContact CB-OG1 3.43Å; F221-T252 HydrophobicContact CD2-CG2 3.78Å; F221-T252 VanDerWaalsContact CD2-OG1 3.26Å; F221-T252 WeakPolarHBondContact CD2-OG1 3.36Å; F221-T252 HydrophobicContact CE2-CG2 4.07Å; F221-T252 WeakPolarHBondContact CG-OG1 3.43Å; F221-A255 HydrophobicContact CE2-CB 4.4Å; F221-A255 HydrophobicContact CZ-CB 4.15Å; F221-L287 HydrophobicContact CE2-CD2 3.62Å; F221-L287 HydrophobicContact CE2-CG 4.28Å; F221-L287 HydrophobicContact CZ-CD2 3.63Å; F221-I291 HydrophobicContact CD2-CD1 4.37Å; F221-I291 HydrophobicContact CE2-CD1 4.35Å
222L91.8Very high91.7Very high7 Ų712.5 Ų12.54%0.0377%0.067CC..Hα-helixtrans-61.9-39.2177.9-173.361.1000112.2S218 L219 R220 I224 F225 F237 L463 M466 F467S218-L222 WeakPolarHBondContact O-CB 3.07Å; S218-L222 PolarHBondContact O-N 3.24Å; L219-L222 PolarHBondContact O-N 2.82Å; R220-L222 VanDerWaalsContact C-N 3.3Å; R220-L222 PolarHBondContact O-N 3.34Å; L222-I224 VanDerWaalsContact C-N 3.34Å; L222-I224 PolarHBondContact O-N 3.36Å; L222-F225 WeakPolarHBondContact O-CB 3.34Å; L222-F225 PolarHBondContact O-N 3.48Å; L222-F237 HydrophobicContact CB-CE2 4.45Å; L222-F237 HydrophobicContact CB-CZ 4.46Å; L222-F237 HydrophobicContact CD1-CD1 4.12Å; L222-F237 HydrophobicContact CD1-CD2 3.81Å; L222-F237 HydrophobicContact CD1-CE1 3.98Å; L222-F237 HydrophobicContact CD1-CE2 3.68Å; L222-F237 HydrophobicContact CD1-CG 4.03Å; L222-F237 HydrophobicContact CD1-CZ 3.77Å; L222-F237 HydrophobicContact CD2-CZ 4.46Å; L222-F237 HydrophobicContact CG-CZ 4.47Å; L222-L463 HydrophobicContact CB-CD2 4.19Å; L222-L463 HydrophobicContact CD2-CB 4.03Å; L222-L463 HydrophobicContact CD2-CD2 3.7Å; L222-L463 HydrophobicContact CD2-CG 4.49Å; L222-L463 WeakPolarHBondContact CD2-O 3.3Å; L222-L463 HydrophobicContact CG-CD2 3.64Å; L222-M466 HydrophobicContact CD1-CB 3.96Å; L222-M466 HydrophobicContact CD1-CG 4.37Å; L222-M466 HydrophobicContact CD1-SD 3.47Å; L222-M466 WeakPolarHBondContact CD1-SD 3.2Å; L222-M466 HydrophobicContact CD2-CB 4.13Å; L222-M466 HydrophobicContact CG-SD 4.29Å; L222-F467 HydrophobicContact CD2-CD2 3.58Å; L222-F467 HydrophobicContact CD2-CE2 3.25Å; L222-F467 HydrophobicContact CD2-CZ 3.99Å
223R91.4Very high91.7Very high19 Ų1915.6 Ų15.67%0.0728%0.083CC..Hα-helixtrans-63.3-38.6179.3-165.2170.5-65.3160.21.8112.2D52 E203 S207 L219 R220 F221 L227D52-R223 IonicContact OD1-NH2 2.98Å; D52-R223 PolarHBondContact OD1-NH2 2.87Å; D52-R223 IonicContact OD2-CZ 3.92Å; D52-R223 IonicContact OD2-NH1 3.46Å; D52-R223 IonicContact OD2-NH2 3.74Å; D52-R223 PolarHBondContact OD2-NH2 2.88Å; E203-R223 IonicContact OE2-CZ 2.6Å; E203-R223 IonicContact OE2-NE 3.43Å; E203-R223 IonicContact OE2-NH1 3.77Å; S207-R223 WeakPolarHBondContact OG-CD 3.47Å; L219-R223 PolarHBondContact O-N 2.68Å; L219-R223 VanDerWaalsContact O-N 3.09Å; R220-R223 PolarHBondContact O-N 3.48Å; R220-R223 VanDerWaalsContact O-N 3.12Å; F221-R223 VanDerWaalsContact C-N 3.31Å; F221-R223 PolarHBondContact O-N 3.46Å; R223-L227 VanDerWaalsContact O-CD1 3.31Å; R223-L227 WeakPolarHBondContact O-CD1 3.44Å
224I93.7Very high91.8Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-91.1-8.3178.170.3158.5000114.2T204 S207 Y208 L211 R220 F221 L222 N226 L227 R230 L287 I291T204-I224 HydrophobicContact CG2-CG2 4.18Å; S207-I224 VanDerWaalsContact CB-CG2 3.47Å; Y208-I224 HydrophobicContact CD1-CD1 3.77Å; Y208-I224 HydrophobicContact CD1-CG2 4.49Å; Y208-I224 HydrophobicContact CD2-CG2 3.84Å; Y208-I224 HydrophobicContact CE1-CB 4.31Å; Y208-I224 HydrophobicContact CE1-CD1 3.54Å; Y208-I224 HydrophobicContact CE1-CG2 4.48Å; Y208-I224 HydrophobicContact CE2-CB 4.1Å; Y208-I224 HydrophobicContact CE2-CG2 3.82Å; Y208-I224 HydrophobicContact CG-CD1 4.46Å; Y208-I224 HydrophobicContact CG-CG2 4.17Å; L211-I224 HydrophobicContact CD1-CD1 3.31Å; L211-I224 HydrophobicContact CD1-CG1 3.56Å; R220-I224 PolarHBondContact O-N 3.16Å; R220-I224 VanDerWaalsContact O-N 3.14Å; F221-I224 PolarHBondContact O-N 3.42Å; L222-I224 VanDerWaalsContact C-N 3.34Å; L222-I224 PolarHBondContact O-N 3.36Å; I224-N226 PolarHBondContact O-N 2.94Å; I224-L227 PolarHBondContact O-N 3.46Å; I224-R230 PolarHBondContact O-NH1 3.12Å; I224-L287 HydrophobicContact CD1-CD1 3.9Å; I224-L287 HydrophobicContact CG1-CD1 4.19Å; I224-I291 HydrophobicContact CD1-CD1 4.19Å; I224-I291 HydrophobicContact CD1-CG1 3.94Å
225F94.7Very high91.8Very high2 Ų224.7 Ų24.71%0.00913%0.126CC..THydrogen-bonded Turntrans-48.3-44.2-166.2-175.8-120.7000113.2F221 L222 L232 S236 F237 L240 L284 L287F221-F225 HydrophobicContact CD1-CD2 4.27Å; F221-F225 AromaticContact CE1-CD2 3.45Å; F221-F225 HydrophobicContact CE1-CD2 3.45Å; F221-F225 VanDerWaalsContact CE1-CD2 3.45Å; F221-F225 AromaticContact CE1-CE2 3.79Å; F221-F225 HydrophobicContact CE1-CE2 3.79Å; F221-F225 HydrophobicContact CE1-CG 4.45Å; F221-F225 AromaticContact CZ-CD2 3.67Å; F221-F225 HydrophobicContact CZ-CD2 3.67Å; F221-F225 AromaticContact CZ-CE2 3.93Å; F221-F225 HydrophobicContact CZ-CE2 3.93Å; F221-F225 WeakPolarHBondContact O-CA 3.46Å; F221-F225 WeakPolarHBondContact O-CB 3.49Å; F221-F225 PolarHBondContact O-N 3.26Å; L222-F225 WeakPolarHBondContact O-CB 3.34Å; L222-F225 PolarHBondContact O-N 3.48Å; F225-L232 HydrophobicContact CD1-CB 4.02Å; F225-L232 HydrophobicContact CD2-CD1 4.22Å; F225-L232 HydrophobicContact CE1-CB 3.61Å; F225-L232 HydrophobicContact CE2-CB 4.46Å; F225-L232 HydrophobicContact CE2-CD1 3.93Å; F225-L232 HydrophobicContact CZ-CB 3.86Å; F225-L232 HydrophobicContact CZ-CD1 4.13Å; F225-L232 HydrophobicContact CZ-CD2 4.44Å; F225-L232 HydrophobicContact CZ-CG 4.37Å; F225-L232 VanDerWaalsContact O-CD1 3.29Å; F225-L232 WeakPolarHBondContact O-CD1 3.41Å; F225-S236 VanDerWaalsContact CE1-OG 3.31Å; F225-S236 WeakPolarHBondContact CE1-OG 2.84Å; F225-S236 VanDerWaalsContact CZ-OG 3.24Å; F225-S236 WeakPolarHBondContact CZ-OG 2.95Å; F225-F237 HydrophobicContact CD1-CB 4.37Å; F225-F237 HydrophobicContact CD1-CD2 4.46Å; F225-F237 HydrophobicContact CD2-CD2 4.48Å; F225-F237 HydrophobicContact CE1-CB 3.73Å; F225-F237 HydrophobicContact CE1-CD2 4.35Å; F225-F237 HydrophobicContact CE2-CD2 4.4Å; F225-F237 HydrophobicContact CZ-CB 4.01Å; F225-F237 HydrophobicContact CZ-CD2 4.32Å; F225-L240 HydrophobicContact CE2-CD1 3.48Å; F225-L240 VanDerWaalsContact CE2-CD1 3.48Å; F225-L240 HydrophobicContact CZ-CD1 3.83Å; F225-L284 HydrophobicContact CE2-CD2 4.43Å; F225-L287 HydrophobicContact CD2-CD2 3.74Å; F225-L287 HydrophobicContact CE2-CD2 4.14Å
226N92.5Very high91.8Very high39 Ų3923.1 Ų23.121%0.20912%0.117CC..THydrogen-bonded Turntrans-123.727.5177.1-161.544.7000112.8I224 P228 Y229 R230 G231 L232I224-N226 PolarHBondContact O-N 2.94Å; N226-P228 CarbonylContact C-O 2.99Å; N226-P228 CarbonylContact O-C 3.56Å; N226-Y229 WeakPolarHBondContact ND2-CD2 3.47Å; N226-Y229 WeakPolarHBondContact O-CA 3.36Å; N226-Y229 PolarHBondContact O-N 3.38Å; N226-R230 WeakPolarHBondContact OD1-CA 3.44Å; N226-R230 PolarHBondContact OD1-N 3.19Å; N226-G231 PolarHBondContact OD1-N 3.45Å; N226-L232 HydrophobicContact CB-CB 4.26Å; N226-L232 PolarHBondContact ND2-O 2.82Å; N226-L232 VanDerWaalsContact ND2-O 3.12Å; N226-L232 PolarHBondContact OD1-N 3.43Å; N226-L232 PolarHBondContact OD1-O 2.91Å
227L90.1Very high91.9Very high32 Ų3222.1 Ų22.117%0.16811%0.113CC..SBendtrans-122.8110.1175.3-62.8178.6000110.5V200 T204 Y208 R223 I224 R230 M350 I354V200-L227 HydrophobicContact CG1-CD1 4.41Å; T204-L227 HydrophobicContact CG2-CB 4.02Å; T204-L227 HydrophobicContact CG2-CD1 4.21Å; Y208-L227 PolarHBondContact OH-O 2.94Å; R223-L227 VanDerWaalsContact O-CD1 3.31Å; R223-L227 WeakPolarHBondContact O-CD1 3.44Å; I224-L227 PolarHBondContact O-N 3.46Å; L227-R230 PolarHBondContact O-NH1 3.25Å; L227-M350 HydrophobicContact CB-CE 4.38Å; L227-M350 HydrophobicContact CD2-CE 3.74Å; L227-M350 HydrophobicContact CD2-CG 4.48Å; L227-M350 HydrophobicContact CD2-SD 4.21Å; L227-I354 HydrophobicContact CD1-CD1 4.18Å; L227-I354 HydrophobicContact CD2-CD1 4.19Å
228P90.3Very high91.8Very high1 Ų123.2 Ų23.21%0.00612%0.12CC..SBendcis-67.3171.8-137.1-42.6000112.6Y208 N226 R230 I335 K338 M350Y208-P228 WeakPolarHBondContact OH-CD 3.11Å; N226-P228 CarbonylContact C-O 2.99Å; N226-P228 CarbonylContact O-C 3.56Å; P228-R230 WeakPolarHBondContact O-CG 3.28Å; P228-R230 PolarHBondContact O-N 3.05Å; P228-R230 PolarHBondContact O-NH1 3.25Å; P228-I335 HydrophobicContact CG-CG2 4.47Å; P228-I335 WeakPolarHBondContact CG-O 3.39Å; P228-K338 WeakPolarHBondContact CG-O 3.13Å; P228-M350 VanDerWaalsContact CA-CE 3.46Å; P228-M350 HydrophobicContact CB-CE 3.99Å; P228-M350 HydrophobicContact CB-SD 4.21Å
229Y89.5Confident92Very high42 Ų4223.7 Ų23.717%0.16512%0.123CC..  trans-54128.2179.4-176.5-106.1000111.7N226 G340 V341 D343 M346 M350N226-Y229 WeakPolarHBondContact ND2-CD2 3.47Å; N226-Y229 WeakPolarHBondContact O-CA 3.36Å; N226-Y229 PolarHBondContact O-N 3.38Å; Y229-G340 PolarHBondContact O-N 3.01Å; Y229-V341 HydrophobicContact CD1-CB 4.42Å; Y229-V341 HydrophobicContact CE1-CB 4.29Å; Y229-V341 HydrophobicContact CE1-CG1 4.39Å; Y229-D343 HydrophobicContact CD1-CB 4.32Å; Y229-D343 HydrophobicContact CE1-CB 3.61Å; Y229-D343 PolarHBondContact OH-OD2 3.49Å; Y229-M346 HydrophobicContact CD1-CB 4.11Å; Y229-M346 HydrophobicContact CD2-CB 3.93Å; Y229-M346 HydrophobicContact CE1-CB 3.89Å; Y229-M346 HydrophobicContact CE1-CG 4.3Å; Y229-M346 HydrophobicContact CE2-CB 3.71Å; Y229-M346 HydrophobicContact CE2-CG 3.86Å; Y229-M346 HydrophobicContact CG-CB 4.11Å; Y229-M350 PolarHBondContact N-SD 3.22Å; Y229-M350 VanDerWaalsContact N-SD 3.39Å
230R92.3Very high92.1Very high2 Ų223.5 Ų23.51%0.00812%0.122CC..  trans-131.25.6-177.2-74.3174.2-175.398.5-3112.9Y208 I224 N226 L227 P228 L232 G283 H286 S290 V341Y208-R230 PolarHBondContact OH-NH2 2.95Å; I224-R230 PolarHBondContact O-NH1 3.12Å; N226-R230 WeakPolarHBondContact OD1-CA 3.44Å; N226-R230 PolarHBondContact OD1-N 3.19Å; L227-R230 PolarHBondContact O-NH1 3.25Å; P228-R230 WeakPolarHBondContact O-CG 3.28Å; P228-R230 PolarHBondContact O-N 3.05Å; P228-R230 PolarHBondContact O-NH1 3.25Å; R230-L232 HydrophobicContact CB-CD1 3.99Å; R230-L232 HydrophobicContact CB-CG 3.91Å; R230-L232 PolarHBondContact O-N 2.91Å; R230-G283 WeakPolarHBondContact CD-O 3.38Å; R230-G283 VanDerWaalsContact O-CA 3.23Å; R230-G283 WeakPolarHBondContact O-CA 3.35Å; R230-H286 HydrophobicContact CG-CB 4.36Å; R230-H286 PolarHBondContact NE-ND1 2.74Å; R230-S290 PolarHBondContact NH2-OG 2.85Å; R230-V341 WeakPolarHBondContact O-CG2 3.23Å
231G89.7Confident91.9Very high24 Ų2425.3 Ų25.325%0.24713%0.129CC..SBendtrans66.519.9-171.400000113.9N226N226-G231 PolarHBondContact OD1-N 3.45Å
232L92.8Very high91.8Very high4 Ų429.7 Ų29.72%0.02115%0.148CC..  trans-93.1142177.1-61.6177000110F225 N226 R230 W280 L284 L287F225-L232 HydrophobicContact CD1-CB 4.02Å; F225-L232 HydrophobicContact CD2-CD1 4.22Å; F225-L232 HydrophobicContact CE1-CB 3.61Å; F225-L232 HydrophobicContact CE2-CB 4.46Å; F225-L232 HydrophobicContact CE2-CD1 3.93Å; F225-L232 HydrophobicContact CZ-CB 3.86Å; F225-L232 HydrophobicContact CZ-CD1 4.13Å; F225-L232 HydrophobicContact CZ-CD2 4.44Å; F225-L232 HydrophobicContact CZ-CG 4.37Å; F225-L232 VanDerWaalsContact O-CD1 3.29Å; F225-L232 WeakPolarHBondContact O-CD1 3.41Å; N226-L232 HydrophobicContact CB-CB 4.26Å; N226-L232 PolarHBondContact ND2-O 2.82Å; N226-L232 VanDerWaalsContact ND2-O 3.12Å; N226-L232 PolarHBondContact OD1-N 3.43Å; N226-L232 PolarHBondContact OD1-O 2.91Å; R230-L232 HydrophobicContact CB-CD1 3.99Å; R230-L232 HydrophobicContact CB-CG 3.91Å; R230-L232 PolarHBondContact O-N 2.91Å; L232-W280 HydrophobicContact CD2-CB 3.72Å; L232-W280 HydrophobicContact CD2-CG 4.25Å; L232-L284 HydrophobicContact CD1-CD2 4.12Å; L232-L284 HydrophobicContact CD2-CD2 4.09Å; L232-L284 HydrophobicContact CD2-CG 4.09Å; L232-L287 HydrophobicContact CD1-CB 4.47Å; L232-L287 HydrophobicContact CD1-CD2 4.03Å
233N89.8Confident91.8Very high67 Ų6730.2 Ų30.236%0.35815%0.151SC..  trans-146.8-173.5-171.864.928.4000112Q235 S236 F237N233-Q235 VanDerWaalsContact C-N 3.27Å; N233-Q235 PolarHBondContact O-N 2.95Å; N233-Q235 WeakPolarHBondContact OD1-CB 3.16Å; N233-Q235 PolarHBondContact OD1-N 2.91Å; N233-S236 PolarHBondContact N-OG 3.05Å; N233-S236 PolarHBondContact O-N 2.91Å; N233-S236 PolarHBondContact O-OG 3.01Å; N233-S236 PolarHBondContact OD1-N 3.28Å; N233-S236 VanDerWaalsContact OD1-N 3.14Å; N233-F237 PolarHBondContact O-N 3.41Å
234E89.6Confident91.8Very high87 Ų8729.8 Ų29.841%0.40715%0.151SC..Hα-helixtrans-55.6-38.8179.9-167.1-178.5133.500113.6F237 T238 S469E234-F237 PolarHBondContact O-N 3.13Å; E234-T238 VanDerWaalsContact O-CB 3.31Å; E234-T238 WeakPolarHBondContact O-CB 3.44Å; E234-T238 PolarHBondContact O-N 3.4Å; E234-T238 PolarHBondContact O-OG1 2.81Å; E234-S469 WeakPolarHBondContact CG-OG 3.03Å; E234-S469 WeakPolarHBondContact OE1-CA 3.45Å; E234-S469 WeakPolarHBondContact OE1-CB 3.34Å; E234-S469 PolarHBondContact OE1-OG 2.99Å
235Q92.1Very high91.6Very high112 Ų11237 Ų3752%0.52318%0.178SC..Hα-helixtrans-69.2-39.2179.3-61.3-177.27.500111.7N233 S239 W280N233-Q235 VanDerWaalsContact C-N 3.27Å; N233-Q235 PolarHBondContact O-N 2.95Å; N233-Q235 WeakPolarHBondContact OD1-CB 3.16Å; N233-Q235 PolarHBondContact OD1-N 2.91Å; Q235-S239 WeakPolarHBondContact O-CB 3.43Å; Q235-S239 PolarHBondContact O-N 3.21Å; Q235-S239 PolarHBondContact O-OG 3.01Å; Q235-W280 HydrophobicContact CB-CH2 4.14Å; Q235-W280 HydrophobicContact CB-CZ2 3.8Å
236S92.8Very high91.3Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-68.2-42.5176.966.30000111.1F225 N233 S239 L240 W280F225-S236 VanDerWaalsContact CE1-OG 3.31Å; F225-S236 WeakPolarHBondContact CE1-OG 2.84Å; F225-S236 VanDerWaalsContact CZ-OG 3.24Å; F225-S236 WeakPolarHBondContact CZ-OG 2.95Å; N233-S236 PolarHBondContact N-OG 3.05Å; N233-S236 PolarHBondContact O-N 2.91Å; N233-S236 PolarHBondContact O-OG 3.01Å; N233-S236 PolarHBondContact OD1-N 3.28Å; N233-S236 VanDerWaalsContact OD1-N 3.14Å; S236-S239 PolarHBondContact O-N 2.9Å; S236-L240 PolarHBondContact O-N 3.36Å; S236-W280 VanDerWaalsContact CB-CE2 3.49Å
237F93.2Very high91.1Very high1 Ų145.9 Ų45.90%0.00422%0.221CC..Hα-helixtrans-62.8-43.2175-171-108000112.4F221 L222 F225 N233 E234 S239 L240 R241 V251 M466 F467F221-F237 HydrophobicContact CD1-CE2 4.07Å; F221-F237 HydrophobicContact CE1-CD2 4.37Å; F221-F237 HydrophobicContact CE1-CE2 4.22Å; L222-F237 HydrophobicContact CB-CE2 4.45Å; L222-F237 HydrophobicContact CB-CZ 4.46Å; L222-F237 HydrophobicContact CD1-CD1 4.12Å; L222-F237 HydrophobicContact CD1-CD2 3.81Å; L222-F237 HydrophobicContact CD1-CE1 3.98Å; L222-F237 HydrophobicContact CD1-CE2 3.68Å; L222-F237 HydrophobicContact CD1-CG 4.03Å; L222-F237 HydrophobicContact CD1-CZ 3.77Å; L222-F237 HydrophobicContact CD2-CZ 4.46Å; L222-F237 HydrophobicContact CG-CZ 4.47Å; F225-F237 HydrophobicContact CD1-CB 4.37Å; F225-F237 HydrophobicContact CD1-CD2 4.46Å; F225-F237 HydrophobicContact CD2-CD2 4.48Å; F225-F237 HydrophobicContact CE1-CB 3.73Å; F225-F237 HydrophobicContact CE1-CD2 4.35Å; F225-F237 HydrophobicContact CE2-CD2 4.4Å; F225-F237 HydrophobicContact CZ-CB 4.01Å; F225-F237 HydrophobicContact CZ-CD2 4.32Å; N233-F237 PolarHBondContact O-N 3.41Å; E234-F237 PolarHBondContact O-N 3.13Å; F237-S239 VanDerWaalsContact C-N 3.3Å; F237-S239 PolarHBondContact O-N 2.8Å; F237-L240 PolarHBondContact O-N 3.09Å; F237-R241 WeakPolarHBondContact O-CB 3.34Å; F237-R241 PolarHBondContact O-N 3.02Å; F237-V251 HydrophobicContact CD2-CG1 4.24Å; F237-V251 HydrophobicContact CE2-CG1 3.85Å; F237-M466 HydrophobicContact CD1-CB 4.41Å; F237-F467 AromaticContact CE1-CD1 3.94Å; F237-F467 HydrophobicContact CE1-CD1 3.94Å; F237-F467 HydrophobicContact CE1-CE1 4Å; F237-F467 HydrophobicContact CE1-CG 4.39Å; F237-F467 HydrophobicContact CZ-CD1 4.3Å; F237-F467 AromaticContact CZ-CE1 3.87Å; F237-F467 HydrophobicContact CZ-CE1 3.87Å; F237-F467 HydrophobicContact CZ-CZ 4.15Å
238T91.2Very high91Very high26 Ų2651.5 Ų51.516%0.1625%0.252CS..Hα-helixtrans-60.8-40.4176.1-62.40000111.7E234 R241 K242E234-T238 VanDerWaalsContact O-CB 3.31Å; E234-T238 WeakPolarHBondContact O-CB 3.44Å; E234-T238 PolarHBondContact O-N 3.4Å; E234-T238 PolarHBondContact O-OG1 2.81Å; T238-R241 PolarHBondContact O-N 2.66Å; T238-K242 WeakPolarHBondContact O-CG 3.41Å; T238-K242 PolarHBondContact O-N 3.14Å
239S93.4Very high91Very high20 Ų2054.8 Ų54.814%0.1427%0.269CS..Hα-helixtrans-65.4-44.4177.4-56.90000111.4Q235 S236 F237 R241 K242 L243 W280Q235-S239 WeakPolarHBondContact O-CB 3.43Å; Q235-S239 PolarHBondContact O-N 3.21Å; Q235-S239 PolarHBondContact O-OG 3.01Å; S236-S239 PolarHBondContact O-N 2.9Å; F237-S239 VanDerWaalsContact C-N 3.3Å; F237-S239 PolarHBondContact O-N 2.8Å; S239-R241 VanDerWaalsContact C-N 3.33Å; S239-R241 PolarHBondContact O-N 2.86Å; S239-K242 PolarHBondContact O-N 3.39Å; S239-L243 PolarHBondContact O-N 2.96Å; S239-L243 VanDerWaalsContact O-N 3.17Å; S239-W280 WeakPolarHBondContact OG-CH2 3.26Å
240L94.1Very high91Very high0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-59.7-43.2173.4-74.2166.3000111.9F221 F225 S236 F237 K242 L243 A244 V251 V254 A255 L277 L284F221-L240 HydrophobicContact CE1-CD1 4.24Å; F221-L240 HydrophobicContact CZ-CD1 4.28Å; F225-L240 HydrophobicContact CE2-CD1 3.48Å; F225-L240 VanDerWaalsContact CE2-CD1 3.48Å; F225-L240 HydrophobicContact CZ-CD1 3.83Å; S236-L240 PolarHBondContact O-N 3.36Å; F237-L240 PolarHBondContact O-N 3.09Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 2.93Å; L240-L243 PolarHBondContact O-N 3.33Å; L240-A244 VanDerWaalsContact O-CB 3.25Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.24Å; L240-V251 HydrophobicContact CB-CG1 3.58Å; L240-V251 HydrophobicContact CD1-CG1 4.06Å; L240-V251 HydrophobicContact CG-CG1 4.37Å; L240-V254 HydrophobicContact CD2-CB 4.39Å; L240-V254 HydrophobicContact CD2-CG1 3.86Å; L240-A255 HydrophobicContact CD2-CB 4.12Å; L240-L277 HydrophobicContact CD2-CD1 3.52Å; L240-L277 HydrophobicContact CD2-CD2 3.91Å; L240-L277 HydrophobicContact CD2-CG 4.38Å; L240-L277 HydrophobicContact CG-CD1 4.41Å; L240-L277 HydrophobicContact CG-CD2 3.88Å; L240-L284 HydrophobicContact CD1-CD2 4.05Å
241R91Very high91Very high45 Ų4554 Ų5417%0.1727%0.269CS..Hα-helixtrans-64.2-37.5179.5-172-177.6178.3-168.34.5112.7F237 T238 S239 R245 F467F237-R241 WeakPolarHBondContact O-CB 3.34Å; F237-R241 PolarHBondContact O-N 3.02Å; T238-R241 PolarHBondContact O-N 2.66Å; S239-R241 VanDerWaalsContact C-N 3.33Å; S239-R241 PolarHBondContact O-N 2.86Å; R241-R245 VanDerWaalsContact CZ-NH2 3.34Å; R241-R245 WeakPolarHBondContact O-CG 3.32Å; R241-R245 PolarHBondContact O-N 3.42Å; R241-R245 VanDerWaalsContact O-N 3.12Å; R241-F467 PolarHBondContact NH1-O 3.31Å
242K91.3Very high91.2Very high93 Ų9352.9 Ų52.940%0.40426%0.258SS..Hα-helixtrans-63.2-47.9175.6-75.8178.6179.1-178.90110.8T238 S239 L240 R245 Q246T238-K242 WeakPolarHBondContact O-CG 3.41Å; T238-K242 PolarHBondContact O-N 3.14Å; S239-K242 PolarHBondContact O-N 3.39Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 2.93Å; K242-R245 PolarHBondContact O-N 2.94Å; K242-Q246 WeakPolarHBondContact O-CG 3.3Å; K242-Q246 PolarHBondContact O-N 2.71Å; K242-Q246 VanDerWaalsContact O-N 3.09Å
243L92.9Very high91.2Very high19 Ų1954.3 Ų54.310%0.09926%0.264CS..Hα-helixtrans-63-43.8176.2-69169.7000112S239 L240 R245 Q246 D247 V254 P276 L277S239-L243 PolarHBondContact O-N 2.96Å; S239-L243 VanDerWaalsContact O-N 3.17Å; L240-L243 PolarHBondContact O-N 3.33Å; L243-R245 PolarHBondContact O-N 3.11Å; L243-Q246 WeakPolarHBondContact O-CB 3.36Å; L243-Q246 PolarHBondContact O-N 3.31Å; L243-D247 WeakPolarHBondContact O-CB 3.41Å; L243-D247 PolarHBondContact O-N 3.12Å; L243-V254 HydrophobicContact CB-CG1 3.81Å; L243-V254 HydrophobicContact CD1-CG1 4.1Å; L243-P276 HydrophobicContact CD1-CG 4.11Å; L243-P276 HydrophobicContact CD2-CG 4.22Å; L243-P276 HydrophobicContact CG-CG 4.47Å; L243-L277 HydrophobicContact CD1-CD1 3.6Å; L243-L277 HydrophobicContact CD1-CD2 4.09Å; L243-L277 HydrophobicContact CD1-CG 3.63Å
244A91.3Very high91.4Very high9 Ų951.3 Ų51.37%0.07425%0.248CC..Hα-helixtrans-55.6-40.317700000112.4L240 N248 L249 V251 V254L240-A244 VanDerWaalsContact O-CB 3.25Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.24Å; A244-N248 WeakPolarHBondContact O-CA 3.46Å; A244-N248 PolarHBondContact O-N 3.32Å; A244-L249 CarbonylContact C-O 3.59Å; A244-L249 VanDerWaalsContact CB-O 3.28Å; A244-L249 WeakPolarHBondContact CB-O 3.22Å; A244-L249 PolarHBondContact O-N 3.44Å; A244-V251 HydrophobicContact CB-CG2 4.18Å; A244-V254 HydrophobicContact CB-CG2 3.91Å
245R88.9Confident91.7Very high151 Ų15147.1 Ų47.157%0.5723%0.229SC*.Hα-helixtrans-70.5-36.9174.4-73.8171.7168.7171.1-10.9113.3R241 K242 L243R241-R245 VanDerWaalsContact CZ-NH2 3.34Å; R241-R245 WeakPolarHBondContact O-CG 3.32Å; R241-R245 PolarHBondContact O-N 3.42Å; R241-R245 VanDerWaalsContact O-N 3.12Å; K242-R245 PolarHBondContact O-N 2.94Å; L243-R245 PolarHBondContact O-N 3.11Å
