A0A096NDS5_PAPAN Loading...

Phosphodiesterase

Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides cAMP and cGMP. Catalyzes the hydrolysis of both cAMP and cGMP to 5'-AMP and 5'-GMP, respectively.

AlphaFold DB , UniProt , Accession A0A096NDS5, Species PAPAN (Papio anubis, Olive baboon), Gene PDE11A, Length 933 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low50Low247 Ų247118.8 Ų118.8100%1.21766%0.66SS**  0128.10-64.2174.5-175.500107.3A3M1-A3 PolarHBondContact O-N 2.81Å
2A29.1Very low51.3Low106 Ų106111.3 Ų111.388%0.87662%0.616SS**PPolyproline II helixtrans-75.2124.6177.200000109.5S4A2-S4 PolarHBondContact O-N 3.06Å
3A32.2Very low52.9Low100 Ų100108.2 Ų108.283%0.82660%0.602SS**PPolyproline II helixtrans-70.9118.1175.500000109.4M1 R5M1-A3 PolarHBondContact O-N 2.81Å; A3-R5 PolarHBondContact O-N 2.59Å
4S38.3Very low54.5Low103 Ų103108.1 Ų108.172%0.7259%0.593SS**PPolyproline II helixtrans-60.7120.5172.149.70000109.6A2 L6A2-S4 PolarHBondContact O-N 3.06Å; S4-L6 PolarHBondContact O-N 3.07Å
5R42.5Very low55.9Low248 Ų248101.8 Ų101.894%0.93656%0.558SS**  trans-63.6108.4164.4-78.5-177.8172.5179.4-2.2107.4A3 D7A3-R5 PolarHBondContact O-N 2.59Å; R5-D7 PolarHBondContact O-N 2.71Å
6L49.8Very low56.9Low136 Ų136100.9 Ų100.971%0.71255%0.553SS**  trans-58.9129168.2-78.9154.7000108.6S4 V11S4-L6 PolarHBondContact O-N 3.07Å; L6-V11 HydrophobicContact CB-CG2 4.48Å
7D58.2Low57.7Low103 Ų103106.1 Ų106.155%0.55156%0.562SS**  trans-74.6134.4173.7-172.69.3000109.5R5 G9 E10 V11R5-D7 PolarHBondContact O-N 2.71Å; D7-G9 VanDerWaalsContact C-N 3.26Å; D7-G9 PolarHBondContact O-N 3.35Å; D7-E10 HydrophobicContact CB-CG 4.23Å; D7-E10 PolarHBondContact O-N 3.2Å; D7-V11 PolarHBondContact O-N 2.76Å
8F59.5Low58.3Low78 Ų78104.1 Ų104.134%0.34255%0.549SS..Hα-helixtrans-64.2-33.8-176.3-178.2-106.5000111.5E10 V11 E12 M34F8-E10 VanDerWaalsContact C-N 3.33Å; F8-E10 PolarHBondContact O-N 3.2Å; F8-V11 PolarHBondContact O-N 2.66Å; F8-E12 HydrophobicContact CD1-CG 4.24Å; F8-E12 HydrophobicContact CE1-CG 3.79Å; F8-E12 VanDerWaalsContact CE1-OE1 3.31Å; F8-E12 WeakPolarHBondContact CE1-OE1 3.02Å; F8-E12 VanDerWaalsContact CE1-OE2 3.28Å; F8-E12 WeakPolarHBondContact CE1-OE2 3.2Å; F8-E12 HydrophobicContact CE2-CG 4.33Å; F8-E12 HydrophobicContact CZ-CG 3.83Å; F8-E12 WeakPolarHBondContact CZ-OE1 3.47Å; F8-E12 PolarHBondContact O-N 2.99Å; F8-M34 HydrophobicContact CD2-SD 4.25Å; F8-M34 HydrophobicContact CE2-CB 4.5Å; F8-M34 HydrophobicContact CE2-CG 4.08Å; F8-M34 HydrophobicContact CE2-SD 3.59Å; F8-M34 VanDerWaalsContact CE2-SD 3.59Å; F8-M34 HydrophobicContact CZ-CG 4.41Å; F8-M34 HydrophobicContact CZ-SD 4.47Å
9G65.6Low59.1Low31 Ų31103.5 Ų103.532%0.3255%0.552SS.*Hα-helixtrans-65-32.817700000113.9D7 T13D7-G9 VanDerWaalsContact C-N 3.26Å; D7-G9 PolarHBondContact O-N 3.35Å; G9-T13 WeakPolarHBondContact O-CB 3.41Å; G9-T13 PolarHBondContact O-N 3.39Å; G9-T13 PolarHBondContact O-OG1 3.38Å
