A0A077ZNL6_TRITR Loading...

Reverse transcriptase family protein

AlphaFold DB , UniProt , Accession A0A077ZNL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 805 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
1M32Very low66Low199 Ų19994.1 Ų94.198%0.9852%0.524SS*.  099.70-69.1-69.4176.400107.5G428M1-G428 VanDerWaalsContact CE-O 3.24Å; M1-G428 WeakPolarHBondContact CE-O 3.45Å
2S31.8Very low68Low117 Ų11787.2 Ų87.282%0.81849%0.486SS*.PPolyproline II helixtrans-58.5148.4163.932.40000109
3E39.5Very low69.6Low160 Ų16083.2 Ų83.275%0.74847%0.467SS*.PPolyproline II helixtrans-54.8137.5170.5-72.9-160.1135.800108.7S5E3-S5 PolarHBondContact O-N 3.36Å; E3-S5 VanDerWaalsContact O-N 3.13Å
4P49.7Very low71.2Confident72 Ų7279.7 Ų79.747%0.46845%0.451SS..PPolyproline II helixtrans-58.9123.9174.226.2-33.3000108.1R6 R62P4-R6 PolarHBondContact O-N 3.44Å; P4-R6 VanDerWaalsContact O-N 3.14Å; P4-R62 VanDerWaalsContact CB-NH1 3.32Å
5S58.4Low72.6Confident117 Ų11777.3 Ų77.382%0.81844%0.436SS*.PPolyproline II helixtrans-49122.7-179.8380000109.5E3E3-S5 PolarHBondContact O-N 3.36Å; E3-S5 VanDerWaalsContact O-N 3.13Å
6R74.7Confident73.9Confident118 Ų11879.4 Ų79.445%0.44545%0.454SS..PPolyproline II helixtrans-63.3152.7-179-67.4-172.2-174.7176.96109.5P4 V8 E97P4-R6 PolarHBondContact O-N 3.44Å; P4-R6 VanDerWaalsContact O-N 3.14Å; R6-V8 PolarHBondContact O-N 3.42Å; R6-V8 VanDerWaalsContact O-N 3.11Å; R6-E97 HydrophobicContact CB-CB 3.63Å; R6-E97 HydrophobicContact CB-CG 4.06Å
7V84.9Confident75Confident14 Ų1477.1 Ų77.19%0.08544%0.437CS..BIsolated β-bridgetrans-75.7105.8-173.3-177.40000109L9 L12 F65 F92 E95 L96 E97V7-L9 PolarHBondContact O-N 3.45Å; V7-L12 HydrophobicContact CG1-CD1 3.82Å; V7-L12 HydrophobicContact CG1-CD2 3.91Å; V7-L12 HydrophobicContact CG1-CG 4.21Å; V7-F65 HydrophobicContact CG2-CD2 3.83Å; V7-F92 HydrophobicContact CG1-CE2 4.18Å; V7-E95 HydrophobicContact CG2-CB 4Å; V7-E95 PolarHBondContact N-O 3.18Å; V7-L96 HydrophobicContact CB-CD2 4.09Å; V7-L96 HydrophobicContact CG1-CD2 3.83Å; V7-L96 CarbonylContact O-C 3.59Å; V7-L96 VanDerWaalsContact O-CA 3.27Å; V7-L96 WeakPolarHBondContact O-CA 3.46Å; V7-E97 PolarHBondContact O-N 2.81Å
8V90Very high75.9Confident48 Ų4877.7 Ų77.729%0.29144%0.442SS..  trans-83.6107.1178.6-160.50000109.3R6 S10 N11 E97R6-V8 PolarHBondContact O-N 3.42Å; R6-V8 VanDerWaalsContact O-N 3.11Å; V8-S10 WeakPolarHBondContact CG1-OG 3.41Å; V8-S10 PolarHBondContact O-N 3.06Å; V8-N11 HydrophobicContact CB-CB 4.21Å; V8-N11 PolarHBondContact O-N 3.42Å; V8-E97 WeakPolarHBondContact CG2-OE2 3.26Å
9L90.6Very high76.8Confident5 Ų574.5 Ų74.53%0.02642%0.423CS..THydrogen-bonded Turntrans-58.5-25.1-174.2-17358.1000113.5V7 N11 L12 P28 F92 L96 L100 R136 H137 T140V7-L9 PolarHBondContact O-N 3.45Å; L9-N11 VanDerWaalsContact C-N 3.34Å; L9-L12 HydrophobicContact CD1-CD1 4.08Å; L9-P28 HydrophobicContact CD1-CG 3.63Å; L9-F92 HydrophobicContact CD1-CZ 4.21Å; L9-L96 HydrophobicContact CB-CD2 4.2Å; L9-L96 HydrophobicContact CD1-CD2 4.34Å; L9-L96 HydrophobicContact CD2-CD1 4.49Å; L9-L100 HydrophobicContact CD2-CD1 4.21Å; L9-R136 HydrophobicContact CG-CB 4.44Å; L9-H137 HydrophobicContact CD2-CB 4.48Å; L9-T140 HydrophobicContact CD1-CG2 4.49Å; L9-T140 HydrophobicContact CD2-CG2 4.48Å
10S87Confident77.2Confident61 Ų6178.9 Ų78.943%0.42745%0.445SS..THydrogen-bonded Turntrans-70.5-27174.854.40000114.6V8V8-S10 WeakPolarHBondContact CG1-OG 3.41Å; V8-S10 PolarHBondContact O-N 3.06Å
11N87.8Confident77.7Confident124 Ų12479 Ų7966%0.66344%0.444SS*.SBendtrans-101.41.6-168.5-56.92.9000112.1V8 L9V8-N11 HydrophobicContact CB-CB 4.21Å; V8-N11 PolarHBondContact O-N 3.42Å; L9-N11 VanDerWaalsContact C-N 3.34Å
12L90Very high80.2Confident11 Ų1172.2 Ų72.26%0.05843%0.426CS..SBendtrans-78.9140.7178.9-65-174.1000112.1V7 L9 S14 P28 F65 F92V7-L12 HydrophobicContact CG1-CD1 3.82Å; V7-L12 HydrophobicContact CG1-CD2 3.91Å; V7-L12 HydrophobicContact CG1-CG 4.21Å; L9-L12 HydrophobicContact CD1-CD1 4.08Å; L12-S14 PolarHBondContact O-N 3.08Å; L12-S14 PolarHBondContact O-OG 3.08Å; L12-P28 HydrophobicContact CB-CB 4.47Å; L12-P28 HydrophobicContact CD1-CB 4.03Å; L12-P28 HydrophobicContact CD1-CG 4.21Å; L12-F65 WeakPolarHBondContact CD2-O 3.39Å; L12-F92 HydrophobicContact CD1-CE2 3.48Å; L12-F92 VanDerWaalsContact CD1-CE2 3.48Å; L12-F92 HydrophobicContact CD1-CZ 3.5Å
13S88.7Confident82.8Confident35 Ų3569.1 Ų69.125%0.24540%0.397CS..  trans-54.4131.2164.864.90000109P28 E29 C66S13-P28 WeakPolarHBondContact O-CA 3.41Å; S13-E29 WeakPolarHBondContact CB-OE1 2.97Å; S13-E29 WeakPolarHBondContact CB-OE2 3.4Å; S13-E29 PolarHBondContact O-N 3.01Å; S13-E29 PolarHBondContact OG-OE2 2.95Å; S13-C66 PolarHBondContact OG-O 3.48Å
14S91.6Very high85.2Confident35 Ų3564.5 Ų64.525%0.24539%0.387CS..EExtended strand (participates in β ladder)trans-143.7144-172.1-520000110L12 V27 R136L12-S14 PolarHBondContact O-N 3.08Å; L12-S14 PolarHBondContact O-OG 3.08Å; S14-V27 CarbonylContact C-O 3.37Å; S14-V27 WeakPolarHBondContact CA-O 3.5Å; S14-V27 WeakPolarHBondContact CB-O 3.26Å; S14-R136 PolarHBondContact OG-NH1 3.36Å
15L92.1Very high87.2Confident43 Ų4361.6 Ų61.623%0.22537%0.367CS..EExtended strand (participates in β ladder)trans-121.3155.2-178.35778.1000111.1T26 V27 E29 H32L15-T26 WeakPolarHBondContact O-CA 3.49Å; L15-V27 PolarHBondContact N-O 3.41Å; L15-V27 PolarHBondContact O-N 3.07Å; L15-E29 HydrophobicContact CD2-CB 4.46Å; L15-E29 HydrophobicContact CD2-CG 4.06Å; L15-E29 HydrophobicContact CG-CG 4.34Å; L15-H32 HydrophobicContact CD1-CB 3.98Å; L15-H32 HydrophobicContact CD2-CB 4.17Å; L15-H32 WeakPolarHBondContact CD2-ND1 3.46Å; L15-H32 HydrophobicContact CG-CB 4.38Å
16P92.9Very high88.8Confident112 Ų11258.8 Ų58.873%0.72735%0.346SS*.EExtended strand (participates in β ladder)trans-70.2131.9168.829.6-33.5000109.9
17Y92.8Very high89.7Confident39 Ų3953.2 Ų53.215%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-125.1133.5174.2-177.5-94.8000109.6F19 A24 L25 V27 H32 F143 K147Y17-F19 AromaticContact CD1-CD2 3.93Å; Y17-F19 HydrophobicContact CD1-CD2 3.93Å; Y17-F19 AromaticContact CD1-CE2 3.74Å; Y17-F19 HydrophobicContact CD1-CE2 3.74Å; Y17-F19 HydrophobicContact CD1-CG 4.42Å; Y17-F19 HydrophobicContact CD1-CZ 4.09Å; Y17-F19 AromaticContact CE1-CD1 3.83Å; Y17-F19 HydrophobicContact CE1-CD1 3.83Å; Y17-F19 AromaticContact CE1-CD2 3.83Å; Y17-F19 HydrophobicContact CE1-CD2 3.83Å; Y17-F19 AromaticContact CE1-CE1 3.72Å; Y17-F19 HydrophobicContact CE1-CE1 3.72Å; Y17-F19 AromaticContact CE1-CE2 3.7Å; Y17-F19 HydrophobicContact CE1-CE2 3.7Å; Y17-F19 AromaticContact CE1-CG 3.89Å; Y17-F19 HydrophobicContact CE1-CG 3.89Å; Y17-F19 AromaticContact CE1-CZ 3.65Å; Y17-F19 HydrophobicContact CE1-CZ 3.65Å; Y17-A24 WeakPolarHBondContact O-CA 3.43Å; Y17-L25 HydrophobicContact CD1-CD1 4.26Å; Y17-L25 PolarHBondContact N-O 3.09Å; Y17-L25 PolarHBondContact O-N 3.25Å; Y17-V27 HydrophobicContact CG-CG2 4.44Å; Y17-H32 AromaticContact CD2-CD2 3.4Å; Y17-H32 VanDerWaalsContact CD2-CD2 3.4Å; Y17-H32 WeakPolarHBondContact CD2-CD2 3.45Å; Y17-H32 AromaticContact CD2-NE2 3.47Å; Y17-H32 WeakPolarHBondContact CD2-NE2 3.48Å; Y17-H32 AromaticContact CE2-CD2 3.6Å; Y17-H32 AromaticContact CE2-NE2 3.54Å; Y17-F143 AromaticContact CD1-CD2 3.84Å; Y17-F143 HydrophobicContact CD1-CD2 3.84Å; Y17-F143 AromaticContact CD1-CE2 3.76Å; Y17-F143 HydrophobicContact CD1-CE2 3.76Å; Y17-F143 HydrophobicContact CD2-CE2 4.36Å; Y17-F143 HydrophobicContact CE1-CD2 4.12Å; Y17-F143 AromaticContact CE1-CE2 3.83Å; Y17-F143 HydrophobicContact CE1-CE2 3.83Å; Y17-F143 HydrophobicContact CE2-CE2 4.43Å; Y17-F143 HydrophobicContact CG-CD2 4.36Å; Y17-F143 HydrophobicContact CG-CE2 4.03Å; Y17-K147 PolarHBondContact OH-NZ 3.45Å
18V92.5Very high90.2Very high89 Ų8952.6 Ų52.654%0.53932%0.321SS..EExtended strand (participates in β ladder)trans-117.7126-179.3-171.70000108.5A24V18-A24 HydrophobicContact CG2-CB 3.98Å
19F91.6Very high90.4Very high17 Ų1753 Ų538%0.07532%0.319CS..  trans-82.3161.1172.4-75.3-87.5000111.9Y17 D21 G22 F23 L25 F143 R146Y17-F19 AromaticContact CD1-CD2 3.93Å; Y17-F19 HydrophobicContact CD1-CD2 3.93Å; Y17-F19 AromaticContact CD1-CE2 3.74Å; Y17-F19 HydrophobicContact CD1-CE2 3.74Å; Y17-F19 HydrophobicContact CD1-CG 4.42Å; Y17-F19 HydrophobicContact CD1-CZ 4.09Å; Y17-F19 AromaticContact CE1-CD1 3.83Å; Y17-F19 HydrophobicContact CE1-CD1 3.83Å; Y17-F19 AromaticContact CE1-CD2 3.83Å; Y17-F19 HydrophobicContact CE1-CD2 3.83Å; Y17-F19 AromaticContact CE1-CE1 3.72Å; Y17-F19 HydrophobicContact CE1-CE1 3.72Å; Y17-F19 AromaticContact CE1-CE2 3.7Å; Y17-F19 HydrophobicContact CE1-CE2 3.7Å; Y17-F19 AromaticContact CE1-CG 3.89Å; Y17-F19 HydrophobicContact CE1-CG 3.89Å; Y17-F19 AromaticContact CE1-CZ 3.65Å; Y17-F19 HydrophobicContact CE1-CZ 3.65Å; F19-D21 VanDerWaalsContact CB-OD1 3.24Å; F19-D21 WeakPolarHBondContact CB-OD1 3.34Å; F19-D21 PolarHBondContact O-N 3.13Å; F19-G22 WeakPolarHBondContact O-CA 3.49Å; F19-G22 PolarHBondContact O-N 3.41Å; F19-F23 HydrophobicContact CD2-CD1 4.39Å; F19-F23 PolarHBondContact N-O 2.83Å; F19-L25 HydrophobicContact CE2-CD1 4.18Å; F19-L25 HydrophobicContact CE2-CD2 4.1Å; F19-L25 HydrophobicContact CE2-CG 4.26Å; F19-F143 HydrophobicContact CE2-CD2 4.17Å; F19-F143 AromaticContact CZ-CD2 3.83Å; F19-F143 HydrophobicContact CZ-CD2 3.83Å; F19-F143 HydrophobicContact CZ-CE2 4.47Å; F19-R146 VanDerWaalsContact CB-NH2 3.33Å; F19-R146 HydrophobicContact CD1-CB 4.5Å; F19-R146 VanDerWaalsContact CD1-NE 3.28Å; F19-R146 HydrophobicContact CE1-CB 3.61Å; F19-R146 HydrophobicContact CE1-CG 4.4Å; F19-R146 VanDerWaalsContact CG-NE 3.32Å; F19-R146 HydrophobicContact CZ-CB 3.62Å; F19-R146 HydrophobicContact CZ-CG 4.27Å
20D86.4Confident90.6Very high161 Ų16152.8 Ų52.886%0.86132%0.318SS*.THydrogen-bonded Turntrans-54.9-22.7179.6-42.1-31.3000114.8G22D20-G22 VanDerWaalsContact C-N 3.27Å
21D86.2Confident91.1Very high81 Ų8149.9 Ų49.943%0.43330%0.298SS..THydrogen-bonded Turntrans-87.612.3174.261-6.8000113.7F19 F23 R146F19-D21 VanDerWaalsContact CB-OD1 3.24Å; F19-D21 WeakPolarHBondContact CB-OD1 3.34Å; F19-D21 PolarHBondContact O-N 3.13Å; D21-F23 PolarHBondContact O-N 3.24Å; D21-F23 WeakPolarHBondContact OD1-CB 3.31Å; D21-F23 PolarHBondContact OD1-N 3.12Å; D21-R146 IonicContact OD1-CZ 2.93Å; D21-R146 IonicContact OD1-NH1 2.61Å; D21-R146 PolarHBondContact OD1-NH1 3.11Å; D21-R146 IonicContact OD1-NH2 2.82Å; D21-R146 PolarHBondContact OD1-NH2 3.16Å; D21-R146 IonicContact OD2-CZ 3.5Å; D21-R146 VanDerWaalsContact OD2-CZ 3.28Å; D21-R146 IonicContact OD2-NH1 3.01Å; D21-R146 PolarHBondContact OD2-NH1 3.01Å; D21-R146 IonicContact OD2-NH2 2.61Å; D21-R146 PolarHBondContact OD2-NH2 3.23Å
22G85.5Confident91.5Very high57 Ų5746.4 Ų46.459%0.58828%0.278SS*.SBendtrans75.24.2-178.300000114.4F19 D20 A24F19-G22 WeakPolarHBondContact O-CA 3.49Å; F19-G22 PolarHBondContact O-N 3.41Å; D20-G22 VanDerWaalsContact C-N 3.27Å; G22-A24 PolarHBondContact O-N 3.27Å
23F86.2Confident91.7Very high52 Ų5247.3 Ų47.323%0.22829%0.287CS..  trans-74.6110.7179.4-169.6-113.7000110.6F19 D21 L25 A142 V219F19-F23 HydrophobicContact CD2-CD1 4.39Å; F19-F23 PolarHBondContact N-O 2.83Å; D21-F23 PolarHBondContact O-N 3.24Å; D21-F23 WeakPolarHBondContact OD1-CB 3.31Å; D21-F23 PolarHBondContact OD1-N 3.12Å; F23-L25 HydrophobicContact CD1-CD2 4.19Å; F23-L25 HydrophobicContact CD1-CG 4.45Å; F23-L25 HydrophobicContact CE1-CD2 3.81Å; F23-L25 HydrophobicContact CE1-CG 4.36Å; F23-A142 HydrophobicContact CE1-CB 4.38Å; F23-V219 HydrophobicContact CD2-CG2 4.13Å; F23-V219 HydrophobicContact CE2-CG2 3.6Å; F23-V219 HydrophobicContact CZ-CG2 4.1Å
24A89Confident92.1Very high64 Ų6445.7 Ų45.753%0.52928%0.275SS..EExtended strand (participates in β ladder)trans-97.1139.217900000111.7Y17 V18 G22Y17-A24 WeakPolarHBondContact O-CA 3.43Å; V18-A24 HydrophobicContact CG2-CB 3.98Å; G22-A24 PolarHBondContact O-N 3.27Å
25L93Very high92.4Very high10 Ų1044 Ų445%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-153.8167.8175.846.262.2000111.7Y17 F19 F23 V27 E139 A142 F143Y17-L25 HydrophobicContact CD1-CD1 4.26Å; Y17-L25 PolarHBondContact N-O 3.09Å; Y17-L25 PolarHBondContact O-N 3.25Å; F19-L25 HydrophobicContact CE2-CD1 4.18Å; F19-L25 HydrophobicContact CE2-CD2 4.1Å; F19-L25 HydrophobicContact CE2-CG 4.26Å; F23-L25 HydrophobicContact CD1-CD2 4.19Å; F23-L25 HydrophobicContact CD1-CG 4.45Å; F23-L25 HydrophobicContact CE1-CD2 3.81Å; F23-L25 HydrophobicContact CE1-CG 4.36Å; L25-V27 HydrophobicContact CD1-CG2 3.23Å; L25-E139 HydrophobicContact CB-CB 4.18Å; L25-E139 HydrophobicContact CB-CG 4.01Å; L25-A142 HydrophobicContact CD2-CB 3.77Å; L25-F143 HydrophobicContact CD1-CB 4.24Å; L25-F143 HydrophobicContact CD1-CD2 4.29Å; L25-F143 HydrophobicContact CD2-CB 4.29Å
26T92Very high92.6Very high59 Ų5943.8 Ų43.836%0.36226%0.264SS..EExtended strand (participates in β ladder)trans-101.4124.3-178.8-40.90000110.2L15 E139L15-T26 WeakPolarHBondContact O-CA 3.49Å; T26-E139 WeakPolarHBondContact CA-OE2 3.42Å; T26-E139 WeakPolarHBondContact CB-OE2 3.13Å; T26-E139 PolarHBondContact N-OE2 3.43Å; T26-E139 PolarHBondContact OG1-OE2 3.21Å
27V93.9Very high92.7Very high0 Ų039 Ų390%023%0.233CC..EExtended strand (participates in β ladder)trans-124.5139.4-172.8-170.20000110.4S14 L15 Y17 L25 E29 L31 F143S14-V27 CarbonylContact C-O 3.37Å; S14-V27 WeakPolarHBondContact CA-O 3.5Å; S14-V27 WeakPolarHBondContact CB-O 3.26Å; L15-V27 PolarHBondContact N-O 3.41Å; L15-V27 PolarHBondContact O-N 3.07Å; Y17-V27 HydrophobicContact CG-CG2 4.44Å; L25-V27 HydrophobicContact CD1-CG2 3.23Å; V27-E29 PolarHBondContact O-N 3.16Å; V27-L31 HydrophobicContact CG1-CB 3.96Å; V27-F143 HydrophobicContact CB-CD2 4.46Å; V27-F143 HydrophobicContact CB-CG 4.49Å; V27-F143 HydrophobicContact CG1-CB 4.46Å; V27-F143 HydrophobicContact CG1-CD1 3.64Å; V27-F143 HydrophobicContact CG1-CD2 4.06Å; V27-F143 HydrophobicContact CG1-CE1 3.76Å; V27-F143 HydrophobicContact CG1-CE2 4.15Å; V27-F143 HydrophobicContact CG1-CG 3.79Å; V27-F143 HydrophobicContact CG1-CZ 4.01Å; V27-F143 HydrophobicContact CG2-CB 4.03Å; V27-F143 HydrophobicContact CG2-CD1 4.45Å; V27-F143 HydrophobicContact CG2-CD2 3.54Å; V27-F143 HydrophobicContact CG2-CE2 4.06Å; V27-F143 HydrophobicContact CG2-CG 3.75Å
28P95.4Very high92.9Very high2 Ų237.2 Ų37.21%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-51.9131.5167.8-27.335.2000111.9L9 L12 S13 F30 L31 H32 F92L9-P28 HydrophobicContact CD1-CG 3.63Å; L12-P28 HydrophobicContact CB-CB 4.47Å; L12-P28 HydrophobicContact CD1-CB 4.03Å; L12-P28 HydrophobicContact CD1-CG 4.21Å; S13-P28 WeakPolarHBondContact O-CA 3.41Å; P28-F30 PolarHBondContact O-N 3.08Å; P28-F30 VanDerWaalsContact O-N 3.16Å; P28-L31 HydrophobicContact CB-CD1 4.45Å; P28-L31 HydrophobicContact CB-CG 4.41Å; P28-L31 HydrophobicContact CG-CD1 4.19Å; P28-L31 PolarHBondContact O-N 2.99Å; P28-H32 PolarHBondContact O-N 2.94Å; P28-H32 VanDerWaalsContact O-N 3.15Å; P28-F92 HydrophobicContact CB-CZ 4.19Å; P28-F92 HydrophobicContact CG-CZ 4.18Å
29E93.8Very high93.1Very high55 Ų5535.3 Ų35.326%0.25721%0.211SC..Hα-helixtrans-54.3-40.5-175.4-69177.9174.900112.5S13 L15 V27 L31 H32 A33 V68S13-E29 WeakPolarHBondContact CB-OE1 2.97Å; S13-E29 WeakPolarHBondContact CB-OE2 3.4Å; S13-E29 PolarHBondContact O-N 3.01Å; S13-E29 PolarHBondContact OG-OE2 2.95Å; L15-E29 HydrophobicContact CD2-CB 4.46Å; L15-E29 HydrophobicContact CD2-CG 4.06Å; L15-E29 HydrophobicContact CG-CG 4.34Å; V27-E29 PolarHBondContact O-N 3.16Å; E29-L31 PolarHBondContact O-N 3.41Å; E29-H32 PolarHBondContact O-N 3.42Å; E29-A33 PolarHBondContact O-N 3.28Å; E29-V68 HydrophobicContact CB-CG2 4.22Å
30F95Very high93.3Very high1 Ų141.1 Ų41.10%0.00424%0.238CC..Hα-helixtrans-55.4-46.6175.1167.6-99.5000112.8P28 A34 L64 F65 V68 L77 L88 F92P28-F30 PolarHBondContact O-N 3.08Å; P28-F30 VanDerWaalsContact O-N 3.16Å; F30-A34 HydrophobicContact CE2-CB 4.18Å; F30-A34 HydrophobicContact CZ-CB 4.07Å; F30-A34 WeakPolarHBondContact O-CB 3.36Å; F30-A34 PolarHBondContact O-N 3.25Å; F30-L64 HydrophobicContact CD2-CB 4.35Å; F30-F65 AromaticContact CD1-CD1 3.83Å; F30-F65 HydrophobicContact CD1-CD1 3.83Å; F30-F65 HydrophobicContact CD1-CE1 4.28Å; F30-F65 AromaticContact CD2-CD1 3.94Å; F30-F65 HydrophobicContact CD2-CD1 3.94Å; F30-F65 HydrophobicContact CD2-CE1 4.48Å; F30-F65 AromaticContact CE1-CD1 3.82Å; F30-F65 HydrophobicContact CE1-CD1 3.82Å; F30-F65 AromaticContact CE1-CE1 3.78Å; F30-F65 HydrophobicContact CE1-CE1 3.78Å; F30-F65 AromaticContact CE2-CD1 3.92Å; F30-F65 HydrophobicContact CE2-CD1 3.92Å; F30-F65 AromaticContact CE2-CE1 4Å; F30-F65 HydrophobicContact CE2-CE1 4Å; F30-F65 AromaticContact CG-CD1 3.92Å; F30-F65 HydrophobicContact CG-CD1 3.92Å; F30-F65 AromaticContact CZ-CD1 3.88Å; F30-F65 HydrophobicContact CZ-CD1 3.88Å; F30-F65 AromaticContact CZ-CE1 3.64Å; F30-F65 HydrophobicContact CZ-CE1 3.64Å; F30-V68 VanDerWaalsContact CA-CG2 3.43Å; F30-V68 HydrophobicContact CB-CG2 4.1Å; F30-L77 HydrophobicContact CE2-CD2 4.01Å; F30-L88 HydrophobicContact CE2-CD2 3.77Å; F30-L88 HydrophobicContact CE2-CG 4.02Å; F30-L88 HydrophobicContact CZ-CD2 4.06Å; F30-L88 HydrophobicContact CZ-CG 3.82Å; F30-F92 HydrophobicContact CD1-CB 4.23Å; F30-F92 AromaticContact CD1-CD2 3.46Å; F30-F92 HydrophobicContact CD1-CD2 3.46Å; F30-F92 VanDerWaalsContact CD1-CD2 3.46Å; F30-F92 AromaticContact CD1-CE2 3.94Å; F30-F92 HydrophobicContact CD1-CE2 3.94Å; F30-F92 AromaticContact CD1-CG 3.9Å; F30-F92 HydrophobicContact CD1-CG 3.9Å; F30-F92 HydrophobicContact CE1-CB 3.66Å; F30-F92 AromaticContact CE1-CD2 3.81Å; F30-F92 HydrophobicContact CE1-CD2 3.81Å; F30-F92 AromaticContact CE1-CG 3.83Å; F30-F92 HydrophobicContact CE1-CG 3.83Å; F30-F92 HydrophobicContact CG-CD2 4.44Å
31L97Very high93.7Very high0 Ų039.3 Ų39.30%022%0.219CC..Hα-helixtrans-69.3-38.3-179.3-73.1-179000111.3V27 P28 E29 F35 I89 F92 F93 T140 F143V27-L31 HydrophobicContact CG1-CB 3.96Å; P28-L31 HydrophobicContact CB-CD1 4.45Å; P28-L31 HydrophobicContact CB-CG 4.41Å; P28-L31 HydrophobicContact CG-CD1 4.19Å; P28-L31 PolarHBondContact O-N 2.99Å; E29-L31 PolarHBondContact O-N 3.41Å; L31-F35 HydrophobicContact CD2-CE2 4.32Å; L31-F35 WeakPolarHBondContact O-CB 3.34Å; L31-F35 WeakPolarHBondContact O-CD2 3.34Å; L31-F35 PolarHBondContact O-N 3.47Å; L31-I89 HydrophobicContact CD2-CG2 4.5Å; L31-F92 HydrophobicContact CD1-CD1 4.14Å; L31-F92 HydrophobicContact CD1-CE1 3.58Å; L31-F92 HydrophobicContact CD1-CZ 4.11Å; L31-F92 HydrophobicContact CD2-CD1 3.79Å; L31-F92 HydrophobicContact CD2-CE1 4.07Å; L31-F92 HydrophobicContact CD2-CG 4.24Å; L31-F92 HydrophobicContact CG-CD1 4.1Å; L31-F92 HydrophobicContact CG-CE1 3.84Å; L31-F92 HydrophobicContact CG-CZ 4.14Å; L31-F93 HydrophobicContact CD1-CE1 4.05Å; L31-F93 HydrophobicContact CD1-CZ 3.64Å; L31-F93 HydrophobicContact CD2-CE2 3.92Å; L31-F93 HydrophobicContact CD2-CZ 3.78Å; L31-F93 HydrophobicContact CG-CZ 4.4Å; L31-T140 HydrophobicContact CD1-CG2 3.6Å; L31-F143 HydrophobicContact CB-CE1 4.05Å
32H95.6Very high94.2Very high51 Ų5136.7 Ų36.724%0.23620%0.204CC..Hα-helixtrans-59.8-56.6173.9178.8-131.9000110.8L15 Y17 P28 E29 A34 F35 T36L15-H32 HydrophobicContact CD1-CB 3.98Å; L15-H32 HydrophobicContact CD2-CB 4.17Å; L15-H32 WeakPolarHBondContact CD2-ND1 3.46Å; L15-H32 HydrophobicContact CG-CB 4.38Å; Y17-H32 AromaticContact CD2-CD2 3.4Å; Y17-H32 VanDerWaalsContact CD2-CD2 3.4Å; Y17-H32 WeakPolarHBondContact CD2-CD2 3.45Å; Y17-H32 AromaticContact CD2-NE2 3.47Å; Y17-H32 WeakPolarHBondContact CD2-NE2 3.48Å; Y17-H32 AromaticContact CE2-CD2 3.6Å; Y17-H32 AromaticContact CE2-NE2 3.54Å; P28-H32 PolarHBondContact O-N 2.94Å; P28-H32 VanDerWaalsContact O-N 3.15Å; E29-H32 PolarHBondContact O-N 3.42Å; H32-A34 PolarHBondContact O-N 3Å; H32-F35 PolarHBondContact O-N 2.7Å; H32-T36 WeakPolarHBondContact O-CB 3.48Å; H32-T36 PolarHBondContact O-N 3.02Å; H32-T36 PolarHBondContact O-OG1 3.15Å
33A95.4Very high94.6Very high31 Ų3134.7 Ų34.726%0.25618%0.18SC..Hα-helixtrans-59.9-42.6-178.900000112.9E29 L37 V68 L77E29-A33 PolarHBondContact O-N 3.28Å; A33-L37 WeakPolarHBondContact O-CB 3.27Å; A33-L37 PolarHBondContact O-N 3.23Å; A33-L37 VanDerWaalsContact O-N 3.1Å; A33-V68 HydrophobicContact CB-CG1 4.08Å; A33-V68 HydrophobicContact CB-CG2 4.2Å; A33-L77 HydrophobicContact CB-CD1 3.76Å
34A96.9Very high95Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-67.8-39.3-179.900000112.9F30 H32 L38 L77 L85 I89F30-A34 HydrophobicContact CE2-CB 4.18Å; F30-A34 HydrophobicContact CZ-CB 4.07Å; F30-A34 WeakPolarHBondContact O-CB 3.36Å; F30-A34 PolarHBondContact O-N 3.25Å; H32-A34 PolarHBondContact O-N 3Å; A34-L38 VanDerWaalsContact O-CB 3.28Å; A34-L38 WeakPolarHBondContact O-CB 3.2Å; A34-L38 PolarHBondContact O-N 2.98Å; A34-L38 VanDerWaalsContact O-N 3.13Å; A34-L77 HydrophobicContact CB-CD1 4.36Å; A34-L85 HydrophobicContact CB-CD1 4.02Å; A34-I89 HydrophobicContact CB-CD1 4.05Å; A34-I89 HydrophobicContact CB-CG1 3.89Å
35F97.7Very high95.3Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-75.9-34.2177-86.9-76.4000113L31 H32 L38 E39 F49 I89 F143 L144 K147L31-F35 HydrophobicContact CD2-CE2 4.32Å; L31-F35 WeakPolarHBondContact O-CB 3.34Å; L31-F35 WeakPolarHBondContact O-CD2 3.34Å; L31-F35 PolarHBondContact O-N 3.47Å; H32-F35 PolarHBondContact O-N 2.7Å; F35-L38 WeakPolarHBondContact O-CB 3.38Å; F35-L38 PolarHBondContact O-N 3.3Å; F35-E39 WeakPolarHBondContact O-CB 3.48Å; F35-E39 WeakPolarHBondContact O-CG 3.45Å; F35-E39 PolarHBondContact O-N 3.19Å; F35-F49 AromaticContact CE1-CZ 3.93Å; F35-F49 HydrophobicContact CE1-CZ 3.93Å; F35-F49 HydrophobicContact CZ-CZ 4.2Å; F35-I89 HydrophobicContact CD2-CD1 4.41Å; F35-I89 HydrophobicContact CE1-CD1 4.49Å; F35-I89 HydrophobicContact CE2-CD1 4.27Å; F35-I89 HydrophobicContact CE2-CG2 3.79Å; F35-I89 HydrophobicContact CZ-CD1 4.32Å; F35-I89 HydrophobicContact CZ-CG2 3.88Å; F35-F143 HydrophobicContact CB-CE1 4.34Å; F35-F143 HydrophobicContact CB-CZ 4.16Å; F35-F143 AromaticContact CD2-CE1 3.73Å; F35-F143 HydrophobicContact CD2-CE1 3.73Å; F35-F143 HydrophobicContact CD2-CZ 4.39Å; F35-F143 HydrophobicContact CE2-CE1 4.39Å; F35-F143 HydrophobicContact CG-CE1 4.26Å; F35-L144 HydrophobicContact CE2-CD1 4.09Å; F35-L144 HydrophobicContact CZ-CD1 3.76Å; F35-K147 HydrophobicContact CB-CD 4.01Å; F35-K147 HydrophobicContact CB-CG 4.19Å; F35-K147 HydrophobicContact CD1-CB 3.59Å; F35-K147 HydrophobicContact CD1-CD 4.16Å; F35-K147 HydrophobicContact CD1-CG 3.92Å; F35-K147 HydrophobicContact CD2-CG 4.4Å; F35-K147 HydrophobicContact CE1-CB 3.61Å; F35-K147 HydrophobicContact CE1-CG 4.38Å; F35-K147 HydrophobicContact CG-CB 4.07Å; F35-K147 HydrophobicContact CG-CD 4.2Å; F35-K147 HydrophobicContact CG-CG 3.92Å; F35-K147 HydrophobicContact CZ-CB 4.1Å
36T96Very high95.5Very high39 Ų3944.8 Ų44.824%0.23921%0.213CC..Hα-helixtrans-59.9-51.5172.8-60.40000110.7H32 L38 E39 E40H32-T36 WeakPolarHBondContact O-CB 3.48Å; H32-T36 PolarHBondContact O-N 3.02Å; H32-T36 PolarHBondContact O-OG1 3.15Å; T36-L38 VanDerWaalsContact C-N 3.26Å; T36-L38 PolarHBondContact O-N 3.49Å; T36-E39 PolarHBondContact O-N 3.34Å; T36-E40 HydrophobicContact CG2-CG 4.46Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.17Å; T36-E40 WeakPolarHBondContact O-CB 3.35Å; T36-E40 WeakPolarHBondContact O-CG 3.35Å; T36-E40 PolarHBondContact O-N 2.9Å
37L96.1Very high95.6Very high12 Ų1242 Ų426%0.06320%0.196CC..Hα-helixtrans-59.9-35.6176.2-176.466.3000112.8A33 R41 F42 L77 E78 L85A33-L37 WeakPolarHBondContact O-CB 3.27Å; A33-L37 PolarHBondContact O-N 3.23Å; A33-L37 VanDerWaalsContact O-N 3.1Å; L37-R41 HydrophobicContact CD1-CG 4.06Å; L37-R41 PolarHBondContact O-N 3.44Å; L37-F42 HydrophobicContact CD2-CE2 4.48Å; L37-F42 HydrophobicContact CG-CE2 4.21Å; L37-L77 HydrophobicContact CD2-CB 3.81Å; L37-L77 VanDerWaalsContact CD2-O 3.27Å; L37-L77 WeakPolarHBondContact CD2-O 3.41Å; L37-E78 HydrophobicContact CD1-CG 4.41Å; L37-L85 HydrophobicContact CB-CD2 4.29Å; L37-L85 HydrophobicContact CD2-CD1 4.46Å; L37-L85 HydrophobicContact CD2-CD2 4.01Å; L37-L85 HydrophobicContact CG-CD2 4.14Å
38L97Very high95.7Very high1 Ų142 Ų421%0.00520%0.196CC..Hα-helixtrans-66.9-45.1177.2-175.9152.4000112A34 F35 T36 F42 L43 I48 F49 L85 I89 V151A34-L38 VanDerWaalsContact O-CB 3.28Å; A34-L38 WeakPolarHBondContact O-CB 3.2Å; A34-L38 PolarHBondContact O-N 2.98Å; A34-L38 VanDerWaalsContact O-N 3.13Å; F35-L38 WeakPolarHBondContact O-CB 3.38Å; F35-L38 PolarHBondContact O-N 3.3Å; T36-L38 VanDerWaalsContact C-N 3.26Å; T36-L38 PolarHBondContact O-N 3.49Å; L38-F42 CarbonylContact O-C 3.58Å; L38-F42 WeakPolarHBondContact O-CA 3.11Å; L38-F42 PolarHBondContact O-N 3.47Å; L38-L43 HydrophobicContact CD2-CD1 4.38Å; L38-L43 PolarHBondContact O-N 2.89Å; L38-I48 HydrophobicContact CD1-CD1 4.1Å; L38-I48 HydrophobicContact CD2-CD1 3.73Å; L38-I48 HydrophobicContact CG-CD1 3.87Å; L38-F49 HydrophobicContact CD1-CE1 4.36Å; L38-F49 HydrophobicContact CD1-CE2 3.8Å; L38-F49 HydrophobicContact CD1-CZ 3.5Å; L38-F49 VanDerWaalsContact CD1-CZ 3.5Å; L38-L85 HydrophobicContact CB-CD2 4.02Å; L38-I89 HydrophobicContact CD1-CD1 3.87Å; L38-V151 HydrophobicContact CD2-CG2 3.9Å
39E95.6Very high95.8Very high49 Ų4941.9 Ų41.923%0.22920%0.196CC..Hα-helixtrans-67.9-42.1178.6-73.7171.8158.200111.6F35 T36 K147F35-E39 WeakPolarHBondContact O-CB 3.48Å; F35-E39 WeakPolarHBondContact O-CG 3.45Å; F35-E39 PolarHBondContact O-N 3.19Å; T36-E39 PolarHBondContact O-N 3.34Å; E39-K147 WeakPolarHBondContact OE1-CD 3.46Å; E39-K147 IonicContact OE1-NZ 2.72Å; E39-K147 PolarHBondContact OE1-NZ 2.8Å; E39-K147 IonicContact OE2-NZ 2.9Å; E39-K147 PolarHBondContact OE2-NZ 3.16Å
40E95.2Very high96Very high138 Ų13845.1 Ų45.165%0.64521%0.205SC*.Hα-helixtrans-68.5-46.9179.6-72.1174.1179.400113.6T36T36-E40 HydrophobicContact CG2-CG 4.46Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.17Å; T36-E40 WeakPolarHBondContact O-CB 3.35Å; T36-E40 WeakPolarHBondContact O-CG 3.35Å; T36-E40 PolarHBondContact O-N 2.9Å
41R95.3Very high95.9Very high123 Ų12349.2 Ų49.246%0.46422%0.223SC..Hα-helixtrans-110-21.9-167.4-58.9-167.8-172.2171.23.6115L37 E78L37-R41 HydrophobicContact CD1-CG 4.06Å; L37-R41 PolarHBondContact O-N 3.44Å; R41-E78 IonicContact CZ-OE2 2.66Å; R41-E78 VanDerWaalsContact CZ-OE2 3.26Å; R41-E78 IonicContact NH1-OE2 2.7Å; R41-E78 PolarHBondContact NH1-OE2 3.29Å; R41-E78 IonicContact NH2-OE2 2.69Å; R41-E78 PolarHBondContact NH2-OE2 3.01Å
42F96Very high95.7Very high26 Ų2652.9 Ų52.911%0.11425%0.254CS..THydrogen-bonded Turntrans-128.3-6.8-162.4-58.3-47.6000115.9L37 L38 N44 R45 L80 A82 L85L37-F42 HydrophobicContact CD2-CE2 4.48Å; L37-F42 HydrophobicContact CG-CE2 4.21Å; L38-F42 CarbonylContact O-C 3.58Å; L38-F42 WeakPolarHBondContact O-CA 3.11Å; L38-F42 PolarHBondContact O-N 3.47Å; F42-N44 PolarHBondContact O-N 3.42Å; F42-R45 HydrophobicContact CB-CG 4.35Å; F42-R45 HydrophobicContact CD1-CG 4.42Å; F42-R45 VanDerWaalsContact O-CB 3.28Å; F42-R45 WeakPolarHBondContact O-CB 3.38Å; F42-R45 VanDerWaalsContact O-CG 3.32Å; F42-R45 WeakPolarHBondContact O-CG 2.96Å; F42-R45 PolarHBondContact O-N 2.94Å; F42-L80 WeakPolarHBondContact CZ-O 3.24Å; F42-A82 HydrophobicContact CB-CB 3.72Å; F42-A82 HydrophobicContact CD1-CB 3.64Å; F42-A82 HydrophobicContact CD2-CB 4.26Å; F42-A82 HydrophobicContact CE1-CB 4.31Å; F42-A82 HydrophobicContact CG-CB 3.61Å; F42-L85 HydrophobicContact CD2-CD2 3.82Å; F42-L85 HydrophobicContact CE2-CD2 4Å
43L94.3Very high95.6Very high16 Ų1651.2 Ų51.28%0.08425%0.25CS..THydrogen-bonded Turntrans-54.7-29.4-174.1-164.658.2000114.8L38 V151 H154 N158L38-L43 HydrophobicContact CD2-CD1 4.38Å; L38-L43 PolarHBondContact O-N 2.89Å; L43-V151 HydrophobicContact CD1-CB 4.39Å; L43-V151 HydrophobicContact CD1-CG2 3.9Å; L43-H154 HydrophobicContact CD1-CB 4.49Å; L43-H154 HydrophobicContact CG-CB 4.1Å; L43-N158 WeakPolarHBondContact O-CB 3.16Å; L43-N158 PolarHBondContact O-ND2 3.36Å
44N94.4Very high95.4Very high91 Ų9154.3 Ų54.349%0.48726%0.261SS..THydrogen-bonded Turntrans-88.4-2.4-178.6-58.3-16.3000113.7F42 E46 Q157F42-N44 PolarHBondContact O-N 3.42Å; N44-E46 PolarHBondContact O-N 3.47Å; N44-Q157 PolarHBondContact ND2-OE1 3.36Å; N44-Q157 PolarHBondContact OD1-OE1 2.87Å
45R96.5Very high95.1Very high144 Ų14456.9 Ų56.954%0.54328%0.279SS..  trans-76.1119-173.9-66.1-71.8-178.4170.2-1111.7F42 G47 I48 A82 N158F42-R45 HydrophobicContact CB-CG 4.35Å; F42-R45 HydrophobicContact CD1-CG 4.42Å; F42-R45 VanDerWaalsContact O-CB 3.28Å; F42-R45 WeakPolarHBondContact O-CB 3.38Å; F42-R45 VanDerWaalsContact O-CG 3.32Å; F42-R45 WeakPolarHBondContact O-CG 2.96Å; F42-R45 PolarHBondContact O-N 2.94Å; R45-G47 PolarHBondContact O-N 3.08Å; R45-I48 WeakPolarHBondContact O-CB 3.08Å; R45-I48 PolarHBondContact O-N 2.86Å; R45-I48 VanDerWaalsContact O-N 3.14Å; R45-A82 HydrophobicContact CB-CB 4.2Å; R45-A82 HydrophobicContact CG-CB 3.94Å; R45-N158 WeakPolarHBondContact O-CB 3.24Å
46E95.7Very high94.8Very high103 Ų10361.5 Ų61.548%0.48131%0.312SS..THydrogen-bonded Turntrans-56.2125.4-179.9-69.6-161.614700113.7N44 K51 N158 K159N44-E46 PolarHBondContact O-N 3.47Å; E46-K51 WeakPolarHBondContact O-CD 3.31Å; E46-K51 VanDerWaalsContact O-CE 3.26Å; E46-K51 WeakPolarHBondContact O-CE 3.48Å; E46-K51 PolarHBondContact O-NZ 3.49Å; E46-N158 CarbonylContact C-O 3.5Å; E46-N158 WeakPolarHBondContact CA-O 3.22Å; E46-K159 HydrophobicContact CG-CG 4.26Å; E46-K159 WeakPolarHBondContact OE1-CE 3.36Å
47G94Very high94.6Very high0 Ų063 Ų630%032%0.315CS..THydrogen-bonded Turntrans7428.2-178.900000113.9R45 R50 K51 N158R45-G47 PolarHBondContact O-N 3.08Å; G47-R50 WeakPolarHBondContact O-CB 3.5Å; G47-R50 PolarHBondContact O-N 2.77Å; G47-K51 PolarHBondContact O-N 2.68Å; G47-N158 PolarHBondContact N-O 2.65Å
48I96.6Very high94.5Very high0 Ų062.8 Ų62.80%031%0.314CS..THydrogen-bonded Turntrans-47.8141.1167-164.3170.2000111.1L38 R45 R50 C86 V151 N158 M160L38-I48 HydrophobicContact CD1-CD1 4.1Å; L38-I48 HydrophobicContact CD2-CD1 3.73Å; L38-I48 HydrophobicContact CG-CD1 3.87Å; R45-I48 WeakPolarHBondContact O-CB 3.08Å; R45-I48 PolarHBondContact O-N 2.86Å; R45-I48 VanDerWaalsContact O-N 3.14Å; I48-R50 PolarHBondContact O-N 2.69Å; I48-C86 WeakPolarHBondContact CG1-SG 3.46Å; I48-V151 HydrophobicContact CG2-CG1 3.66Å; I48-N158 HydrophobicContact CG2-CB 3.99Å; I48-M160 HydrophobicContact CG2-CB 4.17Å; I48-M160 HydrophobicContact CG2-CG 3.81Å; I48-M160 WeakPolarHBondContact O-CG 3.41Å
49F97.9Very high94.3Very high0 Ų068.9 Ų68.90%034%0.34CS..THydrogen-bonded Turntrans57.9-28.6-166-62.8-75.8000117.9F35 L38 C86 I89 K90 L148 V151 L165 I168 F169F35-F49 AromaticContact CE1-CZ 3.93Å; F35-F49 HydrophobicContact CE1-CZ 3.93Å; F35-F49 HydrophobicContact CZ-CZ 4.2Å; L38-F49 HydrophobicContact CD1-CE1 4.36Å; L38-F49 HydrophobicContact CD1-CE2 3.8Å; L38-F49 HydrophobicContact CD1-CZ 3.5Å; L38-F49 VanDerWaalsContact CD1-CZ 3.5Å; F49-C86 HydrophobicContact CD1-CB 3.62Å; F49-C86 HydrophobicContact CE1-CB 3.94Å; F49-C86 HydrophobicContact CG-CB 4.16Å; F49-C86 PolarHBondContact N-SG 2.7Å; F49-C86 VanDerWaalsContact N-SG 3.41Å; F49-I89 HydrophobicContact CE1-CB 4.21Å; F49-I89 HydrophobicContact CE1-CD1 4.24Å; F49-I89 HydrophobicContact CE1-CG2 4.08Å; F49-I89 HydrophobicContact CZ-CD1 4.23Å; F49-K90 HydrophobicContact CD1-CD 4.34Å; F49-K90 HydrophobicContact CD1-CG 4.27Å; F49-K90 PolarHBondContact O-NZ 3.25Å; F49-L148 HydrophobicContact CE2-CD2 4.21Å; F49-L148 HydrophobicContact CZ-CD2 4.46Å; F49-V151 HydrophobicContact CE2-CG2 4.26Å; F49-L165 HydrophobicContact CB-CD2 4.13Å; F49-L165 HydrophobicContact CD2-CD2 3.88Å; F49-L165 HydrophobicContact CG-CD2 4.35Å; F49-I168 HydrophobicContact CB-CD1 4.38Å; F49-I168 HydrophobicContact CB-CG2 4.37Å; F49-F169 HydrophobicContact CB-CE2 4.26Å; F49-F169 AromaticContact CD1-CE2 3.65Å; F49-F169 HydrophobicContact CD1-CE2 3.65Å; F49-F169 AromaticContact CD1-CZ 3.64Å; F49-F169 HydrophobicContact CD1-CZ 3.64Å; F49-F169 HydrophobicContact CD2-CE2 4.31Å; F49-F169 HydrophobicContact CE1-CE2 4.02Å; F49-F169 AromaticContact CE1-CZ 3.63Å; F49-F169 HydrophobicContact CE1-CZ 3.63Å; F49-F169 AromaticContact CG-CE2 3.81Å; F49-F169 HydrophobicContact CG-CE2 3.81Å; F49-F169 HydrophobicContact CG-CZ 4.27Å; F49-F169 HydrophobicContact CZ-CE2 4.49Å; F49-F169 HydrophobicContact CZ-CZ 4.23Å
50R97.1Very high94Very high123 Ų12368.8 Ų68.846%0.46434%0.344SS..THydrogen-bonded Turntrans-79.4-46.9-178.9-177178.262.2-176.4-5.1113.1G47 I48 M160 I168G47-R50 WeakPolarHBondContact O-CB 3.5Å; G47-R50 PolarHBondContact O-N 2.77Å; I48-R50 PolarHBondContact O-N 2.69Å; R50-M160 HydrophobicContact CB-CE 3.8Å; R50-M160 HydrophobicContact CB-SD 3.66Å; R50-M160 HydrophobicContact CG-SD 4.41Å; R50-I168 HydrophobicContact CB-CD1 3.73Å; R50-I168 HydrophobicContact CG-CD1 4.36Å
51K94.1Very high93.9Very high87 Ų8763.1 Ų63.138%0.37832%0.317SS..SBendtrans-75.1132.4175.9-70.7175.2-178.1163.10108.7E46 G47 F83E46-K51 WeakPolarHBondContact O-CD 3.31Å; E46-K51 VanDerWaalsContact O-CE 3.26Å; E46-K51 WeakPolarHBondContact O-CE 3.48Å; E46-K51 PolarHBondContact O-NZ 3.49Å; G47-K51 PolarHBondContact O-N 2.68Å; K51-F83 HydrophobicContact CB-CD1 3.64Å; K51-F83 HydrophobicContact CB-CE1 3.71Å; K51-F83 HydrophobicContact CB-CG 4.15Å; K51-F83 HydrophobicContact CB-CZ 4.25Å; K51-F83 HydrophobicContact CD-CE1 3.74Å; K51-F83 HydrophobicContact CD-CE2 4.36Å; K51-F83 HydrophobicContact CD-CZ 3.65Å; K51-F83 HydrophobicContact CG-CE1 4.3Å
52A92.6Very high93.7Very high77 Ų7762 Ų6264%0.63631%0.312SS*.  trans-79.3143.8178.800000111.5
53G92.8Very high93.4Very high16 Ų1663.9 Ų63.917%0.16533%0.326CS..  trans-86.4-170.4168.600000112.4S55 D84 D87G53-S55 PolarHBondContact O-N 3.39Å; G53-D84 WeakPolarHBondContact CA-OD1 3.32Å; G53-D87 PolarHBondContact N-OD2 2.8Å
54I92.7Very high93.2Very high96 Ų9663.2 Ų63.249%0.49232%0.323SS..  trans-87.697.2-177.5-57.7177.7000109.1S56 K57 V58 D84I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 WeakPolarHBondContact CG2-OG 3.41Å; I54-S56 PolarHBondContact O-N 2.69Å; I54-S56 VanDerWaalsContact O-N 3.09Å; I54-K57 HydrophobicContact CB-CB 4.03Å; I54-K57 HydrophobicContact CG2-CB 4.01Å; I54-K57 CarbonylContact O-C 3.49Å; I54-K57 WeakPolarHBondContact O-CA 3.26Å; I54-K57 WeakPolarHBondContact O-CB 3.03Å; I54-K57 PolarHBondContact O-N 3.27Å; I54-V58 WeakPolarHBondContact O-CG2 3.48Å; I54-V58 PolarHBondContact O-N 3.34Å; I54-D84 PolarHBondContact N-OD1 3.04Å
55S89.2Confident93.1Very high53 Ų5359 Ų5937%0.37130%0.3SS..Hα-helixtrans-54.1-33.8-174-176.70000115.1G53 K57 V58 K59G53-S55 PolarHBondContact O-N 3.39Å; S55-K57 VanDerWaalsContact C-N 3.34Å; S55-V58 PolarHBondContact O-N 3.24Å; S55-K59 WeakPolarHBondContact O-CG 3.33Å; S55-K59 PolarHBondContact O-N 2.91Å; S55-K59 VanDerWaalsContact O-N 3.12Å
56S90.9Very high92.5Very high98 Ų9856.2 Ų56.269%0.68530%0.301SS*.Hα-helixtrans-67.7-31.6174.246.20000113.2I54 P60I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 WeakPolarHBondContact CG2-OG 3.41Å; I54-S56 PolarHBondContact O-N 2.69Å; I54-S56 VanDerWaalsContact O-N 3.09Å; S56-P60 VanDerWaalsContact O-CD 3.25Å; S56-P60 WeakPolarHBondContact O-CD 3.45Å
57K92.6Very high91.9Very high71 Ų7153.3 Ų53.331%0.30929%0.292SS..Hα-helixtrans-79.5-35.3173.8-174.1-174.3168.9-157.40111.9I54 S55 P60 Y61 N79 D84I54-K57 HydrophobicContact CB-CB 4.03Å; I54-K57 HydrophobicContact CG2-CB 4.01Å; I54-K57 CarbonylContact O-C 3.49Å; I54-K57 WeakPolarHBondContact O-CA 3.26Å; I54-K57 WeakPolarHBondContact O-CB 3.03Å; I54-K57 PolarHBondContact O-N 3.27Å; S55-K57 VanDerWaalsContact C-N 3.34Å; K57-P60 WeakPolarHBondContact O-CD 3.17Å; K57-Y61 HydrophobicContact CG-CE2 4.4Å; K57-Y61 WeakPolarHBondContact O-CD2 3.33Å; K57-Y61 WeakPolarHBondContact O-CE2 3.45Å; K57-N79 PolarHBondContact NZ-O 3.39Å; K57-D84 WeakPolarHBondContact CD-OD2 2.9Å; K57-D84 WeakPolarHBondContact CE-OD2 2.82Å; K57-D84 IonicContact NZ-OD2 2.82Å; K57-D84 PolarHBondContact NZ-OD2 3.4Å
58V93.1Very high91.1Very high6 Ų654.7 Ų54.74%0.03630%0.301CS..Hα-helixtrans-72-43.2-178.2173.30000112.6I54 S55 Y61 D84 D87 L88 L91I54-V58 WeakPolarHBondContact O-CG2 3.48Å; I54-V58 PolarHBondContact O-N 3.34Å; S55-V58 PolarHBondContact O-N 3.24Å; V58-Y61 WeakPolarHBondContact O-CB 3.21Å; V58-Y61 PolarHBondContact O-N 3.27Å; V58-D84 HydrophobicContact CG2-CB 3.83Å; V58-D84 WeakPolarHBondContact CG2-O 3.48Å; V58-D87 HydrophobicContact CG1-CB 4.28Å; V58-D87 HydrophobicContact CG2-CB 4.18Å; V58-L88 HydrophobicContact CG1-CB 3.97Å; V58-L88 HydrophobicContact CG1-CD1 4.02Å; V58-L91 HydrophobicContact CG1-CD2 4.33Å
59K92.8Very high89.9Confident129 Ų12961 Ų6156%0.56134%0.335SS*.G310 helixtrans-54-43.6-173.9-80.2177179.1-169.40115S55 Y61 R62S55-K59 WeakPolarHBondContact O-CG 3.33Å; S55-K59 PolarHBondContact O-N 2.91Å; S55-K59 VanDerWaalsContact O-N 3.12Å; K59-Y61 VanDerWaalsContact C-N 3.26Å; K59-Y61 PolarHBondContact O-N 3.31Å; K59-R62 VanDerWaalsContact O-CG 3.29Å; K59-R62 WeakPolarHBondContact O-CG 3.3Å; K59-R62 PolarHBondContact O-N 3.13Å
60P90.9Very high88.5Confident47 Ų4764.2 Ų64.231%0.30535%0.352SS..G310 helixtrans-59.6-31.5177.1-26.935.5000114.5S56 K57 R62 V63 Y75S56-P60 VanDerWaalsContact O-CD 3.25Å; S56-P60 WeakPolarHBondContact O-CD 3.45Å; K57-P60 WeakPolarHBondContact O-CD 3.17Å; P60-R62 PolarHBondContact O-N 3.19Å; P60-R62 VanDerWaalsContact O-N 3.11Å; P60-V63 WeakPolarHBondContact O-CG2 3.35Å; P60-V63 PolarHBondContact O-N 3.37Å; P60-Y75 HydrophobicContact CB-CD1 4.46Å; P60-Y75 HydrophobicContact CB-CE1 3.59Å; P60-Y75 HydrophobicContact CB-CE2 4.36Å; P60-Y75 WeakPolarHBondContact CB-OH 3.32Å
61Y93.3Very high86.8Confident20 Ų2068 Ų688%0.07837%0.372CS..G310 helixtrans-70.2-7.5-176.3-74.8-111.8000113.8K57 V58 K59 V63 L64 Y75 S76 L80 L88K57-Y61 HydrophobicContact CG-CE2 4.4Å; K57-Y61 WeakPolarHBondContact O-CD2 3.33Å; K57-Y61 WeakPolarHBondContact O-CE2 3.45Å; V58-Y61 WeakPolarHBondContact O-CB 3.21Å; V58-Y61 PolarHBondContact O-N 3.27Å; K59-Y61 VanDerWaalsContact C-N 3.26Å; K59-Y61 PolarHBondContact O-N 3.31Å; Y61-V63 PolarHBondContact O-N 3.24Å; Y61-V63 VanDerWaalsContact O-N 3.08Å; Y61-L64 HydrophobicContact CD1-CD1 3.9Å; Y61-L64 WeakPolarHBondContact O-CB 3.43Å; Y61-L64 WeakPolarHBondContact O-CG 3.41Å; Y61-L64 PolarHBondContact O-N 3.16Å; Y61-Y75 HydrophobicContact CD1-CD1 4.27Å; Y61-Y75 HydrophobicContact CD1-CG 4.46Å; Y61-Y75 AromaticContact CD2-CD1 3.7Å; Y61-Y75 HydrophobicContact CD2-CD1 3.7Å; Y61-Y75 HydrophobicContact CD2-CE1 4.22Å; Y61-Y75 HydrophobicContact CD2-CG 4.47Å; Y61-Y75 HydrophobicContact CE1-CD1 4.09Å; Y61-Y75 AromaticContact CE2-CD1 3.5Å; Y61-Y75 HydrophobicContact CE2-CD1 3.5Å; Y61-Y75 VanDerWaalsContact CE2-CD1 3.5Å; Y61-Y75 HydrophobicContact CE2-CE1 4.03Å; Y61-Y75 HydrophobicContact CG-CD1 4.09Å; Y61-Y75 HydrophobicContact CG-CG 4.44Å; Y61-Y75 AromaticContact CZ-CD1 3.71Å; Y61-S76 WeakPolarHBondContact CE1-O 3.49Å; Y61-L80 HydrophobicContact CD1-CD1 3.77Å; Y61-L80 HydrophobicContact CD1-CD2 3.8Å; Y61-L80 HydrophobicContact CD1-CG 3.9Å; Y61-L80 HydrophobicContact CD2-CD2 4.03Å; Y61-L80 HydrophobicContact CE1-CD1 4.07Å; Y61-L80 HydrophobicContact CE1-CD2 3.44Å; Y61-L80 VanDerWaalsContact CE1-CD2 3.44Å; Y61-L80 HydrophobicContact CE1-CG 3.66Å; Y61-L80 HydrophobicContact CE2-CD2 3.71Å; Y61-L80 HydrophobicContact CG-CD1 4.26Å; Y61-L80 HydrophobicContact CG-CD2 4.08Å; Y61-L80 VanDerWaalsContact CZ-CD2 3.4Å; Y61-L88 HydrophobicContact CG-CD2 4.48Å
62R90.8Very high85.3Confident98 Ų9870.9 Ų70.937%0.3739%0.387SS..G310 helixtrans-57.4-21.2173.776.2-177.3-173.7159.43.1113.6P4 K59 P60 L64 F65P4-R62 VanDerWaalsContact CB-NH1 3.32Å; K59-R62 VanDerWaalsContact O-CG 3.29Å; K59-R62 WeakPolarHBondContact O-CG 3.3Å; K59-R62 PolarHBondContact O-N 3.13Å; P60-R62 PolarHBondContact O-N 3.19Å; P60-R62 VanDerWaalsContact O-N 3.11Å; R62-L64 PolarHBondContact O-N 2.87Å; R62-L64 VanDerWaalsContact O-N 3.16Å; R62-F65 HydrophobicContact CB-CD2 3.87Å; R62-F65 HydrophobicContact CB-CE2 3.55Å; R62-F65 HydrophobicContact CB-CZ 3.96Å; R62-F65 VanDerWaalsContact O-CB 3.31Å; R62-F65 WeakPolarHBondContact O-CB 3.39Å; R62-F65 WeakPolarHBondContact O-CD2 3.13Å; R62-F65 WeakPolarHBondContact O-CG 3.37Å; R62-F65 PolarHBondContact O-N 3.48Å
63V88.8Confident84.3Confident67 Ų6768.5 Ų68.541%0.40637%0.365SS..G310 helixtrans-59.2-22.9174.1-60.40000112.8P60 Y61 F65 Y75P60-V63 WeakPolarHBondContact O-CG2 3.35Å; P60-V63 PolarHBondContact O-N 3.37Å; Y61-V63 PolarHBondContact O-N 3.24Å; Y61-V63 VanDerWaalsContact O-N 3.08Å; V63-F65 VanDerWaalsContact C-N 3.3Å; V63-F65 PolarHBondContact O-N 3.5Å; V63-Y75 HydrophobicContact CG2-CD2 3.61Å; V63-Y75 HydrophobicContact CG2-CE2 4.21Å; V63-Y75 HydrophobicContact CG2-CG 4.38Å
64L90.7Very high83.8Confident1 Ų171 Ų711%0.00539%0.391CS..G310 helixtrans-78.5-8.9177.5-57.1178.1000113.6F30 Y61 R62 C66 S67 L77F30-L64 HydrophobicContact CD2-CB 4.35Å; Y61-L64 HydrophobicContact CD1-CD1 3.9Å; Y61-L64 WeakPolarHBondContact O-CB 3.43Å; Y61-L64 WeakPolarHBondContact O-CG 3.41Å; Y61-L64 PolarHBondContact O-N 3.16Å; R62-L64 PolarHBondContact O-N 2.87Å; R62-L64 VanDerWaalsContact O-N 3.16Å; L64-C66 VanDerWaalsContact C-N 3.3Å; L64-C66 PolarHBondContact O-N 3.43Å; L64-S67 CarbonylContact O-C 3.52Å; L64-L77 HydrophobicContact CD1-CD2 3.63Å; L64-L77 HydrophobicContact CD1-CG 4.03Å
65F91.8Very high83.5Confident4 Ų470.8 Ų70.82%0.01838%0.384CS..G310 helixtrans-63.6-35.2-180-64.6-18.4000112.7V7 L12 F30 R62 V63 L88 L91 F92V7-F65 HydrophobicContact CG2-CD2 3.83Å; L12-F65 WeakPolarHBondContact CD2-O 3.39Å; F30-F65 AromaticContact CD1-CD1 3.83Å; F30-F65 HydrophobicContact CD1-CD1 3.83Å; F30-F65 HydrophobicContact CD1-CE1 4.28Å; F30-F65 AromaticContact CD2-CD1 3.94Å; F30-F65 HydrophobicContact CD2-CD1 3.94Å; F30-F65 HydrophobicContact CD2-CE1 4.48Å; F30-F65 AromaticContact CE1-CD1 3.82Å; F30-F65 HydrophobicContact CE1-CD1 3.82Å; F30-F65 AromaticContact CE1-CE1 3.78Å; F30-F65 HydrophobicContact CE1-CE1 3.78Å; F30-F65 AromaticContact CE2-CD1 3.92Å; F30-F65 HydrophobicContact CE2-CD1 3.92Å; F30-F65 AromaticContact CE2-CE1 4Å; F30-F65 HydrophobicContact CE2-CE1 4Å; F30-F65 AromaticContact CG-CD1 3.92Å; F30-F65 HydrophobicContact CG-CD1 3.92Å; F30-F65 AromaticContact CZ-CD1 3.88Å; F30-F65 HydrophobicContact CZ-CD1 3.88Å; F30-F65 AromaticContact CZ-CE1 3.64Å; F30-F65 HydrophobicContact CZ-CE1 3.64Å; R62-F65 HydrophobicContact CB-CD2 3.87Å; R62-F65 HydrophobicContact CB-CE2 3.55Å; R62-F65 HydrophobicContact CB-CZ 3.96Å; R62-F65 VanDerWaalsContact O-CB 3.31Å; R62-F65 WeakPolarHBondContact O-CB 3.39Å; R62-F65 WeakPolarHBondContact O-CD2 3.13Å; R62-F65 WeakPolarHBondContact O-CG 3.37Å; R62-F65 PolarHBondContact O-N 3.48Å; V63-F65 VanDerWaalsContact C-N 3.3Å; V63-F65 PolarHBondContact O-N 3.5Å; F65-L88 HydrophobicContact CE1-CD1 3.64Å; F65-L88 HydrophobicContact CE1-CG 3.96Å; F65-L88 HydrophobicContact CZ-CD1 3.83Å; F65-L91 HydrophobicContact CE2-CG 4.39Å; F65-L91 HydrophobicContact CZ-CB 4.22Å; F65-L91 HydrophobicContact CZ-CD2 4.3Å; F65-L91 HydrophobicContact CZ-CG 4.09Å; F65-F92 HydrophobicContact CB-CD2 4.12Å; F65-F92 HydrophobicContact CB-CE2 4.4Å; F65-F92 HydrophobicContact CD1-CB 4.24Å; F65-F92 AromaticContact CD1-CD2 3.75Å; F65-F92 HydrophobicContact CD1-CD2 3.75Å; F65-F92 HydrophobicContact CD1-CG 4.5Å; F65-F92 HydrophobicContact CD2-CD2 4.29Å; F65-F92 HydrophobicContact CE1-CB 3.77Å; F65-F92 HydrophobicContact CE1-CD2 4.17Å; F65-F92 HydrophobicContact CE1-CG 4.5Å; F65-F92 HydrophobicContact CE2-CB 4.38Å; F65-F92 AromaticContact CG-CD2 3.81Å; F65-F92 HydrophobicContact CG-CD2 3.81Å; F65-F92 HydrophobicContact CZ-CB 3.86Å