246Q89.3Confident91.7Very high146 Ų14644.1 Ų44.168%0.68222%0.215SC*.Hα-helixtrans-68.8-41.1178.6-73.1172.8-37.700111.3K242 L243K242-Q246 WeakPolarHBondContact O-CG 3.3Å; K242-Q246 PolarHBondContact O-N 2.71Å; K242-Q246 VanDerWaalsContact O-N 3.09Å; L243-Q246 WeakPolarHBondContact O-CB 3.36Å; L243-Q246 PolarHBondContact O-N 3.31Å
247D87.6Confident91.6Very high83 Ų8346.4 Ų46.444%0.44423%0.231SC..Hα-helixtrans-90.4-4.3-175.4-60.2-15.6000112.7L243 L249L243-D247 WeakPolarHBondContact O-CB 3.41Å; L243-D247 PolarHBondContact O-N 3.12Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 HydrophobicContact CB-CB 4.39Å; D247-L249 HydrophobicContact CB-CD1 3.97Å; D247-L249 HydrophobicContact CB-CG 4.03Å; D247-L249 PolarHBondContact O-N 2.64Å
248N88.2Confident91.6Very high150 Ų15046.3 Ų46.380%0.80223%0.231SC*.THydrogen-bonded Turntrans5343.5-172-167.438.4000112.9A244A244-N248 WeakPolarHBondContact O-CA 3.46Å; A244-N248 PolarHBondContact O-N 3.32Å
249L89.6Confident91.7Very high70 Ų7045.1 Ų45.137%0.36622%0.224SC..  trans-120.3163.3-179.5-67.9178.3000111.1A244 D247 Q253 V254A244-L249 CarbonylContact C-O 3.59Å; A244-L249 VanDerWaalsContact CB-O 3.28Å; A244-L249 WeakPolarHBondContact CB-O 3.22Å; A244-L249 PolarHBondContact O-N 3.44Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 HydrophobicContact CB-CB 4.39Å; D247-L249 HydrophobicContact CB-CD1 3.97Å; D247-L249 HydrophobicContact CB-CG 4.03Å; D247-L249 PolarHBondContact O-N 2.64Å; L249-Q253 HydrophobicContact CB-CB 4.13Å; L249-V254 HydrophobicContact CB-CG2 3.97Å; L249-V254 HydrophobicContact CD1-CG2 4.46Å
250S90Very high91.5Very high15 Ų1545.8 Ų45.811%0.10523%0.233CC..  trans-70.6155.4167.389.10000111.2I215 T252 Q253 V254I215-S250 PolarHBondContact O-OG 3.12Å; S250-T252 PolarHBondContact O-N 2.98Å; S250-Q253 WeakPolarHBondContact O-CB 3.37Å; S250-Q253 PolarHBondContact O-N 3.3Å; S250-Q253 VanDerWaalsContact O-N 3.08Å; S250-Q253 WeakPolarHBondContact OG-CG 3.5Å; S250-Q253 PolarHBondContact OG-N 3.48Å; S250-Q253 VanDerWaalsContact OG-N 3.1Å; S250-Q253 PolarHBondContact OG-OE1 2.92Å; S250-V254 PolarHBondContact O-N 2.88Å
251V91.7Very high91.2Very high13 Ų1349.5 Ų49.58%0.07925%0.248CC..Hα-helixtrans-57.6-39.2177.9-173.60000111.3F221 F237 L240 A244 V254 A255F221-V251 HydrophobicContact CD1-CB 4.26Å; F221-V251 HydrophobicContact CD1-CG1 3.89Å; F221-V251 HydrophobicContact CE1-CB 4.28Å; F221-V251 HydrophobicContact CE1-CG1 3.49Å; F221-V251 VanDerWaalsContact CE1-CG1 3.49Å; F221-V251 HydrophobicContact CZ-CG1 4.32Å; F237-V251 HydrophobicContact CD2-CG1 4.24Å; F237-V251 HydrophobicContact CE2-CG1 3.85Å; L240-V251 HydrophobicContact CB-CG1 3.58Å; L240-V251 HydrophobicContact CD1-CG1 4.06Å; L240-V251 HydrophobicContact CG-CG1 4.37Å; A244-V251 HydrophobicContact CB-CG2 4.18Å; V251-V254 PolarHBondContact O-N 3.36Å; V251-A255 PolarHBondContact O-N 3.24Å; V251-A255 VanDerWaalsContact O-N 3.09Å
252T93.6Very high91.1Very high0 Ų049.6 Ų49.60%025%0.25CS..Hα-helixtrans-64.5-44.4175.3-42.50000111.5I215 F221 S250 V254 A255 I256 I291I215-T252 HydrophobicContact CB-CG2 4.11Å; I215-T252 WeakPolarHBondContact O-CB 3.46Å; I215-T252 PolarHBondContact O-OG1 2.61Å; F221-T252 WeakPolarHBondContact CB-OG1 3.43Å; F221-T252 HydrophobicContact CD2-CG2 3.78Å; F221-T252 VanDerWaalsContact CD2-OG1 3.26Å; F221-T252 WeakPolarHBondContact CD2-OG1 3.36Å; F221-T252 HydrophobicContact CE2-CG2 4.07Å; F221-T252 WeakPolarHBondContact CG-OG1 3.43Å; S250-T252 PolarHBondContact O-N 2.98Å; T252-V254 VanDerWaalsContact C-N 3.32Å; T252-V254 PolarHBondContact O-N 2.91Å; T252-A255 WeakPolarHBondContact O-CB 3.43Å; T252-A255 PolarHBondContact O-N 3.17Å; T252-A255 VanDerWaalsContact O-N 3.16Å; T252-I256 HydrophobicContact CG2-CD1 4Å; T252-I256 WeakPolarHBondContact O-CG1 3.44Å; T252-I256 PolarHBondContact O-N 3.29Å; T252-I291 HydrophobicContact CG2-CD1 4.15Å
253Q93.3Very high90.8Very high34 Ų3451 Ų5116%0.15925%0.253CS..Hα-helixtrans-61.8-40.6178.4-75.4172.2-50.800111.5I215 L249 S250 I256 S257I215-Q253 HydrophobicContact CD1-CG 3.87Å; I215-Q253 HydrophobicContact CG1-CG 4.48Å; L249-Q253 HydrophobicContact CB-CB 4.13Å; S250-Q253 WeakPolarHBondContact O-CB 3.37Å; S250-Q253 PolarHBondContact O-N 3.3Å; S250-Q253 VanDerWaalsContact O-N 3.08Å; S250-Q253 WeakPolarHBondContact OG-CG 3.5Å; S250-Q253 PolarHBondContact OG-N 3.48Å; S250-Q253 VanDerWaalsContact OG-N 3.1Å; S250-Q253 PolarHBondContact OG-OE1 2.92Å; Q253-I256 PolarHBondContact O-N 2.86Å; Q253-S257 VanDerWaalsContact O-CB 3.25Å; Q253-S257 WeakPolarHBondContact O-CB 3.48Å; Q253-S257 PolarHBondContact O-N 3.14Å
254V94.3Very high90.1Very high3 Ų354.9 Ų54.92%0.01827%0.273CS..Hα-helixtrans-61.7-44.1173.6174.30000111.4L240 L243 A244 L249 S250 V251 T252 S257 F258 L277L240-V254 HydrophobicContact CD2-CB 4.39Å; L240-V254 HydrophobicContact CD2-CG1 3.86Å; L243-V254 HydrophobicContact CB-CG1 3.81Å; L243-V254 HydrophobicContact CD1-CG1 4.1Å; A244-V254 HydrophobicContact CB-CG2 3.91Å; L249-V254 HydrophobicContact CB-CG2 3.97Å; L249-V254 HydrophobicContact CD1-CG2 4.46Å; S250-V254 PolarHBondContact O-N 2.88Å; V251-V254 PolarHBondContact O-N 3.36Å; T252-V254 VanDerWaalsContact C-N 3.32Å; T252-V254 PolarHBondContact O-N 2.91Å; V254-S257 PolarHBondContact O-N 3.36Å; V254-F258 VanDerWaalsContact O-CB 3.32Å; V254-F258 WeakPolarHBondContact O-CB 3.44Å; V254-F258 PolarHBondContact O-N 3.37Å; V254-L277 HydrophobicContact CG1-CD1 4.26Å
255A95Very high88.9Confident0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-61.5-46177.400000111.7F221 L240 V251 T252 F258 V259 L284 V288F221-A255 HydrophobicContact CE2-CB 4.4Å; F221-A255 HydrophobicContact CZ-CB 4.15Å; L240-A255 HydrophobicContact CD2-CB 4.12Å; V251-A255 PolarHBondContact O-N 3.24Å; V251-A255 VanDerWaalsContact O-N 3.09Å; T252-A255 WeakPolarHBondContact O-CB 3.43Å; T252-A255 PolarHBondContact O-N 3.17Å; T252-A255 VanDerWaalsContact O-N 3.16Å; A255-F258 PolarHBondContact O-N 3.24Å; A255-V259 WeakPolarHBondContact O-CG2 3.32Å; A255-V259 PolarHBondContact O-N 2.99Å; A255-L284 HydrophobicContact CB-CD2 4.49Å; A255-V288 HydrophobicContact CB-CG2 4.24Å
256I93.2Very high87.8Confident48 Ų4855 Ų5525%0.24630%0.298CS..Hα-helixtrans-61.7-47.9176.5-67.4168.3000110.7I215 T252 Q253 F258 V259 G260 V288I215-I256 HydrophobicContact CD1-CD1 4.42Å; I215-I256 HydrophobicContact CG2-CD1 4.47Å; T252-I256 HydrophobicContact CG2-CD1 4Å; T252-I256 WeakPolarHBondContact O-CG1 3.44Å; T252-I256 PolarHBondContact O-N 3.29Å; Q253-I256 PolarHBondContact O-N 2.86Å; I256-F258 PolarHBondContact O-N 3.23Å; I256-V259 PolarHBondContact O-N 3.41Å; I256-G260 PolarHBondContact O-N 3.12Å; I256-V288 HydrophobicContact CG1-CG1 4.2Å; I256-V288 HydrophobicContact CG1-CG2 4.19Å
257S91.2Very high86.6Confident48 Ų4853.9 Ų53.934%0.33631%0.306SS..Hα-helixtrans-59.4-45.3178.4171.80000111.9Q253 V254 G260 R261Q253-S257 VanDerWaalsContact O-CB 3.25Å; Q253-S257 WeakPolarHBondContact O-CB 3.48Å; Q253-S257 PolarHBondContact O-N 3.14Å; V254-S257 PolarHBondContact O-N 3.36Å; S257-G260 PolarHBondContact O-N 3.08Å; S257-R261 WeakPolarHBondContact O-CB 3.36Å; S257-R261 WeakPolarHBondContact O-CG 3.48Å; S257-R261 PolarHBondContact O-N 3.05Å
258F92.8Very high85.8Confident0 Ų054.6 Ų54.60%032%0.317CS..Hα-helixtrans-60.6-48.3177172.6-103.6000112.1V254 A255 I256 R261 M262 P271 H275 L277 L284V254-F258 VanDerWaalsContact O-CB 3.32Å; V254-F258 WeakPolarHBondContact O-CB 3.44Å; V254-F258 PolarHBondContact O-N 3.37Å; A255-F258 PolarHBondContact O-N 3.24Å; I256-F258 PolarHBondContact O-N 3.23Å; F258-R261 PolarHBondContact O-N 2.87Å; F258-M262 HydrophobicContact CE1-CG 4.13Å; F258-M262 HydrophobicContact CE2-CG 4.19Å; F258-M262 HydrophobicContact CE2-SD 4.47Å; F258-M262 HydrophobicContact CZ-CG 3.92Å; F258-M262 HydrophobicContact CZ-SD 4.19Å; F258-M262 WeakPolarHBondContact O-CG 3.28Å; F258-M262 PolarHBondContact O-N 3.38Å; F258-P271 HydrophobicContact CD2-CB 4.09Å; F258-P271 HydrophobicContact CD2-CG 3.72Å; F258-P271 HydrophobicContact CE2-CB 3.83Å; F258-P271 HydrophobicContact CE2-CG 3.72Å; F258-H275 AromaticContact CD2-CE1 3.51Å; F258-H275 AromaticContact CD2-ND1 3.57Å; F258-H275 AromaticContact CE2-CE1 3.86Å; F258-H275 AromaticContact CE2-ND1 3.39Å; F258-H275 WeakPolarHBondContact CE2-ND1 3.44Å; F258-L277 HydrophobicContact CB-CD1 3.99Å; F258-L277 HydrophobicContact CD1-CB 4.19Å; F258-L277 HydrophobicContact CD1-CD1 4.23Å; F258-L277 HydrophobicContact CD2-CB 4.07Å; F258-L277 HydrophobicContact CD2-CD1 4.15Å; F258-L277 HydrophobicContact CE1-CB 4.03Å; F258-L277 HydrophobicContact CE2-CB 3.9Å; F258-L277 HydrophobicContact CG-CB 4.21Å; F258-L277 HydrophobicContact CG-CD1 3.84Å; F258-L277 HydrophobicContact CZ-CB 3.89Å; F258-L284 HydrophobicContact CD1-CD1 3.82Å; F258-L284 HydrophobicContact CE1-CD1 3.87Å
259V92Very high85.2Confident1 Ų154.6 Ų54.61%0.00631%0.307CS..Hα-helixtrans-66.9-38.2178.5171.60000111.7A255 I256 M262 R263 L284 I285 V288A255-V259 WeakPolarHBondContact O-CG2 3.32Å; A255-V259 PolarHBondContact O-N 2.99Å; I256-V259 PolarHBondContact O-N 3.41Å; V259-M262 WeakPolarHBondContact O-CB 3.39Å; V259-M262 PolarHBondContact O-N 2.87Å; V259-R263 WeakPolarHBondContact O-CG 3.48Å; V259-R263 PolarHBondContact O-N 3.35Å; V259-R263 VanDerWaalsContact O-N 3.14Å; V259-L284 HydrophobicContact CG2-CB 4.13Å; V259-I285 HydrophobicContact CG1-CG1 4.08Å; V259-I285 HydrophobicContact CG2-CG1 4.11Å; V259-V288 HydrophobicContact CB-CB 4.14Å; V259-V288 HydrophobicContact CB-CG1 4.12Å; V259-V288 HydrophobicContact CB-CG2 4.04Å; V259-V288 HydrophobicContact CG1-CB 4.11Å; V259-V288 HydrophobicContact CG1-CG1 3.97Å; V259-V288 HydrophobicContact CG2-CB 4.04Å; V259-V288 HydrophobicContact CG2-CG2 3.7Å
260G89.2Confident84.7Confident33 Ų3352.8 Ų52.834%0.3430%0.302SS..Hα-helixtrans-59.3-49.8174.500000111.7I256 S257 M262 R263 L264I256-G260 PolarHBondContact O-N 3.12Å; S257-G260 PolarHBondContact O-N 3.08Å; G260-M262 VanDerWaalsContact C-N 3.35Å; G260-M262 PolarHBondContact O-N 2.88Å; G260-R263 PolarHBondContact O-N 3.49Å; G260-R263 VanDerWaalsContact O-N 3.08Å; G260-L264 PolarHBondContact O-N 2.62Å; G260-L264 VanDerWaalsContact O-N 3.17Å
261R88.8Confident84.3Confident79 Ų7952.3 Ų52.330%0.29830%0.299SS..Hα-helixtrans-60.8-40.5176-76.3-170.4-70.3161.1-3.3112.8S257 F258 R263 L264 Y269 P271S257-R261 WeakPolarHBondContact O-CB 3.36Å; S257-R261 WeakPolarHBondContact O-CG 3.48Å; S257-R261 PolarHBondContact O-N 3.05Å; F258-R261 PolarHBondContact O-N 2.87Å; R261-R263 PolarHBondContact O-N 3.1Å; R261-L264 PolarHBondContact O-N 2.95Å; R261-Y269 VanDerWaalsContact CB-O 3.29Å; R261-Y269 WeakPolarHBondContact CB-O 3.35Å; R261-Y269 WeakPolarHBondContact CD-O 3.35Å; R261-Y269 WeakPolarHBondContact CG-O 3.46Å; R261-P271 HydrophobicContact CB-CG 3.84Å
262M88.1Confident84Confident46 Ų4658.6 Ų58.623%0.22733%0.327CS..Hα-helixtrans-58.2-34.7173.8-79.2-71.4-55.200112.9F258 V259 G260 P271 R278F258-M262 HydrophobicContact CE1-CG 4.13Å; F258-M262 HydrophobicContact CE2-CG 4.19Å; F258-M262 HydrophobicContact CE2-SD 4.47Å; F258-M262 HydrophobicContact CZ-CG 3.92Å; F258-M262 HydrophobicContact CZ-SD 4.19Å; F258-M262 WeakPolarHBondContact O-CG 3.28Å; F258-M262 PolarHBondContact O-N 3.38Å; V259-M262 WeakPolarHBondContact O-CB 3.39Å; V259-M262 PolarHBondContact O-N 2.87Å; G260-M262 VanDerWaalsContact C-N 3.35Å; G260-M262 PolarHBondContact O-N 2.88Å; M262-P271 HydrophobicContact CG-CG 4.06Å; M262-P271 HydrophobicContact SD-CG 4.22Å; M262-R278 VanDerWaalsContact SD-CZ 3.51Å; M262-R278 PolarHBondContact SD-NH1 3.28Å
263R85.2Confident83.5Confident122 Ų12264.1 Ų64.146%0.4637%0.365SS..Hα-helixtrans-82.1-27-177-72.9170.8179.1179.9-1.6114.2V259 G260 R261 G265 D289V259-R263 WeakPolarHBondContact O-CG 3.48Å; V259-R263 PolarHBondContact O-N 3.35Å; V259-R263 VanDerWaalsContact O-N 3.14Å; G260-R263 PolarHBondContact O-N 3.49Å; G260-R263 VanDerWaalsContact O-N 3.08Å; R261-R263 PolarHBondContact O-N 3.1Å; R263-G265 PolarHBondContact O-N 3.03Å; R263-D289 IonicContact CZ-OD1 2.71Å; R263-D289 IonicContact CZ-OD2 3.79Å; R263-D289 IonicContact NH1-OD1 3.82Å; R263-D289 PolarHBondContact NH1-OD1 2.99Å; R263-D289 IonicContact NH2-OD1 2.81Å; R263-D289 PolarHBondContact NH2-OD1 3.09Å; R263-D289 IonicContact NH2-OD2 2.59Å; R263-D289 PolarHBondContact NH2-OD2 3.39Å
264L78.5Confident83.1Confident101 Ų10168.7 Ų68.753%0.52939%0.39SS..Hα-helixtrans-67.3-22.4179.2-70.7172000112.1G260 R261 D266G260-L264 PolarHBondContact O-N 2.62Å; G260-L264 VanDerWaalsContact O-N 3.17Å; R261-L264 PolarHBondContact O-N 2.95Å; L264-D266 PolarHBondContact O-N 2.78Å
265G66.6Low82.9Confident56 Ų5669.8 Ų69.858%0.57740%0.395SS*.  trans70.7-28.8167.400000115.9R263R263-G265 PolarHBondContact O-N 3.03Å
266D64.5Low82.8Confident108 Ų10872.9 Ų72.958%0.57842%0.415SS*.  trans-66.1134.4179.1-69.4-23.5000111.1L264 S268 Y269 A270L264-D266 PolarHBondContact O-N 2.78Å; D266-S268 PolarHBondContact O-N 2.86Å; D266-Y269 PolarHBondContact O-N 3.36Å; D266-Y269 VanDerWaalsContact O-N 3.07Å; D266-A270 WeakPolarHBondContact O-CB 3.25Å; D266-A270 PolarHBondContact O-N 3.17Å
267S64.4Low82.8Confident121 Ų12170.6 Ų70.685%0.84640%0.403SS*.THydrogen-bonded Turntrans-58.5-25.9-170.556.60000114.3
268S72.4Confident82.9Confident98 Ų9872.4 Ų72.469%0.68540%0.403SS*.THydrogen-bonded Turntrans-79-29.2179.256.80000114D266D266-S268 PolarHBondContact O-N 2.86Å
269Y75.3Confident82.8Confident150 Ų15080.1 Ų80.159%0.58843%0.432SS*.THydrogen-bonded Turntrans-101.5-25-179-68-74.8000113R261 D266R261-Y269 VanDerWaalsContact CB-O 3.29Å; R261-Y269 WeakPolarHBondContact CB-O 3.35Å; R261-Y269 WeakPolarHBondContact CD-O 3.35Å; R261-Y269 WeakPolarHBondContact CG-O 3.46Å; D266-Y269 PolarHBondContact O-N 3.36Å; D266-Y269 VanDerWaalsContact O-N 3.07Å
270A79.4Confident82.9Confident32 Ų3281 Ų8126%0.26444%0.435SS..SBendtrans-61.5139.6179.900000110.8D266 E272D266-A270 WeakPolarHBondContact O-CB 3.25Å; D266-A270 PolarHBondContact O-N 3.17Å; A270-E272 PolarHBondContact O-N 3.33Å
271P81.6Confident83.1Confident6 Ų680.9 Ų80.94%0.03943%0.429CS..PPolyproline II helixtrans-62.6139.5174.4-18.132.8000109.9F258 R261 M262 H275 R278F258-P271 HydrophobicContact CD2-CB 4.09Å; F258-P271 HydrophobicContact CD2-CG 3.72Å; F258-P271 HydrophobicContact CE2-CB 3.83Å; F258-P271 HydrophobicContact CE2-CG 3.72Å; R261-P271 HydrophobicContact CB-CG 3.84Å; M262-P271 HydrophobicContact CG-CG 4.06Å; M262-P271 HydrophobicContact SD-CG 4.22Å; P271-H275 HydrophobicContact CB-CB 3.91Å; P271-R278 PolarHBondContact O-NH1 2.83Å
272E84.1Confident83.3Confident145 Ų14580.5 Ų80.568%0.67844%0.438SS*.PPolyproline II helixtrans-51.6153.7176.5-61.7-178.9154.600111.7A270 D274 H275A270-E272 PolarHBondContact O-N 3.33Å; E272-D274 VanDerWaalsContact CB-OD1 3.27Å; E272-D274 WeakPolarHBondContact CB-OD1 3.36Å; E272-D274 PolarHBondContact O-N 3.33Å; E272-H275 WeakPolarHBondContact O-CB 3.45Å; E272-H275 PolarHBondContact O-N 3.12Å
273C83Confident83.6Confident116 Ų11678.3 Ų78.378%0.78443%0.428SS*.THydrogen-bonded Turntrans-61.6-28.4-177.3-70.60000113
274D85.5Confident84.1Confident129 Ų12972.5 Ų72.569%0.6941%0.406SS*.THydrogen-bonded Turntrans-948.617767-27.8000113.3E272E272-D274 VanDerWaalsContact CB-OD1 3.27Å; E272-D274 WeakPolarHBondContact CB-OD1 3.36Å; E272-D274 PolarHBondContact O-N 3.33Å
275H90.5Very high84.9Confident26 Ų2670.3 Ų70.312%0.1239%0.394CS..  trans-52.8133.1178.7-172.8-83.4000110.7F258 P271 E272 L277 R278F258-H275 AromaticContact CD2-CE1 3.51Å; F258-H275 AromaticContact CD2-ND1 3.57Å; F258-H275 AromaticContact CE2-CE1 3.86Å; F258-H275 AromaticContact CE2-ND1 3.39Å; F258-H275 WeakPolarHBondContact CE2-ND1 3.44Å; P271-H275 HydrophobicContact CB-CB 3.91Å; E272-H275 WeakPolarHBondContact O-CB 3.45Å; E272-H275 PolarHBondContact O-N 3.12Å; H275-L277 PolarHBondContact ND1-N 3.37Å; H275-L277 PolarHBondContact O-N 3.24Å; H275-R278 WeakPolarHBondContact O-CB 3.36Å; H275-R278 PolarHBondContact O-N 2.82Å
276P92.3Very high86.2Confident65 Ų6569.6 Ų69.642%0.42238%0.376SS..THydrogen-bonded Turntrans-59.1-23.8-169.520.3-34.5000114.6L243 W280L243-P276 HydrophobicContact CD1-CG 4.11Å; L243-P276 HydrophobicContact CD2-CG 4.22Å; L243-P276 HydrophobicContact CG-CG 4.47Å; P276-W280 WeakPolarHBondContact O-CZ3 3.41Å
277L93.9Very high87.8Confident0 Ų064.4 Ų64.40%035%0.348CS..THydrogen-bonded Turntrans-87.8-9177.7-58.4-179.9000114.9L240 L243 V254 F258 H275 R279 W280 L284L240-L277 HydrophobicContact CD2-CD1 3.52Å; L240-L277 HydrophobicContact CD2-CD2 3.91Å; L240-L277 HydrophobicContact CD2-CG 4.38Å; L240-L277 HydrophobicContact CG-CD1 4.41Å; L240-L277 HydrophobicContact CG-CD2 3.88Å; L243-L277 HydrophobicContact CD1-CD1 3.6Å; L243-L277 HydrophobicContact CD1-CD2 4.09Å; L243-L277 HydrophobicContact CD1-CG 3.63Å; V254-L277 HydrophobicContact CG1-CD1 4.26Å; F258-L277 HydrophobicContact CB-CD1 3.99Å; F258-L277 HydrophobicContact CD1-CB 4.19Å; F258-L277 HydrophobicContact CD1-CD1 4.23Å; F258-L277 HydrophobicContact CD2-CB 4.07Å; F258-L277 HydrophobicContact CD2-CD1 4.15Å; F258-L277 HydrophobicContact CE1-CB 4.03Å; F258-L277 HydrophobicContact CE2-CB 3.9Å; F258-L277 HydrophobicContact CG-CB 4.21Å; F258-L277 HydrophobicContact CG-CD1 3.84Å; F258-L277 HydrophobicContact CZ-CB 3.89Å; H275-L277 PolarHBondContact ND1-N 3.37Å; H275-L277 PolarHBondContact O-N 3.24Å; L277-R279 VanDerWaalsContact C-N 3.31Å; L277-R279 PolarHBondContact O-N 3.39Å; L277-W280 HydrophobicContact CD2-CE3 4.41Å; L277-W280 HydrophobicContact CD2-CZ3 4.43Å; L277-W280 PolarHBondContact O-N 3.1Å; L277-L284 HydrophobicContact CB-CD1 3.97Å; L277-L284 HydrophobicContact CD1-CD1 4.29Å; L277-L284 HydrophobicContact CD2-CD1 4.5Å; L277-L284 HydrophobicContact CG-CD1 4.48Å
278R92.1Very high89.2Confident87 Ų8758.8 Ų58.833%0.32831%0.309SS..G310 helixtrans-57.6-41-168.6-165.772.1-179.8-143.95.4113.3M262 P271 H275 W280 S281M262-R278 VanDerWaalsContact SD-CZ 3.51Å; M262-R278 PolarHBondContact SD-NH1 3.28Å; P271-R278 PolarHBondContact O-NH1 2.83Å; H275-R278 WeakPolarHBondContact O-CB 3.36Å; H275-R278 PolarHBondContact O-N 2.82Å; R278-W280 PolarHBondContact O-N 3.39Å; R278-W280 VanDerWaalsContact O-N 3.13Å; R278-S281 VanDerWaalsContact O-CB 3.25Å; R278-S281 WeakPolarHBondContact O-CB 3.49Å; R278-S281 PolarHBondContact O-N 2.99Å; R278-S281 VanDerWaalsContact O-N 3.1Å; R278-S281 PolarHBondContact O-OG 3.08Å
279R92.4Very high90.3Very high161 Ų16156.4 Ų56.461%0.60829%0.288SS*.G310 helixtrans-62.2-15.5178.560.8173.4158.7158.9-5.2115L277L277-R279 VanDerWaalsContact C-N 3.31Å; L277-R279 PolarHBondContact O-N 3.39Å
280W93.9Very high91.3Very high20 Ų2049.3 Ų49.38%0.07626%0.26CS..G310 helixtrans-115.516.3177.7-56-71.6000113.1L232 Q235 S236 S239 P276 L277 R278 S282 G283 L284L232-W280 HydrophobicContact CD2-CB 3.72Å; L232-W280 HydrophobicContact CD2-CG 4.25Å; Q235-W280 HydrophobicContact CB-CH2 4.14Å; Q235-W280 HydrophobicContact CB-CZ2 3.8Å; S236-W280 VanDerWaalsContact CB-CE2 3.49Å; S239-W280 WeakPolarHBondContact OG-CH2 3.26Å; P276-W280 WeakPolarHBondContact O-CZ3 3.41Å; L277-W280 HydrophobicContact CD2-CE3 4.41Å; L277-W280 HydrophobicContact CD2-CZ3 4.43Å; L277-W280 PolarHBondContact O-N 3.1Å; R278-W280 PolarHBondContact O-N 3.39Å; R278-W280 VanDerWaalsContact O-N 3.13Å; W280-S282 PolarHBondContact O-N 3.46Å; W280-G283 PolarHBondContact O-N 2.88Å; W280-L284 HydrophobicContact CB-CD1 4.37Å; W280-L284 HydrophobicContact CB-CG 4.44Å; W280-L284 WeakPolarHBondContact O-CG 3.41Å; W280-L284 PolarHBondContact O-N 2.83Å
281S92.9Very high91.9Very high31 Ų3148 Ų4822%0.21725%0.249CC..Hα-helixtrans-52.7-46.5-175.347.70000113.5R278 G283 L284 I285R278-S281 VanDerWaalsContact O-CB 3.25Å; R278-S281 WeakPolarHBondContact O-CB 3.49Å; R278-S281 PolarHBondContact O-N 2.99Å; R278-S281 VanDerWaalsContact O-N 3.1Å; R278-S281 PolarHBondContact O-OG 3.08Å; S281-G283 PolarHBondContact O-N 3.02Å; S281-L284 PolarHBondContact O-N 3.45Å; S281-I285 WeakPolarHBondContact O-CB 3.5Å; S281-I285 WeakPolarHBondContact O-CD1 3.48Å; S281-I285 WeakPolarHBondContact O-CG1 2.98Å; S281-I285 PolarHBondContact O-N 2.89Å
282S91.9Very high92.3Very high70 Ų7050 Ų5049%0.4926%0.26SS..Hα-helixtrans-58.6-48.5178.855.20000112.7W280 I285 H286W280-S282 PolarHBondContact O-N 3.46Å; S282-I285 PolarHBondContact O-N 3.27Å; S282-H286 PolarHBondContact O-N 2.85Å
283G94.7Very high92.7Very high1 Ų148.6 Ų48.61%0.0125%0.251CS..Hα-helixtrans-62.9-42.6177.100000112.8R230 W280 S281 H286 L287R230-G283 WeakPolarHBondContact CD-O 3.38Å; R230-G283 VanDerWaalsContact O-CA 3.23Å; R230-G283 WeakPolarHBondContact O-CA 3.35Å; W280-G283 PolarHBondContact O-N 2.88Å; S281-G283 PolarHBondContact O-N 3.02Å; G283-H286 PolarHBondContact O-N 3.33Å; G283-L287 WeakPolarHBondContact O-CB 3.4Å; G283-L287 PolarHBondContact O-N 3.02Å