10E70.8Confident59.5Low128 Ų128104.6 Ų104.660%0.59855%0.553SS**Hα-helixtrans-70.7-38.3175.7-64.6-174.5147.100111.4D7 F8 T13 F14D7-E10 HydrophobicContact CB-CG 4.23Å; D7-E10 PolarHBondContact O-N 3.2Å; F8-E10 VanDerWaalsContact C-N 3.33Å; F8-E10 PolarHBondContact O-N 3.2Å; E10-T13 PolarHBondContact O-N 3.11Å; E10-F14 WeakPolarHBondContact O-CB 3.37Å; E10-F14 PolarHBondContact O-N 2.76Å
11V68.6Low60Low27 Ų27103.1 Ų103.116%0.16455%0.545CS..Hα-helixtrans-69.4-42.5177.8-178.60000111.5L6 D7 F8 F14 L15 Y25L6-V11 HydrophobicContact CB-CG2 4.48Å; D7-V11 PolarHBondContact O-N 2.76Å; F8-V11 PolarHBondContact O-N 2.66Å; V11-F14 PolarHBondContact O-N 3.37Å; V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 HydrophobicContact CG1-CG 4.4Å; V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.38Å; V11-L15 PolarHBondContact O-N 3.46Å; V11-Y25 HydrophobicContact CG1-CE1 4.2Å; V11-Y25 HydrophobicContact CG1-CE2 3.91Å
12E66.4Low61.7Low28 Ų2893 Ų9313%0.13150%0.495CS..Hα-helixtrans-60.3-48172.6-69.5-169125.900110.9F8 F14 L15 D16 R41F8-E12 HydrophobicContact CD1-CG 4.24Å; F8-E12 HydrophobicContact CE1-CG 3.79Å; F8-E12 VanDerWaalsContact CE1-OE1 3.31Å; F8-E12 WeakPolarHBondContact CE1-OE1 3.02Å; F8-E12 VanDerWaalsContact CE1-OE2 3.28Å; F8-E12 WeakPolarHBondContact CE1-OE2 3.2Å; F8-E12 HydrophobicContact CE2-CG 4.33Å; F8-E12 HydrophobicContact CZ-CG 3.83Å; F8-E12 WeakPolarHBondContact CZ-OE1 3.47Å; F8-E12 PolarHBondContact O-N 2.99Å; E12-F14 PolarHBondContact O-N 3.13Å; E12-L15 PolarHBondContact O-N 3.02Å; E12-L15 VanDerWaalsContact O-N 3.15Å; E12-D16 WeakPolarHBondContact O-CB 3.34Å; E12-D16 VanDerWaalsContact O-CG 3.28Å; E12-D16 PolarHBondContact O-N 2.9Å; E12-R41 IonicContact OE1-CZ 3.73Å; E12-R41 IonicContact OE1-NH1 3.71Å; E12-R41 PolarHBondContact OE1-NH1 3.3Å; E12-R41 IonicContact OE2-CZ 2.68Å; E12-R41 IonicContact OE2-NH1 2.82Å; E12-R41 PolarHBondContact OE2-NH1 3.35Å; E12-R41 IonicContact OE2-NH2 3.9Å
13T72.2Confident63.3Low71 Ų7195.1 Ų95.144%0.43649%0.486SS..Hα-helixtrans-62.9-29.5178.9-52.70000113G9 E10 R17G9-T13 WeakPolarHBondContact O-CB 3.41Å; G9-T13 PolarHBondContact O-N 3.39Å; G9-T13 PolarHBondContact O-OG1 3.38Å; E10-T13 PolarHBondContact O-N 3.11Å; T13-R17 WeakPolarHBondContact O-CG 3.38Å
14F74.8Confident65Low108 Ų10893.7 Ų93.747%0.47447%0.465SS..Hα-helixtrans-72.9-46.3173.6178.5-93.6000111.7E10 V11 E12 R17 H18 L21E10-F14 WeakPolarHBondContact O-CB 3.37Å; E10-F14 PolarHBondContact O-N 2.76Å; V11-F14 PolarHBondContact O-N 3.37Å; E12-F14 PolarHBondContact O-N 3.13Å; F14-R17 PolarHBondContact O-N 2.89Å; F14-R17 VanDerWaalsContact O-N 3.13Å; F14-H18 AromaticContact CD2-CD2 3.91Å; F14-H18 HydrophobicContact CE1-CB 4.36Å; F14-H18 AromaticContact CE2-CD2 3.54Å; F14-H18 AromaticContact CE2-NE2 4Å; F14-H18 AromaticContact CZ-CD2 3.68Å; F14-H18 PolarHBondContact O-CD2 2.89Å; F14-H18 PolarHBondContact O-N 2.78Å; F14-L21 HydrophobicContact CE1-CD1 4.04Å; F14-L21 HydrophobicContact CZ-CD1 4.19Å