66C85.4Confident83.5Confident84 Ų8470.6 Ų70.657%0.56838%0.383SS*.SBendtrans-89.4-24.9-179.4-58.40000113.8S13 L64S13-C66 PolarHBondContact OG-O 3.48Å; L64-C66 VanDerWaalsContact C-N 3.3Å; L64-C66 PolarHBondContact O-N 3.43Å
67S81.1Confident83.6Confident42 Ų4266.4 Ų66.429%0.29435%0.353SS..  trans-164120.1174.7-177.30000110.1L64L64-S67 CarbonylContact O-C 3.52Å
68V78.4Confident83.5Confident30 Ų3068.3 Ų68.318%0.18236%0.363CS..THydrogen-bonded Turntrans-71.6-35.1178.6-172.10000111.1E29 F30 A33 N70 L77E29-V68 HydrophobicContact CB-CG2 4.22Å; F30-V68 VanDerWaalsContact CA-CG2 3.43Å; F30-V68 HydrophobicContact CB-CG2 4.1Å; A33-V68 HydrophobicContact CB-CG1 4.08Å; A33-V68 HydrophobicContact CB-CG2 4.2Å; V68-N70 PolarHBondContact O-N 3.28Å; V68-L77 HydrophobicContact CG1-CD1 3.99Å; V68-L77 HydrophobicContact CG1-CG 4.48Å
69N70.9Confident83.4Confident133 Ų13372.8 Ų72.871%0.71139%0.387SS*.THydrogen-bonded Turntrans-84.915-174.7-69.4-25.9000113.8K71N69-K71 VanDerWaalsContact C-N 3.28Å; N69-K71 PolarHBondContact O-N 3.09Å
70N68.3Low83.5Confident66 Ų6666.9 Ų66.935%0.35336%0.361SS..  trans-73.581.9178.4-169.5-5.8000111.3V68 Q72 S73V68-N70 PolarHBondContact O-N 3.28Å; N70-Q72 PolarHBondContact O-N 3.41Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.37Å; N70-Q72 PolarHBondContact OD1-N 3.13Å; N70-S73 WeakPolarHBondContact O-CB 3.42Å; N70-S73 PolarHBondContact O-N 3.29Å; N70-S73 PolarHBondContact O-OG 3.05Å
71K61.8Low83.7Confident203 Ų20367.6 Ų67.688%0.88336%0.362SS*.G310 helixtrans-51.2-26.7177.3-66.4-175.6178.7-178.20113.4N69 S73N69-K71 VanDerWaalsContact C-N 3.28Å; N69-K71 PolarHBondContact O-N 3.09Å; K71-S73 PolarHBondContact O-N 3.11Å
72Q61.7Low83.8Confident148 Ų14866.9 Ų66.969%0.69236%0.361SS*.G310 helixtrans-71.7-15.5179.7-46.8-155.5-79.200113.3N70N70-Q72 PolarHBondContact O-N 3.41Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.37Å; N70-Q72 PolarHBondContact OD1-N 3.13Å
73S72.4Confident84.1Confident27 Ų2764.8 Ų64.819%0.18936%0.355CS..G310 helixtrans-81.2-23.6-175.573.30000114.2N70 K71 Y75N70-S73 WeakPolarHBondContact O-CB 3.42Å; N70-S73 PolarHBondContact O-N 3.29Å; N70-S73 PolarHBondContact O-OG 3.05Å; K71-S73 PolarHBondContact O-N 3.11Å; S73-Y75 WeakPolarHBondContact O-CD2 3.11Å; S73-Y75 WeakPolarHBondContact O-CE2 3.35Å; S73-Y75 PolarHBondContact O-N 3.34Å; S73-Y75 PolarHBondContact OG-N 3.33Å
74G81.4Confident84.5Confident68 Ų6861.6 Ų61.670%0.70134%0.335SS*.  trans71.3-1.3-174.300000115.5
75Y87.3Confident84.8Confident91 Ų9161.6 Ų61.636%0.35734%0.335SS..  trans-97.8131.8178.6-59.7-77.4000110.7P60 Y61 V63 S73P60-Y75 HydrophobicContact CB-CD1 4.46Å; P60-Y75 HydrophobicContact CB-CE1 3.59Å; P60-Y75 HydrophobicContact CB-CE2 4.36Å; P60-Y75 WeakPolarHBondContact CB-OH 3.32Å; Y61-Y75 HydrophobicContact CD1-CD1 4.27Å; Y61-Y75 HydrophobicContact CD1-CG 4.46Å; Y61-Y75 AromaticContact CD2-CD1 3.7Å; Y61-Y75 HydrophobicContact CD2-CD1 3.7Å; Y61-Y75 HydrophobicContact CD2-CE1 4.22Å; Y61-Y75 HydrophobicContact CD2-CG 4.47Å; Y61-Y75 HydrophobicContact CE1-CD1 4.09Å; Y61-Y75 AromaticContact CE2-CD1 3.5Å; Y61-Y75 HydrophobicContact CE2-CD1 3.5Å; Y61-Y75 VanDerWaalsContact CE2-CD1 3.5Å; Y61-Y75 HydrophobicContact CE2-CE1 4.03Å; Y61-Y75 HydrophobicContact CG-CD1 4.09Å; Y61-Y75 HydrophobicContact CG-CG 4.44Å; Y61-Y75 AromaticContact CZ-CD1 3.71Å; V63-Y75 HydrophobicContact CG2-CD2 3.61Å; V63-Y75 HydrophobicContact CG2-CE2 4.21Å; V63-Y75 HydrophobicContact CG2-CG 4.38Å; S73-Y75 WeakPolarHBondContact O-CD2 3.11Å; S73-Y75 WeakPolarHBondContact O-CE2 3.35Å; S73-Y75 PolarHBondContact O-N 3.34Å; S73-Y75 PolarHBondContact OG-N 3.33Å
76S89.8Confident85.1Confident49 Ų4961.4 Ų61.434%0.34333%0.334SS..  trans-128.4134.5172.61740000109.9Y61 E78 N79Y61-S76 WeakPolarHBondContact CE1-O 3.49Å; S76-E78 PolarHBondContact O-N 2.97Å; S76-E78 VanDerWaalsContact O-N 3.11Å; S76-E78 PolarHBondContact OG-N 3.49Å; S76-N79 WeakPolarHBondContact O-CB 3.49Å; S76-N79 PolarHBondContact O-N 3.32Å
77L92.2Very high85.7Confident11 Ų1158.8 Ų58.86%0.05831%0.314CS..G310 helixtrans-56.7-28.9-179.5-63.3177.1000112.5F30 A33 A34 L37 L64 V68 N79 L80 L85 L88F30-L77 HydrophobicContact CE2-CD2 4.01Å; A33-L77 HydrophobicContact CB-CD1 3.76Å; A34-L77 HydrophobicContact CB-CD1 4.36Å; L37-L77 HydrophobicContact CD2-CB 3.81Å; L37-L77 VanDerWaalsContact CD2-O 3.27Å; L37-L77 WeakPolarHBondContact CD2-O 3.41Å; L64-L77 HydrophobicContact CD1-CD2 3.63Å; L64-L77 HydrophobicContact CD1-CG 4.03Å; V68-L77 HydrophobicContact CG1-CD1 3.99Å; V68-L77 HydrophobicContact CG1-CG 4.48Å; L77-N79 PolarHBondContact O-N 2.89Å; L77-L80 HydrophobicContact CD2-CD1 4.31Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 3.46Å; L77-L80 VanDerWaalsContact O-N 3.12Å; L77-L85 HydrophobicContact CD2-CD1 4.3Å; L77-L88 HydrophobicContact CD2-CD2 3.84Å
78E90.9Very high86.4Confident111 Ų11156.8 Ų56.852%0.51930%0.301SS..G310 helixtrans-63.3-22.9178.2-62.2-164.1-127.200114L37 R41 S76 L80L37-E78 HydrophobicContact CD1-CG 4.41Å; R41-E78 IonicContact CZ-OE2 2.66Å; R41-E78 VanDerWaalsContact CZ-OE2 3.26Å; R41-E78 IonicContact NH1-OE2 2.7Å; R41-E78 PolarHBondContact NH1-OE2 3.29Å; R41-E78 IonicContact NH2-OE2 2.69Å; R41-E78 PolarHBondContact NH2-OE2 3.01Å; S76-E78 PolarHBondContact O-N 2.97Å; S76-E78 VanDerWaalsContact O-N 3.11Å; S76-E78 PolarHBondContact OG-N 3.49Å; E78-L80 PolarHBondContact O-N 2.89Å
79N91.8Very high87.4Confident100 Ų10055.3 Ų55.354%0.53529%0.292SS..G310 helixtrans-81.10178.3-61.9-17.8000112.8K57 S76 L77K57-N79 PolarHBondContact NZ-O 3.39Å; S76-N79 WeakPolarHBondContact O-CB 3.49Å; S76-N79 PolarHBondContact O-N 3.32Å; L77-N79 PolarHBondContact O-N 2.89Å
80L93.8Very high88.6Confident5 Ų550.3 Ų50.33%0.02626%0.264CS..SBendtrans-93.6142177.6-60.7-176000111.3F42 Y61 L77 E78 D84 L85 L88F42-L80 WeakPolarHBondContact CZ-O 3.24Å; Y61-L80 HydrophobicContact CD1-CD1 3.77Å; Y61-L80 HydrophobicContact CD1-CD2 3.8Å; Y61-L80 HydrophobicContact CD1-CG 3.9Å; Y61-L80 HydrophobicContact CD2-CD2 4.03Å; Y61-L80 HydrophobicContact CE1-CD1 4.07Å; Y61-L80 HydrophobicContact CE1-CD2 3.44Å; Y61-L80 VanDerWaalsContact CE1-CD2 3.44Å; Y61-L80 HydrophobicContact CE1-CG 3.66Å; Y61-L80 HydrophobicContact CE2-CD2 3.71Å; Y61-L80 HydrophobicContact CG-CD1 4.26Å; Y61-L80 HydrophobicContact CG-CD2 4.08Å; Y61-L80 VanDerWaalsContact CZ-CD2 3.4Å; L77-L80 HydrophobicContact CD2-CD1 4.31Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 3.46Å; L77-L80 VanDerWaalsContact O-N 3.12Å; E78-L80 PolarHBondContact O-N 2.89Å; L80-D84 HydrophobicContact CB-CB 4.07Å; L80-D84 HydrophobicContact CD2-CB 3.98Å; L80-D84 HydrophobicContact CG-CB 4.47Å; L80-L85 HydrophobicContact CB-CB 4.28Å; L80-L85 HydrophobicContact CD1-CD1 4.17Å; L80-L88 HydrophobicContact CD1-CD2 3.66Å
81N95Very high89.9Confident61 Ų6148 Ų4833%0.32625%0.251SS..  trans-79.9168.8165.472.152.4000110F83 D84 L85N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 3.04Å; N81-F83 VanDerWaalsContact O-N 3.16Å; N81-F83 WeakPolarHBondContact OD1-CA 3.35Å; N81-F83 PolarHBondContact OD1-N 2.93Å; N81-D84 VanDerWaalsContact CG-CG 3.49Å; N81-D84 PolarHBondContact N-OD2 2.95Å; N81-D84 PolarHBondContact ND2-OD1 3Å; N81-D84 PolarHBondContact ND2-OD2 3.14Å; N81-D84 PolarHBondContact O-N 3.34Å; N81-D84 PolarHBondContact OD1-N 2.87Å; N81-L85 WeakPolarHBondContact O-CB 3.49Å; N81-L85 PolarHBondContact O-N 3.45Å
82A94.8Very high91.6Very high5 Ų538.4 Ų38.44%0.04121%0.209CC..Hα-helixtrans-49-42.6179.500000114.5F42 R45 C86F42-A82 HydrophobicContact CB-CB 3.72Å; F42-A82 HydrophobicContact CD1-CB 3.64Å; F42-A82 HydrophobicContact CD2-CB 4.26Å; F42-A82 HydrophobicContact CE1-CB 4.31Å; F42-A82 HydrophobicContact CG-CB 3.61Å; R45-A82 HydrophobicContact CB-CB 4.2Å; R45-A82 HydrophobicContact CG-CB 3.94Å; A82-C86 WeakPolarHBondContact O-CB 3.3Å; A82-C86 PolarHBondContact O-N 2.79Å; A82-C86 PolarHBondContact O-SG 3.03Å
83F97.6Very high93.3Very high55 Ų5531.4 Ų31.424%0.24118%0.177CC..Hα-helixtrans-79.1-37.7-175.3-48.8-52.5000111.7K51 N81 C86 D87K51-F83 HydrophobicContact CB-CD1 3.64Å; K51-F83 HydrophobicContact CB-CE1 3.71Å; K51-F83 HydrophobicContact CB-CG 4.15Å; K51-F83 HydrophobicContact CB-CZ 4.25Å; K51-F83 HydrophobicContact CD-CE1 3.74Å; K51-F83 HydrophobicContact CD-CE2 4.36Å; K51-F83 HydrophobicContact CD-CZ 3.65Å; K51-F83 HydrophobicContact CG-CE1 4.3Å; N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 3.04Å; N81-F83 VanDerWaalsContact O-N 3.16Å; N81-F83 WeakPolarHBondContact OD1-CA 3.35Å; N81-F83 PolarHBondContact OD1-N 2.93Å; F83-C86 PolarHBondContact O-N 3.37Å; F83-D87 WeakPolarHBondContact O-CB 3.48Å; F83-D87 PolarHBondContact O-N 3.04Å
84D96.9Very high94.3Very high0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-60.1-45.8171.7-61.4-21.9000110.8G53 I54 K57 V58 L80 N81 D87 L88G53-D84 WeakPolarHBondContact CA-OD1 3.32Å; I54-D84 PolarHBondContact N-OD1 3.04Å; K57-D84 WeakPolarHBondContact CD-OD2 2.9Å; K57-D84 WeakPolarHBondContact CE-OD2 2.82Å; K57-D84 IonicContact NZ-OD2 2.82Å; K57-D84 PolarHBondContact NZ-OD2 3.4Å; V58-D84 HydrophobicContact CG2-CB 3.83Å; V58-D84 WeakPolarHBondContact CG2-O 3.48Å; L80-D84 HydrophobicContact CB-CB 4.07Å; L80-D84 HydrophobicContact CD2-CB 3.98Å; L80-D84 HydrophobicContact CG-CB 4.47Å; N81-D84 VanDerWaalsContact CG-CG 3.49Å; N81-D84 PolarHBondContact N-OD2 2.95Å; N81-D84 PolarHBondContact ND2-OD1 3Å; N81-D84 PolarHBondContact ND2-OD2 3.14Å; N81-D84 PolarHBondContact O-N 3.34Å; N81-D84 PolarHBondContact OD1-N 2.87Å; D84-D87 PolarHBondContact O-N 3.14Å; D84-L88 WeakPolarHBondContact O-CB 3.38Å; D84-L88 PolarHBondContact O-N 3.19Å
85L97.4Very high94.8Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-64.7-43.9178.5-175.567000111.8A34 L37 L38 F42 L77 L80 N81 D87 L88 I89A34-L85 HydrophobicContact CB-CD1 4.02Å; L37-L85 HydrophobicContact CB-CD2 4.29Å; L37-L85 HydrophobicContact CD2-CD1 4.46Å; L37-L85 HydrophobicContact CD2-CD2 4.01Å; L37-L85 HydrophobicContact CG-CD2 4.14Å; L38-L85 HydrophobicContact CB-CD2 4.02Å; F42-L85 HydrophobicContact CD2-CD2 3.82Å; F42-L85 HydrophobicContact CE2-CD2 4Å; L77-L85 HydrophobicContact CD2-CD1 4.3Å; L80-L85 HydrophobicContact CB-CB 4.28Å; L80-L85 HydrophobicContact CD1-CD1 4.17Å; N81-L85 WeakPolarHBondContact O-CB 3.49Å; N81-L85 PolarHBondContact O-N 3.45Å; L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 3.05Å; L85-L88 WeakPolarHBondContact O-CB 3.22Å; L85-L88 PolarHBondContact O-N 3.11Å; L85-I89 HydrophobicContact CG-CD1 4.39Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.33Å
86C98Very high95.1Very high0 Ų030.9 Ų30.90%015%0.151CC..Hα-helixtrans-61.5-40.6174.7-73.40000112.7I48 F49 A82 F83 L88 K90I48-C86 WeakPolarHBondContact CG1-SG 3.46Å; F49-C86 HydrophobicContact CD1-CB 3.62Å; F49-C86 HydrophobicContact CE1-CB 3.94Å; F49-C86 HydrophobicContact CG-CB 4.16Å; F49-C86 PolarHBondContact N-SG 2.7Å; F49-C86 VanDerWaalsContact N-SG 3.41Å; A82-C86 WeakPolarHBondContact O-CB 3.3Å; A82-C86 PolarHBondContact O-N 2.79Å; A82-C86 PolarHBondContact O-SG 3.03Å; F83-C86 PolarHBondContact O-N 3.37Å; C86-L88 VanDerWaalsContact C-N 3.34Å; C86-K90 VanDerWaalsContact O-CE 3.3Å; C86-K90 WeakPolarHBondContact O-CE 3.45Å; C86-K90 WeakPolarHBondContact O-CG 3.5Å; C86-K90 PolarHBondContact O-N 3.06Å
87D97.8Very high95.1Very high29 Ų2933.2 Ų33.216%0.15516%0.157CC..Hα-helixtrans-68.3-33.8175.5-83.61.6000111.8G53 V58 F83 D84 L85 K90 L91G53-D87 PolarHBondContact N-OD2 2.8Å; V58-D87 HydrophobicContact CG1-CB 4.28Å; V58-D87 HydrophobicContact CG2-CB 4.18Å; F83-D87 WeakPolarHBondContact O-CB 3.48Å; F83-D87 PolarHBondContact O-N 3.04Å; D84-D87 PolarHBondContact O-N 3.14Å; L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 3.05Å; D87-K90 PolarHBondContact O-N 3.19Å; D87-K90 WeakPolarHBondContact OD1-CE 3.46Å; D87-K90 IonicContact OD1-NZ 2.77Å; D87-K90 PolarHBondContact OD1-NZ 3.31Å; D87-L91 VanDerWaalsContact O-CB 3.29Å; D87-L91 WeakPolarHBondContact O-CB 3.32Å; D87-L91 PolarHBondContact O-N 2.85Å
88L96.9Very high95.1Very high0 Ų036 Ų360%017%0.17CC..Hα-helixtrans-67-42174.1-170.562.4000112.2F30 V58 Y61 F65 L77 L80 D84 L85 C86 L91 F92F30-L88 HydrophobicContact CE2-CD2 3.77Å; F30-L88 HydrophobicContact CE2-CG 4.02Å; F30-L88 HydrophobicContact CZ-CD2 4.06Å; F30-L88 HydrophobicContact CZ-CG 3.82Å; V58-L88 HydrophobicContact CG1-CB 3.97Å; V58-L88 HydrophobicContact CG1-CD1 4.02Å; Y61-L88 HydrophobicContact CG-CD2 4.48Å; F65-L88 HydrophobicContact CE1-CD1 3.64Å; F65-L88 HydrophobicContact CE1-CG 3.96Å; F65-L88 HydrophobicContact CZ-CD1 3.83Å; L77-L88 HydrophobicContact CD2-CD2 3.84Å; L80-L88 HydrophobicContact CD1-CD2 3.66Å; D84-L88 WeakPolarHBondContact O-CB 3.38Å; D84-L88 PolarHBondContact O-N 3.19Å; L85-L88 WeakPolarHBondContact O-CB 3.22Å; L85-L88 PolarHBondContact O-N 3.11Å; C86-L88 VanDerWaalsContact C-N 3.34Å; L88-L91 HydrophobicContact CD1-CD2 4.41Å; L88-L91 WeakPolarHBondContact O-CB 3.37Å; L88-L91 PolarHBondContact O-N 3.32Å; L88-F92 PolarHBondContact O-N 3.31Å
89I97.9Very high95.3Very high0 Ų030.8 Ų30.80%015%0.145CC..Hα-helixtrans-61.6-44.8173.2-67.1165.4000110.6L31 A34 F35 L38 F49 L85 L91 F92 F93L31-I89 HydrophobicContact CD2-CG2 4.5Å; A34-I89 HydrophobicContact CB-CD1 4.05Å; A34-I89 HydrophobicContact CB-CG1 3.89Å; F35-I89 HydrophobicContact CD2-CD1 4.41Å; F35-I89 HydrophobicContact CE1-CD1 4.49Å; F35-I89 HydrophobicContact CE2-CD1 4.27Å; F35-I89 HydrophobicContact CE2-CG2 3.79Å; F35-I89 HydrophobicContact CZ-CD1 4.32Å; F35-I89 HydrophobicContact CZ-CG2 3.88Å; L38-I89 HydrophobicContact CD1-CD1 3.87Å; F49-I89 HydrophobicContact CE1-CB 4.21Å; F49-I89 HydrophobicContact CE1-CD1 4.24Å; F49-I89 HydrophobicContact CE1-CG2 4.08Å; F49-I89 HydrophobicContact CZ-CD1 4.23Å; L85-I89 HydrophobicContact CG-CD1 4.39Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.33Å; I89-L91 VanDerWaalsContact C-N 3.29Å; I89-L91 PolarHBondContact O-N 2.9Å; I89-F92 WeakPolarHBondContact O-CB 3.36Å; I89-F92 PolarHBondContact O-N 3.09Å; I89-F93 HydrophobicContact CG2-CD2 4.32Å; I89-F93 HydrophobicContact CG2-CE2 3.9Å; I89-F93 WeakPolarHBondContact O-CD2 3.2Å; I89-F93 PolarHBondContact O-N 3.4Å
90K97.5Very high95.5Very high27 Ų2726 Ų2612%0.11712%0.12CC..Hα-helixtrans-66.3-30.7174.9-69.8177.3-61.5179.70112.5F49 C86 D87 R94 I168 F169 V172F49-K90 HydrophobicContact CD1-CD 4.34Å; F49-K90 HydrophobicContact CD1-CG 4.27Å; F49-K90 PolarHBondContact O-NZ 3.25Å; C86-K90 VanDerWaalsContact O-CE 3.3Å; C86-K90 WeakPolarHBondContact O-CE 3.45Å; C86-K90 WeakPolarHBondContact O-CG 3.5Å; C86-K90 PolarHBondContact O-N 3.06Å; D87-K90 PolarHBondContact O-N 3.19Å; D87-K90 WeakPolarHBondContact OD1-CE 3.46Å; D87-K90 IonicContact OD1-NZ 2.77Å; D87-K90 PolarHBondContact OD1-NZ 3.31Å; K90-R94 WeakPolarHBondContact O-CB 3.39Å; K90-R94 WeakPolarHBondContact O-CG 3.39Å; K90-R94 PolarHBondContact O-N 3.11Å; K90-I168 HydrophobicContact CD-CG2 3.75Å; K90-F169 HydrophobicContact CG-CE1 4.3Å; K90-F169 HydrophobicContact CG-CZ 4.1Å; K90-V172 HydrophobicContact CB-CG1 4.26Å; K90-V172 HydrophobicContact CB-CG2 4.07Å; K90-V172 HydrophobicContact CD-CG2 4.29Å; K90-V172 HydrophobicContact CG-CG1 4.43Å; K90-V172 HydrophobicContact CG-CG2 4.07Å
91L95.7Very high95.6Very high19 Ų1925.8 Ų25.810%0.09912%0.119CC..Hα-helixtrans-67.7-43.7175.7-175.861.9000111.2V58 F65 D87 L88 I89 F93 R94 E95V58-L91 HydrophobicContact CG1-CD2 4.33Å; F65-L91 HydrophobicContact CE2-CG 4.39Å; F65-L91 HydrophobicContact CZ-CB 4.22Å; F65-L91 HydrophobicContact CZ-CD2 4.3Å; F65-L91 HydrophobicContact CZ-CG 4.09Å; D87-L91 VanDerWaalsContact O-CB 3.29Å; D87-L91 WeakPolarHBondContact O-CB 3.32Å; D87-L91 PolarHBondContact O-N 2.85Å; L88-L91 HydrophobicContact CD1-CD2 4.41Å; L88-L91 WeakPolarHBondContact O-CB 3.37Å; L88-L91 PolarHBondContact O-N 3.32Å; I89-L91 VanDerWaalsContact C-N 3.29Å; I89-L91 PolarHBondContact O-N 2.9Å; L91-F93 PolarHBondContact O-N 3.3Å; L91-R94 VanDerWaalsContact CD1-NH1 3.26Å; L91-R94 CarbonylContact O-C 3.54Å; L91-R94 PolarHBondContact O-N 3.19Å; L91-R94 VanDerWaalsContact O-N 3.11Å; L91-E95 HydrophobicContact CD1-CG 3.88Å; L91-E95 WeakPolarHBondContact CD1-OE1 3.05Å; L91-E95 HydrophobicContact CG-CG 4.26Å; L91-E95 PolarHBondContact O-N 2.63Å
92F96.5Very high95.4Very high0 Ų023.5 Ų23.50%011%0.107CC..Hα-helixtrans-50.6-56.1176175.1-90.5000111.9V7 L9 L12 P28 F30 L31 F65 L88 I89 R94 E95 L96V7-F92 HydrophobicContact CG1-CE2 4.18Å; L9-F92 HydrophobicContact CD1-CZ 4.21Å; L12-F92 HydrophobicContact CD1-CE2 3.48Å; L12-F92 VanDerWaalsContact CD1-CE2 3.48Å; L12-F92 HydrophobicContact CD1-CZ 3.5Å; P28-F92 HydrophobicContact CB-CZ 4.19Å; P28-F92 HydrophobicContact CG-CZ 4.18Å; F30-F92 HydrophobicContact CD1-CB 4.23Å; F30-F92 AromaticContact CD1-CD2 3.46Å; F30-F92 HydrophobicContact CD1-CD2 3.46Å; F30-F92 VanDerWaalsContact CD1-CD2 3.46Å; F30-F92 AromaticContact CD1-CE2 3.94Å; F30-F92 HydrophobicContact CD1-CE2 3.94Å; F30-F92 AromaticContact CD1-CG 3.9Å; F30-F92 HydrophobicContact CD1-CG 3.9Å; F30-F92 HydrophobicContact CE1-CB 3.66Å; F30-F92 AromaticContact CE1-CD2 3.81Å; F30-F92 HydrophobicContact CE1-CD2 3.81Å; F30-F92 AromaticContact CE1-CG 3.83Å; F30-F92 HydrophobicContact CE1-CG 3.83Å; F30-F92 HydrophobicContact CG-CD2 4.44Å; L31-F92 HydrophobicContact CD1-CD1 4.14Å; L31-F92 HydrophobicContact CD1-CE1 3.58Å; L31-F92 HydrophobicContact CD1-CZ 4.11Å; L31-F92 HydrophobicContact CD2-CD1 3.79Å; L31-F92 HydrophobicContact CD2-CE1 4.07Å; L31-F92 HydrophobicContact CD2-CG 4.24Å; L31-F92 HydrophobicContact CG-CD1 4.1Å; L31-F92 HydrophobicContact CG-CE1 3.84Å; L31-F92 HydrophobicContact CG-CZ 4.14Å; F65-F92 HydrophobicContact CB-CD2 4.12Å; F65-F92 HydrophobicContact CB-CE2 4.4Å; F65-F92 HydrophobicContact CD1-CB 4.24Å; F65-F92 AromaticContact CD1-CD2 3.75Å; F65-F92 HydrophobicContact CD1-CD2 3.75Å; F65-F92 HydrophobicContact CD1-CG 4.5Å; F65-F92 HydrophobicContact CD2-CD2 4.29Å; F65-F92 HydrophobicContact CE1-CB 3.77Å; F65-F92 HydrophobicContact CE1-CD2 4.17Å; F65-F92 HydrophobicContact CE1-CG 4.5Å; F65-F92 HydrophobicContact CE2-CB 4.38Å; F65-F92 AromaticContact CG-CD2 3.81Å; F65-F92 HydrophobicContact CG-CD2 3.81Å; F65-F92 HydrophobicContact CZ-CB 3.86Å; L88-F92 PolarHBondContact O-N 3.31Å; I89-F92 WeakPolarHBondContact O-CB 3.36Å; I89-F92 PolarHBondContact O-N 3.09Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 2.8Å; F92-E95 PolarHBondContact O-N 3.49Å; F92-E95 VanDerWaalsContact O-N 3.1Å; F92-L96 HydrophobicContact CE1-CD2 3.96Å; F92-L96 HydrophobicContact CE1-CG 4.49Å; F92-L96 HydrophobicContact CZ-CD2 4.02Å; F92-L96 PolarHBondContact O-N 3.44Å; F92-L96 VanDerWaalsContact O-N 3.17Å
93F97.1Very high95.3Very high2 Ų225.8 Ų25.81%0.00912%0.116CC..Hα-helixtrans-63.6-30.9-179.9-68.1-65.7000113.4L31 I89 L91 L96 L100 T140 L144 F169 V172L31-F93 HydrophobicContact CD1-CE1 4.05Å; L31-F93 HydrophobicContact CD1-CZ 3.64Å; L31-F93 HydrophobicContact CD2-CE2 3.92Å; L31-F93 HydrophobicContact CD2-CZ 3.78Å; L31-F93 HydrophobicContact CG-CZ 4.4Å; I89-F93 HydrophobicContact CG2-CD2 4.32Å; I89-F93 HydrophobicContact CG2-CE2 3.9Å; I89-F93 WeakPolarHBondContact O-CD2 3.2Å; I89-F93 PolarHBondContact O-N 3.4Å; L91-F93 PolarHBondContact O-N 3.3Å; F93-L96 HydrophobicContact CD1-CD1 4.07Å; F93-L100 HydrophobicContact CD1-CD2 4.03Å; F93-L100 HydrophobicContact CE1-CD2 3.86Å; F93-T140 HydrophobicContact CE1-CG2 3.89Å; F93-T140 HydrophobicContact CZ-CG2 4.43Å; F93-L144 HydrophobicContact CD1-CD2 4.45Å; F93-L144 HydrophobicContact CD2-CD2 4.36Å; F93-L144 HydrophobicContact CE1-CD2 3.97Å; F93-L144 HydrophobicContact CE2-CD1 3.72Å; F93-L144 HydrophobicContact CE2-CD2 3.87Å; F93-L144 HydrophobicContact CE2-CG 4.35Å; F93-L144 HydrophobicContact CZ-CB 4.25Å; F93-L144 HydrophobicContact CZ-CD1 3.87Å; F93-L144 HydrophobicContact CZ-CD2 3.66Å; F93-L144 HydrophobicContact CZ-CG 4.13Å; F93-F169 HydrophobicContact CD2-CE1 4.31Å; F93-V172 HydrophobicContact CB-CG1 3.62Å; F93-V172 HydrophobicContact CD2-CG1 4.47Å; F93-V172 HydrophobicContact CG-CG1 4.44Å
94R94Very high94.8Very high118 Ų11826 Ų2645%0.44513%0.133SC..Hα-helixtrans-77.7-19.6175.3-76.9177.658.9-91.2-10.1114.4K90 L91 F92 V172 R175K90-R94 WeakPolarHBondContact O-CB 3.39Å; K90-R94 WeakPolarHBondContact O-CG 3.39Å; K90-R94 PolarHBondContact O-N 3.11Å; L91-R94 VanDerWaalsContact CD1-NH1 3.26Å; L91-R94 CarbonylContact O-C 3.54Å; L91-R94 PolarHBondContact O-N 3.19Å; L91-R94 VanDerWaalsContact O-N 3.11Å; F92-R94 VanDerWaalsContact C-N 3.27Å; F92-R94 PolarHBondContact O-N 2.8Å; R94-V172 HydrophobicContact CG-CB 4.47Å; R94-V172 HydrophobicContact CG-CG1 4.3Å; R94-V172 HydrophobicContact CG-CG2 4.5Å; R94-R175 PolarHBondContact O-NH1 2.94Å; R94-R175 PolarHBondContact O-NH2 3.49Å
95E92.4Very high94.5Very high56 Ų5627.1 Ų27.126%0.26214%0.139SC..Hα-helixtrans-99.9-4.1178.5-69.7-167.916800113.1V7 L91 F92 E97V7-E95 HydrophobicContact CG2-CB 4Å; V7-E95 PolarHBondContact N-O 3.18Å; L91-E95 HydrophobicContact CD1-CG 3.88Å; L91-E95 WeakPolarHBondContact CD1-OE1 3.05Å; L91-E95 HydrophobicContact CG-CG 4.26Å; L91-E95 PolarHBondContact O-N 2.63Å; F92-E95 PolarHBondContact O-N 3.49Å; F92-E95 VanDerWaalsContact O-N 3.1Å; E95-E97 PolarHBondContact O-N 2.77Å
96L92.8Very high94.3Very high0 Ų027.8 Ų27.80%014%0.142CC..BIsolated β-bridgetrans-54.1132.4168.2-65.3-177.1000111.1V7 L9 F92 F93 E98 L100 R175V7-L96 HydrophobicContact CB-CD2 4.09Å; V7-L96 HydrophobicContact CG1-CD2 3.83Å; V7-L96 CarbonylContact O-C 3.59Å; V7-L96 VanDerWaalsContact O-CA 3.27Å; V7-L96 WeakPolarHBondContact O-CA 3.46Å; L9-L96 HydrophobicContact CB-CD2 4.2Å; L9-L96 HydrophobicContact CD1-CD2 4.34Å; L9-L96 HydrophobicContact CD2-CD1 4.49Å; F92-L96 HydrophobicContact CE1-CD2 3.96Å; F92-L96 HydrophobicContact CE1-CG 4.49Å; F92-L96 HydrophobicContact CZ-CD2 4.02Å; F92-L96 PolarHBondContact O-N 3.44Å; F92-L96 VanDerWaalsContact O-N 3.17Å; F93-L96 HydrophobicContact CD1-CD1 4.07Å; L96-E98 WeakPolarHBondContact CB-O 3.28Å; L96-L100 HydrophobicContact CD1-CB 4.4Å; L96-R175 PolarHBondContact O-NH1 3.42Å
97E90.7Very high93.8Very high98 Ų9829.9 Ų29.946%0.45816%0.164SC..SBendtrans-59.6-58.2178.5-174.6178.616700111.1R6 V7 V8 E95R6-E97 HydrophobicContact CB-CB 3.63Å; R6-E97 HydrophobicContact CB-CG 4.06Å; V7-E97 PolarHBondContact O-N 2.81Å; V8-E97 WeakPolarHBondContact CG2-OE2 3.26Å; E95-E97 PolarHBondContact O-N 2.77Å
98E92Very high93.2Very high71 Ų7132.3 Ų32.333%0.33218%0.175SC..SBendtrans-93.2123.8168.8-173.363.2-160.900108.4L96 T102 F103 H137L96-E98 WeakPolarHBondContact CB-O 3.28Å; E98-T102 HydrophobicContact CG-CG2 4.02Å; E98-T102 WeakPolarHBondContact OE1-CA 3.46Å; E98-T102 WeakPolarHBondContact OE1-CB 3.47Å; E98-F103 PolarHBondContact OE1-N 2.95Å; E98-F103 VanDerWaalsContact OE2-CD2 3.3Å; E98-F103 WeakPolarHBondContact OE2-CD2 3.44Å; E98-H137 PolarHBondContact O-CE1 2.79Å
99P94.7Very high93.1Very high0 Ų032.3 Ų32.30%018%0.175CC..  trans-60.9156.9179.822.8-31.6000111.6L101 T102 F103 Q106 H137 R175P99-L101 PolarHBondContact O-N 2.92Å; P99-L101 VanDerWaalsContact O-N 3.1Å; P99-T102 WeakPolarHBondContact O-CA 3.35Å; P99-T102 PolarHBondContact O-N 3.47Å; P99-F103 VanDerWaalsContact CD-CD2 3.46Å; P99-F103 HydrophobicContact CG-CD1 3.92Å; P99-F103 HydrophobicContact CG-CD2 3.99Å; P99-F103 HydrophobicContact CG-CE1 3.92Å; P99-F103 HydrophobicContact CG-CE2 3.98Å; P99-F103 HydrophobicContact CG-CG 3.96Å; P99-F103 HydrophobicContact CG-CZ 3.94Å; P99-Q106 VanDerWaalsContact CG-NE2 3.26Å; P99-H137 PolarHBondContact O-CE1 2.9Å; P99-H137 PolarHBondContact O-ND1 3.33Å; P99-R175 HydrophobicContact CB-CB 4.16Å; P99-R175 HydrophobicContact CB-CG 4Å; P99-R175 HydrophobicContact CG-CB 4.36Å
100L96Very high92.8Very high1 Ų133.4 Ų33.41%0.00518%0.181CC..THydrogen-bonded Turntrans-56.9-34.6-173.5-174.864.1000113.2L9 F93 L96 H137 T140 L141 L144 I173L9-L100 HydrophobicContact CD2-CD1 4.21Å; F93-L100 HydrophobicContact CD1-CD2 4.03Å; F93-L100 HydrophobicContact CE1-CD2 3.86Å; L96-L100 HydrophobicContact CD1-CB 4.4Å; L100-H137 WeakPolarHBondContact CD1-O 3.27Å; L100-H137 PolarHBondContact O-ND1 3.29Å; L100-T140 HydrophobicContact CD1-CG2 3.79Å; L100-L141 HydrophobicContact CD1-CB 4.39Å; L100-L141 HydrophobicContact CD2-CB 4.22Å; L100-L141 HydrophobicContact CD2-CD1 3.85Å; L100-L141 HydrophobicContact CG-CB 4.23Å; L100-L141 HydrophobicContact CG-CD1 4.29Å; L100-L144 HydrophobicContact CD2-CD2 3.76Å; L100-I173 HydrophobicContact CB-CG2 4.36Å
101L95.1Very high92.2Very high0 Ų040.7 Ų40.70%021%0.208CC..THydrogen-bonded Turntrans-93.29.5175.7-64.3-178.7000115P99 L105 Q106 F109 L133 L141 I173 F174 V206 I207P99-L101 PolarHBondContact O-N 2.92Å; P99-L101 VanDerWaalsContact O-N 3.1Å; L101-L105 WeakPolarHBondContact O-CB 3.14Å; L101-Q106 HydrophobicContact CB-CG 4Å; L101-F109 HydrophobicContact CB-CD2 4.11Å; L101-F109 HydrophobicContact CB-CE2 4.14Å; L101-F109 HydrophobicContact CD1-CD2 4.38Å; L101-F109 HydrophobicContact CD1-CG 4.38Å; L101-F109 HydrophobicContact CD2-CD2 4.35Å; L101-F109 HydrophobicContact CD2-CE1 4.27Å; L101-F109 HydrophobicContact CD2-CE2 3.93Å; L101-F109 HydrophobicContact CD2-CZ 3.9Å; L101-F109 HydrophobicContact CG-CE2 4.48Å; L101-L133 HydrophobicContact CD2-CD1 4.18Å; L101-L141 HydrophobicContact CD2-CD1 3.96Å; L101-L141 HydrophobicContact CD2-CD2 3.69Å; L101-L141 HydrophobicContact CD2-CG 4.47Å; L101-I173 HydrophobicContact CB-CG2 4.42Å; L101-I173 HydrophobicContact CD1-CG2 3.63Å; L101-I173 HydrophobicContact CG-CG2 3.57Å; L101-F174 HydrophobicContact CD1-CD2 4.47Å; L101-F174 HydrophobicContact CD1-CE1 4.1Å; L101-F174 HydrophobicContact CD1-CE2 3.86Å; L101-F174 HydrophobicContact CD1-CZ 3.65Å; L101-V206 HydrophobicContact CD1-CG1 4.42Å; L101-I207 HydrophobicContact CD1-CD1 4.26Å
102T92.8Very high91.6Very high13 Ų1343.7 Ų43.78%0.0822%0.22CC..  trans56147.9-17474.70000115.8E98 P99 G104 L105 Q106 L133 P134E98-T102 HydrophobicContact CG-CG2 4.02Å; E98-T102 WeakPolarHBondContact OE1-CA 3.46Å; E98-T102 WeakPolarHBondContact OE1-CB 3.47Å; P99-T102 WeakPolarHBondContact O-CA 3.35Å; P99-T102 PolarHBondContact O-N 3.47Å; T102-G104 PolarHBondContact O-N 3.38Å; T102-L105 WeakPolarHBondContact OG1-CB 3.22Å; T102-L105 WeakPolarHBondContact OG1-CG 3.19Å; T102-L105 PolarHBondContact OG1-N 3.44Å; T102-Q106 WeakPolarHBondContact O-CB 3.36Å; T102-Q106 WeakPolarHBondContact O-CG 3.48Å; T102-Q106 PolarHBondContact O-N 3.13Å; T102-Q106 VanDerWaalsContact O-N 3.13Å; T102-Q106 PolarHBondContact O-NE2 2.91Å; T102-Q106 VanDerWaalsContact O-NE2 3.16Å; T102-L133 HydrophobicContact CG2-CD2 3.95Å; T102-P134 HydrophobicContact CG2-CG 4.14Å
103F91.4Very high91.1Very high53 Ų5343.8 Ų43.823%0.23222%0.221CC..Hα-helixtrans-63.8-34.2173.8-69.6-66.7000111.3E98 P99 R175 N177E98-F103 PolarHBondContact OE1-N 2.95Å; E98-F103 VanDerWaalsContact OE2-CD2 3.3Å; E98-F103 WeakPolarHBondContact OE2-CD2 3.44Å; P99-F103 VanDerWaalsContact CD-CD2 3.46Å; P99-F103 HydrophobicContact CG-CD1 3.92Å; P99-F103 HydrophobicContact CG-CD2 3.99Å; P99-F103 HydrophobicContact CG-CE1 3.92Å; P99-F103 HydrophobicContact CG-CE2 3.98Å; P99-F103 HydrophobicContact CG-CG 3.96Å; P99-F103 HydrophobicContact CG-CZ 3.94Å; F103-R175 HydrophobicContact CE1-CB 3.96Å; F103-R175 VanDerWaalsContact CE1-O 3.24Å; F103-R175 WeakPolarHBondContact CE1-O 3.34Å; F103-R175 HydrophobicContact CZ-CB 4.36Å; F103-N177 HydrophobicContact CD1-CB 3.72Å; F103-N177 HydrophobicContact CE1-CB 3.89Å; F103-N177 HydrophobicContact CG-CB 4.41Å
104G88.2Confident90.4Very high59 Ų5946.7 Ų46.761%0.60824%0.237SC*.Hα-helixtrans-70.6-28.1179.900000115.3T102T102-G104 PolarHBondContact O-N 3.38Å
105L90.1Very high89.4Confident23 Ų2345.6 Ų45.612%0.1225%0.253CS..Hα-helixtrans-105.5-21.9-177.2-61.1177.3000114.2L101 T102 G107 Q108 F109 A132 L133L101-L105 WeakPolarHBondContact O-CB 3.14Å; T102-L105 WeakPolarHBondContact OG1-CB 3.22Å; T102-L105 WeakPolarHBondContact OG1-CG 3.19Å; T102-L105 PolarHBondContact OG1-N 3.44Å; L105-G107 VanDerWaalsContact C-N 3.27Å; L105-G107 PolarHBondContact O-N 3.43Å; L105-G107 VanDerWaalsContact O-N 3.14Å; L105-Q108 WeakPolarHBondContact O-CA 3.49Å; L105-Q108 WeakPolarHBondContact O-CB 3.49Å; L105-Q108 PolarHBondContact O-N 2.91Å; L105-F109 HydrophobicContact CB-CD2 4Å; L105-F109 HydrophobicContact CB-CE2 3.79Å; L105-F109 WeakPolarHBondContact O-CD2 3.48Å; L105-F109 PolarHBondContact O-N 2.84Å; L105-A132 HydrophobicContact CD1-CB 3.96Å; L105-L133 HydrophobicContact CD1-CD2 3.89Å; L105-L133 HydrophobicContact CD1-CG 4.21Å
106Q93.4Very high88.7Confident14 Ų1450 Ų507%0.06528%0.278CS..Hα-helixtrans-47.7-44.3179.3-89.9176.786.200114.1P99 L101 T102 Q108 F109 V110 F174 R175P99-Q106 VanDerWaalsContact CG-NE2 3.26Å; L101-Q106 HydrophobicContact CB-CG 4Å; T102-Q106 WeakPolarHBondContact O-CB 3.36Å; T102-Q106 WeakPolarHBondContact O-CG 3.48Å; T102-Q106 PolarHBondContact O-N 3.13Å; T102-Q106 VanDerWaalsContact O-N 3.13Å; T102-Q106 PolarHBondContact O-NE2 2.91Å; T102-Q106 VanDerWaalsContact O-NE2 3.16Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 3.11Å; Q106-F109 PolarHBondContact O-N 2.88Å; Q106-V110 PolarHBondContact O-N 3.03Å; Q106-V110 VanDerWaalsContact O-N 3.12Å; Q106-F174 HydrophobicContact CB-CD1 4.08Å; Q106-F174 HydrophobicContact CB-CE1 4.19Å; Q106-F174 HydrophobicContact CG-CD1 3.6Å; Q106-F174 HydrophobicContact CG-CE1 3.93Å; Q106-R175 PolarHBondContact NE2-O 3.49Å; Q106-R175 PolarHBondContact OE1-O 3.31Å
107G87.3Confident88Confident45 Ų4551.3 Ų51.346%0.46429%0.286SS..Hα-helixtrans-65.2-28.9177.500000113.6L105 R111L105-G107 VanDerWaalsContact C-N 3.27Å; L105-G107 PolarHBondContact O-N 3.43Å; L105-G107 VanDerWaalsContact O-N 3.14Å; G107-R111 WeakPolarHBondContact O-CB 3.45Å; G107-R111 WeakPolarHBondContact O-CG 3.09Å; G107-R111 PolarHBondContact O-N 3.03Å
108Q86Confident87.5Confident80 Ų8050.2 Ų50.237%0.37429%0.288SS..Hα-helixtrans-75.9-43.5175.2-53.1-173.939.600110.6L105 Q106 V110 R111 F112 L129L105-Q108 WeakPolarHBondContact O-CA 3.49Å; L105-Q108 WeakPolarHBondContact O-CB 3.49Å; L105-Q108 PolarHBondContact O-N 2.91Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 3.11Å; Q108-V110 VanDerWaalsContact C-N 3.31Å; Q108-V110 PolarHBondContact O-N 2.89Å; Q108-R111 PolarHBondContact O-N 2.81Å; Q108-R111 VanDerWaalsContact O-N 3.11Å; Q108-F112 HydrophobicContact CB-CE2 4.47Å; Q108-F112 VanDerWaalsContact O-CD2 3.23Å; Q108-F112 WeakPolarHBondContact O-CD2 3.3Å; Q108-F112 PolarHBondContact O-N 2.95Å; Q108-L129 HydrophobicContact CB-CD1 3.87Å; Q108-L129 HydrophobicContact CB-CD2 4.02Å
109F93Very high87Confident0 Ų050.6 Ų50.60%030%0.298CS..Hα-helixtrans-53-47.5174.2-81.9-73.7000111.9L101 L105 Q106 V113 L126 L129 L133 F174 V206 L210L101-F109 HydrophobicContact CB-CD2 4.11Å; L101-F109 HydrophobicContact CB-CE2 4.14Å; L101-F109 HydrophobicContact CD1-CD2 4.38Å; L101-F109 HydrophobicContact CD1-CG 4.38Å; L101-F109 HydrophobicContact CD2-CD2 4.35Å; L101-F109 HydrophobicContact CD2-CE1 4.27Å; L101-F109 HydrophobicContact CD2-CE2 3.93Å; L101-F109 HydrophobicContact CD2-CZ 3.9Å; L101-F109 HydrophobicContact CG-CE2 4.48Å; L105-F109 HydrophobicContact CB-CD2 4Å; L105-F109 HydrophobicContact CB-CE2 3.79Å; L105-F109 WeakPolarHBondContact O-CD2 3.48Å; L105-F109 PolarHBondContact O-N 2.84Å; Q106-F109 PolarHBondContact O-N 2.88Å; F109-V113 WeakPolarHBondContact O-CG2 3Å; F109-L126 HydrophobicContact CD1-CD2 3.65Å; F109-L126 HydrophobicContact CE1-CD2 4.37Å; F109-L129 HydrophobicContact CD1-CB 4.27Å; F109-L129 HydrophobicContact CD1-CD1 4Å; F109-L129 HydrophobicContact CD2-CD1 4.44Å; F109-L129 HydrophobicContact CE1-CB 3.69Å; F109-L129 HydrophobicContact CE1-CD1 4.26Å; F109-L129 HydrophobicContact CE2-CB 4.31Å; F109-L129 HydrophobicContact CG-CD1 4.07Å; F109-L129 HydrophobicContact CZ-CB 3.7Å; F109-L133 HydrophobicContact CE2-CD2 4.27Å; F109-L133 HydrophobicContact CE2-CG 4.48Å; F109-L133 HydrophobicContact CZ-CD1 4.11Å; F109-L133 HydrophobicContact CZ-CG 4.34Å; F109-F174 HydrophobicContact CB-CE1 4.42Å; F109-F174 HydrophobicContact CB-CZ 4.38Å; F109-V206 HydrophobicContact CB-CG1 4.21Å; F109-V206 HydrophobicContact CB-CG2 4.37Å; F109-V206 HydrophobicContact CD1-CG1 4.14Å; F109-V206 VanDerWaalsContact O-CG2 3.27Å; F109-V206 WeakPolarHBondContact O-CG2 3.48Å; F109-L210 HydrophobicContact CE1-CD1 4.42Å
110V91.5Very high86.3Confident22 Ų2256.3 Ų56.313%0.13333%0.328CS..Hα-helixtrans-64.7-41176.7171.80000112.1Q106 Q108 F112 V113 F174 L202 K203Q106-V110 PolarHBondContact O-N 3.03Å; Q106-V110 VanDerWaalsContact O-N 3.12Å; Q108-V110 VanDerWaalsContact C-N 3.31Å; Q108-V110 PolarHBondContact O-N 2.89Å; V110-F112 PolarHBondContact O-N 3.04Å; V110-V113 PolarHBondContact O-N 3.41Å; V110-F174 HydrophobicContact CG2-CD1 4.42Å; V110-F174 HydrophobicContact CG2-CE1 3.73Å; V110-F174 HydrophobicContact CG2-CZ 4.21Å; V110-L202 HydrophobicContact CG1-CB 3.86Å; V110-L202 HydrophobicContact CG1-CD1 3.9Å; V110-K203 HydrophobicContact CG2-CG 3.78Å
111R85.3Confident85.7Confident180 Ų18059.2 Ų59.268%0.67935%0.346SS*.Hα-helixtrans-64.7-37.5-176.8-80.8176.168.3-166.10.1114.2G107 Q108 V113G107-R111 WeakPolarHBondContact O-CB 3.45Å; G107-R111 WeakPolarHBondContact O-CG 3.09Å; G107-R111 PolarHBondContact O-N 3.03Å; Q108-R111 PolarHBondContact O-N 2.81Å; Q108-R111 VanDerWaalsContact O-N 3.11Å; R111-V113 PolarHBondContact O-N 2.98Å; R111-V113 VanDerWaalsContact O-N 3.16Å
112F83.8Confident85.4Confident82 Ų8260.1 Ų60.136%0.3635%0.35SS..THydrogen-bonded Turntrans-76.87.5180-72.3-70000114.4Q108 V110 K122 C125 L129Q108-F112 HydrophobicContact CB-CE2 4.47Å; Q108-F112 VanDerWaalsContact O-CD2 3.23Å; Q108-F112 WeakPolarHBondContact O-CD2 3.3Å; Q108-F112 PolarHBondContact O-N 2.95Å; V110-F112 PolarHBondContact O-N 3.04Å; F112-K122 WeakPolarHBondContact O-CG 3.48Å; F112-C125 HydrophobicContact CB-CB 3.84Å; F112-C125 HydrophobicContact CD1-CB 3.67Å; F112-C125 HydrophobicContact CD2-CB 4.31Å; F112-C125 HydrophobicContact CE1-CB 4.27Å; F112-C125 HydrophobicContact CG-CB 3.69Å; F112-L129 HydrophobicContact CD2-CD1 3.6Å; F112-L129 HydrophobicContact CD2-CG 4.31Å; F112-L129 HydrophobicContact CE2-CD1 3.96Å; F112-L129 HydrophobicContact CE2-CD2 4.44Å; F112-L129 HydrophobicContact CE2-CG 4.29Å
113V86.7Confident85.2Confident2 Ų261.4 Ų61.41%0.01236%0.358CS..THydrogen-bonded Turntrans-120.314.4-173.8179.70000112F109 V110 R111 K122 L126 L202 E205 V206 L209F109-V113 WeakPolarHBondContact O-CG2 3Å; V110-V113 PolarHBondContact O-N 3.41Å; R111-V113 PolarHBondContact O-N 2.98Å; R111-V113 VanDerWaalsContact O-N 3.16Å; V113-K122 WeakPolarHBondContact O-CE 3.49Å; V113-L126 HydrophobicContact CG2-CD1 3.8Å; V113-L126 HydrophobicContact CG2-CD2 3.79Å; V113-L126 HydrophobicContact CG2-CG 4.01Å; V113-L202 HydrophobicContact CG1-CD2 4.49Å; V113-L202 VanDerWaalsContact O-CD2 3.29Å; V113-L202 WeakPolarHBondContact O-CD2 3.29Å; V113-E205 HydrophobicContact CG1-CB 3.56Å; V113-E205 HydrophobicContact CG1-CG 3.17Å; V113-V206 HydrophobicContact CB-CG2 4.12Å; V113-V206 HydrophobicContact CG1-CG2 4.35Å; V113-V206 HydrophobicContact CG2-CG2 3.7Å; V113-L209 HydrophobicContact CG1-CD1 4.44Å; V113-L209 HydrophobicContact CG2-CD1 4.5Å
114D81.5Confident84.8Confident63 Ų6365.1 Ų65.134%0.33737%0.374SS..  trans-54.4160.5176.270.245.3000114.2N116 T117 K122D114-N116 PolarHBondContact O-N 2.89Å; D114-N116 VanDerWaalsContact O-N 3.15Å; D114-N116 PolarHBondContact OD1-N 2.74Å; D114-T117 VanDerWaalsContact CG-OG1 3.28Å; D114-T117 PolarHBondContact O-N 2.76Å; D114-T117 WeakPolarHBondContact OD1-CB 3.5Å; D114-T117 PolarHBondContact OD1-N 2.82Å; D114-T117 PolarHBondContact OD1-OG1 2.98Å; D114-T117 PolarHBondContact OD2-OG1 3.01Å; D114-K122 WeakPolarHBondContact O-CE 3.39Å; D114-K122 PolarHBondContact O-NZ 3.24Å
115A73.7Confident84.8Confident95 Ų9563.4 Ų63.479%0.78535%0.352SS*.THydrogen-bonded Turntrans-62.1-24.5-17600000113.8
116N77.7Confident85Confident149 Ų14962.3 Ų62.380%0.79735%0.347SS*.THydrogen-bonded Turntrans-88.5-22.6-171.9-59.3-22.8000112.7D114 P118D114-N116 PolarHBondContact O-N 2.89Å; D114-N116 VanDerWaalsContact O-N 3.15Å; D114-N116 PolarHBondContact OD1-N 2.74Å; N116-P118 WeakPolarHBondContact O-CD 3.42Å
117T77.6Confident84.8Confident28 Ų2863 Ų6317%0.17235%0.351CS..SBendtrans-75.9125.3-177.3-60.20000111.1D114 V121 K122D114-T117 VanDerWaalsContact CG-OG1 3.28Å; D114-T117 PolarHBondContact O-N 2.76Å; D114-T117 WeakPolarHBondContact OD1-CB 3.5Å; D114-T117 PolarHBondContact OD1-N 2.82Å; D114-T117 PolarHBondContact OD1-OG1 2.98Å; D114-T117 PolarHBondContact OD2-OG1 3.01Å; T117-V121 HydrophobicContact CG2-CB 3.85Å; T117-V121 HydrophobicContact CG2-CG1 3.76Å; T117-K122 HydrophobicContact CG2-CG 3.67Å; T117-K122 WeakPolarHBondContact O-CD 3.41Å; T117-K122 WeakPolarHBondContact O-CE 3.4Å; T117-K122 PolarHBondContact O-NZ 2.91Å
118P80.4Confident84.9Confident75 Ų7565 Ų6549%0.48735%0.348SS..  trans-59.7142.6177-27.236.7000113.3N116 N120 V121 K122N116-P118 WeakPolarHBondContact O-CD 3.42Å; P118-N120 VanDerWaalsContact C-N 3.27Å; P118-N120 VanDerWaalsContact CB-OD1 3.3Å; P118-N120 WeakPolarHBondContact CB-OD1 3.45Å; P118-N120 PolarHBondContact O-N 2.86Å; P118-N120 VanDerWaalsContact O-N 3.13Å; P118-V121 HydrophobicContact CB-CG2 4.26Å; P118-V121 WeakPolarHBondContact O-CA 3.18Å; P118-V121 WeakPolarHBondContact O-CB 3.04Å; P118-V121 PolarHBondContact O-N 2.96Å; P118-K122 PolarHBondContact O-N 2.71Å
119S82Confident85Confident78 Ų7862 Ų6255%0.54533%0.334SS..Hα-helixtrans-56.6-33.6-171.7-57.20000115.1V123S119-V123 WeakPolarHBondContact O-CG2 3.39Å; S119-V123 PolarHBondContact O-N 3.25Å; S119-V123 VanDerWaalsContact O-N 3.17Å
120N80.1Confident85Confident120 Ų12062 Ų6264%0.64233%0.334SS*.Hα-helixtrans-68.9-37.8174.761.3-34.5000112.4P118 K124P118-N120 VanDerWaalsContact C-N 3.27Å; P118-N120 VanDerWaalsContact CB-OD1 3.3Å; P118-N120 WeakPolarHBondContact CB-OD1 3.45Å; P118-N120 PolarHBondContact O-N 2.86Å; P118-N120 VanDerWaalsContact O-N 3.13Å; N120-K124 PolarHBondContact O-N 3.33Å; N120-K124 VanDerWaalsContact O-N 3.13Å
121V82.7Confident84.9Confident62 Ų6263.8 Ų63.838%0.37634%0.341SS..Hα-helixtrans-68.6-45.8175.3-178.70000110T117 P118 V123 K124 C125T117-V121 HydrophobicContact CG2-CB 3.85Å; T117-V121 HydrophobicContact CG2-CG1 3.76Å; P118-V121 HydrophobicContact CB-CG2 4.26Å; P118-V121 WeakPolarHBondContact O-CA 3.18Å; P118-V121 WeakPolarHBondContact O-CB 3.04Å; P118-V121 PolarHBondContact O-N 2.96Å; V121-V123 PolarHBondContact O-N 3.3Å; V121-K124 PolarHBondContact O-N 2.72Å; V121-K124 VanDerWaalsContact O-N 3.15Å; V121-C125 PolarHBondContact O-N 2.94Å; V121-C125 PolarHBondContact O-SG 2.68Å; V121-C125 VanDerWaalsContact O-SG 3.41Å
122K88.6Confident85.1Confident19 Ų1958.3 Ų58.38%0.08334%0.335CS..Hα-helixtrans-49.5-55.8174.1-65.7-179.4161.7149.80111.4F112 V113 D114 T117 P118 K124 C125 L126 L209F112-K122 WeakPolarHBondContact O-CG 3.48Å; V113-K122 WeakPolarHBondContact O-CE 3.49Å; D114-K122 WeakPolarHBondContact O-CE 3.39Å; D114-K122 PolarHBondContact O-NZ 3.24Å; T117-K122 HydrophobicContact CG2-CG 3.67Å; T117-K122 WeakPolarHBondContact O-CD 3.41Å; T117-K122 WeakPolarHBondContact O-CE 3.4Å; T117-K122 PolarHBondContact O-NZ 2.91Å; P118-K122 PolarHBondContact O-N 2.71Å; K122-K124 PolarHBondContact O-N 2.99Å; K122-C125 PolarHBondContact O-N 3.35Å; K122-L126 WeakPolarHBondContact O-CB 2.9Å; K122-L126 WeakPolarHBondContact O-CG 3.37Å; K122-L126 PolarHBondContact O-N 3.09Å; K122-L209 HydrophobicContact CB-CD1 3.78Å; K122-L209 HydrophobicContact CD-CD1 4.11Å
123V88.7Confident85.6Confident41 Ų4154.8 Ų54.825%0.24832%0.319CS..Hα-helixtrans-59.8-43.8-179.5172.50000111.6S119 V121 L126 L127 L209 A213S119-V123 WeakPolarHBondContact O-CG2 3.39Å; S119-V123 PolarHBondContact O-N 3.25Å; S119-V123 VanDerWaalsContact O-N 3.17Å; V121-V123 PolarHBondContact O-N 3.3Å; V123-L126 PolarHBondContact O-N 2.98Å; V123-L127 HydrophobicContact CG1-CD1 3.85Å; V123-L127 HydrophobicContact CG1-CG 4.35Å; V123-L127 WeakPolarHBondContact O-CB 3.44Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.45Å; V123-L127 PolarHBondContact O-N 2.67Å; V123-L209 HydrophobicContact CG2-CB 4.39Å; V123-L209 HydrophobicContact CG2-CD2 3.97Å; V123-A213 HydrophobicContact CG1-CB 3.8Å
124K83.8Confident85.9Confident130 Ų13057.3 Ų57.357%0.56534%0.336SS*.Hα-helixtrans-62.3-47.6178.8-173.3177178.4-1780112.1N120 V121 K122 L127 Q128N120-K124 PolarHBondContact O-N 3.33Å; N120-K124 VanDerWaalsContact O-N 3.13Å; V121-K124 PolarHBondContact O-N 2.72Å; V121-K124 VanDerWaalsContact O-N 3.15Å; K122-K124 PolarHBondContact O-N 2.99Å; K124-L127 PolarHBondContact O-N 3.41Å; K124-Q128 WeakPolarHBondContact O-CG 3.41Å; K124-Q128 PolarHBondContact O-N 3.12Å
125C87.4Confident86.3Confident23 Ų2358.4 Ų58.416%0.15535%0.346CS..Hα-helixtrans-64.3-40.2178.8-66.40000112.3F112 V121 K122 Q128 L129F112-C125 HydrophobicContact CB-CB 3.84Å; F112-C125 HydrophobicContact CD1-CB 3.67Å; F112-C125 HydrophobicContact CD2-CB 4.31Å; F112-C125 HydrophobicContact CE1-CB 4.27Å; F112-C125 HydrophobicContact CG-CB 3.69Å; V121-C125 PolarHBondContact O-N 2.94Å; V121-C125 PolarHBondContact O-SG 2.68Å; V121-C125 VanDerWaalsContact O-SG 3.41Å; K122-C125 PolarHBondContact O-N 3.35Å; C125-Q128 PolarHBondContact O-N 2.72Å; C125-L129 PolarHBondContact O-N 2.95Å
126L93Very high87.2Confident1 Ų158.4 Ų58.41%0.00533%0.326CS..Hα-helixtrans-61.8-45.3175.1-71.8173.3000112.2F109 V113 K122 V123 L129 C130 V206 L209 L210F109-L126 HydrophobicContact CD1-CD2 3.65Å; F109-L126 HydrophobicContact CE1-CD2 4.37Å; V113-L126 HydrophobicContact CG2-CD1 3.8Å; V113-L126 HydrophobicContact CG2-CD2 3.79Å; V113-L126 HydrophobicContact CG2-CG 4.01Å; K122-L126 WeakPolarHBondContact O-CB 2.9Å; K122-L126 WeakPolarHBondContact O-CG 3.37Å; K122-L126 PolarHBondContact O-N 3.09Å; V123-L126 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 2.86Å; L126-C130 PolarHBondContact O-N 3.34Å; L126-C130 PolarHBondContact O-SG 2.83Å; L126-C130 VanDerWaalsContact O-SG 3.33Å; L126-V206 HydrophobicContact CD2-CG1 4.02Å; L126-V206 HydrophobicContact CD2-CG2 4.24Å; L126-L209 HydrophobicContact CD1-CB 3.67Å; L126-L209 HydrophobicContact CD1-CD1 3.78Å; L126-L209 HydrophobicContact CD1-CG 4.39Å; L126-L210 HydrophobicContact CB-CD2 4.08Å