284L96.1Very high93.1Very high0 Ų043.1 Ų43.10%021%0.214CC..Hα-helixtrans-68-40.1177.9-68.6173.7000112.4F225 L232 L240 A255 F258 V259 L277 W280 S281 H286 L287 V288F225-L284 HydrophobicContact CE2-CD2 4.43Å; L232-L284 HydrophobicContact CD1-CD2 4.12Å; L232-L284 HydrophobicContact CD2-CD2 4.09Å; L232-L284 HydrophobicContact CD2-CG 4.09Å; L240-L284 HydrophobicContact CD1-CD2 4.05Å; A255-L284 HydrophobicContact CB-CD2 4.49Å; F258-L284 HydrophobicContact CD1-CD1 3.82Å; F258-L284 HydrophobicContact CE1-CD1 3.87Å; V259-L284 HydrophobicContact CG2-CB 4.13Å; L277-L284 HydrophobicContact CB-CD1 3.97Å; L277-L284 HydrophobicContact CD1-CD1 4.29Å; L277-L284 HydrophobicContact CD2-CD1 4.5Å; L277-L284 HydrophobicContact CG-CD1 4.48Å; W280-L284 HydrophobicContact CB-CD1 4.37Å; W280-L284 HydrophobicContact CB-CG 4.44Å; W280-L284 WeakPolarHBondContact O-CG 3.41Å; W280-L284 PolarHBondContact O-N 2.83Å; S281-L284 PolarHBondContact O-N 3.45Å; L284-H286 VanDerWaalsContact C-N 3.34Å; L284-H286 PolarHBondContact O-N 3.45Å; L284-L287 PolarHBondContact O-N 3.35Å; L284-V288 WeakPolarHBondContact O-CG2 3.35Å; L284-V288 PolarHBondContact O-N 3.44Å
285I94.7Very high93.2Very high55 Ų5538.4 Ų38.428%0.28219%0.188SC..Hα-helixtrans-57.5-49.9173.7-75164000109.6V259 S281 S282 L287 V288 D289V259-I285 HydrophobicContact CG1-CG1 4.08Å; V259-I285 HydrophobicContact CG2-CG1 4.11Å; S281-I285 WeakPolarHBondContact O-CB 3.5Å; S281-I285 WeakPolarHBondContact O-CD1 3.48Å; S281-I285 WeakPolarHBondContact O-CG1 2.98Å; S281-I285 PolarHBondContact O-N 2.89Å; S282-I285 PolarHBondContact O-N 3.27Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.02Å; I285-V288 PolarHBondContact O-N 3.28Å; I285-D289 WeakPolarHBondContact O-CB 3.48Å; I285-D289 PolarHBondContact O-N 3.47Å
286H95.5Very high92.9Very high40 Ų4040.8 Ų40.819%0.18520%0.201CC..Hα-helixtrans-61.5-40.9178.3-173.1-101.6000112.7R230 S282 G283 L284 S290 K338 G340R230-H286 HydrophobicContact CG-CB 4.36Å; R230-H286 PolarHBondContact NE-ND1 2.74Å; S282-H286 PolarHBondContact O-N 2.85Å; G283-H286 PolarHBondContact O-N 3.33Å; L284-H286 VanDerWaalsContact C-N 3.34Å; L284-H286 PolarHBondContact O-N 3.45Å; H286-S290 WeakPolarHBondContact O-CB 2.99Å; H286-S290 PolarHBondContact O-N 3Å; H286-S290 PolarHBondContact O-OG 3.39Å; H286-K338 PolarHBondContact CE1-O 3.28Å; H286-G340 WeakPolarHBondContact ND1-CA 3.4Å
287L96.3Very high92.5Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-61.4-50.9176.3179.756.8000111.9F221 I224 F225 L232 G283 L284 I285 D289 S290 I291F221-L287 HydrophobicContact CE2-CD2 3.62Å; F221-L287 HydrophobicContact CE2-CG 4.28Å; F221-L287 HydrophobicContact CZ-CD2 3.63Å; I224-L287 HydrophobicContact CD1-CD1 3.9Å; I224-L287 HydrophobicContact CG1-CD1 4.19Å; F225-L287 HydrophobicContact CD2-CD2 3.74Å; F225-L287 HydrophobicContact CE2-CD2 4.14Å; L232-L287 HydrophobicContact CD1-CB 4.47Å; L232-L287 HydrophobicContact CD1-CD2 4.03Å; G283-L287 WeakPolarHBondContact O-CB 3.4Å; G283-L287 PolarHBondContact O-N 3.02Å; L284-L287 PolarHBondContact O-N 3.35Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.02Å; L287-D289 VanDerWaalsContact C-N 3.34Å; L287-D289 PolarHBondContact O-N 2.84Å; L287-S290 VanDerWaalsContact O-CB 3.31Å; L287-S290 WeakPolarHBondContact O-CB 3.34Å; L287-S290 PolarHBondContact O-N 2.87Å; L287-S290 VanDerWaalsContact O-N 3.17Å; L287-I291 HydrophobicContact CD1-CD1 4.21Å; L287-I291 HydrophobicContact CG-CD1 4.25Å; L287-I291 WeakPolarHBondContact O-CG1 3.39Å; L287-I291 PolarHBondContact O-N 3.08Å; L287-I291 VanDerWaalsContact O-N 3.08Å
288V95.2Very high91.9Very high3 Ų338.8 Ų38.82%0.01819%0.188CC..Hα-helixtrans-64.4-40.2-179.2170.10000111A255 I256 V259 L284 I285 S290 I291 N292A255-V288 HydrophobicContact CB-CG2 4.24Å; I256-V288 HydrophobicContact CG1-CG1 4.2Å; I256-V288 HydrophobicContact CG1-CG2 4.19Å; V259-V288 HydrophobicContact CB-CB 4.14Å; V259-V288 HydrophobicContact CB-CG1 4.12Å; V259-V288 HydrophobicContact CB-CG2 4.04Å; V259-V288 HydrophobicContact CG1-CB 4.11Å; V259-V288 HydrophobicContact CG1-CG1 3.97Å; V259-V288 HydrophobicContact CG2-CB 4.04Å; V259-V288 HydrophobicContact CG2-CG2 3.7Å; L284-V288 WeakPolarHBondContact O-CG2 3.35Å; L284-V288 PolarHBondContact O-N 3.44Å; I285-V288 PolarHBondContact O-N 3.28Å; V288-S290 VanDerWaalsContact C-N 3.29Å; V288-S290 PolarHBondContact O-N 2.93Å; V288-I291 PolarHBondContact O-N 3.16Å; V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 VanDerWaalsContact O-CG 3.24Å; V288-N292 PolarHBondContact O-N 2.91Å; V288-N292 PolarHBondContact O-ND2 3.32Å
289D94.8Very high91Very high47 Ų4734.8 Ų34.825%0.25117%0.173SC..Hα-helixtrans-65.1-33.6174.7-74.4-23.9000113.2R263 I285 L287 K293R263-D289 IonicContact CZ-OD1 2.71Å; R263-D289 IonicContact CZ-OD2 3.79Å; R263-D289 IonicContact NH1-OD1 3.82Å; R263-D289 PolarHBondContact NH1-OD1 2.99Å; R263-D289 IonicContact NH2-OD1 2.81Å; R263-D289 PolarHBondContact NH2-OD1 3.09Å; R263-D289 IonicContact NH2-OD2 2.59Å; R263-D289 PolarHBondContact NH2-OD2 3.39Å; I285-D289 WeakPolarHBondContact O-CB 3.48Å; I285-D289 PolarHBondContact O-N 3.47Å; L287-D289 VanDerWaalsContact C-N 3.34Å; L287-D289 PolarHBondContact O-N 2.84Å; D289-K293 WeakPolarHBondContact O-CB 3.31Å; D289-K293 WeakPolarHBondContact O-CD 3.4Å; D289-K293 WeakPolarHBondContact O-CG 3.24Å; D289-K293 PolarHBondContact O-N 3.22Å
290S95.9Very high89.7Confident1 Ų127.9 Ų27.91%0.00715%0.152CC..Hα-helixtrans-63.4-47174.5-58.30000110.8R230 H286 L287 V288 K293 C294 I335R230-S290 PolarHBondContact NH2-OG 2.85Å; H286-S290 WeakPolarHBondContact O-CB 2.99Å; H286-S290 PolarHBondContact O-N 3Å; H286-S290 PolarHBondContact O-OG 3.39Å; L287-S290 VanDerWaalsContact O-CB 3.31Å; L287-S290 WeakPolarHBondContact O-CB 3.34Å; L287-S290 PolarHBondContact O-N 2.87Å; L287-S290 VanDerWaalsContact O-N 3.17Å; V288-S290 VanDerWaalsContact C-N 3.29Å; V288-S290 PolarHBondContact O-N 2.93Å; S290-K293 PolarHBondContact O-N 3.39Å; S290-C294 PolarHBondContact O-N 3.17Å; S290-I335 WeakPolarHBondContact O-CD1 3.4Å; S290-I335 WeakPolarHBondContact OG-CG2 3.5Å
291I93.5Very high87.7Confident4 Ų429.1 Ų29.12%0.02116%0.162CC..Hα-helixtrans-64.8-46.5179.1-64.5166.6000110.6F221 I224 T252 L287 V288 K293 C294 H295F221-I291 HydrophobicContact CD2-CD1 4.37Å; F221-I291 HydrophobicContact CE2-CD1 4.35Å; I224-I291 HydrophobicContact CD1-CD1 4.19Å; I224-I291 HydrophobicContact CD1-CG1 3.94Å; T252-I291 HydrophobicContact CG2-CD1 4.15Å; L287-I291 HydrophobicContact CD1-CD1 4.21Å; L287-I291 HydrophobicContact CG-CD1 4.25Å; L287-I291 WeakPolarHBondContact O-CG1 3.39Å; L287-I291 PolarHBondContact O-N 3.08Å; L287-I291 VanDerWaalsContact O-N 3.08Å; V288-I291 PolarHBondContact O-N 3.16Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 2.93Å; I291-C294 WeakPolarHBondContact O-CB 3.38Å; I291-C294 PolarHBondContact O-N 3.11Å; I291-H295 PolarHBondContact O-N 3.25Å
292N90.2Very high85.6Confident50 Ų5031.5 Ų31.527%0.26718%0.184SC..Hα-helixtrans-61.3-41.6179.6-70.7-13.9000111.7V288 C294 H295 D296V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 VanDerWaalsContact O-CG 3.24Å; V288-N292 PolarHBondContact O-N 2.91Å; V288-N292 PolarHBondContact O-ND2 3.32Å; N292-C294 VanDerWaalsContact C-N 3.3Å; N292-C294 PolarHBondContact O-N 3.37Å; N292-H295 PolarHBondContact O-N 2.92Å; N292-H295 VanDerWaalsContact O-N 3.11Å; N292-D296 WeakPolarHBondContact O-CB 3.4Å; N292-D296 PolarHBondContact O-N 2.96Å
293K91.5Very high83.3Confident115 Ų11532 Ų3250%0.518%0.181SC..Hα-helixtrans-58.1-40.9175.5-76.8169.7-176.1174.90112.8D289 S290 I291 V297 V331D289-K293 WeakPolarHBondContact O-CB 3.31Å; D289-K293 WeakPolarHBondContact O-CD 3.4Å; D289-K293 WeakPolarHBondContact O-CG 3.24Å; D289-K293 PolarHBondContact O-N 3.22Å; S290-K293 PolarHBondContact O-N 3.39Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 2.93Å; K293-V297 WeakPolarHBondContact O-CG2 3.38Å; K293-V297 PolarHBondContact O-N 3.19Å; K293-V331 HydrophobicContact CB-CG1 3.86Å
294C92.2Very high81.2Confident0 Ų036.3 Ų36.30%020%0.204CC..Hα-helixtrans-64.7-46.4174.5-66.40000111A212 S290 I291 N292 D296 L298 S332A212-C294 HydrophobicContact CB-CB 3.76Å; S290-C294 PolarHBondContact O-N 3.17Å; I291-C294 WeakPolarHBondContact O-CB 3.38Å; I291-C294 PolarHBondContact O-N 3.11Å; N292-C294 VanDerWaalsContact C-N 3.3Å; N292-C294 PolarHBondContact O-N 3.37Å; C294-D296 PolarHBondContact O-N 3.46Å; C294-L298 VanDerWaalsContact O-CG 3.31Å; C294-L298 WeakPolarHBondContact O-CG 3.31Å; C294-L298 PolarHBondContact O-N 2.79Å; C294-S332 PolarHBondContact SG-OG 3.42Å
295H87.1Confident78.9Confident31 Ų3140.8 Ų40.814%0.14424%0.235CC..Hα-helixtrans-61.9-42.7178.8179.9-82.5000113I291 N292 V297 L298 S299I291-H295 PolarHBondContact O-N 3.25Å; N292-H295 PolarHBondContact O-N 2.92Å; N292-H295 VanDerWaalsContact O-N 3.11Å; H295-V297 PolarHBondContact O-N 3.42Å; H295-L298 PolarHBondContact O-N 2.89Å; H295-S299 PolarHBondContact CE1-OG 3.16Å; H295-S299 PolarHBondContact ND1-OG 3.37Å; H295-S299 WeakPolarHBondContact O-CB 3.46Å; H295-S299 PolarHBondContact O-N 3.5Å; H295-S299 PolarHBondContact O-OG 3.14Å
296D83Confident76.6Confident75 Ų7540.5 Ų40.540%0.40123%0.234SC..Hα-helixtrans-64.3-42.1-178.1-67-19.4000111.6N292 C294 S299 G300 V301N292-D296 WeakPolarHBondContact O-CB 3.4Å; N292-D296 PolarHBondContact O-N 2.96Å; C294-D296 PolarHBondContact O-N 3.46Å; D296-S299 PolarHBondContact O-N 3.01Å; D296-G300 PolarHBondContact O-N 3.17Å; D296-V301 PolarHBondContact O-N 3.17Å
297V84.3Confident74.3Confident23 Ų2342.9 Ų42.914%0.13925%0.247CC..Hα-helixtrans-63.2-43.8175.7167.70000111.4K293 H295 G300 S324 Q327 C328 V331K293-V297 WeakPolarHBondContact O-CG2 3.38Å; K293-V297 PolarHBondContact O-N 3.19Å; H295-V297 PolarHBondContact O-N 3.42Å; V297-G300 PolarHBondContact O-N 3.39Å; V297-S324 WeakPolarHBondContact CG1-O 3.31Å; V297-Q327 HydrophobicContact CG1-CB 3.58Å; V297-Q327 HydrophobicContact CG1-CG 3.51Å; V297-Q327 HydrophobicContact CG2-CG 4.23Å; V297-C328 HydrophobicContact CG1-CB 4.17Å; V297-V331 HydrophobicContact CG2-CG2 3.95Å
298L82.8Confident72.2Confident0 Ų047 Ų470%028%0.282CS..Hα-helixtrans-70.8-33.4-179.8-66.4172.2000112.7A212 C294 H295 G300 V325 C328 G399 A402 F403 I406A212-L298 HydrophobicContact CB-CD1 3.62Å; C294-L298 VanDerWaalsContact O-CG 3.31Å; C294-L298 WeakPolarHBondContact O-CG 3.31Å; C294-L298 PolarHBondContact O-N 2.79Å; H295-L298 PolarHBondContact O-N 2.89Å; L298-G300 PolarHBondContact O-N 2.91Å; L298-V325 HydrophobicContact CD2-CG2 4.12Å; L298-C328 HydrophobicContact CD1-CB 4.46Å; L298-C328 HydrophobicContact CD2-CB 3.61Å; L298-C328 HydrophobicContact CG-CB 3.89Å; L298-G399 VanDerWaalsContact O-CA 3.29Å; L298-G399 WeakPolarHBondContact O-CA 3.33Å; L298-A402 HydrophobicContact CD2-CB 4.13Å; L298-F403 HydrophobicContact CB-CD1 4.1Å; L298-F403 HydrophobicContact CB-CE1 3.53Å; L298-F403 HydrophobicContact CD1-CD1 4.19Å; L298-F403 HydrophobicContact CD1-CE1 3.95Å; L298-F403 HydrophobicContact CG-CE1 4.38Å; L298-I406 HydrophobicContact CD1-CD1 3.32Å; L298-I406 HydrophobicContact CD2-CD1 3.49Å; L298-I406 VanDerWaalsContact CD2-CD1 3.49Å; L298-I406 HydrophobicContact CG-CD1 4.04Å
299S72.1Confident70.3Confident3 Ų350.5 Ų50.52%0.02131%0.306CS..THydrogen-bonded Turntrans-70.8-9.6178-60.20000112.9H295 D296 V301 T396H295-S299 PolarHBondContact CE1-OG 3.16Å; H295-S299 PolarHBondContact ND1-OG 3.37Å; H295-S299 WeakPolarHBondContact O-CB 3.46Å; H295-S299 PolarHBondContact O-N 3.5Å; H295-S299 PolarHBondContact O-OG 3.14Å; D296-S299 PolarHBondContact O-N 3.01Å; S299-V301 VanDerWaalsContact C-N 3.31Å; S299-T396 WeakPolarHBondContact O-CB 3.49Å; S299-T396 WeakPolarHBondContact O-CG2 3.23Å; S299-T396 PolarHBondContact O-OG1 3.05Å
300G64.3Low68.2Low16 Ų1651.1 Ų51.117%0.16532%0.323CS..THydrogen-bonded Turntrans76.117.2-178.300000113.8D296 V297 L298 A302D296-G300 PolarHBondContact O-N 3.17Å; V297-G300 PolarHBondContact O-N 3.39Å; L298-G300 PolarHBondContact O-N 2.91Å; G300-A302 PolarHBondContact O-N 3.4Å; G300-A302 VanDerWaalsContact O-N 3.16Å
301V53.2Low66Low46 Ų4653.7 Ų53.728%0.27934%0.339SS..THydrogen-bonded Turntrans-66.6-14.1179.7-162.70000111.9D296 S299 D303 Y510D296-V301 PolarHBondContact O-N 3.17Å; S299-V301 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 3.31Å; V301-Y510 HydrophobicContact CB-CE2 4.15Å; V301-Y510 HydrophobicContact CG1-CD2 4.48Å; V301-Y510 HydrophobicContact CG1-CE2 3.78Å; V301-Y510 HydrophobicContact CG2-CD2 4.01Å; V301-Y510 HydrophobicContact CG2-CE1 4.03Å; V301-Y510 HydrophobicContact CG2-CE2 3.38Å
302A47.7Very low63.9Low82 Ų8255.1 Ų55.168%0.67835%0.352SS*.THydrogen-bonded Turntrans-66-16.8-176.600000114.5G300G300-A302 PolarHBondContact O-N 3.4Å; G300-A302 VanDerWaalsContact O-N 3.16Å
303D45.2Very low62Low80 Ų8059.9 Ų59.943%0.42838%0.377SS..  trans-112.481.9179.3-73.7-36.3000113.1V301 S305 L306 R398V301-D303 PolarHBondContact O-N 3.31Å; D303-S305 PolarHBondContact O-N 3.46Å; D303-S305 VanDerWaalsContact O-N 3.12Å; D303-L306 HydrophobicContact CB-CB 3.74Å; D303-L306 PolarHBondContact O-N 2.99Å; D303-R398 IonicContact OD2-NH1 3.73Å
304D49.6Very low60.3Low92 Ų9257.3 Ų57.349%0.49237%0.374SS..Hα-helixtrans-51.9-29.7163.1-80.1-22.6000111.4L306 A308D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 3.4Å; D304-A308 PolarHBondContact O-N 3.26Å
305S48Very low58.9Low94 Ų9460.6 Ų60.666%0.65739%0.391SS*.Hα-helixtrans-61.5-33.9176-167.80000113.2D303 A308 S309D303-S305 PolarHBondContact O-N 3.46Å; D303-S305 VanDerWaalsContact O-N 3.12Å; S305-A308 PolarHBondContact O-N 3.45Å; S305-S309 PolarHBondContact O-N 2.94Å
306L45.9Very low58.1Low49 Ų4959.3 Ų59.326%0.25739%0.385SS..Hα-helixtrans-86.8-23.4-171.6-143.3128.8000112.9D303 D304 A308 S309 T311D303-L306 HydrophobicContact CB-CB 3.74Å; D303-L306 PolarHBondContact O-N 2.99Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 3.4Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-S309 WeakPolarHBondContact CA-OG 3.13Å; L306-S309 PolarHBondContact O-OG 3.48Å; L306-S309 VanDerWaalsContact O-OG 3.1Å; L306-T311 WeakPolarHBondContact CD2-OG1 3.44Å; L306-T311 PolarHBondContact O-OG1 2.87Å
307L48.4Very low57.8Low89 Ų8958.8 Ų58.847%0.46639%0.385SS..Hα-helixtrans-68-35166.6-65.9176.2000110.7
308A51.9Low57.8Low88 Ų8859 Ų5973%0.72739%0.386SS*.Hα-helixtrans-72.5-27.8178.700000113.6D304 S305 L306 G310D304-A308 PolarHBondContact O-N 3.26Å; S305-A308 PolarHBondContact O-N 3.45Å; L306-A308 VanDerWaalsContact C-N 3.31Å; A308-G310 VanDerWaalsContact C-N 3.26Å; A308-G310 PolarHBondContact O-N 3.44Å
309S54.9Low57.9Low75 Ų7562.8 Ų62.852%0.52441%0.406SS..THydrogen-bonded Turntrans-80.17.6-177.252.30000115.4S305 L306 T311S305-S309 PolarHBondContact O-N 2.94Å; L306-S309 WeakPolarHBondContact CA-OG 3.13Å; L306-S309 PolarHBondContact O-OG 3.48Å; L306-S309 VanDerWaalsContact O-OG 3.1Å; S309-T311 PolarHBondContact O-N 3Å; S309-T311 PolarHBondContact OG-OG1 3.27Å
310G50.3Low58.3Low60 Ų6064.3 Ų64.362%0.61941%0.414SS*.THydrogen-bonded Turntrans68.92.7179.700000114.5A308 A312A308-G310 VanDerWaalsContact C-N 3.26Å; A308-G310 PolarHBondContact O-N 3.44Å; G310-A312 PolarHBondContact O-N 2.87Å
311T50Low59.3Low55 Ų5563.6 Ų63.634%0.33741%0.406SS..G310 helixtrans-77.811.8173.941.80000112.8L306 S309 N313 S314L306-T311 WeakPolarHBondContact CD2-OG1 3.44Å; L306-T311 PolarHBondContact O-OG1 2.87Å; S309-T311 PolarHBondContact O-N 3Å; S309-T311 PolarHBondContact OG-OG1 3.27Å; T311-N313 PolarHBondContact O-N 2.94Å; T311-N313 VanDerWaalsContact O-N 3.14Å; T311-S314 WeakPolarHBondContact O-CB 3.29Å; T311-S314 PolarHBondContact O-N 3.03Å
312A49.6Very low61Low35 Ų3561.5 Ų61.529%0.28939%0.394SS..G310 helixtrans-59-23.5176.200000112.9G310 L391G310-A312 PolarHBondContact O-N 2.87Å; A312-L391 HydrophobicContact CB-CD1 3.79Å
313N50.3Low63Low150 Ų15063 Ų6380%0.80239%0.385SS*.G310 helixtrans-91.4-1.3174.3-62.4-14.5000113.4T311 L315T311-N313 PolarHBondContact O-N 2.94Å; T311-N313 VanDerWaalsContact O-N 3.14Å; N313-L315 PolarHBondContact O-N 2.91Å
314S55.6Low65Low61 Ų6160.1 Ų60.143%0.42737%0.372SS..PPolyproline II helixtrans-72124.3177.8-179.50000109.6T311T311-S314 WeakPolarHBondContact O-CB 3.29Å; T311-S314 PolarHBondContact O-N 3.03Å
315L63.3Low67Low69 Ų6955.8 Ų55.836%0.36135%0.348SS..PPolyproline II helixtrans-55.4146.4166-66.1169.5000109.4N313 T317 V397N313-L315 PolarHBondContact O-N 2.91Å; L315-T317 PolarHBondContact O-N 2.97Å; L315-V397 HydrophobicContact CD2-CG1 4.07Å
316M70.2Confident69.3Low3 Ų351.8 Ų51.82%0.01532%0.32CS..PPolyproline II helixtrans-69.8125.6174.1-164.7176.55600109.4D320 A321 R398 A402M316-D320 HydrophobicContact CG-CB 3.39Å; M316-D320 HydrophobicContact SD-CB 4Å; M316-A321 HydrophobicContact CE-CB 3.2Å; M316-A321 VanDerWaalsContact SD-CA 3.58Å; M316-A321 HydrophobicContact SD-CB 4.08Å; M316-A321 PolarHBondContact SD-N 3.23Å; M316-R398 HydrophobicContact CB-CG 3.97Å; M316-R398 WeakPolarHBondContact CE-O 3.46Å; M316-R398 HydrophobicContact CG-CG 3.85Å; M316-R398 HydrophobicContact SD-CG 4.05Å; M316-A402 HydrophobicContact CE-CB 3.98Å; M316-A402 HydrophobicContact SD-CB 4.49Å
317T77.2Confident71.5Confident65 Ų6554.3 Ų54.340%0.39933%0.331SS..PPolyproline II helixtrans-70.1158.6172.468.60000110.4L315 D319 D320 A321L315-T317 PolarHBondContact O-N 2.97Å; T317-D319 PolarHBondContact O-N 3.08Å; T317-D320 PolarHBondContact O-N 3.14Å; T317-D320 WeakPolarHBondContact OG1-CB 3.5Å; T317-D320 PolarHBondContact OG1-N 3.06Å; T317-D320 VanDerWaalsContact OG1-N 3.07Å; T317-A321 PolarHBondContact O-N 2.94Å
318V82.9Confident73.7Confident28 Ų2850 Ų5017%0.1731%0.308CS..Hα-helixtrans-56.5-37.3172.5-179.60000111.2A321 V322 I379 C383V318-A321 WeakPolarHBondContact O-CB 3.46Å; V318-A321 PolarHBondContact O-N 3.45Å; V318-V322 VanDerWaalsContact O-CG2 3.3Å; V318-V322 WeakPolarHBondContact O-CG2 3.42Å; V318-V322 PolarHBondContact O-N 3.09Å; V318-I379 HydrophobicContact CG1-CG2 4.36Å; V318-C383 HydrophobicContact CG2-CB 4.04Å
319D84.7Confident75.8Confident79 Ų7945.9 Ų45.942%0.42227%0.274SS..Hα-helixtrans-66.6-42.8178.6-178.561.9000112.3T317 A321 V322 K323T317-D319 PolarHBondContact O-N 3.08Å; D319-A321 VanDerWaalsContact C-N 3.3Å; D319-A321 PolarHBondContact O-N 3.13Å; D319-V322 PolarHBondContact O-N 2.97Å; D319-K323 WeakPolarHBondContact O-CB 3.46Å; D319-K323 WeakPolarHBondContact O-CG 3.42Å; D319-K323 PolarHBondContact O-N 2.95Å; D319-K323 WeakPolarHBondContact OD2-CE 3.43Å; D319-K323 IonicContact OD2-NZ 3.24Å; D319-K323 PolarHBondContact OD2-NZ 3.1Å
320D81.2Confident77.7Confident35 Ų3546.3 Ų46.319%0.18727%0.267CS..Hα-helixtrans-61.3-41.1172.9-79.1-1000111.1M316 T317 V322 K323 S324 R398M316-D320 HydrophobicContact CG-CB 3.39Å; M316-D320 HydrophobicContact SD-CB 4Å; T317-D320 PolarHBondContact O-N 3.14Å; T317-D320 WeakPolarHBondContact OG1-CB 3.5Å; T317-D320 PolarHBondContact OG1-N 3.06Å; T317-D320 VanDerWaalsContact OG1-N 3.07Å; D320-V322 PolarHBondContact O-N 3.17Å; D320-K323 PolarHBondContact O-N 3.17Å; D320-S324 PolarHBondContact O-N 2.86Å; D320-S324 PolarHBondContact O-OG 2.93Å; D320-R398 IonicContact OD1-NH2 3.86Å; D320-R398 IonicContact OD2-CZ 2.81Å; D320-R398 IonicContact OD2-NE 2.83Å; D320-R398 IonicContact OD2-NH2 2.64Å; D320-R398 PolarHBondContact OD2-NH2 3.47Å
321A84.7Confident79.9Confident0 Ų044.6 Ų44.60%025%0.245CC..Hα-helixtrans-58.4-50175.800000111.5M316 T317 V318 D319 K323 S324 V325 L405M316-A321 HydrophobicContact CE-CB 3.2Å; M316-A321 VanDerWaalsContact SD-CA 3.58Å; M316-A321 HydrophobicContact SD-CB 4.08Å; M316-A321 PolarHBondContact SD-N 3.23Å; T317-A321 PolarHBondContact O-N 2.94Å; V318-A321 WeakPolarHBondContact O-CB 3.46Å; V318-A321 PolarHBondContact O-N 3.45Å; D319-A321 VanDerWaalsContact C-N 3.3Å; D319-A321 PolarHBondContact O-N 3.13Å; A321-K323 PolarHBondContact O-N 3.38Å; A321-S324 PolarHBondContact O-N 3.12Å; A321-V325 WeakPolarHBondContact O-CG2 3.45Å; A321-V325 PolarHBondContact O-N 3.38Å; A321-L405 HydrophobicContact CB-CD2 4.29Å
322V90Very high82Confident2 Ų242 Ų421%0.01223%0.229CC..Hα-helixtrans-58.4-48.2178.3164.80000110.5V318 D319 D320 S324 V325 C326 I370 Y371 S374 L405V318-V322 VanDerWaalsContact O-CG2 3.3Å; V318-V322 WeakPolarHBondContact O-CG2 3.42Å; V318-V322 PolarHBondContact O-N 3.09Å; D319-V322 PolarHBondContact O-N 2.97Å; D320-V322 PolarHBondContact O-N 3.17Å; V322-S324 PolarHBondContact O-N 3.41Å; V322-V325 PolarHBondContact O-N 3.17Å; V322-C326 WeakPolarHBondContact O-CB 3.46Å; V322-C326 PolarHBondContact O-N 2.95Å; V322-C326 PolarHBondContact O-SG 2.91Å; V322-I370 HydrophobicContact CB-CG2 4.24Å; V322-I370 HydrophobicContact CG1-CG2 3.86Å; V322-I370 HydrophobicContact CG2-CG2 4.04Å; V322-Y371 HydrophobicContact CG1-CD1 3.92Å; V322-Y371 HydrophobicContact CG1-CE1 3.51Å; V322-Y371 HydrophobicContact CG1-CE2 4.49Å; V322-S374 WeakPolarHBondContact CG2-OG 3.47Å; V322-L405 HydrophobicContact CG2-CD2 3.99Å
323K88.5Confident84.2Confident113 Ų11340.4 Ų40.449%0.49122%0.216SC..Hα-helixtrans-59.1-47.1178.3-75.5168.4176165.80112.2D319 D320 A321 V325 C326 Q327D319-K323 WeakPolarHBondContact O-CB 3.46Å; D319-K323 WeakPolarHBondContact O-CG 3.42Å; D319-K323 PolarHBondContact O-N 2.95Å; D319-K323 WeakPolarHBondContact OD2-CE 3.43Å; D319-K323 IonicContact OD2-NZ 3.24Å; D319-K323 PolarHBondContact OD2-NZ 3.1Å; D320-K323 PolarHBondContact O-N 3.17Å; A321-K323 PolarHBondContact O-N 3.38Å; K323-V325 PolarHBondContact O-N 3.03Å; K323-C326 PolarHBondContact O-N 3.49Å; K323-Q327 WeakPolarHBondContact O-CB 3.45Å; K323-Q327 PolarHBondContact O-N 3.1Å
324S88.2Confident86.3Confident21 Ų2135.7 Ų35.715%0.14720%0.195CC..Hα-helixtrans-60.8-42.7177.2-78.40000112.3V297 D320 A321 V322 Q327 C328V297-S324 WeakPolarHBondContact CG1-O 3.31Å; D320-S324 PolarHBondContact O-N 2.86Å; D320-S324 PolarHBondContact O-OG 2.93Å; A321-S324 PolarHBondContact O-N 3.12Å; V322-S324 PolarHBondContact O-N 3.41Å; S324-Q327 PolarHBondContact O-N 3.39Å; S324-C328 WeakPolarHBondContact O-CB 3.09Å; S324-C328 PolarHBondContact O-N 3.45Å
325V92Very high88Confident0 Ų033.2 Ų33.20%018%0.177CC..Hα-helixtrans-68.3-44.4178.2178.40000111.4L209 L298 A321 V322 K323 Q327 C328 I329 I370 A402 L405 I406L209-V325 HydrophobicContact CD2-CG1 4.45Å; L298-V325 HydrophobicContact CD2-CG2 4.12Å; A321-V325 WeakPolarHBondContact O-CG2 3.45Å; A321-V325 PolarHBondContact O-N 3.38Å; V322-V325 PolarHBondContact O-N 3.17Å; K323-V325 PolarHBondContact O-N 3.03Å; V325-Q327 VanDerWaalsContact C-N 3.31Å; V325-Q327 PolarHBondContact O-N 3.5Å; V325-C328 WeakPolarHBondContact O-CB 3.36Å; V325-C328 PolarHBondContact O-N 3.41Å; V325-C328 VanDerWaalsContact O-N 3.12Å; V325-I329 HydrophobicContact CG1-CD1 4.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.23Å; V325-I329 PolarHBondContact O-N 2.99Å; V325-I370 HydrophobicContact CB-CD1 4.49Å; V325-I370 HydrophobicContact CG1-CD1 3.62Å; V325-I370 HydrophobicContact CG1-CG1 3.9Å; V325-A402 HydrophobicContact CG2-CB 4.03Å; V325-L405 HydrophobicContact CB-CD2 4.42Å; V325-L405 HydrophobicContact CG2-CB 4.33Å; V325-L405 HydrophobicContact CG2-CD2 4.01Å; V325-L405 HydrophobicContact CG2-CG 4.25Å; V325-I406 HydrophobicContact CG1-CG1 3.96Å; V325-I406 HydrophobicContact CG2-CD1 4.22Å; V325-I406 HydrophobicContact CG2-CG1 3.82Å
326C94.7Very high89.4Confident11 Ų1130 Ų307%0.07416%0.16CC..Hα-helixtrans-57.5-44.3174.1-70.90000111.7V322 K323 C328 I329 H330V322-C326 WeakPolarHBondContact O-CB 3.46Å; V322-C326 PolarHBondContact O-N 2.95Å; V322-C326 PolarHBondContact O-SG 2.91Å; K323-C326 PolarHBondContact O-N 3.49Å; C326-C328 VanDerWaalsContact C-N 3.33Å; C326-C328 PolarHBondContact O-N 2.87Å; C326-I329 WeakPolarHBondContact O-CB 3.44Å; C326-I329 PolarHBondContact O-N 3.26Å; C326-H330 PolarHBondContact O-CD2 3.27Å; C326-H330 VanDerWaalsContact O-CD2 3.25Å; C326-H330 PolarHBondContact O-N 3.29Å
327Q93.1Very high90.2Very high101 Ų10136.1 Ų36.147%0.47218%0.182SC..Hα-helixtrans-65-37.3176.6-172.664.5400111.9V297 K323 S324 V325 I329 H330 V331V297-Q327 HydrophobicContact CG1-CB 3.58Å; V297-Q327 HydrophobicContact CG1-CG 3.51Å; V297-Q327 HydrophobicContact CG2-CG 4.23Å; K323-Q327 WeakPolarHBondContact O-CB 3.45Å; K323-Q327 PolarHBondContact O-N 3.1Å; S324-Q327 PolarHBondContact O-N 3.39Å; V325-Q327 VanDerWaalsContact C-N 3.31Å; V325-Q327 PolarHBondContact O-N 3.5Å; Q327-I329 VanDerWaalsContact C-N 3.33Å; Q327-I329 PolarHBondContact O-N 2.89Å; Q327-H330 PolarHBondContact O-N 3.19Å; Q327-V331 WeakPolarHBondContact O-CG2 3.46Å; Q327-V331 PolarHBondContact O-N 3.28Å
328C94.1Very high90.6Very high0 Ų039.4 Ų39.40%019%0.191CC..Hα-helixtrans-65.2-37174.8-1750000111.9V297 L298 S324 V325 C326 V331 S332V297-C328 HydrophobicContact CG1-CB 4.17Å; L298-C328 HydrophobicContact CD1-CB 4.46Å; L298-C328 HydrophobicContact CD2-CB 3.61Å; L298-C328 HydrophobicContact CG-CB 3.89Å; S324-C328 WeakPolarHBondContact O-CB 3.09Å; S324-C328 PolarHBondContact O-N 3.45Å; V325-C328 WeakPolarHBondContact O-CB 3.36Å; V325-C328 PolarHBondContact O-N 3.41Å; V325-C328 VanDerWaalsContact O-N 3.12Å; C326-C328 VanDerWaalsContact C-N 3.33Å; C326-C328 PolarHBondContact O-N 2.87Å; C328-V331 PolarHBondContact O-N 2.83Å; C328-S332 WeakPolarHBondContact O-CB 3.29Å; C328-S332 PolarHBondContact O-N 3.27Å; C328-S332 PolarHBondContact O-OG 3.06Å
329I96.2Very high90.5Very high0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-60.9-49.7171.9-65.5163.2000109.6L209 V325 C326 Q327 V331 S332 C333 C363 L366 I367 I370L209-I329 HydrophobicContact CD1-CG1 4.32Å; L209-I329 HydrophobicContact CD2-CG1 3.87Å; V325-I329 HydrophobicContact CG1-CD1 4.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.23Å; V325-I329 PolarHBondContact O-N 2.99Å; C326-I329 WeakPolarHBondContact O-CB 3.44Å; C326-I329 PolarHBondContact O-N 3.26Å; Q327-I329 VanDerWaalsContact C-N 3.33Å; Q327-I329 PolarHBondContact O-N 2.89Å; I329-V331 PolarHBondContact O-N 3.17Å; I329-S332 WeakPolarHBondContact O-CB 3.47Å; I329-S332 PolarHBondContact O-N 3.08Å; I329-S332 VanDerWaalsContact O-N 3.15Å; I329-C333 PolarHBondContact O-N 3.11Å; I329-C333 PolarHBondContact O-SG 3.35Å; I329-C333 VanDerWaalsContact O-SG 3.33Å; I329-C363 HydrophobicContact CG2-CB 4.49Å; I329-L366 HydrophobicContact CD1-CB 3.96Å; I329-L366 HydrophobicContact CG2-CB 4.48Å; I329-L366 HydrophobicContact CG2-CD1 4.34Å; I329-I367 HydrophobicContact CD1-CG1 4.3Å; I329-I370 HydrophobicContact CD1-CG1 4.22Å
330H95.8Very high90.1Very high84 Ų8437.5 Ų37.539%0.38919%0.188SC..Hα-helixtrans-60.1-41.5177.6-71.5-52.3000113.2C326 Q327 C333 S334 I367C326-H330 PolarHBondContact O-CD2 3.27Å; C326-H330 VanDerWaalsContact O-CD2 3.25Å; C326-H330 PolarHBondContact O-N 3.29Å; Q327-H330 PolarHBondContact O-N 3.19Å; H330-C333 WeakPolarHBondContact O-CB 3.49Å; H330-C333 PolarHBondContact O-N 3.27Å; H330-S334 WeakPolarHBondContact O-CB 3.47Å; H330-S334 PolarHBondContact O-N 3.13Å; H330-I367 VanDerWaalsContact CE1-CD1 3.47Å; H330-I367 WeakPolarHBondContact CE1-CD1 3.46Å
331V94.7Very high89.9Confident25 Ų2537.4 Ų37.415%0.15219%0.189CC..Hα-helixtrans-61.4-44.4174.5164.40000111K293 V297 Q327 C328 I329 C333 S334 I335K293-V331 HydrophobicContact CB-CG1 3.86Å; V297-V331 HydrophobicContact CG2-CG2 3.95Å; Q327-V331 WeakPolarHBondContact O-CG2 3.46Å; Q327-V331 PolarHBondContact O-N 3.28Å; C328-V331 PolarHBondContact O-N 2.83Å; I329-V331 PolarHBondContact O-N 3.17Å; V331-C333 VanDerWaalsContact C-N 3.35Å; V331-C333 PolarHBondContact O-N 3.26Å; V331-S334 WeakPolarHBondContact O-CB 3.31Å; V331-S334 PolarHBondContact O-N 3.02Å; V331-S334 VanDerWaalsContact O-N 3.16Å; V331-I335 HydrophobicContact CG1-CD1 3.7Å; V331-I335 HydrophobicContact CG1-CG1 4.4Å; V331-I335 WeakPolarHBondContact O-CD1 3.48Å; V331-I335 VanDerWaalsContact O-CG1 3.29Å; V331-I335 WeakPolarHBondContact O-CG1 3.25Å; V331-I335 PolarHBondContact O-N 2.86Å
332S95.5Very high89.1Confident0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-61.7-42.4177.2-54.90000111.6C294 C328 I329 I335 L336C294-S332 PolarHBondContact SG-OG 3.42Å; C328-S332 WeakPolarHBondContact O-CB 3.29Å; C328-S332 PolarHBondContact O-N 3.27Å; C328-S332 PolarHBondContact O-OG 3.06Å; I329-S332 WeakPolarHBondContact O-CB 3.47Å; I329-S332 PolarHBondContact O-N 3.08Å; I329-S332 VanDerWaalsContact O-N 3.15Å; S332-I335 PolarHBondContact O-N 3.34Å; S332-L336 WeakPolarHBondContact O-CG 3.35Å; S332-L336 PolarHBondContact O-N 3.35Å
333C95Very high88.3Confident1 Ų144.5 Ų44.51%0.00723%0.226CC..Hα-helixtrans-62-41.6172.9-690000112.4I329 H330 V331 L336 R337 I359I329-C333 PolarHBondContact O-N 3.11Å; I329-C333 PolarHBondContact O-SG 3.35Å; I329-C333 VanDerWaalsContact O-SG 3.33Å; H330-C333 WeakPolarHBondContact O-CB 3.49Å; H330-C333 PolarHBondContact O-N 3.27Å; V331-C333 VanDerWaalsContact C-N 3.35Å; V331-C333 PolarHBondContact O-N 3.26Å; C333-L336 PolarHBondContact O-N 3.14Å; C333-R337 WeakPolarHBondContact O-CG 3.36Å; C333-R337 PolarHBondContact O-N 2.78Å; C333-I359 HydrophobicContact CB-CG2 3.73Å
334S93.8Very high87.3Confident52 Ų5241.6 Ų41.636%0.36423%0.228SC..Hα-helixtrans-65.6-41177.1-1740000112.2H330 V331 R337 K338H330-S334 WeakPolarHBondContact O-CB 3.47Å; H330-S334 PolarHBondContact O-N 3.13Å; V331-S334 WeakPolarHBondContact O-CB 3.31Å; V331-S334 PolarHBondContact O-N 3.02Å; V331-S334 VanDerWaalsContact O-N 3.16Å; S334-R337 PolarHBondContact O-N 2.84Å; S334-K338 PolarHBondContact O-N 3.12Å
335I93.3Very high86.6Confident9 Ų944 Ų445%0.04625%0.245CC..Hα-helixtrans-58.1-49.1173.4-71.9158.7000109.8Y208 P228 S290 V331 S332 R337 K338Y208-I335 HydrophobicContact CE1-CG2 4.08Å; Y208-I335 HydrophobicContact CE2-CG2 4.43Å; Y208-I335 WeakPolarHBondContact OH-CG2 3.46Å; P228-I335 HydrophobicContact CG-CG2 4.47Å; P228-I335 WeakPolarHBondContact CG-O 3.39Å; S290-I335 WeakPolarHBondContact O-CD1 3.4Å; S290-I335 WeakPolarHBondContact OG-CG2 3.5Å; V331-I335 HydrophobicContact CG1-CD1 3.7Å; V331-I335 HydrophobicContact CG1-CG1 4.4Å; V331-I335 WeakPolarHBondContact O-CD1 3.48Å; V331-I335 VanDerWaalsContact O-CG1 3.29Å; V331-I335 WeakPolarHBondContact O-CG1 3.25Å; V331-I335 PolarHBondContact O-N 2.86Å; S332-I335 PolarHBondContact O-N 3.34Å; I335-R337 PolarHBondContact O-N 2.73Å; I335-K338 PolarHBondContact O-N 2.97Å
336L90.8Very high85.7Confident1 Ų147 Ų471%0.00526%0.26CS..Hα-helixtrans-60-29.1-179.1-73.4178.2000113.9L201 T204 L205 Y208 S332 C333 K338 F356 I359L201-L336 HydrophobicContact CD1-CD1 3.66Å; T204-L336 HydrophobicContact CG2-CD1 4.36Å; T204-L336 HydrophobicContact CG2-CD2 3.74Å; L205-L336 HydrophobicContact CD2-CD1 3.61Å; L205-L336 HydrophobicContact CG-CD1 4.11Å; Y208-L336 HydrophobicContact CE2-CD2 4.04Å; Y208-L336 HydrophobicContact CE2-CG 4.39Å; S332-L336 WeakPolarHBondContact O-CG 3.35Å; S332-L336 PolarHBondContact O-N 3.35Å; C333-L336 PolarHBondContact O-N 3.14Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-F356 VanDerWaalsContact O-CE1 3.3Å; L336-F356 WeakPolarHBondContact O-CE1 3.49Å; L336-I359 HydrophobicContact CB-CD1 4.27Å
337R87.8Confident84.3Confident131 Ų13149.2 Ų49.249%0.49427%0.269SS..Hα-helixtrans-77-16.3177-68.6178.2-179.5126.9-5.9113.7C333 S334 I335 I359C333-R337 WeakPolarHBondContact O-CG 3.36Å; C333-R337 PolarHBondContact O-N 2.78Å; S334-R337 PolarHBondContact O-N 2.84Å; I335-R337 PolarHBondContact O-N 2.73Å; R337-I359 HydrophobicContact CG-CD1 4.09Å; R337-I359 VanDerWaalsContact NH2-CG2 3.27Å
338K85.7Confident83.2Confident134 Ų13449.2 Ų49.258%0.58327%0.269SS*.SBendtrans-116.496.3-173.5-66.4-178-178.6-177.30110.5P228 H286 S334 I335 L336P228-K338 WeakPolarHBondContact CG-O 3.13Å; H286-K338 PolarHBondContact CE1-O 3.28Å; S334-K338 PolarHBondContact O-N 3.12Å; I335-K338 PolarHBondContact O-N 2.97Å; L336-K338 VanDerWaalsContact C-N 3.33Å
339P81Confident82.2Confident41 Ų4155.9 Ų55.927%0.26630%0.298SS..  trans-63.2145.217728.4-33.9000111V341P339-V341 VanDerWaalsContact C-N 3.31Å
340G76.4Confident81.2Confident26 Ų2656.4 Ų56.427%0.26830%0.301SS..SBendtrans-76.8-21.1179.100000113.4Y229 H286Y229-G340 PolarHBondContact O-N 3.01Å; H286-G340 WeakPolarHBondContact ND1-CA 3.4Å
341V75.7Confident80Confident33 Ų3356.8 Ų56.820%0.230%0.301CS..SBendtrans-135.3133.2175.4178.70000108.2Y229 R230 P339 D343Y229-V341 HydrophobicContact CD1-CB 4.42Å; Y229-V341 HydrophobicContact CE1-CB 4.29Å; Y229-V341 HydrophobicContact CE1-CG1 4.39Å; R230-V341 WeakPolarHBondContact O-CG2 3.23Å; P339-V341 VanDerWaalsContact C-N 3.31Å; V341-D343 PolarHBondContact O-N 2.61Å
342I69.3Low78.9Confident98 Ų9861 Ų6150%0.50333%0.327SS..  trans-85.6106.5176.8-55.8175.7000108.2
343D73.9Confident77.8Confident54 Ų5463.4 Ų63.429%0.28934%0.342SS..  trans-134.3104.6167.7177.7-13.5000106.7Y229 V341 S345 M346 H347Y229-D343 HydrophobicContact CD1-CB 4.32Å; Y229-D343 HydrophobicContact CE1-CB 3.61Å; Y229-D343 PolarHBondContact OH-OD2 3.49Å; V341-D343 PolarHBondContact O-N 2.61Å; D343-S345 PolarHBondContact O-N 3.22Å; D343-S345 PolarHBondContact OD1-N 3.43Å; D343-S345 VanDerWaalsContact OD1-N 3.12Å; D343-S345 PolarHBondContact OD1-OG 2.82Å; D343-M346 HydrophobicContact CB-CB 4.17Å; D343-M346 HydrophobicContact CB-CG 4.37Å; D343-M346 PolarHBondContact O-N 3.39Å; D343-M346 VanDerWaalsContact O-N 3.16Å; D343-M346 PolarHBondContact OD1-N 2.89Å; D343-M346 WeakPolarHBondContact OD2-CG 3.13Å; D343-H347 WeakPolarHBondContact O-CB 3.2Å; D343-H347 PolarHBondContact O-N 3.14Å
344G66.2Low77.1Confident52 Ų5263.4 Ų63.454%0.53634%0.342SS..Hα-helixtrans-56.8-36.6-174.600000112.7E348G344-E348 PolarHBondContact O-N 3.16Å
345S74.2Confident76.6Confident72 Ų7264.3 Ų64.350%0.50334%0.343SS..Hα-helixtrans-67.4-40.2-179.774.50000112.3D343 K349D343-S345 PolarHBondContact O-N 3.22Å; D343-S345 PolarHBondContact OD1-N 3.43Å; D343-S345 VanDerWaalsContact OD1-N 3.12Å; D343-S345 PolarHBondContact OD1-OG 2.82Å; S345-K349 PolarHBondContact O-N 3.47Å
346M71.8Confident76.1Confident63 Ų6365.8 Ų65.831%0.3135%0.349SS..Hα-helixtrans-80.8-29.4-179.2-65.6-60.3123.100112.3Y229 D343 E348 K349 M350Y229-M346 HydrophobicContact CD1-CB 4.11Å; Y229-M346 HydrophobicContact CD2-CB 3.93Å; Y229-M346 HydrophobicContact CE1-CB 3.89Å; Y229-M346 HydrophobicContact CE1-CG 4.3Å; Y229-M346 HydrophobicContact CE2-CB 3.71Å; Y229-M346 HydrophobicContact CE2-CG 3.86Å; Y229-M346 HydrophobicContact CG-CB 4.11Å; D343-M346 HydrophobicContact CB-CB 4.17Å; D343-M346 HydrophobicContact CB-CG 4.37Å; D343-M346 PolarHBondContact O-N 3.39Å; D343-M346 VanDerWaalsContact O-N 3.16Å; D343-M346 PolarHBondContact OD1-N 2.89Å; D343-M346 WeakPolarHBondContact OD2-CG 3.13Å; M346-E348 VanDerWaalsContact C-N 3.33Å; M346-K349 PolarHBondContact O-N 3.33Å; M346-K349 HydrophobicContact SD-CD 4.21Å; M346-M350 PolarHBondContact O-N 3.34Å
347H65.6Low75.8Confident56 Ų5669.7 Ų69.726%0.25938%0.376SS..Hα-helixtrans-61.6-42.3172.3-17070.1000111.3D343 M350 K351D343-H347 WeakPolarHBondContact O-CB 3.2Å; D343-H347 PolarHBondContact O-N 3.14Å; H347-M350 WeakPolarHBondContact O-CB 3.31Å; H347-M350 PolarHBondContact O-N 2.96Å; H347-M350 VanDerWaalsContact O-N 3.17Å; H347-K351 WeakPolarHBondContact NE2-CE 3.48Å; H347-K351 PolarHBondContact O-N 3.21Å
348E70.6Confident75.9Confident102 Ų10267.4 Ų67.448%0.47737%0.371SS..Hα-helixtrans-64.3-42.5173.5-69.4-52.4127.900112.2G344 M346 M350 K351 T352G344-E348 PolarHBondContact O-N 3.16Å; M346-E348 VanDerWaalsContact C-N 3.33Å; E348-M350 PolarHBondContact O-N 3.41Å; E348-K351 WeakPolarHBondContact O-CB 3.46Å; E348-K351 PolarHBondContact O-N 3.09Å; E348-K351 VanDerWaalsContact O-N 3.13Å; E348-K351 IonicContact OE1-NZ 3.16Å; E348-K351 PolarHBondContact OE1-NZ 3.37Å; E348-K351 IonicContact OE2-NZ 3.54Å; E348-T352 PolarHBondContact O-N 2.91Å
349K73.8Confident76.2Confident139 Ų13961 Ų6160%0.60434%0.343SS*.Hα-helixtrans-59.6-35173.1-165.8177-175.4175.30112S345 M346 T352 T353S345-K349 PolarHBondContact O-N 3.47Å; M346-K349 PolarHBondContact O-N 3.33Å; M346-K349 HydrophobicContact SD-CD 4.21Å; K349-T352 PolarHBondContact O-N 3.36Å; K349-T352 PolarHBondContact O-OG1 3.06Å; K349-T353 PolarHBondContact O-OG1 2.98Å
350M73.6Confident76.7Confident12 Ų1261.8 Ų61.86%0.05935%0.348CS..Hα-helixtrans-69.8-38.3176.3-169.9170.9167.200112.3L227 P228 Y229 M346 H347 E348 T352 T353 I354 F356L227-M350 HydrophobicContact CB-CE 4.38Å; L227-M350 HydrophobicContact CD2-CE 3.74Å; L227-M350 HydrophobicContact CD2-CG 4.48Å; L227-M350 HydrophobicContact CD2-SD 4.21Å; P228-M350 VanDerWaalsContact CA-CE 3.46Å; P228-M350 HydrophobicContact CB-CE 3.99Å; P228-M350 HydrophobicContact CB-SD 4.21Å; Y229-M350 PolarHBondContact N-SD 3.22Å; Y229-M350 VanDerWaalsContact N-SD 3.39Å; M346-M350 PolarHBondContact O-N 3.34Å; H347-M350 WeakPolarHBondContact O-CB 3.31Å; H347-M350 PolarHBondContact O-N 2.96Å; H347-M350 VanDerWaalsContact O-N 3.17Å; E348-M350 PolarHBondContact O-N 3.41Å; M350-T352 PolarHBondContact O-N 3.49Å; M350-T353 WeakPolarHBondContact O-CA 3.34Å; M350-T353 WeakPolarHBondContact O-CB 3.32Å; M350-T353 PolarHBondContact O-N 3.48Å; M350-I354 HydrophobicContact CE-CD1 3.93Å; M350-I354 PolarHBondContact O-N 3.48Å; M350-F356 HydrophobicContact CE-CE1 3.9Å; M350-F356 HydrophobicContact CE-CZ 3.54Å; M350-F356 HydrophobicContact CG-CE2 4.28Å; M350-F356 HydrophobicContact CG-CZ 3.87Å; M350-F356 HydrophobicContact SD-CZ 3.95Å
351K70.6Confident77.5Confident92 Ų9265.8 Ų65.840%0.436%0.364SS..Hα-helixtrans-59.1-31.4172.5-71.4177.1-179.71670112.8H347 E348 T353 F356H347-K351 WeakPolarHBondContact NE2-CE 3.48Å; H347-K351 PolarHBondContact O-N 3.21Å; E348-K351 WeakPolarHBondContact O-CB 3.46Å; E348-K351 PolarHBondContact O-N 3.09Å; E348-K351 VanDerWaalsContact O-N 3.13Å; E348-K351 IonicContact OE1-NZ 3.16Å; E348-K351 PolarHBondContact OE1-NZ 3.37Å; E348-K351 IonicContact OE2-NZ 3.54Å; K351-T353 PolarHBondContact O-N 3.35Å; K351-F356 HydrophobicContact CG-CD2 3.82Å; K351-F356 HydrophobicContact CG-CE2 3.79Å
352T72.1Confident78.2Confident112 Ų11265.2 Ų65.269%0.68736%0.36SS*.THydrogen-bonded Turntrans-70.9-17.5172.572.30000113.7E348 K349 M350E348-T352 PolarHBondContact O-N 2.91Å; K349-T352 PolarHBondContact O-N 3.36Å; K349-T352 PolarHBondContact O-OG1 3.06Å; M350-T352 PolarHBondContact O-N 3.49Å
353T72.7Confident79.4Confident51 Ų5160.8 Ų60.831%0.31334%0.338SS..THydrogen-bonded Turntrans-101.7-38.5-177.1-57.30000112.6K349 M350 K351K349-T353 PolarHBondContact O-OG1 2.98Å; M350-T353 WeakPolarHBondContact O-CA 3.34Å; M350-T353 WeakPolarHBondContact O-CB 3.32Å; M350-T353 PolarHBondContact O-N 3.48Å; K351-T353 PolarHBondContact O-N 3.35Å
354I80.4Confident80.4Confident2 Ų262.9 Ų62.91%0.0135%0.349CS..SBendtrans-124.7118176.2-65.3178.6000107.5V200 L201 L227 M350 F356V200-I354 HydrophobicContact CB-CG1 4.47Å; V200-I354 HydrophobicContact CG1-CD1 4.04Å; V200-I354 HydrophobicContact CG1-CG1 3.83Å; L201-I354 HydrophobicContact CB-CG2 4.27Å; L201-I354 HydrophobicContact CD1-CG2 4.05Å; L227-I354 HydrophobicContact CD1-CD1 4.18Å; L227-I354 HydrophobicContact CD2-CD1 4.19Å; M350-I354 HydrophobicContact CE-CD1 3.93Å; M350-I354 PolarHBondContact O-N 3.48Å; I354-F356 HydrophobicContact CG2-CD1 4.21Å; I354-F356 HydrophobicContact CG2-CE1 4.26Å; I354-F356 WeakPolarHBondContact O-CD2 3.29Å; I354-F356 PolarHBondContact O-N 3Å; I354-F356 VanDerWaalsContact O-N 3.08Å
355N83Confident81.6Confident71 Ų7162.7 Ų62.738%0.3834%0.339SS..  trans-75.197.3170.3-173.17.2000109.4S357 E358N355-S357 VanDerWaalsContact CG-OG 3.26Å; N355-S357 PolarHBondContact ND2-OG 3.44Å; N355-S357 VanDerWaalsContact ND2-OG 3.1Å; N355-S357 PolarHBondContact O-N 3.28Å; N355-S357 VanDerWaalsContact O-N 3.11Å; N355-S357 PolarHBondContact OD1-N 2.96Å; N355-S357 PolarHBondContact OD1-OG 3.3Å; N355-E358 HydrophobicContact CB-CG 4.2Å; N355-E358 WeakPolarHBondContact CB-OE1 3.3Å; N355-E358 PolarHBondContact ND2-OE1 2.74Å; N355-E358 PolarHBondContact O-N 3.23Å
356F82.5Confident82.6Confident40 Ų4059.3 Ų59.318%0.17532%0.315CS..G310 helixtrans-63.1-17.2-178.7-63.9-78.4000113.4L336 M350 K351 I354 E358 I359L336-F356 VanDerWaalsContact O-CE1 3.3Å; L336-F356 WeakPolarHBondContact O-CE1 3.49Å; M350-F356 HydrophobicContact CE-CE1 3.9Å; M350-F356 HydrophobicContact CE-CZ 3.54Å; M350-F356 HydrophobicContact CG-CE2 4.28Å; M350-F356 HydrophobicContact CG-CZ 3.87Å; M350-F356 HydrophobicContact SD-CZ 3.95Å; K351-F356 HydrophobicContact CG-CD2 3.82Å; K351-F356 HydrophobicContact CG-CE2 3.79Å; I354-F356 HydrophobicContact CG2-CD1 4.21Å; I354-F356 HydrophobicContact CG2-CE1 4.26Å; I354-F356 WeakPolarHBondContact O-CD2 3.29Å; I354-F356 PolarHBondContact O-N 3Å; I354-F356 VanDerWaalsContact O-N 3.08Å; F356-E358 PolarHBondContact O-N 3.01Å; F356-I359 HydrophobicContact CB-CD1 4.26Å; F356-I359 HydrophobicContact CD1-CD1 3.67Å; F356-I359 HydrophobicContact CG-CD1 4.46Å; F356-I359 WeakPolarHBondContact O-CB 3.45Å; F356-I359 WeakPolarHBondContact O-CG1 3.41Å; F356-I359 PolarHBondContact O-N 3.09Å
357S85.7Confident83.7Confident83 Ų8357.5 Ų57.558%0.5831%0.307SS*.G310 helixtrans-68.8-22.4174.676.50000112.8N355 I359 P360N355-S357 VanDerWaalsContact CG-OG 3.26Å; N355-S357 PolarHBondContact ND2-OG 3.44Å; N355-S357 VanDerWaalsContact ND2-OG 3.1Å; N355-S357 PolarHBondContact O-N 3.28Å; N355-S357 VanDerWaalsContact O-N 3.11Å; N355-S357 PolarHBondContact OD1-N 2.96Å; N355-S357 PolarHBondContact OD1-OG 3.3Å; S357-I359 VanDerWaalsContact C-N 3.31Å; S357-P360 VanDerWaalsContact O-CD 3.31Å; S357-P360 WeakPolarHBondContact O-CD 3.43Å
358E89.4Confident85Confident82 Ų8260.5 Ų60.538%0.38332%0.319SS..G310 helixtrans-84-4.9178.3-68.8168.3-152.500112.7L201 N355 F356 D361 V362L201-E358 HydrophobicContact CD2-CB 4Å; N355-E358 HydrophobicContact CB-CG 4.2Å; N355-E358 WeakPolarHBondContact CB-OE1 3.3Å; N355-E358 PolarHBondContact ND2-OE1 2.74Å; N355-E358 PolarHBondContact O-N 3.23Å; F356-E358 PolarHBondContact O-N 3.01Å; E358-D361 PolarHBondContact O-N 3.5Å; E358-V362 WeakPolarHBondContact O-CG2 3.38Å; E358-V362 PolarHBondContact O-N 2.93Å
359I91.6Very high85.9Confident0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-54.8-48.4179.5-70.7-179.9000112.7L201 C333 L336 R337 F356 S357 C363L201-I359 HydrophobicContact CD1-CD1 4.5Å; L201-I359 HydrophobicContact CD1-CG1 3.86Å; L201-I359 HydrophobicContact CD2-CG1 3.88Å; C333-I359 HydrophobicContact CB-CG2 3.73Å; L336-I359 HydrophobicContact CB-CD1 4.27Å; R337-I359 HydrophobicContact CG-CD1 4.09Å; R337-I359 VanDerWaalsContact NH2-CG2 3.27Å; F356-I359 HydrophobicContact CB-CD1 4.26Å; F356-I359 HydrophobicContact CD1-CD1 3.67Å; F356-I359 HydrophobicContact CG-CD1 4.46Å; F356-I359 WeakPolarHBondContact O-CB 3.45Å; F356-I359 WeakPolarHBondContact O-CG1 3.41Å; F356-I359 PolarHBondContact O-N 3.09Å; S357-I359 VanDerWaalsContact C-N 3.31Å; I359-C363 WeakPolarHBondContact O-CB 3.41Å; I359-C363 PolarHBondContact O-N 3.12Å