127L91.2Very high88Confident29 Ų2952.1 Ų52.115%0.15229%0.292CS..Hα-helixtrans-64.6-40.2177-69.8172.8000111.7V123 K124 C130 H131 A213 I217V123-L127 HydrophobicContact CG1-CD1 3.85Å; V123-L127 HydrophobicContact CG1-CG 4.35Å; V123-L127 WeakPolarHBondContact O-CB 3.44Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.45Å; V123-L127 PolarHBondContact O-N 2.67Å; K124-L127 PolarHBondContact O-N 3.41Å; L127-C130 WeakPolarHBondContact O-CB 3.16Å; L127-C130 PolarHBondContact O-N 3.15Å; L127-C130 VanDerWaalsContact O-N 3.15Å; L127-H131 PolarHBondContact O-CD2 2.96Å; L127-A213 HydrophobicContact CD2-CB 4.44Å; L127-I217 HydrophobicContact CD2-CG1 3.85Å
128Q87.5Confident88.8Confident86 Ų8653.2 Ų53.240%0.40229%0.294SS..Hα-helixtrans-62.9-41174.4-73.4-177.7-38.800112.1K124 C125 C130 H131K124-Q128 WeakPolarHBondContact O-CG 3.41Å; K124-Q128 PolarHBondContact O-N 3.12Å; C125-Q128 PolarHBondContact O-N 2.72Å; Q128-C130 VanDerWaalsContact C-N 3.3Å; Q128-C130 PolarHBondContact O-N 3.14Å; Q128-H131 WeakPolarHBondContact O-CB 3.45Å; Q128-H131 PolarHBondContact O-N 3.11Å; Q128-H131 VanDerWaalsContact O-N 3.11Å
129L88.8Confident89.5Confident16 Ų1651.7 Ų51.78%0.08428%0.281CS..Hα-helixtrans-62.2-33.5172.1-79.1178.7000113.1Q108 F109 F112 C125 L126 H131 A132Q108-L129 HydrophobicContact CB-CD1 3.87Å; Q108-L129 HydrophobicContact CB-CD2 4.02Å; F109-L129 HydrophobicContact CD1-CB 4.27Å; F109-L129 HydrophobicContact CD1-CD1 4Å; F109-L129 HydrophobicContact CD2-CD1 4.44Å; F109-L129 HydrophobicContact CE1-CB 3.69Å; F109-L129 HydrophobicContact CE1-CD1 4.26Å; F109-L129 HydrophobicContact CE2-CB 4.31Å; F109-L129 HydrophobicContact CG-CD1 4.07Å; F109-L129 HydrophobicContact CZ-CB 3.7Å; F112-L129 HydrophobicContact CD2-CD1 3.6Å; F112-L129 HydrophobicContact CD2-CG 4.31Å; F112-L129 HydrophobicContact CE2-CD1 3.96Å; F112-L129 HydrophobicContact CE2-CD2 4.44Å; F112-L129 HydrophobicContact CE2-CG 4.29Å; C125-L129 PolarHBondContact O-N 2.95Å; L126-L129 PolarHBondContact O-N 2.86Å; L129-H131 PolarHBondContact O-N 3.35Å; L129-A132 WeakPolarHBondContact O-CB 3.19Å; L129-A132 PolarHBondContact O-N 3.14Å
130C92.8Very high90.2Very high0 Ų048 Ų480%026%0.255CS..Hα-helixtrans-62.1-23174.6-67.30000113.3L126 L127 Q128 A132 L133 K138 I217L126-C130 PolarHBondContact O-N 3.34Å; L126-C130 PolarHBondContact O-SG 2.83Å; L126-C130 VanDerWaalsContact O-SG 3.33Å; L127-C130 WeakPolarHBondContact O-CB 3.16Å; L127-C130 PolarHBondContact O-N 3.15Å; L127-C130 VanDerWaalsContact O-N 3.15Å; Q128-C130 VanDerWaalsContact C-N 3.3Å; Q128-C130 PolarHBondContact O-N 3.14Å; C130-A132 VanDerWaalsContact C-N 3.33Å; C130-L133 HydrophobicContact CB-CD1 4.46Å; C130-K138 WeakPolarHBondContact O-CD 3.13Å; C130-K138 VanDerWaalsContact O-CG 3.32Å; C130-K138 WeakPolarHBondContact O-CG 3.32Å; C130-I217 HydrophobicContact CB-CG2 4.1Å
131H89.8Confident91Very high61 Ų6142.3 Ų42.328%0.28223%0.225SC..THydrogen-bonded Turntrans-75.5-19.4173-70.4-82.1000113.6L127 Q128 L129 G218 L220L127-H131 PolarHBondContact O-CD2 2.96Å; Q128-H131 WeakPolarHBondContact O-CB 3.45Å; Q128-H131 PolarHBondContact O-N 3.11Å; Q128-H131 VanDerWaalsContact O-N 3.11Å; L129-H131 PolarHBondContact O-N 3.35Å; H131-G218 PolarHBondContact CE1-O 3.33Å; H131-L220 WeakPolarHBondContact CE1-CD2 3.48Å
132A90.2Very high91.7Very high65 Ų6539.5 Ų39.554%0.53721%0.207SC..THydrogen-bonded Turntrans-86.6-8.317500000113.6L105 L129 C130L105-A132 HydrophobicContact CD1-CB 3.96Å; L129-A132 WeakPolarHBondContact O-CB 3.19Å; L129-A132 PolarHBondContact O-N 3.14Å; C130-A132 VanDerWaalsContact C-N 3.33Å
133L93.1Very high92.1Very high7 Ų738.6 Ų38.64%0.03720%0.203CC..SBendtrans-70146.4173.4-72.2168.7000111L101 T102 L105 F109 C130 H137 K138 L141L101-L133 HydrophobicContact CD2-CD1 4.18Å; T102-L133 HydrophobicContact CG2-CD2 3.95Å; L105-L133 HydrophobicContact CD1-CD2 3.89Å; L105-L133 HydrophobicContact CD1-CG 4.21Å; F109-L133 HydrophobicContact CE2-CD2 4.27Å; F109-L133 HydrophobicContact CE2-CG 4.48Å; F109-L133 HydrophobicContact CZ-CD1 4.11Å; F109-L133 HydrophobicContact CZ-CG 4.34Å; C130-L133 HydrophobicContact CB-CD1 4.46Å; L133-H137 HydrophobicContact CB-CB 4.31Å; L133-K138 HydrophobicContact CB-CB 4.09Å; L133-L141 HydrophobicContact CD1-CD2 3.56Å
134P93.1Very high92.5Very high56 Ų5636.6 Ų36.636%0.36419%0.192SC..  trans-52144.7170.4-25.133.1000111.5T102 R136 H137 K138T102-P134 HydrophobicContact CG2-CG 4.14Å; P134-R136 PolarHBondContact O-N 3.1Å; P134-H137 HydrophobicContact CB-CB 4.33Å; P134-H137 WeakPolarHBondContact O-CA 3.22Å; P134-H137 WeakPolarHBondContact O-CB 3.37Å; P134-H137 PolarHBondContact O-N 2.88Å; P134-K138 PolarHBondContact O-N 2.88Å
135P90.5Very high93.2Very high86 Ų8630.4 Ų30.456%0.55817%0.165SC*.Hα-helixtrans-50.7-49.3-169.7-30.735.5000114.5H137 K138 E139P135-H137 VanDerWaalsContact C-N 3.35Å; P135-H137 PolarHBondContact O-N 3.04Å; P135-K138 WeakPolarHBondContact O-CB 3.43Å; P135-K138 PolarHBondContact O-N 3.38Å; P135-E139 PolarHBondContact O-N 2.91Å
136R92Very high93.7Very high95 Ų9530.4 Ų30.436%0.35816%0.161SC..Hα-helixtrans-65.8-31.8177.9-68.8174.2176.7-978.2113.8L9 S14 P134 T140L9-R136 HydrophobicContact CG-CB 4.44Å; S14-R136 PolarHBondContact OG-NH1 3.36Å; P134-R136 PolarHBondContact O-N 3.1Å; R136-T140 WeakPolarHBondContact O-CB 3.27Å; R136-T140 PolarHBondContact O-N 3.49Å; R136-T140 PolarHBondContact O-OG1 2.89Å
137H95Very high93.9Very high17 Ų1730.6 Ų30.68%0.07916%0.162CC..Hα-helixtrans-68.4-46.1173.8-75-117.7000110.5L9 E98 P99 L100 L133 P134 P135 T140 L141L9-H137 HydrophobicContact CD2-CB 4.48Å; E98-H137 PolarHBondContact O-CE1 2.79Å; P99-H137 PolarHBondContact O-CE1 2.9Å; P99-H137 PolarHBondContact O-ND1 3.33Å; L100-H137 WeakPolarHBondContact CD1-O 3.27Å; L100-H137 PolarHBondContact O-ND1 3.29Å; L133-H137 HydrophobicContact CB-CB 4.31Å; P134-H137 HydrophobicContact CB-CB 4.33Å; P134-H137 WeakPolarHBondContact O-CA 3.22Å; P134-H137 WeakPolarHBondContact O-CB 3.37Å; P134-H137 PolarHBondContact O-N 2.88Å; P135-H137 VanDerWaalsContact C-N 3.35Å; P135-H137 PolarHBondContact O-N 3.04Å; H137-T140 PolarHBondContact O-N 2.95Å; H137-L141 WeakPolarHBondContact O-CB 3.19Å; H137-L141 PolarHBondContact O-N 3.15Å
138K94.8Very high94.2Very high50 Ų5029.2 Ų29.222%0.21716%0.155CC..Hα-helixtrans-60-46.1176.6-178.8-173.870.8-1750112.1C130 L133 P134 P135 L141 A142C130-K138 WeakPolarHBondContact O-CD 3.13Å; C130-K138 VanDerWaalsContact O-CG 3.32Å; C130-K138 WeakPolarHBondContact O-CG 3.32Å; L133-K138 HydrophobicContact CB-CB 4.09Å; P134-K138 PolarHBondContact O-N 2.88Å; P135-K138 WeakPolarHBondContact O-CB 3.43Å; P135-K138 PolarHBondContact O-N 3.38Å; K138-L141 PolarHBondContact O-N 3.04Å; K138-A142 WeakPolarHBondContact O-CB 3.47Å; K138-A142 PolarHBondContact O-N 2.82Å
139E94.8Very high94.7Very high44 Ų4426.5 Ų26.521%0.20614%0.143CC..Hα-helixtrans-68.4-44.9179.1-74170.5-135.800111.8L25 T26 P135 L141 A142 F143L25-E139 HydrophobicContact CB-CB 4.18Å; L25-E139 HydrophobicContact CB-CG 4.01Å; T26-E139 WeakPolarHBondContact CA-OE2 3.42Å; T26-E139 WeakPolarHBondContact CB-OE2 3.13Å; T26-E139 PolarHBondContact N-OE2 3.43Å; T26-E139 PolarHBondContact OG1-OE2 3.21Å; P135-E139 PolarHBondContact O-N 2.91Å; E139-L141 VanDerWaalsContact C-N 3.29Å; E139-L141 PolarHBondContact O-N 3.28Å; E139-A142 PolarHBondContact O-N 3.33Å; E139-F143 WeakPolarHBondContact O-CB 3.33Å; E139-F143 PolarHBondContact O-N 3.33Å
140T96.5Very high95.1Very high1 Ų129.5 Ų29.51%0.00616%0.156CC..Hα-helixtrans-62.2-36.5174.7-58.70000111.9L9 L31 F93 L100 R136 H137 L144L9-T140 HydrophobicContact CD1-CG2 4.49Å; L9-T140 HydrophobicContact CD2-CG2 4.48Å; L31-T140 HydrophobicContact CD1-CG2 3.6Å; F93-T140 HydrophobicContact CE1-CG2 3.89Å; F93-T140 HydrophobicContact CZ-CG2 4.43Å; L100-T140 HydrophobicContact CD1-CG2 3.79Å; R136-T140 WeakPolarHBondContact O-CB 3.27Å; R136-T140 PolarHBondContact O-N 3.49Å; R136-T140 PolarHBondContact O-OG1 2.89Å; H137-T140 PolarHBondContact O-N 2.95Å; T140-L144 VanDerWaalsContact O-CB 3.31Å; T140-L144 WeakPolarHBondContact O-CB 3.43Å; T140-L144 PolarHBondContact O-N 3.06Å
141L97.2Very high95.3Very high0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-66.4-46.5174.1179.969.8000111.8L100 L101 L133 H137 K138 E139 F143 L144 M145 I217L100-L141 HydrophobicContact CD1-CB 4.39Å; L100-L141 HydrophobicContact CD2-CB 4.22Å; L100-L141 HydrophobicContact CD2-CD1 3.85Å; L100-L141 HydrophobicContact CG-CB 4.23Å; L100-L141 HydrophobicContact CG-CD1 4.29Å; L101-L141 HydrophobicContact CD2-CD1 3.96Å; L101-L141 HydrophobicContact CD2-CD2 3.69Å; L101-L141 HydrophobicContact CD2-CG 4.47Å; L133-L141 HydrophobicContact CD1-CD2 3.56Å; H137-L141 WeakPolarHBondContact O-CB 3.19Å; H137-L141 PolarHBondContact O-N 3.15Å; K138-L141 PolarHBondContact O-N 3.04Å; E139-L141 VanDerWaalsContact C-N 3.29Å; E139-L141 PolarHBondContact O-N 3.28Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 2.97Å; L141-L144 PolarHBondContact O-N 2.98Å; L141-M145 HydrophobicContact CD1-CE 3.64Å; L141-M145 HydrophobicContact CD1-CG 3.92Å; L141-M145 HydrophobicContact CG-CG 4.22Å; L141-M145 WeakPolarHBondContact O-CB 3.46Å; L141-M145 WeakPolarHBondContact O-CG 3.42Å; L141-M145 PolarHBondContact O-N 3.09Å; L141-I217 HydrophobicContact CD2-CG2 4.45Å
142A96Very high95.7Very high2 Ų226.8 Ų26.82%0.01714%0.143CC..Hα-helixtrans-59.4-44.9176.400000111.2F23 L25 K138 E139 R146 I217F23-A142 HydrophobicContact CE1-CB 4.38Å; L25-A142 HydrophobicContact CD2-CB 3.77Å; K138-A142 WeakPolarHBondContact O-CB 3.47Å; K138-A142 PolarHBondContact O-N 2.82Å; E139-A142 PolarHBondContact O-N 3.33Å; A142-R146 WeakPolarHBondContact O-CB 3.29Å; A142-R146 VanDerWaalsContact O-CG 3.24Å; A142-R146 WeakPolarHBondContact O-CG 3.47Å; A142-R146 PolarHBondContact O-N 2.98Å; A142-R146 VanDerWaalsContact O-N 3.11Å; A142-I217 HydrophobicContact CB-CB 4.05Å; A142-I217 HydrophobicContact CB-CG2 3.82Å
143F97.2Very high96Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-59.2-53.2174.2179.1-97.8000111.8Y17 F19 L25 V27 L31 F35 E139 L141 M145 R146 K147Y17-F143 AromaticContact CD1-CD2 3.84Å; Y17-F143 HydrophobicContact CD1-CD2 3.84Å; Y17-F143 AromaticContact CD1-CE2 3.76Å; Y17-F143 HydrophobicContact CD1-CE2 3.76Å; Y17-F143 HydrophobicContact CD2-CE2 4.36Å; Y17-F143 HydrophobicContact CE1-CD2 4.12Å; Y17-F143 AromaticContact CE1-CE2 3.83Å; Y17-F143 HydrophobicContact CE1-CE2 3.83Å; Y17-F143 HydrophobicContact CE2-CE2 4.43Å; Y17-F143 HydrophobicContact CG-CD2 4.36Å; Y17-F143 HydrophobicContact CG-CE2 4.03Å; F19-F143 HydrophobicContact CE2-CD2 4.17Å; F19-F143 AromaticContact CZ-CD2 3.83Å; F19-F143 HydrophobicContact CZ-CD2 3.83Å; F19-F143 HydrophobicContact CZ-CE2 4.47Å; L25-F143 HydrophobicContact CD1-CB 4.24Å; L25-F143 HydrophobicContact CD1-CD2 4.29Å; L25-F143 HydrophobicContact CD2-CB 4.29Å; V27-F143 HydrophobicContact CB-CD2 4.46Å; V27-F143 HydrophobicContact CB-CG 4.49Å; V27-F143 HydrophobicContact CG1-CB 4.46Å; V27-F143 HydrophobicContact CG1-CD1 3.64Å; V27-F143 HydrophobicContact CG1-CD2 4.06Å; V27-F143 HydrophobicContact CG1-CE1 3.76Å; V27-F143 HydrophobicContact CG1-CE2 4.15Å; V27-F143 HydrophobicContact CG1-CG 3.79Å; V27-F143 HydrophobicContact CG1-CZ 4.01Å; V27-F143 HydrophobicContact CG2-CB 4.03Å; V27-F143 HydrophobicContact CG2-CD1 4.45Å; V27-F143 HydrophobicContact CG2-CD2 3.54Å; V27-F143 HydrophobicContact CG2-CE2 4.06Å; V27-F143 HydrophobicContact CG2-CG 3.75Å; L31-F143 HydrophobicContact CB-CE1 4.05Å; F35-F143 HydrophobicContact CB-CE1 4.34Å; F35-F143 HydrophobicContact CB-CZ 4.16Å; F35-F143 AromaticContact CD2-CE1 3.73Å; F35-F143 HydrophobicContact CD2-CE1 3.73Å; F35-F143 HydrophobicContact CD2-CZ 4.39Å; F35-F143 HydrophobicContact CE2-CE1 4.39Å; F35-F143 HydrophobicContact CG-CE1 4.26Å; E139-F143 WeakPolarHBondContact O-CB 3.33Å; E139-F143 PolarHBondContact O-N 3.33Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 2.97Å; F143-M145 PolarHBondContact O-N 3.24Å; F143-R146 PolarHBondContact O-N 2.81Å; F143-K147 HydrophobicContact CD1-CG 4.22Å; F143-K147 HydrophobicContact CD2-CG 4.4Å; F143-K147 HydrophobicContact CE1-CG 3.87Å; F143-K147 HydrophobicContact CE2-CD 4.38Å; F143-K147 VanDerWaalsContact CE2-CE 3.48Å; F143-K147 HydrophobicContact CE2-CG 4.08Å; F143-K147 HydrophobicContact CG-CG 4.48Å; F143-K147 HydrophobicContact CZ-CD 4.21Å; F143-K147 HydrophobicContact CZ-CG 3.8Å; F143-K147 WeakPolarHBondContact O-CG 3.35Å; F143-K147 PolarHBondContact O-N 3.33Å
144L98.1Very high96.1Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-57.9-49.4-179.7177.462.4000112F35 F93 L100 T140 L141 R146 K147 L148 F169 I173F35-L144 HydrophobicContact CE2-CD1 4.09Å; F35-L144 HydrophobicContact CZ-CD1 3.76Å; F93-L144 HydrophobicContact CD1-CD2 4.45Å; F93-L144 HydrophobicContact CD2-CD2 4.36Å; F93-L144 HydrophobicContact CE1-CD2 3.97Å; F93-L144 HydrophobicContact CE2-CD1 3.72Å; F93-L144 HydrophobicContact CE2-CD2 3.87Å; F93-L144 HydrophobicContact CE2-CG 4.35Å; F93-L144 HydrophobicContact CZ-CB 4.25Å; F93-L144 HydrophobicContact CZ-CD1 3.87Å; F93-L144 HydrophobicContact CZ-CD2 3.66Å; F93-L144 HydrophobicContact CZ-CG 4.13Å; L100-L144 HydrophobicContact CD2-CD2 3.76Å; T140-L144 VanDerWaalsContact O-CB 3.31Å; T140-L144 WeakPolarHBondContact O-CB 3.43Å; T140-L144 PolarHBondContact O-N 3.06Å; L141-L144 PolarHBondContact O-N 2.98Å; L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 3.4Å; L144-K147 PolarHBondContact O-N 2.84Å; L144-L148 HydrophobicContact CD1-CD1 3.99Å; L144-L148 HydrophobicContact CD1-CD2 4.4Å; L144-L148 HydrophobicContact CD1-CG 3.95Å; L144-L148 HydrophobicContact CG-CD1 4.02Å; L144-L148 HydrophobicContact CG-CG 4.32Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 2.88Å; L144-F169 HydrophobicContact CD1-CE1 4.1Å; L144-F169 HydrophobicContact CD2-CD1 4.43Å; L144-I173 HydrophobicContact CD2-CD1 3.76Å; L144-I173 HydrophobicContact CD2-CG1 4.34Å
145M98.2Very high96.3Very high0 Ų034.2 Ų34.20%016%0.156CC..Hα-helixtrans-64.2-35.1-177.2-67.3-63.9135.700111.8L141 F143 N149 I173 I207 L210 T211 C214 I217L141-M145 HydrophobicContact CD1-CE 3.64Å; L141-M145 HydrophobicContact CD1-CG 3.92Å; L141-M145 HydrophobicContact CG-CG 4.22Å; L141-M145 WeakPolarHBondContact O-CB 3.46Å; L141-M145 WeakPolarHBondContact O-CG 3.42Å; L141-M145 PolarHBondContact O-N 3.09Å; F143-M145 PolarHBondContact O-N 3.24Å; M145-N149 WeakPolarHBondContact O-CB 3.4Å; M145-N149 PolarHBondContact O-N 2.77Å; M145-I173 HydrophobicContact CE-CD1 3.64Å; M145-I207 HydrophobicContact CE-CD1 4.23Å; M145-I207 HydrophobicContact CE-CG2 4.11Å; M145-I207 HydrophobicContact SD-CG2 4.37Å; M145-L210 HydrophobicContact CG-CB 4.18Å; M145-L210 HydrophobicContact SD-CB 3.84Å; M145-T211 PolarHBondContact SD-OG1 2.97Å; M145-C214 HydrophobicContact CB-CB 3.77Å; M145-I217 HydrophobicContact CB-CD1 3.69Å; M145-I217 HydrophobicContact CG-CD1 3.66Å
146R97.3Very high96.5Very high23 Ų2333.8 Ų33.89%0.08716%0.16CC..Hα-helixtrans-70.8-41.3174.2-69.4175.867112.28.9111.9F19 D21 A142 F143 L144 N149 K150 C214F19-R146 VanDerWaalsContact CB-NH2 3.33Å; F19-R146 HydrophobicContact CD1-CB 4.5Å; F19-R146 VanDerWaalsContact CD1-NE 3.28Å; F19-R146 HydrophobicContact CE1-CB 3.61Å; F19-R146 HydrophobicContact CE1-CG 4.4Å; F19-R146 VanDerWaalsContact CG-NE 3.32Å; F19-R146 HydrophobicContact CZ-CB 3.62Å; F19-R146 HydrophobicContact CZ-CG 4.27Å; D21-R146 IonicContact OD1-CZ 2.93Å; D21-R146 IonicContact OD1-NH1 2.61Å; D21-R146 PolarHBondContact OD1-NH1 3.11Å; D21-R146 IonicContact OD1-NH2 2.82Å; D21-R146 PolarHBondContact OD1-NH2 3.16Å; D21-R146 IonicContact OD2-CZ 3.5Å; D21-R146 VanDerWaalsContact OD2-CZ 3.28Å; D21-R146 IonicContact OD2-NH1 3.01Å; D21-R146 PolarHBondContact OD2-NH1 3.01Å; D21-R146 IonicContact OD2-NH2 2.61Å; D21-R146 PolarHBondContact OD2-NH2 3.23Å; A142-R146 WeakPolarHBondContact O-CB 3.29Å; A142-R146 VanDerWaalsContact O-CG 3.24Å; A142-R146 WeakPolarHBondContact O-CG 3.47Å; A142-R146 PolarHBondContact O-N 2.98Å; A142-R146 VanDerWaalsContact O-N 3.11Å; F143-R146 PolarHBondContact O-N 2.81Å; L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 3.4Å; R146-N149 WeakPolarHBondContact O-CB 3.26Å; R146-N149 PolarHBondContact O-N 3.04Å; R146-K150 PolarHBondContact O-N 2.83Å; R146-C214 HydrophobicContact CG-CB 3.77Å
147K97.6Very high96.7Very high5 Ų534.1 Ų34.12%0.02217%0.165CC..Hα-helixtrans-65.3-40.4174.9-68.9-65.8179.7-172.90112.8Y17 F35 E39 F143 L144 N149 K150 V151Y17-K147 PolarHBondContact OH-NZ 3.45Å; F35-K147 HydrophobicContact CB-CD 4.01Å; F35-K147 HydrophobicContact CB-CG 4.19Å; F35-K147 HydrophobicContact CD1-CB 3.59Å; F35-K147 HydrophobicContact CD1-CD 4.16Å; F35-K147 HydrophobicContact CD1-CG 3.92Å; F35-K147 HydrophobicContact CD2-CG 4.4Å; F35-K147 HydrophobicContact CE1-CB 3.61Å; F35-K147 HydrophobicContact CE1-CG 4.38Å; F35-K147 HydrophobicContact CG-CB 4.07Å; F35-K147 HydrophobicContact CG-CD 4.2Å; F35-K147 HydrophobicContact CG-CG 3.92Å; F35-K147 HydrophobicContact CZ-CB 4.1Å; E39-K147 WeakPolarHBondContact OE1-CD 3.46Å; E39-K147 IonicContact OE1-NZ 2.72Å; E39-K147 PolarHBondContact OE1-NZ 2.8Å; E39-K147 IonicContact OE2-NZ 2.9Å; E39-K147 PolarHBondContact OE2-NZ 3.16Å; F143-K147 HydrophobicContact CD1-CG 4.22Å; F143-K147 HydrophobicContact CD2-CG 4.4Å; F143-K147 HydrophobicContact CE1-CG 3.87Å; F143-K147 HydrophobicContact CE2-CD 4.38Å; F143-K147 VanDerWaalsContact CE2-CE 3.48Å; F143-K147 HydrophobicContact CE2-CG 4.08Å; F143-K147 HydrophobicContact CG-CG 4.48Å; F143-K147 HydrophobicContact CZ-CD 4.21Å; F143-K147 HydrophobicContact CZ-CG 3.8Å; F143-K147 WeakPolarHBondContact O-CG 3.35Å; F143-K147 PolarHBondContact O-N 3.33Å; L144-K147 PolarHBondContact O-N 2.84Å; K147-N149 VanDerWaalsContact C-N 3.35Å; K147-K150 WeakPolarHBondContact O-CB 3.22Å; K147-K150 PolarHBondContact O-N 3.19Å; K147-V151 WeakPolarHBondContact O-CG2 3.32Å; K147-V151 PolarHBondContact O-N 3.27Å; K147-V151 VanDerWaalsContact O-N 3.09Å
148L98.3Very high96.7Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-66.2-36.5173.3-66.4-179.8000112.3F49 L144 K150 V151 A152 L165 F169 T211F49-L148 HydrophobicContact CE2-CD2 4.21Å; F49-L148 HydrophobicContact CZ-CD2 4.46Å; L144-L148 HydrophobicContact CD1-CD1 3.99Å; L144-L148 HydrophobicContact CD1-CD2 4.4Å; L144-L148 HydrophobicContact CD1-CG 3.95Å; L144-L148 HydrophobicContact CG-CD1 4.02Å; L144-L148 HydrophobicContact CG-CG 4.32Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 2.88Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-V151 PolarHBondContact O-N 2.96Å; L148-A152 PolarHBondContact O-N 2.92Å; L148-A152 VanDerWaalsContact O-N 3.07Å; L148-L165 HydrophobicContact CB-CD1 4.42Å; L148-L165 VanDerWaalsContact O-CD1 3.31Å; L148-L165 WeakPolarHBondContact O-CD1 3.43Å; L148-F169 HydrophobicContact CD1-CB 4.35Å; L148-F169 HydrophobicContact CD1-CD1 4.14Å; L148-F169 HydrophobicContact CD1-CD2 3.78Å; L148-F169 HydrophobicContact CD1-CE1 4.41Å; L148-F169 HydrophobicContact CD1-CE2 4.08Å; L148-F169 HydrophobicContact CD1-CG 3.81Å; L148-F169 HydrophobicContact CD1-CZ 4.37Å; L148-F169 HydrophobicContact CD2-CD2 3.91Å; L148-F169 HydrophobicContact CD2-CE2 3.41Å; L148-F169 VanDerWaalsContact CD2-CE2 3.41Å; L148-F169 HydrophobicContact CD2-CZ 3.75Å; L148-F169 HydrophobicContact CG-CE2 4.39Å; L148-T211 HydrophobicContact CB-CG2 4.08Å
149N97.6Very high96.8Very high28 Ų2836 Ų3615%0.1517%0.173CC..Hα-helixtrans-60.5-44.3172-165.7-86.4000110.9M145 R146 K147 V151 A152 E153 T211M145-N149 WeakPolarHBondContact O-CB 3.4Å; M145-N149 PolarHBondContact O-N 2.77Å; R146-N149 WeakPolarHBondContact O-CB 3.26Å; R146-N149 PolarHBondContact O-N 3.04Å; K147-N149 VanDerWaalsContact C-N 3.35Å; N149-V151 VanDerWaalsContact C-N 3.34Å; N149-V151 PolarHBondContact O-N 3.14Å; N149-A152 CarbonylContact O-C 3.4Å; N149-A152 WeakPolarHBondContact O-CA 3.37Å; N149-A152 WeakPolarHBondContact O-CB 3.2Å; N149-A152 PolarHBondContact O-N 2.94Å; N149-E153 PolarHBondContact O-N 2.73Å; N149-T211 HydrophobicContact CB-CG2 4.11Å; N149-T211 PolarHBondContact ND2-O 3.2Å
150K96.8Very high96.9Very high80 Ų8033.9 Ų33.935%0.34816%0.163SC..Hα-helixtrans-59.3-39.8176.2-167.553.5168.4-177.10113.3R146 K147 L148 E153 H154R146-K150 PolarHBondContact O-N 2.83Å; K147-K150 WeakPolarHBondContact O-CB 3.22Å; K147-K150 PolarHBondContact O-N 3.19Å; L148-K150 VanDerWaalsContact C-N 3.34Å; K150-E153 WeakPolarHBondContact CD-OE2 3.3Å; K150-E153 IonicContact NZ-OE2 2.69Å; K150-E153 PolarHBondContact NZ-OE2 2.86Å; K150-E153 WeakPolarHBondContact O-CB 3.33Å; K150-E153 PolarHBondContact O-N 3.5Å; K150-H154 PolarHBondContact O-ND1 2.61Å
151V97.8Very high96.9Very high0 Ų035.9 Ų35.90%017%0.174CC..Hα-helixtrans-65-38.7173.7176.40000111.5L38 L43 I48 F49 K147 L148 N149 H154 N158 L165L38-V151 HydrophobicContact CD2-CG2 3.9Å; L43-V151 HydrophobicContact CD1-CB 4.39Å; L43-V151 HydrophobicContact CD1-CG2 3.9Å; I48-V151 HydrophobicContact CG2-CG1 3.66Å; F49-V151 HydrophobicContact CE2-CG2 4.26Å; K147-V151 WeakPolarHBondContact O-CG2 3.32Å; K147-V151 PolarHBondContact O-N 3.27Å; K147-V151 VanDerWaalsContact O-N 3.09Å; L148-V151 PolarHBondContact O-N 2.96Å; N149-V151 VanDerWaalsContact C-N 3.34Å; N149-V151 PolarHBondContact O-N 3.14Å; V151-H154 PolarHBondContact O-N 3.46Å; V151-N158 PolarHBondContact O-ND2 3.24Å; V151-L165 HydrophobicContact CB-CD1 4.08Å; V151-L165 HydrophobicContact CG1-CD1 3.99Å; V151-L165 HydrophobicContact CG1-CD2 4.4Å
152A97.5Very high97Very high3 Ų337.9 Ų37.93%0.02518%0.184CC..Hα-helixtrans-74.4-20.9178.300000115L148 N149 H154 R155 M160 I162 L165L148-A152 PolarHBondContact O-N 2.92Å; L148-A152 VanDerWaalsContact O-N 3.07Å; N149-A152 CarbonylContact O-C 3.4Å; N149-A152 WeakPolarHBondContact O-CA 3.37Å; N149-A152 WeakPolarHBondContact O-CB 3.2Å; N149-A152 PolarHBondContact O-N 2.94Å; A152-H154 PolarHBondContact O-N 3.03Å; A152-R155 WeakPolarHBondContact O-CB 3.34Å; A152-R155 WeakPolarHBondContact O-CG 3.47Å; A152-R155 PolarHBondContact O-N 3.01Å; A152-R155 PolarHBondContact O-NH1 2.77Å; A152-M160 WeakPolarHBondContact CA-O 3.42Å; A152-I162 HydrophobicContact CB-CB 4.49Å; A152-I162 HydrophobicContact CB-CG1 3.51Å; A152-L165 HydrophobicContact CB-CD1 4.06Å
153E96.6Very high97Very high88 Ų8841.1 Ų41.141%0.41120%0.204SC..Hα-helixtrans-59.8-37.2166.4-69180166.600110.4N149 K150 R155N149-E153 PolarHBondContact O-N 2.73Å; K150-E153 WeakPolarHBondContact CD-OE2 3.3Å; K150-E153 IonicContact NZ-OE2 2.69Å; K150-E153 PolarHBondContact NZ-OE2 2.86Å; K150-E153 WeakPolarHBondContact O-CB 3.33Å; K150-E153 PolarHBondContact O-N 3.5Å; E153-R155 VanDerWaalsContact C-N 3.28Å; E153-R155 PolarHBondContact O-N 3.46Å
154H96.2Very high97Very high52 Ų5244.4 Ų44.424%0.24122%0.221CC..THydrogen-bonded Turntrans-8713.2-176-63.275.6000114.1L43 K150 V151 A152 A156 Q157 N158L43-H154 HydrophobicContact CD1-CB 4.49Å; L43-H154 HydrophobicContact CG-CB 4.1Å; K150-H154 PolarHBondContact O-ND1 2.61Å; V151-H154 PolarHBondContact O-N 3.46Å; A152-H154 PolarHBondContact O-N 3.03Å; H154-A156 PolarHBondContact O-N 3.15Å; H154-Q157 PolarHBondContact O-N 3.42Å; H154-N158 PolarHBondContact O-N 3.46Å; H154-N158 VanDerWaalsContact O-N 3.11Å
155R96.2Very high97Very high144 Ų14444.4 Ų44.454%0.54322%0.221SC..Hα-helixtrans-54.5-26-17769.5-177175.1-76.4-1.9115.3A152 E153 Q157 N158 K159 M160 D161A152-R155 WeakPolarHBondContact O-CB 3.34Å; A152-R155 WeakPolarHBondContact O-CG 3.47Å; A152-R155 PolarHBondContact O-N 3.01Å; A152-R155 PolarHBondContact O-NH1 2.77Å; E153-R155 VanDerWaalsContact C-N 3.28Å; E153-R155 PolarHBondContact O-N 3.46Å; R155-Q157 PolarHBondContact O-N 3.08Å; R155-N158 WeakPolarHBondContact CA-OD1 3.15Å; R155-K159 VanDerWaalsContact O-CA 3.24Å; R155-K159 WeakPolarHBondContact O-CA 3.46Å; R155-K159 PolarHBondContact O-N 3.08Å; R155-M160 VanDerWaalsContact CB-O 3.31Å; R155-M160 WeakPolarHBondContact CB-O 3.37Å; R155-D161 HydrophobicContact CB-CB 4.4Å
156A95.6Very high97Very high78 Ų7844.4 Ų44.465%0.64522%0.221SC*.Hα-helixtrans-58.4-38.2176.300000112.1H154 K159H154-A156 PolarHBondContact O-N 3.15Å; A156-K159 PolarHBondContact O-NZ 3.04Å
157Q94.7Very high97Very high102 Ų10246.8 Ų46.848%0.47724%0.239SC..Hα-helixtrans-93.7-56.3178.3-58.5-174.633.800110.8N44 H154 R155 K159N44-Q157 PolarHBondContact ND2-OE1 3.36Å; N44-Q157 PolarHBondContact OD1-OE1 2.87Å; H154-Q157 PolarHBondContact O-N 3.42Å; R155-Q157 PolarHBondContact O-N 3.08Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 3.45Å
158N95.9Very high96.9Very high0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-79.2-7.6-171.369.531.3000114.9L43 R45 E46 G47 I48 V151 H154 R155 M160L43-N158 WeakPolarHBondContact O-CB 3.16Å; L43-N158 PolarHBondContact O-ND2 3.36Å; R45-N158 WeakPolarHBondContact O-CB 3.24Å; E46-N158 CarbonylContact C-O 3.5Å; E46-N158 WeakPolarHBondContact CA-O 3.22Å; G47-N158 PolarHBondContact N-O 2.65Å; I48-N158 HydrophobicContact CG2-CB 3.99Å; V151-N158 PolarHBondContact O-ND2 3.24Å; H154-N158 PolarHBondContact O-N 3.46Å; H154-N158 VanDerWaalsContact O-N 3.11Å; R155-N158 WeakPolarHBondContact CA-OD1 3.15Å; N158-M160 PolarHBondContact O-N 2.97Å; N158-M160 WeakPolarHBondContact OD1-CB 3.39Å; N158-M160 PolarHBondContact OD1-N 3.42Å; N158-M160 PolarHBondContact OD1-O 3Å
159K96.4Very high96.9Very high105 Ų10548.1 Ų48.146%0.45725%0.246SC..  trans58.927.2-179.9-43.4-55.6-179.1-172.20114.6E46 R155 A156 Q157E46-K159 HydrophobicContact CG-CG 4.26Å; E46-K159 WeakPolarHBondContact OE1-CE 3.36Å; R155-K159 VanDerWaalsContact O-CA 3.24Å; R155-K159 WeakPolarHBondContact O-CA 3.46Å; R155-K159 PolarHBondContact O-N 3.08Å; A156-K159 PolarHBondContact O-NZ 3.04Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 3.45Å
160M96.9Very high96.9Very high0 Ų047 Ų470%024%0.24CC..  trans-122.8106.4179.7-64.1-59-58.600110.3I48 R50 A152 R155 N158 N164 L165 I168I48-M160 HydrophobicContact CG2-CB 4.17Å; I48-M160 HydrophobicContact CG2-CG 3.81Å; I48-M160 WeakPolarHBondContact O-CG 3.41Å; R50-M160 HydrophobicContact CB-CE 3.8Å; R50-M160 HydrophobicContact CB-SD 3.66Å; R50-M160 HydrophobicContact CG-SD 4.41Å; A152-M160 WeakPolarHBondContact CA-O 3.42Å; R155-M160 VanDerWaalsContact CB-O 3.31Å; R155-M160 WeakPolarHBondContact CB-O 3.37Å; N158-M160 PolarHBondContact O-N 2.97Å; N158-M160 WeakPolarHBondContact OD1-CB 3.39Å; N158-M160 PolarHBondContact OD1-N 3.42Å; N158-M160 PolarHBondContact OD1-O 3Å; M160-N164 HydrophobicContact CE-CB 3.61Å; M160-N164 HydrophobicContact SD-CB 4.33Å; M160-L165 HydrophobicContact CB-CD2 4.29Å; M160-L165 HydrophobicContact CB-CG 4.38Å; M160-L165 HydrophobicContact CE-CD2 3.92Å; M160-L165 HydrophobicContact CE-CG 4.37Å; M160-I168 HydrophobicContact CE-CD1 3.38Å
161D97.4Very high96.8Very high44 Ų4447.4 Ų47.424%0.23525%0.251CS..  trans-93.6-178.2174.581.6-46.9000111.8R155 V163 N164 L165R155-D161 HydrophobicContact CB-CB 4.4Å; D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.41Å; D161-V163 WeakPolarHBondContact OD2-CB 3.42Å; D161-V163 WeakPolarHBondContact OD2-CG2 3.46Å; D161-V163 PolarHBondContact OD2-N 2.85Å; D161-V163 VanDerWaalsContact OD2-N 3.09Å; D161-N164 PolarHBondContact O-N 3.4Å; D161-N164 VanDerWaalsContact OD1-CB 3.25Å; D161-N164 WeakPolarHBondContact OD1-CB 3.3Å; D161-N164 VanDerWaalsContact OD1-CG 3.3Å; D161-N164 PolarHBondContact OD1-N 3.32Å; D161-N164 PolarHBondContact OD1-ND2 3.4Å; D161-L165 WeakPolarHBondContact O-CG 3.49Å; D161-L165 PolarHBondContact O-N 3.45Å
162I97.9Very high96.7Very high42 Ų4247.8 Ų47.822%0.21525%0.253CS..Hα-helixtrans-62.2-35.9-179.4-55.7-179.8000111.3A152 A166 R208 T211A152-I162 HydrophobicContact CB-CB 4.49Å; A152-I162 HydrophobicContact CB-CG1 3.51Å; I162-A166 WeakPolarHBondContact O-CB 3.45Å; I162-A166 PolarHBondContact O-N 3.3Å; I162-R208 HydrophobicContact CG2-CG 3.86Å; I162-T211 HydrophobicContact CG1-CG2 4.48Å; I162-T211 HydrophobicContact CG2-CG2 3.81Å
163V97Very high96.6Very high70 Ų7047.7 Ų47.742%0.42425%0.252SS..Hα-helixtrans-69.2-45.5-179.4-175.50000111.2D161 A166 T167D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.41Å; D161-V163 WeakPolarHBondContact OD2-CB 3.42Å; D161-V163 WeakPolarHBondContact OD2-CG2 3.46Å; D161-V163 PolarHBondContact OD2-N 2.85Å; D161-V163 VanDerWaalsContact OD2-N 3.09Å; V163-A166 PolarHBondContact O-N 2.79Å; V163-T167 PolarHBondContact O-N 3.48Å; V163-T167 PolarHBondContact O-OG1 2.91Å
164N96.8Very high96.5Very high68 Ų6844 Ų4436%0.36424%0.235SC..Hα-helixtrans-64.8-41.3177.3-78.1-63.2000112M160 D161 T167 I168M160-N164 HydrophobicContact CE-CB 3.61Å; M160-N164 HydrophobicContact SD-CB 4.33Å; D161-N164 PolarHBondContact O-N 3.4Å; D161-N164 VanDerWaalsContact OD1-CB 3.25Å; D161-N164 WeakPolarHBondContact OD1-CB 3.3Å; D161-N164 VanDerWaalsContact OD1-CG 3.3Å; D161-N164 PolarHBondContact OD1-N 3.32Å; D161-N164 PolarHBondContact OD1-ND2 3.4Å; N164-T167 PolarHBondContact O-N 2.8Å; N164-I168 WeakPolarHBondContact O-CD1 2.83Å; N164-I168 WeakPolarHBondContact O-CG1 3.18Å; N164-I168 PolarHBondContact O-N 3.11Å
165L98.3Very high96.2Very high0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-65.6-42.2175.1-68.9175000112F49 L148 V151 A152 M160 D161 T167 I168 F169F49-L165 HydrophobicContact CB-CD2 4.13Å; F49-L165 HydrophobicContact CD2-CD2 3.88Å; F49-L165 HydrophobicContact CG-CD2 4.35Å; L148-L165 HydrophobicContact CB-CD1 4.42Å; L148-L165 VanDerWaalsContact O-CD1 3.31Å; L148-L165 WeakPolarHBondContact O-CD1 3.43Å; V151-L165 HydrophobicContact CB-CD1 4.08Å; V151-L165 HydrophobicContact CG1-CD1 3.99Å; V151-L165 HydrophobicContact CG1-CD2 4.4Å; A152-L165 HydrophobicContact CB-CD1 4.06Å; M160-L165 HydrophobicContact CB-CD2 4.29Å; M160-L165 HydrophobicContact CB-CG 4.38Å; M160-L165 HydrophobicContact CE-CD2 3.92Å; M160-L165 HydrophobicContact CE-CG 4.37Å; D161-L165 WeakPolarHBondContact O-CG 3.49Å; D161-L165 PolarHBondContact O-N 3.45Å; L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.48Å; L165-I168 PolarHBondContact O-N 2.84Å; L165-I168 VanDerWaalsContact O-N 3.15Å; L165-F169 WeakPolarHBondContact O-CD2 3.49Å; L165-F169 PolarHBondContact O-N 3.29Å
166A98.1Very high95.5Very high0 Ų043.8 Ų43.80%024%0.242CC..Hα-helixtrans-61-42.8177.200000112.2I162 V163 I168 F169 A170 T204 I207 R208I162-A166 WeakPolarHBondContact O-CB 3.45Å; I162-A166 PolarHBondContact O-N 3.3Å; V163-A166 PolarHBondContact O-N 2.79Å; A166-I168 PolarHBondContact O-N 3.16Å; A166-F169 PolarHBondContact O-N 3.41Å; A166-A170 WeakPolarHBondContact O-CB 3.38Å; A166-A170 PolarHBondContact O-N 3.05Å; A166-T204 HydrophobicContact CB-CG2 4.02Å; A166-I207 HydrophobicContact CB-CB 4.08Å; A166-I207 HydrophobicContact CB-CG2 3.99Å; A166-R208 HydrophobicContact CB-CB 3.81Å; A166-R208 HydrophobicContact CB-CG 4.44Å
167T96.4Very high94Very high74 Ų7443.7 Ų43.745%0.45423%0.23SC..Hα-helixtrans-59.1-35.3175.7-54.40000112V163 N164 L165 P171V163-T167 PolarHBondContact O-N 3.48Å; V163-T167 PolarHBondContact O-OG1 2.91Å; N164-T167 PolarHBondContact O-N 2.8Å; L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.48Å; T167-P171 WeakPolarHBondContact O-CD 3.38Å
168I97.4Very high92.1Very high33 Ų3343.5 Ų43.517%0.16925%0.246CC..Hα-helixtrans-77.6-41177.9-67.6158.9000111.8F49 R50 K90 M160 N164 L165 A166 P171 V172F49-I168 HydrophobicContact CB-CD1 4.38Å; F49-I168 HydrophobicContact CB-CG2 4.37Å; R50-I168 HydrophobicContact CB-CD1 3.73Å; R50-I168 HydrophobicContact CG-CD1 4.36Å; K90-I168 HydrophobicContact CD-CG2 3.75Å; M160-I168 HydrophobicContact CE-CD1 3.38Å; N164-I168 WeakPolarHBondContact O-CD1 2.83Å; N164-I168 WeakPolarHBondContact O-CG1 3.18Å; N164-I168 PolarHBondContact O-N 3.11Å; L165-I168 PolarHBondContact O-N 2.84Å; L165-I168 VanDerWaalsContact O-N 3.15Å; A166-I168 PolarHBondContact O-N 3.16Å; I168-P171 WeakPolarHBondContact O-CD 3.47Å; I168-V172 WeakPolarHBondContact O-CG2 3.38Å
169F98Very high89.8Confident0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-85-20.2-173.9-87.3-88.5000114.2F49 K90 F93 L144 L148 L165 A166 V172 I173 I207F49-F169 HydrophobicContact CB-CE2 4.26Å; F49-F169 AromaticContact CD1-CE2 3.65Å; F49-F169 HydrophobicContact CD1-CE2 3.65Å; F49-F169 AromaticContact CD1-CZ 3.64Å; F49-F169 HydrophobicContact CD1-CZ 3.64Å; F49-F169 HydrophobicContact CD2-CE2 4.31Å; F49-F169 HydrophobicContact CE1-CE2 4.02Å; F49-F169 AromaticContact CE1-CZ 3.63Å; F49-F169 HydrophobicContact CE1-CZ 3.63Å; F49-F169 AromaticContact CG-CE2 3.81Å; F49-F169 HydrophobicContact CG-CE2 3.81Å; F49-F169 HydrophobicContact CG-CZ 4.27Å; F49-F169 HydrophobicContact CZ-CE2 4.49Å; F49-F169 HydrophobicContact CZ-CZ 4.23Å; K90-F169 HydrophobicContact CG-CE1 4.3Å; K90-F169 HydrophobicContact CG-CZ 4.1Å; F93-F169 HydrophobicContact CD2-CE1 4.31Å; L144-F169 HydrophobicContact CD1-CE1 4.1Å; L144-F169 HydrophobicContact CD2-CD1 4.43Å; L148-F169 HydrophobicContact CD1-CB 4.35Å; L148-F169 HydrophobicContact CD1-CD1 4.14Å; L148-F169 HydrophobicContact CD1-CD2 3.78Å; L148-F169 HydrophobicContact CD1-CE1 4.41Å; L148-F169 HydrophobicContact CD1-CE2 4.08Å; L148-F169 HydrophobicContact CD1-CG 3.81Å; L148-F169 HydrophobicContact CD1-CZ 4.37Å; L148-F169 HydrophobicContact CD2-CD2 3.91Å; L148-F169 HydrophobicContact CD2-CE2 3.41Å; L148-F169 VanDerWaalsContact CD2-CE2 3.41Å; L148-F169 HydrophobicContact CD2-CZ 3.75Å; L148-F169 HydrophobicContact CG-CE2 4.39Å; L165-F169 WeakPolarHBondContact O-CD2 3.49Å; L165-F169 PolarHBondContact O-N 3.29Å; A166-F169 PolarHBondContact O-N 3.41Å; F169-V172 HydrophobicContact CD1-CB 4.32Å; F169-V172 HydrophobicContact CD1-CG1 4.03Å; F169-V172 HydrophobicContact CE1-CG1 4.29Å; F169-V172 WeakPolarHBondContact O-CB 3.43Å; F169-V172 PolarHBondContact O-N 3.24Å; F169-V172 VanDerWaalsContact O-N 3.08Å; F169-I173 HydrophobicContact CB-CD1 3.99Å; F169-I173 HydrophobicContact CD1-CD1 4.13Å; F169-I173 HydrophobicContact CD1-CG1 4.37Å; F169-I173 WeakPolarHBondContact O-CB 3.48Å; F169-I173 WeakPolarHBondContact O-CG1 3.38Å; F169-I173 PolarHBondContact O-N 3.37Å; F169-I207 HydrophobicContact CB-CG2 4.2Å
170A96.6Very high87.3Confident3 Ų349 Ų493%0.02529%0.29CS..Hα-helixtrans-53-56.2173.800000113.2A166 V172 I173 F174 K203 I207A166-A170 WeakPolarHBondContact O-CB 3.38Å; A166-A170 PolarHBondContact O-N 3.05Å; A170-V172 PolarHBondContact O-N 3.48Å; A170-I173 PolarHBondContact O-N 2.93Å; A170-F174 WeakPolarHBondContact O-CB 2.98Å; A170-F174 WeakPolarHBondContact O-CD2 3.29Å; A170-F174 PolarHBondContact O-N 3.37Å; A170-K203 HydrophobicContact CB-CB 4.24Å; A170-I207 HydrophobicContact CB-CG1 4.32Å
171P94.4Very high84.8Confident89 Ų8957.3 Ų57.358%0.57832%0.322SS*.Hα-helixtrans-74.2-1.9176.532.2-38.5000114.7T167 I168T167-P171 WeakPolarHBondContact O-CD 3.38Å; I168-P171 WeakPolarHBondContact O-CD 3.47Å
172V95.6Very high82.3Confident9 Ų963.9 Ų63.96%0.05535%0.352CS..Hα-helixtrans-93.4-36.1174.7168.10000110.9K90 F93 R94 I168 F169 A170K90-V172 HydrophobicContact CB-CG1 4.26Å; K90-V172 HydrophobicContact CB-CG2 4.07Å; K90-V172 HydrophobicContact CD-CG2 4.29Å; K90-V172 HydrophobicContact CG-CG1 4.43Å; K90-V172 HydrophobicContact CG-CG2 4.07Å; F93-V172 HydrophobicContact CB-CG1 3.62Å; F93-V172 HydrophobicContact CD2-CG1 4.47Å; F93-V172 HydrophobicContact CG-CG1 4.44Å; R94-V172 HydrophobicContact CG-CB 4.47Å; R94-V172 HydrophobicContact CG-CG1 4.3Å; R94-V172 HydrophobicContact CG-CG2 4.5Å; I168-V172 WeakPolarHBondContact O-CG2 3.38Å; F169-V172 HydrophobicContact CD1-CB 4.32Å; F169-V172 HydrophobicContact CD1-CG1 4.03Å; F169-V172 HydrophobicContact CE1-CG1 4.29Å; F169-V172 WeakPolarHBondContact O-CB 3.43Å; F169-V172 PolarHBondContact O-N 3.24Å; F169-V172 VanDerWaalsContact O-N 3.08Å; A170-V172 PolarHBondContact O-N 3.48Å
173I96.8Very high79.8Confident1 Ų166.2 Ų66.21%0.00537%0.37CS..Hα-helixtrans-94.7-43.9-176-67.7170.8000111.4L100 L101 L144 M145 F169 A170 I207L100-I173 HydrophobicContact CB-CG2 4.36Å; L101-I173 HydrophobicContact CB-CG2 4.42Å; L101-I173 HydrophobicContact CD1-CG2 3.63Å; L101-I173 HydrophobicContact CG-CG2 3.57Å; L144-I173 HydrophobicContact CD2-CD1 3.76Å; L144-I173 HydrophobicContact CD2-CG1 4.34Å; M145-I173 HydrophobicContact CE-CD1 3.64Å; F169-I173 HydrophobicContact CB-CD1 3.99Å; F169-I173 HydrophobicContact CD1-CD1 4.13Å; F169-I173 HydrophobicContact CD1-CG1 4.37Å; F169-I173 WeakPolarHBondContact O-CB 3.48Å; F169-I173 WeakPolarHBondContact O-CG1 3.38Å; F169-I173 PolarHBondContact O-N 3.37Å; A170-I173 PolarHBondContact O-N 2.93Å; I173-I207 HydrophobicContact CB-CD1 4.23Å; I173-I207 HydrophobicContact CD1-CD1 3.71Å; I173-I207 HydrophobicContact CD1-CG1 4.4Å; I173-I207 HydrophobicContact CG2-CD1 4Å
174F94.8Very high77.5Confident9 Ų970.2 Ų70.24%0.03938%0.381CS..  trans-78.7132.1171.2-70.4-91.9000109.3L101 Q106 F109 V110 A170 K203 V206 I207L101-F174 HydrophobicContact CD1-CD2 4.47Å; L101-F174 HydrophobicContact CD1-CE1 4.1Å; L101-F174 HydrophobicContact CD1-CE2 3.86Å; L101-F174 HydrophobicContact CD1-CZ 3.65Å; Q106-F174 HydrophobicContact CB-CD1 4.08Å; Q106-F174 HydrophobicContact CB-CE1 4.19Å; Q106-F174 HydrophobicContact CG-CD1 3.6Å; Q106-F174 HydrophobicContact CG-CE1 3.93Å; F109-F174 HydrophobicContact CB-CE1 4.42Å; F109-F174 HydrophobicContact CB-CZ 4.38Å; V110-F174 HydrophobicContact CG2-CD1 4.42Å; V110-F174 HydrophobicContact CG2-CE1 3.73Å; V110-F174 HydrophobicContact CG2-CZ 4.21Å; A170-F174 WeakPolarHBondContact O-CB 2.98Å; A170-F174 WeakPolarHBondContact O-CD2 3.29Å; A170-F174 PolarHBondContact O-N 3.37Å; F174-K203 HydrophobicContact CB-CD 3.86Å; F174-K203 HydrophobicContact CB-CG 4.27Å; F174-K203 HydrophobicContact CD1-CD 4.12Å; F174-K203 HydrophobicContact CD1-CG 3.77Å; F174-K203 HydrophobicContact CD2-CB 3.74Å; F174-K203 HydrophobicContact CD2-CD 4.38Å; F174-K203 HydrophobicContact CD2-CG 3.89Å; F174-K203 HydrophobicContact CE1-CG 4.03Å; F174-K203 HydrophobicContact CE2-CB 3.86Å; F174-K203 HydrophobicContact CE2-CG 4.12Å; F174-K203 WeakPolarHBondContact CE2-O 3.4Å; F174-K203 HydrophobicContact CG-CB 4.09Å; F174-K203 HydrophobicContact CG-CD 3.87Å; F174-K203 HydrophobicContact CG-CG 3.71Å; F174-K203 HydrophobicContact CZ-CB 4.32Å; F174-K203 HydrophobicContact CZ-CG 4.18Å; F174-V206 HydrophobicContact CE2-CB 4.2Å; F174-V206 HydrophobicContact CE2-CG1 4.22Å; F174-V206 HydrophobicContact CZ-CB 3.95Å; F174-V206 HydrophobicContact CZ-CG1 3.85Å; F174-V206 HydrophobicContact CZ-CG2 4.14Å; F174-I207 HydrophobicContact CD2-CD1 4.45Å; F174-I207 HydrophobicContact CE2-CD1 3.9Å; F174-I207 HydrophobicContact CE2-CG1 4.09Å
175R89.2Confident74.9Confident64 Ų6473.1 Ų73.124%0.24241%0.407CS..  trans-130.9121.9176.8-62.1-171.370.5-177.25.5107.9R94 L96 P99 F103 Q106 N177R94-R175 PolarHBondContact O-NH1 2.94Å; R94-R175 PolarHBondContact O-NH2 3.49Å; L96-R175 PolarHBondContact O-NH1 3.42Å; P99-R175 HydrophobicContact CB-CB 4.16Å; P99-R175 HydrophobicContact CB-CG 4Å; P99-R175 HydrophobicContact CG-CB 4.36Å; F103-R175 HydrophobicContact CE1-CB 3.96Å; F103-R175 VanDerWaalsContact CE1-O 3.24Å; F103-R175 WeakPolarHBondContact CE1-O 3.34Å; F103-R175 HydrophobicContact CZ-CB 4.36Å; Q106-R175 PolarHBondContact NE2-O 3.49Å; Q106-R175 PolarHBondContact OE1-O 3.31Å; R175-N177 PolarHBondContact O-N 3.34Å
176D80.6Confident72.8Confident129 Ų12977.1 Ų77.169%0.6945%0.448SS*.  trans-69.6129.5173.3-53.2-45.4000108.3K203D176-K203 IonicContact OD1-NZ 3.56Å; D176-K203 PolarHBondContact OD1-NZ 3.29Å
177N65.5Low70.6Confident76 Ų7682 Ų8241%0.40647%0.471SS..  trans-72.8134.2177.5-160.7-11.3000108.3F103 R175 N179 A180F103-N177 HydrophobicContact CD1-CB 3.72Å; F103-N177 HydrophobicContact CE1-CB 3.89Å; F103-N177 HydrophobicContact CG-CB 4.41Å; R175-N177 PolarHBondContact O-N 3.34Å; N177-N179 PolarHBondContact O-N 2.99Å; N177-A180 HydrophobicContact CB-CB 4.22Å; N177-A180 VanDerWaalsContact O-CB 3.27Å; N177-A180 WeakPolarHBondContact O-CB 3.38Å; N177-A180 PolarHBondContact O-N 3.14Å
178A54.8Low68.6Low98 Ų9880.8 Ų80.881%0.8147%0.469SS*.THydrogen-bonded Turntrans-57.6-23.8-169.400000113.7
179N45.9Very low66.7Low153 Ų15384.4 Ų84.482%0.81849%0.487SS*.THydrogen-bonded Turntrans-89.4-3.3-178.9-59.4-10.2000114N177N177-N179 PolarHBondContact O-N 2.99Å
180A45.4Very low64.8Low68 Ų6886.1 Ų86.156%0.56250%0.498SS*.SBendtrans-91.2-9.5-159.200000117N177N177-A180 HydrophobicContact CB-CB 4.22Å; N177-A180 VanDerWaalsContact O-CB 3.27Å; N177-A180 WeakPolarHBondContact O-CB 3.38Å; N177-A180 PolarHBondContact O-N 3.14Å
181Y43.7Very low63Low173 Ų17389.5 Ų89.568%0.67852%0.516SS*.  trans-149.197.9-179.7-141.8-93.7000113.9
182Q44.2Very low61.2Low183 Ų18387.5 Ų87.586%0.85550%0.502SS*.PPolyproline II helixtrans-93.6118.6154.7-72-172.5-10.600108.1K184Q182-K184 PolarHBondContact O-N 3.48Å
183P46.4Very low59.2Low91 Ų9192.3 Ų92.359%0.59153%0.525SS*.PPolyproline II helixtrans-64.3128.8175.126.9-32.8000109.2S185P183-S185 PolarHBondContact O-N 3.39Å
184K49.4Very low57Low153 Ų15395.5 Ų95.567%0.66555%0.547SS*.PPolyproline II helixtrans-63.3133.6177-67.7178.6180179.40109.6Q182 G186 Q187Q182-K184 PolarHBondContact O-N 3.48Å; K184-G186 PolarHBondContact O-N 2.66Å; K184-Q187 PolarHBondContact O-N 2.69Å; K184-Q187 VanDerWaalsContact O-N 3.16Å
185S42.1Very low55.4Low129 Ų12997.3 Ų97.390%0.90256%0.564SS**THydrogen-bonded Turntrans-54.5127.3173.540.40000110.1P183P183-S185 PolarHBondContact O-N 3.39Å
186G53.3Low54.8Low84 Ų8497.6 Ų97.687%0.86658%0.576SS**THydrogen-bonded Turntrans91.7-0.6-178.700000116.7K184 A188K184-G186 PolarHBondContact O-N 2.66Å; G186-A188 PolarHBondContact O-N 2.92Å
187Q52.4Low54.6Low104 Ų10499.3 Ų99.349%0.48658%0.577SS.*  trans-68.1128.1171.7-156.28056.900110.3K184 L189 V192K184-Q187 PolarHBondContact O-N 2.69Å; K184-Q187 VanDerWaalsContact O-N 3.16Å; Q187-L189 PolarHBondContact O-N 2.7Å; Q187-V192 HydrophobicContact CB-CG2 4.36Å; Q187-V192 HydrophobicContact CG-CG2 4.12Å
188A54.1Low55.3Low48 Ų48100.7 Ų100.740%0.39758%0.584SS.*  trans-63.3133.5-17900000111.4G186 T190 D191 V192G186-A188 PolarHBondContact O-N 2.92Å; A188-T190 PolarHBondContact O-N 3.19Å; A188-T190 VanDerWaalsContact O-N 3.08Å; A188-D191 WeakPolarHBondContact O-CB 3.31Å; A188-D191 PolarHBondContact O-N 2.93Å; A188-V192 PolarHBondContact O-N 2.83Å
189L57.5Low56.7Low108 Ų10898.6 Ų98.657%0.56556%0.559SS**Hα-helixtrans-55.6-32.1-176.5-178.162.7000112.9Q187 D191 V192 M193Q187-L189 PolarHBondContact O-N 2.7Å; L189-D191 VanDerWaalsContact C-N 3.31Å; L189-D191 PolarHBondContact O-N 3.08Å; L189-V192 PolarHBondContact O-N 2.94Å; L189-M193 HydrophobicContact CD1-CE 4.14Å; L189-M193 HydrophobicContact CD2-CE 4.18Å; L189-M193 HydrophobicContact CG-CE 4.05Å; L189-M193 WeakPolarHBondContact O-CG 3.39Å; L189-M193 PolarHBondContact O-N 3.04Å
190T58.2Low58.8Low37 Ų3795 Ų9523%0.22754%0.543CS..Hα-helixtrans-64.8-35.3177.455.10000112.9A188 M193 S194 R641A188-T190 PolarHBondContact O-N 3.19Å; A188-T190 VanDerWaalsContact O-N 3.08Å; T190-M193 PolarHBondContact O-N 3.23Å; T190-S194 WeakPolarHBondContact O-CB 3.24Å; T190-S194 PolarHBondContact O-N 3.46Å; T190-S194 PolarHBondContact O-OG 3.29Å; T190-R641 PolarHBondContact OG1-NH2 3.21Å; T190-R641 VanDerWaalsContact OG1-NH2 3.08Å