360P92.6Very high86.8Confident58 Ų5850 Ų5038%0.37727%0.271SS..Hα-helixtrans-57.5-49177.4-2335.5000111.9S357 V362 C363 D364S357-P360 VanDerWaalsContact O-CD 3.31Å; S357-P360 WeakPolarHBondContact O-CD 3.43Å; P360-V362 PolarHBondContact O-N 3.4Å; P360-C363 WeakPolarHBondContact O-CB 3.48Å; P360-C363 PolarHBondContact O-N 2.93Å; P360-C363 VanDerWaalsContact O-N 3.17Å; P360-D364 WeakPolarHBondContact O-CB 3.42Å; P360-D364 VanDerWaalsContact O-CG 3.27Å; P360-D364 PolarHBondContact O-N 3.46Å
361D91.6Very high87.7Confident110 Ų11055.3 Ų55.359%0.58829%0.292SS*.Hα-helixtrans-62.3-44.3-176.8-55.3-31.3000112.5E358 D364 S365E358-D361 PolarHBondContact O-N 3.5Å; D361-D364 PolarHBondContact O-N 2.74Å; D361-S365 VanDerWaalsContact O-CB 3.32Å; D361-S365 WeakPolarHBondContact O-CB 3.47Å; D361-S365 PolarHBondContact O-N 3.45Å
362V91.6Very high88.5Confident20 Ų2054 Ų5412%0.12129%0.287CS..Hα-helixtrans-68.8-37.4177.5178.20000111L201 L202 L205 E358 P360 S365 L366L201-V362 HydrophobicContact CD2-CB 4.11Å; L201-V362 HydrophobicContact CD2-CG2 3.78Å; L201-V362 HydrophobicContact CG-CB 4.37Å; L201-V362 HydrophobicContact CG-CG1 4.38Å; L201-V362 HydrophobicContact CG-CG2 4.25Å; L202-V362 HydrophobicContact CB-CG1 4.03Å; L202-V362 HydrophobicContact CD1-CG1 4.13Å; L205-V362 HydrophobicContact CD1-CG1 3.84Å; E358-V362 WeakPolarHBondContact O-CG2 3.38Å; E358-V362 PolarHBondContact O-N 2.93Å; P360-V362 PolarHBondContact O-N 3.4Å; V362-S365 PolarHBondContact O-N 2.87Å; V362-L366 HydrophobicContact CG1-CD1 4.44Å; V362-L366 WeakPolarHBondContact O-CG 3.34Å; V362-L366 PolarHBondContact O-N 3.4Å
363C94.4Very high89.3Confident6 Ų648.9 Ų48.94%0.04126%0.255CS..Hα-helixtrans-61.9-49.3175.2-175.10000110.9I329 I359 P360 S365 L366 I367I329-C363 HydrophobicContact CG2-CB 4.49Å; I359-C363 WeakPolarHBondContact O-CB 3.41Å; I359-C363 PolarHBondContact O-N 3.12Å; P360-C363 WeakPolarHBondContact O-CB 3.48Å; P360-C363 PolarHBondContact O-N 2.93Å; P360-C363 VanDerWaalsContact O-N 3.17Å; C363-S365 VanDerWaalsContact C-N 3.32Å; C363-S365 PolarHBondContact O-N 2.91Å; C363-L366 PolarHBondContact O-N 3.46Å; C363-I367 VanDerWaalsContact O-CG1 3.3Å; C363-I367 WeakPolarHBondContact O-CG1 3.36Å; C363-I367 PolarHBondContact O-N 3.06Å
364D94.4Very high89.9Confident97 Ų9747.5 Ų47.552%0.51925%0.248SC..Hα-helixtrans-64.8-38.3-179.8-69-14.5000111.3P360 D361 I367 K368P360-D364 WeakPolarHBondContact O-CB 3.42Å; P360-D364 VanDerWaalsContact O-CG 3.27Å; P360-D364 PolarHBondContact O-N 3.46Å; D361-D364 PolarHBondContact O-N 2.74Å; D364-I367 PolarHBondContact O-N 3.34Å; D364-K368 VanDerWaalsContact O-CB 3.29Å; D364-K368 WeakPolarHBondContact O-CB 3.39Å; D364-K368 PolarHBondContact O-N 3.27Å
365S92Very high90Very high48 Ų4851.8 Ų51.834%0.33628%0.278SS..Hα-helixtrans-60.5-47.4173.7-172.40000112.2D361 V362 C363 K368 R369D361-S365 VanDerWaalsContact O-CB 3.32Å; D361-S365 WeakPolarHBondContact O-CB 3.47Å; D361-S365 PolarHBondContact O-N 3.45Å; V362-S365 PolarHBondContact O-N 2.87Å; C363-S365 VanDerWaalsContact C-N 3.32Å; C363-S365 PolarHBondContact O-N 2.91Å; S365-K368 PolarHBondContact O-N 3.25Å; S365-R369 PolarHBondContact O-N 2.83Å
366L94.1Very high89.9Confident1 Ų150.5 Ų50.51%0.00527%0.273CS..Hα-helixtrans-64.5-41.5176.8-77.2176000112.3L202 L205 L206 I329 V362 C363 R369 I370 L409 E413L202-L366 HydrophobicContact CD1-CD1 3.91Å; L202-L366 HydrophobicContact CD1-CD2 3.57Å; L202-L366 HydrophobicContact CD1-CG 3.85Å; L205-L366 HydrophobicContact CB-CD1 4.23Å; L205-L366 HydrophobicContact CD1-CD1 4.04Å; L206-L366 HydrophobicContact CD2-CD2 4.16Å; I329-L366 HydrophobicContact CD1-CB 3.96Å; I329-L366 HydrophobicContact CG2-CB 4.48Å; I329-L366 HydrophobicContact CG2-CD1 4.34Å; V362-L366 HydrophobicContact CG1-CD1 4.44Å; V362-L366 WeakPolarHBondContact O-CG 3.34Å; V362-L366 PolarHBondContact O-N 3.4Å; C363-L366 PolarHBondContact O-N 3.46Å; L366-R369 WeakPolarHBondContact O-CB 3.45Å; L366-R369 PolarHBondContact O-N 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.3Å; L366-I370 PolarHBondContact O-N 3.31Å; L366-L409 HydrophobicContact CD2-CD1 4.29Å; L366-L409 HydrophobicContact CD2-CD2 4.32Å; L366-E413 HydrophobicContact CD2-CG 4.09Å
367I94.8Very high89.5Confident26 Ų2654.4 Ų54.413%0.13330%0.295CS..Hα-helixtrans-64.1-48.8177.9-71.9169.8000110.2I329 H330 C363 D364 R369 I370 Y371I329-I367 HydrophobicContact CD1-CG1 4.3Å; H330-I367 VanDerWaalsContact CE1-CD1 3.47Å; H330-I367 WeakPolarHBondContact CE1-CD1 3.46Å; C363-I367 VanDerWaalsContact O-CG1 3.3Å; C363-I367 WeakPolarHBondContact O-CG1 3.36Å; C363-I367 PolarHBondContact O-N 3.06Å; D364-I367 PolarHBondContact O-N 3.34Å; I367-R369 PolarHBondContact O-N 2.88Å; I367-I370 PolarHBondContact O-N 2.56Å; I367-I370 VanDerWaalsContact O-N 3.1Å; I367-Y371 HydrophobicContact CG2-CD2 3.82Å; I367-Y371 HydrophobicContact CG2-CE2 3.57Å; I367-Y371 VanDerWaalsContact O-CD2 3.23Å; I367-Y371 WeakPolarHBondContact O-CD2 3.16Å; I367-Y371 PolarHBondContact O-N 3.35Å; I367-Y371 VanDerWaalsContact O-N 3.1Å
368K92.8Very high88.8Confident119 Ų11951.5 Ų51.552%0.51727%0.273SS..Hα-helixtrans-54.4-40.6174.4-175.7-175.4178.5-167.90110.7D364 S365 Y371 Q372D364-K368 VanDerWaalsContact O-CB 3.29Å; D364-K368 WeakPolarHBondContact O-CB 3.39Å; D364-K368 PolarHBondContact O-N 3.27Å; S365-K368 PolarHBondContact O-N 3.25Å; K368-Y371 PolarHBondContact O-N 3.27Å; K368-Q372 WeakPolarHBondContact O-CG 3.42Å; K368-Q372 PolarHBondContact O-N 2.91Å
369R90.3Very high88.2Confident20 Ų2047.6 Ų47.68%0.07526%0.255CS..Hα-helixtrans-65.2-43.9177.7-175.258.6172.4-176.4-0.6112.7E21 S365 L366 I367 Y371 Q372 L373 L409 E413E21-R369 PolarHBondContact O-NH1 2.86Å; S365-R369 PolarHBondContact O-N 2.83Å; L366-R369 WeakPolarHBondContact O-CB 3.45Å; L366-R369 PolarHBondContact O-N 3.27Å; I367-R369 PolarHBondContact O-N 2.88Å; R369-Y371 VanDerWaalsContact C-N 3.28Å; R369-Y371 PolarHBondContact O-N 3.2Å; R369-Q372 WeakPolarHBondContact O-CB 3.3Å; R369-Q372 PolarHBondContact O-N 3.39Å; R369-Q372 VanDerWaalsContact O-N 3.08Å; R369-L373 HydrophobicContact CG-CD1 4.03Å; R369-L373 HydrophobicContact CG-CG 4.29Å; R369-L373 WeakPolarHBondContact O-CG 3.48Å; R369-L373 PolarHBondContact O-N 3.15Å; R369-L409 HydrophobicContact CB-CD1 4.37Å; R369-L409 HydrophobicContact CG-CD1 3.88Å; R369-E413 WeakPolarHBondContact CG-OE1 3.29Å
370I92.5Very high87.4Confident0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-57.6-43.4176.8-75-63.7000111.3V322 V325 I329 L366 I367 Q372 L373 S374 L405 L409V322-I370 HydrophobicContact CB-CG2 4.24Å; V322-I370 HydrophobicContact CG1-CG2 3.86Å; V322-I370 HydrophobicContact CG2-CG2 4.04Å; V325-I370 HydrophobicContact CB-CD1 4.49Å; V325-I370 HydrophobicContact CG1-CD1 3.62Å; V325-I370 HydrophobicContact CG1-CG1 3.9Å; I329-I370 HydrophobicContact CD1-CG1 4.22Å; L366-I370 WeakPolarHBondContact O-CG1 3.3Å; L366-I370 PolarHBondContact O-N 3.31Å; I367-I370 PolarHBondContact O-N 2.56Å; I367-I370 VanDerWaalsContact O-N 3.1Å; I370-Q372 VanDerWaalsContact C-N 3.34Å; I370-Q372 PolarHBondContact O-N 3.38Å; I370-L373 PolarHBondContact O-N 3.27Å; I370-S374 WeakPolarHBondContact O-CB 3.43Å; I370-S374 PolarHBondContact O-N 3.06Å; I370-S374 PolarHBondContact O-OG 3.46Å; I370-L405 HydrophobicContact CD1-CD1 4.18Å; I370-L405 HydrophobicContact CD1-CD2 4.32Å; I370-L405 HydrophobicContact CD1-CG 3.96Å; I370-L405 HydrophobicContact CG2-CD2 4.13Å; I370-L409 HydrophobicContact CD1-CB 4.09Å; I370-L409 HydrophobicContact CD1-CD1 3.98Å; I370-L409 HydrophobicContact CD1-CD2 3.99Å; I370-L409 HydrophobicContact CD1-CG 4.22Å; I370-L409 HydrophobicContact CG1-CD1 4.36Å; I370-L409 HydrophobicContact CG1-CD2 4.43Å
371Y91.8Very high86.4Confident123 Ų12351.5 Ų51.548%0.48228%0.277SS..Hα-helixtrans-65.5-33.8174.9-76.5-70.3000113.5V322 I367 K368 R369 S374 S375V322-Y371 HydrophobicContact CG1-CD1 3.92Å; V322-Y371 HydrophobicContact CG1-CE1 3.51Å; V322-Y371 HydrophobicContact CG1-CE2 4.49Å; I367-Y371 HydrophobicContact CG2-CD2 3.82Å; I367-Y371 HydrophobicContact CG2-CE2 3.57Å; I367-Y371 VanDerWaalsContact O-CD2 3.23Å; I367-Y371 WeakPolarHBondContact O-CD2 3.16Å; I367-Y371 PolarHBondContact O-N 3.35Å; I367-Y371 VanDerWaalsContact O-N 3.1Å; K368-Y371 PolarHBondContact O-N 3.27Å; R369-Y371 VanDerWaalsContact C-N 3.28Å; R369-Y371 PolarHBondContact O-N 3.2Å; Y371-S374 WeakPolarHBondContact CA-OG 3.48Å; Y371-S374 PolarHBondContact O-OG 3.39Å; Y371-S374 VanDerWaalsContact O-OG 3.13Å; Y371-S375 PolarHBondContact O-N 3.33Å
372Q88.6Confident85.5Confident66 Ų6646.9 Ų46.931%0.30825%0.251SS..Hα-helixtrans-68.9-39.2173.6-72.2172.9-11.200112.3K368 R369 I370 S375K368-Q372 WeakPolarHBondContact O-CG 3.42Å; K368-Q372 PolarHBondContact O-N 2.91Å; R369-Q372 WeakPolarHBondContact O-CB 3.3Å; R369-Q372 PolarHBondContact O-N 3.39Å; R369-Q372 VanDerWaalsContact O-N 3.08Å; I370-Q372 VanDerWaalsContact C-N 3.34Å; I370-Q372 PolarHBondContact O-N 3.38Å; Q372-S375 PolarHBondContact O-OG 3.49Å
373L88.3Confident84.4Confident3 Ų346 Ų462%0.01625%0.246CC..Hα-helixtrans-70.8-40.4178.9-68.2172.4000111R369 I370 S375 T376 I379 L405 V408 L409 T412R369-L373 HydrophobicContact CG-CD1 4.03Å; R369-L373 HydrophobicContact CG-CG 4.29Å; R369-L373 WeakPolarHBondContact O-CG 3.48Å; R369-L373 PolarHBondContact O-N 3.15Å; I370-L373 PolarHBondContact O-N 3.27Å; L373-S375 PolarHBondContact O-N 3Å; L373-T376 WeakPolarHBondContact O-CB 3.41Å; L373-T376 WeakPolarHBondContact O-CG2 3.38Å; L373-T376 PolarHBondContact O-N 3.21Å; L373-T376 VanDerWaalsContact O-N 3.12Å; L373-T376 PolarHBondContact O-OG1 3.27Å; L373-I379 HydrophobicContact CB-CG1 4.47Å; L373-I379 WeakPolarHBondContact O-CG1 3.15Å; L373-L405 HydrophobicContact CB-CD1 4.33Å; L373-V408 HydrophobicContact CD1-CG1 4.38Å; L373-V408 HydrophobicContact CD2-CG1 4.31Å; L373-L409 HydrophobicContact CD1-CB 4.41Å; L373-L409 HydrophobicContact CD1-CD1 4.14Å; L373-T412 HydrophobicContact CD2-CG2 4Å
374S86.3Confident82.8Confident22 Ų2248.3 Ų48.315%0.15426%0.262CS..Hα-helixtrans-69.1-18.8-17866.10000114.7V322 I370 Y371 T376V322-S374 WeakPolarHBondContact CG2-OG 3.47Å; I370-S374 WeakPolarHBondContact O-CB 3.43Å; I370-S374 PolarHBondContact O-N 3.06Å; I370-S374 PolarHBondContact O-OG 3.46Å; Y371-S374 WeakPolarHBondContact CA-OG 3.48Å; Y371-S374 PolarHBondContact O-OG 3.39Å; Y371-S374 VanDerWaalsContact O-OG 3.13Å; S374-T376 PolarHBondContact O-N 3.25Å
375S82.7Confident80.7Confident93 Ų9349 Ų4965%0.6527%0.265SS*.THydrogen-bonded Turntrans-80-5.1173.766.90000113.5Y371 Q372 L373Y371-S375 PolarHBondContact O-N 3.33Å; Q372-S375 PolarHBondContact O-OG 3.49Å; L373-S375 PolarHBondContact O-N 3Å
376T79.9Confident78.7Confident44 Ų4447.1 Ų47.127%0.2725%0.252SS..SBendtrans-81.4140.6175.5700000111.1L373 S374 I378 I379 S380L373-T376 WeakPolarHBondContact O-CB 3.41Å; L373-T376 WeakPolarHBondContact O-CG2 3.38Å; L373-T376 PolarHBondContact O-N 3.21Å; L373-T376 VanDerWaalsContact O-N 3.12Å; L373-T376 PolarHBondContact O-OG1 3.27Å; S374-T376 PolarHBondContact O-N 3.25Å; T376-I378 PolarHBondContact O-N 3.16Å; T376-I378 VanDerWaalsContact O-N 3.11Å; T376-I379 PolarHBondContact O-N 3.25Å; T376-I379 WeakPolarHBondContact OG1-CG1 3.39Å; T376-S380 PolarHBondContact O-N 3.49Å
377N73.3Confident76.3Confident121 Ų12151.8 Ų51.865%0.64728%0.283SS*.Hα-helixtrans-57.7-28.2177.7-68.6-18.7000112.7S380 N381N377-S380 WeakPolarHBondContact O-CB 3.07Å; N377-S380 PolarHBondContact O-N 3.31Å; N377-N381 PolarHBondContact O-N 3.45Å; N377-N381 VanDerWaalsContact O-N 3.13Å
378I71.6Confident73.6Confident23 Ų2357.8 Ų57.812%0.11832%0.315CS..Hα-helixtrans-68-47.2-177.9-62.9170.2000110.4E32 T376 S380 N381 M382E32-I378 HydrophobicContact CB-CD1 4.3Å; E32-I378 HydrophobicContact CB-CG2 3.98Å; E32-I378 HydrophobicContact CG-CD1 4.49Å; E32-I378 HydrophobicContact CG-CG2 3.92Å; E32-I378 WeakPolarHBondContact OE2-CD1 3.2Å; T376-I378 PolarHBondContact O-N 3.16Å; T376-I378 VanDerWaalsContact O-N 3.11Å; I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 2.67Å; I378-N381 PolarHBondContact O-N 3.12Å; I378-M382 HydrophobicContact CG2-CG 4.37Å; I378-M382 HydrophobicContact CG2-SD 3.94Å; I378-M382 WeakPolarHBondContact O-CB 3.38Å; I378-M382 VanDerWaalsContact O-CG 3.3Å; I378-M382 WeakPolarHBondContact O-CG 3.42Å; I378-M382 PolarHBondContact O-N 3.23Å
379I77.7Confident71Confident0 Ų057.6 Ų57.60%031%0.311CS..Hα-helixtrans-64.3-36.6176.4-65.9-57000111.3V318 L373 T376 N381 M382 C383 L405 V408V318-I379 HydrophobicContact CG1-CG2 4.36Å; L373-I379 HydrophobicContact CB-CG1 4.47Å; L373-I379 WeakPolarHBondContact O-CG1 3.15Å; T376-I379 PolarHBondContact O-N 3.25Å; T376-I379 WeakPolarHBondContact OG1-CG1 3.39Å; I379-N381 VanDerWaalsContact C-N 3.34Å; I379-N381 PolarHBondContact O-N 3.03Å; I379-M382 HydrophobicContact CD1-SD 4.29Å; I379-M382 PolarHBondContact O-N 3.29Å; I379-C383 WeakPolarHBondContact O-CB 3.35Å; I379-C383 PolarHBondContact O-N 2.9Å; I379-C383 PolarHBondContact O-SG 2.91Å; I379-C383 VanDerWaalsContact O-SG 3.42Å; I379-L405 HydrophobicContact CD1-CD1 4.19Å; I379-L405 HydrophobicContact CG1-CD1 4.43Å; I379-L405 HydrophobicContact CG2-CD1 4.06Å; I379-V408 HydrophobicContact CD1-CB 3.96Å; I379-V408 HydrophobicContact CD1-CG1 3.98Å; I379-V408 HydrophobicContact CD1-CG2 3.7Å
380S75Confident68.5Low47 Ų4759.6 Ų59.633%0.32933%0.327SS..Hα-helixtrans-57-48.7175.5-173.20000111.6T376 N377 I378 C384T376-S380 PolarHBondContact O-N 3.49Å; N377-S380 WeakPolarHBondContact O-CB 3.07Å; N377-S380 PolarHBondContact O-N 3.31Å; I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 2.67Å; S380-C384 WeakPolarHBondContact O-CB 3.32Å; S380-C384 PolarHBondContact O-N 2.74Å; S380-C384 PolarHBondContact O-SG 2.8Å
381N71.2Confident65.8Low93 Ų9363 Ų6350%0.49734%0.344SS..Hα-helixtrans-67.3-46.8178.1-64-7.8000111.1N377 I378 I379 C383 C384 D385N377-N381 PolarHBondContact O-N 3.45Å; N377-N381 VanDerWaalsContact O-N 3.13Å; I378-N381 PolarHBondContact O-N 3.12Å; I379-N381 VanDerWaalsContact C-N 3.34Å; I379-N381 PolarHBondContact O-N 3.03Å; N381-C383 VanDerWaalsContact C-N 3.3Å; N381-C383 PolarHBondContact O-N 2.98Å; N381-C384 PolarHBondContact O-N 3.04Å; N381-C384 VanDerWaalsContact O-N 3.16Å; N381-D385 WeakPolarHBondContact O-CB 3.29Å; N381-D385 PolarHBondContact O-N 3.39Å
382M72.7Confident63.1Low12 Ų1264.9 Ų64.96%0.05936%0.357CS..Hα-helixtrans-57.3-40.9-179.4-75.5-178.266.600113.1Q35 I378 I379 K404 V408Q35-M382 HydrophobicContact CB-CE 3.62Å; Q35-M382 HydrophobicContact CB-SD 3.98Å; Q35-M382 HydrophobicContact CG-CE 3.76Å; I378-M382 HydrophobicContact CG2-CG 4.37Å; I378-M382 HydrophobicContact CG2-SD 3.94Å; I378-M382 WeakPolarHBondContact O-CB 3.38Å; I378-M382 VanDerWaalsContact O-CG 3.3Å; I378-M382 WeakPolarHBondContact O-CG 3.42Å; I378-M382 PolarHBondContact O-N 3.23Å; I379-M382 HydrophobicContact CD1-SD 4.29Å; I379-M382 PolarHBondContact O-N 3.29Å; M382-K404 HydrophobicContact CB-CD 4.25Å; M382-K404 HydrophobicContact CE-CB 4.17Å; M382-K404 HydrophobicContact CE-CD 4.47Å; M382-K404 HydrophobicContact CE-CG 4.44Å; M382-K404 WeakPolarHBondContact O-CD 3.39Å; M382-K404 WeakPolarHBondContact O-CE 3.47Å; M382-K404 PolarHBondContact O-NZ 3.36Å; M382-V408 HydrophobicContact CE-CG2 3.84Å; M382-V408 HydrophobicContact SD-CG2 4.11Å
383C67.7Low60.6Low1 Ų163.6 Ų63.61%0.00736%0.358CS..Hα-helixtrans-77.2-28.8-179.6-720000113.2V318 I379 N381V318-C383 HydrophobicContact CG2-CB 4.04Å; I379-C383 WeakPolarHBondContact O-CB 3.35Å; I379-C383 PolarHBondContact O-N 2.9Å; I379-C383 PolarHBondContact O-SG 2.91Å; I379-C383 VanDerWaalsContact O-SG 3.42Å; N381-C383 VanDerWaalsContact C-N 3.3Å; N381-C383 PolarHBondContact O-N 2.98Å
384C60.5Low58.1Low55 Ų5564.6 Ų64.637%0.37237%0.369SS..Hα-helixtrans-85-34.9179.7-680000112.9S380 N381 T386S380-C384 WeakPolarHBondContact O-CB 3.32Å; S380-C384 PolarHBondContact O-N 2.74Å; S380-C384 PolarHBondContact O-SG 2.8Å; N381-C384 PolarHBondContact O-N 3.04Å; N381-C384 VanDerWaalsContact O-N 3.16Å; C384-T386 VanDerWaalsContact C-N 3.25Å; C384-T386 PolarHBondContact O-N 3.04Å
385D50.9Low56.1Low111 Ų11165.2 Ų65.259%0.59438%0.379SS*.  trans-77.676.2178.3-66.8-29.7000110.2N381 K404N381-D385 WeakPolarHBondContact O-CB 3.29Å; N381-D385 PolarHBondContact O-N 3.39Å; D385-K404 PolarHBondContact O-NZ 3.28Å
386T50.1Low54.6Low10 Ų1061.7 Ų61.76%0.06135%0.353CS..  trans-119115160.424.70000107.5C384 D388 R400C384-T386 VanDerWaalsContact C-N 3.25Å; C384-T386 PolarHBondContact O-N 3.04Å; T386-D388 PolarHBondContact O-N 3.43Å; T386-R400 HydrophobicContact CG2-CB 3.64Å; T386-R400 VanDerWaalsContact CG2-CD 3.48Å; T386-R400 HydrophobicContact CG2-CG 4.22Å
387P42.8Very low53.1Low99 Ų9960.6 Ų60.664%0.64335%0.346SS*.  trans-56.5145.6-179.721.6-30.7000109.1R389P387-R389 PolarHBondContact O-N 3.14Å
388D38.3Very low52.1Low151 Ų15156.9 Ų56.981%0.80732%0.323SS*.  trans-56.462177.4-66.6-45.6000111.9T386 P390T386-D388 PolarHBondContact O-N 3.43Å; D388-P390 WeakPolarHBondContact O-CD 3.25Å
389R39.5Very low51.7Low115 Ų11555.9 Ų55.943%0.43432%0.318SS..  trans-84.8106.8170.9-132.8-173.6-166.1-169.614.1105.1P387 A393 V397 E515P387-R389 PolarHBondContact O-N 3.14Å; R389-A393 HydrophobicContact CB-CB 4.4Å; R389-A393 HydrophobicContact CG-CB 3.69Å; R389-V397 WeakPolarHBondContact O-CG2 3.39Å; R389-E515 IonicContact CZ-OE1 3.9Å; R389-E515 IonicContact NH1-OE1 3.94Å; R389-E515 PolarHBondContact NH1-OE1 3.1Å; R389-E515 IonicContact NH2-OE1 2.63Å
390P37.3Very low51.4Low63 Ų6359.4 Ų59.441%0.40933%0.332SS..  trans-58.7148.9-179.824.6-36.4000110.6D388 H392 A393D388-P390 WeakPolarHBondContact O-CD 3.25Å; P390-H392 WeakPolarHBondContact CB-CE1 3.4Å; P390-H392 WeakPolarHBondContact CB-ND1 3.41Å; P390-H392 WeakPolarHBondContact CG-CE1 3.43Å; P390-H392 VanDerWaalsContact CG-NE2 3.34Å; P390-H392 WeakPolarHBondContact CG-NE2 3.41Å; P390-H392 PolarHBondContact O-N 3.33Å; P390-A393 WeakPolarHBondContact O-CB 3.47Å; P390-A393 PolarHBondContact O-N 3.03Å
391L36Very low51.5Low72 Ų7257.1 Ų57.138%0.37732%0.316SS..G310 helixtrans-48.2-25.6-174.1-74.8162.7000114.9A312 A393 G394 T396A312-L391 HydrophobicContact CB-CD1 3.79Å; L391-A393 PolarHBondContact O-N 2.86Å; L391-G394 PolarHBondContact O-N 2.94Å; L391-T396 HydrophobicContact CD2-CG2 4.45Å
392H35.8Very low52.1Low161 Ų16152.7 Ų52.775%0.74529%0.292SS*.G310 helixtrans-68.5-13.517760.6-103.5000114.1P390 G394P390-H392 WeakPolarHBondContact CB-CE1 3.4Å; P390-H392 WeakPolarHBondContact CB-ND1 3.41Å; P390-H392 WeakPolarHBondContact CG-CE1 3.43Å; P390-H392 VanDerWaalsContact CG-NE2 3.34Å; P390-H392 WeakPolarHBondContact CG-NE2 3.41Å; P390-H392 PolarHBondContact O-N 3.33Å; H392-G394 PolarHBondContact O-N 3.43Å
393A35.6Very low52.8Low39 Ų3954 Ų5432%0.32230%0.297SS..G310 helixtrans-76.52.8174.200000113.7R389 P390 L391R389-A393 HydrophobicContact CB-CB 4.4Å; R389-A393 HydrophobicContact CG-CB 3.69Å; P390-A393 WeakPolarHBondContact O-CB 3.47Å; P390-A393 PolarHBondContact O-N 3.03Å; L391-A393 PolarHBondContact O-N 2.86Å
394G35.2Very low53.6Low24 Ų2455.2 Ų55.225%0.24730%0.303CS..SBendtrans82.9132.2177.900000112.9L391 H392L391-G394 PolarHBondContact O-N 2.94Å; H392-G394 PolarHBondContact O-N 3.43Å
395G44.4Very low55Low35 Ų3552.6 Ų52.636%0.36129%0.285SS..SBendtrans88.5143.7-175.700000112.8V397G395-V397 PolarHBondContact O-N 3.33Å
396T50.3Low56.9Low20 Ų2047.3 Ų47.312%0.12326%0.257CS..  trans-70.7127171.133.50000109.8S299 L391 R398 G399 Y510S299-T396 WeakPolarHBondContact O-CB 3.49Å; S299-T396 WeakPolarHBondContact O-CG2 3.23Å; S299-T396 PolarHBondContact O-OG1 3.05Å; L391-T396 HydrophobicContact CD2-CG2 4.45Å; T396-R398 PolarHBondContact O-N 3Å; T396-R398 VanDerWaalsContact O-N 3.14Å; T396-G399 PolarHBondContact O-N 3.29Å; T396-G399 PolarHBondContact OG1-N 3.46Å; T396-Y510 HydrophobicContact CG2-CE1 3.38Å; T396-Y510 WeakPolarHBondContact CG2-OH 3.42Å
397V49Very low58.9Low20 Ų2047 Ų4712%0.12126%0.255CS..Hα-helixtrans-47.6-37.1160.2178.40000109.2L315 R389 G395 G399 R400L315-V397 HydrophobicContact CD2-CG1 4.07Å; R389-V397 WeakPolarHBondContact O-CG2 3.39Å; G395-V397 PolarHBondContact O-N 3.33Å; V397-G399 PolarHBondContact O-N 3.45Å; V397-R400 PolarHBondContact O-N 2.88Å
398R52.9Low61.2Low44 Ų4442.4 Ų42.417%0.16622%0.224CC..Hα-helixtrans-57.5-44.5176.8-137.7173.7-174.9-159.60.3113.9D303 M316 D320 T396 R400D303-R398 IonicContact OD2-NH1 3.73Å; M316-R398 HydrophobicContact CB-CG 3.97Å; M316-R398 WeakPolarHBondContact CE-O 3.46Å; M316-R398 HydrophobicContact CG-CG 3.85Å; M316-R398 HydrophobicContact SD-CG 4.05Å; D320-R398 IonicContact OD1-NH2 3.86Å; D320-R398 IonicContact OD2-CZ 2.81Å; D320-R398 IonicContact OD2-NE 2.83Å; D320-R398 IonicContact OD2-NH2 2.64Å; D320-R398 PolarHBondContact OD2-NH2 3.47Å; T396-R398 PolarHBondContact O-N 3Å; T396-R398 VanDerWaalsContact O-N 3.14Å; R398-R400 VanDerWaalsContact C-N 3.26Å; R398-R400 PolarHBondContact O-N 2.8Å