191D59.6Low60.9Low74 Ų7494.5 Ų94.540%0.39654%0.538SS..Hα-helixtrans-75-37.4-177.5-54-5.1000109.9A188 L189 S194 A195A188-D191 WeakPolarHBondContact O-CB 3.31Å; A188-D191 PolarHBondContact O-N 2.93Å; L189-D191 VanDerWaalsContact C-N 3.31Å; L189-D191 PolarHBondContact O-N 3.08Å; D191-S194 WeakPolarHBondContact CA-OG 3.33Å; D191-S194 PolarHBondContact O-N 3.04Å; D191-S194 PolarHBondContact O-OG 3.45Å; D191-S194 VanDerWaalsContact O-OG 3.09Å; D191-A195 WeakPolarHBondContact O-CB 3.5Å; D191-A195 PolarHBondContact O-N 2.99Å
192V56.6Low63.3Low47 Ų4787.9 Ų87.929%0.28551%0.514SS..Hα-helixtrans-62.9-44.1172.4-177.40000110.4Q187 A188 L189 S196Q187-V192 HydrophobicContact CB-CG2 4.36Å; Q187-V192 HydrophobicContact CG-CG2 4.12Å; A188-V192 PolarHBondContact O-N 2.83Å; L189-V192 PolarHBondContact O-N 2.94Å; V192-S196 VanDerWaalsContact O-CB 3.3Å; V192-S196 WeakPolarHBondContact O-CB 3.37Å; V192-S196 PolarHBondContact O-N 3.46Å
193M52.7Low65.7Low109 Ų10980.2 Ų80.254%0.53748%0.478SS..Hα-helixtrans-68.1-39.2177.2-73.2-172.5177.800113.2L189 T190 K197L189-M193 HydrophobicContact CD1-CE 4.14Å; L189-M193 HydrophobicContact CD2-CE 4.18Å; L189-M193 HydrophobicContact CG-CE 4.05Å; L189-M193 WeakPolarHBondContact O-CG 3.39Å; L189-M193 PolarHBondContact O-N 3.04Å; T190-M193 PolarHBondContact O-N 3.23Å; M193-K197 WeakPolarHBondContact O-CG 3.34Å; M193-K197 PolarHBondContact O-N 3.39Å
194S50.9Low68.1Low68 Ų6876.8 Ų76.848%0.47646%0.456SS..Hα-helixtrans-71.1-41177.961.80000111.8T190 D191 S196 K197 L198T190-S194 WeakPolarHBondContact O-CB 3.24Å; T190-S194 PolarHBondContact O-N 3.46Å; T190-S194 PolarHBondContact O-OG 3.29Å; D191-S194 WeakPolarHBondContact CA-OG 3.33Å; D191-S194 PolarHBondContact O-N 3.04Å; D191-S194 PolarHBondContact O-OG 3.45Å; D191-S194 VanDerWaalsContact O-OG 3.09Å; S194-S196 PolarHBondContact O-N 3.15Å; S194-K197 PolarHBondContact O-N 2.91Å; S194-L198 WeakPolarHBondContact O-CB 3.25Å; S194-L198 PolarHBondContact O-N 3.44Å
195A61.6Low70.3Confident48 Ų4871.7 Ų71.740%0.39743%0.434SS..Hα-helixtrans-60.2-44.3172.800000111.7D191 L198 D199D191-A195 WeakPolarHBondContact O-CB 3.5Å; D191-A195 PolarHBondContact O-N 2.99Å; A195-L198 PolarHBondContact O-N 3.31Å; A195-D199 WeakPolarHBondContact O-CB 3.49Å; A195-D199 PolarHBondContact O-N 2.98Å
196S75.2Confident72.9Confident69 Ų6965.5 Ų65.548%0.48339%0.391SS..Hα-helixtrans-62.3-42.6175.9177.30000112.7V192 S194 D199 V200V192-S196 VanDerWaalsContact O-CB 3.3Å; V192-S196 WeakPolarHBondContact O-CB 3.37Å; V192-S196 PolarHBondContact O-N 3.46Å; S194-S196 PolarHBondContact O-N 3.15Å; S196-D199 PolarHBondContact O-N 3.5Å; S196-V200 WeakPolarHBondContact O-CG2 3.37Å; S196-V200 PolarHBondContact O-N 2.79Å
197K78.2Confident75Confident165 Ų16561.5 Ų61.572%0.71735%0.35SS*.Hα-helixtrans-62.9-43.1175-76.3177.5179.6-178.20112.4M193 S194 V200 A201M193-K197 WeakPolarHBondContact O-CG 3.34Å; M193-K197 PolarHBondContact O-N 3.39Å; S194-K197 PolarHBondContact O-N 2.91Å; K197-V200 PolarHBondContact O-N 2.97Å; K197-A201 WeakPolarHBondContact O-CB 3.22Å; K197-A201 PolarHBondContact O-N 2.86Å
198L79.5Confident77.1Confident105 Ų10559.6 Ų59.655%0.5534%0.338SS..Hα-helixtrans-65.4-43.2178.4-179.661.1000111.5S194 A195 A201 L202S194-L198 WeakPolarHBondContact O-CB 3.25Å; S194-L198 PolarHBondContact O-N 3.44Å; A195-L198 PolarHBondContact O-N 3.31Å; L198-A201 PolarHBondContact O-N 2.82Å; L198-L202 HydrophobicContact CD1-CD1 4.22Å; L198-L202 HydrophobicContact CD1-CG 4.18Å; L198-L202 HydrophobicContact CG-CD1 4.01Å; L198-L202 HydrophobicContact CG-CG 4.4Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.43Å
199D84.9Confident79.2Confident55 Ų5557.7 Ų57.729%0.29432%0.321SS..Hα-helixtrans-59.3-46.8175.9175.669.6000111.9A195 S196 A201 L202 K203A195-D199 WeakPolarHBondContact O-CB 3.49Å; A195-D199 PolarHBondContact O-N 2.98Å; S196-D199 PolarHBondContact O-N 3.5Å; D199-A201 VanDerWaalsContact C-N 3.32Å; D199-A201 PolarHBondContact O-N 2.83Å; D199-L202 PolarHBondContact O-N 2.97Å; D199-K203 WeakPolarHBondContact O-CB 3.39Å; D199-K203 VanDerWaalsContact O-CG 3.28Å; D199-K203 WeakPolarHBondContact O-CG 3.36Å; D199-K203 PolarHBondContact O-N 3.33Å; D199-K203 VanDerWaalsContact OD1-CE 3.23Å; D199-K203 WeakPolarHBondContact OD1-CE 3.44Å; D199-K203 IonicContact OD1-NZ 2.66Å; D199-K203 WeakPolarHBondContact OD2-CD 3.47Å; D199-K203 WeakPolarHBondContact OD2-CE 3.34Å; D199-K203 IonicContact OD2-NZ 3.26Å; D199-K203 PolarHBondContact OD2-NZ 2.81Å
200V88.8Confident81Confident78 Ų7852.6 Ų52.647%0.47330%0.295SS..Hα-helixtrans-60.7-40.3174.9172.40000111.8S196 K197 T204S196-V200 WeakPolarHBondContact O-CG2 3.37Å; S196-V200 PolarHBondContact O-N 2.79Å; K197-V200 PolarHBondContact O-N 2.97Å; V200-T204 VanDerWaalsContact O-CB 3.3Å; V200-T204 WeakPolarHBondContact O-CB 3.5Å; V200-T204 PolarHBondContact O-N 3.14Å; V200-T204 PolarHBondContact O-OG1 3.28Å
201A90.6Very high82.9Confident56 Ų5650.9 Ų50.946%0.46328%0.284SS..Hα-helixtrans-65.7-44.6177.300000112.3K197 L198 D199 T204 E205K197-A201 WeakPolarHBondContact O-CB 3.22Å; K197-A201 PolarHBondContact O-N 2.86Å; L198-A201 PolarHBondContact O-N 2.82Å; D199-A201 VanDerWaalsContact C-N 3.32Å; D199-A201 PolarHBondContact O-N 2.83Å; A201-T204 WeakPolarHBondContact O-CB 3.46Å; A201-T204 PolarHBondContact O-N 2.87Å; A201-E205 WeakPolarHBondContact O-CB 3.3Å; A201-E205 PolarHBondContact O-N 3.05Å
202L93Very high84.6Confident34 Ų3454.3 Ų54.318%0.17830%0.296CS..Hα-helixtrans-66.8-44.7177.7-67170.9000111.8V110 V113 L198 D199 T204 E205 V206V110-L202 HydrophobicContact CG1-CB 3.86Å; V110-L202 HydrophobicContact CG1-CD1 3.9Å; V113-L202 HydrophobicContact CG1-CD2 4.49Å; V113-L202 VanDerWaalsContact O-CD2 3.29Å; V113-L202 WeakPolarHBondContact O-CD2 3.29Å; L198-L202 HydrophobicContact CD1-CD1 4.22Å; L198-L202 HydrophobicContact CD1-CG 4.18Å; L198-L202 HydrophobicContact CG-CD1 4.01Å; L198-L202 HydrophobicContact CG-CG 4.4Å; L198-L202 WeakPolarHBondContact O-CG 3.46Å; L198-L202 PolarHBondContact O-N 3.43Å; D199-L202 PolarHBondContact O-N 2.97Å; L202-T204 VanDerWaalsContact C-N 3.26Å; L202-T204 PolarHBondContact O-N 3.3Å; L202-E205 PolarHBondContact O-N 2.88Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.05Å
203K94.6Very high86.4Confident22 Ų2252.9 Ų52.910%0.09629%0.289CS..Hα-helixtrans-57.2-39.9172.8-73.3173.1171.1166.50111.3V110 A170 F174 D176 D199 I207V110-K203 HydrophobicContact CG2-CG 3.78Å; A170-K203 HydrophobicContact CB-CB 4.24Å; F174-K203 HydrophobicContact CB-CD 3.86Å; F174-K203 HydrophobicContact CB-CG 4.27Å; F174-K203 HydrophobicContact CD1-CD 4.12Å; F174-K203 HydrophobicContact CD1-CG 3.77Å; F174-K203 HydrophobicContact CD2-CB 3.74Å; F174-K203 HydrophobicContact CD2-CD 4.38Å; F174-K203 HydrophobicContact CD2-CG 3.89Å; F174-K203 HydrophobicContact CE1-CG 4.03Å; F174-K203 HydrophobicContact CE2-CB 3.86Å; F174-K203 HydrophobicContact CE2-CG 4.12Å; F174-K203 WeakPolarHBondContact CE2-O 3.4Å; F174-K203 HydrophobicContact CG-CB 4.09Å; F174-K203 HydrophobicContact CG-CD 3.87Å; F174-K203 HydrophobicContact CG-CG 3.71Å; F174-K203 HydrophobicContact CZ-CB 4.32Å; F174-K203 HydrophobicContact CZ-CG 4.18Å; D176-K203 IonicContact OD1-NZ 3.56Å; D176-K203 PolarHBondContact OD1-NZ 3.29Å; D199-K203 WeakPolarHBondContact O-CB 3.39Å; D199-K203 VanDerWaalsContact O-CG 3.28Å; D199-K203 WeakPolarHBondContact O-CG 3.36Å; D199-K203 PolarHBondContact O-N 3.33Å; D199-K203 VanDerWaalsContact OD1-CE 3.23Å; D199-K203 WeakPolarHBondContact OD1-CE 3.44Å; D199-K203 IonicContact OD1-NZ 2.66Å; D199-K203 WeakPolarHBondContact OD2-CD 3.47Å; D199-K203 WeakPolarHBondContact OD2-CE 3.34Å; D199-K203 IonicContact OD2-NZ 3.26Å; D199-K203 PolarHBondContact OD2-NZ 2.81Å; K203-I207 PolarHBondContact O-N 3.2Å
204T96.3Very high88.4Confident19 Ų1948 Ų4812%0.11727%0.265CS..Hα-helixtrans-65.8-45.1174.9-600000112.1A166 V200 A201 L202 V206 I207 R208A166-T204 HydrophobicContact CB-CG2 4.02Å; V200-T204 VanDerWaalsContact O-CB 3.3Å; V200-T204 WeakPolarHBondContact O-CB 3.5Å; V200-T204 PolarHBondContact O-N 3.14Å; V200-T204 PolarHBondContact O-OG1 3.28Å; A201-T204 WeakPolarHBondContact O-CB 3.46Å; A201-T204 PolarHBondContact O-N 2.87Å; L202-T204 VanDerWaalsContact C-N 3.26Å; L202-T204 PolarHBondContact O-N 3.3Å; T204-V206 VanDerWaalsContact C-N 3.35Å; T204-V206 PolarHBondContact O-N 3.29Å; T204-I207 PolarHBondContact O-N 2.95Å; T204-R208 WeakPolarHBondContact O-CB 3.38Å; T204-R208 PolarHBondContact O-N 2.96Å
205E95.6Very high90.4Very high46 Ų4652.3 Ų52.322%0.21527%0.271CS..Hα-helixtrans-63.8-37.2179.1-179.765.1-175.200112.3V113 A201 L202 I207 R208 L209V113-E205 HydrophobicContact CG1-CB 3.56Å; V113-E205 HydrophobicContact CG1-CG 3.17Å; A201-E205 WeakPolarHBondContact O-CB 3.3Å; A201-E205 PolarHBondContact O-N 3.05Å; L202-E205 PolarHBondContact O-N 2.88Å; E205-I207 PolarHBondContact O-N 3.42Å; E205-R208 VanDerWaalsContact CD-NH2 3.31Å; E205-R208 PolarHBondContact O-N 3.2Å; E205-R208 IonicContact OE1-CZ 3.79Å; E205-R208 IonicContact OE1-NE 2.92Å; E205-R208 IonicContact OE1-NH2 2.72Å; E205-R208 PolarHBondContact OE1-NH2 3.33Å; E205-R208 IonicContact OE2-CZ 2.72Å; E205-R208 IonicContact OE2-NE 2.73Å; E205-R208 PolarHBondContact OE2-NE 3.22Å; E205-R208 IonicContact OE2-NH2 3.33Å; E205-R208 PolarHBondContact OE2-NH2 3.48Å; E205-R208 VanDerWaalsContact OE2-NH2 3.16Å; E205-L209 HydrophobicContact CG-CD1 4.08Å; E205-L209 HydrophobicContact CG-CG 4.35Å; E205-L209 WeakPolarHBondContact O-CB 3.49Å; E205-L209 WeakPolarHBondContact O-CG 3.38Å; E205-L209 PolarHBondContact O-N 3.39Å
206V96.5Very high91.8Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-55-53.2171.4171.20000111L101 F109 V113 L126 F174 L202 T204 R208 L209 L210L101-V206 HydrophobicContact CD1-CG1 4.42Å; F109-V206 HydrophobicContact CB-CG1 4.21Å; F109-V206 HydrophobicContact CB-CG2 4.37Å; F109-V206 HydrophobicContact CD1-CG1 4.14Å; F109-V206 VanDerWaalsContact O-CG2 3.27Å; F109-V206 WeakPolarHBondContact O-CG2 3.48Å; V113-V206 HydrophobicContact CB-CG2 4.12Å; V113-V206 HydrophobicContact CG1-CG2 4.35Å; V113-V206 HydrophobicContact CG2-CG2 3.7Å; L126-V206 HydrophobicContact CD2-CG1 4.02Å; L126-V206 HydrophobicContact CD2-CG2 4.24Å; F174-V206 HydrophobicContact CE2-CB 4.2Å; F174-V206 HydrophobicContact CE2-CG1 4.22Å; F174-V206 HydrophobicContact CZ-CB 3.95Å; F174-V206 HydrophobicContact CZ-CG1 3.85Å; F174-V206 HydrophobicContact CZ-CG2 4.14Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.05Å; T204-V206 VanDerWaalsContact C-N 3.35Å; T204-V206 PolarHBondContact O-N 3.29Å; V206-R208 VanDerWaalsContact C-N 3.33Å; V206-R208 PolarHBondContact O-N 3.36Å; V206-L209 PolarHBondContact O-N 2.81Å; V206-L210 HydrophobicContact CG1-CD1 3.82Å; V206-L210 HydrophobicContact CG1-CG 4.46Å; V206-L210 WeakPolarHBondContact O-CB 3.41Å; V206-L210 WeakPolarHBondContact O-CG 3.47Å; V206-L210 PolarHBondContact O-N 3.01Å
207I97.8Very high92.5Very high0 Ų049.4 Ų49.40%025%0.248CC..Hα-helixtrans-64.3-40.3-178.6-59.2-49.6000110.9L101 M145 A166 F169 A170 I173 F174 K203 T204 E205 L210 T211L101-I207 HydrophobicContact CD1-CD1 4.26Å; M145-I207 HydrophobicContact CE-CD1 4.23Å; M145-I207 HydrophobicContact CE-CG2 4.11Å; M145-I207 HydrophobicContact SD-CG2 4.37Å; A166-I207 HydrophobicContact CB-CB 4.08Å; A166-I207 HydrophobicContact CB-CG2 3.99Å; F169-I207 HydrophobicContact CB-CG2 4.2Å; A170-I207 HydrophobicContact CB-CG1 4.32Å; I173-I207 HydrophobicContact CB-CD1 4.23Å; I173-I207 HydrophobicContact CD1-CD1 3.71Å; I173-I207 HydrophobicContact CD1-CG1 4.4Å; I173-I207 HydrophobicContact CG2-CD1 4Å; F174-I207 HydrophobicContact CD2-CD1 4.45Å; F174-I207 HydrophobicContact CE2-CD1 3.9Å; F174-I207 HydrophobicContact CE2-CG1 4.09Å; K203-I207 PolarHBondContact O-N 3.2Å; T204-I207 PolarHBondContact O-N 2.95Å; E205-I207 PolarHBondContact O-N 3.42Å; I207-L210 PolarHBondContact O-N 3.46Å; I207-T211 WeakPolarHBondContact O-CB 3.4Å; I207-T211 PolarHBondContact O-N 3.13Å; I207-T211 PolarHBondContact O-OG1 2.79Å
208R97.8Very high92.4Very high63 Ų6342.5 Ų42.524%0.23822%0.223CC..Hα-helixtrans-61-45.7177.9-165.2-1666795.5-2.1111.8I162 A166 T204 E205 V206 K212I162-R208 HydrophobicContact CG2-CG 3.86Å; A166-R208 HydrophobicContact CB-CB 3.81Å; A166-R208 HydrophobicContact CB-CG 4.44Å; T204-R208 WeakPolarHBondContact O-CB 3.38Å; T204-R208 PolarHBondContact O-N 2.96Å; E205-R208 VanDerWaalsContact CD-NH2 3.31Å; E205-R208 PolarHBondContact O-N 3.2Å; E205-R208 IonicContact OE1-CZ 3.79Å; E205-R208 IonicContact OE1-NE 2.92Å; E205-R208 IonicContact OE1-NH2 2.72Å; E205-R208 PolarHBondContact OE1-NH2 3.33Å; E205-R208 IonicContact OE2-CZ 2.72Å; E205-R208 IonicContact OE2-NE 2.73Å; E205-R208 PolarHBondContact OE2-NE 3.22Å; E205-R208 IonicContact OE2-NH2 3.33Å; E205-R208 PolarHBondContact OE2-NH2 3.48Å; E205-R208 VanDerWaalsContact OE2-NH2 3.16Å; V206-R208 VanDerWaalsContact C-N 3.33Å; V206-R208 PolarHBondContact O-N 3.36Å; R208-K212 WeakPolarHBondContact O-CB 3.48Å; R208-K212 PolarHBondContact O-N 3.43Å
209L96.4Very high92.2Very high8 Ų840 Ų404%0.04221%0.213CC..Hα-helixtrans-68.3-42.4178.8-70.6177.6000112V113 K122 V123 L126 E205 V206 K212 A213V113-L209 HydrophobicContact CG1-CD1 4.44Å; V113-L209 HydrophobicContact CG2-CD1 4.5Å; K122-L209 HydrophobicContact CB-CD1 3.78Å; K122-L209 HydrophobicContact CD-CD1 4.11Å; V123-L209 HydrophobicContact CG2-CB 4.39Å; V123-L209 HydrophobicContact CG2-CD2 3.97Å; L126-L209 HydrophobicContact CD1-CB 3.67Å; L126-L209 HydrophobicContact CD1-CD1 3.78Å; L126-L209 HydrophobicContact CD1-CG 4.39Å; E205-L209 HydrophobicContact CG-CD1 4.08Å; E205-L209 HydrophobicContact CG-CG 4.35Å; E205-L209 WeakPolarHBondContact O-CB 3.49Å; E205-L209 WeakPolarHBondContact O-CG 3.38Å; E205-L209 PolarHBondContact O-N 3.39Å; V206-L209 PolarHBondContact O-N 2.81Å; L209-K212 PolarHBondContact O-N 3.01Å; L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 2.98Å
210L97.1Very high90.9Very high2 Ų239.8 Ų39.81%0.0121%0.211CC..Hα-helixtrans-64.6-40.3175.2-71.9174.8000112.4F109 L126 M145 V206 I207 K212 A213 C214 I217F109-L210 HydrophobicContact CE1-CD1 4.42Å; L126-L210 HydrophobicContact CB-CD2 4.08Å; M145-L210 HydrophobicContact CG-CB 4.18Å; M145-L210 HydrophobicContact SD-CB 3.84Å; V206-L210 HydrophobicContact CG1-CD1 3.82Å; V206-L210 HydrophobicContact CG1-CG 4.46Å; V206-L210 WeakPolarHBondContact O-CB 3.41Å; V206-L210 WeakPolarHBondContact O-CG 3.47Å; V206-L210 PolarHBondContact O-N 3.01Å; I207-L210 PolarHBondContact O-N 3.46Å; L210-K212 VanDerWaalsContact C-N 3.33Å; L210-K212 PolarHBondContact O-N 3.15Å; L210-A213 CarbonylContact O-C 3.54Å; L210-A213 PolarHBondContact O-N 3.12Å; L210-C214 VanDerWaalsContact O-CA 3.27Å; L210-C214 WeakPolarHBondContact O-CA 3.33Å; L210-C214 PolarHBondContact O-N 3.28Å; L210-I217 HydrophobicContact CB-CD1 4.3Å; L210-I217 HydrophobicContact CD2-CD1 4.22Å; L210-I217 HydrophobicContact CD2-CG1 4.48Å
211T97.4Very high89.2Confident1 Ų138.7 Ų38.71%0.00621%0.207CC..Hα-helixtrans-66.5-35.6175.2-590000111.3M145 L148 N149 I162 I207 C214M145-T211 PolarHBondContact SD-OG1 2.97Å; L148-T211 HydrophobicContact CB-CG2 4.08Å; N149-T211 HydrophobicContact CB-CG2 4.11Å; N149-T211 PolarHBondContact ND2-O 3.2Å; I162-T211 HydrophobicContact CG1-CG2 4.48Å; I162-T211 HydrophobicContact CG2-CG2 3.81Å; I207-T211 WeakPolarHBondContact O-CB 3.4Å; I207-T211 PolarHBondContact O-N 3.13Å; I207-T211 PolarHBondContact O-OG1 2.79Å; T211-C214 WeakPolarHBondContact O-CB 3.27Å; T211-C214 PolarHBondContact O-SG 2.91Å
212K96.2Very high87.4Confident146 Ų14641.3 Ų41.364%0.63522%0.217SC*.Hα-helixtrans-71.1-37.9174.9-171.1176.5180-179.10112.5R208 L209 L210 C214R208-K212 WeakPolarHBondContact O-CB 3.48Å; R208-K212 PolarHBondContact O-N 3.43Å; L209-K212 PolarHBondContact O-N 3.01Å; L210-K212 VanDerWaalsContact C-N 3.33Å; L210-K212 PolarHBondContact O-N 3.15Å; K212-C214 VanDerWaalsContact C-N 3.35Å
213A94Very high85.2Confident17 Ų1743.8 Ų43.814%0.1424%0.237CC..THydrogen-bonded Turntrans-9419.8178.900000113.6V123 L127 L209 L210 R215 S216V123-A213 HydrophobicContact CG1-CB 3.8Å; L127-A213 HydrophobicContact CD2-CB 4.44Å; L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 2.98Å; L210-A213 CarbonylContact O-C 3.54Å; L210-A213 PolarHBondContact O-N 3.12Å; A213-R215 VanDerWaalsContact C-N 3.25Å; A213-R215 PolarHBondContact O-N 3.32Å; A213-R215 VanDerWaalsContact O-N 3.09Å; A213-S216 PolarHBondContact O-N 3.46Å
214C94.8Very high82.9Confident5 Ų545.1 Ų45.13%0.03424%0.244CC..G310 helixtrans-58.2-30.2-166.659.60000115M145 R146 L210 T211 K212 S216 I217M145-C214 HydrophobicContact CB-CB 3.77Å; R146-C214 HydrophobicContact CG-CB 3.77Å; L210-C214 VanDerWaalsContact O-CA 3.27Å; L210-C214 WeakPolarHBondContact O-CA 3.33Å; L210-C214 PolarHBondContact O-N 3.28Å; T211-C214 WeakPolarHBondContact O-CB 3.27Å; T211-C214 PolarHBondContact O-SG 2.91Å; K212-C214 VanDerWaalsContact C-N 3.35Å; C214-S216 PolarHBondContact O-N 3.45Å; C214-I217 PolarHBondContact O-N 3.12Å
215R92.1Very high80.5Confident159 Ų15950.6 Ų50.660%0.626%0.262SS*.G310 helixtrans-70.4-15.7176.9-59.5-170.3-173.1-178.60.7113.9A213A213-R215 VanDerWaalsContact C-N 3.25Å; A213-R215 PolarHBondContact O-N 3.32Å; A213-R215 VanDerWaalsContact O-N 3.09Å
216S90.4Very high78.2Confident56 Ų5653.1 Ų53.139%0.39228%0.281SS..G310 helixtrans-98.2-7.8-179.9-55.40000113.5A213 C214 G218 V219A213-S216 PolarHBondContact O-N 3.46Å; C214-S216 PolarHBondContact O-N 3.45Å; S216-G218 PolarHBondContact O-N 3.46Å; S216-V219 PolarHBondContact O-N 3.48Å; S216-V219 VanDerWaalsContact O-N 3.17Å
217I90.7Very high75.4Confident0 Ų059.5 Ų59.50%031%0.312CS..THydrogen-bonded Turntrans-67.8118.7-177.5-59.5177.2000109.5L127 C130 L141 A142 M145 L210 C214 V219L127-I217 HydrophobicContact CD2-CG1 3.85Å; C130-I217 HydrophobicContact CB-CG2 4.1Å; L141-I217 HydrophobicContact CD2-CG2 4.45Å; A142-I217 HydrophobicContact CB-CB 4.05Å; A142-I217 HydrophobicContact CB-CG2 3.82Å; M145-I217 HydrophobicContact CB-CD1 3.69Å; M145-I217 HydrophobicContact CG-CD1 3.66Å; L210-I217 HydrophobicContact CB-CD1 4.3Å; L210-I217 HydrophobicContact CD2-CD1 4.22Å; L210-I217 HydrophobicContact CD2-CG1 4.48Å; C214-I217 PolarHBondContact O-N 3.12Å; I217-V219 VanDerWaalsContact C-N 3.27Å; I217-V219 PolarHBondContact O-N 3.32Å
218G76.2Confident72.8Confident20 Ų2063.6 Ų63.621%0.20634%0.337CS..THydrogen-bonded Turntrans82.2-5.5-178.300000114.9H131 S216H131-G218 PolarHBondContact CE1-O 3.33Å; S216-G218 PolarHBondContact O-N 3.46Å
219V74.7Confident70.1Confident54 Ų5465.6 Ų65.633%0.32736%0.36SS..  trans-89.4106.8176.1-178.50000109.5F23 S216 I217 S221F23-V219 HydrophobicContact CD2-CG2 4.13Å; F23-V219 HydrophobicContact CE2-CG2 3.6Å; F23-V219 HydrophobicContact CZ-CG2 4.1Å; S216-V219 PolarHBondContact O-N 3.48Å; S216-V219 VanDerWaalsContact O-N 3.17Å; I217-V219 VanDerWaalsContact C-N 3.27Å; I217-V219 PolarHBondContact O-N 3.32Å; V219-S221 PolarHBondContact O-N 3.4Å
220L57.5Low67.5Low50 Ų5069.1 Ų69.126%0.26239%0.391SS..  trans-61.6135.4171.1-69.3176000110.7H131 E224 R225 V228H131-L220 WeakPolarHBondContact CE1-CD2 3.48Å; L220-E224 HydrophobicContact CB-CB 4.03Å; L220-E224 HydrophobicContact CD2-CB 3.92Å; L220-E224 HydrophobicContact CG-CB 4.4Å; L220-R225 HydrophobicContact CB-CG 4.23Å; L220-R225 PolarHBondContact O-NE 2.83Å; L220-R225 VanDerWaalsContact O-NE 3.1Å; L220-R225 PolarHBondContact O-NH2 3.08Å; L220-V228 HydrophobicContact CD1-CG2 3.95Å
221S54.2Low64.4Low54 Ų5471.8 Ų71.838%0.37842%0.419SS..  trans-60.8161.6171.968.20000111V219 S223 E224 R225V219-S221 PolarHBondContact O-N 3.4Å; S221-S223 PolarHBondContact O-N 2.69Å; S221-E224 VanDerWaalsContact CB-OE2 3.23Å; S221-E224 WeakPolarHBondContact CB-OE2 3.38Å; S221-E224 PolarHBondContact N-OE2 3.18Å; S221-E224 PolarHBondContact O-N 2.96Å; S221-E224 VanDerWaalsContact O-N 3.08Å; S221-E224 WeakPolarHBondContact OG-CG 3.44Å; S221-E224 PolarHBondContact OG-N 3.27Å; S221-E224 PolarHBondContact OG-OE2 3.18Å; S221-R225 PolarHBondContact O-N 3.16Å
222T52.1Low61.2Low112 Ų11276.3 Ų76.369%0.68746%0.456SS*.Hα-helixtrans-55-38.2179.4-43.80000112R225 V226T222-R225 PolarHBondContact O-N 3.4Å; T222-V226 WeakPolarHBondContact O-CG2 3.19Å; T222-V226 PolarHBondContact O-N 3.19Å
223S46.7Very low58.1Low85 Ų8576.6 Ų76.659%0.59446%0.463SS*.Hα-helixtrans-65.5-42.3177.2-167.30000112.7S221 V226 M227S221-S223 PolarHBondContact O-N 2.69Å; S223-V226 PolarHBondContact O-N 3.29Å; S223-M227 PolarHBondContact O-N 2.72Å
224E46.3Very low54.9Low51 Ų5179.3 Ų79.324%0.23849%0.493CS..Hα-helixtrans-72.8-35.3179.3-68.6155.3150.400111.3L220 S221 M227 V228L220-E224 HydrophobicContact CB-CB 4.03Å; L220-E224 HydrophobicContact CD2-CB 3.92Å; L220-E224 HydrophobicContact CG-CB 4.4Å; S221-E224 VanDerWaalsContact CB-OE2 3.23Å; S221-E224 WeakPolarHBondContact CB-OE2 3.38Å; S221-E224 PolarHBondContact N-OE2 3.18Å; S221-E224 PolarHBondContact O-N 2.96Å; S221-E224 VanDerWaalsContact O-N 3.08Å; S221-E224 WeakPolarHBondContact OG-CG 3.44Å; S221-E224 PolarHBondContact OG-N 3.27Å; S221-E224 PolarHBondContact OG-OE2 3.18Å; E224-M227 WeakPolarHBondContact O-CB 3.28Å; E224-M227 PolarHBondContact O-N 3.06Å; E224-V228 WeakPolarHBondContact O-CG2 3.49Å; E224-V228 PolarHBondContact O-N 3.13Å
225R46.3Very low51.6Low133 Ų13387.5 Ų87.550%0.50253%0.531SS..Hα-helixtrans-60.1-45.8171.6-107.6179.1-81-169.4-5.6111.9L220 S221 T222 M227 V228 S229L220-R225 HydrophobicContact CB-CG 4.23Å; L220-R225 PolarHBondContact O-NE 2.83Å; L220-R225 VanDerWaalsContact O-NE 3.1Å; L220-R225 PolarHBondContact O-NH2 3.08Å; S221-R225 PolarHBondContact O-N 3.16Å; T222-R225 PolarHBondContact O-N 3.4Å; R225-M227 VanDerWaalsContact C-N 3.3Å; R225-M227 PolarHBondContact O-N 3.09Å; R225-V228 PolarHBondContact O-N 2.68Å; R225-S229 WeakPolarHBondContact O-CB 3.36Å; R225-S229 PolarHBondContact O-N 3.4Å; R225-S229 PolarHBondContact O-OG 3.15Å
226V46.4Very low48.5Very low99 Ų9986.1 Ų86.160%0.654%0.542SS*.Hα-helixtrans-59.9-39.4175.5170.20000111.6T222 S223 A230T222-V226 WeakPolarHBondContact O-CG2 3.19Å; T222-V226 PolarHBondContact O-N 3.19Å; S223-V226 PolarHBondContact O-N 3.29Å; V226-A230 WeakPolarHBondContact O-CB 3.37Å; V226-A230 PolarHBondContact O-N 3.17Å; V226-A230 VanDerWaalsContact O-N 3.08Å
227M37.8Very low45.3Very low134 Ų13494.7 Ų94.766%0.6657%0.567SS**Hα-helixtrans-63.8-42.9174.6-76.9176.553.400113.2S223 E224 R225 A230S223-M227 PolarHBondContact O-N 2.72Å; E224-M227 WeakPolarHBondContact O-CB 3.28Å; E224-M227 PolarHBondContact O-N 3.06Å; R225-M227 VanDerWaalsContact C-N 3.3Å; R225-M227 PolarHBondContact O-N 3.09Å; M227-A230 PolarHBondContact O-N 3.38Å
228V43.2Very low42Very low86 Ų86100.8 Ų100.852%0.52161%0.609SS.*Hα-helixtrans-68.5-40.8178.1175.10000111.1L220 E224 R225 A230 G231L220-V228 HydrophobicContact CD1-CG2 3.95Å; E224-V228 WeakPolarHBondContact O-CG2 3.49Å; E224-V228 PolarHBondContact O-N 3.13Å; R225-V228 PolarHBondContact O-N 2.68Å; V228-A230 PolarHBondContact O-N 3.41Å; V228-G231 PolarHBondContact O-N 2.92Å
229S41.4Very low39.6Very low105 Ų105103.5 Ų103.573%0.73464%0.636SS**Hα-helixtrans-66.9-17.8175.3-63.70000113.9R225 G231R225-S229 WeakPolarHBondContact O-CB 3.36Å; R225-S229 PolarHBondContact O-N 3.4Å; R225-S229 PolarHBondContact O-OG 3.15Å; S229-G231 PolarHBondContact O-N 3.31Å
230A42.9Very low37.2Very low82 Ų82106.1 Ų106.168%0.67866%0.657SS**THydrogen-bonded Turntrans-77.812.4177.600000114.5V226 M227 V228V226-A230 WeakPolarHBondContact O-CB 3.37Å; V226-A230 PolarHBondContact O-N 3.17Å; V226-A230 VanDerWaalsContact O-N 3.08Å; M227-A230 PolarHBondContact O-N 3.38Å; V228-A230 PolarHBondContact O-N 3.41Å
231G30.7Very low35.7Very low59 Ų59112.4 Ų112.461%0.60869%0.685SS**THydrogen-bonded Turntrans8220.516000000116.7V228 S229 I233V228-G231 PolarHBondContact O-N 2.92Å; S229-G231 PolarHBondContact O-N 3.31Å; G231-I233 PolarHBondContact O-N 2.76Å
232A30.9Very low34.3Very low95 Ų95115.9 Ų115.979%0.78571%0.709SS**  trans-77.747.5177.700000113.8
233I30.4Very low32.9Very low153 Ų153115.3 Ų115.379%0.78571%0.709SS**  trans-134.787.3174.4-52.1178.9000108G231G231-I233 PolarHBondContact O-N 2.76Å
234G27Very low31.8Very low73 Ų73120.6 Ų120.675%0.75372%0.721SS**  trans-159.68.9-172.800000116.5
235Q25.9Very low30.7Very low178 Ų178127.1 Ų127.183%0.83275%0.749SS**SBendtrans-135.2120.2169-72.3-169.4-58.900109.3Y237Q235-Y237 PolarHBondContact O-N 3.03Å
236P26.4Very low29.8Very low129 Ų129125.8 Ų125.884%0.83876%0.755SS**  trans-65.4128.1175.7-17.730.8000110.2C238P236-C238 PolarHBondContact O-N 3.48Å
237Y24.3Very low28.7Very low237 Ų237125.7 Ų125.793%0.92976%0.757SS**  trans-69.397.3170.4-110-100000109Q235Q235-Y237 PolarHBondContact O-N 3.03Å
238C21.2Very low28Very low128 Ų128127 Ų12787%0.86577%0.766SS**  trans-74.1131.6166.2-144.60000108.4P236P236-C238 PolarHBondContact O-N 3.48Å
239G25Very low27.2Very low76 Ų76128.2 Ų128.278%0.78478%0.776SS**  trans-84.2123-165.500000114.3
240S24.5Very low26.4Very low110 Ų110128.9 Ų128.977%0.76978%0.775SS**  trans-156.6136.9144.451.90000110.6
241E25.5Very low25.6Very low182 Ų182134.9 Ų134.985%0.8578%0.78SS**  trans55.8119.4167.4-55.3-165.1163.200120.2C243E241-C243 PolarHBondContact O-N 3.13Å
242S25.6Very low25.4Very low126 Ų126138 Ų13888%0.88179%0.789SS**  trans-73.373.1-178.548.20000113.9F244S242-F244 PolarHBondContact O-N 3.27Å
243C23Very low25.2Very low101 Ų101141.7 Ų141.768%0.68280%0.795SS**  trans-78.945.3179-112.60000115.5E241 K245E241-C243 PolarHBondContact O-N 3.13Å; C243-K245 PolarHBondContact O-N 3.42Å
244F24.1Very low25.1Very low195 Ų195137.6 Ų137.686%0.85579%0.79SS**  trans-82.984.7156.5-97.9-82.3000108.9S242 V246S242-F244 PolarHBondContact O-N 3.27Å; F244-V246 VanDerWaalsContact C-N 3.31Å; F244-V246 PolarHBondContact O-N 3.36Å
245K22.3Very low25Very low189 Ų189143.4 Ų143.482%0.82280%0.795SS**  trans-70.886.4173.3-78.4-177.5176.9173.60110.5C243C243-K245 PolarHBondContact O-N 3.42Å
246V26.9Very low25.1Very low104 Ų104141.1 Ų141.163%0.6380%0.795SS**PPolyproline II helixtrans-62.3129.1175.3-179.40000110.1F244 L248F244-V246 VanDerWaalsContact C-N 3.31Å; F244-V246 PolarHBondContact O-N 3.36Å; V246-L248 PolarHBondContact O-N 3.49Å
247P23.3Very low25.3Very low97 Ų97142.8 Ų142.863%0.6380%0.797SS**PPolyproline II helixtrans-60.6125.7175.7-24.234.3000112
248L23.3Very low25.5Very low162 Ų162142.9 Ų142.985%0.84880%0.796SS**PPolyproline II helixtrans-67.9151178.5-73.7171.5000111.9V246V246-L248 PolarHBondContact O-N 3.49Å
249P25.5Very low25.8Very low112 Ų112141.8 Ų141.873%0.72780%0.796SS**PPolyproline II helixtrans-74.5134-164.8-1429.6000112.8R251P249-R251 PolarHBondContact O-N 2.92Å
250V25.4Very low26Very low118 Ų118149.7 Ų149.772%0.71580%0.802SS**  trans-69.998.8162.1-175.40000107.6
251R26.4Very low26.1Very low209 Ų209154.2 Ų154.279%0.78981%0.808SS**  trans-65.6137.6168.7-71.3-172.7-178.9170.55.1108.8P249P249-R251 PolarHBondContact O-N 2.92Å
252P27.2Very low26.1Very low124 Ų124149.6 Ų149.681%0.80580%0.801SS**  trans-55140.6171.1-23.333.4000110.5G254P252-G254 PolarHBondContact O-N 3.39Å
253L27Very low26.2Very low173 Ų173151 Ų15191%0.90680%0.799SS**  trans-62.8108179-86.285.7000110.2
254G26.4Very low26.4Very low66 Ų66153.6 Ų153.668%0.6881%0.805SS**  trans-64.7147.2161.500000110.3P252P252-G254 PolarHBondContact O-N 3.39Å
255K26.4Very low26.4Very low196 Ų196152.2 Ų152.285%0.85280%0.801SS**  trans-53.4146-177.8-65.7178.6178.7-179.70111.5N257K255-N257 PolarHBondContact O-N 3.49Å; K255-N257 VanDerWaalsContact O-N 3.12Å
256P27.6Very low26.7Very low130 Ų130151.7 Ų151.784%0.84480%0.801SS**  trans-65.7114-171.626.1-34.5000111.4
257N30.4Very low26.5Very low163 Ų163154.7 Ų154.787%0.87281%0.808SS**PPolyproline II helixtrans-72132.8172.8-88.1-25.3000110.3K255K255-N257 PolarHBondContact O-N 3.49Å; K255-N257 VanDerWaalsContact O-N 3.12Å
258R28.9Very low26.8Very low239 Ų239157.9 Ų157.990%0.90282%0.818SS**PPolyproline II helixtrans-55.3145.9177.5-76176.6168.7168.4-5.2111.5R260R258-R260 PolarHBondContact O-N 3.35Å
259A28.1Very low26.9Very low105 Ų105155.7 Ų155.787%0.86881%0.811SS**PPolyproline II helixtrans-50.7129.8-17700000112.7
260R28.4Very low26.7Very low242 Ų242157.9 Ų157.991%0.91381%0.814SS**PPolyproline II helixtrans-103.9131.1158.6-75.5-172.2174-171.7-2.9108R258R258-R260 PolarHBondContact O-N 3.35Å
261K26.4Very low26.7Very low205 Ų205160.4 Ų160.489%0.89182%0.823SS**PPolyproline II helixtrans-51.6146.6171-89.7178.1166.3-177.10110.1
262A25Very low26.5Very low86 Ų86159 Ų15971%0.71183%0.825SS**PPolyproline II helixtrans-61.7144160.400000109
263D28.2Very low26.4Very low156 Ų156156 Ų15683%0.83482%0.816SS**  trans-155.1128.8130.4-98.9-38000112.4
264L27.2Very low26.6Very low155 Ų155154.3 Ų154.381%0.81282%0.815SS**  trans34.4129.8151.3-132.964.9000123
265H23.2Very low26.7Very low165 Ų165158.6 Ų158.676%0.76482%0.821SS**  trans-59.4140.9160.1-76.112.4000112.3
266H29.1Very low26.6Very low178 Ų178152.5 Ų152.582%0.82481%0.814SS**  trans-131130.8143.4-11244.6000110.4I268H266-I268 PolarHBondContact O-N 3.01Å
267H23.9Very low26.4Very low167 Ų167157.3 Ų157.377%0.77382%0.817SS**  trans-62.8127.7170.1-84.75.7000109.5
268I28Very low26.1Very low164 Ų164158.5 Ų158.584%0.84182%0.817SS**  trans-121.9105.9154.2-62.5-177.4000106.6H266H266-I268 PolarHBondContact O-N 3.01Å
269T26Very low25.8Very low117 Ų117157 Ų15772%0.71882%0.817SS**  trans-65138-178.8-56.90000110.5L271T269-L271 PolarHBondContact O-N 3.34Å; T269-L271 VanDerWaalsContact O-N 3.15Å
270M21.5Very low25.8Very low157 Ų157158.6 Ų158.677%0.77382%0.816SS**  trans-66.3108.8179.1-69.2-109-68.900111.4
271L25.5Very low25.5Very low172 Ų172150.5 Ų150.590%0.90181%0.808SS**  trans-92.7111.5160.1-76.5172.9000109.2T269T269-L271 PolarHBondContact O-N 3.34Å; T269-L271 VanDerWaalsContact O-N 3.15Å
272Q21.8Very low25.3Very low179 Ų179146.2 Ų146.284%0.83680%0.803SS**  trans-81.2123174-66.5174.8-31.100109.3
273G26Very low25.3Very low60 Ų60147.4 Ų147.462%0.61981%0.806SS**  trans-162.8122.217400000110.1I275G273-I275 PolarHBondContact O-N 2.8Å
274P31.6Very low25.2Very low138 Ų138147.2 Ų147.290%0.89680%0.803SS**  trans-84.5112-173.331.9-32.1000111
275I27.5Very low25.1Very low157 Ų157148 Ų14881%0.80580%0.8SS**  trans-102.5124.7169.5-58.9-179.6000108.4G273G273-I275 PolarHBondContact O-N 2.8Å
276G24.4Very low25.1Very low67 Ų67146.7 Ų146.769%0.69180%0.804SS**  trans-69.2143.1-171.500000113.7E278G276-E278 PolarHBondContact O-N 3.3Å
277Y23.3Very low25Very low231 Ų231144.8 Ų144.891%0.90680%0.8SS**  trans-80.492.2169.7-80.6-98.5000110.3
278E24.5Very low25Very low188 Ų188141.6 Ų141.688%0.87980%0.802SS**  trans-74.2131.8162.2-92.5-168.3148.600111G276 T280G276-E278 PolarHBondContact O-N 3.3Å; E278-T280 PolarHBondContact O-N 3.03Å
279K23.1Very low25Very low208 Ų208141.9 Ų141.990%0.90480%0.804SS**  trans-82.394.5-175.6-69.3173.4178.8170.30110.5G281K279-G281 PolarHBondContact O-N 3.45Å
280T27Very low25Very low138 Ų138141.5 Ų141.585%0.84781%0.806SS**  trans-72.692.9167.144.80000110.5E278 C282E278-T280 PolarHBondContact O-N 3.03Å; T280-C282 PolarHBondContact O-N 3.43Å; T280-C282 VanDerWaalsContact O-N 3.1Å
281G22.8Very low25.2Very low72 Ų72139.8 Ų139.874%0.74281%0.809SS**  trans-68.7101.3173.100000111.2K279 S283K279-G281 PolarHBondContact O-N 3.45Å; G281-S283 PolarHBondContact O-N 2.97Å
282C22.4Very low25.3Very low116 Ų116134.7 Ų134.778%0.78480%0.799SS**  trans-79.688.2175.9-164.80000110.7T280 I284T280-C282 PolarHBondContact O-N 3.43Å; T280-C282 VanDerWaalsContact O-N 3.1Å; C282-I284 PolarHBondContact O-N 3.09Å
283S24.1Very low25.9Very low110 Ų110132.3 Ų132.377%0.76980%0.799SS**  trans-73.3102.6166.7-69.60000109.6G281 K285G281-S283 PolarHBondContact O-N 2.97Å; S283-K285 PolarHBondContact O-N 3.01Å; S283-K285 VanDerWaalsContact O-N 3.09Å
284I26.2Very low25.8Very low153 Ų153139.9 Ų139.979%0.78581%0.81SS**  trans-67.6107.2174.1-60.4174000108.3C282C282-I284 PolarHBondContact O-N 3.09Å
285K24.7Very low25.7Very low171 Ų171138.4 Ų138.474%0.74381%0.809SS**  trans-69.1133.9170.6-77.1-176.8173.9-178.10109.9S283 D287S283-K285 PolarHBondContact O-N 3.01Å; S283-K285 VanDerWaalsContact O-N 3.09Å; K285-D287 PolarHBondContact O-N 2.71Å
286T23.4Very low25.5Very low138 Ų138139.6 Ų139.685%0.84781%0.812SS**  trans-87.987.9171.948.80000109.4
287D26.8Very low25.7Very low137 Ų137141 Ų14173%0.73382%0.816SS**  trans-90.7126.8172.3-68.5-38.2000110.2K285 I289K285-D287 PolarHBondContact O-N 2.71Å; D287-I289 PolarHBondContact O-N 2.95Å
288A24.5Very low26Very low101 Ų101135.6 Ų135.684%0.83581%0.81SS**  trans-81.3114.6-172.500000111.2S290A288-S290 PolarHBondContact O-N 3.03Å
289I28.4Very low26.7Very low170 Ų170132.6 Ų132.687%0.87281%0.807SS**  trans-83.9110.1167.4-63.1175.4000107.6D287D287-I289 PolarHBondContact O-N 2.95Å
290S26.2Very low27Very low109 Ų109130.2 Ų130.276%0.76280%0.804SS**  trans-74.2149.7-179.971.40000111.9A288 G292A288-S290 PolarHBondContact O-N 3.03Å; S290-G292 PolarHBondContact O-N 3.36Å
291S24.4Very low26.9Very low120 Ų120128.8 Ų128.884%0.83980%0.8SS**  trans-73.1112.8179.550.10000112.2
292G27.9Very low27Very low66 Ų66132.6 Ų132.668%0.6880%0.801SS**PPolyproline II helixtrans-84.9145.4161.200000111.4S290S290-G292 PolarHBondContact O-N 3.36Å
293P34.9Very low27.2Very low129 Ų129134.1 Ų134.184%0.83880%0.797SS**PPolyproline II helixtrans-84.2157.5-163.532.7-36.4000115.1A295P293-A295 PolarHBondContact O-N 3.42Å
294Y24.2Very low27.2Very low218 Ų218133.5 Ų133.586%0.85579%0.792SS**PPolyproline II helixtrans-63.1124.6175.7-79.7-113.2000112.1
295A28.6Very low27.2Very low107 Ų107134.8 Ų134.888%0.88480%0.795SS**  trans-90.7105.3158.500000109P293P293-A295 PolarHBondContact O-N 3.42Å
296Q24.1Very low27.1Very low183 Ų183133.3 Ų133.386%0.85580%0.8SS**PPolyproline II helixtrans-87.6121.5168.5-71.8176.9-4700109
297A27.3Very low27.1Very low95 Ų95131.6 Ų131.679%0.78579%0.794SS**PPolyproline II helixtrans-103.9135.3164.500000108.9
298P30.1Very low27Very low118 Ų118129.4 Ų129.477%0.76680%0.795SS**PPolyproline II helixtrans-78.8167.4-176.1-10.228.1000113.2
299P40.7Very low26.9Very low125 Ų125133.9 Ų133.981%0.81280%0.798SS**PPolyproline II helixtrans-96116.8-176.834.9-28.4000112.3
300D28.8Very low26.7Very low159 Ų159134.9 Ų134.985%0.8580%0.799SS**PPolyproline II helixtrans-97.8117.9166.5-77.8-39.4000111.3
301S23.9Very low26.7Very low108 Ų108135.5 Ų135.576%0.75580%0.801SS**PPolyproline II helixtrans-65.7137.6166.951.50000111.7
302I26.4Very low26.7Very low151 Ų151134.6 Ų134.677%0.77480%0.8SS**  trans-153.2120.9150.1-97.6135.5000110.6
303H26.4Very low26.6Very low149 Ų149139 Ų13969%0.6981%0.807SS**  trans30.8113.4148.5-63.4-75.9000122.4H305H303-H305 PolarHBondContact O-N 2.87Å
304S22.9Very low26.2Very low97 Ų97138.4 Ų138.468%0.67880%0.804SS**  21.698.7119.959.20000117.9
305H27.8Very low26.3Very low180 Ų180138 Ų13883%0.83381%0.81SS**  trans-112.4113.9154.6-87.5-79.9000110.5H303H303-H305 PolarHBondContact O-N 2.87Å
306T22.1Very low26.3Very low139 Ų139135.6 Ų135.685%0.85380%0.795SS**  trans-98.3108176.9-45.20000109
307S23.1Very low26.5Very low103 Ų103134 Ų13472%0.7279%0.792SS**  trans-161.9130.917028.60000114.3
308A24.6Very low26.5Very low91 Ų91140.5 Ų140.575%0.75280%0.797SS**  trans43.799.7161.200000117.9
309Q22.6Very low26.5Very low194 Ų194142.2 Ų142.291%0.90780%0.799SS**  4193.979.9-67.6-174.5-25.300114.8
310Q23.4Very low25.9Very low192 Ų192143.8 Ų143.890%0.89780%0.795SS**  trans-119128.5144.1-90.2-175.4-4500108.4A312Q310-A312 PolarHBondContact O-N 2.91Å
311P26.3Very low25.8Very low122 Ų122143 Ų14379%0.79279%0.79SS**  trans-79.7115.5-177.730.8-32.5000110.6
312A25.7Very low25.9Very low100 Ų100144 Ų14483%0.82679%0.786SS**PPolyproline II helixtrans-74.9130.3169.600000110Q310Q310-A312 PolarHBondContact O-N 2.91Å
313L25.1Very low26Very low159 Ų159141.7 Ų141.783%0.83278%0.775SS**PPolyproline II helixtrans-67.3158.6-174.4-77.9118.6000113.5
314P26.9Very low26.1Very low117 Ų117142 Ų14276%0.7678%0.777SS**PPolyproline II helixtrans-72135.8-174.9-12.328.3000112.5G316P314-G316 PolarHBondContact O-N 2.85Å
315E26.6Very low26.3Very low209 Ų209144.4 Ų144.498%0.97778%0.781SS**  trans-76.157173.8-65.1-170.811600112.5
316G27Very low26.2Very low56 Ų56141 Ų14158%0.57778%0.776SS**  trans-90.4-27-173.200000116.6P314P314-G316 PolarHBondContact O-N 2.85Å
317D29.4Very low26.6Very low150 Ų150142 Ų14280%0.80277%0.769SS**SBendtrans-114.236-157.6-70-38.7000115.8
318R27.3Very low26.6Very low232 Ų232141.8 Ų141.888%0.87577%0.773SS**SBendtrans-113.85.4178.4-117.7180-178.6175.62.8117.2
319L28.8Very low26.6Very low154 Ų154141 Ų14181%0.80677%0.773SS**SBendtrans-118.8-6.7178.5-79.3170.3000116.1
320Q28.7Very low26.7Very low158 Ų158139 Ų13974%0.73877%0.769SS**SBendtrans-90.2-17.6175.2-79.3-173.6-11.700115I322Q320-I322 PolarHBondContact O-N 3.01Å; Q320-I322 VanDerWaalsContact O-N 3.13Å
321L26.6Very low26.7Very low141 Ų141137.8 Ų137.874%0.73877%0.769SS**THydrogen-bonded Turntrans-73.2-3.5-178.4-141.293.9000115.1
322I25.5Very low26.7Very low130 Ų130138 Ų13867%0.66777%0.773SS**THydrogen-bonded Turntrans-101.8-26.8-178.4-63.1179.4000112.2Q320Q320-I322 PolarHBondContact O-N 3.01Å; Q320-I322 VanDerWaalsContact O-N 3.13Å
323D29.7Very low26.4Very low102 Ų102138.1 Ų138.155%0.54577%0.768SS.*THydrogen-bonded Turntrans-84.7-30.1-178.8-153.363000113.3C326 K327D323-C326 PolarHBondContact O-N 3.38Å; D323-K327 IonicContact OD2-NZ 2.83Å; D323-K327 PolarHBondContact OD2-NZ 3.33Å
324E28.8Very low26.3Very low156 Ų156138.3 Ų138.373%0.72977%0.769SS**G310 helixtrans-70.2-33.4177.2-72.6-123.5127.800113.2C326 K327E324-C326 PolarHBondContact O-N 3.32Å; E324-K327 PolarHBondContact O-N 3.03Å; E324-K327 VanDerWaalsContact O-N 3.11Å
325L25.6Very low26.2Very low147 Ų147141 Ų14177%0.7778%0.776SS**G310 helixtrans-67.5-5.4178-80.1172.2000114.1
326C27.4Very low26.3Very low109 Ų109136.3 Ų136.374%0.73676%0.764SS**G310 helixtrans-104.11.8174-71.90000114.5D323 E324D323-C326 PolarHBondContact O-N 3.38Å; E324-C326 PolarHBondContact O-N 3.32Å
327K28.9Very low26Very low160 Ų160145.2 Ų145.270%0.69678%0.78SS**THydrogen-bonded Turntrans-125.7-10.2-177.2-70.3174.3-173.31440116D323 E324 G329D323-K327 IonicContact OD2-NZ 2.83Å; D323-K327 PolarHBondContact OD2-NZ 3.33Å; E324-K327 PolarHBondContact O-N 3.03Å; E324-K327 VanDerWaalsContact O-N 3.11Å; K327-G329 PolarHBondContact O-N 2.95Å
328A24.3Very low25.7Very low99 Ų99144.4 Ų144.482%0.81878%0.783SS**  trans-97.759.3175.200000112.4
329G25Very low25.5Very low73 Ų73138.2 Ų138.275%0.75378%0.775SS**  trans-125.84.8-172.100000116.4K327K327-G329 PolarHBondContact O-N 2.95Å
330D23.9Very low25.2Very low153 Ų153136.7 Ų136.782%0.81877%0.773SS**  trans-119.6147.4174.2-84.6-48.2000110
331N22.9Very low25Very low167 Ų167136.1 Ų136.189%0.89377%0.773SS**  trans86.278.5-175.7-52.3-44.3000117.5
332S26Very low24.8Very low126 Ų126135.3 Ų135.388%0.88177%0.774SS**  trans-140.3103.9135.453.70000111.1
333S20.4Very low24.8Very low103 Ų103135 Ų13572%0.7278%0.783SS**  trans-74.1167.3168.651.50000111
334L23Very low24.6Very low162 Ų162139.6 Ų139.685%0.84880%0.799SS**  trans73.9108.8168.5-49.8171000116.7
335L24.1Very low24.5Very low174 Ų174140 Ų14091%0.91180%0.804SS**  -163.1155115-94.7171.3000108.5
336P29.2Very low24.4Very low111 Ų111138.2 Ų138.272%0.72180%0.804SS**PPolyproline II helixtrans-90.4163.2-149.634.3-37.9000116.4
337R19.8Very low24.3Very low243 Ų243137.9 Ų137.992%0.91781%0.809SS**PPolyproline II helixtrans-66.5125.3177.7-61.4168.9177.2159.5-1.8111.8
338P23.5Very low24Very low132 Ų132137.1 Ų137.186%0.85781%0.81SS**PPolyproline II helixtrans-76.6126.71539.56.3000108.5
339S22.8Very low23.9Very low102 Ų102142.3 Ų142.371%0.71381%0.814SS**PPolyproline II helixtrans-86.5146.7-176.652.40000112.8
340T23.3Very low23.9Very low123 Ų123148.4 Ų148.476%0.75581%0.814SS**  trans81.2136.9153.7-15.50000119.2
341I23.8Very low23.9Very low145 Ų145150.1 Ų150.174%0.74481%0.814SS**  trans6785.7163.2-35.6-176.8000118.1
342T24Very low24Very low124 Ų124148.4 Ų148.476%0.76181%0.812SS**  -170.561.4126.619.50000112.3K344T342-K344 PolarHBondContact O-N 2.99Å
343S24.5Very low24.1Very low124 Ų124147.6 Ų147.687%0.86780%0.802SS**THydrogen-bonded Turntrans-71.165.7171.643.10000112.6
344K26.3Very low24.3Very low199 Ų199145.9 Ų145.987%0.86579%0.79SS**THydrogen-bonded Turntrans-155.21.8173-116.4160.9-170.8176.60119.1T342T342-K344 PolarHBondContact O-N 2.99Å
345I25.2Very low24.6Very low163 Ų163146.1 Ų146.184%0.83678%0.784SS**SBendtrans-124.644.5-177.2-38.8-177000113.5
346S23.9Very low24.9Very low111 Ų111145.1 Ų145.178%0.77678%0.775SS**  trans-112.9-11.9170.7-159.90000114M348S346-M348 VanDerWaalsContact C-N 3.28Å; S346-M348 PolarHBondContact O-N 2.87Å; S346-M348 VanDerWaalsContact O-N 3.14Å
347A25.6Very low24.9Very low102 Ų102144.2 Ų144.284%0.84376%0.764SS**THydrogen-bonded Turntrans-8632.8-176.700000114.6
348M22.4Very low25.4Very low144 Ų144137.1 Ų137.171%0.70975%0.747SS**THydrogen-bonded Turntrans-150.835.5178.7-116.1-178.7-153.600116.5S346 R350S346-M348 VanDerWaalsContact C-N 3.28Å; S346-M348 PolarHBondContact O-N 2.87Å; S346-M348 VanDerWaalsContact O-N 3.14Å; M348-R350 PolarHBondContact O-N 3.29Å
349K23.2Very low25.7Very low207 Ų207135.6 Ų135.690%0.973%0.731SS**  trans-69.772.3161.7-78.8-171.9176.8178.80111.1K351K349-K351 PolarHBondContact O-N 3.37Å; K349-K351 VanDerWaalsContact O-N 3.15Å
350R23.9Very low26.1Very low202 Ų202136.2 Ų136.276%0.76273%0.726SS**  trans-63.9109.2168.3-73.9-178.6172.8176.1-1.7108.5M348M348-R350 PolarHBondContact O-N 3.29Å
351K23.8Very low26.4Very low189 Ų189135.7 Ų135.782%0.82272%0.718SS**PPolyproline II helixtrans-55.8140165.8-77.7-178.1174.1179.30108.8K349 V353K349-K351 PolarHBondContact O-N 3.37Å; K349-K351 VanDerWaalsContact O-N 3.15Å; K351-V353 PolarHBondContact O-N 3.49Å; K351-V353 VanDerWaalsContact O-N 3.15Å
352P26.4Very low26.7Very low131 Ų131134.6 Ų134.685%0.85171%0.713SS**PPolyproline II helixtrans-67.4116.1-176.327.3-33.8000110
353V26.8Very low27Very low109 Ų109134.5 Ų134.566%0.66171%0.707SS**PPolyproline II helixtrans-72.4132.4174.7178.90000108.5K351 N357K351-V353 PolarHBondContact O-N 3.49Å; K351-V353 VanDerWaalsContact O-N 3.15Å; V353-N357 HydrophobicContact CG1-CB 4.48Å
354S26Very low27.3Very low67 Ų67133.7 Ų133.747%0.46969%0.693SS.*PPolyproline II helixtrans-62.4138.9175.952.10000110.5E356 N357S354-E356 PolarHBondContact O-N 2.99Å; S354-N357 PolarHBondContact O-N 3.31Å
355K27.6Very low27.4Very low167 Ų167127.8 Ų127.873%0.72668%0.676SS**THydrogen-bonded Turntrans-64.9-8.9-171.6-73.1-176.5174.3-179.70114.8N357 V358K355-N357 VanDerWaalsContact C-N 3.33Å; K355-N357 PolarHBondContact O-N 2.91Å; K355-V358 PolarHBondContact O-N 3.44Å
356E30.8Very low27.6Very low153 Ų153125.4 Ų125.472%0.71567%0.669SS**THydrogen-bonded Turntrans-64.9-34.3-179.7-68.3165.3145.100112.5S354 V358 I359S354-E356 PolarHBondContact O-N 2.99Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 2.98Å; E356-I359 PolarHBondContact O-N 3.38Å