399G62.8Low63.8Low1 Ų135.2 Ų35.21%0.0119%0.186CC..Hα-helixtrans-68.1-21.5-177.100000115.3L298 T396 V397 G401 A402 F403L298-G399 VanDerWaalsContact O-CA 3.29Å; L298-G399 WeakPolarHBondContact O-CA 3.33Å; T396-G399 PolarHBondContact O-N 3.29Å; T396-G399 PolarHBondContact OG1-N 3.46Å; V397-G399 PolarHBondContact O-N 3.45Å; G399-G401 PolarHBondContact O-N 3.41Å; G399-A402 PolarHBondContact O-N 3.41Å; G399-F403 WeakPolarHBondContact O-CD1 3.44Å; G399-F403 VanDerWaalsContact O-CG 3.23Å; G399-F403 WeakPolarHBondContact O-CG 3.41Å; G399-F403 PolarHBondContact O-N 3.36Å
400R70.8Confident66.4Low74 Ų7429.8 Ų29.828%0.27917%0.166SC..Hα-helixtrans-65.5-44.5-169.7-67.7-175.3-178.7-159.8-0.1113.6T386 V397 R398 A402 F403 K404T386-R400 HydrophobicContact CG2-CB 3.64Å; T386-R400 VanDerWaalsContact CG2-CD 3.48Å; T386-R400 HydrophobicContact CG2-CG 4.22Å; V397-R400 PolarHBondContact O-N 2.88Å; R398-R400 VanDerWaalsContact C-N 3.26Å; R398-R400 PolarHBondContact O-N 2.8Å; R400-A402 VanDerWaalsContact C-N 3.29Å; R400-A402 PolarHBondContact O-N 2.82Å; R400-F403 PolarHBondContact O-N 2.71Å; R400-K404 WeakPolarHBondContact O-CG 3.47Å; R400-K404 PolarHBondContact O-N 3.1Å
401G78.5Confident69Low0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-63.5-35.7176.700000112.2G399 K404 L405G399-G401 PolarHBondContact O-N 3.41Å; G401-K404 PolarHBondContact O-N 3.13Å; G401-L405 WeakPolarHBondContact O-CB 3.31Å; G401-L405 PolarHBondContact O-N 3.18Å
402A84.3Confident71.5Confident0 Ų023.5 Ų23.50%013%0.129CC..Hα-helixtrans-71.5-38.4-179.700000110L298 M316 V325 G399 R400 L405 I406L298-A402 HydrophobicContact CD2-CB 4.13Å; M316-A402 HydrophobicContact CE-CB 3.98Å; M316-A402 HydrophobicContact SD-CB 4.49Å; V325-A402 HydrophobicContact CG2-CB 4.03Å; G399-A402 PolarHBondContact O-N 3.41Å; R400-A402 VanDerWaalsContact C-N 3.29Å; R400-A402 PolarHBondContact O-N 2.82Å; A402-L405 PolarHBondContact O-N 3.5Å; A402-I406 WeakPolarHBondContact O-CG1 3.4Å; A402-I406 PolarHBondContact O-N 2.89Å
403F85.5Confident74Confident38 Ų3816 Ų1617%0.1679%0.094CC..Hα-helixtrans-63-48172.1-65.2-8.8000111.5V213 L298 G399 R400 L405 I406 R407V213-F403 HydrophobicContact CG1-CB 4.14Å; V213-F403 HydrophobicContact CG1-CG 4.39Å; V213-F403 HydrophobicContact CG2-CB 4.12Å; V213-F403 HydrophobicContact CG2-CD1 3.86Å; V213-F403 HydrophobicContact CG2-CG 4.12Å; L298-F403 HydrophobicContact CB-CD1 4.1Å; L298-F403 HydrophobicContact CB-CE1 3.53Å; L298-F403 HydrophobicContact CD1-CD1 4.19Å; L298-F403 HydrophobicContact CD1-CE1 3.95Å; L298-F403 HydrophobicContact CG-CE1 4.38Å; G399-F403 WeakPolarHBondContact O-CD1 3.44Å; G399-F403 VanDerWaalsContact O-CG 3.23Å; G399-F403 WeakPolarHBondContact O-CG 3.41Å; G399-F403 PolarHBondContact O-N 3.36Å; R400-F403 PolarHBondContact O-N 2.71Å; F403-L405 VanDerWaalsContact C-N 3.32Å; F403-L405 PolarHBondContact O-N 3.33Å; F403-I406 PolarHBondContact O-N 3.23Å; F403-R407 WeakPolarHBondContact O-CG 3.38Å; F403-R407 PolarHBondContact O-N 2.86Å
404K85.5Confident76.1Confident28 Ų2814.1 Ų14.112%0.1228%0.079CC..Hα-helixtrans-55.3-46.6175.1-78.3-176.3-179.4-171.60111.7M382 D385 R400 G401 R407 V408M382-K404 HydrophobicContact CB-CD 4.25Å; M382-K404 HydrophobicContact CE-CB 4.17Å; M382-K404 HydrophobicContact CE-CD 4.47Å; M382-K404 HydrophobicContact CE-CG 4.44Å; M382-K404 WeakPolarHBondContact O-CD 3.39Å; M382-K404 WeakPolarHBondContact O-CE 3.47Å; M382-K404 PolarHBondContact O-NZ 3.36Å; D385-K404 PolarHBondContact O-NZ 3.28Å; R400-K404 WeakPolarHBondContact O-CG 3.47Å; R400-K404 PolarHBondContact O-N 3.1Å; G401-K404 PolarHBondContact O-N 3.13Å; K404-R407 PolarHBondContact O-N 3.01Å; K404-R407 VanDerWaalsContact O-N 3.17Å; K404-V408 PolarHBondContact O-N 2.91Å; K404-V408 VanDerWaalsContact O-N 3.11Å
405L89.3Confident78.2Confident0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-63-41.8177.8-178.555.6000112.8A321 V322 V325 I370 L373 I379 G401 A402 F403 R407 V408 L409A321-L405 HydrophobicContact CB-CD2 4.29Å; V322-L405 HydrophobicContact CG2-CD2 3.99Å; V325-L405 HydrophobicContact CB-CD2 4.42Å; V325-L405 HydrophobicContact CG2-CB 4.33Å; V325-L405 HydrophobicContact CG2-CD2 4.01Å; V325-L405 HydrophobicContact CG2-CG 4.25Å; I370-L405 HydrophobicContact CD1-CD1 4.18Å; I370-L405 HydrophobicContact CD1-CD2 4.32Å; I370-L405 HydrophobicContact CD1-CG 3.96Å; I370-L405 HydrophobicContact CG2-CD2 4.13Å; L373-L405 HydrophobicContact CB-CD1 4.33Å; I379-L405 HydrophobicContact CD1-CD1 4.19Å; I379-L405 HydrophobicContact CG1-CD1 4.43Å; I379-L405 HydrophobicContact CG2-CD1 4.06Å; G401-L405 WeakPolarHBondContact O-CB 3.31Å; G401-L405 PolarHBondContact O-N 3.18Å; A402-L405 PolarHBondContact O-N 3.5Å; F403-L405 VanDerWaalsContact C-N 3.32Å; F403-L405 PolarHBondContact O-N 3.33Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.47Å; L405-V408 PolarHBondContact O-N 3.02Å; L405-L409 PolarHBondContact O-N 3.01Å
406I91.9Very high79.8Confident0 Ų016.8 Ų16.80%07%0.072CC..Hα-helixtrans-59.8-43.7172.7-75.4171.3000110.9L209 V213 L298 V325 A402 F403 V408 L409 L410L209-I406 HydrophobicContact CB-CD1 4.34Å; L209-I406 HydrophobicContact CB-CG2 4.07Å; L209-I406 HydrophobicContact CD2-CG1 4.29Å; L209-I406 HydrophobicContact CG-CD1 4.37Å; V213-I406 HydrophobicContact CG2-CB 3.96Å; V213-I406 HydrophobicContact CG2-CD1 4.05Å; V213-I406 HydrophobicContact CG2-CG2 3.68Å; L298-I406 HydrophobicContact CD1-CD1 3.32Å; L298-I406 HydrophobicContact CD2-CD1 3.49Å; L298-I406 VanDerWaalsContact CD2-CD1 3.49Å; L298-I406 HydrophobicContact CG-CD1 4.04Å; V325-I406 HydrophobicContact CG1-CG1 3.96Å; V325-I406 HydrophobicContact CG2-CD1 4.22Å; V325-I406 HydrophobicContact CG2-CG1 3.82Å; A402-I406 WeakPolarHBondContact O-CG1 3.4Å; A402-I406 PolarHBondContact O-N 2.89Å; F403-I406 PolarHBondContact O-N 3.23Å; I406-V408 VanDerWaalsContact C-N 3.31Å; I406-V408 PolarHBondContact O-N 3.47Å; I406-L409 WeakPolarHBondContact O-CB 3.18Å; I406-L409 PolarHBondContact O-N 2.93Å; I406-L409 VanDerWaalsContact O-N 3.14Å; I406-L410 HydrophobicContact CG2-CD1 3.98Å; I406-L410 HydrophobicContact CG2-CG 4.14Å; I406-L410 VanDerWaalsContact O-CG 3.28Å; I406-L410 WeakPolarHBondContact O-CG 3.33Å; I406-L410 PolarHBondContact O-N 3.33Å
407R91.6Very high81.1Confident4 Ų416.2 Ų16.22%0.0157%0.068CC..Hα-helixtrans-61.7-40.7-179.5-63.8-174.2-65175.16.9111.9Y31 E40 S43 E45 T46 V213 F403 K404 L405 L410 V411Y31-R407 WeakPolarHBondContact OH-CB 3.48Å; E40-R407 IonicContact OE1-NH1 2.95Å; E40-R407 IonicContact OE1-NH2 2.83Å; E40-R407 PolarHBondContact OE1-NH2 3.11Å; E40-R407 IonicContact OE2-CZ 3.78Å; E40-R407 IonicContact OE2-NH1 3.08Å; E40-R407 PolarHBondContact OE2-NH1 3.27Å; E40-R407 IonicContact OE2-NH2 2.78Å; E40-R407 PolarHBondContact OE2-NH2 3.4Å; S43-R407 PolarHBondContact O-NH1 3.4Å; E45-R407 WeakPolarHBondContact O-CD 3.45Å; T46-R407 HydrophobicContact CG2-CG 4.31Å; V213-R407 HydrophobicContact CG1-CG 4.12Å; F403-R407 WeakPolarHBondContact O-CG 3.38Å; F403-R407 PolarHBondContact O-N 2.86Å; K404-R407 PolarHBondContact O-N 3.01Å; K404-R407 VanDerWaalsContact O-N 3.17Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.47Å; R407-L410 PolarHBondContact O-N 2.79Å; R407-V411 WeakPolarHBondContact O-CG2 3.1Å; R407-V411 PolarHBondContact O-N 3.43Å
408V91.4Very high82.4Confident1 Ų116.3 Ų16.31%0.0067%0.067CC..Hα-helixtrans-65.5-40.6173.4178.80000111.5Y31 L373 I379 M382 K404 L405 I406 L410 V411 T412Y31-V408 HydrophobicContact CD1-CG2 4.3Å; Y31-V408 HydrophobicContact CE1-CG2 3.87Å; L373-V408 HydrophobicContact CD1-CG1 4.38Å; L373-V408 HydrophobicContact CD2-CG1 4.31Å; I379-V408 HydrophobicContact CD1-CB 3.96Å; I379-V408 HydrophobicContact CD1-CG1 3.98Å; I379-V408 HydrophobicContact CD1-CG2 3.7Å; M382-V408 HydrophobicContact CE-CG2 3.84Å; M382-V408 HydrophobicContact SD-CG2 4.11Å; K404-V408 PolarHBondContact O-N 2.91Å; K404-V408 VanDerWaalsContact O-N 3.11Å; L405-V408 PolarHBondContact O-N 3.02Å; I406-V408 VanDerWaalsContact C-N 3.31Å; I406-V408 PolarHBondContact O-N 3.47Å; V408-L410 VanDerWaalsContact C-N 3.33Å; V408-L410 PolarHBondContact O-N 3.18Å; V408-V411 PolarHBondContact O-N 3.3Å; V408-T412 HydrophobicContact CG1-CG2 4.16Å; V408-T412 WeakPolarHBondContact O-CG2 3.36Å; V408-T412 PolarHBondContact O-N 3.42Å; V408-T412 PolarHBondContact O-OG1 3.49Å
409L92.8Very high83.1Confident0 Ų016.9 Ų16.90%07%0.073CC..Hα-helixtrans-57.6-45.6173.3-179.273.4000111.2L206 L209 L366 R369 I370 L373 L405 I406 V411 T412 E413L206-L409 HydrophobicContact CD2-CD2 3.93Å; L206-L409 HydrophobicContact CD2-CG 4.2Å; L209-L409 HydrophobicContact CD2-CD2 3.85Å; L366-L409 HydrophobicContact CD2-CD1 4.29Å; L366-L409 HydrophobicContact CD2-CD2 4.32Å; R369-L409 HydrophobicContact CB-CD1 4.37Å; R369-L409 HydrophobicContact CG-CD1 3.88Å; I370-L409 HydrophobicContact CD1-CB 4.09Å; I370-L409 HydrophobicContact CD1-CD1 3.98Å; I370-L409 HydrophobicContact CD1-CD2 3.99Å; I370-L409 HydrophobicContact CD1-CG 4.22Å; I370-L409 HydrophobicContact CG1-CD1 4.36Å; I370-L409 HydrophobicContact CG1-CD2 4.43Å; L373-L409 HydrophobicContact CD1-CB 4.41Å; L373-L409 HydrophobicContact CD1-CD1 4.14Å; L405-L409 PolarHBondContact O-N 3.01Å; I406-L409 WeakPolarHBondContact O-CB 3.18Å; I406-L409 PolarHBondContact O-N 2.93Å; I406-L409 VanDerWaalsContact O-N 3.14Å; L409-V411 VanDerWaalsContact C-N 3.28Å; L409-V411 PolarHBondContact O-N 3.2Å; L409-T412 PolarHBondContact O-N 3.31Å; L409-T412 PolarHBondContact O-OG1 3.44Å; L409-E413 HydrophobicContact CD1-CG 3.68Å; L409-E413 HydrophobicContact CG-CG 3.99Å; L409-E413 VanDerWaalsContact O-CB 3.31Å; L409-E413 WeakPolarHBondContact O-CB 3.41Å; L409-E413 WeakPolarHBondContact O-CG 3.42Å; L409-E413 PolarHBondContact O-N 3.22Å
410L92.9Very high82.9Confident1 Ų118.7 Ų18.71%0.0059%0.088CC..Hα-helixtrans-60.2-37.1-179.6-67.8171.6000112.6T46 L206 I406 R407 V408 S414T46-L410 HydrophobicContact CG2-CD1 4.38Å; L206-L410 HydrophobicContact CB-CD2 3.96Å; L206-L410 HydrophobicContact CD2-CD2 4.18Å; L206-L410 WeakPolarHBondContact O-CD2 3.48Å; I406-L410 HydrophobicContact CG2-CD1 3.98Å; I406-L410 HydrophobicContact CG2-CG 4.14Å; I406-L410 VanDerWaalsContact O-CG 3.28Å; I406-L410 WeakPolarHBondContact O-CG 3.33Å; I406-L410 PolarHBondContact O-N 3.33Å; R407-L410 PolarHBondContact O-N 2.79Å; V408-L410 VanDerWaalsContact C-N 3.33Å; V408-L410 PolarHBondContact O-N 3.18Å; L410-S414 PolarHBondContact O-N 2.88Å
411V91.6Very high81.9Confident1 Ų118.1 Ų18.11%0.00610%0.095CC..Hα-helixtrans-72.1-49.4177174.60000110.6I27 Y31 Y47 R407 V408 L409 E413 S414I27-V411 HydrophobicContact CG1-CG1 4.24Å; I27-V411 HydrophobicContact CG2-CG1 4.46Å; Y31-V411 HydrophobicContact CD1-CB 4.35Å; Y31-V411 HydrophobicContact CD1-CG2 3.86Å; Y31-V411 HydrophobicContact CD2-CG2 3.61Å; Y31-V411 HydrophobicContact CE1-CG2 4.08Å; Y31-V411 HydrophobicContact CE2-CG2 3.84Å; Y31-V411 HydrophobicContact CG-CB 4.28Å; Y31-V411 HydrophobicContact CG-CG1 4.13Å; Y31-V411 HydrophobicContact CG-CG2 3.63Å; Y47-V411 HydrophobicContact CD1-CB 4.32Å; Y47-V411 HydrophobicContact CD1-CG2 3.76Å; Y47-V411 HydrophobicContact CD2-CG2 4.25Å; Y47-V411 HydrophobicContact CE1-CG2 4.46Å; Y47-V411 HydrophobicContact CG-CG2 3.62Å; R407-V411 WeakPolarHBondContact O-CG2 3.1Å; R407-V411 PolarHBondContact O-N 3.43Å; V408-V411 PolarHBondContact O-N 3.3Å; L409-V411 VanDerWaalsContact C-N 3.28Å; L409-V411 PolarHBondContact O-N 3.2Å; V411-E413 PolarHBondContact O-N 3.5Å; V411-S414 WeakPolarHBondContact O-CB 3.44Å; V411-S414 PolarHBondContact O-N 3.33Å; V411-S414 PolarHBondContact O-OG 2.81Å
412T88.8Confident79.8Confident2 Ų224.4 Ų24.41%0.01213%0.134CC..Hα-helixtrans-69.7-35.8-175.154.20000113.2Q28 L373 V408 L409 S414 E415 R416Q28-T412 HydrophobicContact CB-CG2 4.24Å; Q28-T412 VanDerWaalsContact CD-CG2 3.45Å; Q28-T412 HydrophobicContact CG-CG2 3.71Å; L373-T412 HydrophobicContact CD2-CG2 4Å; V408-T412 HydrophobicContact CG1-CG2 4.16Å; V408-T412 WeakPolarHBondContact O-CG2 3.36Å; V408-T412 PolarHBondContact O-N 3.42Å; V408-T412 PolarHBondContact O-OG1 3.49Å; L409-T412 PolarHBondContact O-N 3.31Å; L409-T412 PolarHBondContact O-OG1 3.44Å; T412-S414 VanDerWaalsContact C-N 3.26Å; T412-S414 PolarHBondContact O-N 3.49Å; T412-E415 PolarHBondContact O-N 3.07Å; T412-R416 PolarHBondContact O-N 3.5Å
413E88.1Confident77.3Confident3 Ų332.4 Ų32.41%0.01417%0.169CC..Hα-helixtrans-69.5-25.4173.8-71.8-58.3118.900112.6L206 L366 R369 L409 V411 E415 R416 L417L206-E413 HydrophobicContact CD1-CB 3.71Å; L206-E413 HydrophobicContact CD1-CG 4.28Å; L206-E413 HydrophobicContact CD2-CB 4.37Å; L206-E413 HydrophobicContact CD2-CG 4.19Å; L366-E413 HydrophobicContact CD2-CG 4.09Å; R369-E413 WeakPolarHBondContact CG-OE1 3.29Å; L409-E413 HydrophobicContact CD1-CG 3.68Å; L409-E413 HydrophobicContact CG-CG 3.99Å; L409-E413 VanDerWaalsContact O-CB 3.31Å; L409-E413 WeakPolarHBondContact O-CB 3.41Å; L409-E413 WeakPolarHBondContact O-CG 3.42Å; L409-E413 PolarHBondContact O-N 3.22Å; V411-E413 PolarHBondContact O-N 3.5Å; E413-E415 VanDerWaalsContact C-N 3.29Å; E413-E415 PolarHBondContact O-N 3.31Å; E413-R416 PolarHBondContact O-N 3.33Å; E413-R416 WeakPolarHBondContact OE1-CD 3.44Å; E413-L417 PolarHBondContact O-N 3.42Å
414S80.9Confident74.7Confident1 Ų139.8 Ų39.81%0.00720%0.197CC..Hα-helixtrans-64.3-35.8176.584.20000112.6Y47 L49 L410 V411 T412 L417Y47-S414 WeakPolarHBondContact CE1-OG 3.31Å; L49-S414 VanDerWaalsContact CD2-CB 3.47Å; L410-S414 PolarHBondContact O-N 2.88Å; V411-S414 WeakPolarHBondContact O-CB 3.44Å; V411-S414 PolarHBondContact O-N 3.33Å; V411-S414 PolarHBondContact O-OG 2.81Å; T412-S414 VanDerWaalsContact C-N 3.26Å; T412-S414 PolarHBondContact O-N 3.49Å; S414-L417 PolarHBondContact O-N 2.93Å
415E79.8Confident71.9Confident32 Ų3244 Ų4415%0.1523%0.229CC..Hα-helixtrans-76.4-34.9179.4-71.4-57.7123.100112.5I27 T412 E413 L417 K418I27-E415 HydrophobicContact CG2-CG 3.19Å; I27-E415 VanDerWaalsContact CG2-OE1 3.28Å; I27-E415 WeakPolarHBondContact CG2-OE1 3.23Å; T412-E415 PolarHBondContact O-N 3.07Å; E413-E415 VanDerWaalsContact C-N 3.29Å; E413-E415 PolarHBondContact O-N 3.31Å; E415-L417 PolarHBondContact O-N 3.23Å; E415-L417 VanDerWaalsContact O-N 3.15Å; E415-K418 WeakPolarHBondContact O-CB 3.41Å; E415-K418 PolarHBondContact O-N 3.43Å
416R77.4Confident69Low82 Ų8252.2 Ų52.231%0.30927%0.273SS..Hα-helixtrans-61.1-24174.4-73.5-172.164142.45.3113.2E21 T412 E413 K418E21-R416 IonicContact OE1-CZ 3.22Å; E21-R416 IonicContact OE1-NH1 3.91Å; E21-R416 IonicContact OE1-NH2 2.77Å; E21-R416 PolarHBondContact OE1-NH2 2.98Å; T412-R416 PolarHBondContact O-N 3.5Å; E413-R416 PolarHBondContact O-N 3.33Å; E413-R416 WeakPolarHBondContact OE1-CD 3.44Å; R416-K418 VanDerWaalsContact C-N 3.29Å
417L77.4Confident65.9Low8 Ų856.9 Ų56.94%0.04231%0.306CS..THydrogen-bonded Turntrans-75.8-16.7174.8-63.4179.7000112Y196 K197 L202 E413 S414 E415 I419Y196-L417 CarbonylContact C-O 3.45Å; Y196-L417 WeakPolarHBondContact CA-O 3.24Å; Y196-L417 HydrophobicContact CD1-CB 4.05Å; K197-L417 HydrophobicContact CB-CD2 4.45Å; K197-L417 PolarHBondContact N-O 3.21Å; K197-L417 WeakPolarHBondContact O-CD2 3.24Å; L202-L417 HydrophobicContact CD2-CD2 3.98Å; E413-L417 PolarHBondContact O-N 3.42Å; S414-L417 PolarHBondContact O-N 2.93Å; E415-L417 PolarHBondContact O-N 3.23Å; E415-L417 VanDerWaalsContact O-N 3.15Å; L417-I419 PolarHBondContact O-N 2.99Å
418K76Confident63Low22 Ų2264.5 Ų64.510%0.09635%0.346CS..EExtended strand (participates in β ladder)trans-63.3128.8179.9-165.5173.7170.5-176.10110.4L11 D152 E155 T194 Y196 E415 R416L11-K418 HydrophobicContact CD1-CD 4.5Å; L11-K418 HydrophobicContact CD1-CG 4.32Å; L11-K418 HydrophobicContact CD2-CD 4.09Å; L11-K418 HydrophobicContact CD2-CG 4.25Å; L11-K418 HydrophobicContact CG-CD 4.49Å; D152-K418 IonicContact OD2-NZ 2.8Å; D152-K418 PolarHBondContact OD2-NZ 2.82Å; E155-K418 IonicContact OE1-NZ 3.2Å; E155-K418 PolarHBondContact OE1-NZ 3.3Å; E155-K418 IonicContact OE2-NZ 3.53Å; E155-K418 PolarHBondContact OE2-NZ 2.87Å; T194-K418 HydrophobicContact CG2-CD 3.97Å; T194-K418 HydrophobicContact CG2-CG 3.65Å; Y196-K418 HydrophobicContact CD1-CB 4.27Å; Y196-K418 HydrophobicContact CE1-CB 3.98Å; Y196-K418 HydrophobicContact CE1-CG 4.32Å; E415-K418 WeakPolarHBondContact O-CB 3.41Å; E415-K418 PolarHBondContact O-N 3.43Å; R416-K418 VanDerWaalsContact C-N 3.29Å
419I68.3Low59.8Low56 Ų5672.1 Ų72.129%0.28739%0.386SS..EExtended strand (participates in β ladder)trans-103134.9179.9-56.1170.8000109.6R195 K197 L417 S421 T455R195-I419 HydrophobicContact CB-CB 4.42Å; R195-I419 HydrophobicContact CB-CD1 4.36Å; R195-I419 PolarHBondContact O-N 3.33Å; K197-I419 HydrophobicContact CB-CD1 3.93Å; K197-I419 HydrophobicContact CB-CG1 3.95Å; L417-I419 PolarHBondContact O-N 2.99Å; I419-S421 PolarHBondContact O-N 3.43Å; I419-T455 HydrophobicContact CD1-CG2 4.45Å
420A57.4Low56.6Low39 Ų3977.4 Ų77.432%0.32242%0.419SS..PPolyproline II helixtrans-62.9119.6166.800000111.6L11 T422L11-A420 HydrophobicContact CD1-CB 4.43Å; A420-T422 VanDerWaalsContact C-N 3.34Å; A420-T422 PolarHBondContact O-N 3.47Å
421S49.7Very low53.3Low63 Ų6383.8 Ų83.844%0.44146%0.458SS..  trans-65.990.2174.9-169.10000109.9I419 K423I419-S421 PolarHBondContact O-N 3.43Å; S421-K423 VanDerWaalsContact C-N 3.29Å; S421-K423 PolarHBondContact O-N 3.05Å
422T35.5Very low50.1Low132 Ų13289.9 Ų89.981%0.8150%0.495SS*.  trans-89.619.8-178.940.90000113.5A420A420-T422 VanDerWaalsContact C-N 3.34Å; A420-T422 PolarHBondContact O-N 3.47Å
423K32.3Very low47.2Very low168 Ų16894.9 Ų94.973%0.7353%0.53SS*.  trans-130.373.9178.9-75.1-172.3178.7179.90113S421S421-K423 VanDerWaalsContact C-N 3.29Å; S421-K423 PolarHBondContact O-N 3.05Å
424Y30.8Very low44.9Very low192 Ų192100.3 Ų100.375%0.75357%0.566SS**SBendtrans-138.5108.3137.7-78.3-75.8000107.4N426Y424-N426 PolarHBondContact O-N 3.08Å
425S26.5Very low42.3Very low116 Ų116110.5 Ų110.581%0.81161%0.605SS**  trans-53.1130.5177.5-47.40000110S427S425-S427 PolarHBondContact O-N 3.17Å
426N27.2Very low39.6Very low173 Ų173113.8 Ų113.893%0.92563%0.632SS**  trans-45.399.2168.3-65.4-23.3000110.3Y424Y424-N426 PolarHBondContact O-N 3.08Å
427S28.1Very low37.2Very low98 Ų98119.2 Ų119.269%0.68566%0.658SS**  trans-130126.5162.1173.30000104.4S425S425-S427 PolarHBondContact O-N 3.17Å
428L29.1Very low34.7Very low165 Ų165124.7 Ų124.786%0.86469%0.688SS**SBendtrans85.577.4-165.1-52.7147.5000111.9
429L25.5Very low32.3Very low160 Ų160130.6 Ų130.684%0.83872%0.72SS**  -162.6122.5127.7-95.3158.6000109.1
430T25.4Very low30.2Very low112 Ų112134.5 Ų134.569%0.68775%0.751SS**  trans6791.4151.457.40000119.1T432T430-T432 PolarHBondContact O-N 3.4Å
431T24.1Very low28.7Very low135 Ų135137.6 Ų137.683%0.82877%0.77SS**  -13.4113.7122.846.70000114.2
432T23.9Very low27.6Very low129 Ų129141.9 Ų141.979%0.79179%0.788SS**  trans-176117.913524.40000112.6T430T430-T432 PolarHBondContact O-N 3.4Å
433S27.3Very low27.1Very low107 Ų107141.5 Ų141.575%0.74879%0.786SS**  trans81.5138.7149.783.20000120.7
434P41Very low27.3Very low116 Ų116139.1 Ų139.175%0.75379%0.788SS**  trans-101.1125.5-170.936-23.7000111.4
435Y25.3Very low27.2Very low215 Ų215138.5 Ų138.584%0.84379%0.792SS**  trans-134.3113.7159.4-88.9-83.7000109.9F437Y435-F437 PolarHBondContact O-N 2.67Å
436S23.8Very low27.2Very low101 Ų101139.5 Ų139.571%0.70679%0.788SS**  trans-63.8118.3169.7-1800000109.6
437F26.1Very low27.2Very low196 Ų196139.6 Ų139.686%0.8678%0.783SS**  trans-125.396.5155.8-102.4-85.5000107.7Y435Y435-F437 PolarHBondContact O-N 2.67Å
438N24.7Very low27.2Very low124 Ų124142.8 Ų142.866%0.66379%0.791SS**  trans-64.3153.1155-89.2-14000109.3
439D25.4Very low27Very low146 Ų146140.9 Ų140.978%0.78179%0.786SS**  trans70.387.3158.5-58.7-28.8000118.2
440C25.9Very low27.1Very low138 Ų138142 Ų14293%0.93278%0.784SS**  trans-134.7106.8130.5-97.60000110
441S24.5Very low27.2Very low104 Ų104141.5 Ų141.573%0.72779%0.785SS**  trans-60.4134.9173.833.70000113.5
442N28.2Very low27.3Very low152 Ų152141.3 Ų141.381%0.81378%0.78SS**  trans37.296.8136.5-62-26000119.1
443T25Very low27.3Very low124 Ų124140.5 Ų140.576%0.76177%0.774SS**  trans-129.7115.3137.6310000109.8Q445T443-Q445 PolarHBondContact O-N 3Å; T443-Q445 VanDerWaalsContact O-N 3.16Å
444P34.9Very low27.3Very low119 Ų119141.3 Ų141.377%0.77378%0.777SS**  trans-82.194.4177.431.6-28.8000108.7N446P444-N446 PolarHBondContact O-N 3.34Å
445Q28.8Very low26.7Very low178 Ų178139.3 Ų139.383%0.83276%0.763SS**  trans-9288.8171-98.2169-26.300110.5T443T443-Q445 PolarHBondContact O-N 3Å; T443-Q445 VanDerWaalsContact O-N 3.16Å
446N26.8Very low26.9Very low137 Ų137132.5 Ų132.573%0.73374%0.744SS**  trans26.8100.5140.1-71.2-28.6000117.1P444 L448P444-N446 PolarHBondContact O-N 3.34Å; N446-L448 PolarHBondContact O-N 3.44Å
447H27.8Very low27.2Very low176 Ų176132.7 Ų132.782%0.81574%0.737SS**  trans21.366.6134.7-64.4-75.9000117T449H447-T449 PolarHBondContact O-N 2.93Å
448L27.5Very low27.3Very low165 Ų165125.9 Ų125.986%0.86472%0.722SS**  trans-7091.9146.1-92151.6000106.2N446 K450N446-L448 PolarHBondContact O-N 3.44Å; L448-K450 PolarHBondContact O-N 3.45Å
449T25.4Very low27.9Very low124 Ų124124 Ų12476%0.76171%0.705SS**  trans-56.290.5164.9420000107.6H447 S451H447-T449 PolarHBondContact O-N 2.93Å; T449-S451 VanDerWaalsContact C-N 3.35Å; T449-S451 PolarHBondContact O-N 2.89Å