357N29.6Very low27.9Very low92 Ų92125.5 Ų125.549%0.49267%0.665SS.*Hα-helixtrans-70-24.1-177.5-71.3-7.2000113.9V353 S354 K355 I359 L360 D361V353-N357 HydrophobicContact CG1-CB 4.48Å; S354-N357 PolarHBondContact O-N 3.31Å; K355-N357 VanDerWaalsContact C-N 3.33Å; K355-N357 PolarHBondContact O-N 2.91Å; N357-I359 VanDerWaalsContact C-N 3.26Å; N357-I359 PolarHBondContact O-N 3.32Å; N357-L360 PolarHBondContact O-N 2.94Å; N357-D361 PolarHBondContact O-N 3.44Å
358V30.1Very low28Very low93 Ų93122.5 Ų122.556%0.56464%0.637SS**Hα-helixtrans-66.2-30.1-178.2-177.40000111.8K355 E356 L362K355-V358 PolarHBondContact O-N 3.44Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 2.98Å; V358-L362 PolarHBondContact O-N 3.23Å
359I30.2Very low28.2Very low100 Ų100121.1 Ų121.151%0.51364%0.638SS.*Hα-helixtrans-75.2-37-179.9-61.3177.8000110.9E356 N357 L363E356-I359 PolarHBondContact O-N 3.38Å; N357-I359 VanDerWaalsContact C-N 3.26Å; N357-I359 PolarHBondContact O-N 3.32Å; I359-L363 PolarHBondContact O-N 3.45Å
360L31.3Very low28.2Very low116 Ų116122.7 Ų122.761%0.60764%0.638SS**Hα-helixtrans-72.4-42.8-179.8-133.483.9000112N357 L362 L363 L364N357-L360 PolarHBondContact O-N 2.94Å; L360-L362 VanDerWaalsContact C-N 3.34Å; L360-L362 PolarHBondContact O-N 3.49Å; L360-L363 PolarHBondContact O-N 3.19Å; L360-L364 PolarHBondContact O-N 2.9Å; L360-L364 VanDerWaalsContact O-N 3.12Å
361D29.8Very low28.3Very low111 Ų111121.3 Ų121.359%0.59464%0.64SS**Hα-helixtrans-65.8-34.3178.9-82.3-19.8000112.4N357 L363 L364 S365N357-D361 PolarHBondContact O-N 3.44Å; D361-L363 VanDerWaalsContact C-N 3.35Å; D361-L363 PolarHBondContact O-N 3.31Å; D361-L364 PolarHBondContact O-N 3.4Å; D361-S365 WeakPolarHBondContact O-CB 3.19Å; D361-S365 PolarHBondContact O-N 3.21Å
362L29.3Very low28.3Very low123 Ų123117.3 Ų117.364%0.64464%0.636SS**Hα-helixtrans-64.8-39.6175.8-130.192000112V358 L360 V366V358-L362 PolarHBondContact O-N 3.23Å; L360-L362 VanDerWaalsContact C-N 3.34Å; L360-L362 PolarHBondContact O-N 3.49Å; L362-V366 PolarHBondContact O-N 3.05Å
363L29.6Very low28.1Very low121 Ų121122.2 Ų122.263%0.63464%0.637SS**Hα-helixtrans-69.3-35.8177.7-72170.4000112.3I359 L360 D361I359-L363 PolarHBondContact O-N 3.45Å; L360-L363 PolarHBondContact O-N 3.19Å; D361-L363 VanDerWaalsContact C-N 3.35Å; D361-L363 PolarHBondContact O-N 3.31Å
364L32.1Very low27.9Very low108 Ų108125.4 Ų125.457%0.56565%0.651SS**Hα-helixtrans-75.8-31.4176.8-74.3167.5000113.1L360 D361 V367 S368L360-L364 PolarHBondContact O-N 2.9Å; L360-L364 VanDerWaalsContact O-N 3.12Å; D361-L364 PolarHBondContact O-N 3.4Å; L364-V367 PolarHBondContact O-N 2.72Å; L364-S368 PolarHBondContact O-N 3.34Å
365S28.1Very low27.8Very low74 Ų74127.9 Ų127.952%0.51766%0.663SS.*Hα-helixtrans-61.7-44.4177-175.30000112.3D361 V367 S368D361-S365 WeakPolarHBondContact O-CB 3.19Å; D361-S365 PolarHBondContact O-N 3.21Å; S365-V367 PolarHBondContact O-N 2.96Å; S365-S368 PolarHBondContact O-N 2.96Å; S365-S368 VanDerWaalsContact O-N 3.13Å
366V29.9Very low27.5Very low114 Ų114125.9 Ų125.969%0.69167%0.667SS**Hα-helixtrans-63.4-28.8-179.9175.60000112.7L362L362-V366 PolarHBondContact O-N 3.05Å
367V30.5Very low27.2Very low113 Ų113124.8 Ų124.869%0.68567%0.67SS**Hα-helixtrans-79.3-24.1178.7179.60000112.1L364 S365L364-V367 PolarHBondContact O-N 2.72Å; S365-V367 PolarHBondContact O-N 2.96Å
368S27.3Very low26.8Very low38 Ų38129.6 Ų129.627%0.26668%0.683SS.*Hα-helixtrans-92.4-6.9-166.7-168.20000116.2L364 S365 R575L364-S368 PolarHBondContact O-N 3.34Å; S365-S368 PolarHBondContact O-N 2.96Å; S365-S368 VanDerWaalsContact O-N 3.13Å; S368-R575 PolarHBondContact OG-NH1 2.9Å; S368-R575 PolarHBondContact OG-NH2 3.31Å
369T25.2Very low26.4Very low116 Ų116133.7 Ų133.771%0.71269%0.693SS**THydrogen-bonded Turntrans-104.312.6-171.151.10000115
370R23.6Very low26.1Very low239 Ų239133.9 Ų133.990%0.90270%0.701SS**  trans-127.936.9174.2-76.3-171.3171.1-175-2.2114.3
371E26.1Very low25.8Very low173 Ų173133.1 Ų133.181%0.80870%0.703SS**  trans-100.875.3165.8-70.3-170.915400111.2
372S23.2Very low25.6Very low105 Ų105133.9 Ų133.973%0.73471%0.706SS**  trans-173.289.4160.3-179.40000111
373R22.4Very low25.5Very low235 Ų235132.8 Ų132.889%0.88770%0.704SS**  trans-174.3112.6150.7-102.4155.2-161.1-154.13.1108.9V375R373-V375 PolarHBondContact O-N 3.5Å
374N23.6Very low25.5Very low176 Ų176136.7 Ų136.794%0.94171%0.71SS**  trans-61.9122.6171.7-77.1-35.8000109.4
375V22.8Very low25.5Very low119 Ų119136.8 Ų136.872%0.72171%0.708SS**  trans-127129.1167.1-177.70000107.4R373R373-V375 PolarHBondContact O-N 3.5Å
376P22.3Very low25.7Very low125 Ų125136.8 Ų136.881%0.81271%0.705SS**  trans-65.9137.8-172.9-21.633.5000113.1Y378P376-Y378 PolarHBondContact O-N 3.31Å; P376-Y378 VanDerWaalsContact O-N 3.14Å
377V23.7Very low25.7Very low129 Ų129136.3 Ų136.378%0.78270%0.698SS**  trans-76.799.8-179.7179.80000110.4K379V377-K379 PolarHBondContact O-N 3.03Å
378Y21Very low26Very low194 Ų194136.3 Ų136.376%0.76169%0.69SS**  trans-73.6113166.8-169.8-98.6000109.6P376 P380P376-Y378 PolarHBondContact O-N 3.31Å; P376-Y378 VanDerWaalsContact O-N 3.14Å; Y378-P380 WeakPolarHBondContact O-CD 3.4Å
379K22.6Very low26.6Very low178 Ų178138.6 Ų138.677%0.77470%0.699SS**PPolyproline II helixtrans-82118.5175.8-74.9-177.9177177.70109.8V377V377-K379 PolarHBondContact O-N 3.03Å
380P22.8Very low27.3Very low104 Ų104139.2 Ų139.268%0.67569%0.692SS**PPolyproline II helixtrans-67.4145.5175.8-1731.3000111.4Y378Y378-P380 WeakPolarHBondContact O-CD 3.4Å
381P25.7Very low28.2Very low101 Ų101131.7 Ų131.766%0.65667%0.666SS**PPolyproline II helixtrans-65.9139.6178.3-19.732.4000112.7V383P381-V383 VanDerWaalsContact C-N 3.28Å; P381-V383 PolarHBondContact O-N 3.48Å
382L26.8Very low29.2Very low127 Ų127130.1 Ų130.167%0.66566%0.662SS**  trans-76.471.8178.4-71.1162000111.5R384 T386L382-R384 PolarHBondContact O-N 2.89Å; L382-R384 VanDerWaalsContact O-N 3.07Å; L382-T386 PolarHBondContact O-OG1 3.18Å
383V27Very low30.5Very low99 Ų99132.5 Ų132.560%0.666%0.662SS**Hα-helixtrans-58.8-23.6-178.1178.20000113.2P381P381-V383 VanDerWaalsContact C-N 3.28Å; P381-V383 PolarHBondContact O-N 3.48Å
384R28.8Very low31.4Very low203 Ų203121.8 Ų121.877%0.76662%0.624SS**Hα-helixtrans-75.2-43.1-174.8-154172.6-171.9165.54.5113.8L382 T386 I387L382-R384 PolarHBondContact O-N 2.89Å; L382-R384 VanDerWaalsContact O-N 3.07Å; R384-T386 VanDerWaalsContact C-N 3.33Å; R384-T386 PolarHBondContact O-N 3.03Å; R384-I387 PolarHBondContact O-N 3.46Å
385E32.4Very low32.4Very low110 Ų110116.9 Ų116.951%0.51462%0.615SS.*Hα-helixtrans-68.8-31.9177.3-75.3178.2140.400112I387 E388 N389E385-I387 VanDerWaalsContact C-N 3.26Å; E385-I387 PolarHBondContact O-N 3.42Å; E385-E388 PolarHBondContact O-N 3.46Å; E385-N389 WeakPolarHBondContact O-CB 3.23Å; E385-N389 VanDerWaalsContact O-CG 3.29Å; E385-N389 PolarHBondContact O-N 3.14Å
386T31.2Very low33.4Very low74 Ų74113.8 Ų113.845%0.45460%0.599SS.*Hα-helixtrans-64.6-29.5-179.9-41.90000113L382 R384 K390L382-T386 PolarHBondContact O-OG1 3.18Å; R384-T386 VanDerWaalsContact C-N 3.33Å; R384-T386 PolarHBondContact O-N 3.03Å; T386-K390 HydrophobicContact CG2-CD 4.44Å; T386-K390 WeakPolarHBondContact O-CB 3.34Å; T386-K390 WeakPolarHBondContact O-CG 3.44Å; T386-K390 PolarHBondContact O-N 3.06Å
387I30.9Very low34.3Very low104 Ų104111.5 Ų111.553%0.53359%0.585SS.*Hα-helixtrans-76.6-45.1176.8-62.6173.9000110.2R384 E385 K390 F391R384-I387 PolarHBondContact O-N 3.46Å; E385-I387 VanDerWaalsContact C-N 3.26Å; E385-I387 PolarHBondContact O-N 3.42Å; I387-K390 PolarHBondContact O-N 3.24Å; I387-F391 WeakPolarHBondContact O-CB 3.23Å; I387-F391 PolarHBondContact O-N 2.92Å
388E35.9Very low35.6Very low113 Ų113107.9 Ų107.953%0.52857%0.569SS.*Hα-helixtrans-63.8-44.5179.7-69.7172.9-174.600111E385 F391 L392E385-E388 PolarHBondContact O-N 3.46Å; E388-F391 PolarHBondContact O-N 3.08Å; E388-L392 WeakPolarHBondContact O-CG 3.19Å; E388-L392 PolarHBondContact O-N 2.92Å
389N41.7Very low37.1Very low86 Ų86102.5 Ų102.546%0.4655%0.554SS.*Hα-helixtrans-64.4-43.9176.9-68.2-11.3000112.4E385 F391 L392 E393E385-N389 WeakPolarHBondContact O-CB 3.23Å; E385-N389 VanDerWaalsContact O-CG 3.29Å; E385-N389 PolarHBondContact O-N 3.14Å; N389-F391 VanDerWaalsContact C-N 3.27Å; N389-F391 PolarHBondContact O-N 3.34Å; N389-L392 WeakPolarHBondContact O-CB 3.45Å; N389-L392 PolarHBondContact O-N 2.9Å; N389-L392 VanDerWaalsContact O-N 3.14Å; N389-E393 WeakPolarHBondContact O-CG 3.41Å; N389-E393 PolarHBondContact O-N 2.87Å
390K40Very low38.2Very low129 Ų12998.9 Ų98.956%0.56154%0.535SS*.Hα-helixtrans-68.8-23.3176.4-74.3-174.2176.9-171.60113.7T386 I387T386-K390 HydrophobicContact CG2-CD 4.44Å; T386-K390 WeakPolarHBondContact O-CB 3.34Å; T386-K390 WeakPolarHBondContact O-CG 3.44Å; T386-K390 PolarHBondContact O-N 3.06Å; I387-K390 PolarHBondContact O-N 3.24Å
391F41.1Very low39.1Very low82 Ų82101.4 Ų101.436%0.3653%0.531SS..Hα-helixtrans-76.9-30.4172.6-154.9-90.6000112.1I387 E388 N389 R400 L404I387-F391 WeakPolarHBondContact O-CB 3.23Å; I387-F391 PolarHBondContact O-N 2.92Å; E388-F391 PolarHBondContact O-N 3.08Å; N389-F391 VanDerWaalsContact C-N 3.27Å; N389-F391 PolarHBondContact O-N 3.34Å; F391-R400 HydrophobicContact CE1-CG 4.44Å; F391-R400 HydrophobicContact CE2-CB 4.17Å; F391-R400 HydrophobicContact CZ-CB 4.1Å; F391-R400 HydrophobicContact CZ-CG 4.32Å; F391-L404 HydrophobicContact CE2-CD1 3.98Å; F391-L404 HydrophobicContact CE2-CG 4.37Å; F391-L404 HydrophobicContact CZ-CD1 4.32Å
392L47.2Very low40.1Very low139 Ų139101.4 Ų101.473%0.72853%0.525SS*.Hα-helixtrans-75-40.4173.9-75.5161.3000112.7E388 N389 A394E388-L392 WeakPolarHBondContact O-CG 3.19Å; E388-L392 PolarHBondContact O-N 2.92Å; N389-L392 WeakPolarHBondContact O-CB 3.45Å; N389-L392 PolarHBondContact O-N 2.9Å; N389-L392 VanDerWaalsContact O-N 3.14Å; L392-A394 PolarHBondContact O-N 2.97Å
393E50Low40.9Very low155 Ų15598 Ų9872%0.72451%0.51SS*.SBendtrans-70.2-15.7177.5-72.4175.1173.700113.8N389 G395N389-E393 WeakPolarHBondContact O-CG 3.41Å; N389-E393 PolarHBondContact O-N 2.87Å; E393-G395 PolarHBondContact O-N 3.32Å
394A42.2Very low41.4Very low10 Ų1098.2 Ų98.28%0.08351%0.507CS..  trans-73.289.5178.100000111.5L392 S396 D399 R400L392-A394 PolarHBondContact O-N 2.97Å; A394-S396 VanDerWaalsContact C-N 3.28Å; A394-S396 PolarHBondContact O-N 2.91Å; A394-D399 HydrophobicContact CB-CB 4.05Å; A394-R400 HydrophobicContact CB-CG 3.56Å; A394-R400 PolarHBondContact O-NE 2.89Å; A394-R400 PolarHBondContact O-NH2 2.98Å
395G44.6Very low41.8Very low74 Ų7497.8 Ų97.876%0.76351%0.506SS*.  trans-62.3-26.4-178.800000115.1E393E393-G395 PolarHBondContact O-N 3.32Å
396S42.9Very low42.3Very low54 Ų54101.6 Ų101.638%0.37852%0.52SS..SBendtrans-107146.2-179.8178.60000113.9A394 A398 D399 R400A394-S396 VanDerWaalsContact C-N 3.28Å; A394-S396 PolarHBondContact O-N 2.91Å; S396-A398 PolarHBondContact O-N 3.34Å; S396-A398 PolarHBondContact OG-N 2.93Å; S396-D399 WeakPolarHBondContact CB-OD2 3.49Å; S396-D399 PolarHBondContact O-N 3.43Å; S396-R400 PolarHBondContact O-N 3.49Å
397S41.7Very low42.6Very low76 Ų76103.1 Ų103.153%0.53153%0.533SS..Hα-helixtrans-60.9-25171.3-179.50000113.2R401S397-R401 PolarHBondContact O-N 2.99Å; S397-R401 PolarHBondContact O-NE 2.91Å; S397-R401 PolarHBondContact OG-NH2 3.35Å
398A51.1Low42.5Very low53 Ų53102.9 Ų102.944%0.43854%0.54SS..Hα-helixtrans-70.9-44174.500000111.3S396 R401 N402S396-A398 PolarHBondContact O-N 3.34Å; S396-A398 PolarHBondContact OG-N 2.93Å; A398-R401 PolarHBondContact O-N 3.37Å; A398-N402 PolarHBondContact O-N 3.43Å
399D52.8Low41.9Very low81 Ų81104.6 Ų104.643%0.43355%0.552SS.*Hα-helixtrans-64.2-45.1-178.7-61.6-35.6000111.6A394 S396 R401 N402 V403A394-D399 HydrophobicContact CB-CB 4.05Å; S396-D399 WeakPolarHBondContact CB-OD2 3.49Å; S396-D399 PolarHBondContact O-N 3.43Å; D399-R401 VanDerWaalsContact C-N 3.25Å; D399-R401 PolarHBondContact O-N 3.37Å; D399-N402 PolarHBondContact O-N 3.29Å; D399-V403 WeakPolarHBondContact O-CG2 3.39Å; D399-V403 PolarHBondContact O-N 2.86Å
400R44.7Very low41.2Very low103 Ų103109.7 Ų109.739%0.38957%0.573SS.*Hα-helixtrans-57.5-38.1175.7-64.4-179.5-160.6177.95.2112.2F391 A394 S396 L404F391-R400 HydrophobicContact CE1-CG 4.44Å; F391-R400 HydrophobicContact CE2-CB 4.17Å; F391-R400 HydrophobicContact CZ-CB 4.1Å; F391-R400 HydrophobicContact CZ-CG 4.32Å; A394-R400 HydrophobicContact CB-CG 3.56Å; A394-R400 PolarHBondContact O-NE 2.89Å; A394-R400 PolarHBondContact O-NH2 2.98Å; S396-R400 PolarHBondContact O-N 3.49Å; R400-L404 PolarHBondContact O-N 3.1Å
401R43.6Very low40.3Very low157 Ų157115 Ų11559%0.59259%0.589SS**Hα-helixtrans-69.8-34.4174.8-94.4177.9-77.7171.6-10113S397 A398 D399 R405S397-R401 PolarHBondContact O-N 2.99Å; S397-R401 PolarHBondContact O-NE 2.91Å; S397-R401 PolarHBondContact OG-NH2 3.35Å; A398-R401 PolarHBondContact O-N 3.37Å; D399-R401 VanDerWaalsContact C-N 3.25Å; D399-R401 PolarHBondContact O-N 3.37Å; R401-R405 PolarHBondContact O-N 2.98Å
402N45.5Very low39.5Very low100 Ų100116.4 Ų116.454%0.53561%0.61SS.*Hα-helixtrans-71.4-38175.3-100-10.9000112.7A398 D399 R405 K406A398-N402 PolarHBondContact O-N 3.43Å; D399-N402 PolarHBondContact O-N 3.29Å; N402-R405 PolarHBondContact O-N 3.31Å; N402-K406 PolarHBondContact O-N 3.43Å
403V43.8Very low38.3Very low55 Ų55117 Ų11733%0.33361%0.614SS.*Hα-helixtrans-58.6-48.1171.8173.70000110.3D399D399-V403 WeakPolarHBondContact O-CG2 3.39Å; D399-V403 PolarHBondContact O-N 2.86Å
404L36.8Very low37.1Very low105 Ų105115.1 Ų115.155%0.5562%0.618SS.*Hα-helixtrans-61.6-44.1176.5-89.7153.8000113.3F391 R400 K406 C407F391-L404 HydrophobicContact CE2-CD1 3.98Å; F391-L404 HydrophobicContact CE2-CG 4.37Å; F391-L404 HydrophobicContact CZ-CD1 4.32Å; R400-L404 PolarHBondContact O-N 3.1Å; L404-K406 VanDerWaalsContact C-N 3.35Å; L404-K406 PolarHBondContact O-N 2.95Å; L404-C407 PolarHBondContact O-N 3.16Å; L404-C407 VanDerWaalsContact O-N 3.16Å
405R36.9Very low36.2Very low194 Ų194121.6 Ų121.673%0.73265%0.651SS**Hα-helixtrans-62.7-35.7-178.6-86.3-177.8169.5171.9-4.2113.7R401 N402 C407 S408R401-R405 PolarHBondContact O-N 2.98Å; N402-R405 PolarHBondContact O-N 3.31Å; R405-C407 PolarHBondContact O-N 3.48Å; R405-S408 PolarHBondContact O-N 3.17Å
406K44.5Very low35.3Very low189 Ų189123.3 Ų123.382%0.82265%0.649SS**Hα-helixtrans-68.7-16.5177.8-79.9-174173.8-179.50113.7N402 L404N402-K406 PolarHBondContact O-N 3.43Å; L404-K406 VanDerWaalsContact C-N 3.35Å; L404-K406 PolarHBondContact O-N 2.95Å
407C36.9Very low34.3Very low106 Ų106129.1 Ų129.172%0.71667%0.674SS**THydrogen-bonded Turntrans-88.9-1.9-179.4-65.60000115L404 R405L404-C407 PolarHBondContact O-N 3.16Å; L404-C407 VanDerWaalsContact O-N 3.16Å; R405-C407 PolarHBondContact O-N 3.48Å
408S28.2Very low33.3Very low99 Ų99132.9 Ų132.969%0.69269%0.688SS**  trans-109.910.1-172.2-58.40000116.1R405R405-S408 PolarHBondContact O-N 3.17Å
409L24.5Very low31.9Very low149 Ų149133.6 Ų133.678%0.7870%0.7SS**  trans-10278.5178-77.9170.2000112.6
410H25.9Very low30.6Very low194 Ų194135.7 Ų135.790%0.89872%0.721SS**  trans-150.672.6156.2-97.9-71000109.9
411R20.8Very low29.6Very low239 Ų239136.9 Ų136.990%0.90274%0.742SS**  trans-95.8104159.4-79.9-172.2177.3-171.9-0.2108
412S24.9Very low28.5Very low112 Ų112136.8 Ų136.878%0.78375%0.746SS**  trans-85.2119168.649.20000109.4
413N22.1Very low27.4Very low153 Ų153140.7 Ų140.782%0.81877%0.766SS**  trans-64144173.6-64.7-22.6000110.6
414S24.8Very low26.3Very low115 Ų115142.5 Ų142.580%0.80479%0.787SS**  trans-137.8106.5168.861.10000109
415D22.6Very low25.6Very low145 Ų145146.1 Ų146.178%0.77581%0.806SS**  trans-73.3155.3-177.3-73.1-58.8000113.1
416P25.4Very low24.9Very low111 Ų111141.8 Ų141.872%0.72181%0.805SS**  trans-89124.5-167.333.4-33.5000113.1N418P416-N418 PolarHBondContact O-N 3.11Å
417I23.6Very low23.8Very low176 Ų176139.3 Ų139.390%0.90381%0.806SS**  trans-83.7112.2170-62.6177.1000109.3
418N20.5Very low23.2Very low154 Ų154137.2 Ų137.282%0.82480%0.803SS**  trans-84.5145.3179.4-106.5-32.1000112.4P416P416-N418 PolarHBondContact O-N 3.11Å
419G21.6Very low22.9Very low68 Ų68138 Ų13870%0.70181%0.808SS**  trans90.2113.5142.100000118.9
420S24Very low22.9Very low125 Ų125135.5 Ų135.587%0.87481%0.809SS**  trans-158.6142.6130.9-83.20000110.1
421P24.7Very low22.8Very low128 Ų128130.9 Ų130.983%0.83180%0.804SS**  trans-95.4164.6-157.936.1-35.4000115.4
422K21.3Very low23Very low156 Ų156128 Ų12868%0.67881%0.806SS**  trans-65.6139.4177.6-64.8156.1169.9172.60112
423L21.6Very low22.9Very low182 Ų182126.5 Ų126.595%0.95381%0.808SS**  trans-117.3123151.2-88.1165.2000108.8
424A21.1Very low23.1Very low93 Ų93125 Ų12577%0.76981%0.809SS**  trans-101.4136.5-178.100000110
425L22.6Very low23Very low180 Ų180131.8 Ų131.894%0.94282%0.817SS**  trans-130.2127.1167.3-83.5169.6000110.4
426S21.2Very low23.1Very low103 Ų103135.8 Ų135.872%0.7282%0.821SS**  trans-81122.5-168.745.50000113.2
427T22.3Very low23Very low137 Ų137138.8 Ų138.884%0.8483%0.83SS**  24.4109.6124.257.70000118.7
428G23.2Very low23Very low63 Ų63142.1 Ų142.165%0.64983%0.832SS**  trans-131.2115.2155.700000109.4M1M1-G428 VanDerWaalsContact CE-O 3.24Å; M1-G428 WeakPolarHBondContact CE-O 3.45Å
429S22.5Very low23.2Very low116 Ų116146.7 Ų146.781%0.81184%0.837SS**  trans-104.8130.7-170.5-178.30000111.9
430A24.6Very low23.3Very low95 Ų95147.2 Ų147.279%0.78584%0.843SS**  trans-145.1119.1164.300000109.1
431A23.4Very low23.3Very low97 Ų97152.4 Ų152.480%0.80284%0.843SS**  trans-104.1128.6-174.300000111.4
432L25Very low23.4Very low180 Ų180152.4 Ų152.494%0.94284%0.843SS**  trans-115.3117.3168.2-83.7163.6000109.4
433G22.4Very low23.6Very low79 Ų79152.4 Ų152.481%0.81485%0.851SS**  trans-89.5133.5-171.500000113.6
434S26.1Very low23.8Very low121 Ų121148.9 Ų148.985%0.84684%0.841SS**  trans-100.2115.4169.6-50.70000110.6
435R23.1Very low24Very low258 Ų258153.1 Ų153.197%0.97485%0.85SS**  trans-66.9133.8-179.3-67.8-176.8178.6-165.8-0.1110.9
436R24.5Very low24Very low229 Ų229154.7 Ų154.786%0.86485%0.849SS**  trans-107.3123-174.9-145.6180-163-165.24.1110.4
437L24.5Very low24.2Very low174 Ų174155 Ų15591%0.91186%0.858SS**  trans-69.3133.8-180-70.4166.2000111.6
438R22.9Very low24.2Very low247 Ų247151.7 Ų151.793%0.93285%0.851SS**  trans-80.3135.3179-66.9-180174.6-175.9-1.7110.5
439R25.3Very low24.3Very low250 Ų250157.6 Ų157.694%0.94387%0.867SS**  trans-109.5137.2162.2-77.6-175172.2178.3-2.3109.2
440G23.5Very low24.3Very low79 Ų79157.8 Ų157.881%0.81487%0.868SS**PPolyproline II helixtrans-73.6160-170.500000115.2
441R22.8Very low24.2Very low233 Ų233156.9 Ų156.988%0.87987%0.868SS**PPolyproline II helixtrans-79.8139.7174.8-75.9177.8170.5170.9-3.9111.3
442P27.7Very low24.3Very low128 Ų128159.1 Ų159.183%0.83187%0.871SS**PPolyproline II helixtrans-84.7126.916131.7-27.2000110
443N25.9Very low24.2Very low157 Ų157160 Ų16084%0.8487%0.868SS**PPolyproline II helixtrans-84.6136.2176.7-74.9-13.7000111
444S25Very low24.3Very low108 Ų108162.4 Ų162.476%0.75587%0.869SS**PPolyproline II helixtrans-96.312917654.10000111.2
445L25.2Very low24.1Very low182 Ų182162.1 Ų162.195%0.95387%0.867SS**  trans-126.6119.8158.6-76.6173.3000109.4
446K23.7Very low24Very low213 Ų213160.9 Ų160.993%0.92686%0.862SS**  trans-111.2115.4173.6-95.3-175.8170.7-176.50108
447A24.4Very low24Very low109 Ų109156.6 Ų156.690%0.90186%0.861SS**  trans-169.8140.4155.600000105.9
448G22.4Very low23.9Very low68 Ų68156.3 Ų156.370%0.70186%0.855SS**  cis162108.9-3.600000107
449L25.4Very low24.1Very low187 Ų187150.5 Ų150.598%0.97985%0.85SS**  trans-135.1128.9178.1-73.2175.6000109.5
450S22.8Very low24Very low119 Ų119146.9 Ų146.983%0.83285%0.848SS**  trans-134.1146.8-170.249.70000110.3
451G22.1Very low23.9Very low76 Ų76146.8 Ų146.878%0.78485%0.847SS**  trans81.8152.1-176.100000112.8
452V24.6Very low23.8Very low145 Ų145139.4 Ų139.488%0.87984%0.843SS**  cis-134.7149.7141720000110.2
453K22.9Very low23.6Very low198 Ų198141.7 Ų141.786%0.86184%0.843SS**PPolyproline II helixtrans-76.6137.8176-76.4177.5174.8175.30111
454P25Very low23.4Very low129 Ų129143.1 Ų143.184%0.83885%0.845SS**PPolyproline II helixtrans-77.4143.5-178.930.9-33.8000112.6
455S22.8Very low23.3Very low115 Ų115147.5 Ų147.580%0.80485%0.85SS**PPolyproline II helixtrans-82.9154179.340.10000113.2
456R21.5Very low23.2Very low232 Ų232144.7 Ų144.788%0.87584%0.841SS**PPolyproline II helixtrans-76.7124-172-173-173.6-158.6170.93.3111.3
457V23.6Very low23.1Very low139 Ų139142.3 Ų142.384%0.84284%0.838SS**  trans-106.2134.8169.2-1790000109.1
458Q22.7Very low23Very low168 Ų168142.2 Ų142.279%0.78583%0.831SS**PPolyproline II helixtrans-86.8157.4-179.9-84.1176.5-24.900112.1
459P27Very low23Very low126 Ų126145.1 Ų145.182%0.81884%0.836SS**PPolyproline II helixtrans-88142.3-168.534.4-33.9000113
460L23.4Very low22.9Very low173 Ų173143.9 Ų143.991%0.90683%0.828SS**PPolyproline II helixtrans-95137.3165.4-77.6158000109.6
461G21.3Very low22.9Very low77 Ų77145.5 Ų145.579%0.79483%0.826SS**PPolyproline II helixtrans-68.1171.816100000110.7
462G20.6Very low22.9Very low78 Ų78145.8 Ų145.880%0.80482%0.821SS**  cis132.565.213.200000109
463E22.2Very low22.8Very low177 Ų177144.7 Ų144.783%0.82782%0.817SS**  trans-114.9139179.5-69.8-168.3143.200111.2
464Q21.9Very low22.8Very low187 Ų187144.7 Ų144.787%0.87482%0.82SS**  trans-86.8126.3-176.8-65.6166.4-26.800109.3
465F23.6Very low22.6Very low200 Ų200144.8 Ų144.888%0.87782%0.818SS**  trans-99.9114.5165.1-86.3-90000109.2
466T22.4Very low22.5Very low123 Ų123145 Ų14576%0.75582%0.819SS**  trans-83.5155.2177.543.80000112.1
467D21.7Very low22.5Very low162 Ų162139.4 Ų139.487%0.86682%0.815SS**  trans-57.2137.2-174.1-61.7-74.8000114.4
468S23.1Very low22.3Very low107 Ų107141.6 Ų141.675%0.74882%0.816SS**  trans-130.1111.7155.754.20000110.3I470S468-I470 PolarHBondContact O-N 3.22Å
469T22.8Very low22.3Very low130 Ų130141 Ų14180%0.79882%0.816SS**  trans-68.8115.3-171.9-46.90000111.8
470I22.6Very low22Very low161 Ų161142.5 Ų142.583%0.82682%0.817SS**PPolyproline II helixtrans-98.8116.2170-61-179.4000109.4S468 A472S468-I470 PolarHBondContact O-N 3.22Å; I470-A472 PolarHBondContact O-N 3.36Å
471I22.5Very low21.9Very low153 Ų153140.3 Ų140.379%0.78581%0.81SS**PPolyproline II helixtrans-77116.2-176.7-62170.4000109.5
472A22.8Very low22.1Very low81 Ų81145 Ų14567%0.66981%0.812SS**PPolyproline II helixtrans-84.8140.2173.400000111.2I470I470-A472 PolarHBondContact O-N 3.36Å
473P22.5Very low22.4Very low123 Ų123150.2 Ų150.280%0.79981%0.812SS**PPolyproline II helixtrans-74.1139.2-173.729.4-34.8000112.6T475P473-T475 PolarHBondContact O-N 3.06Å
474Q22.4Very low22.5Very low197 Ų197147 Ų14792%0.92181%0.809SS**  trans-77.6114.4-176.9-62.7176.2-8.500111.6
475T22.1Very low22.9Very low131 Ų131141.9 Ų141.980%0.80479%0.792SS**  trans-105.4120.4162.141.20000110.3P473 C477P473-T475 PolarHBondContact O-N 3.06Å; T475-C477 PolarHBondContact O-N 3.49Å
476S20.6Very low23.1Very low119 Ų119138.4 Ų138.483%0.83279%0.79SS**  trans-79.683.7-169.545.40000113.2Q478S476-Q478 PolarHBondContact O-N 2.89Å
477C20.1Very low23.4Very low115 Ų115140 Ų14078%0.77779%0.786SS**  trans-77.4116.2166-79.30000111.1T475 I479T475-C477 PolarHBondContact O-N 3.49Å; C477-I479 PolarHBondContact O-N 3.19Å
478Q20.8Very low23.8Very low185 Ų185134.9 Ų134.986%0.86476%0.758SS**  trans-62.5118.2177.9-67.1175.5-8.900110.9S476 L480S476-Q478 PolarHBondContact O-N 2.89Å; Q478-L480 PolarHBondContact O-N 2.59Å
479I21.8Very low23.9Very low156 Ų156136.3 Ų136.380%0.875%0.753SS**  trans-73.4101.3179.6-59.5173.7000108.9C477 T481C477-I479 PolarHBondContact O-N 3.19Å; I479-T481 PolarHBondContact O-N 3.44Å; I479-T481 VanDerWaalsContact O-N 3.09Å
480L21.3Very low24.1Very low157 Ų157133.3 Ų133.382%0.82273%0.731SS**  trans-65.4105.5168.5-73.1169000109.1Q478 E482Q478-L480 PolarHBondContact O-N 2.59Å; L480-E482 PolarHBondContact O-N 3.08Å; L480-E482 VanDerWaalsContact O-N 3.11Å
481T22Very low24.4Very low127 Ų127129.5 Ų129.578%0.77972%0.719SS**  trans-60.5112.7177.444.10000110.7I479 K483I479-T481 PolarHBondContact O-N 3.44Å; I479-T481 VanDerWaalsContact O-N 3.09Å; T481-K483 PolarHBondContact O-N 2.89Å; T481-K483 VanDerWaalsContact O-N 3.12Å
482E24.1Very low24.7Very low175 Ų175126.1 Ų126.182%0.81871%0.706SS**  trans-66.1113.4-177.2-70.2-160.4122.500111.3L480 S484L480-E482 PolarHBondContact O-N 3.08Å; L480-E482 VanDerWaalsContact O-N 3.11Å; E482-S484 PolarHBondContact O-N 2.94Å
483K26.3Very low24.9Very low189 Ų189125.6 Ų125.682%0.82270%0.697SS**PPolyproline II helixtrans-58.4123.8163.9-70.9-177.6176.7179.10108.8T481T481-K483 PolarHBondContact O-N 2.89Å; T481-K483 VanDerWaalsContact O-N 3.12Å
484S26.3Very low25.4Very low109 Ų109127.8 Ų127.876%0.76269%0.694SS**PPolyproline II helixtrans-53.7136.2-177.656.30000111.3E482E482-S484 PolarHBondContact O-N 2.94Å
485P28.7Very low25.7Very low79 Ų79124.3 Ų124.351%0.51369%0.686SS.*PPolyproline II helixtrans-68.6142.5-170.126-34.4000111.6K487 I540P485-K487 PolarHBondContact O-N 3.39Å; P485-I540 HydrophobicContact CB-CD1 4.01Å; P485-I540 HydrophobicContact CG-CD1 4.41Å
486P27.7Very low25.9Very low127 Ų127121.7 Ų121.783%0.82567%0.673SS**PPolyproline II helixtrans-62.6125177.125.9-33.5000110.4
487K28.5Very low26.3Very low158 Ų158122.4 Ų122.469%0.68768%0.675SS**PPolyproline II helixtrans-78.8135.7177.5-63.5178.5-177.3176.50110.1P485P485-K487 PolarHBondContact O-N 3.39Å
488I30.6Very low26.6Very low53 Ų53123 Ų12327%0.27267%0.67SS.*  trans-86.7110.3166.9-58.9173.7000106.9L490 V503 P538I488-L490 HydrophobicContact CG2-CD2 3.91Å; I488-L490 HydrophobicContact CG2-CG 4.32Å; I488-V503 HydrophobicContact CG2-CG1 4.12Å; I488-P538 HydrophobicContact CD1-CG 4.47Å
489H26.6Very low26.8Very low138 Ų138119 Ų11964%0.63966%0.655SS**  trans-83.1132.2171.4-80.3-101.4000109.8
490L27.1Very low26.9Very low66 Ų66120 Ų12035%0.34665%0.653SS.*  trans-120.7111.3176.4-58.9175.5000107.4I488 L501 V503 I536I488-L490 HydrophobicContact CG2-CD2 3.91Å; I488-L490 HydrophobicContact CG2-CG 4.32Å; L490-L501 HydrophobicContact CB-CD2 4.36Å; L490-L501 HydrophobicContact CD2-CD2 4.08Å; L490-V503 HydrophobicContact CD2-CG2 4.37Å; L490-I536 HydrophobicContact CD1-CD1 3.76Å; L490-I536 HydrophobicContact CD1-CG1 4.16Å
491S28.4Very low27Very low82 Ų82116 Ų11657%0.57363%0.633SS**  trans-101.7136174.554.30000110.6
492V28.4Very low27.2Very low82 Ų82113.6 Ų113.650%0.49762%0.615SS.*  trans-112111.8176.9178.70000108.1L499V492-L499 HydrophobicContact CG1-CD1 3.87Å; V492-L499 HydrophobicContact CG1-CG 4.16Å
493S27.3Very low27.4Very low70 Ų70107.5 Ų107.549%0.4959%0.589SS.*  trans-81.3121172.955.90000110.6T495S493-T495 PolarHBondContact O-N 3.25Å; S493-T495 VanDerWaalsContact O-N 3.14Å
494K31.8Very low27.4Very low169 Ų169102.4 Ų102.474%0.73557%0.571SS**THydrogen-bonded Turntrans-77.912.8-173.9-71-179.1176.1172.30114.6D532K494-D532 IonicContact NZ-OD2 3.16Å; K494-D532 PolarHBondContact NZ-OD2 3.42Å
495T29.1Very low27.5Very low123 Ų123103.3 Ų103.376%0.75556%0.561SS**THydrogen-bonded Turntrans-107.812.7-169.348.40000116S493S493-T495 PolarHBondContact O-N 3.25Å; S493-T495 VanDerWaalsContact O-N 3.14Å
496S26.4Very low27.4Very low76 Ų76104.1 Ų104.153%0.53158%0.575SS.*  trans-157.2145.7170.8-71.70000111.7N498S496-N498 PolarHBondContact O-N 3.19Å; S496-N498 VanDerWaalsContact O-N 3.08Å
497P30.1Very low27.5Very low135 Ų135103.2 Ų103.288%0.87758%0.578SS**SBendtrans-68-5.8175.429.1-35.5000113.7
498N25.8Very low27.5Very low126 Ų126100 Ų10067%0.67458%0.576SS**SBendtrans-96.497.1172.6-66.9-48.6000109.7S496 K500S496-N498 PolarHBondContact O-N 3.19Å; S496-N498 VanDerWaalsContact O-N 3.08Å; N498-K500 PolarHBondContact O-N 3.08Å
499L24.2Very low27.3Very low103 Ų103103 Ų10354%0.53959%0.592SS.*  trans-68.894.8-177.1-158.5138.3000110.8V492 L501V492-L499 HydrophobicContact CG1-CD1 3.87Å; V492-L499 HydrophobicContact CG1-CG 4.16Å; L499-L501 HydrophobicContact CD2-CD1 3.91Å; L499-L501 HydrophobicContact CD2-CG 3.88Å; L499-L501 PolarHBondContact O-N 3.48Å
500K24Very low27.4Very low175 Ų175101.3 Ų101.376%0.76160%0.602SS**  trans-85.6102.5178.1-81.5-176.5174.9177.70110.8N498N498-K500 PolarHBondContact O-N 3.08Å
501L23.4Very low27.4Very low75 Ų75109.5 Ų109.539%0.39363%0.628SS.*  trans-79.7120.8170.7-78.9148.3000110.3L490 L499L490-L501 HydrophobicContact CB-CD2 4.36Å; L490-L501 HydrophobicContact CD2-CD2 4.08Å; L499-L501 HydrophobicContact CD2-CD1 3.91Å; L499-L501 HydrophobicContact CD2-CG 3.88Å; L499-L501 PolarHBondContact O-N 3.48Å
502N26.4Very low27.4Very low76 Ų76113.1 Ų113.141%0.40663%0.634SS.*  trans-109.9122.8170.4-153.217000109
503V27.4Very low27.2Very low46 Ų46113.8 Ų113.828%0.27965%0.648SS.*  trans-108.292.4-173.7-1760000109.3I488 L490 F505I488-V503 HydrophobicContact CG2-CG1 4.12Å; L490-V503 HydrophobicContact CD2-CG2 4.37Å; V503-F505 HydrophobicContact CG1-CD2 4.49Å; V503-F505 HydrophobicContact CG1-CE1 4.31Å; V503-F505 HydrophobicContact CG1-CE2 3.81Å; V503-F505 HydrophobicContact CG1-CZ 3.71Å
504D26.8Very low27.2Very low82 Ų82115.9 Ų115.944%0.43966%0.663SS.*  trans-93.3112.5-179.3-84.47.3000111.7A506 R551D504-A506 PolarHBondContact O-N 3.35Å; D504-R551 IonicContact OD1-CZ 3.37Å; D504-R551 IonicContact OD1-NE 3.66Å; D504-R551 IonicContact OD1-NH1 3.01Å; D504-R551 PolarHBondContact OD1-NH1 3.3Å; D504-R551 IonicContact OD2-NH1 2.81Å; D504-R551 PolarHBondContact OD2-NH1 3.14Å
505F28.6Very low26.8Very low128 Ų128114.9 Ų114.956%0.56167%0.665SS**  trans-83.498.2170.3-59-81.7000108.8V503 A507V503-F505 HydrophobicContact CG1-CD2 4.49Å; V503-F505 HydrophobicContact CG1-CE1 4.31Å; V503-F505 HydrophobicContact CG1-CE2 3.81Å; V503-F505 HydrophobicContact CG1-CZ 3.71Å; F505-A507 PolarHBondContact O-N 3.33Å
506A26.9Very low26.6Very low96 Ų96116.4 Ų116.479%0.79367%0.668SS**  trans-60.2107.3-178.500000111.7D504 S508D504-A506 PolarHBondContact O-N 3.35Å; A506-S508 PolarHBondContact O-N 3.24Å; A506-S508 VanDerWaalsContact O-N 3.16Å
507A29.5Very low26.4Very low109 Ų109120.9 Ų120.990%0.90169%0.686SS**  trans-88.151.5179.200000112F505F505-A507 PolarHBondContact O-N 3.33Å
508S28.7Very low26Very low91 Ų91122.3 Ų122.364%0.63668%0.682SS**  trans-162.1113.1173.4172.20000111.1A506A506-S508 PolarHBondContact O-N 3.24Å; A506-S508 VanDerWaalsContact O-N 3.16Å
509D26.6Very low25.9Very low115 Ų115125 Ų12562%0.61569%0.691SS**  trans-161.930.8141.2-107.4-23.1000113.4R511D509-R511 PolarHBondContact O-N 3.37Å; D509-R511 VanDerWaalsContact O-N 3.16Å
510A29.1Very low25.9Very low102 Ų102129 Ų12984%0.84370%0.704SS**THydrogen-bonded Turntrans-68.5-8.5175.400000113.8
511R26.4Very low25.9Very low238 Ų238127.5 Ų127.590%0.89870%0.704SS**THydrogen-bonded Turntrans-104.4-11.6-178.4-71.2-168.8-177.2-176.72.4115.7D509D509-R511 PolarHBondContact O-N 3.37Å; D509-R511 VanDerWaalsContact O-N 3.16Å
512K28Very low25.7Very low158 Ų158134.8 Ų134.869%0.68773%0.727SS**THydrogen-bonded Turntrans-93.9-7.2177.5-83.7-176.2173.9-179.30115S514 L515K512-S514 PolarHBondContact O-N 3.11Å; K512-S514 VanDerWaalsContact O-N 3.08Å; K512-L515 PolarHBondContact O-N 3.3Å
513A24.5Very low25.5Very low97 Ų97137.7 Ų137.780%0.80275%0.751SS**THydrogen-bonded Turntrans-66.8-5.6177.700000115
514S27.5Very low25.1Very low114 Ų114142 Ų14280%0.79777%0.771SS**THydrogen-bonded Turntrans-94.42.9-178.6-1640000114.8K512K512-S514 PolarHBondContact O-N 3.11Å; K512-S514 VanDerWaalsContact O-N 3.08Å
515L24Very low25Very low147 Ų147146 Ų14677%0.7779%0.793SS**SBendtrans-126.15.6-165.5-106.4170.8000116.8K512K512-L515 PolarHBondContact O-N 3.3Å
516L23.4Very low24.6Very low156 Ų156144.4 Ų144.482%0.81780%0.803SS**  trans-132.856.3179.1-69.1173.5000112.6M518L516-M518 VanDerWaalsContact C-N 3.34Å; L516-M518 PolarHBondContact O-N 2.95Å
517N23Very low24.4Very low170 Ų170143.2 Ų143.291%0.90980%0.801SS**  trans-8380.7148.6-84.2-13.1000107.9
518M22.5Very low24.1Very low164 Ų164145.9 Ų145.981%0.80880%0.798SS**  trans-139.1149.8164.6-73-162.577.800110.4L516L516-M518 VanDerWaalsContact C-N 3.34Å; L516-M518 PolarHBondContact O-N 2.95Å
519E23.6Very low23.8Very low184 Ų184148.8 Ų148.886%0.8681%0.806SS**  trans-61166.1-154.2-73.2158.6114.700117.5
520K24.5Very low23.8Very low187 Ų187150.2 Ų150.281%0.81381%0.814SS**  trans-55170.4160.9-67.9169.6174.71730111
521D22.3Very low23.7Very low143 Ų143154.5 Ų154.577%0.76582%0.817SS**  trans73.284.6167-51.4-24.7000116.1
522R20.7Very low23.6Very low228 Ų228149.1 Ų149.186%0.8681%0.805SS**  -170.9118.9111.9-93.8150.5-160-136.15.3111.2I524R522-I524 HydrophobicContact CB-CD1 4.41Å; R522-I524 HydrophobicContact CB-CG1 4.07Å; R522-I524 PolarHBondContact O-N 3.29Å; R522-I524 VanDerWaalsContact O-N 3.08Å
523C21.8Very low23.4Very low137 Ų137146.6 Ų146.693%0.92681%0.808SS**  trans-68.4100.4161.9-63.70000108.7
524I19.5Very low23.4Very low135 Ų135147 Ų14769%0.69280%0.8SS**  trans-103.6112.7170.6-60.5-176.6000108.6R522 A526R522-I524 HydrophobicContact CB-CD1 4.41Å; R522-I524 HydrophobicContact CB-CG1 4.07Å; R522-I524 PolarHBondContact O-N 3.29Å; R522-I524 VanDerWaalsContact O-N 3.08Å; I524-A526 PolarHBondContact O-N 2.81Å; I524-A526 VanDerWaalsContact O-N 3.13Å
525N24Very low23.2Very low167 Ų167145.6 Ų145.689%0.89379%0.789SS**  trans-67.8103.4163.6-65.6-54.2000108.5
526A21.1Very low23.2Very low94 Ų94141.3 Ų141.378%0.77777%0.767SS**  trans-125.3133.515200000104.7I524I524-A526 PolarHBondContact O-N 2.81Å; I524-A526 VanDerWaalsContact O-N 3.13Å
527G20.9Very low23.2Very low72 Ų72144.9 Ų144.974%0.74277%0.769SS**  cis130.7137.735.500000104.1D529G527-D529 PolarHBondContact O-N 2.84Å
528I24Very low23.4Very low164 Ų164139.4 Ų139.484%0.84174%0.743SS**  trans-55.7133.7-177.3-64.7153.2000109.2
529D23.3Very low23.7Very low153 Ų153136.4 Ų136.482%0.81874%0.738SS**  trans-164.5140.6143.7-88.8-31.3000111.1G527G527-D529 PolarHBondContact O-N 2.84Å
530D25.2Very low24Very low144 Ų144131.9 Ų131.977%0.7772%0.719SS**  trans55.694.3173.4-67.4-25.2000120.7D532D530-D532 PolarHBondContact O-N 3.19Å
531E27.1Very low24.2Very low193 Ų193127 Ų12790%0.90271%0.714SS**THydrogen-bonded Turntrans-63.9120.3155.6-67-159.7137.900111.8
532D25.7Very low24.8Very low124 Ų124125.5 Ų125.566%0.66370%0.7SS**THydrogen-bonded Turntrans153.6-7.3152.3-92.6-18.8000111.6K494 D530 V534K494-D532 IonicContact NZ-OD2 3.16Å; K494-D532 PolarHBondContact NZ-OD2 3.42Å; D530-D532 PolarHBondContact O-N 3.19Å; D532-V534 PolarHBondContact O-N 3.47Å
533S23.2Very low25.4Very low106 Ų106119.5 Ų119.574%0.74169%0.685SS**  trans-89.491.5-177.971.30000114.6C535S533-C535 PolarHBondContact O-N 2.92Å; S533-C535 VanDerWaalsContact O-N 3.11Å
534V23.7Very low25.9Very low106 Ų106122 Ų12264%0.64267%0.674SS**  trans-75.597.4174.3-179.20000111.2D532 I536 I567D532-V534 PolarHBondContact O-N 3.47Å; V534-I536 PolarHBondContact O-N 3.02Å; V534-I567 HydrophobicContact CG1-CD1 4.29Å
535C22.7Very low26.8Very low84 Ų84123.3 Ų123.357%0.56868%0.678SS**  trans-78.6106.9178.2-165.60000112.3S533S533-C535 PolarHBondContact O-N 2.92Å; S533-C535 VanDerWaalsContact O-N 3.11Å
536I24.4Very low27.4Very low57 Ų57122.4 Ų122.429%0.29267%0.668SS.*  trans-81.7128.4176.5-51-173.3000110.1L490 V534 P538 I567L490-I536 HydrophobicContact CD1-CD1 3.76Å; L490-I536 HydrophobicContact CD1-CG1 4.16Å; V534-I536 PolarHBondContact O-N 3.02Å; I536-P538 HydrophobicContact CG2-CG 4.2Å; I536-P538 WeakPolarHBondContact O-CD 3.36Å; I536-I567 HydrophobicContact CD1-CD1 4.27Å; I536-I567 HydrophobicContact CG1-CD1 3.88Å; I536-I567 HydrophobicContact CG2-CD1 4.38Å
537R23.2Very low28.2Very low230 Ų230127.3 Ų127.387%0.86867%0.666SS**  trans-114.490.5171.9-70-176.5175.8-178.5-1.1111.1
538P29.1Very low29Very low55 Ų55134.2 Ų134.236%0.35768%0.676SS.*  trans-71.8154.8171.2-10.927.7000111.2I488 I536 I540 I543I488-P538 HydrophobicContact CD1-CG 4.47Å; I536-P538 HydrophobicContact CG2-CG 4.2Å; I536-P538 WeakPolarHBondContact O-CD 3.36Å; P538-I540 PolarHBondContact O-N 2.95Å; P538-I543 HydrophobicContact CB-CD1 3.86Å; P538-I543 HydrophobicContact CG-CD1 4.01Å
539S27.9Very low29.8Very low102 Ų102130.3 Ų130.371%0.71368%0.676SS**  trans-64.5122.1175.849.20000111.4A541S539-A541 PolarHBondContact O-N 2.83Å; S539-A541 VanDerWaalsContact O-N 3.09Å
540I29Very low30.6Very low89 Ų89127.8 Ų127.846%0.45666%0.661SS.*Hα-helixtrans-62.3-23.8-163-71.6167.1000114.3P485 P538 F542 R544P485-I540 HydrophobicContact CB-CD1 4.01Å; P485-I540 HydrophobicContact CG-CD1 4.41Å; P538-I540 PolarHBondContact O-N 2.95Å; I540-F542 PolarHBondContact O-N 3.29Å; I540-R544 HydrophobicContact CG2-CG 4.34Å; I540-R544 PolarHBondContact O-N 3.48Å
541A29.6Very low31.8Very low85 Ų85128.1 Ų128.170%0.70265%0.651SS**Hα-helixtrans-62.4-44.8-17200000114.2S539S539-A541 PolarHBondContact O-N 2.83Å; S539-A541 VanDerWaalsContact O-N 3.09Å
542F35.4Very low32.9Very low110 Ų110123.3 Ų123.348%0.48263%0.627SS.*Hα-helixtrans-76.8-31.9-172-167.6-93.6000113.5I540 L579I540-F542 PolarHBondContact O-N 3.29Å; F542-L579 HydrophobicContact CD1-CD2 3.93Å; F542-L579 HydrophobicContact CE1-CD2 3.63Å
543I33.2Very low34.2Very low103 Ų103123.8 Ų123.853%0.52863%0.625SS.*Hα-helixtrans-78.8-26.9-176.5-58.6177.9000111.3P538 E545P538-I543 HydrophobicContact CB-CD1 3.86Å; P538-I543 HydrophobicContact CG-CD1 4.01Å; I543-E545 VanDerWaalsContact C-N 3.32Å; I543-E545 PolarHBondContact O-N 3.37Å
544R31.3Very low35.9Very low188 Ų188121 Ų12171%0.70961%0.613SS**Hα-helixtrans-61.6-33.3-175.4-105.4-173.5179.5175.44.6114.4I540I540-R544 HydrophobicContact CG2-CG 4.34Å; I540-R544 PolarHBondContact O-N 3.48Å
545E39.3Very low37.8Very low164 Ų164123.2 Ų123.277%0.76663%0.627SS**THydrogen-bonded Turntrans-92.7-19-166.1-161.4165.9-167.700114.3I543I543-E545 VanDerWaalsContact C-N 3.32Å; I543-E545 PolarHBondContact O-N 3.37Å
546H35.5Very low40Very low147 Ų147121.4 Ų121.468%0.68161%0.612SS**SBendtrans-123.897.2-169.5-81.627.9000114.9
547R38.3Very low41.8Very low197 Ų197128.5 Ų128.574%0.74364%0.635SS**  trans76.299152.3-57.1-175.2179.2-168.4-1.5118.4
548K37.1Very low44.1Very low217 Ų217122.7 Ų122.794%0.94362%0.62SS**THydrogen-bonded Turntrans-50.1137.2148.8-67.8177.8175.9177.70110.4
549G42.3Very low45.8Very low82 Ų82127.9 Ų127.985%0.84564%0.644SS**THydrogen-bonded Turntrans98.6-7156.100000118.9R551G549-R551 PolarHBondContact O-N 3.09Å
550M39.5Very low47.9Very low101 Ų101129.3 Ų129.350%0.49865%0.648SS.*  trans-88.892176.1-69.8-165.775.400112.1K552M550-K552 PolarHBondContact O-N 3.34Å
551R51.1Low49.6Very low150 Ų150128.8 Ų128.857%0.56665%0.653SS**  trans-67.4120.5158.9-62.9-164.6-154.6-1639.5108.1D504 G549D504-R551 IonicContact OD1-CZ 3.37Å; D504-R551 IonicContact OD1-NE 3.66Å; D504-R551 IonicContact OD1-NH1 3.01Å; D504-R551 PolarHBondContact OD1-NH1 3.3Å; D504-R551 IonicContact OD2-NH1 2.81Å; D504-R551 PolarHBondContact OD2-NH1 3.14Å; G549-R551 PolarHBondContact O-N 3.09Å
552K48.5Very low50.8Low92 Ų92135.3 Ų135.340%0.467%0.665SS.*  trans-116.4127.3173.4-72.7-165178.9-179.60109.4M550 T576M550-K552 PolarHBondContact O-N 3.34Å; K552-T576 WeakPolarHBondContact CD-O 3.31Å; K552-T576 PolarHBondContact NZ-O 2.84Å
553H53.6Low51.9Low134 Ų134133 Ų13362%0.6267%0.673SS**  trans-107.5140176.9-52.193.6000108.6
554G60Low53.2Low48 Ų48140.9 Ų140.950%0.49570%0.696SS.*  trans-172.9141.8175.400000111.2L556G554-L556 PolarHBondContact O-N 3.04Å
555T63.4Low54.1Low153 Ų153137.7 Ų137.794%0.93969%0.692SS**  trans-80.3112176.4-51.40000108.8
556L68.4Low54.9Low46 Ų46139.1 Ų139.124%0.24170%0.696CS.*  trans-117.2150.1-178.8-69.3170.2000110.4G554 L558 W573 T576G554-L556 PolarHBondContact O-N 3.04Å; L556-L558 PolarHBondContact O-N 3.07Å; L556-W573 HydrophobicContact CB-CD2 4.13Å; L556-W573 HydrophobicContact CB-CH2 4.47Å; L556-W573 HydrophobicContact CB-CZ2 3.95Å; L556-W573 HydrophobicContact CD1-CB 4.14Å; L556-W573 HydrophobicContact CD1-CD2 3.57Å; L556-W573 HydrophobicContact CD1-CE3 3.61Å; L556-W573 HydrophobicContact CD1-CG 3.83Å; L556-W573 HydrophobicContact CD1-CZ3 4.16Å; L556-W573 HydrophobicContact CD2-CG 4.36Å; L556-W573 HydrophobicContact CG-CD2 4.35Å; L556-W573 HydrophobicContact CG-CG 4.47Å; L556-T576 HydrophobicContact CD1-CG2 3.92Å; L556-T576 HydrophobicContact CD2-CG2 4.42Å; L556-T576 HydrophobicContact CG-CG2 4.26Å
557R61.7Low56.1Low206 Ų206136.9 Ų136.978%0.77769%0.688SS**  trans-81119.5176.1-78.2-176.1-76.2-166.4-7.2109.7W573R557-W573 PolarHBondContact O-NE1 3.45Å
558L71.2Confident57.3Low107 Ų107135.1 Ų135.156%0.5669%0.692SS**  trans-104.9126.3169.9-178.766.2000108.9L556 V560 W573L556-L558 PolarHBondContact O-N 3.07Å; L558-V560 HydrophobicContact CD2-CG2 4.14Å; L558-V560 HydrophobicContact CG-CG2 4.13Å; L558-W573 HydrophobicContact CB-CZ2 4.28Å; L558-W573 HydrophobicContact CD1-CH2 4.43Å; L558-W573 HydrophobicContact CD1-CZ2 4.21Å
559L66.3Low58.6Low165 Ų165128.8 Ų128.886%0.86467%0.668SS**  trans-109.1110.1176-71.6166000108.6
560V72.1Confident59.7Low132 Ų132126.1 Ų126.180%0.864%0.641SS**  trans-95.7124.6177.2-175.40000108.7L558L558-V560 HydrophobicContact CD2-CG2 4.14Å; L558-V560 HydrophobicContact CG-CG2 4.13Å
561S62.7Low61Low78 Ų78128.2 Ų128.255%0.54565%0.653SS.*  trans-121.7144.2178.151.50000110.1G563 L565S561-G563 PolarHBondContact O-N 3.27Å; S561-L565 WeakPolarHBondContact OG-CD1 3.42Å
562K54.8Low61.8Low221 Ų221124.7 Ų124.796%0.96165%0.646SS**SBendtrans-68.5127.9177.4-75-174.4173.7-176.90110.2
563G59.5Low62.9Low63 Ų63122.9 Ų122.965%0.64964%0.636SS**SBendtrans132.9161.9172.600000113.9S561 L565S561-G563 PolarHBondContact O-N 3.27Å; G563-L565 VanDerWaalsContact C-N 3.28Å; G563-L565 PolarHBondContact O-N 3.5Å
564R60.2Low63.7Low268 Ų268118.7 Ų118.7100%1.01162%0.616SS**SBendtrans-76.677.4173.2-72.5-175176.8178.8-0.2110.5
565L51.4Low63.8Low120 Ų120124.8 Ų124.863%0.62862%0.624SS**PPolyproline II helixtrans-102.5149.9178.8-65.8171.6000111.4S561 G563S561-L565 WeakPolarHBondContact OG-CD1 3.42Å; G563-L565 VanDerWaalsContact C-N 3.28Å; G563-L565 PolarHBondContact O-N 3.5Å
566K55.7Low63.9Low194 Ų194119.5 Ų119.584%0.84359%0.592SS**PPolyproline II helixtrans-68.8131.9170.6-67.6-177.3-179.9178.60108.8L568K566-L568 PolarHBondContact O-N 2.96Å
567I60.9Low63.8Low101 Ų101121.5 Ų121.552%0.51860%0.603SS.*PPolyproline II helixtrans-65.8125.8178.1-58.4174.5000108.8V534 I536V534-I567 HydrophobicContact CG1-CD1 4.29Å; I536-I567 HydrophobicContact CD1-CD1 4.27Å; I536-I567 HydrophobicContact CG1-CD1 3.88Å; I536-I567 HydrophobicContact CG2-CD1 4.38Å
568L63.1Low63.7Low159 Ų159114 Ų11483%0.83259%0.589SS**  trans-114128.7177-63.2176.7000109.5K566K566-L568 PolarHBondContact O-N 2.96Å
569I63.3Low63.3Low84 Ų84111.4 Ų111.443%0.43158%0.576SS.*  trans-92.3124.1176.9-60.5177.5000108.3W573 F574I569-W573 HydrophobicContact CG2-CB 3.53Å; I569-W573 HydrophobicContact CG2-CD2 4.32Å; I569-W573 HydrophobicContact CG2-CG 3.91Å; I569-F574 HydrophobicContact CG2-CD1 4.24Å; I569-F574 HydrophobicContact CG2-CE1 4.03Å
570G65.9Low62.7Low27 Ų27109.1 Ų109.128%0.27856%0.564SS.*  trans-71.3155.3178.900000113.1D572 W573 F574G570-D572 WeakPolarHBondContact CA-OD1 3.33Å; G570-D572 PolarHBondContact O-N 2.98Å; G570-W573 WeakPolarHBondContact O-CB 3.34Å; G570-W573 PolarHBondContact O-N 3.25Å; G570-F574 VanDerWaalsContact O-CD1 3.22Å; G570-F574 WeakPolarHBondContact O-CD1 3.1Å; G570-F574 WeakPolarHBondContact O-CE1 3.48Å