450K27.2Very low28.6Very low183 Ų183118.7 Ų118.780%0.79668%0.678SS**  trans-52.9103.8165.6-79.8178.1176.6174.10106.2L448 N452L448-K450 PolarHBondContact O-N 3.45Å; K450-N452 PolarHBondContact O-N 2.63Å
451S26.7Very low29.3Very low102 Ų102114.1 Ų114.171%0.71365%0.647SS**  trans-62.597.3166.164.30000105.7T449 T453T449-S451 VanDerWaalsContact C-N 3.35Å; T449-S451 PolarHBondContact O-N 2.89Å; S451-T453 PolarHBondContact O-N 3.32Å; S451-T453 PolarHBondContact O-OG1 3Å
452N26.8Very low30.4Very low132 Ų132114.7 Ų114.771%0.70664%0.637SS**  trans-66.281.4167.1-71.6-30.9000106.6K450 P454K450-N452 PolarHBondContact O-N 2.63Å; N452-P454 VanDerWaalsContact O-CD 3.29Å; N452-P454 WeakPolarHBondContact O-CD 3.5Å; N452-P454 VanDerWaalsContact O-N 3.17Å
453T24.8Very low31.3Very low111 Ų111108.6 Ų108.668%0.68160%0.604SS**  trans-61.7116.2166-12.30000105.3S451 T455S451-T453 PolarHBondContact O-N 3.32Å; S451-T453 PolarHBondContact O-OG1 3Å; T453-T455 PolarHBondContact O-N 3.17Å
454P26.3Very low32.3Very low124 Ų124103.5 Ų103.581%0.80557%0.572SS**  trans-66.8104.3-177-5.819000107.3N452N452-P454 VanDerWaalsContact O-CD 3.29Å; N452-P454 WeakPolarHBondContact O-CD 3.5Å; N452-P454 VanDerWaalsContact O-N 3.17Å
455T27.9Very low32.9Very low74 Ų74103.5 Ų103.545%0.45456%0.561SS.*  trans-70.9129.9168.936.70000107.4R195 I419 T453R195-T455 PolarHBondContact NH1-OG1 3.2Å; I419-T455 HydrophobicContact CD1-CG2 4.45Å; T453-T455 PolarHBondContact O-N 3.17Å
456T29.7Very low33.6Very low72 Ų7297.9 Ų97.944%0.44254%0.536SS..SBendtrans59.989.4166.452.60000116.9R195R195-T456 HydrophobicContact CB-CG2 3.81Å; R195-T456 HydrophobicContact CG-CG2 3.74Å
457D31Very low34.4Very low106 Ų10691.9 Ų91.957%0.56750%0.504SS*.SBendtrans173.8-1.5133.6-107.9-14.4000114.7C461D457-C461 PolarHBondContact O-SG 3.47Å
458G29.1Very low35.2Very low52 Ų5287.5 Ų87.554%0.53648%0.484SS..SBendtrans-82.3-31.5-164.300000118.4
459R36Very low35.7Very low86 Ų8680.3 Ų80.333%0.32545%0.448SS..SBendtrans-123-23.9-165.6-65.4-149.2-169.4131.1-15.6117.5E198 C461 K462 L463E198-R459 WeakPolarHBondContact OE1-CD 3.34Å; E198-R459 WeakPolarHBondContact OE1-CG 3.18Å; E198-R459 IonicContact OE1-CZ 2.9Å; E198-R459 IonicContact OE1-NE 2.82Å; E198-R459 IonicContact OE1-NH1 3.86Å; E198-R459 PolarHBondContact OE1-NH1 2.84Å; R459-C461 PolarHBondContact O-N 3.39Å; R459-K462 HydrophobicContact CG-CD 4.32Å; R459-K462 WeakPolarHBondContact O-CA 2.96Å; R459-K462 WeakPolarHBondContact O-CB 3.31Å; R459-K462 PolarHBondContact O-N 2.88Å; R459-L463 PolarHBondContact O-N 3.21Å
460T40.2Very low36.2Very low34 Ų3479.6 Ų79.621%0.20945%0.445CS..Hα-helixtrans-53.9-37.3158.932.20000109.8K462 L463 L464T460-K462 VanDerWaalsContact C-N 3.28Å; T460-K462 PolarHBondContact O-N 3.16Å; T460-L463 PolarHBondContact O-N 2.88Å; T460-L464 WeakPolarHBondContact O-CB 3.43Å; T460-L464 PolarHBondContact O-N 2.87Å
461C41.2Very low36.5Very low42 Ų4275.9 Ų75.928%0.28444%0.442SS..Hα-helixtrans-56-33.7169.3-70.10000114.1D457 R459 Q465D457-C461 PolarHBondContact O-SG 3.47Å; R459-C461 PolarHBondContact O-N 3.39Å; C461-Q465 VanDerWaalsContact O-CB 3.3Å; C461-Q465 WeakPolarHBondContact O-CB 3.27Å; C461-Q465 WeakPolarHBondContact O-CG 3.33Å; C461-Q465 PolarHBondContact O-N 3.09Å
462K48.1Very low36.6Very low115 Ų11576 Ų7650%0.544%0.439SS..Hα-helixtrans-74.4-40.7176.4-70-173.4-179.1-177.30112.7R459 T460 L464 Q465 M466R459-K462 HydrophobicContact CG-CD 4.32Å; R459-K462 WeakPolarHBondContact O-CA 2.96Å; R459-K462 WeakPolarHBondContact O-CB 3.31Å; R459-K462 PolarHBondContact O-N 2.88Å; T460-K462 VanDerWaalsContact C-N 3.28Å; T460-K462 PolarHBondContact O-N 3.16Å; K462-L464 VanDerWaalsContact C-N 3.31Å; K462-Q465 PolarHBondContact O-N 2.78Å; K462-M466 PolarHBondContact O-N 3.29Å; K462-M466 VanDerWaalsContact O-N 3.14Å
463L45.2Very low36.6Very low24 Ų2474.9 Ų74.913%0.12644%0.439CS..Hα-helixtrans-60.3-47.8172.4-69.4173.7000109.4L222 R459 T460 Q465 M466 F467L222-L463 HydrophobicContact CB-CD2 4.19Å; L222-L463 HydrophobicContact CD2-CB 4.03Å; L222-L463 HydrophobicContact CD2-CD2 3.7Å; L222-L463 HydrophobicContact CD2-CG 4.49Å; L222-L463 WeakPolarHBondContact CD2-O 3.3Å; L222-L463 HydrophobicContact CG-CD2 3.64Å; R459-L463 PolarHBondContact O-N 3.21Å; T460-L463 PolarHBondContact O-N 2.88Å; L463-Q465 PolarHBondContact O-N 2.95Å; L463-M466 PolarHBondContact O-N 3.27Å; L463-F467 VanDerWaalsContact O-CD2 3.28Å; L463-F467 WeakPolarHBondContact O-CD2 3.39Å; L463-F467 PolarHBondContact O-N 2.87Å
464L47.2Very low37Very low17 Ų1777 Ų779%0.08944%0.444CS..Hα-helixtrans-57.8-47.6175.2-169.775.3000111.5Q58 L59 T460 K462 M466 F467 M468Q58-L464 HydrophobicContact CB-CD1 3.53Å; Q58-L464 HydrophobicContact CB-CD2 4.17Å; Q58-L464 HydrophobicContact CB-CG 4.49Å; Q58-L464 HydrophobicContact CG-CD2 4.48Å; Q58-L464 VanDerWaalsContact OE1-CD2 3.25Å; L59-L464 HydrophobicContact CD2-CD1 4.31Å; L59-L464 HydrophobicContact CG-CD1 4.43Å; T460-L464 WeakPolarHBondContact O-CB 3.43Å; T460-L464 PolarHBondContact O-N 2.87Å; K462-L464 VanDerWaalsContact C-N 3.31Å; L464-M466 VanDerWaalsContact C-N 3.28Å; L464-M466 PolarHBondContact O-N 3.15Å; L464-F467 CarbonylContact O-C 3.37Å; L464-F467 WeakPolarHBondContact O-CA 3.35Å; L464-F467 WeakPolarHBondContact O-CB 3.29Å; L464-F467 PolarHBondContact O-N 2.87Å; L464-M468 HydrophobicContact CD2-CG 4.29Å; L464-M468 HydrophobicContact CD2-SD 3.85Å; L464-M468 HydrophobicContact CG-CG 3.76Å; L464-M468 HydrophobicContact CG-SD 3.98Å; L464-M468 WeakPolarHBondContact O-CG 3.36Å; L464-M468 PolarHBondContact O-N 2.93Å
465Q47.7Very low37.1Very low119 Ų11976.7 Ų76.756%0.55644%0.44SS*.Hα-helixtrans-53.5-43.2178.6-83.7169.517.500112.1C461 K462 L463 F467 M468 S469C461-Q465 VanDerWaalsContact O-CB 3.3Å; C461-Q465 WeakPolarHBondContact O-CB 3.27Å; C461-Q465 WeakPolarHBondContact O-CG 3.33Å; C461-Q465 PolarHBondContact O-N 3.09Å; K462-Q465 PolarHBondContact O-N 2.78Å; L463-Q465 PolarHBondContact O-N 2.95Å; Q465-F467 VanDerWaalsContact C-N 3.28Å; Q465-F467 PolarHBondContact O-N 3.46Å; Q465-M468 CarbonylContact O-C 3.57Å; Q465-M468 WeakPolarHBondContact O-CA 3.42Å; Q465-M468 PolarHBondContact O-N 3.39Å; Q465-S469 PolarHBondContact O-N 3.04Å; Q465-S469 PolarHBondContact O-OG 2.87Å
466M43.8Very low37.1Very low61 Ų6182 Ų8230%0.346%0.457SS..Hα-helixtrans-63.7-33.2176-72.8-170174.300112.9L222 F237 K462 L463 L464 S469L222-M466 HydrophobicContact CD1-CB 3.96Å; L222-M466 HydrophobicContact CD1-CG 4.37Å; L222-M466 HydrophobicContact CD1-SD 3.47Å; L222-M466 WeakPolarHBondContact CD1-SD 3.2Å; L222-M466 HydrophobicContact CD2-CB 4.13Å; L222-M466 HydrophobicContact CG-SD 4.29Å; F237-M466 HydrophobicContact CD1-CB 4.41Å; K462-M466 PolarHBondContact O-N 3.29Å; K462-M466 VanDerWaalsContact O-N 3.14Å; L463-M466 PolarHBondContact O-N 3.27Å; L464-M466 VanDerWaalsContact C-N 3.28Å; L464-M466 PolarHBondContact O-N 3.15Å; M466-S469 PolarHBondContact O-OG 3.14Å
467F42.9Very low37.1Very low11 Ų1188.6 Ų88.65%0.04848%0.479CS..Hα-helixtrans-73.9-27.6169-73.1-78.5000112.9L59 R62 L219 L222 F237 R241 L463 L464 Q465L59-F467 HydrophobicContact CD1-CD2 4.16Å; L59-F467 HydrophobicContact CD1-CE1 4.45Å; L59-F467 HydrophobicContact CD1-CE2 4.03Å; L59-F467 HydrophobicContact CD1-CG 4.45Å; L59-F467 HydrophobicContact CD1-CZ 4.19Å; L59-F467 HydrophobicContact CD2-CB 3.41Å; L59-F467 VanDerWaalsContact CD2-CB 3.41Å; L59-F467 HydrophobicContact CD2-CD1 3.81Å; L59-F467 HydrophobicContact CD2-CD2 3.76Å; L59-F467 HydrophobicContact CD2-CE1 4.46Å; L59-F467 HydrophobicContact CD2-CE2 4.41Å; L59-F467 HydrophobicContact CD2-CG 3.42Å; L59-F467 VanDerWaalsContact CD2-CG 3.42Å; L59-F467 HydrophobicContact CG-CD2 4.49Å; R62-F467 PolarHBondContact NH1-O 3.47Å; L219-F467 HydrophobicContact CD2-CE2 3.81Å; L219-F467 HydrophobicContact CD2-CZ 4.06Å; L222-F467 HydrophobicContact CD2-CD2 3.58Å; L222-F467 HydrophobicContact CD2-CE2 3.25Å; L222-F467 HydrophobicContact CD2-CZ 3.99Å; F237-F467 AromaticContact CE1-CD1 3.94Å; F237-F467 HydrophobicContact CE1-CD1 3.94Å; F237-F467 HydrophobicContact CE1-CE1 4Å; F237-F467 HydrophobicContact CE1-CG 4.39Å; F237-F467 HydrophobicContact CZ-CD1 4.3Å; F237-F467 AromaticContact CZ-CE1 3.87Å; F237-F467 HydrophobicContact CZ-CE1 3.87Å; F237-F467 HydrophobicContact CZ-CZ 4.15Å; R241-F467 PolarHBondContact NH1-O 3.31Å; L463-F467 VanDerWaalsContact O-CD2 3.28Å; L463-F467 WeakPolarHBondContact O-CD2 3.39Å; L463-F467 PolarHBondContact O-N 2.87Å; L464-F467 CarbonylContact O-C 3.37Å; L464-F467 WeakPolarHBondContact O-CA 3.35Å; L464-F467 WeakPolarHBondContact O-CB 3.29Å; L464-F467 PolarHBondContact O-N 2.87Å; Q465-F467 VanDerWaalsContact C-N 3.28Å; Q465-F467 PolarHBondContact O-N 3.46Å
468M44.5Very low37Very low83 Ų8390.1 Ų90.141%0.40949%0.487SS..Hα-helixtrans-83.2-19.4-174.6-57.3-133.388.600114.9R62 L464 Q465R62-M468 HydrophobicContact CB-CE 4.34Å; R62-M468 VanDerWaalsContact CD-CE 3.5Å; R62-M468 HydrophobicContact CG-CE 3.86Å; L464-M468 HydrophobicContact CD2-CG 4.29Å; L464-M468 HydrophobicContact CD2-SD 3.85Å; L464-M468 HydrophobicContact CG-CG 3.76Å; L464-M468 HydrophobicContact CG-SD 3.98Å; L464-M468 WeakPolarHBondContact O-CG 3.36Å; L464-M468 PolarHBondContact O-N 2.93Å; Q465-M468 CarbonylContact O-C 3.57Å; Q465-M468 WeakPolarHBondContact O-CA 3.42Å; Q465-M468 PolarHBondContact O-N 3.39Å
469S37.6Very low37Very low15 Ų1591.7 Ų91.711%0.10549%0.49CS..  trans-28.6116.3175.6-45.30000113.6E234 Q465 M466 S471E234-S469 WeakPolarHBondContact CG-OG 3.03Å; E234-S469 WeakPolarHBondContact OE1-CA 3.45Å; E234-S469 WeakPolarHBondContact OE1-CB 3.34Å; E234-S469 PolarHBondContact OE1-OG 2.99Å; Q465-S469 PolarHBondContact O-N 3.04Å; Q465-S469 PolarHBondContact O-OG 2.87Å; M466-S469 PolarHBondContact O-OG 3.14Å; S469-S471 PolarHBondContact O-N 3.22Å
470P36.3Very low36.9Very low108 Ų10893.7 Ų93.770%0.70151%0.514SS*.  trans-59138.6-174.3-22.131.2000111.5T472P470-T472 PolarHBondContact O-N 3.01Å
471S33.8Very low36.3Very low105 Ų105100.5 Ų100.573%0.73454%0.541SS*.  trans-5799.7170-630000108.5S469 P473S469-S471 PolarHBondContact O-N 3.22Å; S471-P473 WeakPolarHBondContact O-CD 3.47Å; S471-P473 VanDerWaalsContact O-N 3.14Å
472T28.3Very low35.7Very low104 Ų104105.8 Ų105.864%0.63857%0.565SS**  trans-59.2121.7174.6-23.30000106.9P470 I474P470-T472 PolarHBondContact O-N 3.01Å; T472-I474 PolarHBondContact O-N 3.35Å
473P27.6Very low34.8Very low110 Ų110106.3 Ų106.371%0.71458%0.581SS**  trans-59.3139-178.11.5-0.7000109.6S471 V475S471-P473 WeakPolarHBondContact O-CD 3.47Å; S471-P473 VanDerWaalsContact O-N 3.14Å; P473-V475 PolarHBondContact O-N 3.34Å
474I31.7Very low33.9Very low154 Ų154111.2 Ų111.279%0.7961%0.608SS**  trans-59.1102178.5-60.3164.5000107.5T472 K476T472-I474 PolarHBondContact O-N 3.35Å; I474-K476 PolarHBondContact O-N 2.99Å
475V28.7Very low33Very low119 Ų119118.3 Ų118.372%0.72164%0.64SS**  trans-67.4104.1162.9179.20000105.4P473 K477 L478P473-V475 PolarHBondContact O-N 3.34Å; V475-K477 PolarHBondContact O-N 3.43Å; V475-L478 HydrophobicContact CG1-CD1 4.38Å
476K29.4Very low32.2Very low184 Ų184120.5 Ų120.580%0.865%0.654SS**  trans-52.8124.2172.9-75.9-179.6175.4179.40108.1I474 L478I474-K476 PolarHBondContact O-N 2.99Å; K476-L478 PolarHBondContact O-N 3.43Å; K476-L478 VanDerWaalsContact O-N 3.14Å
477K28.8Very low31.4Very low211 Ų211122.7 Ų122.792%0.91768%0.675SS**  trans-6.899.3170.4-72-179.6172.9-176.50113.5V475V475-K477 PolarHBondContact O-N 3.43Å
478L29.6Very low30.9Very low139 Ų139127.8 Ų127.873%0.72871%0.709SS**  trans-90127.9155.8-83.3158.2000107.4V475 K476V475-L478 HydrophobicContact CG1-CD1 4.38Å; K476-L478 PolarHBondContact O-N 3.43Å; K476-L478 VanDerWaalsContact O-N 3.14Å
479S28.1Very low30.1Very low84 Ų84132.9 Ų132.959%0.58773%0.732SS**  trans-47.2155.9178.844.60000113.7F481S479-F481 PolarHBondContact O-N 3.14Å
480P33.8Very low29.8Very low128 Ų128138.2 Ų138.283%0.83176%0.758SS**  trans-67.1108.8-163.427.5-33.2000110.6
481F28.8Very low29.3Very low178 Ų178141.6 Ų141.678%0.78177%0.765SS**  trans-77.9121166.5-89.8-87.7000108.8S479 C483S479-F481 PolarHBondContact O-N 3.14Å; F481-C483 PolarHBondContact O-N 3.17Å; F481-C483 VanDerWaalsContact O-N 3.11Å
482I29Very low29Very low153 Ų153144.2 Ų144.279%0.78577%0.767SS**  trans-61.9104.8169.5-61.9167.7000106.7D484I482-D484 PolarHBondContact O-N 3.08Å
483C28.2Very low29.1Very low125 Ų125144.8 Ų144.885%0.84577%0.766SS**  trans-84.288.9174.9-99.70000109.2F481F481-C483 PolarHBondContact O-N 3.17Å; F481-C483 VanDerWaalsContact O-N 3.11Å
484D27Very low29.2Very low128 Ų128147.1 Ų147.168%0.68477%0.773SS**  trans-88.2148.7152.1-81.5-37.9000109.6I482I482-D484 PolarHBondContact O-N 3.08Å
485H28.7Very low29.1Very low166 Ų166148.3 Ų148.377%0.76978%0.775SS**SBendtrans96.276.9176.5-55-66.6000117.7S487H485-S487 PolarHBondContact O-N 3.11Å
486I28.8Very low29.2Very low164 Ų164149 Ų14984%0.84178%0.775SS**  35.389.8116.9-48.1170.7000114.6
487S28.2Very low29.2Very low107 Ų107149.1 Ų149.175%0.74878%0.775SS**  trans-92.9148.5155.6-77.10000109.8H485 Q489H485-S487 PolarHBondContact O-N 3.11Å; S487-Q489 PolarHBondContact O-N 2.64Å
488P31.7Very low29.3Very low118 Ų118148.7 Ų148.777%0.76677%0.774SS**  trans-68.6134.2-160.427.7-33.6000111.4I490P488-I490 PolarHBondContact O-N 2.81Å
489Q28.3Very low29.2Very low191 Ų191147.1 Ų147.189%0.89377%0.772SS**  trans-50.9105.9179.8-70169.8-27.100110.6S487 Q491S487-Q489 PolarHBondContact O-N 2.64Å; Q489-Q491 PolarHBondContact O-N 2.83Å; Q489-Q491 VanDerWaalsContact O-N 3.12Å
490I30.3Very low29.2Very low126 Ų126148.3 Ų148.365%0.64678%0.78SS**  trans-60.4112.9156.4-64172.2000104.8P488 M492P488-I490 PolarHBondContact O-N 2.81Å; I490-M492 PolarHBondContact O-N 3.26Å
491Q27Very low29Very low180 Ų180149.5 Ų149.584%0.84178%0.778SS**  trans-52.8109.6178.7-91.9176.7-1500109.3Q489Q489-Q491 PolarHBondContact O-N 2.83Å; Q489-Q491 VanDerWaalsContact O-N 3.12Å
492M27.7Very low28.8Very low160 Ų160146.1 Ų146.179%0.78877%0.774SS**  trans-72.1138.4171.2-67.4-85.3-160.600108I490 D494I490-M492 PolarHBondContact O-N 3.26Å; M492-D494 PolarHBondContact O-N 3.16Å
493N29.9Very low28.7Very low115 Ų115148.5 Ų148.562%0.61578%0.778SS**  trans-63.6109.2159.3-91.2-6.4000107.5E495N493-E495 PolarHBondContact O-N 3.25Å
494D30.4Very low28.6Very low159 Ų159152.2 Ų152.285%0.8578%0.775SS**THydrogen-bonded Turntrans-73.629.3-175-119.8-11.6000113.9M492M492-D494 PolarHBondContact O-N 3.16Å
495E29.3Very low28.6Very low180 Ų180150 Ų15084%0.84177%0.766SS**THydrogen-bonded Turntrans-115.913.8175-70-153.4149.100114N493 K497N493-E495 PolarHBondContact O-N 3.25Å; E495-K497 PolarHBondContact O-N 3.49Å; E495-K497 VanDerWaalsContact O-N 3.07Å
496N31.1Very low28.9Very low133 Ų133148.6 Ų148.671%0.71177%0.769SS**  trans-82.944.3165.2-71.5-28.1000111.9F498N496-F498 VanDerWaalsContact C-N 3.3Å; N496-F498 PolarHBondContact O-N 3.47Å
497K28.4Very low28.8Very low187 Ų187145.8 Ų145.881%0.81375%0.754SS**SBendtrans-54.6107.6149.2-86.3-179.3178.7173.40104.6E495 P499E495-K497 PolarHBondContact O-N 3.49Å; E495-K497 VanDerWaalsContact O-N 3.07Å; K497-P499 WeakPolarHBondContact O-CD 3.35Å
498F31.8Very low28.9Very low202 Ų202144.3 Ų144.389%0.88674%0.743SS**  trans-36.6105.4179.4-71.9-85.1000108.4N496 S500N496-F498 VanDerWaalsContact C-N 3.3Å; N496-F498 PolarHBondContact O-N 3.47Å; F498-S500 PolarHBondContact O-N 3Å; F498-S500 VanDerWaalsContact O-N 3.07Å
499P27.5Very low28.9Very low106 Ų106145 Ų14569%0.68874%0.736SS**  trans-61.7126.2-178.321.3-28.9000105.2K497 I501K497-P499 WeakPolarHBondContact O-CD 3.35Å; P499-I501 PolarHBondContact O-N 2.95Å; P499-I501 VanDerWaalsContact O-N 3.11Å
500S26.3Very low29Very low109 Ų109138.7 Ų138.776%0.76270%0.704SS**  trans-40.6124173.752.60000108.1F498F498-S500 PolarHBondContact O-N 3Å; F498-S500 VanDerWaalsContact O-N 3.07Å
501I29.8Very low28.9Very low152 Ų152138.3 Ų138.378%0.77970%0.7SS**  trans-26.1113.1179.6-62.7162000108.7P499 K503P499-I501 PolarHBondContact O-N 2.95Å; P499-I501 VanDerWaalsContact O-N 3.11Å; I501-K503 PolarHBondContact O-N 3.12Å
502P26Very low29.3Very low108 Ų108134 Ų13470%0.70169%0.689SS**  trans-55.7118.5173.120.7-28.4000105.8R504P502-R504 VanDerWaalsContact C-N 3.35Å; P502-R504 PolarHBondContact O-N 2.99Å
503K27Very low29.6Very low202 Ų202129.4 Ų129.488%0.87867%0.668SS**  trans-49.6106.4174.6-75.8-179.2176.6-179.60105.8I501 T505I501-K503 PolarHBondContact O-N 3.12Å; K503-T505 PolarHBondContact O-N 2.95Å; K503-T505 VanDerWaalsContact O-N 3.08Å
504R25.1Very low29.6Very low203 Ų203128.5 Ų128.577%0.76666%0.663SS**  trans-59.9117.4172.4-90.7-177.3171176.9-3.6105.6P502 V506P502-R504 VanDerWaalsContact C-N 3.35Å; P502-R504 PolarHBondContact O-N 2.99Å; R504-V506 PolarHBondContact O-N 3.08Å
505T26.8Very low29.6Very low82 Ų82127.2 Ų127.250%0.50365%0.651SS.*  trans-51.3127.8161.3-28.80000105.7K503 M507 S508K503-T505 PolarHBondContact O-N 2.95Å; K503-T505 VanDerWaalsContact O-N 3.08Å; T505-M507 PolarHBondContact O-N 3.07Å; T505-S508 PolarHBondContact O-N 3.06Å
506V34.7Very low29.8Very low136 Ų136125 Ų12582%0.82464%0.636SS**THydrogen-bonded Turntrans-604.5-169.8171.30000113.3R504R504-V506 PolarHBondContact O-N 3.08Å
507M28.3Very low29.7Very low106 Ų106122.5 Ų122.552%0.52263%0.625SS.*THydrogen-bonded Turntrans-132.937.6-170.6-62.3-98.7112.500111.8T505 H509T505-M507 PolarHBondContact O-N 3.07Å; M507-H509 WeakPolarHBondContact CE-NE2 3.08Å; M507-H509 PolarHBondContact O-N 3.23Å; M507-H509 PolarHBondContact SD-CD2 3.5Å; M507-H509 PolarHBondContact SD-NE2 2.76Å
508S28.8Very low29.7Very low76 Ų76118.2 Ų118.253%0.53162%0.618SS.*  trans-69.470.815771.30000108.5T505 Y510T505-S508 PolarHBondContact O-N 3.06Å; S508-Y510 PolarHBondContact O-N 3.2Å
509H31.4Very low29.6Very low132 Ų132111.5 Ų111.561%0.61161%0.606SS**  trans-689.8177.4-90.7-74.7000113.1M507 Q511M507-H509 WeakPolarHBondContact CE-NE2 3.08Å; M507-H509 PolarHBondContact O-N 3.23Å; M507-H509 PolarHBondContact SD-CD2 3.5Å; M507-H509 PolarHBondContact SD-NE2 2.76Å; H509-Q511 PolarHBondContact O-N 3.35Å
510Y32.3Very low29.7Very low58 Ų58115 Ų11523%0.22761%0.613CS.*  trans-85.183.8-179.9-56.8-82.4000109.5V301 T396 S508 S512V301-Y510 HydrophobicContact CB-CE2 4.15Å; V301-Y510 HydrophobicContact CG1-CD2 4.48Å; V301-Y510 HydrophobicContact CG1-CE2 3.78Å; V301-Y510 HydrophobicContact CG2-CD2 4.01Å; V301-Y510 HydrophobicContact CG2-CE1 4.03Å; V301-Y510 HydrophobicContact CG2-CE2 3.38Å; T396-Y510 HydrophobicContact CG2-CE1 3.38Å; T396-Y510 WeakPolarHBondContact CG2-OH 3.42Å; S508-Y510 PolarHBondContact O-N 3.2Å; Y510-S512 PolarHBondContact O-N 3.4Å
511Q27.1Very low29.7Very low119 Ų119115 Ų11556%0.55661%0.612SS**  trans-57.499.6144.9-82.1174.5-28.300106.6H509 N513 L514H509-Q511 PolarHBondContact O-N 3.35Å; Q511-N513 PolarHBondContact O-N 3.3Å; Q511-L514 HydrophobicContact CB-CB 4.23Å; Q511-L514 HydrophobicContact CB-CD1 4.05Å; Q511-L514 HydrophobicContact CG-CD1 3.81Å
512S35Very low29.5Very low88 Ų88111.2 Ų111.262%0.61560%0.599SS**THydrogen-bonded Turntrans-54.7107.2169.759.30000107.8Y510 L514Y510-S512 PolarHBondContact O-N 3.4Å; S512-L514 VanDerWaalsContact C-N 3.33Å; S512-L514 PolarHBondContact O-N 3.39Å
513N34.3Very low29.4Very low64 Ų64111.7 Ų111.734%0.34260%0.602SS.*THydrogen-bonded Turntrans47.143.6162.6-58.5-26.5000115.8Q511 E515Q511-N513 PolarHBondContact O-N 3.3Å; N513-E515 PolarHBondContact O-N 2.94Å; N513-E515 VanDerWaalsContact O-N 3.12Å
514L31.1Very low29.3Very low96 Ų96110 Ų11050%0.50360%0.602SS.*G310 helixtrans-81.327-176.8-108.3158.6000115Q511 S512 W516 V517Q511-L514 HydrophobicContact CB-CB 4.23Å; Q511-L514 HydrophobicContact CB-CD1 4.05Å; Q511-L514 HydrophobicContact CG-CD1 3.81Å; S512-L514 VanDerWaalsContact C-N 3.33Å; S512-L514 PolarHBondContact O-N 3.39Å; L514-W516 PolarHBondContact O-N 2.73Å; L514-W516 VanDerWaalsContact O-N 3.14Å; L514-V517 HydrophobicContact CD2-CG2 3.87Å
515E28.6Very low29.3Very low132 Ų132105.3 Ų105.362%0.61760%0.596SS**G310 helixtrans-69.64.3161.6-80.8-172.8163.900112.5R389 N513 V517R389-E515 IonicContact CZ-OE1 3.9Å; R389-E515 IonicContact NH1-OE1 3.94Å; R389-E515 PolarHBondContact NH1-OE1 3.1Å; R389-E515 IonicContact NH2-OE1 2.63Å; N513-E515 PolarHBondContact O-N 2.94Å; N513-E515 VanDerWaalsContact O-N 3.12Å; E515-V517 VanDerWaalsContact C-N 3.31Å; E515-V517 PolarHBondContact O-N 3.05Å
516W34.9Very low29.1Very low135 Ų135106.6 Ų106.651%0.51161%0.608SS.*G310 helixtrans-79.75.1177.9-67.2105000116.2K216 L514K216-W516 HydrophobicContact CD-CH2 4.07Å; K216-W516 HydrophobicContact CD-CZ2 3.67Å; K216-W516 VanDerWaalsContact NZ-CH2 3.29Å; L514-W516 PolarHBondContact O-N 2.73Å; L514-W516 VanDerWaalsContact O-N 3.14Å
517V28.3Very low28.7Very low79 Ų79109.8 Ų109.848%0.47961%0.606SS.*  trans-106.558.1171.5-163.30000110.3L514 E515 G519L514-V517 HydrophobicContact CD2-CG2 3.87Å; E515-V517 VanDerWaalsContact C-N 3.31Å; E515-V517 PolarHBondContact O-N 3.05Å; V517-G519 PolarHBondContact O-N 3.18Å
518S28.2Very low28.6Very low97 Ų97108.7 Ų108.768%0.67861%0.614SS**SBendtrans-69.887.9154.630.30000108H520S518-H520 VanDerWaalsContact C-N 3.27Å; S518-H520 PolarHBondContact O-N 3.12Å