571L67.9Low61.9Low144 Ų144108.3 Ų108.375%0.75455%0.554SS**Hα-helixtrans-60.2-27176.5-81.3152.1000113W573 F574L571-W573 VanDerWaalsContact C-N 3.29Å; L571-W573 PolarHBondContact O-N 3.3Å; L571-F574 HydrophobicContact CD2-CD2 4.24Å; L571-F574 HydrophobicContact CD2-CE2 4.1Å; L571-F574 WeakPolarHBondContact O-CB 3.49Å; L571-F574 PolarHBondContact O-N 3.26Å
572D66.3Low61.2Low77 Ų77109.3 Ų109.341%0.41256%0.561SS.*Hα-helixtrans-64.5-30.417457.4-46.4000112.8G570 F574G570-D572 WeakPolarHBondContact CA-OD1 3.33Å; G570-D572 PolarHBondContact O-N 2.98Å; D572-F574 VanDerWaalsContact C-N 3.28Å; D572-F574 PolarHBondContact O-N 2.88Å
573W73.1Confident60.3Low54 Ų54108.6 Ų108.621%0.20555%0.553CS.*Hα-helixtrans-71.1-24.4176.1-68.356.1000112.5L556 R557 L558 I569 G570 L571 R575 T576 L577L556-W573 HydrophobicContact CB-CD2 4.13Å; L556-W573 HydrophobicContact CB-CH2 4.47Å; L556-W573 HydrophobicContact CB-CZ2 3.95Å; L556-W573 HydrophobicContact CD1-CB 4.14Å; L556-W573 HydrophobicContact CD1-CD2 3.57Å; L556-W573 HydrophobicContact CD1-CE3 3.61Å; L556-W573 HydrophobicContact CD1-CG 3.83Å; L556-W573 HydrophobicContact CD1-CZ3 4.16Å; L556-W573 HydrophobicContact CD2-CG 4.36Å; L556-W573 HydrophobicContact CG-CD2 4.35Å; L556-W573 HydrophobicContact CG-CG 4.47Å; R557-W573 PolarHBondContact O-NE1 3.45Å; L558-W573 HydrophobicContact CB-CZ2 4.28Å; L558-W573 HydrophobicContact CD1-CH2 4.43Å; L558-W573 HydrophobicContact CD1-CZ2 4.21Å; I569-W573 HydrophobicContact CG2-CB 3.53Å; I569-W573 HydrophobicContact CG2-CD2 4.32Å; I569-W573 HydrophobicContact CG2-CG 3.91Å; G570-W573 WeakPolarHBondContact O-CB 3.34Å; G570-W573 PolarHBondContact O-N 3.25Å; L571-W573 VanDerWaalsContact C-N 3.29Å; L571-W573 PolarHBondContact O-N 3.3Å; W573-R575 PolarHBondContact O-N 3.04Å; W573-T576 PolarHBondContact O-N 3.3Å; W573-L577 HydrophobicContact CB-CD1 4.32Å; W573-L577 HydrophobicContact CE3-CD1 4.2Å; W573-L577 WeakPolarHBondContact O-CB 3.43Å; W573-L577 WeakPolarHBondContact O-CG 3.37Å; W573-L577 PolarHBondContact O-N 3.15Å
574F69.6Low59.4Low45 Ų45110.3 Ų110.320%0.19756%0.56CS.*Hα-helixtrans-65.3-46.1-168.2-76.528.1000111.6I569 G570 L571 D572 T576 L577 G578 L579 I581I569-F574 HydrophobicContact CG2-CD1 4.24Å; I569-F574 HydrophobicContact CG2-CE1 4.03Å; G570-F574 VanDerWaalsContact O-CD1 3.22Å; G570-F574 WeakPolarHBondContact O-CD1 3.1Å; G570-F574 WeakPolarHBondContact O-CE1 3.48Å; L571-F574 HydrophobicContact CD2-CD2 4.24Å; L571-F574 HydrophobicContact CD2-CE2 4.1Å; L571-F574 WeakPolarHBondContact O-CB 3.49Å; L571-F574 PolarHBondContact O-N 3.26Å; D572-F574 VanDerWaalsContact C-N 3.28Å; D572-F574 PolarHBondContact O-N 2.88Å; F574-T576 PolarHBondContact O-N 2.94Å; F574-L577 PolarHBondContact O-N 2.83Å; F574-G578 CarbonylContact O-C 3.57Å; F574-G578 WeakPolarHBondContact O-CA 3.38Å; F574-G578 PolarHBondContact O-N 3.46Å; F574-L579 HydrophobicContact CB-CB 4.12Å; F574-L579 HydrophobicContact CD1-CB 4.49Å; F574-L579 HydrophobicContact CD1-CD1 4.11Å; F574-L579 HydrophobicContact CD2-CB 4.37Å; F574-L579 HydrophobicContact CE1-CD1 4.44Å; F574-L579 HydrophobicContact CG-CB 4.07Å; F574-L579 PolarHBondContact O-N 3.02Å; F574-I581 HydrophobicContact CE2-CD1 3.67Å; F574-I581 HydrophobicContact CE2-CG1 3.82Å; F574-I581 HydrophobicContact CZ-CD1 4.32Å
575R62.5Low58.2Low176 Ų176104 Ų10466%0.66455%0.546SS*.Hα-helixtrans-62.7-44.4179.3-166.8-179.3-173.3-165.94.7111.6S368 W573 G578S368-R575 PolarHBondContact OG-NH1 2.9Å; S368-R575 PolarHBondContact OG-NH2 3.31Å; W573-R575 PolarHBondContact O-N 3.04Å; R575-G578 PolarHBondContact O-N 3.35Å
576T64.9Low57.4Low43 Ų43105.8 Ų105.826%0.26456%0.556SS.*Hα-helixtrans-65.4-47178.9-56.70000111.2K552 L556 W573 F574 G578K552-T576 WeakPolarHBondContact CD-O 3.31Å; K552-T576 PolarHBondContact NZ-O 2.84Å; L556-T576 HydrophobicContact CD1-CG2 3.92Å; L556-T576 HydrophobicContact CD2-CG2 4.42Å; L556-T576 HydrophobicContact CG-CG2 4.26Å; W573-T576 PolarHBondContact O-N 3.3Å; F574-T576 PolarHBondContact O-N 2.94Å; T576-G578 VanDerWaalsContact C-N 3.29Å; T576-G578 PolarHBondContact O-N 3.43Å
577L65.8Low56.2Low88 Ų88102.6 Ų102.646%0.46155%0.552SS.*Hα-helixtrans-72.6-19.4176.2-66.3179.7000113.3W573 F574 L579W573-L577 HydrophobicContact CB-CD1 4.32Å; W573-L577 HydrophobicContact CE3-CD1 4.2Å; W573-L577 WeakPolarHBondContact O-CB 3.43Å; W573-L577 WeakPolarHBondContact O-CG 3.37Å; W573-L577 PolarHBondContact O-N 3.15Å; F574-L577 PolarHBondContact O-N 2.83Å; L577-L579 HydrophobicContact CB-CD1 4.2Å; L577-L579 HydrophobicContact CB-CG 3.86Å; L577-L579 HydrophobicContact CD1-CD1 3.9Å; L577-L579 HydrophobicContact CD1-CG 4.45Å
578G61.2Low55Low48 Ų48101.9 Ų101.950%0.49555%0.553SS.*THydrogen-bonded Turntrans78.720.2-171.700000114.1F574 R575 T576F574-G578 CarbonylContact O-C 3.57Å; F574-G578 WeakPolarHBondContact O-CA 3.38Å; F574-G578 PolarHBondContact O-N 3.46Å; R575-G578 PolarHBondContact O-N 3.35Å; T576-G578 VanDerWaalsContact C-N 3.29Å; T576-G578 PolarHBondContact O-N 3.43Å
579L62.8Low53.9Low53 Ų53103.4 Ų103.428%0.27756%0.556SS.*  trans-73.4135.2171.8-54.6174.4000109.2F542 F574 L577F542-L579 HydrophobicContact CD1-CD2 3.93Å; F542-L579 HydrophobicContact CE1-CD2 3.63Å; F574-L579 HydrophobicContact CB-CB 4.12Å; F574-L579 HydrophobicContact CD1-CB 4.49Å; F574-L579 HydrophobicContact CD1-CD1 4.11Å; F574-L579 HydrophobicContact CD2-CB 4.37Å; F574-L579 HydrophobicContact CE1-CD1 4.44Å; F574-L579 HydrophobicContact CG-CB 4.07Å; F574-L579 PolarHBondContact O-N 3.02Å; L577-L579 HydrophobicContact CB-CD1 4.2Å; L577-L579 HydrophobicContact CB-CG 3.86Å; L577-L579 HydrophobicContact CD1-CD1 3.9Å; L577-L579 HydrophobicContact CD1-CG 4.45Å
580N52.8Low52.6Low116 Ų116101.8 Ų101.862%0.6255%0.552SS**  trans-136.7122.7173.8-172.5-3.2000108.6S582N580-S582 VanDerWaalsContact C-N 3.29Å; N580-S582 PolarHBondContact O-N 2.85Å
581I55.9Low51.7Low115 Ų115102.5 Ų102.559%0.5955%0.553SS**  trans-78.187.5171.6-60.7178.7000107.1F574 R583F574-I581 HydrophobicContact CE2-CD1 3.67Å; F574-I581 HydrophobicContact CE2-CG1 3.82Å; F574-I581 HydrophobicContact CZ-CD1 4.32Å; I581-R583 VanDerWaalsContact C-N 3.29Å; I581-R583 WeakPolarHBondContact CG2-O 3.42Å
582S47.6Very low50.9Low99 Ų9999.4 Ų99.469%0.69255%0.548SS*.  trans-73.2-21.4178.156.20000113.3N580N580-S582 VanDerWaalsContact C-N 3.29Å; N580-S582 PolarHBondContact O-N 2.85Å
583R35.5Very low50.2Low207 Ų20796.6 Ų96.678%0.78153%0.533SS*.  trans-147.5139.1179.1-65.8-174.7176.3164.1-1.2111.3I581I581-R583 VanDerWaalsContact C-N 3.29Å; I581-R583 WeakPolarHBondContact CG2-O 3.42Å
584A41.3Very low49.3Very low98 Ų9898.6 Ų98.681%0.8155%0.545SS*.  trans-104.6115.716300000107.9
585N34.1Very low48.6Very low135 Ų135102.3 Ų102.372%0.72257%0.566SS**  trans-89.9130.9173.4-65.2-15.7000108.4V587N585-V587 PolarHBondContact O-N 2.76Å; N585-V587 VanDerWaalsContact O-N 3.12Å
586L35.4Very low48.5Very low159 Ų15996.2 Ų96.283%0.83255%0.551SS**  trans-71.8103.4168.3178.465.3000108T588L586-T588 PolarHBondContact O-N 3.09Å
587V30.9Very low48.5Very low126 Ų12694.5 Ų94.576%0.76454%0.54SS*.  trans-8795.3163.8-176.40000106.3N585N585-V587 PolarHBondContact O-N 2.76Å; N585-V587 VanDerWaalsContact O-N 3.12Å
588T35.7Very low48.6Very low87 Ų8794.7 Ų94.753%0.53454%0.538SS..  trans-66129.3161.4-41.90000106.7L586 S590L586-T588 PolarHBondContact O-N 3.09Å; T588-S590 PolarHBondContact O-N 3.47Å
589E39Very low49.3Very low191 Ų19197.2 Ų97.289%0.89354%0.537SS*.  trans-71.573.1159.7-72.3-179169.400107.2S591E589-S591 PolarHBondContact O-N 3.35Å; E589-S591 VanDerWaalsContact O-N 3.09Å
590S37.1Very low49.8Very low50 Ų5094.7 Ų94.735%0.3552%0.524SS..  trans-60.6114.4165-800000106.2T588 E594T588-S590 PolarHBondContact O-N 3.47Å; S590-E594 WeakPolarHBondContact CA-OE2 3.35Å; S590-E594 WeakPolarHBondContact CB-OE2 3.48Å; S590-E594 PolarHBondContact OG-OE2 2.85Å
591S46Very low50.9Low41 Ų4197.4 Ų97.429%0.28753%0.525SS..  trans-57.3145.7171.3640000107.4E589 L593 E594E589-S591 PolarHBondContact O-N 3.35Å; E589-S591 VanDerWaalsContact O-N 3.09Å; S591-L593 PolarHBondContact O-N 3.15Å; S591-E594 PolarHBondContact O-N 2.9Å
592A51.4Low51.9Low80 Ų8094.6 Ų94.666%0.66151%0.512SS*.Hα-helixtrans-57.1-11.2-179.800000113.1S596A592-S596 WeakPolarHBondContact O-CB 3.37Å; A592-S596 PolarHBondContact O-N 3.39Å; A592-S596 PolarHBondContact O-OG 3.47Å
593L51.6Low53.1Low17 Ų1789.9 Ų89.99%0.08948%0.479CS..Hα-helixtrans-68.7-36.7170.5-141.478.2000114S591 S596 F597 A772 F796 E797S591-L593 PolarHBondContact O-N 3.15Å; L593-S596 WeakPolarHBondContact O-CB 3.42Å; L593-S596 PolarHBondContact O-N 3.36Å; L593-F597 HydrophobicContact CB-CE2 4.42Å; L593-F597 HydrophobicContact CD2-CE2 3.83Å; L593-F597 HydrophobicContact CD2-CZ 3.9Å; L593-F597 HydrophobicContact CG-CE2 3.81Å; L593-F597 HydrophobicContact CG-CZ 3.96Å; L593-F597 WeakPolarHBondContact O-CD2 3.34Å; L593-F597 WeakPolarHBondContact O-CE2 3.24Å; L593-F597 PolarHBondContact O-N 3Å; L593-A772 HydrophobicContact CD1-CB 3.52Å; L593-F796 HydrophobicContact CD2-CB 4.37Å; L593-E797 HydrophobicContact CD2-CG 4.1Å
594E53.3Low54.9Low97 Ų9781.8 Ų81.845%0.45345%0.449SS..Hα-helixtrans-67.1-47.9-177.9-70.6-170.714600111.8S590 S591 S596 F597S590-E594 WeakPolarHBondContact CA-OE2 3.35Å; S590-E594 WeakPolarHBondContact CB-OE2 3.48Å; S590-E594 PolarHBondContact OG-OE2 2.85Å; S591-E594 PolarHBondContact O-N 2.9Å; E594-S596 PolarHBondContact O-N 3.06Å; E594-F597 PolarHBondContact O-N 3.25Å; E594-F597 VanDerWaalsContact O-N 3.13Å
595D56.8Low56.2Low122 Ų12279.5 Ų79.565%0.65243%0.428SS*.Hα-helixtrans-60.5-34.7173.2-67.3-28.7000111.2F597 E598D595-F597 PolarHBondContact O-N 3.44Å; D595-E598 PolarHBondContact O-N 3.44Å
596S58.4Low57.3Low49 Ų4981.5 Ų81.534%0.34343%0.432SS..THydrogen-bonded Turntrans-67.4-10.7177.6-68.60000114.7A592 L593 E594 K776A592-S596 WeakPolarHBondContact O-CB 3.37Å; A592-S596 PolarHBondContact O-N 3.39Å; A592-S596 PolarHBondContact O-OG 3.47Å; L593-S596 WeakPolarHBondContact O-CB 3.42Å; L593-S596 PolarHBondContact O-N 3.36Å; E594-S596 PolarHBondContact O-N 3.06Å; S596-K776 PolarHBondContact O-NZ 2.84Å; S596-K776 VanDerWaalsContact O-NZ 3.08Å
597F65.3Low58.6Low6 Ų677.8 Ų77.83%0.02642%0.418CS..THydrogen-bonded Turntrans-98.1-2.4176.6-66.8-55.6000114L593 E594 D595 E599 F600 P775 K776 L779 F796L593-F597 HydrophobicContact CB-CE2 4.42Å; L593-F597 HydrophobicContact CD2-CE2 3.83Å; L593-F597 HydrophobicContact CD2-CZ 3.9Å; L593-F597 HydrophobicContact CG-CE2 3.81Å; L593-F597 HydrophobicContact CG-CZ 3.96Å; L593-F597 WeakPolarHBondContact O-CD2 3.34Å; L593-F597 WeakPolarHBondContact O-CE2 3.24Å; L593-F597 PolarHBondContact O-N 3Å; E594-F597 PolarHBondContact O-N 3.25Å; E594-F597 VanDerWaalsContact O-N 3.13Å; D595-F597 PolarHBondContact O-N 3.44Å; F597-E599 PolarHBondContact O-N 2.69Å; F597-F600 HydrophobicContact CD1-CD2 4.07Å; F597-F600 HydrophobicContact CD1-CE2 4.5Å; F597-F600 PolarHBondContact O-N 3.31Å; F597-P775 HydrophobicContact CE1-CB 4.13Å; F597-P775 HydrophobicContact CZ-CB 3.93Å; F597-K776 HydrophobicContact CE1-CG 4.04Å; F597-L779 HydrophobicContact CD1-CD1 3.59Å; F597-L779 HydrophobicContact CE1-CD1 3.75Å; F597-F796 HydrophobicContact CD2-CE2 4.39Å; F597-F796 HydrophobicContact CE2-CD1 4.05Å; F597-F796 HydrophobicContact CE2-CD2 4.12Å; F597-F796 HydrophobicContact CE2-CE1 4.04Å; F597-F796 HydrophobicContact CE2-CE2 4.1Å; F597-F796 HydrophobicContact CE2-CG 4.09Å; F597-F796 HydrophobicContact CE2-CZ 4.06Å; F597-F796 HydrophobicContact CZ-CD1 4.11Å; F597-F796 AromaticContact CZ-CE1 3.97Å; F597-F796 HydrophobicContact CZ-CE1 3.97Å; F597-F796 HydrophobicContact CZ-CZ 4.32Å
598E68.8Low59.9Low93 Ų9372.8 Ų72.844%0.43539%0.387SS..G310 helixtrans-67.1-20.5178.4-155.562.4-169.400111.8D595 F600 R601 K791D595-E598 PolarHBondContact O-N 3.44Å; E598-F600 PolarHBondContact O-N 3.46Å; E598-R601 WeakPolarHBondContact O-CB 3.27Å; E598-R601 PolarHBondContact O-N 3.48Å; E598-R601 WeakPolarHBondContact OE1-CD 3.24Å; E598-R601 IonicContact OE1-NH1 3.48Å; E598-K791 IonicContact OE2-NZ 3.63Å; E598-K791 PolarHBondContact OE2-NZ 3.14Å; E598-K791 VanDerWaalsContact OE2-NZ 3.09Å
599E76.1Confident60.8Low100 Ų10074.1 Ų74.147%0.46739%0.387SS..G310 helixtrans-60.3-23167.477.3178.5140.300113.3F597 K776 R783F597-E599 PolarHBondContact O-N 2.69Å; E599-K776 WeakPolarHBondContact OE1-CE 3.35Å; E599-K776 IonicContact OE1-NZ 2.65Å; E599-K776 PolarHBondContact OE1-NZ 3.09Å; E599-R783 PolarHBondContact O-NH2 2.9Å
600F73.5Confident61.6Low1 Ų167.5 Ų67.50%0.00436%0.362CS..G310 helixtrans-10420.9-178.3-63.3-70.5000113.5F597 E598 D602 I603 F604 K776 L779 Q780F597-F600 HydrophobicContact CD1-CD2 4.07Å; F597-F600 HydrophobicContact CD1-CE2 4.5Å; F597-F600 PolarHBondContact O-N 3.31Å; E598-F600 PolarHBondContact O-N 3.46Å; F600-D602 WeakPolarHBondContact CA-OD1 3.38Å; F600-D602 PolarHBondContact O-N 3.07Å; F600-D602 VanDerWaalsContact O-N 3.16Å; F600-I603 HydrophobicContact CB-CD1 4.06Å; F600-I603 HydrophobicContact CB-CG1 4.49Å; F600-I603 HydrophobicContact CD1-CD1 3.64Å; F600-I603 HydrophobicContact CG-CD1 4.19Å; F600-I603 PolarHBondContact O-N 3.17Å; F600-F604 HydrophobicContact CB-CE2 4.1Å; F600-F604 WeakPolarHBondContact O-CD2 3.37Å; F600-K776 HydrophobicContact CE2-CB 4.25Å; F600-K776 HydrophobicContact CE2-CD 4.32Å; F600-K776 HydrophobicContact CE2-CG 4Å; F600-K776 HydrophobicContact CZ-CB 4.38Å; F600-L779 HydrophobicContact CB-CD1 4.29Å; F600-L779 HydrophobicContact CD1-CB 3.88Å; F600-L779 HydrophobicContact CD2-CB 4.21Å; F600-L779 HydrophobicContact CD2-CD1 3.83Å; F600-L779 HydrophobicContact CE1-CB 3.99Å; F600-L779 HydrophobicContact CE2-CB 4.32Å; F600-L779 HydrophobicContact CE2-CD1 4.36Å; F600-L779 HydrophobicContact CG-CB 4Å; F600-L779 HydrophobicContact CG-CD1 4.06Å; F600-L779 HydrophobicContact CZ-CB 4.22Å; F600-Q780 HydrophobicContact CE1-CG 3.78Å; F600-Q780 HydrophobicContact CZ-CG 3.8Å
601R75.7Confident62.6Low172 Ų17265.9 Ų65.965%0.64935%0.348SS*.THydrogen-bonded Turntrans-57.7-27.9-178-178.7173.9172.9179.9-5.7114.1E598 F604 S605E598-R601 WeakPolarHBondContact O-CB 3.27Å; E598-R601 PolarHBondContact O-N 3.48Å; E598-R601 WeakPolarHBondContact OE1-CD 3.24Å; E598-R601 IonicContact OE1-NH1 3.48Å; R601-F604 CarbonylContact O-C 3.48Å; R601-F604 PolarHBondContact O-N 3.21Å; R601-S605 WeakPolarHBondContact O-CB 3.39Å; R601-S605 PolarHBondContact O-N 3.15Å; R601-S605 VanDerWaalsContact O-N 3.11Å
602D76.9Confident63.5Low56 Ų5669.5 Ų69.530%0.29937%0.369SS..THydrogen-bonded Turntrans-59.9-41.9171.459.7-38.5000113.4F600 F604 S605 R783 R788F600-D602 WeakPolarHBondContact CA-OD1 3.38Å; F600-D602 PolarHBondContact O-N 3.07Å; F600-D602 VanDerWaalsContact O-N 3.16Å; D602-F604 PolarHBondContact O-N 3.33Å; D602-S605 PolarHBondContact O-N 3.05Å; D602-S605 PolarHBondContact O-OG 3.48Å; D602-R783 VanDerWaalsContact CG-NH2 3.3Å; D602-R783 IonicContact OD1-CZ 3.62Å; D602-R783 IonicContact OD1-NE 3.67Å; D602-R783 IonicContact OD1-NH2 2.7Å; D602-R783 PolarHBondContact OD1-NH2 3.1Å; D602-R783 IonicContact OD2-CZ 3.45Å; D602-R783 IonicContact OD2-NE 2.77Å; D602-R783 PolarHBondContact OD2-NE 3.11Å; D602-R783 IonicContact OD2-NH2 3.25Å; D602-R783 PolarHBondContact OD2-NH2 3Å; D602-R788 PolarHBondContact O-NE 3.37Å; D602-R788 VanDerWaalsContact O-NE 3.14Å
603I72.6Confident63.9Low0 Ų067.6 Ų67.60%035%0.351CS..THydrogen-bonded Turntrans-67.8-26.3178.5-55.8177.3000111.5F600 L779 F782 R783 R788 A789F600-I603 HydrophobicContact CB-CD1 4.06Å; F600-I603 HydrophobicContact CB-CG1 4.49Å; F600-I603 HydrophobicContact CD1-CD1 3.64Å; F600-I603 HydrophobicContact CG-CD1 4.19Å; F600-I603 PolarHBondContact O-N 3.17Å; I603-L779 HydrophobicContact CD1-CB 3.81Å; I603-L779 HydrophobicContact CD1-CD2 4.07Å; I603-L779 WeakPolarHBondContact CD1-O 3.34Å; I603-L779 HydrophobicContact CG2-CD2 4.11Å; I603-F782 HydrophobicContact CD1-CB 4.24Å; I603-F782 HydrophobicContact CG2-CB 4.26Å; I603-F782 HydrophobicContact CG2-CD2 4.32Å; I603-R783 HydrophobicContact CD1-CB 3.97Å; I603-R783 HydrophobicContact CG1-CB 4.2Å; I603-R788 WeakPolarHBondContact O-CA 3.34Å; I603-R788 VanDerWaalsContact O-CD 3.26Å; I603-R788 WeakPolarHBondContact O-CD 3.2Å; I603-A789 HydrophobicContact CG2-CB 4.21Å; I603-A789 PolarHBondContact O-N 3.48Å
604F73.5Confident64.6Low37 Ų3772.3 Ų72.316%0.16238%0.382CS..THydrogen-bonded Turntrans-97.33.6178.5-56.5-63000113.2F600 R601 D602 L779 A789 K791F600-F604 HydrophobicContact CB-CE2 4.1Å; F600-F604 WeakPolarHBondContact O-CD2 3.37Å; R601-F604 CarbonylContact O-C 3.48Å; R601-F604 PolarHBondContact O-N 3.21Å; D602-F604 PolarHBondContact O-N 3.33Å; F604-L779 HydrophobicContact CE1-CD2 4.44Å; F604-L779 HydrophobicContact CE2-CD1 4.48Å; F604-L779 HydrophobicContact CZ-CD1 4.17Å; F604-L779 HydrophobicContact CZ-CD2 3.91Å; F604-A789 HydrophobicContact CD1-CB 4.15Å; F604-A789 WeakPolarHBondContact CD1-O 3.31Å; F604-A789 HydrophobicContact CE1-CB 3.87Å; F604-K791 HydrophobicContact CB-CB 4.17Å; F604-K791 HydrophobicContact CD1-CB 3.66Å; F604-K791 HydrophobicContact CD1-CG 4.27Å; F604-K791 HydrophobicContact CD2-CD 4.29Å; F604-K791 HydrophobicContact CE1-CB 4.19Å; F604-K791 HydrophobicContact CE1-CG 4.49Å; F604-K791 HydrophobicContact CG-CB 3.93Å; F604-K791 HydrophobicContact CG-CD 4.28Å; F604-K791 HydrophobicContact CG-CG 4.31Å
605S67.4Low65.5Low51 Ų5173.8 Ų73.836%0.35739%0.389SS..  trans-91.8166.5-178.280.20000113.1R601 D602R601-S605 WeakPolarHBondContact O-CB 3.39Å; R601-S605 PolarHBondContact O-N 3.15Å; R601-S605 VanDerWaalsContact O-N 3.11Å; D602-S605 PolarHBondContact O-N 3.05Å; D602-S605 PolarHBondContact O-OG 3.48Å
606Q57.8Low66.3Low176 Ų17668.6 Ų68.682%0.82236%0.362SS*.SBendtrans-110.2150.1168-67.5179.6-1.600108.4
607P62.9Low67Low82 Ų8269.6 Ų69.653%0.53237%0.373SS..SBendcis-84.6176.88.234.3-36.7000115.2E609P607-E609 PolarHBondContact O-N 3.2Å
608L57.2Low67.2Low21 Ų2170.2 Ų70.211%0.1138%0.377CS..  trans-71.687.3172.7-73172000111.5Q700 Q704 R728 R788L608-Q700 HydrophobicContact CD1-CB 4.43Å; L608-Q704 HydrophobicContact CD2-CG 4.37Å; L608-R728 PolarHBondContact O-NH2 3.39Å; L608-R788 HydrophobicContact CD2-CB 4.24Å; L608-R788 HydrophobicContact CD2-CG 4.44Å
609E55.3Low67.2Low114 Ų11470.1 Ų70.153%0.53338%0.384SS..PPolyproline II helixtrans-66.5153.3162.2-66.1179.8162.800111P607 R788P607-E609 PolarHBondContact O-N 3.2Å; E609-R788 IonicContact OE2-CZ 3.57Å; E609-R788 IonicContact OE2-NH1 3.33Å; E609-R788 IonicContact OE2-NH2 3.59Å; E609-R788 PolarHBondContact OE2-NH2 3.31Å
610S56Low66.7Low53 Ų5369.8 Ų69.837%0.37139%0.385SS..PPolyproline II helixtrans-88.1152.3-162.8-46.60000113.7T612S610-T612 PolarHBondContact O-OG1 3.32Å
611Y59Low66.4Low16 Ų1671.6 Ų71.66%0.06340%0.404CS..PPolyproline II helixtrans-62.9128.6165.8177.7-116.1000111.5S613 Q704 L705 V743 L785 F787Y611-S613 WeakPolarHBondContact CE1-OG 3.23Å; Y611-S613 PolarHBondContact O-N 3.01Å; Y611-S613 WeakPolarHBondContact OH-CB 3.38Å; Y611-S613 PolarHBondContact OH-OG 3.14Å; Y611-Q704 VanDerWaalsContact CB-O 3.24Å; Y611-Q704 WeakPolarHBondContact CB-O 3.37Å; Y611-Q704 PolarHBondContact N-O 3.12Å; Y611-L705 HydrophobicContact CD1-CD2 3.75Å; Y611-L705 HydrophobicContact CE1-CD2 4.06Å; Y611-L705 HydrophobicContact CG-CD2 4.04Å; Y611-V743 HydrophobicContact CE1-CG1 4.03Å; Y611-V743 HydrophobicContact CE2-CG1 4.32Å; Y611-V743 WeakPolarHBondContact OH-CG1 3.3Å; Y611-L785 VanDerWaalsContact CA-O 3.31Å; Y611-L785 WeakPolarHBondContact CA-O 3.49Å; Y611-L785 HydrophobicContact CD2-CB 4.08Å; Y611-L785 WeakPolarHBondContact CD2-O 3.45Å; Y611-L785 HydrophobicContact CE2-CB 3.94Å; Y611-L785 HydrophobicContact CE2-CD1 4.29Å; Y611-L785 HydrophobicContact CE2-CD2 4.25Å; Y611-L785 HydrophobicContact CE2-CG 4.39Å; Y611-F787 AromaticContact CD2-CD1 3.98Å; Y611-F787 HydrophobicContact CD2-CD1 3.98Å; Y611-F787 HydrophobicContact CD2-CD2 4.32Å; Y611-F787 AromaticContact CD2-CE1 3.37Å; Y611-F787 HydrophobicContact CD2-CE1 3.37Å; Y611-F787 AromaticContact CD2-CE2 3.75Å; Y611-F787 HydrophobicContact CD2-CE2 3.75Å; Y611-F787 HydrophobicContact CD2-CG 4.44Å; Y611-F787 AromaticContact CD2-CZ 3.24Å; Y611-F787 HydrophobicContact CD2-CZ 3.24Å; Y611-F787 HydrophobicContact CE2-CD2 4.43Å; Y611-F787 AromaticContact CE2-CE1 3.86Å; Y611-F787 HydrophobicContact CE2-CE1 3.86Å; Y611-F787 AromaticContact CE2-CE2 3.54Å; Y611-F787 HydrophobicContact CE2-CE2 3.54Å; Y611-F787 AromaticContact CE2-CZ 3.2Å; Y611-F787 HydrophobicContact CE2-CZ 3.2Å; Y611-F787 AromaticContact CG-CE1 3.89Å; Y611-F787 HydrophobicContact CG-CE1 3.89Å; Y611-F787 HydrophobicContact CG-CZ 4.08Å
612T63.2Low66.2Low116 Ų11669.7 Ų69.771%0.71241%0.414SS*.  trans-102.250.3-171.2-41.80000112.8S610 L785S610-T612 PolarHBondContact O-OG1 3.32Å; T612-L785 PolarHBondContact N-O 3.31Å
613S59.6Low66Low41 Ų4174.2 Ų74.229%0.28744%0.438SS..SBendtrans-141.6164.4179.1136.50000110.7Y611Y611-S613 WeakPolarHBondContact CE1-OG 3.23Å; Y611-S613 PolarHBondContact O-N 3.01Å; Y611-S613 WeakPolarHBondContact OH-CB 3.38Å; Y611-S613 PolarHBondContact OH-OG 3.14Å
614P67.1Low65.8Low116 Ų11677.7 Ų77.775%0.75346%0.459SS*.  trans-37.8138-175.97-28.2000116.2
615E73Confident65.7Low128 Ų12880.4 Ų80.460%0.59848%0.481SS*.PPolyproline II helixtrans-57.9137-179-61.8-175.9166.500112.2A617 I706 G708E615-A617 PolarHBondContact O-N 3.37Å; E615-I706 HydrophobicContact CG-CG2 4.4Å; E615-G708 WeakPolarHBondContact OE2-CA 3.14Å
616V73.1Confident65.8Low12 Ų1281.3 Ų81.37%0.07349%0.487CS..BIsolated β-bridgetrans-73.4124.4174.9165.70000110.5L705 I706 V707 G708 I739V616-L705 HydrophobicContact CG2-CB 4.15Å; V616-L705 HydrophobicContact CG2-CD1 4.13Å; V616-I706 WeakPolarHBondContact CB-O 3.44Å; V616-I706 PolarHBondContact N-O 3.27Å; V616-V707 HydrophobicContact CB-CG1 4.04Å; V616-V707 HydrophobicContact CG1-CG1 4Å; V616-V707 WeakPolarHBondContact O-CA 3.43Å; V616-G708 PolarHBondContact O-N 3.13Å; V616-G708 VanDerWaalsContact O-N 3.13Å; V616-I739 HydrophobicContact CB-CG2 4.43Å; V616-I739 HydrophobicContact CG1-CD1 4.14Å; V616-I739 HydrophobicContact CG1-CG2 3.57Å; V616-I739 HydrophobicContact CG2-CG2 3.96Å
617A72.4Confident66Low71 Ų7179.3 Ų79.359%0.58748%0.476SS*.PPolyproline II helixtrans-98.9133.2169.600000111.6E615 P619E615-A617 PolarHBondContact O-N 3.37Å; A617-P619 VanDerWaalsContact O-CD 3.32Å; A617-P619 WeakPolarHBondContact O-CD 3.38Å
618L70.2Confident66.5Low19 Ų1979.9 Ų79.910%0.09947%0.471CS..  trans-90.2106.4165.7-65176.6000108.4L620 S711 Q715 L729 V733 I735 I739L618-L620 PolarHBondContact O-N 2.83Å; L618-L620 VanDerWaalsContact O-N 3.11Å; L618-S711 PolarHBondContact N-OG 3.31Å; L618-Q715 HydrophobicContact CD1-CG 3.76Å; L618-L729 HydrophobicContact CD2-CD1 3.98Å; L618-V733 HydrophobicContact CD1-CG1 4.28Å; L618-V733 HydrophobicContact CD2-CG1 4.01Å; L618-I735 HydrophobicContact CD2-CG2 3.52Å; L618-I739 HydrophobicContact CD2-CD1 3.65Å
619P68.5Low67.1Low91 Ų9184 Ų8459%0.59149%0.488SS*.  trans-67.7113.5178.826.8-33.7000110.3A617 I735A617-P619 VanDerWaalsContact O-CD 3.32Å; A617-P619 WeakPolarHBondContact O-CD 3.38Å; P619-I735 HydrophobicContact CG-CD1 3.95Å
620L66.5Low68Low92 Ų9287.3 Ų87.348%0.48250%0.501SS..  trans-96.5142.7170.6-63.6176.4000109.5L618 W663 A714L618-L620 PolarHBondContact O-N 2.83Å; L618-L620 VanDerWaalsContact O-N 3.11Å; L620-W663 HydrophobicContact CD1-CZ2 4.16Å; L620-A714 HydrophobicContact CD1-CB 4.1Å
621G67.5Low68.9Low40 Ų4086.6 Ų86.641%0.41250%0.498SS..  trans-66.8148.5169.900000111N623 V624G621-N623 PolarHBondContact O-N 3.34Å; G621-N623 VanDerWaalsContact O-N 3.11Å; G621-V624 WeakPolarHBondContact O-CG2 3.33Å; G621-V624 PolarHBondContact O-N 3.16Å
622P71.4Confident69.8Low131 Ų13193 Ų9385%0.85152%0.522SS*.THydrogen-bonded Turntrans-60.5-28.4-170.921.9-33.4000114.1
623N71.7Confident70.4Confident152 Ų15295 Ų9581%0.81353%0.529SS*.THydrogen-bonded Turntrans-111.125.8-175-64.7-11.9000113.6G621 P625G621-N623 PolarHBondContact O-N 3.34Å; G621-N623 VanDerWaalsContact O-N 3.11Å; N623-P625 VanDerWaalsContact O-CD 3.26Å; N623-P625 WeakPolarHBondContact O-CD 3.28Å
624V68.9Low71.3Confident73 Ų7394.1 Ų94.144%0.44252%0.523SS..  trans-79.8114178-175.80000110.1G621 W663G621-V624 WeakPolarHBondContact O-CG2 3.33Å; G621-V624 PolarHBondContact O-N 3.16Å; V624-W663 HydrophobicContact CB-CH2 4.49Å; V624-W663 HydrophobicContact CG1-CH2 3.91Å; V624-W663 HydrophobicContact CG1-CZ3 4.41Å
625P70.2Confident71.7Confident93 Ų9392.7 Ų92.760%0.60451%0.514SS*.  trans-69.9140.8179.129.3-35000111.2N623 K627N623-P625 VanDerWaalsContact O-CD 3.26Å; N623-P625 WeakPolarHBondContact O-CD 3.28Å; P625-K627 PolarHBondContact O-N 3.28Å
626S71.2Confident72Confident71 Ų7192.8 Ų92.850%0.49752%0.523SS..  trans-64.2130.3178.452.80000111.8K662S626-K662 WeakPolarHBondContact CB-O 3.33Å
627K61.4Low72.4Confident133 Ų13395.3 Ų95.358%0.57855%0.546SS*.  trans-112134.5-179.7-69.7-179.5-179.8176.30111.2P625 W663 S664P625-K627 PolarHBondContact O-N 3.28Å; K627-W663 CarbonylContact O-C 3.55Å; K627-W663 WeakPolarHBondContact O-CA 3.38Å; K627-S664 PolarHBondContact O-N 3.11Å
628H73.4Confident72.9Confident94 Ų9493.5 Ų93.544%0.43553%0.526SS..  trans-130.3128.9-179.3179.9105.4000110.8S664 I718H628-S664 VanDerWaalsContact CA-OG 3.3Å; H628-S664 WeakPolarHBondContact CA-OG 3.36Å; H628-S664 PolarHBondContact ND1-OG 3.44Å; H628-I718 WeakPolarHBondContact CE1-CD1 3.47Å
629F70.2Confident73.5Confident107 Ų10797.6 Ų97.647%0.46954%0.54SS..  trans-117.1140172.8-59.9-75.5000111S664 L666F629-S664 WeakPolarHBondContact CD2-O 3.35Å; F629-S664 PolarHBondContact N-OG 2.91Å; F629-S664 PolarHBondContact O-OG 3.47Å; F629-L666 HydrophobicContact CB-CD2 3.99Å; F629-L666 HydrophobicContact CB-CG 4.06Å
630K73.8Confident74.5Confident184 Ų18496.6 Ų96.680%0.853%0.533SS*.PPolyproline II helixtrans-72.6141.9172.7-67-174.2176.6-1760110.9L666K630-L666 WeakPolarHBondContact O-CD2 3.4Å
631A75.7Confident75.5Confident38 Ų3896.7 Ų96.731%0.31453%0.527SS..PPolyproline II helixtrans-58.4147.3176.600000112.9I718 T719A631-I718 HydrophobicContact CB-CB 4.28Å; A631-I718 HydrophobicContact CB-CG2 3.7Å; A631-T719 WeakPolarHBondContact CB-O 3.32Å
632R76.3Confident76.3Confident152 Ų15294.9 Ų94.957%0.57451%0.508SS*.PPolyproline II helixtrans-93.2144.6171.9-68.9-173.7-73.6-153.1-5.7110.2A634 L666R632-A634 PolarHBondContact O-N 3.33Å; R632-L666 HydrophobicContact CG-CD2 4.32Å
633N76.6Confident77.2Confident158 Ų15890.5 Ų90.585%0.84548%0.476SS*.PPolyproline II helixtrans-60.3123.2170.9-71.4-15.6000110
634A77.8Confident78.1Confident21 Ų2188.3 Ų88.317%0.17446%0.464CS..PPolyproline II helixtrans-71.1140.1172.500000110.3R632 V636 R639 I642 H720R632-A634 PolarHBondContact O-N 3.33Å; A634-V636 PolarHBondContact O-N 3.11Å; A634-R639 HydrophobicContact CB-CB 4.26Å; A634-R639 HydrophobicContact CB-CG 4.39Å; A634-I642 HydrophobicContact CB-CD1 3.88Å; A634-H720 WeakPolarHBondContact CB-ND1 3.38Å
635P76.5Confident79Confident86 Ų8686 Ų8656%0.55845%0.449SS*.PPolyproline II helixtrans-58.1129.1172.9-21.731.4000111A637 I638 R639P635-A637 PolarHBondContact O-N 2.91Å; P635-I638 HydrophobicContact CB-CG1 4.2Å; P635-I638 HydrophobicContact CG-CD1 4.28Å; P635-I638 HydrophobicContact CG-CG1 4.35Å; P635-I638 WeakPolarHBondContact O-CG1 3.37Å; P635-I638 PolarHBondContact O-N 3.21Å; P635-R639 PolarHBondContact O-N 2.89Å
636V78.4Confident80Confident131 Ų13181.6 Ų81.679%0.79442%0.42SS*.THydrogen-bonded Turntrans-49.1-40.3-171.5-176.90000112.9A634 I638 R639A634-V636 PolarHBondContact O-N 3.11Å; V636-I638 VanDerWaalsContact C-N 3.3Å; V636-I638 PolarHBondContact O-N 2.99Å; V636-R639 PolarHBondContact O-N 3.22Å
637A81.1Confident80.9Confident65 Ų6582.2 Ų82.254%0.53742%0.418SS..THydrogen-bonded Turntrans-66.9-21.2-177.800000115.4P635P635-A637 PolarHBondContact O-N 2.91Å
638I83.7Confident82.3Confident33 Ų3378.8 Ų78.817%0.16940%0.401CS..THydrogen-bonded Turntrans-110.6-9.5177.966.3170.9000113.1P635 V636 R641 I642 P669 I671 I677P635-I638 HydrophobicContact CB-CG1 4.2Å; P635-I638 HydrophobicContact CG-CD1 4.28Å; P635-I638 HydrophobicContact CG-CG1 4.35Å; P635-I638 WeakPolarHBondContact O-CG1 3.37Å; P635-I638 PolarHBondContact O-N 3.21Å; V636-I638 VanDerWaalsContact C-N 3.3Å; V636-I638 PolarHBondContact O-N 2.99Å; I638-R641 PolarHBondContact O-N 3.16Å; I638-I642 HydrophobicContact CD1-CD1 3.97Å; I638-I642 HydrophobicContact CG1-CD1 3.94Å; I638-I642 PolarHBondContact O-N 3.46Å; I638-P669 HydrophobicContact CD1-CB 4.45Å; I638-I671 HydrophobicContact CG2-CD1 4.28Å; I638-I677 HydrophobicContact CB-CD1 4.3Å
639R83.7Confident83Confident105 Ų10574.8 Ų74.840%0.39638%0.383SS..Hα-helixtrans-55.7-49.5-174.7-178.4-178.8170.3160.52.8113.5A634 P635 V636 R641 I642 E643 H720A634-R639 HydrophobicContact CB-CB 4.26Å; A634-R639 HydrophobicContact CB-CG 4.39Å; P635-R639 PolarHBondContact O-N 2.89Å; V636-R639 PolarHBondContact O-N 3.22Å; R639-R641 VanDerWaalsContact C-N 3.26Å; R639-R641 PolarHBondContact O-N 3.01Å; R639-I642 WeakPolarHBondContact O-CB 3.41Å; R639-I642 PolarHBondContact O-N 3.29Å; R639-E643 HydrophobicContact CG-CG 4.49Å; R639-E643 IonicContact CZ-OE1 2.85Å; R639-E643 IonicContact NE-OE1 3.28Å; R639-E643 PolarHBondContact NE-OE1 3.38Å; R639-E643 IonicContact NE-OE2 2.68Å; R639-E643 IonicContact NH2-OE1 2.76Å; R639-E643 PolarHBondContact NH2-OE1 3.03Å; R639-E643 PolarHBondContact O-N 2.88Å; R639-H720 WeakPolarHBondContact CG-NE2 3.46Å; R639-H720 PolarHBondContact NE-CD2 3.38Å
640P88.2Confident83.8Confident70 Ų7072.5 Ų72.546%0.45538%0.375SS..Hα-helixtrans-58.9-37.3179.3-24.835.1000112.9I642 E643 D644P640-I642 VanDerWaalsContact C-N 3.27Å; P640-I642 PolarHBondContact O-N 3.33Å; P640-E643 PolarHBondContact O-N 3.25Å; P640-D644 PolarHBondContact O-N 2.78Å
641R86.9Confident84.4Confident94 Ų9472.9 Ų72.936%0.35538%0.377SS..Hα-helixtrans-73.4-16.9178.6-58.4-177.6-166.2175.26.8113.8T190 I638 R639 I677T190-R641 PolarHBondContact OG1-NH2 3.21Å; T190-R641 VanDerWaalsContact OG1-NH2 3.08Å; I638-R641 PolarHBondContact O-N 3.16Å; R639-R641 VanDerWaalsContact C-N 3.26Å; R639-R641 PolarHBondContact O-N 3.01Å; R641-I677 HydrophobicContact CB-CD1 3.55Å; R641-I677 HydrophobicContact CB-CG1 4.12Å
642I86.1Confident84.8Confident1 Ų172.9 Ų72.91%0.00537%0.37CS..Hα-helixtrans-81.7-41.6170.2-66164.9000108.9A634 I638 R639 P640 E645 I646 I667 P669 I677 L679A634-I642 HydrophobicContact CB-CD1 3.88Å; I638-I642 HydrophobicContact CD1-CD1 3.97Å; I638-I642 HydrophobicContact CG1-CD1 3.94Å; I638-I642 PolarHBondContact O-N 3.46Å; R639-I642 WeakPolarHBondContact O-CB 3.41Å; R639-I642 PolarHBondContact O-N 3.29Å; P640-I642 VanDerWaalsContact C-N 3.27Å; P640-I642 PolarHBondContact O-N 3.33Å; I642-E645 PolarHBondContact O-N 3.14Å; I642-I646 HydrophobicContact CG2-CD1 3.89Å; I642-I646 HydrophobicContact CG2-CG1 4.46Å; I642-I646 VanDerWaalsContact O-CG1 3.29Å; I642-I646 WeakPolarHBondContact O-CG1 3.46Å; I642-I646 PolarHBondContact O-N 3.41Å; I642-I667 HydrophobicContact CG2-CD1 4.2Å; I642-P669 HydrophobicContact CD1-CB 4.01Å; I642-P669 HydrophobicContact CD1-CG 3.56Å; I642-P669 HydrophobicContact CG1-CB 4.14Å; I642-P669 HydrophobicContact CG1-CG 4.1Å; I642-I677 HydrophobicContact CG1-CD1 3.77Å; I642-I677 HydrophobicContact CG1-CG2 4.43Å; I642-L679 HydrophobicContact CG2-CD2 4.07Å
643E90.5Very high85Confident39 Ų3967.4 Ų67.418%0.18236%0.362CS..Hα-helixtrans-61.8-48.4175.6-65.4166.4152.700110R639 P640 E645 I646 D647 H720 H721R639-E643 HydrophobicContact CG-CG 4.49Å; R639-E643 IonicContact CZ-OE1 2.85Å; R639-E643 IonicContact NE-OE1 3.28Å; R639-E643 PolarHBondContact NE-OE1 3.38Å; R639-E643 IonicContact NE-OE2 2.68Å; R639-E643 IonicContact NH2-OE1 2.76Å; R639-E643 PolarHBondContact NH2-OE1 3.03Å; R639-E643 PolarHBondContact O-N 2.88Å; P640-E643 PolarHBondContact O-N 3.25Å; E643-E645 VanDerWaalsContact C-N 3.27Å; E643-E645 PolarHBondContact O-N 2.95Å; E643-I646 WeakPolarHBondContact O-CB 3.33Å; E643-I646 PolarHBondContact O-N 2.78Å; E643-I646 VanDerWaalsContact O-N 3.08Å; E643-D647 PolarHBondContact O-N 2.94Å; E643-H720 WeakPolarHBondContact CG-NE2 3.21Å; E643-H720 IonicContact OE1-CD2 3.75Å; E643-H720 PolarHBondContact OE1-CD2 2.94Å; E643-H720 IonicContact OE1-NE2 2.71Å; E643-H720 PolarHBondContact OE1-NE2 2.83Å; E643-H721 IonicContact OE1-ND1 3.54Å
644D89.5Confident85.4Confident106 Ų10660 Ų6057%0.56732%0.322SS*.Hα-helixtrans-52.3-39.8173-65.6-35.4000113.3P640 R648P640-D644 PolarHBondContact O-N 2.78Å; D644-R648 WeakPolarHBondContact O-CB 3.48Å; D644-R648 PolarHBondContact O-N 2.84Å; D644-R648 VanDerWaalsContact O-N 3.08Å
645E88.4Confident85.9Confident25 Ų2559.7 Ų59.712%0.11732%0.317CS..Hα-helixtrans-79.1-32-179.1178.663.1-173.600111.9I642 E643 R648 L649 L679I642-E645 PolarHBondContact O-N 3.14Å; E643-E645 VanDerWaalsContact C-N 3.27Å; E643-E645 PolarHBondContact O-N 2.95Å; E645-R648 IonicContact OE1-CZ 2.83Å; E645-R648 IonicContact OE1-NE 3.46Å; E645-R648 IonicContact OE1-NH2 3.9Å; E645-R648 PolarHBondContact OE1-NH2 2.78Å; E645-R648 IonicContact OE2-CZ 3.48Å; E645-R648 IonicContact OE2-NE 2.63Å; E645-R648 PolarHBondContact OE2-NE 2.93Å; E645-R648 IonicContact OE2-NH2 3.19Å; E645-R648 PolarHBondContact OE2-NH2 3.22Å; E645-L649 HydrophobicContact CG-CD1 4.25Å; E645-L649 WeakPolarHBondContact O-CB 3.42Å; E645-L649 WeakPolarHBondContact O-CD1 3.46Å; E645-L649 WeakPolarHBondContact O-CG 3.44Å; E645-L649 PolarHBondContact O-N 3.26Å; E645-L679 HydrophobicContact CG-CD1 4.04Å; E645-L679 HydrophobicContact CG-CG 3.97Å
646I89.7Confident86.4Confident1 Ų157.9 Ų57.91%0.00530%0.301CS..Hα-helixtrans-63.8-47.5170.3-71.6166.5000109.6I642 E643 R648 L649 L650 I655 L679 T719 H721 F724I642-I646 HydrophobicContact CG2-CD1 3.89Å; I642-I646 HydrophobicContact CG2-CG1 4.46Å; I642-I646 VanDerWaalsContact O-CG1 3.29Å; I642-I646 WeakPolarHBondContact O-CG1 3.46Å; I642-I646 PolarHBondContact O-N 3.41Å; E643-I646 WeakPolarHBondContact O-CB 3.33Å; E643-I646 PolarHBondContact O-N 2.78Å; E643-I646 VanDerWaalsContact O-N 3.08Å; I646-R648 VanDerWaalsContact C-N 3.33Å; I646-R648 PolarHBondContact O-N 3.07Å; I646-L649 PolarHBondContact O-N 3.21Å; I646-L649 VanDerWaalsContact O-N 3.15Å; I646-L650 HydrophobicContact CG2-CD1 3.95Å; I646-L650 HydrophobicContact CG2-CG 4.49Å; I646-L650 WeakPolarHBondContact O-CG 3.32Å; I646-L650 PolarHBondContact O-N 3.48Å; I646-I655 HydrophobicContact CG2-CD1 4.09Å; I646-L679 HydrophobicContact CG1-CD1 3.79Å; I646-T719 HydrophobicContact CD1-CG2 3.89Å; I646-H721 HydrophobicContact CD1-CB 4.06Å; I646-F724 HydrophobicContact CG2-CE1 4.4Å; I646-F724 HydrophobicContact CG2-CE2 4.03Å; I646-F724 HydrophobicContact CG2-CZ 3.8Å
647D91Very high86.8Confident83 Ų8356 Ų5644%0.44429%0.292SS..Hα-helixtrans-62.1-40178.6-71.4-18.8000112E643 L650 K651E643-D647 PolarHBondContact O-N 2.94Å; D647-L650 PolarHBondContact O-N 2.94Å; D647-K651 VanDerWaalsContact O-CB 3.32Å; D647-K651 WeakPolarHBondContact O-CB 3.28Å; D647-K651 PolarHBondContact O-N 2.85Å
648R89.9Confident87Confident61 Ų6155.1 Ų55.123%0.2328%0.278CS..Hα-helixtrans-60.5-46.4172.8-168.6-170.469.374.410.5111.8D644 E645 I646 K651 E652 Q700D644-R648 WeakPolarHBondContact O-CB 3.48Å; D644-R648 PolarHBondContact O-N 2.84Å; D644-R648 VanDerWaalsContact O-N 3.08Å; E645-R648 IonicContact OE1-CZ 2.83Å; E645-R648 IonicContact OE1-NE 3.46Å; E645-R648 IonicContact OE1-NH2 3.9Å; E645-R648 PolarHBondContact OE1-NH2 2.78Å; E645-R648 IonicContact OE2-CZ 3.48Å; E645-R648 IonicContact OE2-NE 2.63Å; E645-R648 PolarHBondContact OE2-NE 2.93Å; E645-R648 IonicContact OE2-NH2 3.19Å; E645-R648 PolarHBondContact OE2-NH2 3.22Å; I646-R648 VanDerWaalsContact C-N 3.33Å; I646-R648 PolarHBondContact O-N 3.07Å; R648-K651 PolarHBondContact O-N 3.37Å; R648-E652 IonicContact CZ-OE1 3.33Å; R648-E652 IonicContact CZ-OE2 3.85Å; R648-E652 IonicContact NH1-OE1 2.69Å; R648-E652 PolarHBondContact NH1-OE1 3.28Å; R648-E652 IonicContact NH1-OE2 3.61Å; R648-E652 PolarHBondContact NH1-OE2 3.27Å; R648-E652 WeakPolarHBondContact O-CB 3.26Å; R648-E652 WeakPolarHBondContact O-CG 3.34Å; R648-E652 PolarHBondContact O-N 3.18Å; R648-Q700 VanDerWaalsContact NH2-NE2 3.11Å
649L88.1Confident86.7Confident11 Ų1158.4 Ų58.46%0.05830%0.304CS..Hα-helixtrans-69.3-33.1-179.4-70.9169.7000112.9E645 I646 G653 V654 I655 L679 L703E645-L649 HydrophobicContact CG-CD1 4.25Å; E645-L649 WeakPolarHBondContact O-CB 3.42Å; E645-L649 WeakPolarHBondContact O-CD1 3.46Å; E645-L649 WeakPolarHBondContact O-CG 3.44Å; E645-L649 PolarHBondContact O-N 3.26Å; I646-L649 PolarHBondContact O-N 3.21Å; I646-L649 VanDerWaalsContact O-N 3.15Å; L649-G653 PolarHBondContact O-N 3.21Å; L649-V654 HydrophobicContact CB-CB 4.27Å; L649-V654 HydrophobicContact CD2-CB 3.84Å; L649-V654 HydrophobicContact CD2-CG1 3.89Å; L649-V654 HydrophobicContact CD2-CG2 3.88Å; L649-V654 WeakPolarHBondContact O-CB 3.48Å; L649-V654 PolarHBondContact O-N 2.92Å; L649-I655 HydrophobicContact CB-CD1 3.81Å; L649-I655 HydrophobicContact CB-CG1 3.96Å; L649-I655 HydrophobicContact CB-CG2 4.26Å; L649-I655 PolarHBondContact O-N 2.97Å; L649-L679 HydrophobicContact CD1-CD1 4.12Å; L649-L703 HydrophobicContact CD2-CD1 4.29Å
650L87.6Confident86.2Confident58 Ų5859.6 Ų59.630%0.30432%0.318SS..Hα-helixtrans-63.8-49.7170.2-78.5165.6000110.5I646 D647 E652 G653 I655 F724I646-L650 HydrophobicContact CG2-CD1 3.95Å; I646-L650 HydrophobicContact CG2-CG 4.49Å; I646-L650 WeakPolarHBondContact O-CG 3.32Å; I646-L650 PolarHBondContact O-N 3.48Å; D647-L650 PolarHBondContact O-N 2.94Å; L650-E652 VanDerWaalsContact C-N 3.28Å; L650-E652 PolarHBondContact O-N 3.22Å; L650-G653 PolarHBondContact O-N 3.18Å; L650-I655 HydrophobicContact CD2-CD1 4.41Å; L650-I655 HydrophobicContact CD2-CG1 3.83Å; L650-I655 HydrophobicContact CG-CD1 4.04Å; L650-I655 HydrophobicContact CG-CG1 3.81Å; L650-F724 HydrophobicContact CD1-CE1 4.04Å; L650-F724 HydrophobicContact CD2-CD1 4.07Å; L650-F724 HydrophobicContact CD2-CE1 3.93Å; L650-F724 HydrophobicContact CG-CE1 4.34Å
651K86.9Confident85.3Confident193 Ų19359 Ų5984%0.83931%0.311SS*.Hα-helixtrans-61.6-33.6179.4-176.7175.7179177.70113.2D647 R648 G653D647-K651 VanDerWaalsContact O-CB 3.32Å; D647-K651 WeakPolarHBondContact O-CB 3.28Å; D647-K651 PolarHBondContact O-N 2.85Å; R648-K651 PolarHBondContact O-N 3.37Å; K651-G653 VanDerWaalsContact C-N 3.29Å
652E82.9Confident84.7Confident37 Ų3760.1 Ų60.117%0.17332%0.318CS..THydrogen-bonded Turntrans-84.42.1175.2-71.2173.8-163.700113.6R648 L650 V654 R728R648-E652 IonicContact CZ-OE1 3.33Å; R648-E652 IonicContact CZ-OE2 3.85Å; R648-E652 IonicContact NH1-OE1 2.69Å; R648-E652 PolarHBondContact NH1-OE1 3.28Å; R648-E652 IonicContact NH1-OE2 3.61Å; R648-E652 PolarHBondContact NH1-OE2 3.27Å; R648-E652 WeakPolarHBondContact O-CB 3.26Å; R648-E652 WeakPolarHBondContact O-CG 3.34Å; R648-E652 PolarHBondContact O-N 3.18Å; L650-E652 VanDerWaalsContact C-N 3.28Å; L650-E652 PolarHBondContact O-N 3.22Å; E652-V654 HydrophobicContact CB-CG2 3.93Å; E652-V654 PolarHBondContact O-N 3.01Å; E652-R728 PolarHBondContact O-NH2 3.21Å
653G82.3Confident84.4Confident38 Ų3862 Ų6239%0.39233%0.325SS..THydrogen-bonded Turntrans6521.2179.600000114.2L649 L650 K651L649-G653 PolarHBondContact O-N 3.21Å; L650-G653 PolarHBondContact O-N 3.18Å; K651-G653 VanDerWaalsContact C-N 3.29Å
654V84.3Confident83.6Confident1 Ų160.5 Ų60.51%0.00632%0.319CS..SBendtrans-74.9-35.4177.7-1770000110.5L649 E652 L703 K727 R728L649-V654 HydrophobicContact CB-CB 4.27Å; L649-V654 HydrophobicContact CD2-CB 3.84Å; L649-V654 HydrophobicContact CD2-CG1 3.89Å; L649-V654 HydrophobicContact CD2-CG2 3.88Å; L649-V654 WeakPolarHBondContact O-CB 3.48Å; L649-V654 PolarHBondContact O-N 2.92Å; E652-V654 HydrophobicContact CB-CG2 3.93Å; E652-V654 PolarHBondContact O-N 3.01Å; V654-L703 HydrophobicContact CG1-CB 4.47Å; V654-L703 HydrophobicContact CG1-CD1 4.35Å; V654-L703 HydrophobicContact CG1-CD2 3.81Å; V654-L703 HydrophobicContact CG1-CG 4.43Å; V654-K727 PolarHBondContact O-N 2.97Å; V654-R728 HydrophobicContact CG1-CB 4.22Å; V654-R728 HydrophobicContact CG1-CG 4.19Å
655I88.1Confident83Confident15 Ų1556.1 Ų56.18%0.07730%0.296CS..EExtended strand (participates in β ladder)trans-128.2152.8-178.672-179.2000110.6I646 L649 L650 F724 K725 I726I646-I655 HydrophobicContact CG2-CD1 4.09Å; L649-I655 HydrophobicContact CB-CD1 3.81Å; L649-I655 HydrophobicContact CB-CG1 3.96Å; L649-I655 HydrophobicContact CB-CG2 4.26Å; L649-I655 PolarHBondContact O-N 2.97Å; L650-I655 HydrophobicContact CD2-CD1 4.41Å; L650-I655 HydrophobicContact CD2-CG1 3.83Å; L650-I655 HydrophobicContact CG-CD1 4.04Å; L650-I655 HydrophobicContact CG-CG1 3.81Å; I655-F724 HydrophobicContact CB-CB 4.22Å; I655-F724 HydrophobicContact CD1-CB 4.42Å; I655-F724 HydrophobicContact CD1-CD1 4.16Å; I655-F724 HydrophobicContact CD1-CG 4.12Å; I655-F724 HydrophobicContact CG1-CD1 4.34Å; I655-K725 CarbonylContact C-O 3.49Å; I655-K725 VanDerWaalsContact CA-O 3.3Å; I655-K725 WeakPolarHBondContact CA-O 3.48Å; I655-I726 HydrophobicContact CB-CD1 3.92Å; I655-I726 HydrophobicContact CG2-CD1 3.37Å; I655-I726 HydrophobicContact CG2-CG2 4.08Å
656E87.4Confident82.2Confident48 Ų4856.5 Ų56.522%0.22430%0.299CS..EExtended strand (participates in β ladder)trans-132.5143.7173.465.7-177.8164.600110.3F724 K725 K727E656-F724 CarbonylContact O-C 3.58Å; E656-F724 WeakPolarHBondContact O-CA 3.49Å; E656-F724 WeakPolarHBondContact O-CB 3.39Å; E656-K725 HydrophobicContact CG-CB 3.49Å; E656-K725 VanDerWaalsContact CG-CB 3.49Å; E656-K725 PolarHBondContact N-O 3.01Å; E656-K725 PolarHBondContact O-N 2.79Å; E656-K725 WeakPolarHBondContact OE1-CB 3.49Å; E656-K725 WeakPolarHBondContact OE1-CD 3.02Å; E656-K725 WeakPolarHBondContact OE1-CE 3.39Å; E656-K725 IonicContact OE1-NZ 2.68Å; E656-K725 PolarHBondContact OE1-NZ 3.49Å; E656-K727 WeakPolarHBondContact OE1-CE 3.39Å; E656-K727 WeakPolarHBondContact OE2-CE 3.44Å; E656-K727 IonicContact OE2-NZ 3.76Å; E656-K727 PolarHBondContact OE2-NZ 2.94Å
657P86.7Confident81.9Confident93 Ų9357.7 Ų57.760%0.60431%0.305SS*.EExtended strand (participates in β ladder)trans-69147.5177.229-34.4000112A723 F724P657-A723 WeakPolarHBondContact CA-O 3.44Å; P657-F724 HydrophobicContact CB-CD1 4.14Å; P657-F724 HydrophobicContact CB-CE1 4.08Å
658I83.9Confident81.3Confident45 Ų4555.9 Ų55.923%0.23130%0.297CS..  trans-134.1143.4173.2-31.7176.3000111.4N660 M716 A723 K725I658-N660 WeakPolarHBondContact CG2-O 3.33Å; I658-M716 HydrophobicContact CD1-CE 3.75Å; I658-M716 HydrophobicContact CD1-CG 3.59Å; I658-M716 HydrophobicContact CD1-SD 3.7Å; I658-A723 PolarHBondContact N-O 2.82Å; I658-K725 HydrophobicContact CD1-CB 3.38Å; I658-K725 HydrophobicContact CD1-CD 4.01Å; I658-K725 HydrophobicContact CD1-CG 3.52Å; I658-K725 HydrophobicContact CG1-CB 3.73Å; I658-K725 HydrophobicContact CG1-CG 4.36Å; I658-K725 VanDerWaalsContact CG1-N 3.34Å
659S77.8Confident80.6Confident103 Ų10355 Ų5572%0.7230%0.299SS*.SBendtrans-79.4-49165.847.60000113.7
660N74.6Confident80.1Confident130 Ų13057.6 Ų57.670%0.69532%0.315SS*.SBendtrans-98.8116.2-169.9-64.9-22.1000112.5I658I658-N660 WeakPolarHBondContact CG2-O 3.33Å
661L67.8Low79.4Confident58 Ų5859.2 Ų59.230%0.30432%0.323SS..  trans-106.9101.9-168.7-73.3155.6000113.1M716 I718 A723L661-M716 HydrophobicContact CD2-CB 4.46Å; L661-M716 HydrophobicContact CD2-SD 3.99Å; L661-I718 HydrophobicContact CD1-CD1 3.75Å; L661-I718 HydrophobicContact CD1-CG1 4.22Å; L661-I718 HydrophobicContact CD2-CD1 4.15Å; L661-I718 HydrophobicContact CD2-CG1 4.04Å; L661-I718 HydrophobicContact CG-CD1 4.42Å; L661-A723 HydrophobicContact CD1-CB 3.57Å; L661-A723 HydrophobicContact CD2-CB 3.5Å; L661-A723 VanDerWaalsContact CD2-CB 3.5Å; L661-A723 HydrophobicContact CG-CB 3.99Å
662K75.4Confident78.6Confident117 Ų11752.2 Ų52.251%0.50930%0.295SS..SBendtrans-83.8-47.1177.7-169.5174.8179.6-178.80112.2S626 E713 M716S626-K662 WeakPolarHBondContact CB-O 3.33Å; K662-E713 IonicContact NZ-OE2 3.09Å; K662-E713 PolarHBondContact NZ-OE2 3.29Å; K662-M716 HydrophobicContact CB-CE 4.19Å
663W79.2Confident77.6Confident40 Ų4057 Ų5715%0.15233%0.332CS..  trans-114.8158.6171.5-57.882000109.2L620 V624 K627 E713 M716L620-W663 HydrophobicContact CD1-CZ2 4.16Å; V624-W663 HydrophobicContact CB-CH2 4.49Å; V624-W663 HydrophobicContact CG1-CH2 3.91Å; V624-W663 HydrophobicContact CG1-CZ3 4.41Å; K627-W663 CarbonylContact O-C 3.55Å; K627-W663 WeakPolarHBondContact O-CA 3.38Å; W663-E713 WeakPolarHBondContact CB-O 3.49Å; W663-E713 VanDerWaalsContact CD1-O 3.27Å; W663-M716 WeakPolarHBondContact O-CB 3.39Å
664S74.1Confident76.9Confident8 Ų860.3 Ų60.36%0.05634%0.341CS..  trans-156149.2157.559.90000113.1K627 H628 F629 M716 I718K627-S664 PolarHBondContact O-N 3.11Å; H628-S664 VanDerWaalsContact CA-OG 3.3Å; H628-S664 WeakPolarHBondContact CA-OG 3.36Å; H628-S664 PolarHBondContact ND1-OG 3.44Å; F629-S664 WeakPolarHBondContact CD2-O 3.35Å; F629-S664 PolarHBondContact N-OG 2.91Å; F629-S664 PolarHBondContact O-OG 3.47Å; S664-M716 VanDerWaalsContact CA-O 3.32Å; S664-M716 WeakPolarHBondContact CA-O 3.3Å; S664-I718 VanDerWaalsContact CB-CG1 3.49Å; S664-I718 WeakPolarHBondContact OG-CD1 3.4Å
665T76.2Confident76Confident13 Ų1361.7 Ų61.78%0.0836%0.355CS..EExtended strand (participates in β ladder)trans-121.3163.1167.2-160.90000112Y683 M716 I718T665-Y683 WeakPolarHBondContact CB-OH 3.31Å; T665-Y683 HydrophobicContact CG2-CE2 4.37Å; T665-Y683 VanDerWaalsContact CG2-OH 3.32Å; T665-Y683 WeakPolarHBondContact CG2-OH 3.4Å; T665-Y683 PolarHBondContact OG1-OH 3.2Å; T665-M716 PolarHBondContact N-O 3.39Å; T665-M716 VanDerWaalsContact N-O 3.14Å; T665-I718 PolarHBondContact O-N 2.88Å
666L73Confident75.4Confident33 Ų3363.1 Ų63.117%0.17337%0.37CS..EExtended strand (participates in β ladder)trans-86.1129.2175.3-60174.1000109.7F629 K630 R632F629-L666 HydrophobicContact CB-CD2 3.99Å; F629-L666 HydrophobicContact CB-CG 4.06Å; K630-L666 WeakPolarHBondContact O-CD2 3.4Å; R632-L666 HydrophobicContact CG-CD2 4.32Å
667I82.2Confident75Confident26 Ų2661.3 Ų61.313%0.13336%0.361CS..EExtended strand (participates in β ladder)trans-69.1147172.258.6160.1000112.1I642 P669 L679 T719I642-I667 HydrophobicContact CG2-CD1 4.2Å; I667-P669 HydrophobicContact CD1-CG 4.45Å; I667-L679 HydrophobicContact CD1-CD2 4.24Å; I667-T719 HydrophobicContact CD1-CG2 3.91Å; I667-T719 HydrophobicContact CG1-CG2 4.46Å; I667-T719 HydrophobicContact CG2-CG2 4.14Å
668V78.1Confident74.8Confident46 Ų4659.9 Ų59.928%0.27934%0.344SS..EExtended strand (participates in β ladder)trans-120.7101.6171.1-178.60000108.3V670 C680 D682V668-V670 HydrophobicContact CG1-CG2 4.31Å; V668-V670 PolarHBondContact O-N 3.34Å; V668-C680 PolarHBondContact N-O 3.1Å; V668-C680 PolarHBondContact O-N 3.23Å; V668-C680 VanDerWaalsContact O-N 3.14Å; V668-D682 HydrophobicContact CG2-CB 3.64Å
669P77Confident74.7Confident43 Ų4359 Ų5928%0.27934%0.339SS..EExtended strand (participates in β ladder)trans-70.2113.5173.6-17.931.8000110.7I638 I642 I667 I677 L679I638-P669 HydrophobicContact CD1-CB 4.45Å; I642-P669 HydrophobicContact CD1-CB 4.01Å; I642-P669 HydrophobicContact CD1-CG 3.56Å; I642-P669 HydrophobicContact CG1-CB 4.14Å; I642-P669 HydrophobicContact CG1-CG 4.1Å; I667-P669 HydrophobicContact CD1-CG 4.45Å; P669-I677 HydrophobicContact CB-CG2 3.92Å; P669-L679 HydrophobicContact CB-CD2 4.25Å; P669-L679 HydrophobicContact CG-CD2 4.29Å
670V76.1Confident74.7Confident65 Ų6555.2 Ų55.239%0.39431%0.313SS..EExtended strand (participates in β ladder)trans-100122.2175.7-178.70000109V668 I677 R678V668-V670 HydrophobicContact CG1-CG2 4.31Å; V668-V670 PolarHBondContact O-N 3.34Å; V670-I677 CarbonylContact O-C 3.48Å; V670-I677 WeakPolarHBondContact O-CA 3.49Å; V670-R678 HydrophobicContact CB-CB 4.5Å; V670-R678 PolarHBondContact N-O 2.91Å; V670-R678 PolarHBondContact O-N 2.92Å
671I73.4Confident74.4Confident92 Ų9249.2 Ų49.247%0.47228%0.282SS..EExtended strand (participates in β ladder)trans-89.7118.6178.3-52.9175.7000109.1I638 I677I638-I671 HydrophobicContact CG2-CD1 4.28Å; I671-I677 HydrophobicContact CG1-CG1 4.39Å
672N70.2Confident74.2Confident45 Ų4551.1 Ų51.124%0.24129%0.292CS..PPolyproline II helixtrans-71.9167.6177.2-65-54.6000112.3N674 G675 A676 R678N672-N674 WeakPolarHBondContact CB-OD1 3.47Å; N672-N674 PolarHBondContact O-N 3.21Å; N672-G675 PolarHBondContact O-N 3.38Å; N672-A676 WeakPolarHBondContact CB-O 3.44Å; N672-A676 PolarHBondContact N-O 3.22Å; N672-A676 PolarHBondContact ND2-O 3.43Å; N672-R678 WeakPolarHBondContact OD1-CD 3.43Å
673S62.8Low73.1Confident137 Ų13749.5 Ų49.596%0.95828%0.283SS*.THydrogen-bonded Turntrans-59.5-31.9175.251.90000113.8G675S673-G675 VanDerWaalsContact C-N 3.26Å; S673-G675 PolarHBondContact O-N 2.88Å
674N66.3Low71.1Confident109 Ų10955.9 Ų55.958%0.58331%0.312SS*.THydrogen-bonded Turntrans-81.83.5174.270.1-12.4000113.9N672 A676N672-N674 WeakPolarHBondContact CB-OD1 3.47Å; N672-N674 PolarHBondContact O-N 3.21Å; N674-A676 VanDerWaalsContact C-N 3.33Å; N674-A676 PolarHBondContact O-N 2.87Å; N674-A676 PolarHBondContact OD1-N 3.08Å
675G66.8Low69.2Low29 Ų2959.3 Ų59.330%0.29934%0.336SS..SBendtrans84.7-9177.500000116.1N672 S673N672-G675 PolarHBondContact O-N 3.38Å; S673-G675 VanDerWaalsContact C-N 3.26Å; S673-G675 PolarHBondContact O-N 2.88Å
676A75.6Confident66.9Low46 Ų4665.4 Ų65.438%0.3837%0.368SS..  trans-70.1147174.700000111.4N672 N674N672-A676 WeakPolarHBondContact CB-O 3.44Å; N672-A676 PolarHBondContact N-O 3.22Å; N672-A676 PolarHBondContact ND2-O 3.43Å; N674-A676 VanDerWaalsContact C-N 3.33Å; N674-A676 PolarHBondContact O-N 2.87Å; N674-A676 PolarHBondContact OD1-N 3.08Å
677I78.7Confident65Low9 Ų970.2 Ų70.25%0.04639%0.393CS..EExtended strand (participates in β ladder)trans-88.5142.4176.5-64.3-169.6000110I638 R641 I642 P669 V670 I671 L679I638-I677 HydrophobicContact CB-CD1 4.3Å; R641-I677 HydrophobicContact CB-CD1 3.55Å; R641-I677 HydrophobicContact CB-CG1 4.12Å; I642-I677 HydrophobicContact CG1-CD1 3.77Å; I642-I677 HydrophobicContact CG1-CG2 4.43Å; P669-I677 HydrophobicContact CB-CG2 3.92Å; V670-I677 CarbonylContact O-C 3.48Å; V670-I677 WeakPolarHBondContact O-CA 3.49Å; I671-I677 HydrophobicContact CG1-CG1 4.39Å; I677-L679 HydrophobicContact CG2-CD2 3.91Å
678R81Confident62.6Low64 Ų6472.2 Ų72.224%0.24241%0.414CS..EExtended strand (participates in β ladder)trans-114.5136.7161.6-82.5171.2-179.2-157.7-2.9108.4V670 N672V670-R678 HydrophobicContact CB-CB 4.5Å; V670-R678 PolarHBondContact N-O 2.91Å; V670-R678 PolarHBondContact O-N 2.92Å; N672-R678 WeakPolarHBondContact OD1-CD 3.43Å
679L82.3Confident60.3Low25 Ų2572.7 Ų72.713%0.13143%0.429CS..EExtended strand (participates in β ladder)trans-97114.8175.4-59.9178.3000109.6I642 E645 I646 L649 I667 P669 I677I642-L679 HydrophobicContact CG2-CD2 4.07Å; E645-L679 HydrophobicContact CG-CD1 4.04Å; E645-L679 HydrophobicContact CG-CG 3.97Å; I646-L679 HydrophobicContact CG1-CD1 3.79Å; L649-L679 HydrophobicContact CD1-CD1 4.12Å; I667-L679 HydrophobicContact CD1-CD2 4.24Å; P669-L679 HydrophobicContact CB-CD2 4.25Å; P669-L679 HydrophobicContact CG-CD2 4.29Å; I677-L679 HydrophobicContact CG2-CD2 3.91Å
680C78.3Confident58.3Low24 Ų2473 Ų7316%0.16244%0.44CS..EExtended strand (participates in β ladder)trans-111.8152.1175.3-58.10000110.4V668 F731V668-C680 PolarHBondContact N-O 3.1Å; V668-C680 PolarHBondContact O-N 3.23Å; V668-C680 VanDerWaalsContact O-N 3.14Å; C680-F731 HydrophobicContact CB-CB 4.05Å
681G68.9Low56.8Low4 Ų478.2 Ų78.24%0.04146%0.46CS..EExtended strand (participates in β ladder)trans-81.3147.6160.200000110.4Y683 F731G681-Y683 VanDerWaalsContact C-N 3.34Å; G681-Y683 PolarHBondContact O-N 2.82Å; G681-F731 PolarHBondContact N-O 3.17Å
682D62.9Low55.8Low99 Ų9974.3 Ų74.353%0.52944%0.44SS..SBendtrans-79.278.7-179.7-160.43.6000112.5V668V668-D682 HydrophobicContact CG2-CB 3.64Å
683Y52.6Low55.6Low82 Ų8276.3 Ų76.332%0.32245%0.447SS..  trans-141.6147.3165.3-12.5-115.2000109.1T665 G681 G732 V733T665-Y683 WeakPolarHBondContact CB-OH 3.31Å; T665-Y683 HydrophobicContact CG2-CE2 4.37Å; T665-Y683 VanDerWaalsContact CG2-OH 3.32Å; T665-Y683 WeakPolarHBondContact CG2-OH 3.4Å; T665-Y683 PolarHBondContact OG1-OH 3.2Å; G681-Y683 VanDerWaalsContact C-N 3.34Å; G681-Y683 PolarHBondContact O-N 2.82Å; Y683-G732 CarbonylContact C-O 3.2Å; Y683-G732 WeakPolarHBondContact CB-O 3.09Å; Y683-G732 CarbonylContact O-C 3.43Å; Y683-G732 WeakPolarHBondContact O-CA 3.44Å; Y683-V733 HydrophobicContact CD2-CG2 4.22Å; Y683-V733 HydrophobicContact CE2-CG2 3.89Å
684K36.3Very low56Low174 Ų17469.9 Ų69.976%0.75740%0.402SS*.  trans-156129.1-151.8-162177.6-170.2174.60115.3
685S34.1Very low56.6Low80 Ų8065.6 Ų65.656%0.55938%0.378SS*.  trans-154.7158.5168.4-56.50000110.8
686N27.9Very low57.3Low141 Ų14164.2 Ų64.275%0.75436%0.364SS*.  trans-124.1158.5-178.6-34.1-62.7000111.5
687L33.5Very low57.7Low134 Ų13462.3 Ų62.370%0.70235%0.347SS*.  trans-170.6170.3146.8-131.775.7000115.1Y757L687-Y757 WeakPolarHBondContact CB-OH 3.49Å; L687-Y757 PolarHBondContact O-OH 3.43Å
688A31.2Very low57.8Low68 Ų6862 Ų6256%0.56235%0.345SS*.  trans-116.7170.9177.100000111.5Y757 L804A688-Y757 PolarHBondContact N-OH 3.38Å; A688-L804 HydrophobicContact CB-CB 4.47Å
689G30.2Very low57.5Low57 Ų5760 Ų6059%0.58834%0.343SS*.  cis175.1163.210.100000111.9
690G34.9Very low57.2Low50 Ų5060.7 Ų60.752%0.51535%0.345SS..  trans-171.1176.6-174.800000116.7
691Q44.8Very low57.3Low174 Ų17459.6 Ų59.681%0.81334%0.338SS*.  trans-113.3142.3177.7-74.9-176.2-11.500112.2R764Q691-R764 WeakPolarHBondContact O-CD 3.43Å
692V53.5Low57.8Low9 Ų960.4 Ų60.46%0.05534%0.34CS..  trans-148.2148.4-156.7-172.60000111.6A694 K695 S762 V801 F803V692-A694 WeakPolarHBondContact CG1-O 3.39Å; V692-K695 HydrophobicContact CG1-CB 4.34Å; V692-S762 WeakPolarHBondContact CG1-OG 3.27Å; V692-S762 WeakPolarHBondContact CG2-OG 3.44Å; V692-V801 HydrophobicContact CB-CB 4.49Å; V692-V801 HydrophobicContact CB-CG1 3.62Å; V692-V801 HydrophobicContact CG1-CG1 4.22Å; V692-V801 HydrophobicContact CG2-CG1 3.74Å; V692-F803 HydrophobicContact CG2-CD2 3.73Å; V692-F803 HydrophobicContact CG2-CE2 4.08Å; V692-F803 HydrophobicContact CG2-CG 4.17Å
693F64.4Low58.9Low88 Ų8856.3 Ų56.339%0.38632%0.318SS..SBendtrans-114.8-26.3175.4-69-98.2000114.2I763 R764 L771 I798F693-I763 PolarHBondContact N-O 3.03Å; F693-R764 HydrophobicContact CD2-CB 4.11Å; F693-R764 HydrophobicContact CD2-CG 4.17Å; F693-L771 HydrophobicContact CB-CD1 4.05Å; F693-I798 WeakPolarHBondContact O-CG1 3.47Å; F693-I798 PolarHBondContact O-N 3.16Å; F693-I798 VanDerWaalsContact O-N 3.09Å
694A72.5Confident60.4Low1 Ų152.4 Ų52.41%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-143.3146.4164.800000109.7V692 I763 L795 F796V692-A694 WeakPolarHBondContact CG1-O 3.39Å; A694-I763 HydrophobicContact CB-CB 4.29Å; A694-I763 PolarHBondContact N-O 3.49Å; A694-I763 PolarHBondContact O-N 3.3Å; A694-L795 CarbonylContact C-O 3.54Å; A694-L795 VanDerWaalsContact CA-O 3.24Å; A694-L795 WeakPolarHBondContact CA-O 3.33Å; A694-L795 WeakPolarHBondContact CB-O 3.46Å; A694-F796 HydrophobicContact CB-CD1 4.21Å
695K78.8Confident62.7Low20 Ų2044.1 Ų44.19%0.08727%0.267CS..EExtended strand (participates in β ladder)trans-128.9120.1-172.7173.6172.6170.1156.70109.5V692 E760 I761 C794 L795 V801 D802 F803V692-K695 HydrophobicContact CG1-CB 4.34Å; K695-E760 WeakPolarHBondContact CE-OE1 3.18Å; K695-E760 VanDerWaalsContact CE-OE2 3.27Å; K695-E760 WeakPolarHBondContact CE-OE2 3.39Å; K695-E760 IonicContact NZ-OE1 3.95Å; K695-E760 PolarHBondContact NZ-OE1 3.42Å; K695-E760 IonicContact NZ-OE2 3.48Å; K695-E760 PolarHBondContact NZ-OE2 2.88Å; K695-I761 WeakPolarHBondContact CA-O 3.16Å; K695-C794 CarbonylContact O-C 3.57Å; K695-C794 VanDerWaalsContact O-CA 3.29Å; K695-C794 WeakPolarHBondContact O-CA 3.2Å; K695-L795 HydrophobicContact CB-CB 4.46Å; K695-L795 PolarHBondContact N-O 3.13Å; K695-L795 PolarHBondContact O-N 2.95Å; K695-V801 HydrophobicContact CB-CG2 4.45Å; K695-V801 HydrophobicContact CD-CG1 4.44Å; K695-V801 HydrophobicContact CD-CG2 3.81Å; K695-D802 PolarHBondContact NZ-O 3.42Å; K695-F803 HydrophobicContact CD-CD2 4.05Å; K695-F803 HydrophobicContact CD-CE2 4.11Å; K695-F803 HydrophobicContact CG-CE2 4.39Å
696I81.9Confident65.1Low0 Ų043 Ų430%025%0.254CS..EExtended strand (participates in β ladder)trans-105.4128.7175.1-60.2177.9000108.4I761 I763 V778 F782 A789 F796I696-I761 HydrophobicContact CB-CB 4.28Å; I696-I761 PolarHBondContact N-O 3.1Å; I696-I761 PolarHBondContact O-N 3.17Å; I696-I763 HydrophobicContact CD1-CD1 3.81Å; I696-I763 HydrophobicContact CG1-CD1 4.41Å; I696-V778 HydrophobicContact CD1-CB 4.34Å; I696-V778 HydrophobicContact CD1-CG1 3.98Å; I696-F782 HydrophobicContact CG2-CE2 4.39Å; I696-A789 HydrophobicContact CG2-CB 3.9Å; I696-F796 HydrophobicContact CG1-CE1 4.26Å
697D82.6Confident67.9Low5 Ų536.6 Ų36.63%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-103.2124.3179.5-172.8105.2000110.1K790 K793D697-K790 PolarHBondContact O-N 3.16Å; D697-K793 HydrophobicContact CB-CB 3.67Å; D697-K793 HydrophobicContact CB-CD 4.01Å; D697-K793 WeakPolarHBondContact OD1-CD 3.34Å; D697-K793 IonicContact OD1-NZ 2.74Å; D697-K793 PolarHBondContact OD1-NZ 3.23Å; D697-K793 WeakPolarHBondContact OD2-CD 3.36Å; D697-K793 IonicContact OD2-NZ 3.71Å; D697-K793 PolarHBondContact OD2-NZ 3.43Å
698M80.6Confident70.4Confident2 Ų230.6 Ų30.61%0.0119%0.19CC..BIsolated β-bridgetrans-75.9130.6-177.6-80.5-76.7-90.800112.7Q700 A701 F740 M744 D759 I761 F782 F787M698-Q700 PolarHBondContact O-N 3.27Å; M698-A701 HydrophobicContact CB-CB 3.79Å; M698-F740 HydrophobicContact CE-CE2 4.48Å; M698-F740 HydrophobicContact CE-CZ 3.8Å; M698-M744 HydrophobicContact CE-SD 4.06Å; M698-D759 HydrophobicContact CB-CB 4.47Å; M698-D759 PolarHBondContact N-O 3.45Å; M698-I761 HydrophobicContact CG-CD1 4.12Å; M698-F782 HydrophobicContact CE-CZ 4.15Å; M698-F782 HydrophobicContact CG-CE2 4.42Å; M698-F782 HydrophobicContact CG-CZ 4.32Å; M698-F782 HydrophobicContact SD-CD2 4.34Å; M698-F782 HydrophobicContact SD-CE1 4.5Å; M698-F782 HydrophobicContact SD-CE2 3.3Å; M698-F782 WeakPolarHBondContact SD-CE2 3.32Å; M698-F782 HydrophobicContact SD-CZ 3.35Å; M698-F782 WeakPolarHBondContact SD-CZ 3.38Å; M698-F787 HydrophobicContact CE-CB 4.08Å; M698-F787 HydrophobicContact CE-CD1 3.63Å; M698-F787 HydrophobicContact CE-CE1 4.1Å; M698-F787 HydrophobicContact CE-CG 3.87Å; M698-F787 HydrophobicContact SD-CB 4.41Å
699A74.7Confident72.9Confident23 Ų2332.6 Ų32.619%0.1919%0.191CC..THydrogen-bonded Turntrans-7498-178.900000111.5A701 Q704 R788A699-A701 PolarHBondContact O-N 2.93Å; A699-Q704 PolarHBondContact O-NE2 2.94Å; A699-R788 HydrophobicContact CB-CB 4.26Å; A699-R788 PolarHBondContact N-O 3.11Å
700Q77.5Confident75.3Confident40 Ų4034 Ų3419%0.18719%0.192CC..THydrogen-bonded Turntrans61.725.9-175.3-48.9-171.717.400114.5L608 R648 M698 Y702 L703 F731L608-Q700 HydrophobicContact CD1-CB 4.43Å; R648-Q700 VanDerWaalsContact NH2-NE2 3.11Å; M698-Q700 PolarHBondContact O-N 3.27Å; Q700-Y702 PolarHBondContact O-N 3.46Å; Q700-L703 HydrophobicContact CB-CB 4.29Å; Q700-L703 HydrophobicContact CB-CD1 4.47Å; Q700-L703 WeakPolarHBondContact O-CB 3.32Å; Q700-L703 PolarHBondContact O-N 2.91Å; Q700-F731 HydrophobicContact CB-CE2 4.46Å
701A79.6Confident77.6Confident1 Ų131.7 Ų31.71%0.00817%0.168CC..G310 helixtrans8.2-83.6175.200000117.3M698 A699 L703 Q704 F740 D759M698-A701 HydrophobicContact CB-CB 3.79Å; A699-A701 PolarHBondContact O-N 2.93Å; A701-L703 VanDerWaalsContact C-N 3.28Å; A701-L703 PolarHBondContact O-N 2.88Å; A701-Q704 VanDerWaalsContact O-CB 3.32Å; A701-Q704 WeakPolarHBondContact O-CB 3.49Å; A701-Q704 WeakPolarHBondContact O-CG 3.18Å; A701-Q704 PolarHBondContact O-N 3.06Å; A701-F740 VanDerWaalsContact C-CE2 3.45Å; A701-F740 HydrophobicContact CB-CE1 4.23Å; A701-F740 HydrophobicContact CB-CE2 4.01Å; A701-F740 HydrophobicContact CB-CZ 3.7Å; A701-F740 WeakPolarHBondContact O-CE2 3.47Å; A701-D759 HydrophobicContact CB-CB 3.58Å
702Y80.5Confident79.5Confident20 Ų2023.5 Ų23.58%0.07813%0.13CC..G310 helixtrans-58.3-35.2-175.8-49.1-82.8000113.6Q700 Q704 L705 L729 F731 A736 L737 F740Q700-Y702 PolarHBondContact O-N 3.46Å; Y702-Q704 PolarHBondContact O-N 3.02Å; Y702-L705 PolarHBondContact O-N 2.91Å; Y702-L729 CarbonylContact C-O 3.42Å; Y702-L729 WeakPolarHBondContact CB-O 3.47Å; Y702-L729 HydrophobicContact CD1-CD2 4.24Å; Y702-L729 WeakPolarHBondContact O-CB 3.24Å; Y702-F731 AromaticContact CD2-CD1 3.46Å; Y702-F731 HydrophobicContact CD2-CD1 3.46Å; Y702-F731 VanDerWaalsContact CD2-CD1 3.46Å; Y702-F731 HydrophobicContact CD2-CD2 4.39Å; Y702-F731 AromaticContact CD2-CE1 3.4Å; Y702-F731 HydrophobicContact CD2-CE1 3.4Å; Y702-F731 VanDerWaalsContact CD2-CE1 3.4Å; Y702-F731 HydrophobicContact CD2-CE2 4.33Å; Y702-F731 AromaticContact CD2-CG 3.97Å; Y702-F731 HydrophobicContact CD2-CG 3.97Å; Y702-F731 AromaticContact CD2-CZ 3.85Å; Y702-F731 HydrophobicContact CD2-CZ 3.85Å; Y702-F731 AromaticContact CE2-CD1 3.73Å; Y702-F731 HydrophobicContact CE2-CD1 3.73Å; Y702-F731 AromaticContact CE2-CE1 3.69Å; Y702-F731 HydrophobicContact CE2-CE1 3.69Å; Y702-A736 HydrophobicContact CD1-CB 4.11Å; Y702-A736 HydrophobicContact CE1-CB 4.38Å; Y702-L737 WeakPolarHBondContact OH-CD2 3.07Å; Y702-F740 HydrophobicContact CD1-CB 3.78Å; Y702-F740 AromaticContact CD1-CD2 3.86Å; Y702-F740 HydrophobicContact CD1-CD2 3.86Å; Y702-F740 AromaticContact CD1-CG 3.9Å; Y702-F740 HydrophobicContact CD1-CG 3.9Å; Y702-F740 HydrophobicContact CE1-CB 3.63Å; Y702-F740 HydrophobicContact CE1-CD1 4.47Å; Y702-F740 HydrophobicContact CE1-CD2 4.3Å; Y702-F740 AromaticContact CE1-CG 3.88Å; Y702-F740 HydrophobicContact CE1-CG 3.88Å; Y702-F740 HydrophobicContact CG-CD2 4.47Å
703L84.9Confident80.9Confident13 Ų1326.1 Ų26.17%0.06814%0.142CC..G310 helixtrans-73.99.9176.6-58.8176.6000113.6L649 V654 Q700 A701 R728 L729 F731L649-L703 HydrophobicContact CD2-CD1 4.29Å; V654-L703 HydrophobicContact CG1-CB 4.47Å; V654-L703 HydrophobicContact CG1-CD1 4.35Å; V654-L703 HydrophobicContact CG1-CD2 3.81Å; V654-L703 HydrophobicContact CG1-CG 4.43Å; Q700-L703 HydrophobicContact CB-CB 4.29Å; Q700-L703 HydrophobicContact CB-CD1 4.47Å; Q700-L703 WeakPolarHBondContact O-CB 3.32Å; Q700-L703 PolarHBondContact O-N 2.91Å; A701-L703 VanDerWaalsContact C-N 3.28Å; A701-L703 PolarHBondContact O-N 2.88Å; L703-R728 HydrophobicContact CD2-CB 4.29Å; L703-R728 WeakPolarHBondContact O-CD 3.46Å; L703-R728 PolarHBondContact O-NH1 2.73Å; L703-L729 WeakPolarHBondContact CD2-O 3.35Å; L703-F731 HydrophobicContact CD1-CD2 4.15Å; L703-F731 HydrophobicContact CD1-CE2 3.89Å; L703-F731 HydrophobicContact CG-CD2 4.06Å; L703-F731 HydrophobicContact CG-CE2 3.83Å
704Q83.7Confident81.7Confident1 Ų122.8 Ų22.81%0.00513%0.13CC..G310 helixtrans-93-20.9165.2-57-17531.100112.2L608 Y611 A699 A701 Y702 F787 R788L608-Q704 HydrophobicContact CD2-CG 4.37Å; Y611-Q704 VanDerWaalsContact CB-O 3.24Å; Y611-Q704 WeakPolarHBondContact CB-O 3.37Å; Y611-Q704 PolarHBondContact N-O 3.12Å; A699-Q704 PolarHBondContact O-NE2 2.94Å; A701-Q704 VanDerWaalsContact O-CB 3.32Å; A701-Q704 WeakPolarHBondContact O-CB 3.49Å; A701-Q704 WeakPolarHBondContact O-CG 3.18Å; A701-Q704 PolarHBondContact O-N 3.06Å; Y702-Q704 PolarHBondContact O-N 3.02Å; Q704-F787 HydrophobicContact CB-CD1 4.22Å; Q704-F787 VanDerWaalsContact OE1-CA 3.25Å; Q704-F787 VanDerWaalsContact OE1-CD1 3.31Å; Q704-R788 PolarHBondContact NE2-O 3.2Å
705L84.6Confident82.4Confident0 Ų022.8 Ų22.80%013%0.13CC..SBendtrans-88.2123.7179.8-58.9-175.1000111.2Y611 V616 Y702 R728 L729 F740 V743 F787Y611-L705 HydrophobicContact CD1-CD2 3.75Å; Y611-L705 HydrophobicContact CE1-CD2 4.06Å; Y611-L705 HydrophobicContact CG-CD2 4.04Å; V616-L705 HydrophobicContact CG2-CB 4.15Å; V616-L705 HydrophobicContact CG2-CD1 4.13Å; Y702-L705 PolarHBondContact O-N 2.91Å; L705-R728 CarbonylContact O-C 3.54Å; L705-R728 WeakPolarHBondContact O-CA 3.45Å; L705-R728 WeakPolarHBondContact O-CB 3.27Å; L705-L729 HydrophobicContact CB-CB 4.23Å; L705-L729 HydrophobicContact CD1-CD2 4.06Å; L705-L729 PolarHBondContact O-N 3.27Å; L705-F740 HydrophobicContact CD1-CD2 3.57Å; L705-F740 HydrophobicContact CD1-CE2 4.18Å; L705-F740 HydrophobicContact CD1-CG 4.46Å; L705-F740 HydrophobicContact CG-CD2 4.11Å; L705-F740 HydrophobicContact CG-CE2 4.26Å; L705-V743 HydrophobicContact CD1-CB 4.44Å; L705-V743 HydrophobicContact CD1-CG2 4.24Å; L705-V743 HydrophobicContact CD2-CG1 3.9Å; L705-F787 HydrophobicContact CD2-CE1 3.88Å; L705-F787 HydrophobicContact CD2-CZ 4.23Å
706I85.9Confident82.7Confident56 Ų5622.2 Ų22.229%0.28713%0.128SC..BIsolated β-bridgetrans-73.2137172.4-56.3175000109.1E615 V616E615-I706 HydrophobicContact CG-CG2 4.4Å; V616-I706 WeakPolarHBondContact CB-O 3.44Å; V616-I706 PolarHBondContact N-O 3.27Å
707V86.6Confident82.6Confident6 Ų622.5 Ų22.54%0.03613%0.13CC..BIsolated β-bridgetrans-110.4139.8173.6-70.20000111.3V616 A712 I726 K727 L729V616-V707 HydrophobicContact CB-CG1 4.04Å; V616-V707 HydrophobicContact CG1-CG1 4Å; V616-V707 WeakPolarHBondContact O-CA 3.43Å; V707-A712 HydrophobicContact CG2-CB 4.06Å; V707-I726 WeakPolarHBondContact CG2-O 3.41Å; V707-K727 VanDerWaalsContact CG2-C 3.42Å; V707-K727 WeakPolarHBondContact CG2-O 3.15Å; V707-K727 PolarHBondContact N-O 3.36Å; V707-L729 HydrophobicContact CG1-CB 3.94Å; V707-L729 HydrophobicContact CG1-CD1 4.09Å
708G85.1Confident82.3Confident8 Ų823.1 Ų23.18%0.08213%0.133CC..  trans-66.2156.8179.100000113E615 V616 S710 S711 A712E615-G708 WeakPolarHBondContact OE2-CA 3.14Å; V616-G708 PolarHBondContact O-N 3.13Å; V616-G708 VanDerWaalsContact O-N 3.13Å; G708-S710 VanDerWaalsContact C-N 3.32Å; G708-S710 PolarHBondContact O-N 2.95Å; G708-S710 VanDerWaalsContact O-N 3.11Å; G708-S711 CarbonylContact O-C 3.52Å; G708-S711 WeakPolarHBondContact O-CA 3.35Å; G708-S711 WeakPolarHBondContact O-CB 3.48Å; G708-S711 PolarHBondContact O-N 3.08Å; G708-A712 PolarHBondContact O-N 3.16Å
709N82.7Confident82.4Confident110 Ų11023.5 Ų23.559%0.58814%0.135SC*.Hα-helixtrans-51.4-42.1-167.9-89.8-51.8000115S711 A712 E713 K725N709-S711 VanDerWaalsContact C-N 3.31Å; N709-S711 PolarHBondContact O-N 3.03Å; N709-A712 PolarHBondContact O-N 2.79Å; N709-E713 PolarHBondContact O-N 2.94Å; N709-K725 PolarHBondContact OD1-NZ 3.45Å
710S81.3Confident82.6Confident86 Ų8624.3 Ų24.360%0.60114%0.135SC*.Hα-helixtrans-65-32.9176.856.50000113.4G708 A714G708-S710 VanDerWaalsContact C-N 3.32Å; G708-S710 PolarHBondContact O-N 2.95Å; G708-S710 VanDerWaalsContact O-N 3.11Å; S710-A714 PolarHBondContact O-N 3.35Å
711S84.4Confident82.7Confident3 Ų326.6 Ų26.62%0.02115%0.146CC..Hα-helixtrans-81.4-29.5176.9-60.50000112L618 G708 N709 A714 Q715L618-S711 PolarHBondContact N-OG 3.31Å; G708-S711 CarbonylContact O-C 3.52Å; G708-S711 WeakPolarHBondContact O-CA 3.35Å; G708-S711 WeakPolarHBondContact O-CB 3.48Å; G708-S711 PolarHBondContact O-N 3.08Å; N709-S711 VanDerWaalsContact C-N 3.31Å; N709-S711 PolarHBondContact O-N 3.03Å; S711-A714 PolarHBondContact O-N 2.61Å; S711-Q715 WeakPolarHBondContact O-CG 3.4Å; S711-Q715 PolarHBondContact O-N 2.93Å; S711-Q715 PolarHBondContact O-NE2 2.97Å
712A83.7Confident82.8Confident1 Ų128.2 Ų28.21%0.00816%0.162CC..Hα-helixtrans-67.9-39168.800000111.5V707 G708 N709 A714 Q715 M716 K725 I726V707-A712 HydrophobicContact CG2-CB 4.06Å; G708-A712 PolarHBondContact O-N 3.16Å; N709-A712 PolarHBondContact O-N 2.79Å; A712-A714 VanDerWaalsContact C-N 3.33Å; A712-A714 PolarHBondContact O-N 3.05Å; A712-Q715 PolarHBondContact O-N 2.66Å; A712-M716 PolarHBondContact O-N 3Å; A712-K725 HydrophobicContact CB-CD 4.38Å; A712-K725 VanDerWaalsContact CB-CE 3.5Å; A712-K725 HydrophobicContact CB-CG 4.18Å; A712-K725 WeakPolarHBondContact O-CG 3.35Å; A712-I726 WeakPolarHBondContact CA-O 3.43Å; A712-I726 VanDerWaalsContact CB-O 3.22Å; A712-I726 WeakPolarHBondContact CB-O 3.5Å
713E82.7Confident82.9Confident65 Ų6527.8 Ų27.830%0.30416%0.163SC..Hα-helixtrans-60.6-39.6170.4-78.6-174.9-159.800112.5K662 W663 N709 Q715 M716 K725K662-E713 IonicContact NZ-OE2 3.09Å; K662-E713 PolarHBondContact NZ-OE2 3.29Å; W663-E713 WeakPolarHBondContact CB-O 3.49Å; W663-E713 VanDerWaalsContact CD1-O 3.27Å; N709-E713 PolarHBondContact O-N 2.94Å; E713-Q715 PolarHBondContact O-N 3.37Å; E713-M716 HydrophobicContact CB-CE 3.83Å; E713-M716 HydrophobicContact CG-CE 3.72Å; E713-M716 VanDerWaalsContact O-CG 3.22Å; E713-M716 WeakPolarHBondContact O-CG 3.49Å; E713-M716 PolarHBondContact O-N 3.46Å; E713-K725 HydrophobicContact CG-CD 4.38Å
714A81.7Confident83Confident17 Ų1727.7 Ų27.714%0.1416%0.162CC..Hα-helixtrans-69.4-20.2177.900000113.8L620 S710 S711 A712L620-A714 HydrophobicContact CD1-CB 4.1Å; S710-A714 PolarHBondContact O-N 3.35Å; S711-A714 PolarHBondContact O-N 2.61Å; A712-A714 VanDerWaalsContact C-N 3.33Å; A712-A714 PolarHBondContact O-N 3.05Å
715Q87.1Confident83.1Confident2 Ų229 Ų291%0.00917%0.168CC..THydrogen-bonded Turntrans-102.411.7-178.9-72.6172.799.900113.6L618 S711 A712 E713 S717 I726 Q730 V733L618-Q715 HydrophobicContact CD1-CG 3.76Å; S711-Q715 WeakPolarHBondContact O-CG 3.4Å; S711-Q715 PolarHBondContact O-N 2.93Å; S711-Q715 PolarHBondContact O-NE2 2.97Å; A712-Q715 PolarHBondContact O-N 2.66Å; E713-Q715 PolarHBondContact O-N 3.37Å; Q715-S717 PolarHBondContact O-N 3.49Å; Q715-I726 HydrophobicContact CB-CB 4.36Å; Q715-I726 WeakPolarHBondContact O-CG1 3.38Å; Q715-Q730 PolarHBondContact O-OE1 3.45Å; Q715-V733 HydrophobicContact CG-CG2 4.2Å
716M84.3Confident83.2Confident7 Ų729 Ų293%0.03417%0.168CC..  trans-48.2134.1173.5-75179.8-15900111.5I658 L661 K662 W663 S664 T665 A712 E713 F724 K725I658-M716 HydrophobicContact CD1-CE 3.75Å; I658-M716 HydrophobicContact CD1-CG 3.59Å; I658-M716 HydrophobicContact CD1-SD 3.7Å; L661-M716 HydrophobicContact CD2-CB 4.46Å; L661-M716 HydrophobicContact CD2-SD 3.99Å; K662-M716 HydrophobicContact CB-CE 4.19Å; W663-M716 WeakPolarHBondContact O-CB 3.39Å; S664-M716 VanDerWaalsContact CA-O 3.32Å; S664-M716 WeakPolarHBondContact CA-O 3.3Å; T665-M716 PolarHBondContact N-O 3.39Å; T665-M716 VanDerWaalsContact N-O 3.14Å; A712-M716 PolarHBondContact O-N 3Å; E713-M716 HydrophobicContact CB-CE 3.83Å; E713-M716 HydrophobicContact CG-CE 3.72Å; E713-M716 VanDerWaalsContact O-CG 3.22Å; E713-M716 WeakPolarHBondContact O-CG 3.49Å; E713-M716 PolarHBondContact O-N 3.46Å; M716-F724 WeakPolarHBondContact CA-O 3.28Å; M716-K725 HydrophobicContact CG-CG 4.28Å
717S80.3Confident83.2Confident6 Ų630.5 Ų30.54%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-125.5142.9177.574.70000110.7Q715 A723 F724Q715-S717 PolarHBondContact O-N 3.49Å; S717-A723 WeakPolarHBondContact O-CA 3.02Å; S717-F724 PolarHBondContact N-O 3.43Å; S717-F724 PolarHBondContact O-N 3.3Å
718I77.4Confident83.3Confident19 Ų1931 Ų3110%0.09717%0.174CC..EExtended strand (participates in β ladder)trans-115.4127.6178.9-51.8174.9000108.8H628 A631 L661 S664 T665 A723H628-I718 WeakPolarHBondContact CE1-CD1 3.47Å; A631-I718 HydrophobicContact CB-CB 4.28Å; A631-I718 HydrophobicContact CB-CG2 3.7Å; L661-I718 HydrophobicContact CD1-CD1 3.75Å; L661-I718 HydrophobicContact CD1-CG1 4.22Å; L661-I718 HydrophobicContact CD2-CD1 4.15Å; L661-I718 HydrophobicContact CD2-CG1 4.04Å; L661-I718 HydrophobicContact CG-CD1 4.42Å; S664-I718 VanDerWaalsContact CB-CG1 3.49Å; S664-I718 WeakPolarHBondContact OG-CD1 3.4Å; T665-I718 PolarHBondContact O-N 2.88Å; I718-A723 HydrophobicContact CB-CB 4.4Å; I718-A723 HydrophobicContact CG1-CB 3.85Å; I718-A723 HydrophobicContact CG2-CB 4.2Å
719T82Confident83.3Confident9 Ų930.6 Ų30.66%0.05517%0.17CC..EExtended strand (participates in β ladder)trans-114.5173.8178.577.20000109.5A631 I646 I667 H721 G722 F724A631-T719 WeakPolarHBondContact CB-O 3.32Å; I646-T719 HydrophobicContact CD1-CG2 3.89Å; I667-T719 HydrophobicContact CD1-CG2 3.91Å; I667-T719 HydrophobicContact CG1-CG2 4.46Å; I667-T719 HydrophobicContact CG2-CG2 4.14Å; T719-H721 PolarHBondContact O-N 3.26Å; T719-H721 WeakPolarHBondContact OG1-CA 3.39Å; T719-H721 PolarHBondContact OG1-N 3Å; T719-G722 PolarHBondContact N-O 3.03Å; T719-G722 PolarHBondContact O-N 3.29Å; T719-G722 PolarHBondContact OG1-N 3.39Å; T719-G722 PolarHBondContact OG1-O 3.16Å; T719-F724 HydrophobicContact CG2-CD2 4.23Å; T719-F724 HydrophobicContact CG2-CE2 4.31Å
720H78.1Confident83.2Confident40 Ų4026 Ų2619%0.18515%0.145CC..THydrogen-bonded Turntrans-69.9-8.9169.161-91.4000113A634 R639 E643A634-H720 WeakPolarHBondContact CB-ND1 3.38Å; R639-H720 WeakPolarHBondContact CG-NE2 3.46Å; R639-H720 PolarHBondContact NE-CD2 3.38Å; E643-H720 WeakPolarHBondContact CG-NE2 3.21Å; E643-H720 IonicContact OE1-CD2 3.75Å; E643-H720 PolarHBondContact OE1-CD2 2.94Å; E643-H720 IonicContact OE1-NE2 2.71Å; E643-H720 PolarHBondContact OE1-NE2 2.83Å
721H79.8Confident83.1Confident88 Ų8823.2 Ų23.241%0.40712%0.122SC..THydrogen-bonded Turntrans-10214.5177.5-153.494.2000111.9E643 I646 T719E643-H721 IonicContact OE1-ND1 3.54Å; I646-H721 HydrophobicContact CD1-CB 4.06Å; T719-H721 PolarHBondContact O-N 3.26Å; T719-H721 WeakPolarHBondContact OG1-CA 3.39Å; T719-H721 PolarHBondContact OG1-N 3Å
722G81.3Confident82.6Confident35 Ų3524.4 Ų24.436%0.36113%0.134SC..EExtended strand (participates in β ladder)trans104-171.1-176.400000113.3T719 F724T719-G722 PolarHBondContact N-O 3.03Å; T719-G722 PolarHBondContact O-N 3.29Å; T719-G722 PolarHBondContact OG1-N 3.39Å; T719-G722 PolarHBondContact OG1-O 3.16Å; G722-F724 WeakPolarHBondContact O-CE2 3.46Å
723A84.2Confident82.3Confident12 Ų1225 Ų2510%0.09914%0.138CC..EExtended strand (participates in β ladder)trans-117.8142.3-169.900000112.6P657 I658 L661 S717 I718P657-A723 WeakPolarHBondContact CA-O 3.44Å; I658-A723 PolarHBondContact N-O 2.82Å; L661-A723 HydrophobicContact CD1-CB 3.57Å; L661-A723 HydrophobicContact CD2-CB 3.5Å; L661-A723 VanDerWaalsContact CD2-CB 3.5Å; L661-A723 HydrophobicContact CG-CB 3.99Å; S717-A723 WeakPolarHBondContact O-CA 3.02Å; I718-A723 HydrophobicContact CB-CB 4.4Å; I718-A723 HydrophobicContact CG1-CB 3.85Å; I718-A723 HydrophobicContact CG2-CB 4.2Å
724F85.7Confident81.8Confident10 Ų1025.8 Ų25.84%0.04415%0.151CC..EExtended strand (participates in β ladder)trans-137.3135.4-167.8-56.9-84.4000112.7I646 L650 I655 E656 P657 M716 S717 T719 G722 I726I646-F724 HydrophobicContact CG2-CE1 4.4Å; I646-F724 HydrophobicContact CG2-CE2 4.03Å; I646-F724 HydrophobicContact CG2-CZ 3.8Å; L650-F724 HydrophobicContact CD1-CE1 4.04Å; L650-F724 HydrophobicContact CD2-CD1 4.07Å; L650-F724 HydrophobicContact CD2-CE1 3.93Å; L650-F724 HydrophobicContact CG-CE1 4.34Å; I655-F724 HydrophobicContact CB-CB 4.22Å; I655-F724 HydrophobicContact CD1-CB 4.42Å; I655-F724 HydrophobicContact CD1-CD1 4.16Å; I655-F724 HydrophobicContact CD1-CG 4.12Å; I655-F724 HydrophobicContact CG1-CD1 4.34Å; E656-F724 CarbonylContact O-C 3.58Å; E656-F724 WeakPolarHBondContact O-CA 3.49Å; E656-F724 WeakPolarHBondContact O-CB 3.39Å; P657-F724 HydrophobicContact CB-CD1 4.14Å; P657-F724 HydrophobicContact CB-CE1 4.08Å; M716-F724 WeakPolarHBondContact CA-O 3.28Å; S717-F724 PolarHBondContact N-O 3.43Å; S717-F724 PolarHBondContact O-N 3.3Å; T719-F724 HydrophobicContact CG2-CD2 4.23Å; T719-F724 HydrophobicContact CG2-CE2 4.31Å; G722-F724 WeakPolarHBondContact O-CE2 3.46Å; F724-I726 HydrophobicContact CB-CD1 4.15Å
725K86.5Confident81.6Confident28 Ų2827.1 Ų27.112%0.12216%0.155CC..EExtended strand (participates in β ladder)trans-78.7144.4164.5-133.7173.696.6-1500107.4I655 E656 I658 N709 A712 E713 M716I655-K725 CarbonylContact C-O 3.49Å; I655-K725 VanDerWaalsContact CA-O 3.3Å; I655-K725 WeakPolarHBondContact CA-O 3.48Å; E656-K725 HydrophobicContact CG-CB 3.49Å; E656-K725 VanDerWaalsContact CG-CB 3.49Å; E656-K725 PolarHBondContact N-O 3.01Å; E656-K725 PolarHBondContact O-N 2.79Å; E656-K725 WeakPolarHBondContact OE1-CB 3.49Å; E656-K725 WeakPolarHBondContact OE1-CD 3.02Å; E656-K725 WeakPolarHBondContact OE1-CE 3.39Å; E656-K725 IonicContact OE1-NZ 2.68Å; E656-K725 PolarHBondContact OE1-NZ 3.49Å; I658-K725 HydrophobicContact CD1-CB 3.38Å; I658-K725 HydrophobicContact CD1-CD 4.01Å; I658-K725 HydrophobicContact CD1-CG 3.52Å; I658-K725 HydrophobicContact CG1-CB 3.73Å; I658-K725 HydrophobicContact CG1-CG 4.36Å; I658-K725 VanDerWaalsContact CG1-N 3.34Å; N709-K725 PolarHBondContact OD1-NZ 3.45Å; A712-K725 HydrophobicContact CB-CD 4.38Å; A712-K725 VanDerWaalsContact CB-CE 3.5Å; A712-K725 HydrophobicContact CB-CG 4.18Å; A712-K725 WeakPolarHBondContact O-CG 3.35Å; E713-K725 HydrophobicContact CG-CD 4.38Å; M716-K725 HydrophobicContact CG-CG 4.28Å
726I87.4Confident81.1Confident2 Ų227.1 Ų27.11%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-116.7110.1-174.3-41.3-66.9000107.3I655 V707 A712 Q715 F724 R728 Q730I655-I726 HydrophobicContact CB-CD1 3.92Å; I655-I726 HydrophobicContact CG2-CD1 3.37Å; I655-I726 HydrophobicContact CG2-CG2 4.08Å; V707-I726 WeakPolarHBondContact CG2-O 3.41Å; A712-I726 WeakPolarHBondContact CA-O 3.43Å; A712-I726 VanDerWaalsContact CB-O 3.22Å; A712-I726 WeakPolarHBondContact CB-O 3.5Å; Q715-I726 HydrophobicContact CB-CB 4.36Å; Q715-I726 WeakPolarHBondContact O-CG1 3.38Å; F724-I726 HydrophobicContact CB-CD1 4.15Å; I726-R728 WeakPolarHBondContact CG2-O 3.17Å; I726-R728 PolarHBondContact O-N 2.85Å; I726-Q730 HydrophobicContact CB-CG 4.03Å; I726-Q730 HydrophobicContact CG1-CG 4.17Å; I726-Q730 HydrophobicContact CG2-CG 3.47Å; I726-Q730 VanDerWaalsContact CG2-CG 3.47Å
727K86Confident80.7Confident87 Ų8728.8 Ų28.838%0.37816%0.164SC..SBendtrans-79-7.6-173.9-65-172.2179.7178.60113.1V654 E656 V707V654-K727 PolarHBondContact O-N 2.97Å; E656-K727 WeakPolarHBondContact OE1-CE 3.39Å; E656-K727 WeakPolarHBondContact OE2-CE 3.44Å; E656-K727 IonicContact OE2-NZ 3.76Å; E656-K727 PolarHBondContact OE2-NZ 2.94Å; V707-K727 VanDerWaalsContact CG2-C 3.42Å; V707-K727 WeakPolarHBondContact CG2-O 3.15Å; V707-K727 PolarHBondContact N-O 3.36Å
728R87.6Confident80.4Confident16 Ų1635.5 Ų35.56%0.0619%0.188CC..BIsolated β-bridgetrans-127.9157.8-176.7-47.2-167.1-168.3-172-0.8110.6L608 E652 V654 L703 L705 I726 Q730L608-R728 PolarHBondContact O-NH2 3.39Å; E652-R728 PolarHBondContact O-NH2 3.21Å; V654-R728 HydrophobicContact CG1-CB 4.22Å; V654-R728 HydrophobicContact CG1-CG 4.19Å; L703-R728 HydrophobicContact CD2-CB 4.29Å; L703-R728 WeakPolarHBondContact O-CD 3.46Å; L703-R728 PolarHBondContact O-NH1 2.73Å; L705-R728 CarbonylContact O-C 3.54Å; L705-R728 WeakPolarHBondContact O-CA 3.45Å; L705-R728 WeakPolarHBondContact O-CB 3.27Å; I726-R728 WeakPolarHBondContact CG2-O 3.17Å; I726-R728 PolarHBondContact O-N 2.85Å; R728-Q730 PolarHBondContact O-N 3.35Å
729L86Confident80.5Confident0 Ų035.3 Ų35.30%019%0.187CC..PPolyproline II helixtrans-67.5118.3-173.3-174.963.9000111.6L618 Y702 L703 L705 V707 A736 I739L618-L729 HydrophobicContact CD2-CD1 3.98Å; Y702-L729 CarbonylContact C-O 3.42Å; Y702-L729 WeakPolarHBondContact CB-O 3.47Å; Y702-L729 HydrophobicContact CD1-CD2 4.24Å; Y702-L729 WeakPolarHBondContact O-CB 3.24Å; L703-L729 WeakPolarHBondContact CD2-O 3.35Å; L705-L729 HydrophobicContact CB-CB 4.23Å; L705-L729 HydrophobicContact CD1-CD2 4.06Å; L705-L729 PolarHBondContact O-N 3.27Å; V707-L729 HydrophobicContact CG1-CB 3.94Å; V707-L729 HydrophobicContact CG1-CD1 4.09Å; L729-A736 HydrophobicContact CD1-CB 3.86Å; L729-A736 HydrophobicContact CD2-CB 3.71Å; L729-A736 HydrophobicContact CG-CB 3.75Å; L729-I739 HydrophobicContact CD2-CG2 4.28Å
730Q80.3Confident80.5Confident14 Ų1434.9 Ų34.97%0.06519%0.185CC..PPolyproline II helixtrans-74.2143.3-176.1-77.9-158.6-43.400113.8Q715 I726 R728 G732 V733Q715-Q730 PolarHBondContact O-OE1 3.45Å; I726-Q730 HydrophobicContact CB-CG 4.03Å; I726-Q730 HydrophobicContact CG1-CG 4.17Å; I726-Q730 HydrophobicContact CG2-CG 3.47Å; I726-Q730 VanDerWaalsContact CG2-CG 3.47Å; R728-Q730 PolarHBondContact O-N 3.35Å; Q730-G732 PolarHBondContact O-N 3.25Å; Q730-V733 HydrophobicContact CB-CG2 4.09Å
731F78.3Confident80.4Confident27 Ų2734.5 Ų34.512%0.11818%0.183CC..THydrogen-bonded Turntrans-56.7130.6164.4-74.7-93000110.8C680 G681 Q700 Y702 L703C680-F731 HydrophobicContact CB-CB 4.05Å; G681-F731 PolarHBondContact N-O 3.17Å; Q700-F731 HydrophobicContact CB-CE2 4.46Å; Y702-F731 AromaticContact CD2-CD1 3.46Å; Y702-F731 HydrophobicContact CD2-CD1 3.46Å; Y702-F731 VanDerWaalsContact CD2-CD1 3.46Å; Y702-F731 HydrophobicContact CD2-CD2 4.39Å; Y702-F731 AromaticContact CD2-CE1 3.4Å; Y702-F731 HydrophobicContact CD2-CE1 3.4Å; Y702-F731 VanDerWaalsContact CD2-CE1 3.4Å; Y702-F731 HydrophobicContact CD2-CE2 4.33Å; Y702-F731 AromaticContact CD2-CG 3.97Å; Y702-F731 HydrophobicContact CD2-CG 3.97Å; Y702-F731 AromaticContact CD2-CZ 3.85Å; Y702-F731 HydrophobicContact CD2-CZ 3.85Å; Y702-F731 AromaticContact CE2-CD1 3.73Å; Y702-F731 HydrophobicContact CE2-CD1 3.73Å; Y702-F731 AromaticContact CE2-CE1 3.69Å; Y702-F731 HydrophobicContact CE2-CE1 3.69Å; L703-F731 HydrophobicContact CD1-CD2 4.15Å; L703-F731 HydrophobicContact CD1-CE2 3.89Å; L703-F731 HydrophobicContact CG-CD2 4.06Å; L703-F731 HydrophobicContact CG-CE2 3.83Å
732G75.2Confident80.4Confident27 Ų2735.3 Ų35.328%0.27819%0.187SC..THydrogen-bonded Turntrans108.8-40.1174.800000113.4Y683 Q730 S734Y683-G732 CarbonylContact C-O 3.2Å; Y683-G732 WeakPolarHBondContact CB-O 3.09Å; Y683-G732 CarbonylContact O-C 3.43Å; Y683-G732 WeakPolarHBondContact O-CA 3.44Å; Q730-G732 PolarHBondContact O-N 3.25Å; G732-S734 PolarHBondContact O-N 3.4Å; G732-S734 VanDerWaalsContact O-N 3.16Å
733V75.7Confident80.4Confident13 Ų1334.5 Ų34.58%0.07918%0.175CC..  trans-43.6121.9-175.4170.80000110.7L618 Y683 Q715 Q730 I735 A736L618-V733 HydrophobicContact CD1-CG1 4.28Å; L618-V733 HydrophobicContact CD2-CG1 4.01Å; Y683-V733 HydrophobicContact CD2-CG2 4.22Å; Y683-V733 HydrophobicContact CE2-CG2 3.89Å; Q715-V733 HydrophobicContact CG-CG2 4.2Å; Q730-V733 HydrophobicContact CB-CG2 4.09Å; V733-I735 HydrophobicContact CG1-CG2 3.97Å; V733-I735 PolarHBondContact O-N 2.96Å; V733-A736 HydrophobicContact CB-CB 3.91Å; V733-A736 HydrophobicContact CG1-CB 4.24Å; V733-A736 WeakPolarHBondContact O-CB 3.41Å; V733-A736 PolarHBondContact O-N 3.25Å
734S73.1Confident80.3Confident83 Ų8333.9 Ų33.958%0.5817%0.17SC*.THydrogen-bonded Turntrans-59-30.9-162.254.50000114.6G732G732-S734 PolarHBondContact O-N 3.4Å; G732-S734 VanDerWaalsContact O-N 3.16Å
735I77.8Confident79.9Confident45 Ų4537 Ų3723%0.23119%0.187CC..THydrogen-bonded Turntrans-90.5-11.3177.8-167.9161.7000113.5L618 P619 V733 L737 R738 I739L618-I735 HydrophobicContact CD2-CG2 3.52Å; P619-I735 HydrophobicContact CG-CD1 3.95Å; V733-I735 HydrophobicContact CG1-CG2 3.97Å; V733-I735 PolarHBondContact O-N 2.96Å; I735-L737 VanDerWaalsContact C-N 3.33Å; I735-L737 PolarHBondContact O-N 2.9Å; I735-R738 PolarHBondContact O-N 3.38Å; I735-R738 VanDerWaalsContact O-N 3.1Å; I735-I739 HydrophobicContact CG1-CD1 4.02Å; I735-I739 HydrophobicContact CG1-CG1 4.19Å; I735-I739 HydrophobicContact CG2-CD1 4.04Å; I735-I739 PolarHBondContact O-N 2.92Å
736A76.8Confident79.4Confident2 Ų243 Ų432%0.01722%0.216CC..Hα-helixtrans-62.8-37-17700000112.9Y702 L729 V733 R738 I739 F740Y702-A736 HydrophobicContact CD1-CB 4.11Å; Y702-A736 HydrophobicContact CE1-CB 4.38Å; L729-A736 HydrophobicContact CD1-CB 3.86Å; L729-A736 HydrophobicContact CD2-CB 3.71Å; L729-A736 HydrophobicContact CG-CB 3.75Å; V733-A736 HydrophobicContact CB-CB 3.91Å; V733-A736 HydrophobicContact CG1-CB 4.24Å; V733-A736 WeakPolarHBondContact O-CB 3.41Å; V733-A736 PolarHBondContact O-N 3.25Å; A736-R738 VanDerWaalsContact C-N 3.31Å; A736-R738 PolarHBondContact O-N 2.84Å; A736-I739 PolarHBondContact O-N 2.94Å; A736-F740 WeakPolarHBondContact O-CB 3.3Å; A736-F740 PolarHBondContact O-N 2.72Å
737L75.6Confident79Confident41 Ų4143.3 Ų43.322%0.21522%0.219CC..Hα-helixtrans-54.1-46.9172.3-77.4157.2000111.6Y702 I735 Q741 F758Y702-L737 WeakPolarHBondContact OH-CD2 3.07Å; I735-L737 VanDerWaalsContact C-N 3.33Å; I735-L737 PolarHBondContact O-N 2.9Å; L737-Q741 WeakPolarHBondContact O-CB 3.4Å; L737-Q741 PolarHBondContact O-N 2.9Å; L737-F758 HydrophobicContact CB-CD1 4.2Å; L737-F758 HydrophobicContact CB-CE1 3.75Å; L737-F758 HydrophobicContact CB-CZ 4.27Å; L737-F758 HydrophobicContact CD2-CB 4.39Å; L737-F758 HydrophobicContact CD2-CD1 3.5Å; L737-F758 HydrophobicContact CD2-CD2 3.76Å; L737-F758 HydrophobicContact CD2-CE1 3.59Å; L737-F758 HydrophobicContact CD2-CE2 3.82Å; L737-F758 HydrophobicContact CD2-CG 3.61Å; L737-F758 HydrophobicContact CD2-CZ 3.75Å; L737-F758 HydrophobicContact CG-CD1 4.48Å; L737-F758 HydrophobicContact CG-CE1 4.29Å
738R73.8Confident78.9Confident147 Ų14739.5 Ų39.556%0.55520%0.202SC*.Hα-helixtrans-68.5-46.2-179.7-170.2-175.875.5159.35.1111.5I735 A736 Q741 Q742I735-R738 PolarHBondContact O-N 3.38Å; I735-R738 VanDerWaalsContact O-N 3.1Å; A736-R738 VanDerWaalsContact C-N 3.31Å; A736-R738 PolarHBondContact O-N 2.84Å; R738-Q741 PolarHBondContact O-N 2.72Å; R738-Q742 WeakPolarHBondContact O-CG 3.47Å; R738-Q742 PolarHBondContact O-N 2.92Å
739I78.6Confident78.2Confident15 Ų1545.4 Ų45.48%0.07724%0.235CC..Hα-helixtrans-62.1-47179.3-69.7167000110.7V616 L618 L729 I735 A736 Q741 Q742 V743V616-I739 HydrophobicContact CB-CG2 4.43Å; V616-I739 HydrophobicContact CG1-CD1 4.14Å; V616-I739 HydrophobicContact CG1-CG2 3.57Å; V616-I739 HydrophobicContact CG2-CG2 3.96Å; L618-I739 HydrophobicContact CD2-CD1 3.65Å; L729-I739 HydrophobicContact CD2-CG2 4.28Å; I735-I739 HydrophobicContact CG1-CD1 4.02Å; I735-I739 HydrophobicContact CG1-CG1 4.19Å; I735-I739 HydrophobicContact CG2-CD1 4.04Å; I735-I739 PolarHBondContact O-N 2.92Å; A736-I739 PolarHBondContact O-N 2.94Å; I739-Q741 VanDerWaalsContact C-N 3.32Å; I739-Q741 PolarHBondContact O-N 3.4Å; I739-Q742 PolarHBondContact O-N 3.5Å; I739-V743 HydrophobicContact CG2-CG2 4.5Å; I739-V743 WeakPolarHBondContact O-CG2 3.33Å; I739-V743 PolarHBondContact O-N 3.38Å