519G30.9Very low28.4Very low62 Ų62115.9 Ų115.964%0.63963%0.631SS**SBendtrans62-32.8153.800000121.2V517V517-G519 PolarHBondContact O-N 3.18Å
520H28.8Very low28.2Very low178 Ų178115 Ų11582%0.82464%0.64SS**SBendtrans-135.92.1-162.8-61.2-37.9000115.9S518S518-H520 VanDerWaalsContact C-N 3.27Å; S518-H520 PolarHBondContact O-N 3.12Å
521C26.6Very low27.9Very low111 Ų111118.9 Ų118.975%0.7566%0.663SS**  trans-119.921.1-176.4-70.10000115
522S24.6Very low27.9Very low71 Ų71120 Ų12050%0.49767%0.673SS.*SBendtrans-74.9134.5155.5-69.10000107.5L524S522-L524 PolarHBondContact O-N 2.99Å
523P24.9Very low27.6Very low119 Ų119124.5 Ų124.577%0.77368%0.684SS**  trans-54.6120.7-177.221.8-30.9000108.4V525P523-V525 VanDerWaalsContact C-N 3.32Å; P523-V525 PolarHBondContact O-N 3.39Å
524L23.9Very low27.3Very low166 Ų166128.5 Ų128.587%0.86971%0.711SS**  trans-53.5100.6174.5-72.1166.1000107.1S522 S526S522-L524 PolarHBondContact O-N 2.99Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.05Å
525V25.6Very low27Very low105 Ų105128.9 Ų128.964%0.63672%0.722SS**  trans-57.2111.2160.8174.70000103.9P523 Y527P523-V525 VanDerWaalsContact C-N 3.32Å; P523-V525 PolarHBondContact O-N 3.39Å; V525-Y527 VanDerWaalsContact C-N 3.26Å; V525-Y527 HydrophobicContact CB-CE2 4.24Å; V525-Y527 HydrophobicContact CG1-CE2 4.33Å; V525-Y527 WeakPolarHBondContact O-CD2 3.17Å; V525-Y527 PolarHBondContact O-N 2.9Å
526S23.4Very low27Very low108 Ų108128.1 Ų128.176%0.75573%0.731SS**  trans-54.792175.7150.80000108.2L524 A528L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.05Å; S526-A528 PolarHBondContact O-N 2.9Å; S526-A528 VanDerWaalsContact O-N 3.09Å
527Y26.6Very low26.4Very low203 Ų203129.5 Ų129.580%0.79675%0.748SS**  trans-73102.2166.6-77.4-81000106.6V525 Y529V525-Y527 VanDerWaalsContact C-N 3.26Å; V525-Y527 HydrophobicContact CB-CE2 4.24Å; V525-Y527 HydrophobicContact CG1-CE2 4.33Å; V525-Y527 WeakPolarHBondContact O-CD2 3.17Å; V525-Y527 PolarHBondContact O-N 2.9Å; Y527-Y529 PolarHBondContact O-N 3.15Å; Y527-Y529 VanDerWaalsContact O-N 3.15Å
528A25.8Very low26.3Very low83 Ų83131.6 Ų131.669%0.68676%0.763SS**  trans-53.2120.3162.400000107.1S526 S530S526-A528 PolarHBondContact O-N 2.9Å; S526-A528 VanDerWaalsContact O-N 3.09Å; A528-S530 PolarHBondContact O-N 3.34Å
529Y24.1Very low26.1Very low228 Ų228132.5 Ų132.589%0.89477%0.768SS**  trans-51.198.7179.1-81.6-98.9000111Y527Y527-Y529 PolarHBondContact O-N 3.15Å; Y527-Y529 VanDerWaalsContact O-N 3.15Å
530S27.6Very low25.7Very low114 Ų114141.1 Ų141.180%0.79778%0.782SS**  trans-100.9103.7153.361.30000107.4A528A528-S530 PolarHBondContact O-N 3.34Å
531I26.3Very low25.5Very low138 Ų138141.1 Ų141.171%0.70878%0.782SS**  trans-56.5140.2174-68.7161.4000109.4
532N27.3Very low25.4Very low142 Ų142141.7 Ų141.776%0.75978%0.782SS**  trans76.998.2174.7-56.8-19.7000116.2
533E28.4Very low25.4Very low183 Ų183143.7 Ų143.786%0.85579%0.79SS**  -179.3131.4103.5-95174.7-173.200110.1S535E533-S535 PolarHBondContact O-N 3.41Å
534T26.5Very low25.4Very low148 Ų148144.7 Ų144.791%0.90879%0.789SS**  trans-68.6103.2172.143.90000109.7
535S26.2Very low25.5Very low105 Ų105145.3 Ų145.373%0.73479%0.788SS**  trans-149.9126.4159.859.90000111E533E533-S535 PolarHBondContact O-N 3.41Å
536S27.2Very low25.6Very low116 Ų116147.6 Ų147.681%0.81180%0.796SS**  trans-35.6139.2177.747.40000116
537L23.9Very low25.7Very low164 Ų164147.5 Ų147.586%0.85980%0.796SS**  trans-40.3133.6171.1-71.8152.7000112.6C539L537-C539 PolarHBondContact O-N 3.03Å; L537-C539 VanDerWaalsContact O-N 3.08Å
538P24.9Very low25.7Very low122 Ų122148.9 Ų148.979%0.79280%0.799SS**  trans-73.3106.2176.3110.7000109.3
539C24.6Very low25.8Very low116 Ų116150.5 Ų150.578%0.78481%0.806SS**  trans-72.5131163.3-171.10000108.1L537 Q541L537-C539 PolarHBondContact O-N 3.03Å; L537-C539 VanDerWaalsContact O-N 3.08Å; C539-Q541 PolarHBondContact O-N 3.4Å
540W22.7Very low25.9Very low244 Ų244147 Ų14792%0.92480%0.802SS**  trans-59.9106.1176.4-70.782.8000109.7V542W540-V542 PolarHBondContact O-N 2.72Å
541Q23.3Very low25.8Very low178 Ų178148.1 Ų148.183%0.83280%0.798SS**  trans-79.8113169.6-125175.5-9.800108.1C539 V543C539-Q541 PolarHBondContact O-N 3.4Å; Q541-V543 PolarHBondContact O-N 2.78Å
542V25.1Very low25.7Very low123 Ų123146.5 Ų146.575%0.74580%0.799SS**  trans-66.999.3169.61780000107.1W540 N544W540-V542 PolarHBondContact O-N 2.72Å; V542-N544 PolarHBondContact O-N 3.08Å; V542-N544 VanDerWaalsContact O-N 3.14Å
543V24.6Very low25.6Very low112 Ų112148.2 Ų148.268%0.67980%0.8SS**  trans-77.696.8175.9-178.60000107.7Q541 E545Q541-V543 PolarHBondContact O-N 2.78Å; V543-E545 HydrophobicContact CG1-CG 4.11Å; V543-E545 PolarHBondContact O-N 3.23Å
544N25.8Very low25.6Very low141 Ų141146.4 Ų146.475%0.75480%0.795SS**  trans-71.6103.7159.4-77.4-24.1000107.1V542 D546V542-N544 PolarHBondContact O-N 3.08Å; V542-N544 VanDerWaalsContact O-N 3.14Å; N544-D546 PolarHBondContact O-N 2.8Å
545E26.2Very low25.5Very low179 Ų179148.8 Ų148.884%0.83679%0.793SS**  trans-70.277.8173.6-73.6-173.1155.100110.4V543V543-E545 HydrophobicContact CG1-CG 4.11Å; V543-E545 PolarHBondContact O-N 3.23Å
546D26.7Very low25.5Very low152 Ų152148.1 Ų148.181%0.81379%0.788SS**  trans-144.975.1162.5-96.1-29000108.1N544N544-D546 PolarHBondContact O-N 2.8Å
547S26.2Very low25.3Very low106 Ų106150.1 Ų150.174%0.74179%0.789SS**SBendtrans173.6118.5145.236.50000113.1
548R26Very low25.3Very low232 Ų232152.9 Ų152.988%0.87579%0.79SS**  trans71.167.6139.8-59175.4179.1-172.7-0.4116.5N550R548-N550 PolarHBondContact O-N 3.34Å
549S28.1Very low25.3Very low117 Ų117151.9 Ų151.982%0.81879%0.786SS**  trans-64.8119.6144.454.90000108.7I551S549-I551 PolarHBondContact O-N 3.5Å
550N26Very low25.2Very low154 Ų154155 Ų15582%0.82479%0.789SS**  trans-47.6124.9-177.2-78.7-45.8000112.8R548 S552R548-N550 PolarHBondContact O-N 3.34Å; N550-S552 PolarHBondContact O-N 3.39Å
551I25Very low25.4Very low139 Ų139152.4 Ų152.471%0.71379%0.787SS**  trans-60.8100.2165.2-66.3169.5000107.9S549 F553S549-I551 PolarHBondContact O-N 3.5Å; I551-F553 HydrophobicContact CG2-CD2 3.07Å; I551-F553 HydrophobicContact CG2-CE2 3.34Å; I551-F553 HydrophobicContact CG2-CG 4.06Å
552S25.5Very low25.5Very low103 Ų103147.5 Ų147.572%0.7278%0.784SS**  trans-110.589.2150.161.20000107.2N550 I554N550-S552 PolarHBondContact O-N 3.39Å; S552-I554 PolarHBondContact O-N 3.28Å
553F24.5Very low25.4Very low178 Ų178148.1 Ų148.178%0.78179%0.788SS**  trans-61.795.3171.4-88.3-77.1000109.4I551I551-F553 HydrophobicContact CG2-CD2 3.07Å; I551-F553 HydrophobicContact CG2-CE2 3.34Å; I551-F553 HydrophobicContact CG2-CG 4.06Å
554I28.2Very low25.5Very low145 Ų145148.2 Ų148.274%0.74479%0.791SS**  trans-120.998.9155.2-61.2-178.9000106.7S552 S556S552-I554 PolarHBondContact O-N 3.28Å; I554-S556 PolarHBondContact O-N 2.92Å; I554-S556 VanDerWaalsContact O-N 3.09Å
555K24Very low25.5Very low199 Ų199148.2 Ų148.287%0.86580%0.796SS**  trans-49.1110.1166.7-76.7174.3172176.60108.8
556S26.4Very low25.5Very low91 Ų91149 Ų14964%0.63680%0.797SS**  trans-141.5122.1157570000109.5I554 Y558I554-S556 PolarHBondContact O-N 2.92Å; I554-S556 VanDerWaalsContact O-N 3.09Å; S556-Y558 PolarHBondContact O-N 3.07Å
557N23.4Very low25.4Very low157 Ų157150 Ų15084%0.8480%0.801SS**  trans-53.4123.7-175.6-60.2-35.5000111.9
558Y24.5Very low25.3Very low223 Ų223149.9 Ų149.988%0.87580%0.801SS**  trans-131111.5152.4-83.1-80000108.9S556S556-Y558 PolarHBondContact O-N 3.07Å
559S24.5Very low25.3Very low101 Ų101143.8 Ų143.871%0.70679%0.793SS**  trans-70.1147.1177.762.80000111.2H561S559-H561 PolarHBondContact O-N 3.16Å
560E23.2Very low25.3Very low180 Ų180146.3 Ų146.384%0.84180%0.797SS**  trans-35.6121163.3-57.9171.515200113.5
561H25.7Very low25.3Very low191 Ų191147.4 Ų147.488%0.88479%0.794SS**  trans-156.2117.8147.8-81.7-49.3000109.5S559S559-H561 PolarHBondContact O-N 3.16Å
562G25.1Very low25.3Very low75 Ų75148.2 Ų148.277%0.77380%0.8SS**  trans138.857.1163.800000115.7
563T23.1Very low25.4Very low135 Ų135153.3 Ų153.383%0.82881%0.809SS**  trans-47.6137.9175.8-36.50000113.6
564P26.5Very low25.4Very low114 Ų114156.4 Ų156.474%0.7482%0.816SS**  trans-75.4136.1-17730.2-34.7000112.4K566P564-K566 PolarHBondContact O-N 3.14Å; P564-K566 VanDerWaalsContact O-N 3.13Å
565T26Very low25.2Very low142 Ų142155.2 Ų155.287%0.87182%0.821SS**  trans-66.1109.9176.2-42.10000110L567T565-L567 PolarHBondContact O-N 3.17Å
566K26.2Very low25.1Very low195 Ų195157.2 Ų157.285%0.84882%0.823SS**  trans-47.2124.7177.4-74.9174.9173.4174.90112.3P564 S568P564-K566 PolarHBondContact O-N 3.14Å; P564-K566 VanDerWaalsContact O-N 3.13Å; K566-S568 PolarHBondContact O-N 3.11Å
567L24.6Very low25.2Very low173 Ų173158.9 Ų158.991%0.90683%0.829SS**  trans-53.4106.8157.4-97.386.2000109T565 S569T565-L567 PolarHBondContact O-N 3.17Å; L567-S569 PolarHBondContact O-N 3.07Å
568S25Very low25.2Very low104 Ų104159.1 Ų159.173%0.72783%0.829SS**  trans-71.8109.3167.958.40000109K566 L570K566-S568 PolarHBondContact O-N 3.11Å; S568-L570 PolarHBondContact O-N 2.92Å; S568-L570 VanDerWaalsContact O-N 3.09Å
569S26.2Very low25.2Very low103 Ų103158 Ų15872%0.7283%0.829SS**  trans-59.6101.6170.647.60000111L567 K571L567-S569 PolarHBondContact O-N 3.07Å; S569-K571 VanDerWaalsContact C-N 3.32Å; S569-K571 PolarHBondContact O-N 3.45Å
570L27Very low25.2Very low171 Ų171159.3 Ų159.390%0.89583%0.834SS**  trans-76.288.9168.6-85.5157.7000109.2S568S568-L570 PolarHBondContact O-N 2.92Å; S568-L570 VanDerWaalsContact O-N 3.09Å
571K25.7Very low25.2Very low176 Ų176159.4 Ų159.477%0.76583%0.834SS**  trans-57.4134.2165.9-78.2177.4173.2178.30111S569S569-K571 VanDerWaalsContact C-N 3.32Å; S569-K571 PolarHBondContact O-N 3.45Å
572N27Very low25.2Very low157 Ų157157.8 Ų157.884%0.8483%0.832SS**  trans42.193.1147.4-65.9-11.6000117.8
573K25.9Very low25.3Very low210 Ų210161.8 Ų161.891%0.91384%0.836SS**  trans-117.4109.2150.3-84.4-175.5176.4178.20109.8
574R24.8Very low25.5Very low243 Ų243158.2 Ų158.292%0.91783%0.826SS**  trans-48.1134.4171.7-87.6176.1168.4171.6-4.8111.1R576R574-R576 PolarHBondContact O-N 3.26Å
575S23.8Very low25.4Very low120 Ų120162.5 Ų162.584%0.83983%0.832SS**  trans-54.6111.7167.890000110.4
576R23.3Very low25.6Very low241 Ų241164 Ų16491%0.90983%0.834SS**  trans-97.3105.3165.2-99.4-177.5170.8171.1-3.4108R574 L578R574-R576 PolarHBondContact O-N 3.26Å; R576-L578 PolarHBondContact O-N 3.27Å
577T27.1Very low25.5Very low125 Ų125160.2 Ų160.277%0.76783%0.831SS**  trans-60.3118.8171.542.80000110.4F579T577-F579 VanDerWaalsContact C-N 3.31Å; T577-F579 PolarHBondContact O-N 2.88Å; T577-F579 VanDerWaalsContact O-N 3.16Å
578L23.5Very low25.6Very low163 Ų163155.4 Ų155.485%0.85382%0.824SS**  trans-82.470.8173.3-88.7159000109.9R576R576-L578 PolarHBondContact O-N 3.27Å
579F24.2Very low25.6Very low198 Ų198157.8 Ų157.887%0.86883%0.834SS**  trans-150.694.3161.1-69.1-72000107.9T577T577-F579 VanDerWaalsContact C-N 3.31Å; T577-F579 PolarHBondContact O-N 2.88Å; T577-F579 VanDerWaalsContact O-N 3.16Å
580T24.5Very low25.7Very low130 Ų130156 Ų15680%0.79883%0.831SS**  trans-126.6107158.742.50000106.4D582T580-D582 PolarHBondContact O-N 3.34Å; T580-D582 VanDerWaalsContact O-N 3.17Å
581E24Very low25.6Very low182 Ų182153 Ų15385%0.8583%0.825SS**  trans-62.8101.9166.2-66.8178.2155.300108
582D26.3Very low25.8Very low157 Ų157151.2 Ų151.284%0.8483%0.828SS**  trans-102.9100.1168.5-114.7-20.6000109T580 G584T580-D582 PolarHBondContact O-N 3.34Å; T580-D582 VanDerWaalsContact O-N 3.17Å; D582-G584 PolarHBondContact O-N 3.3Å
583N26.7Very low25.7Very low159 Ų159154.1 Ų154.185%0.8583%0.827SS**  trans-68.475169.4-79.3-38.6000109.9
584G27.6Very low26.1Very low60 Ų60149.7 Ų149.762%0.61982%0.82SS**  trans-91.699.8173.700000111.9D582 I586D582-G584 PolarHBondContact O-N 3.3Å; G584-I586 PolarHBondContact O-N 3.02Å; G584-I586 VanDerWaalsContact O-N 3.15Å
585K24.8Very low26.2Very low203 Ų203145.2 Ų145.288%0.88381%0.814SS**  trans-52.4112.3169.2-77.5172.6174.2173.60110.9S587K585-S587 PolarHBondContact O-N 3.37Å
586I28.4Very low26.6Very low175 Ų175147.7 Ų147.790%0.89782%0.817SS**  trans-91.791.4167.1-58.5176.2000107.8G584G584-I586 PolarHBondContact O-N 3.02Å; G584-I586 VanDerWaalsContact O-N 3.15Å
587S24.2Very low26.7Very low114 Ų114144.6 Ų144.680%0.79782%0.818SS**  trans-99.1122.3162.2540000108.5K585K585-S587 PolarHBondContact O-N 3.37Å
588G28.2Very low26.8Very low73 Ų73145.6 Ų145.675%0.75382%0.817SS**  trans158.36517400000113.9G590G588-G590 PolarHBondContact O-N 3.05Å
589V25.2Very low27Very low154 Ų154142.7 Ų142.793%0.93381%0.81SS**  trans-68.6112.6168.8174.20000108.5
590G26.9Very low27.2Very low65 Ų65145.4 Ų145.467%0.6782%0.815SS**  trans-121.590.4174.800000111G588G588-G590 PolarHBondContact O-N 3.05Å
591S26Very low27.6Very low108 Ų108144.5 Ų144.576%0.75581%0.814SS**  trans-3.2111.7159.5-177.20000117.4
592V28.5Very low27.7Very low139 Ų139141.1 Ų141.184%0.84281%0.81SS**  trans-111.3114158.4179.60000107.5
593R26.1Very low27.9Very low218 Ų218143.3 Ų143.382%0.82381%0.812SS**  trans-60.5134.9179.6-79.2178.4170.3174.6-3.8111.4
594P34.5Very low28Very low117 Ų117147.6 Ų147.676%0.7682%0.816SS**  trans-95.4108.717333.9-24.1000109.4
595D27Very low27.9Very low149 Ų149153.7 Ų153.780%0.79783%0.829SS**  trans-148.5108.1164.1-87.7-39.4000108.5
596L30.6Very low28.1Very low172 Ų172149.6 Ų149.690%0.90183%0.826SS**  trans171.365.1146-90.2159.6000108.6
597L25.3Very low28.2Very low175 Ų175150.2 Ų150.292%0.91683%0.825SS**  trans-101.594.7162.3-88.1166.7000108
598I30.2Very low28.5Very low147 Ų147153.3 Ų153.375%0.75483%0.827SS**  trans-13296.5161-61-177.5000108.8
599S27.2Very low28.8Very low102 Ų102156.4 Ų156.471%0.71383%0.831SS**  trans16117.6143.159.20000118.4
600R29.9Very low29.2Very low255 Ų255155.8 Ų155.896%0.96283%0.828SS**  trans-124.9126139.6-86.4-173.2174.4178.4-0.7110.4
601S31.3Very low29.6Very low111 Ų111163.7 Ų163.778%0.77684%0.837SS**  trans-70.9142.8-163.752.30000114.7
602S27.6Very low29.8Very low110 Ų110168.6 Ų168.677%0.76984%0.84SS**  trans-45132.7154.745.60000113.7
603K28.9Very low30.1Very low203 Ų203170 Ų17088%0.88384%0.838SS**  trans177.799.7147.1-104.7174.3-177.4-179.90108.8
604R28.8Very low30.5Very low250 Ų250170.6 Ų170.694%0.94384%0.84SS**  trans177.962.9150.2-99.3171.1-168.2-165.24.7109.8
605E26.7Very low30.6Very low187 Ų187175.6 Ų175.687%0.87484%0.844SS**  trans-125.5146.8153.9-81.7-176.5157.700105.9
606S29.2Very low31Very low117 Ų117172.2 Ų172.282%0.81883%0.832SS**SBendtrans98.856.7-178.9-39.70000116
607Q30Very low31.3Very low188 Ų188172.2 Ų172.288%0.87983%0.827SS**SBendtrans-163.449151.6-115173.92800113.5
608E31Very low31.8Very low180 Ų180172.4 Ų172.484%0.84182%0.823SS**SBendtrans-143.47.2172.1-121.3174.7-171.300116.7
609V33.8Very low31.9Very low138 Ų138171 Ų17184%0.83682%0.821SS**SBendtrans-93.5-11.9-176.5-179.40000114.1
610T33.3Very low32.2Very low141 Ų141172.8 Ų172.887%0.86582%0.822SS**SBendtrans-98.712-175.623.60000116.5
611R35.5Very low32.4Very low231 Ų231169 Ų16987%0.87282%0.815SS**SBendtrans-100.5-10.2175.2-91.4-175.8-179.3164.11.4116.1
612Y31Very low32.3Very low210 Ų210172.6 Ų172.682%0.82482%0.819SS**SBendtrans-91.9-11.2-173.9-97.5-80.9000116.3
613E33.7Very low32.4Very low168 Ų168172.5 Ų172.579%0.78582%0.818SS**SBendtrans-90.2-7.3-178.7-82.6-175.5150.800115.8
614R36Very low32.4Very low232 Ų232170.1 Ų170.188%0.87582%0.816SS**SBendtrans-98-1-179.8-78.2-169.5-174.2172.73.3116.3
615R35.7Very low32.4Very low222 Ų222167.1 Ų167.184%0.83881%0.812SS**SBendtrans-103.6-10.7177.7-91.8-175.6173.8-178.6-1.6115.5
616S35.6Very low32.5Very low77 Ų77170.5 Ų170.554%0.53882%0.816SS.*SBendtrans-84.3-10.617947.50000114.4
617Q36Very low32.5Very low173 Ų173174.4 Ų174.481%0.80882%0.819SS**SBendtrans-97-6.4-179-71.8-171.9-6.400115.6
618Q36.4Very low32.4Very low179 Ų179169.8 Ų169.884%0.83681%0.807SS**SBendtrans-100.6-1-179.8-83.7-174.8-13.500115.6
619T33.5Very low32.4Very low116 Ų116171 Ų17171%0.71281%0.813SS**SBendtrans-104.94.8-177.6-19.50000114.6
620I32.9Very low32.2Very low141 Ų141171.7 Ų171.772%0.72381%0.811SS**SBendtrans-94.2-2.7-177.9-63.1178.9000113.4
621Q33.7Very low32Very low175 Ų175174.7 Ų174.782%0.81881%0.812SS**SBendtrans-97.23.2-177.2-82.4-169.2-6.900117.6
622H30.1Very low31.6Very low186 Ų186173.3 Ų173.386%0.86181%0.812SS**SBendtrans-136.369.5179.2-75-61000114.2
623S29.3Very low31.5Very low108 Ų108171 Ų17176%0.75581%0.813SS**  trans-159.734.2158.359.30000114
624N27.7Very low31.4Very low154 Ų154168 Ų16882%0.82481%0.81SS**  trans-108.854.9173.3-87.4-22.9000112.1
625H28.6Very low30.9Very low186 Ų186161.9 Ų161.986%0.86180%0.803SS**  trans-154.994.4164.4-95.5-8.2000111.2
626R30Very low30.7Very low258 Ų258157.6 Ų157.697%0.97480%0.801SS**  trans-17579.2140.2-101165.9-174.4-166.22109
627K28.1Very low30.4Very low200 Ų200160.2 Ų160.287%0.8781%0.809SS**  trans-76.9141.3164.6-86.3-178.3173.3178.20109.7
628S28.3Very low30.2Very low91 Ų91159.1 Ų159.164%0.63681%0.809SS**  trans59.2105.5142.665.40000119.5
629Q31.2Very low29.9Very low204 Ų204157.8 Ų157.895%0.95381%0.807SS**  trans-125.797133.5-76.9-166.7-8.600108.7
630L29.3Very low29.8Very low154 Ų154163 Ų16381%0.80681%0.814SS**  trans-67.5123.4165-87.792.6000108.9
631K29.9Very low29.8Very low204 Ų204165.2 Ų165.289%0.88782%0.821SS**  trans-100105.3157.8-96.4-178174.6178.80108.7I633K631-I633 PolarHBondContact O-N 3.21Å
632K27.5Very low29.9Very low201 Ų201166.1 Ų166.187%0.87483%0.825SS**  trans-57.6123.2164-78.6174.2170.6177.80108.9
633I28.6Very low29.9Very low163 Ų163167.4 Ų167.484%0.83682%0.823SS**  trans-115.1121.5157.1-64177.6000106.3K631K631-I633 PolarHBondContact O-N 3.21Å
634S30.4Very low30.2Very low103 Ų103165.6 Ų165.672%0.7281%0.81SS**  trans-71.2147-171.242.50000113.3
635S27.2Very low30.4Very low104 Ų104164.7 Ų164.773%0.72781%0.805SS**  trans-46.5133.6171.353.30000114.9
636V31.2Very low30.5Very low133 Ų133162.6 Ų162.681%0.80680%0.799SS**  trans-114.8113.9154.1175.60000107N638V636-N638 PolarHBondContact O-N 3.09Å
637N28.9Very low30.6Very low132 Ų132155.7 Ų155.771%0.70678%0.778SS**  trans-58.2121.7173.2-78.3-17.4000110
638N31.4Very low31Very low149 Ų149153.8 Ų153.880%0.79777%0.77SS**  trans-12595.7155.1-96.6-25000106.9V636 R640V636-N638 PolarHBondContact O-N 3.09Å; N638-R640 PolarHBondContact O-N 3Å
639D30.5Very low31.5Very low151 Ų151156.7 Ų156.781%0.80777%0.771SS**  trans-61.186.2167.7-76.5-44000109.3
640R31.1Very low31.8Very low226 Ų226156.1 Ų156.185%0.85377%0.766SS**  trans-115.691.8154.4-78.4-172.1178.4-176.70106.3N638 Q642N638-R640 PolarHBondContact O-N 3Å; R640-Q642 PolarHBondContact O-N 3.13Å
641Q33.6Very low31.9Very low188 Ų188159 Ų15988%0.87978%0.78SS**  trans-47.6108.1169.8-78.8178.1-24.400109R643Q641-R643 PolarHBondContact O-N 2.94Å
642Q34.9Very low32Very low193 Ų193156.8 Ų156.890%0.90277%0.774SS**  trans-68.6115.7174.6-74.2175.2-32.100108.1R640R640-Q642 PolarHBondContact O-N 3.13Å
643R30Very low32.3Very low213 Ų213154.4 Ų154.480%0.80477%0.769SS**  trans-75.3132.5168.9-67.8-171178.5175.4-2.1109.2Q641 E647Q641-R643 PolarHBondContact O-N 2.94Å; R643-E647 WeakPolarHBondContact CB-OE2 3.44Å; R643-E647 WeakPolarHBondContact CG-OE2 3.19Å
644S36.8Very low32.5Very low71 Ų71153.9 Ų153.950%0.49777%0.765SS.*  trans-74.7149.9176.277.70000110.6L646 E647S644-L646 PolarHBondContact O-N 3.09Å; S644-E647 WeakPolarHBondContact O-CB 3.09Å; S644-E647 PolarHBondContact O-N 3.45Å
645L31.6Very low32.6Very low135 Ų135156.9 Ų156.971%0.70777%0.768SS**Hα-helixtrans-50.7-27.3176.9-103.3152000113.4E647 F648 F649L645-E647 VanDerWaalsContact C-N 3.35Å; L645-F648 PolarHBondContact O-N 3.41Å; L645-F649 HydrophobicContact CD2-CE2 4.03Å; L645-F649 VanDerWaalsContact O-CD2 3.23Å; L645-F649 WeakPolarHBondContact O-CD2 3.4Å
646L30.1Very low32.9Very low141 Ų141160.3 Ų160.374%0.73877%0.77SS**Hα-helixtrans-69.4-29.7177-155.681.4000112.9S644 F648S644-L646 PolarHBondContact O-N 3.09Å; L646-F648 VanDerWaalsContact C-N 3.32Å
647E33.4Very low33.1Very low113 Ų113162.1 Ų162.153%0.52877%0.768SS.*Hα-helixtrans-74.9-23175.2-73.1-170.6146.800112.6R643 S644 L645 F649R643-E647 WeakPolarHBondContact CB-OE2 3.44Å; R643-E647 WeakPolarHBondContact CG-OE2 3.19Å; S644-E647 WeakPolarHBondContact O-CB 3.09Å; S644-E647 PolarHBondContact O-N 3.45Å; L645-E647 VanDerWaalsContact C-N 3.35Å; E647-F649 VanDerWaalsContact C-N 3.32Å
648F36.2Very low33.4Very low161 Ų161164.2 Ų164.271%0.70677%0.773SS**Hα-helixtrans-70.6-28.5176.9-168.1-94.9000112.5L645 L646L645-F648 PolarHBondContact O-N 3.41Å; L646-F648 VanDerWaalsContact C-N 3.32Å
649F37.8Very low33.5Very low151 Ų151165.4 Ų165.466%0.66277%0.771SS**THydrogen-bonded Turntrans-9410.6-176.8-69.9-69000115.1L645 E647L645-F649 HydrophobicContact CD2-CE2 4.03Å; L645-F649 VanDerWaalsContact O-CD2 3.23Å; L645-F649 WeakPolarHBondContact O-CD2 3.4Å; E647-F649 VanDerWaalsContact C-N 3.32Å
650K37.8Very low33.8Very low193 Ų193166.6 Ų166.684%0.83977%0.768SS**THydrogen-bonded Turntrans-102.711.6174.9-93.6-171.2176.2-177.10114.4
651I32.1Very low34Very low214 Ų214161.2 Ų161.2100%1.09776%0.76SS**  trans-105.10162.8-54.5175.2000106.4

Retrieved 651 of 651 residues in 184.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).