740F82.3Confident77.6Confident0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-61.7-42.9178.8-166.5-90.1000110.9M698 A701 Y702 L705 A736 Q742 V743 M744 F758M698-F740 HydrophobicContact CE-CE2 4.48Å; M698-F740 HydrophobicContact CE-CZ 3.8Å; A701-F740 VanDerWaalsContact C-CE2 3.45Å; A701-F740 HydrophobicContact CB-CE1 4.23Å; A701-F740 HydrophobicContact CB-CE2 4.01Å; A701-F740 HydrophobicContact CB-CZ 3.7Å; A701-F740 WeakPolarHBondContact O-CE2 3.47Å; Y702-F740 HydrophobicContact CD1-CB 3.78Å; Y702-F740 AromaticContact CD1-CD2 3.86Å; Y702-F740 HydrophobicContact CD1-CD2 3.86Å; Y702-F740 AromaticContact CD1-CG 3.9Å; Y702-F740 HydrophobicContact CD1-CG 3.9Å; Y702-F740 HydrophobicContact CE1-CB 3.63Å; Y702-F740 HydrophobicContact CE1-CD1 4.47Å; Y702-F740 HydrophobicContact CE1-CD2 4.3Å; Y702-F740 AromaticContact CE1-CG 3.88Å; Y702-F740 HydrophobicContact CE1-CG 3.88Å; Y702-F740 HydrophobicContact CG-CD2 4.47Å; L705-F740 HydrophobicContact CD1-CD2 3.57Å; L705-F740 HydrophobicContact CD1-CE2 4.18Å; L705-F740 HydrophobicContact CD1-CG 4.46Å; L705-F740 HydrophobicContact CG-CD2 4.11Å; L705-F740 HydrophobicContact CG-CE2 4.26Å; A736-F740 WeakPolarHBondContact O-CB 3.3Å; A736-F740 PolarHBondContact O-N 2.72Å; F740-Q742 PolarHBondContact O-N 2.82Å; F740-V743 PolarHBondContact O-N 2.96Å; F740-M744 HydrophobicContact CD1-CG 3.69Å; F740-M744 HydrophobicContact CE1-CG 3.33Å; F740-M744 HydrophobicContact CE1-SD 3.94Å; F740-M744 HydrophobicContact CG-CG 4.46Å; F740-M744 HydrophobicContact CZ-CG 3.83Å; F740-M744 HydrophobicContact CZ-SD 3.87Å; F740-M744 WeakPolarHBondContact O-CB 3.45Å; F740-M744 WeakPolarHBondContact O-CG 3.43Å; F740-M744 PolarHBondContact O-N 2.9Å; F740-F758 VanDerWaalsContact CE1-O 3.28Å; F740-F758 WeakPolarHBondContact CE1-O 3.37Å
741Q77.3Confident77.4Confident33 Ų3349.2 Ų49.215%0.15426%0.263CS..Hα-helixtrans-59.7-45.4173.8-169.864.643.400111.8L737 R738 I739 V743 M744 D745 P756 F758L737-Q741 WeakPolarHBondContact O-CB 3.4Å; L737-Q741 PolarHBondContact O-N 2.9Å; R738-Q741 PolarHBondContact O-N 2.72Å; I739-Q741 VanDerWaalsContact C-N 3.32Å; I739-Q741 PolarHBondContact O-N 3.4Å; Q741-V743 PolarHBondContact O-N 3.22Å; Q741-M744 PolarHBondContact O-N 3.27Å; Q741-D745 PolarHBondContact NE2-OD1 3.1Å; Q741-D745 VanDerWaalsContact O-CB 3.3Å; Q741-D745 WeakPolarHBondContact O-CB 3.27Å; Q741-D745 PolarHBondContact O-N 2.96Å; Q741-P756 PolarHBondContact NE2-O 3.18Å; Q741-F758 HydrophobicContact CB-CD1 4.49Å; Q741-F758 HydrophobicContact CB-CE1 4.42Å
742Q78Confident77Confident105 Ų10551.8 Ų51.849%0.49128%0.283SS..Hα-helixtrans-59.4-46.7176.9-71.7175.9-69.900112.5R738 I739 F740 M744 D745 E746R738-Q742 WeakPolarHBondContact O-CG 3.47Å; R738-Q742 PolarHBondContact O-N 2.92Å; I739-Q742 PolarHBondContact O-N 3.5Å; F740-Q742 PolarHBondContact O-N 2.82Å; Q742-M744 VanDerWaalsContact C-N 3.35Å; Q742-M744 PolarHBondContact O-N 2.9Å; Q742-D745 PolarHBondContact O-N 2.89Å; Q742-E746 WeakPolarHBondContact O-CB 3.48Å; Q742-E746 PolarHBondContact O-N 3.36Å
743V82.7Confident76.7Confident17 Ų1752 Ų5210%0.10328%0.284CS..Hα-helixtrans-63.5-41.2177.9174.20000111.4Y611 L705 I739 F740 Q741 A747 F787Y611-V743 HydrophobicContact CE1-CG1 4.03Å; Y611-V743 HydrophobicContact CE2-CG1 4.32Å; Y611-V743 WeakPolarHBondContact OH-CG1 3.3Å; L705-V743 HydrophobicContact CD1-CB 4.44Å; L705-V743 HydrophobicContact CD1-CG2 4.24Å; L705-V743 HydrophobicContact CD2-CG1 3.9Å; I739-V743 HydrophobicContact CG2-CG2 4.5Å; I739-V743 WeakPolarHBondContact O-CG2 3.33Å; I739-V743 PolarHBondContact O-N 3.38Å; F740-V743 PolarHBondContact O-N 2.96Å; Q741-V743 PolarHBondContact O-N 3.22Å; V743-A747 WeakPolarHBondContact O-CB 3.49Å; V743-A747 PolarHBondContact O-N 2.9Å; V743-F787 HydrophobicContact CG1-CZ 4.04Å
744M82.4Confident76.8Confident0 Ų052.2 Ų52.20%029%0.286CS..Hα-helixtrans-71.8-37.7179.1-70.4-58.1-54.300112.9M698 F740 Q741 Q742 L748 P756 I761 F782 F787M698-M744 HydrophobicContact CE-SD 4.06Å; F740-M744 HydrophobicContact CD1-CG 3.69Å; F740-M744 HydrophobicContact CE1-CG 3.33Å; F740-M744 HydrophobicContact CE1-SD 3.94Å; F740-M744 HydrophobicContact CG-CG 4.46Å; F740-M744 HydrophobicContact CZ-CG 3.83Å; F740-M744 HydrophobicContact CZ-SD 3.87Å; F740-M744 WeakPolarHBondContact O-CB 3.45Å; F740-M744 WeakPolarHBondContact O-CG 3.43Å; F740-M744 PolarHBondContact O-N 2.9Å; Q741-M744 PolarHBondContact O-N 3.27Å; Q742-M744 VanDerWaalsContact C-N 3.35Å; Q742-M744 PolarHBondContact O-N 2.9Å; M744-L748 HydrophobicContact CE-CD1 3.53Å; M744-L748 HydrophobicContact CE-CG 4.21Å; M744-L748 WeakPolarHBondContact O-CB 3.44Å; M744-L748 PolarHBondContact O-N 2.95Å; M744-P756 HydrophobicContact CB-CB 3.73Å; M744-P756 HydrophobicContact CB-CG 4.02Å; M744-P756 HydrophobicContact CE-CB 4.26Å; M744-I761 HydrophobicContact CE-CD1 3.53Å; M744-I761 HydrophobicContact CE-CG1 3.98Å; M744-F782 HydrophobicContact CE-CE1 3.96Å; M744-F782 HydrophobicContact CE-CZ 3.99Å; M744-F787 HydrophobicContact SD-CE2 4.18Å; M744-F787 HydrophobicContact SD-CZ 4.15Å
745D75.5Confident76.5Confident75 Ų7550.7 Ų50.740%0.40127%0.273SS..Hα-helixtrans-62.3-48.4173.9-73-23.3000109.6Q741 Q742 L748 N749 P756Q741-D745 PolarHBondContact NE2-OD1 3.1Å; Q741-D745 VanDerWaalsContact O-CB 3.3Å; Q741-D745 WeakPolarHBondContact O-CB 3.27Å; Q741-D745 PolarHBondContact O-N 2.96Å; Q742-D745 PolarHBondContact O-N 2.89Å; D745-L748 PolarHBondContact O-N 3.21Å; D745-N749 WeakPolarHBondContact O-CA 3.15Å; D745-N749 VanDerWaalsContact O-CB 3.27Å; D745-N749 WeakPolarHBondContact O-CB 3.49Å; D745-N749 PolarHBondContact O-N 2.83Å; D745-P756 WeakPolarHBondContact OD1-CG 3.49Å
746E77.2Confident76.4Confident154 Ų15449 Ų4972%0.7227%0.265SS*.Hα-helixtrans-61.4-48176.7-173.9175.2-175.100112.1Q742 L748Q742-E746 WeakPolarHBondContact O-CB 3.48Å; Q742-E746 PolarHBondContact O-N 3.36Å; E746-L748 VanDerWaalsContact C-N 3.34Å; E746-L748 PolarHBondContact O-N 2.91Å
747A79.8Confident76Confident9 Ų951.2 Ų51.27%0.07427%0.273CS..Hα-helixtrans-62-36.6179.700000113.7V743 M781 L785 F787V743-A747 WeakPolarHBondContact O-CB 3.49Å; V743-A747 PolarHBondContact O-N 2.9Å; A747-M781 WeakPolarHBondContact O-CG 3.45Å; A747-L785 HydrophobicContact CB-CD1 3.48Å; A747-L785 VanDerWaalsContact CB-CD1 3.48Å; A747-F787 HydrophobicContact CB-CE2 4.2Å
748L82Confident75.9Confident6 Ų651.1 Ų51.13%0.03127%0.271CS..Hα-helixtrans-106.7-1.1-173-60.5179.8000114.3M744 D745 E746 S750 V751 V754 P756 I761 V778 M781 F782M744-L748 HydrophobicContact CE-CD1 3.53Å; M744-L748 HydrophobicContact CE-CG 4.21Å; M744-L748 WeakPolarHBondContact O-CB 3.44Å; M744-L748 PolarHBondContact O-N 2.95Å; D745-L748 PolarHBondContact O-N 3.21Å; E746-L748 VanDerWaalsContact C-N 3.34Å; E746-L748 PolarHBondContact O-N 2.91Å; L748-S750 PolarHBondContact O-N 3.45Å; L748-S750 VanDerWaalsContact O-N 3.08Å; L748-V751 PolarHBondContact O-N 2.94Å; L748-V754 HydrophobicContact CB-CG1 4.35Å; L748-V754 HydrophobicContact CD1-CG1 3.96Å; L748-P756 HydrophobicContact CD1-CB 4.15Å; L748-P756 HydrophobicContact CD1-CG 4.27Å; L748-I761 HydrophobicContact CD1-CD1 4.17Å; L748-I761 HydrophobicContact CD1-CG1 4.26Å; L748-I761 HydrophobicContact CD1-CG2 4.01Å; L748-V778 HydrophobicContact CD2-CG1 4.09Å; L748-V778 HydrophobicContact CD2-CG2 4.49Å; L748-M781 HydrophobicContact CD2-CB 4.35Å; L748-M781 HydrophobicContact CD2-CG 4.23Å; L748-F782 HydrophobicContact CD1-CE1 4.46Å; L748-F782 HydrophobicContact CD2-CE1 4.22Å
749N73.8Confident75.8Confident141 Ų14146.2 Ų46.275%0.75426%0.256SS*.THydrogen-bonded Turntrans-52.4-33.4178.5-160.210.5000112.9D745 V751D745-N749 WeakPolarHBondContact O-CA 3.15Å; D745-N749 VanDerWaalsContact O-CB 3.27Å; D745-N749 WeakPolarHBondContact O-CB 3.49Å; D745-N749 PolarHBondContact O-N 2.83Å; N749-V751 VanDerWaalsContact C-N 3.26Å; N749-V751 PolarHBondContact O-N 3.43Å
750S73.9Confident75.6Confident83 Ų8347 Ų4758%0.5826%0.259SS*.THydrogen-bonded Turntrans-73.3-9.8179.964.20000114.8L748 P752 M781L748-S750 PolarHBondContact O-N 3.45Å; L748-S750 VanDerWaalsContact O-N 3.08Å; S750-P752 WeakPolarHBondContact O-CD 3.45Å; S750-M781 VanDerWaalsContact OG-CE 3.26Å; S750-M781 WeakPolarHBondContact OG-CE 3.46Å
751V75.8Confident75.5Confident10 Ų1047 Ų476%0.06126%0.259CS..SBendtrans-108.2101.3-174.4-165.70000110.8L748 N749 G753 V754 Q777 V778L748-V751 PolarHBondContact O-N 2.94Å; N749-V751 VanDerWaalsContact C-N 3.26Å; N749-V751 PolarHBondContact O-N 3.43Å; V751-G753 PolarHBondContact O-N 3.43Å; V751-V754 HydrophobicContact CB-CB 4.39Å; V751-V754 HydrophobicContact CB-CG2 3.78Å; V751-V754 HydrophobicContact CG1-CG2 3.48Å; V751-V754 VanDerWaalsContact CG1-CG2 3.48Å; V751-V754 WeakPolarHBondContact O-CB 3.29Å; V751-V754 WeakPolarHBondContact O-CG2 3.37Å; V751-V754 PolarHBondContact O-N 3.28Å; V751-Q777 HydrophobicContact CG1-CB 3.79Å; V751-Q777 HydrophobicContact CG2-CB 4.39Å; V751-V778 HydrophobicContact CG1-CG2 4.2Å
752P68.9Low75.4Confident82 Ų8245.8 Ų45.853%0.53225%0.254SS..THydrogen-bonded Turntrans-66137.5-172.426-34.6000112.2S750 V754 R774S750-P752 WeakPolarHBondContact O-CD 3.45Å; P752-V754 VanDerWaalsContact C-N 3.3Å; P752-R774 WeakPolarHBondContact O-CD 3.42Å; P752-R774 PolarHBondContact O-NE 3.15Å
753G70Confident75.4Confident31 Ų3140.8 Ų40.832%0.3223%0.231SC..THydrogen-bonded Turntrans82.91.3-179.700000114.9V751 R764V751-G753 PolarHBondContact O-N 3.43Å; G753-R764 PolarHBondContact O-N 3.49Å
754V78Confident74.8Confident18 Ų1845.8 Ų45.811%0.10925%0.248CC..EExtended strand (participates in β ladder)trans-86.7148.6169.7-174.70000109.5L748 V751 P752 I761 S762 I763 V778L748-V754 HydrophobicContact CB-CG1 4.35Å; L748-V754 HydrophobicContact CD1-CG1 3.96Å; V751-V754 HydrophobicContact CB-CB 4.39Å; V751-V754 HydrophobicContact CB-CG2 3.78Å; V751-V754 HydrophobicContact CG1-CG2 3.48Å; V751-V754 VanDerWaalsContact CG1-CG2 3.48Å; V751-V754 WeakPolarHBondContact O-CB 3.29Å; V751-V754 WeakPolarHBondContact O-CG2 3.37Å; V751-V754 PolarHBondContact O-N 3.28Å; P752-V754 VanDerWaalsContact C-N 3.3Å; V754-I761 HydrophobicContact CG1-CG2 3.55Å; V754-S762 CarbonylContact C-O 3.06Å; V754-I763 HydrophobicContact CG1-CG1 4.49Å; V754-I763 HydrophobicContact CG2-CG1 4.3Å; V754-I763 HydrophobicContact CG2-CG2 4.45Å; V754-V778 HydrophobicContact CB-CG2 4.4Å; V754-V778 HydrophobicContact CG1-CG2 3.97Å; V754-V778 HydrophobicContact CG2-CG2 3.53Å
755T67.1Low74Confident50 Ų5046.2 Ų46.231%0.30725%0.252SS..EExtended strand (participates in β ladder)trans-147.892.4178.9-53.50000107.1S762 R764T755-S762 PolarHBondContact N-O 2.95Å; T755-S762 WeakPolarHBondContact O-CB 3.39Å; T755-S762 PolarHBondContact O-N 3.28Å; T755-R764 PolarHBondContact OG1-NH2 2.96Å
756P74.2Confident73.3Confident10 Ų1044.8 Ų44.87%0.06525%0.25CS..EExtended strand (participates in β ladder)trans-64.1139.4169.627.4-31.3000109.5Q741 M744 D745 L748 I761Q741-P756 PolarHBondContact NE2-O 3.18Å; M744-P756 HydrophobicContact CB-CB 3.73Å; M744-P756 HydrophobicContact CB-CG 4.02Å; M744-P756 HydrophobicContact CE-CB 4.26Å; D745-P756 WeakPolarHBondContact OD1-CG 3.49Å; L748-P756 HydrophobicContact CD1-CB 4.15Å; L748-P756 HydrophobicContact CD1-CG 4.27Å; P756-I761 HydrophobicContact CB-CG1 4.19Å
757Y69.7Low72.4Confident48 Ų4843.7 Ų43.719%0.18826%0.257CS..EExtended strand (participates in β ladder)trans-140.598.3170-176.1-88.7000108.3L687 A688 D759 E760 F803 L804L687-Y757 WeakPolarHBondContact CB-OH 3.49Å; L687-Y757 PolarHBondContact O-OH 3.43Å; A688-Y757 PolarHBondContact N-OH 3.38Å; Y757-D759 PolarHBondContact O-N 3.11Å; Y757-E760 CarbonylContact C-O 3.56Å; Y757-E760 PolarHBondContact N-O 2.9Å; Y757-E760 PolarHBondContact O-N 2.92Å; Y757-E760 VanDerWaalsContact O-N 3.15Å; Y757-E760 VanDerWaalsContact O-O 3.08Å; Y757-F803 AromaticContact CD1-CE1 3.98Å; Y757-F803 HydrophobicContact CD1-CE1 3.98Å; Y757-F803 HydrophobicContact CG-CE1 4.19Å; Y757-L804 HydrophobicContact CD1-CD1 3.6Å; Y757-L804 HydrophobicContact CD1-CD2 4.39Å; Y757-L804 HydrophobicContact CE1-CD1 3.16Å; Y757-L804 HydrophobicContact CE1-CD2 3.9Å; Y757-L804 HydrophobicContact CE1-CG 4.15Å
758F72.5Confident71.1Confident40 Ų4047.1 Ų47.118%0.17528%0.28CS..THydrogen-bonded Turntrans48.2-127.4-168.4-49.8-47.3000111.7L737 F740 Q741 E760L737-F758 HydrophobicContact CB-CD1 4.2Å; L737-F758 HydrophobicContact CB-CE1 3.75Å; L737-F758 HydrophobicContact CB-CZ 4.27Å; L737-F758 HydrophobicContact CD2-CB 4.39Å; L737-F758 HydrophobicContact CD2-CD1 3.5Å; L737-F758 HydrophobicContact CD2-CD2 3.76Å; L737-F758 HydrophobicContact CD2-CE1 3.59Å; L737-F758 HydrophobicContact CD2-CE2 3.82Å; L737-F758 HydrophobicContact CD2-CG 3.61Å; L737-F758 HydrophobicContact CD2-CZ 3.75Å; L737-F758 HydrophobicContact CG-CD1 4.48Å; L737-F758 HydrophobicContact CG-CE1 4.29Å; F740-F758 VanDerWaalsContact CE1-O 3.28Å; F740-F758 WeakPolarHBondContact CE1-O 3.37Å; Q741-F758 HydrophobicContact CB-CD1 4.49Å; Q741-F758 HydrophobicContact CB-CE1 4.42Å; F758-E760 VanDerWaalsContact C-N 3.25Å; F758-E760 PolarHBondContact O-N 3.37Å
759D71.8Confident69.7Low43 Ų4355 Ų5523%0.2332%0.316CS..THydrogen-bonded Turntrans-76.7-3.3-176.457.7-34.6000115.1M698 A701 Y757M698-D759 HydrophobicContact CB-CB 4.47Å; M698-D759 PolarHBondContact N-O 3.45Å; A701-D759 HydrophobicContact CB-CB 3.58Å; Y757-D759 PolarHBondContact O-N 3.11Å
760E74.9Confident69Low31 Ų3152.2 Ų52.215%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-114.9120.5-179.1-56.1-168.8153.500111.5K695 Y757 F758 F803K695-E760 WeakPolarHBondContact CE-OE1 3.18Å; K695-E760 VanDerWaalsContact CE-OE2 3.27Å; K695-E760 WeakPolarHBondContact CE-OE2 3.39Å; K695-E760 IonicContact NZ-OE1 3.95Å; K695-E760 PolarHBondContact NZ-OE1 3.42Å; K695-E760 IonicContact NZ-OE2 3.48Å; K695-E760 PolarHBondContact NZ-OE2 2.88Å; Y757-E760 CarbonylContact C-O 3.56Å; Y757-E760 PolarHBondContact N-O 2.9Å; Y757-E760 PolarHBondContact O-N 2.92Å; Y757-E760 VanDerWaalsContact O-N 3.15Å; Y757-E760 VanDerWaalsContact O-O 3.08Å; F758-E760 VanDerWaalsContact C-N 3.25Å; F758-E760 PolarHBondContact O-N 3.37Å; E760-F803 HydrophobicContact CB-CE2 3.71Å; E760-F803 HydrophobicContact CB-CZ 3.55Å; E760-F803 WeakPolarHBondContact OE2-CD2 3.24Å; E760-F803 VanDerWaalsContact OE2-CE2 3.27Å; E760-F803 WeakPolarHBondContact OE2-CE2 3.42Å
761I79.8Confident68.4Low0 Ų049.5 Ų49.50%028%0.278CS..EExtended strand (participates in β ladder)trans-103.9112.3-179-62.2152.9000109.4K695 I696 M698 M744 L748 V754 P756 I763 V778 F782K695-I761 WeakPolarHBondContact CA-O 3.16Å; I696-I761 HydrophobicContact CB-CB 4.28Å; I696-I761 PolarHBondContact N-O 3.1Å; I696-I761 PolarHBondContact O-N 3.17Å; M698-I761 HydrophobicContact CG-CD1 4.12Å; M744-I761 HydrophobicContact CE-CD1 3.53Å; M744-I761 HydrophobicContact CE-CG1 3.98Å; L748-I761 HydrophobicContact CD1-CD1 4.17Å; L748-I761 HydrophobicContact CD1-CG1 4.26Å; L748-I761 HydrophobicContact CD1-CG2 4.01Å; V754-I761 HydrophobicContact CG1-CG2 3.55Å; P756-I761 HydrophobicContact CB-CG1 4.19Å; I761-I763 HydrophobicContact CG2-CG1 4.45Å; I761-V778 HydrophobicContact CG2-CG1 4.49Å; I761-F782 HydrophobicContact CD1-CE1 4.05Å; I761-F782 HydrophobicContact CD1-CE2 4Å; I761-F782 HydrophobicContact CD1-CZ 3.26Å
762S75.9Confident68Low8 Ų850.8 Ų50.86%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-84.7122.4175.4157.70000110.2V692 V754 T755V692-S762 WeakPolarHBondContact CG1-OG 3.27Å; V692-S762 WeakPolarHBondContact CG2-OG 3.44Å; V754-S762 CarbonylContact C-O 3.06Å; T755-S762 PolarHBondContact N-O 2.95Å; T755-S762 WeakPolarHBondContact O-CB 3.39Å; T755-S762 PolarHBondContact O-N 3.28Å
763I76.6Confident68.2Low0 Ų050.3 Ų50.30%029%0.287CS..EExtended strand (participates in β ladder)trans-105.9126.9169-52-177.5000108.1F693 A694 I696 V754 I761 R774 P775 V778F693-I763 PolarHBondContact N-O 3.03Å; A694-I763 HydrophobicContact CB-CB 4.29Å; A694-I763 PolarHBondContact N-O 3.49Å; A694-I763 PolarHBondContact O-N 3.3Å; I696-I763 HydrophobicContact CD1-CD1 3.81Å; I696-I763 HydrophobicContact CG1-CD1 4.41Å; V754-I763 HydrophobicContact CG1-CG1 4.49Å; V754-I763 HydrophobicContact CG2-CG1 4.3Å; V754-I763 HydrophobicContact CG2-CG2 4.45Å; I761-I763 HydrophobicContact CG2-CG1 4.45Å; I763-R774 HydrophobicContact CG2-CB 3.69Å; I763-P775 HydrophobicContact CD1-CB 4.09Å; I763-P775 HydrophobicContact CD1-CG 4.02Å; I763-V778 HydrophobicContact CD1-CB 4.31Å; I763-V778 HydrophobicContact CD1-CG2 3.85Å; I763-V778 HydrophobicContact CG1-CG2 4.44Å
764R70.7Confident68.4Low122 Ų12250.8 Ų50.846%0.4628%0.279SS..  trans-112.4131174.1-65.6178.2-82.8177.8-7.1109.5Q691 F693 G753 T755 R774Q691-R764 WeakPolarHBondContact O-CD 3.43Å; F693-R764 HydrophobicContact CD2-CB 4.11Å; F693-R764 HydrophobicContact CD2-CG 4.17Å; G753-R764 PolarHBondContact O-N 3.49Å; T755-R764 PolarHBondContact OG1-NH2 2.96Å; R764-R774 PolarHBondContact O-NH1 3.03Å
765A65.4Low68.7Low9 Ų950 Ų507%0.07428%0.275CS..  trans-148.3154.6175.700000111.8Q770 L771A765-Q770 HydrophobicContact CB-CB 4.23Å; A765-L771 HydrophobicContact CB-CB 3.94Å; A765-L771 HydrophobicContact CB-CD1 3.83Å
766A61.8Low69.4Low45 Ų4550.1 Ų50.137%0.37227%0.271SS..  trans-73.9158.4168.700000110.5S768A766-S768 PolarHBondContact O-N 3.41Å
767P58.1Low69.9Low132 Ų13253.6 Ų53.686%0.85729%0.286SS*.THydrogen-bonded Turntrans-61.9-16-173.2-25.335.3000116.3
768S51.3Low70.7Confident80 Ų8051.3 Ų51.356%0.55928%0.277SS*.THydrogen-bonded Turntrans-96.1102.9-172.3540000112.4A766 Q770A766-S768 PolarHBondContact O-N 3.41Å; S768-Q770 PolarHBondContact O-N 2.95Å
769Q54.3Low71.3Confident171 Ų17149.4 Ų49.480%0.79927%0.269SS*.THydrogen-bonded Turntrans57.5-38.1171.4-70.9175.3-25.500118L771 A772Q769-L771 PolarHBondContact O-N 2.7Å; Q769-L771 VanDerWaalsContact O-N 3.15Å; Q769-A772 WeakPolarHBondContact O-CB 3.33Å; Q769-A772 PolarHBondContact O-N 2.99Å
770Q58.6Low72Confident84 Ų8452.4 Ų52.439%0.39328%0.281SS..Hα-helixtrans-57.9-30.3-178.5-64.5-179.48.900113.5A765 S768 A772 C773 R774A765-Q770 HydrophobicContact CB-CB 4.23Å; S768-Q770 PolarHBondContact O-N 2.95Å; Q770-A772 PolarHBondContact O-N 3.37Å; Q770-C773 PolarHBondContact O-N 2.9Å; Q770-R774 PolarHBondContact O-N 3.15Å
771L61.1Low72.4Confident26 Ų2652.7 Ų52.714%0.13628%0.283CS..Hα-helixtrans-66.2-25.1178-170.365.2000112.6F693 A765 Q769 P775 E797F693-L771 HydrophobicContact CB-CD1 4.05Å; A765-L771 HydrophobicContact CB-CB 3.94Å; A765-L771 HydrophobicContact CB-CD1 3.83Å; Q769-L771 PolarHBondContact O-N 2.7Å; Q769-L771 VanDerWaalsContact O-N 3.15Å; L771-P775 WeakPolarHBondContact O-CD 3.39Å; L771-P775 VanDerWaalsContact O-CG 3.22Å; L771-P775 WeakPolarHBondContact O-CG 3.36Å; L771-E797 HydrophobicContact CD2-CB 4.48Å; L771-E797 HydrophobicContact CD2-CG 4.06Å
772A66.3Low72.7Confident36 Ų3652.7 Ų52.730%0.29828%0.283SS..Hα-helixtrans-81.1-38.6173.300000112.3L593 Q769 Q770L593-A772 HydrophobicContact CD1-CB 3.52Å; Q769-A772 WeakPolarHBondContact O-CB 3.33Å; Q769-A772 PolarHBondContact O-N 2.99Å; Q770-A772 PolarHBondContact O-N 3.37Å
773C74.4Confident72.9Confident72 Ų7257.3 Ų57.349%0.48630%0.299SS..Hα-helixtrans-74.7-41.2-176.2-57.60000113.4Q770 K776 Q777Q770-C773 PolarHBondContact O-N 2.9Å; C773-K776 WeakPolarHBondContact O-CB 3.4Å; C773-K776 PolarHBondContact O-N 3.12Å; C773-Q777 WeakPolarHBondContact O-CG 3.48Å; C773-Q777 PolarHBondContact O-N 3.23Å
774R74.9Confident73.3Confident42 Ų4265.2 Ų65.216%0.15833%0.334CS..Hα-helixtrans-64.5-44.3-174.1-73.4179.7-178.7155.110.9114.3P752 I763 R764 Q770 K776 Q777 V778P752-R774 WeakPolarHBondContact O-CD 3.42Å; P752-R774 PolarHBondContact O-NE 3.15Å; I763-R774 HydrophobicContact CG2-CB 3.69Å; R764-R774 PolarHBondContact O-NH1 3.03Å; Q770-R774 PolarHBondContact O-N 3.15Å; R774-K776 VanDerWaalsContact C-N 3.29Å; R774-K776 PolarHBondContact O-N 3.48Å; R774-Q777 PolarHBondContact O-N 3Å; R774-V778 PolarHBondContact O-N 3.16Å
775P82.5Confident73.8Confident1 Ų160.8 Ų60.81%0.00632%0.319CS..Hα-helixtrans-58.9-40172.7-24.535.3000112.4F597 I763 L771 Q777 V778 L779 F796F597-P775 HydrophobicContact CE1-CB 4.13Å; F597-P775 HydrophobicContact CZ-CB 3.93Å; I763-P775 HydrophobicContact CD1-CB 4.09Å; I763-P775 HydrophobicContact CD1-CG 4.02Å; L771-P775 WeakPolarHBondContact O-CD 3.39Å; L771-P775 VanDerWaalsContact O-CG 3.22Å; L771-P775 WeakPolarHBondContact O-CG 3.36Å; P775-Q777 PolarHBondContact O-N 3.08Å; P775-V778 PolarHBondContact O-N 3.49Å; P775-L779 WeakPolarHBondContact O-CB 3.09Å; P775-L779 VanDerWaalsContact O-CG 3.31Å; P775-L779 WeakPolarHBondContact O-CG 3.45Å; P775-L779 PolarHBondContact O-N 3.11Å; P775-F796 HydrophobicContact CB-CD1 4.39Å; P775-F796 HydrophobicContact CB-CE1 4.15Å
776K83.3Confident74.6Confident52 Ų5260.8 Ų60.823%0.22632%0.32CS..Hα-helixtrans-62.7-40.5174.8-67.5-163.1172.8-145.60112.3S596 F597 E599 F600 C773 R774 L779 Q780S596-K776 PolarHBondContact O-NZ 2.84Å; S596-K776 VanDerWaalsContact O-NZ 3.08Å; F597-K776 HydrophobicContact CE1-CG 4.04Å; E599-K776 WeakPolarHBondContact OE1-CE 3.35Å; E599-K776 IonicContact OE1-NZ 2.65Å; E599-K776 PolarHBondContact OE1-NZ 3.09Å; F600-K776 HydrophobicContact CE2-CB 4.25Å; F600-K776 HydrophobicContact CE2-CD 4.32Å; F600-K776 HydrophobicContact CE2-CG 4Å; F600-K776 HydrophobicContact CZ-CB 4.38Å; C773-K776 WeakPolarHBondContact O-CB 3.4Å; C773-K776 PolarHBondContact O-N 3.12Å; R774-K776 VanDerWaalsContact C-N 3.29Å; R774-K776 PolarHBondContact O-N 3.48Å; K776-L779 PolarHBondContact O-N 2.93Å; K776-Q780 WeakPolarHBondContact O-CB 3.4Å; K776-Q780 VanDerWaalsContact O-CG 3.26Å; K776-Q780 WeakPolarHBondContact O-CG 3.48Å; K776-Q780 PolarHBondContact O-N 3.46Å
777Q83.8Confident75.8Confident83 Ų8358.7 Ų58.739%0.38830%0.303SS..Hα-helixtrans-63.4-41.9175.4-72.1173.3-29.700112.7V751 C773 R774 P775 Q780 M781V751-Q777 HydrophobicContact CG1-CB 3.79Å; V751-Q777 HydrophobicContact CG2-CB 4.39Å; C773-Q777 WeakPolarHBondContact O-CG 3.48Å; C773-Q777 PolarHBondContact O-N 3.23Å; R774-Q777 PolarHBondContact O-N 3Å; P775-Q777 PolarHBondContact O-N 3.08Å; Q777-Q780 PolarHBondContact O-N 3.12Å; Q777-M781 PolarHBondContact O-N 3.06Å
778V86Confident77Confident0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-63.4-44.2174.5176.40000110.9I696 L748 V751 V754 I761 I763 R774 P775 M781 F782I696-V778 HydrophobicContact CD1-CB 4.34Å; I696-V778 HydrophobicContact CD1-CG1 3.98Å; L748-V778 HydrophobicContact CD2-CG1 4.09Å; L748-V778 HydrophobicContact CD2-CG2 4.49Å; V751-V778 HydrophobicContact CG1-CG2 4.2Å; V754-V778 HydrophobicContact CB-CG2 4.4Å; V754-V778 HydrophobicContact CG1-CG2 3.97Å; V754-V778 HydrophobicContact CG2-CG2 3.53Å; I761-V778 HydrophobicContact CG2-CG1 4.49Å; I763-V778 HydrophobicContact CD1-CB 4.31Å; I763-V778 HydrophobicContact CD1-CG2 3.85Å; I763-V778 HydrophobicContact CG1-CG2 4.44Å; R774-V778 PolarHBondContact O-N 3.16Å; P775-V778 PolarHBondContact O-N 3.49Å; V778-M781 PolarHBondContact O-N 3.24Å; V778-F782 HydrophobicContact CG1-CD1 4.25Å; V778-F782 HydrophobicContact CG1-CE1 4.18Å; V778-F782 HydrophobicContact CG1-CZ 4.48Å; V778-F782 WeakPolarHBondContact O-CB 3.35Å; V778-F782 WeakPolarHBondContact O-CD1 3.47Å; V778-F782 WeakPolarHBondContact O-CG 3.49Å; V778-F782 PolarHBondContact O-N 2.87Å
779L86.8Confident78.5Confident1 Ų149.6 Ų49.61%0.00524%0.24CC..Hα-helixtrans-65.1-40176.5-68.9174.5000112.2F597 F600 I603 F604 P775 K776 M781 F782 R783F597-L779 HydrophobicContact CD1-CD1 3.59Å; F597-L779 HydrophobicContact CE1-CD1 3.75Å; F600-L779 HydrophobicContact CB-CD1 4.29Å; F600-L779 HydrophobicContact CD1-CB 3.88Å; F600-L779 HydrophobicContact CD2-CB 4.21Å; F600-L779 HydrophobicContact CD2-CD1 3.83Å; F600-L779 HydrophobicContact CE1-CB 3.99Å; F600-L779 HydrophobicContact CE2-CB 4.32Å; F600-L779 HydrophobicContact CE2-CD1 4.36Å; F600-L779 HydrophobicContact CG-CB 4Å; F600-L779 HydrophobicContact CG-CD1 4.06Å; F600-L779 HydrophobicContact CZ-CB 4.22Å; I603-L779 HydrophobicContact CD1-CB 3.81Å; I603-L779 HydrophobicContact CD1-CD2 4.07Å; I603-L779 WeakPolarHBondContact CD1-O 3.34Å; I603-L779 HydrophobicContact CG2-CD2 4.11Å; F604-L779 HydrophobicContact CE1-CD2 4.44Å; F604-L779 HydrophobicContact CE2-CD1 4.48Å; F604-L779 HydrophobicContact CZ-CD1 4.17Å; F604-L779 HydrophobicContact CZ-CD2 3.91Å; P775-L779 WeakPolarHBondContact O-CB 3.09Å; P775-L779 VanDerWaalsContact O-CG 3.31Å; P775-L779 WeakPolarHBondContact O-CG 3.45Å; P775-L779 PolarHBondContact O-N 3.11Å; K776-L779 PolarHBondContact O-N 2.93Å; L779-M781 VanDerWaalsContact C-N 3.34Å; L779-M781 PolarHBondContact O-N 3.09Å; L779-F782 WeakPolarHBondContact O-CB 3.17Å; L779-F782 PolarHBondContact O-N 3.33Å; L779-F782 VanDerWaalsContact O-N 3.16Å; L779-R783 PolarHBondContact O-N 3.05Å
780Q86Confident79.8Confident105 Ų10544.2 Ų44.249%0.49121%0.214SC..Hα-helixtrans-60.7-41.9173.1-75.8170.2-14.400112F600 K776 Q777 F782 R783 K784F600-Q780 HydrophobicContact CE1-CG 3.78Å; F600-Q780 HydrophobicContact CZ-CG 3.8Å; K776-Q780 WeakPolarHBondContact O-CB 3.4Å; K776-Q780 VanDerWaalsContact O-CG 3.26Å; K776-Q780 WeakPolarHBondContact O-CG 3.48Å; K776-Q780 PolarHBondContact O-N 3.46Å; Q777-Q780 PolarHBondContact O-N 3.12Å; Q780-F782 VanDerWaalsContact C-N 3.33Å; Q780-R783 PolarHBondContact O-N 3.41Å; Q780-K784 WeakPolarHBondContact O-CB 3.25Å; Q780-K784 PolarHBondContact O-N 2.98Å
781M82.3Confident80.7Confident38 Ų3845.1 Ų45.119%0.18722%0.217CC..Hα-helixtrans-64.5-39.1174.2-169.961.479.500111.7A747 L748 S750 Q777 V778 L779 K784 L785A747-M781 WeakPolarHBondContact O-CG 3.45Å; L748-M781 HydrophobicContact CD2-CB 4.35Å; L748-M781 HydrophobicContact CD2-CG 4.23Å; S750-M781 VanDerWaalsContact OG-CE 3.26Å; S750-M781 WeakPolarHBondContact OG-CE 3.46Å; Q777-M781 PolarHBondContact O-N 3.06Å; V778-M781 PolarHBondContact O-N 3.24Å; L779-M781 VanDerWaalsContact C-N 3.34Å; L779-M781 PolarHBondContact O-N 3.09Å; M781-K784 PolarHBondContact O-N 3Å; M781-K784 HydrophobicContact SD-CD 4.4Å; M781-L785 HydrophobicContact CG-CD1 3.81Å; M781-L785 HydrophobicContact CG-CG 4.41Å; M781-L785 WeakPolarHBondContact O-CB 3.01Å; M781-L785 WeakPolarHBondContact O-CG 3.29Å; M781-L785 PolarHBondContact O-N 3.2Å; M781-L785 HydrophobicContact SD-CD1 3.97Å; M781-L785 HydrophobicContact SD-CG 4.2Å
782F85.9Confident81.3Confident0 Ų051.4 Ų51.40%025%0.245CC..Hα-helixtrans-62.3-47.6176.2-83.918.4000112.3I603 I696 M698 M744 L748 I761 V778 L779 Q780 K784 L785 G786 F787 A789I603-F782 HydrophobicContact CD1-CB 4.24Å; I603-F782 HydrophobicContact CG2-CB 4.26Å; I603-F782 HydrophobicContact CG2-CD2 4.32Å; I696-F782 HydrophobicContact CG2-CE2 4.39Å; M698-F782 HydrophobicContact CE-CZ 4.15Å; M698-F782 HydrophobicContact CG-CE2 4.42Å; M698-F782 HydrophobicContact CG-CZ 4.32Å; M698-F782 HydrophobicContact SD-CD2 4.34Å; M698-F782 HydrophobicContact SD-CE1 4.5Å; M698-F782 HydrophobicContact SD-CE2 3.3Å; M698-F782 WeakPolarHBondContact SD-CE2 3.32Å; M698-F782 HydrophobicContact SD-CZ 3.35Å; M698-F782 WeakPolarHBondContact SD-CZ 3.38Å; M744-F782 HydrophobicContact CE-CE1 3.96Å; M744-F782 HydrophobicContact CE-CZ 3.99Å; L748-F782 HydrophobicContact CD1-CE1 4.46Å; L748-F782 HydrophobicContact CD2-CE1 4.22Å; I761-F782 HydrophobicContact CD1-CE1 4.05Å; I761-F782 HydrophobicContact CD1-CE2 4Å; I761-F782 HydrophobicContact CD1-CZ 3.26Å; V778-F782 HydrophobicContact CG1-CD1 4.25Å; V778-F782 HydrophobicContact CG1-CE1 4.18Å; V778-F782 HydrophobicContact CG1-CZ 4.48Å; V778-F782 WeakPolarHBondContact O-CB 3.35Å; V778-F782 WeakPolarHBondContact O-CD1 3.47Å; V778-F782 WeakPolarHBondContact O-CG 3.49Å; V778-F782 PolarHBondContact O-N 2.87Å; L779-F782 WeakPolarHBondContact O-CB 3.17Å; L779-F782 PolarHBondContact O-N 3.33Å; L779-F782 VanDerWaalsContact O-N 3.16Å; Q780-F782 VanDerWaalsContact C-N 3.33Å; F782-K784 VanDerWaalsContact C-N 3.31Å; F782-K784 PolarHBondContact O-N 3.07Å; F782-L785 PolarHBondContact O-N 3.41Å; F782-G786 CarbonylContact O-C 3.51Å; F782-G786 PolarHBondContact O-N 3.36Å; F782-F787 HydrophobicContact CB-CB 4.07Å; F782-F787 HydrophobicContact CD1-CB 4Å; F782-F787 AromaticContact CD1-CD2 3.94Å; F782-F787 HydrophobicContact CD1-CD2 3.94Å; F782-F787 HydrophobicContact CD1-CG 4.44Å; F782-F787 HydrophobicContact CD2-CB 4.01Å; F782-F787 HydrophobicContact CE1-CB 4.26Å; F782-F787 AromaticContact CE1-CD2 3.93Å; F782-F787 HydrophobicContact CE1-CD2 3.93Å; F782-F787 HydrophobicContact CE1-CG 4.43Å; F782-F787 HydrophobicContact CE2-CB 4.29Å; F782-F787 HydrophobicContact CG-CB 3.8Å; F782-F787 HydrophobicContact CZ-CB 4.33Å; F782-F787 PolarHBondContact O-N 2.93Å; F782-A789 HydrophobicContact CD2-CB 4.5Å; F782-A789 HydrophobicContact CE2-CB 4.47Å
783R81.9Confident81.8Confident104 Ų10453.7 Ų53.739%0.39225%0.248SC..Hα-helixtrans-56.2-46.1172.1176-179.7-72157.9-3.1111.5E599 D602 I603 L779 Q780 L785 G786E599-R783 PolarHBondContact O-NH2 2.9Å; D602-R783 VanDerWaalsContact CG-NH2 3.3Å; D602-R783 IonicContact OD1-CZ 3.62Å; D602-R783 IonicContact OD1-NE 3.67Å; D602-R783 IonicContact OD1-NH2 2.7Å; D602-R783 PolarHBondContact OD1-NH2 3.1Å; D602-R783 IonicContact OD2-CZ 3.45Å; D602-R783 IonicContact OD2-NE 2.77Å; D602-R783 PolarHBondContact OD2-NE 3.11Å; D602-R783 IonicContact OD2-NH2 3.25Å; D602-R783 PolarHBondContact OD2-NH2 3Å; I603-R783 HydrophobicContact CD1-CB 3.97Å; I603-R783 HydrophobicContact CG1-CB 4.2Å; L779-R783 PolarHBondContact O-N 3.05Å; Q780-R783 PolarHBondContact O-N 3.41Å; R783-L785 VanDerWaalsContact C-N 3.32Å; R783-L785 PolarHBondContact O-N 3.25Å; R783-G786 PolarHBondContact O-N 3.06Å
784K83.5Confident82.1Confident166 Ų16650.9 Ų50.972%0.72223%0.229SC*.Hα-helixtrans-62.1-38.5-179.4-175.7-178.7176.8-1740112.7Q780 M781 F782Q780-K784 WeakPolarHBondContact O-CB 3.25Å; Q780-K784 PolarHBondContact O-N 2.98Å; M781-K784 PolarHBondContact O-N 3Å; M781-K784 HydrophobicContact SD-CD 4.4Å; F782-K784 VanDerWaalsContact C-N 3.31Å; F782-K784 PolarHBondContact O-N 3.07Å
785L82Confident82.2Confident30 Ų3052.5 Ų52.516%0.15724%0.241CC..Hα-helixtrans-92.5-11.2-176.6-66.8175.2000114.1Y611 T612 A747 M781 F782 R783 F787Y611-L785 VanDerWaalsContact CA-O 3.31Å; Y611-L785 WeakPolarHBondContact CA-O 3.49Å; Y611-L785 HydrophobicContact CD2-CB 4.08Å; Y611-L785 WeakPolarHBondContact CD2-O 3.45Å; Y611-L785 HydrophobicContact CE2-CB 3.94Å; Y611-L785 HydrophobicContact CE2-CD1 4.29Å; Y611-L785 HydrophobicContact CE2-CD2 4.25Å; Y611-L785 HydrophobicContact CE2-CG 4.39Å; T612-L785 PolarHBondContact N-O 3.31Å; A747-L785 HydrophobicContact CB-CD1 3.48Å; A747-L785 VanDerWaalsContact CB-CD1 3.48Å; M781-L785 HydrophobicContact CG-CD1 3.81Å; M781-L785 HydrophobicContact CG-CG 4.41Å; M781-L785 WeakPolarHBondContact O-CB 3.01Å; M781-L785 WeakPolarHBondContact O-CG 3.29Å; M781-L785 PolarHBondContact O-N 3.2Å; M781-L785 HydrophobicContact SD-CD1 3.97Å; M781-L785 HydrophobicContact SD-CG 4.2Å; F782-L785 PolarHBondContact O-N 3.41Å; R783-L785 VanDerWaalsContact C-N 3.32Å; R783-L785 PolarHBondContact O-N 3.25Å; L785-F787 HydrophobicContact CB-CD2 3.91Å; L785-F787 HydrophobicContact CB-CE2 4.1Å; L785-F787 HydrophobicContact CD1-CD2 4.23Å; L785-F787 HydrophobicContact CD1-CE2 3.91Å
786G81.8Confident82.1Confident9 Ų954.6 Ų54.69%0.09325%0.25CC..THydrogen-bonded Turntrans93-1.9-17800000115.3F782 R783 R788F782-G786 CarbonylContact O-C 3.51Å; F782-G786 PolarHBondContact O-N 3.36Å; R783-G786 PolarHBondContact O-N 3.06Å; G786-R788 PolarHBondContact O-NH1 3.46Å; G786-R788 VanDerWaalsContact O-NH1 3.14Å
787F86.5Confident81.5Confident0 Ų056.9 Ų56.90%026%0.262CS..  trans-64.8149.9-177.5-68.6-50.7000113.6Y611 M698 Q704 L705 V743 M744 A747 F782 L785Y611-F787 AromaticContact CD2-CD1 3.98Å; Y611-F787 HydrophobicContact CD2-CD1 3.98Å; Y611-F787 HydrophobicContact CD2-CD2 4.32Å; Y611-F787 AromaticContact CD2-CE1 3.37Å; Y611-F787 HydrophobicContact CD2-CE1 3.37Å; Y611-F787 AromaticContact CD2-CE2 3.75Å; Y611-F787 HydrophobicContact CD2-CE2 3.75Å; Y611-F787 HydrophobicContact CD2-CG 4.44Å; Y611-F787 AromaticContact CD2-CZ 3.24Å; Y611-F787 HydrophobicContact CD2-CZ 3.24Å; Y611-F787 HydrophobicContact CE2-CD2 4.43Å; Y611-F787 AromaticContact CE2-CE1 3.86Å; Y611-F787 HydrophobicContact CE2-CE1 3.86Å; Y611-F787 AromaticContact CE2-CE2 3.54Å; Y611-F787 HydrophobicContact CE2-CE2 3.54Å; Y611-F787 AromaticContact CE2-CZ 3.2Å; Y611-F787 HydrophobicContact CE2-CZ 3.2Å; Y611-F787 AromaticContact CG-CE1 3.89Å; Y611-F787 HydrophobicContact CG-CE1 3.89Å; Y611-F787 HydrophobicContact CG-CZ 4.08Å; M698-F787 HydrophobicContact CE-CB 4.08Å; M698-F787 HydrophobicContact CE-CD1 3.63Å; M698-F787 HydrophobicContact CE-CE1 4.1Å; M698-F787 HydrophobicContact CE-CG 3.87Å; M698-F787 HydrophobicContact SD-CB 4.41Å; Q704-F787 HydrophobicContact CB-CD1 4.22Å; Q704-F787 VanDerWaalsContact OE1-CA 3.25Å; Q704-F787 VanDerWaalsContact OE1-CD1 3.31Å; L705-F787 HydrophobicContact CD2-CE1 3.88Å; L705-F787 HydrophobicContact CD2-CZ 4.23Å; V743-F787 HydrophobicContact CG1-CZ 4.04Å; M744-F787 HydrophobicContact SD-CE2 4.18Å; M744-F787 HydrophobicContact SD-CZ 4.15Å; A747-F787 HydrophobicContact CB-CE2 4.2Å; F782-F787 HydrophobicContact CB-CB 4.07Å; F782-F787 HydrophobicContact CD1-CB 4Å; F782-F787 AromaticContact CD1-CD2 3.94Å; F782-F787 HydrophobicContact CD1-CD2 3.94Å; F782-F787 HydrophobicContact CD1-CG 4.44Å; F782-F787 HydrophobicContact CD2-CB 4.01Å; F782-F787 HydrophobicContact CE1-CB 4.26Å; F782-F787 AromaticContact CE1-CD2 3.93Å; F782-F787 HydrophobicContact CE1-CD2 3.93Å; F782-F787 HydrophobicContact CE1-CG 4.43Å; F782-F787 HydrophobicContact CE2-CB 4.29Å; F782-F787 HydrophobicContact CG-CB 3.8Å; F782-F787 HydrophobicContact CZ-CB 4.33Å; F782-F787 PolarHBondContact O-N 2.93Å; L785-F787 HydrophobicContact CB-CD2 3.91Å; L785-F787 HydrophobicContact CB-CE2 4.1Å; L785-F787 HydrophobicContact CD1-CD2 4.23Å; L785-F787 HydrophobicContact CD1-CE2 3.91Å
788R83.4Confident80.7Confident17 Ų1754.8 Ų54.86%0.06425%0.252CS..  trans-123.9139.6-177.7-65.5-59.5-161.2-88.99112.3D602 I603 L608 E609 A699 Q704 G786D602-R788 PolarHBondContact O-NE 3.37Å; D602-R788 VanDerWaalsContact O-NE 3.14Å; I603-R788 WeakPolarHBondContact O-CA 3.34Å; I603-R788 VanDerWaalsContact O-CD 3.26Å; I603-R788 WeakPolarHBondContact O-CD 3.2Å; L608-R788 HydrophobicContact CD2-CB 4.24Å; L608-R788 HydrophobicContact CD2-CG 4.44Å; E609-R788 IonicContact OE2-CZ 3.57Å; E609-R788 IonicContact OE2-NH1 3.33Å; E609-R788 IonicContact OE2-NH2 3.59Å; E609-R788 PolarHBondContact OE2-NH2 3.31Å; A699-R788 HydrophobicContact CB-CB 4.26Å; A699-R788 PolarHBondContact N-O 3.11Å; Q704-R788 PolarHBondContact NE2-O 3.2Å; G786-R788 PolarHBondContact O-NH1 3.46Å; G786-R788 VanDerWaalsContact O-NH1 3.14Å
789A84.2Confident79.6Confident5 Ų564.2 Ų64.24%0.04129%0.294CS..BIsolated β-bridgetrans-120.4154.3-176.900000112.1I603 F604 I696 F782I603-A789 HydrophobicContact CG2-CB 4.21Å; I603-A789 PolarHBondContact O-N 3.48Å; F604-A789 HydrophobicContact CD1-CB 4.15Å; F604-A789 WeakPolarHBondContact CD1-O 3.31Å; F604-A789 HydrophobicContact CE1-CB 3.87Å; I696-A789 HydrophobicContact CG2-CB 3.9Å; F782-A789 HydrophobicContact CD2-CB 4.5Å; F782-A789 HydrophobicContact CE2-CB 4.47Å
790K80.5Confident78.2Confident57 Ų5770 Ų7025%0.24833%0.329CS..  trans-97.398.1179.2-160.9-174.5-170.2-140.60111.7D697 E792 K793 C794D697-K790 PolarHBondContact O-N 3.16Å; K790-E792 VanDerWaalsContact C-N 3.28Å; K790-E792 VanDerWaalsContact CE-CD 3.44Å; K790-E792 WeakPolarHBondContact CE-OE1 3.38Å; K790-E792 HydrophobicContact CG-CB 4.48Å; K790-E792 IonicContact NZ-OE1 2.83Å; K790-E792 PolarHBondContact NZ-OE1 3.13Å; K790-E792 IonicContact NZ-OE2 2.68Å; K790-E792 PolarHBondContact NZ-OE2 3.23Å; K790-E792 PolarHBondContact O-N 2.73Å; K790-E792 VanDerWaalsContact O-N 3.14Å; K790-K793 HydrophobicContact CD-CD 4.14Å; K790-K793 HydrophobicContact CD-CG 4.31Å; K790-K793 PolarHBondContact O-N 3.16Å; K790-C794 PolarHBondContact O-N 2.82Å; K790-C794 PolarHBondContact O-SG 3.33Å
791K76.7Confident77.1Confident104 Ų10466.3 Ų66.345%0.45231%0.314SS..G310 helixtrans-47.5-45.9-177.4-163.1171.7-176.8174.10112.8E598 F604 K793 C794E598-K791 IonicContact OE2-NZ 3.63Å; E598-K791 PolarHBondContact OE2-NZ 3.14Å; E598-K791 VanDerWaalsContact OE2-NZ 3.09Å; F604-K791 HydrophobicContact CB-CB 4.17Å; F604-K791 HydrophobicContact CD1-CB 3.66Å; F604-K791 HydrophobicContact CD1-CG 4.27Å; F604-K791 HydrophobicContact CD2-CD 4.29Å; F604-K791 HydrophobicContact CE1-CB 4.19Å; F604-K791 HydrophobicContact CE1-CG 4.49Å; F604-K791 HydrophobicContact CG-CB 3.93Å; F604-K791 HydrophobicContact CG-CD 4.28Å; F604-K791 HydrophobicContact CG-CG 4.31Å; K791-K793 PolarHBondContact O-N 3.39Å; K791-C794 PolarHBondContact O-N 2.8Å
792E74.2Confident75.8Confident157 Ų15771.2 Ų71.273%0.73434%0.34SS*.G310 helixtrans-54.4-23.2178.7-63.6169.9-123.500116.1K790K790-E792 VanDerWaalsContact C-N 3.28Å; K790-E792 VanDerWaalsContact CE-CD 3.44Å; K790-E792 WeakPolarHBondContact CE-OE1 3.38Å; K790-E792 HydrophobicContact CG-CB 4.48Å; K790-E792 IonicContact NZ-OE1 2.83Å; K790-E792 PolarHBondContact NZ-OE1 3.13Å; K790-E792 IonicContact NZ-OE2 2.68Å; K790-E792 PolarHBondContact NZ-OE2 3.23Å; K790-E792 PolarHBondContact O-N 2.73Å; K790-E792 VanDerWaalsContact O-N 3.14Å
793K77.1Confident74.2Confident84 Ų8472.2 Ų72.237%0.36535%0.345SS..G310 helixtrans-114-9.6-175.8-81.9-176.6156.7-156.90113.3D697 K790 K791D697-K793 HydrophobicContact CB-CB 3.67Å; D697-K793 HydrophobicContact CB-CD 4.01Å; D697-K793 WeakPolarHBondContact OD1-CD 3.34Å; D697-K793 IonicContact OD1-NZ 2.74Å; D697-K793 PolarHBondContact OD1-NZ 3.23Å; D697-K793 WeakPolarHBondContact OD2-CD 3.36Å; D697-K793 IonicContact OD2-NZ 3.71Å; D697-K793 PolarHBondContact OD2-NZ 3.43Å; K790-K793 HydrophobicContact CD-CD 4.14Å; K790-K793 HydrophobicContact CD-CG 4.31Å; K790-K793 PolarHBondContact O-N 3.16Å; K791-K793 PolarHBondContact O-N 3.39Å
794C80.6Confident72.6Confident13 Ų1370.8 Ų70.89%0.08835%0.345CS..  trans-70.9133.5175.2-62.10000108.5K695 K790 K791 F796K695-C794 CarbonylContact O-C 3.57Å; K695-C794 VanDerWaalsContact O-CA 3.29Å; K695-C794 WeakPolarHBondContact O-CA 3.2Å; K790-C794 PolarHBondContact O-N 2.82Å; K790-C794 PolarHBondContact O-SG 3.33Å; K791-C794 PolarHBondContact O-N 2.8Å; C794-F796 HydrophobicContact CB-CE2 3.64Å; C794-F796 HydrophobicContact CB-CZ 3.72Å
795L77.6Confident70.6Confident77 Ų7768.8 Ų68.840%0.40337%0.371SS..BIsolated β-bridgetrans-120.3122.2179.7-58.5173.7000108.9A694 K695 I798 V801A694-L795 CarbonylContact C-O 3.54Å; A694-L795 VanDerWaalsContact CA-O 3.24Å; A694-L795 WeakPolarHBondContact CA-O 3.33Å; A694-L795 WeakPolarHBondContact CB-O 3.46Å; K695-L795 HydrophobicContact CB-CB 4.46Å; K695-L795 PolarHBondContact N-O 3.13Å; K695-L795 PolarHBondContact O-N 2.95Å; L795-I798 HydrophobicContact CB-CD1 3.75Å; L795-I798 HydrophobicContact CB-CG2 4.35Å; L795-I798 HydrophobicContact CD1-CD1 4.15Å; L795-V801 HydrophobicContact CD1-CG2 3.76Å
796F79.9Confident70Confident44 Ų4470.8 Ų70.819%0.19338%0.382CS..  trans-113.7153.6-179.6-55.6-77.3000110.4L593 F597 A694 I696 P775 C794 I798L593-F796 HydrophobicContact CD2-CB 4.37Å; F597-F796 HydrophobicContact CD2-CE2 4.39Å; F597-F796 HydrophobicContact CE2-CD1 4.05Å; F597-F796 HydrophobicContact CE2-CD2 4.12Å; F597-F796 HydrophobicContact CE2-CE1 4.04Å; F597-F796 HydrophobicContact CE2-CE2 4.1Å; F597-F796 HydrophobicContact CE2-CG 4.09Å; F597-F796 HydrophobicContact CE2-CZ 4.06Å; F597-F796 HydrophobicContact CZ-CD1 4.11Å; F597-F796 AromaticContact CZ-CE1 3.97Å; F597-F796 HydrophobicContact CZ-CE1 3.97Å; F597-F796 HydrophobicContact CZ-CZ 4.32Å; A694-F796 HydrophobicContact CB-CD1 4.21Å; I696-F796 HydrophobicContact CG1-CE1 4.26Å; P775-F796 HydrophobicContact CB-CD1 4.39Å; P775-F796 HydrophobicContact CB-CE1 4.15Å; C794-F796 HydrophobicContact CB-CE2 3.64Å; C794-F796 HydrophobicContact CB-CZ 3.72Å; F796-I798 VanDerWaalsContact C-N 3.29Å; F796-I798 PolarHBondContact O-N 3.02Å
797E70.2Confident69.4Low101 Ų10174 Ų7447%0.47240%0.397SS..SBendtrans53.835.8175.1-52.7-163.5139.700116L593 L771L593-E797 HydrophobicContact CD2-CG 4.1Å; L771-E797 HydrophobicContact CD2-CB 4.48Å; L771-E797 HydrophobicContact CD2-CG 4.06Å
798I68.3Low68.4Low38 Ų3878.1 Ų78.120%0.19542%0.419CS..  trans-93.5136.4-179.451.8173.3000112.1F693 L795 F796 V801F693-I798 WeakPolarHBondContact O-CG1 3.47Å; F693-I798 PolarHBondContact O-N 3.16Å; F693-I798 VanDerWaalsContact O-N 3.09Å; L795-I798 HydrophobicContact CB-CD1 3.75Å; L795-I798 HydrophobicContact CB-CG2 4.35Å; L795-I798 HydrophobicContact CD1-CD1 4.15Å; F796-I798 VanDerWaalsContact C-N 3.29Å; F796-I798 PolarHBondContact O-N 3.02Å; I798-V801 HydrophobicContact CD1-CB 3.41Å; I798-V801 VanDerWaalsContact CD1-CB 3.41Å; I798-V801 HydrophobicContact CD1-CG2 3.29Å
799K62.2Low67.5Low199 Ų19981.7 Ų81.787%0.86544%0.44SS*.SBendtrans-77.3-22.8177.3-63.9-175.7-179.6-179.50113.4
800T57.6Low66.5Low121 Ų12186.5 Ų86.574%0.74247%0.465SS*.  trans-153.2136.9-179.549.80000108
801V63.8Low65.5Low28 Ų2888.5 Ų88.517%0.1748%0.48CS..  trans-122.9145.6168.790.10000109.7V692 K695 L795 I798 F803V692-V801 HydrophobicContact CB-CB 4.49Å; V692-V801 HydrophobicContact CB-CG1 3.62Å; V692-V801 HydrophobicContact CG1-CG1 4.22Å; V692-V801 HydrophobicContact CG2-CG1 3.74Å; K695-V801 HydrophobicContact CB-CG2 4.45Å; K695-V801 HydrophobicContact CD-CG1 4.44Å; K695-V801 HydrophobicContact CD-CG2 3.81Å; L795-V801 HydrophobicContact CD1-CG2 3.76Å; I798-V801 HydrophobicContact CD1-CB 3.41Å; I798-V801 VanDerWaalsContact CD1-CB 3.41Å; I798-V801 HydrophobicContact CD1-CG2 3.29Å; V801-F803 HydrophobicContact CG1-CB 3.98Å; V801-F803 HydrophobicContact CG1-CD2 3.85Å; V801-F803 HydrophobicContact CG1-CG 4.4Å; V801-F803 PolarHBondContact O-N 3.28Å
802D53.4Low64.8Low141 Ų14187.4 Ų87.475%0.75448%0.482SS*.  trans-77.5118.1163-62.6-30.8000108K695K695-D802 PolarHBondContact NZ-O 3.42Å
803F52.1Low64Low21 Ų2182 Ų829%0.09246%0.462CS..  trans-123.7109.5-177.2-149.7-94000108.3V692 K695 Y757 E760 V801V692-F803 HydrophobicContact CG2-CD2 3.73Å; V692-F803 HydrophobicContact CG2-CE2 4.08Å; V692-F803 HydrophobicContact CG2-CG 4.17Å; K695-F803 HydrophobicContact CD-CD2 4.05Å; K695-F803 HydrophobicContact CD-CE2 4.11Å; K695-F803 HydrophobicContact CG-CE2 4.39Å; Y757-F803 AromaticContact CD1-CE1 3.98Å; Y757-F803 HydrophobicContact CD1-CE1 3.98Å; Y757-F803 HydrophobicContact CG-CE1 4.19Å; E760-F803 HydrophobicContact CB-CE2 3.71Å; E760-F803 HydrophobicContact CB-CZ 3.55Å; E760-F803 WeakPolarHBondContact OE2-CD2 3.24Å; E760-F803 VanDerWaalsContact OE2-CE2 3.27Å; E760-F803 WeakPolarHBondContact OE2-CE2 3.42Å; V801-F803 HydrophobicContact CG1-CB 3.98Å; V801-F803 HydrophobicContact CG1-CD2 3.85Å; V801-F803 HydrophobicContact CG1-CG 4.4Å; V801-F803 PolarHBondContact O-N 3.28Å
804L48.9Very low62.9Low75 Ų7581.8 Ų81.839%0.39347%0.47SS..  trans71.224.2-179.4-56.6153.5000116.3A688 Y757A688-L804 HydrophobicContact CB-CB 4.47Å; Y757-L804 HydrophobicContact CD1-CD1 3.6Å; Y757-L804 HydrophobicContact CD1-CD2 4.39Å; Y757-L804 HydrophobicContact CE1-CD1 3.16Å; Y757-L804 HydrophobicContact CE1-CD2 3.9Å; Y757-L804 HydrophobicContact CE1-CG 4.15Å
805G40.9Very low61.3Low124 Ų12488.1 Ų88.1100%1.27851%0.505SS*.  trans90.30169.900000114.4

Retrieved 805 of 805 residues in 116.1 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).