15L74.9Confident66.6Low13 Ų1392.3 Ų92.37%0.06844%0.444CS..Hα-helixtrans-67.4-36.2-179.8-70.8172.6000112.6V11 E12 R17 H18 F22 Y25V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 HydrophobicContact CG1-CG 4.4Å; V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.38Å; V11-L15 PolarHBondContact O-N 3.46Å; E12-L15 PolarHBondContact O-N 3.02Å; E12-L15 VanDerWaalsContact O-N 3.15Å; L15-R17 PolarHBondContact O-N 3.22Å; L15-H18 CarbonylContact O-C 3.56Å; L15-H18 PolarHBondContact O-N 3.31Å; L15-F22 HydrophobicContact CB-CD2 4.2Å; L15-F22 HydrophobicContact CD1-CD2 4.09Å; L15-Y25 HydrophobicContact CD1-CD1 3.5Å; L15-Y25 VanDerWaalsContact CD1-CD1 3.5Å; L15-Y25 HydrophobicContact CD1-CE1 3.86Å; L15-Y25 HydrophobicContact CD1-CG 3.92Å; L15-Y25 HydrophobicContact CD2-CG 4.27Å
16D72.4Confident67.8Low88 Ų8882.7 Ų82.747%0.47141%0.411SS..THydrogen-bonded Turntrans-65.8-18.3173.9-67.5-14.1000112.5E12 W38 H42E12-D16 WeakPolarHBondContact O-CB 3.34Å; E12-D16 VanDerWaalsContact O-CG 3.28Å; E12-D16 PolarHBondContact O-N 2.9Å; D16-W38 PolarHBondContact OD1-NE1 3.46Å; D16-H42 IonicContact OD1-CE1 2.9Å; D16-H42 IonicContact OD1-NE2 2.93Å
17R70.1Confident68.1Low189 Ų18983.7 Ų83.771%0.71341%0.414SS*.THydrogen-bonded Turntrans-95.8-15.2172.2-67.3176.1-174.4-175.74113.7T13 F14 L15 P19T13-R17 WeakPolarHBondContact O-CG 3.38Å; F14-R17 PolarHBondContact O-N 2.89Å; F14-R17 VanDerWaalsContact O-N 3.13Å; L15-R17 PolarHBondContact O-N 3.22Å; R17-P19 VanDerWaalsContact C-CD 3.5Å
18H69.8Low68.4Low70 Ų7087 Ų8732%0.32442%0.419SS..  trans-133.761.2-177.1-69.7-68.7000110.9F14 L15 E20 L21F14-H18 AromaticContact CD2-CD2 3.91Å; F14-H18 HydrophobicContact CE1-CB 4.36Å; F14-H18 AromaticContact CE2-CD2 3.54Å; F14-H18 AromaticContact CE2-NE2 4Å; F14-H18 AromaticContact CZ-CD2 3.68Å; F14-H18 PolarHBondContact O-CD2 2.89Å; F14-H18 PolarHBondContact O-N 2.78Å; L15-H18 CarbonylContact O-C 3.56Å; L15-H18 PolarHBondContact O-N 3.31Å; H18-E20 WeakPolarHBondContact CA-OE2 3.39Å; H18-E20 WeakPolarHBondContact CB-OE1 3.22Å; H18-E20 IonicContact CG-OE1 3.11Å; H18-E20 IonicContact ND1-OE1 2.73Å; H18-E20 PolarHBondContact ND1-OE1 2.82Å; H18-E20 PolarHBondContact O-N 3.15Å; H18-E20 VanDerWaalsContact O-N 3.13Å; H18-L21 HydrophobicContact CB-CB 4.39Å; H18-L21 HydrophobicContact CB-CD1 4.03Å; H18-L21 HydrophobicContact CB-CG 4.22Å; H18-L21 PolarHBondContact O-N 3.44Å
19P73Confident68.6Low93 Ų9390.4 Ų90.460%0.60443%0.434SS*.G310 helixtrans-60.5-23.9-176.125.7-35.4000113R17 L21 F22R17-P19 VanDerWaalsContact C-CD 3.5Å; P19-L21 PolarHBondContact O-N 2.92Å; P19-F22 VanDerWaalsContact O-CB 3.28Å; P19-F22 WeakPolarHBondContact O-CB 3.14Å; P19-F22 PolarHBondContact O-N 2.98Å
20E67.9Low68.6Low125 Ų12590.5 Ų90.558%0.58443%0.434SS*.G310 helixtrans-64-22.4172.871.6-72.9173.500114H18H18-E20 WeakPolarHBondContact CA-OE2 3.39Å; H18-E20 WeakPolarHBondContact CB-OE1 3.22Å; H18-E20 IonicContact CG-OE1 3.11Å; H18-E20 IonicContact ND1-OE1 2.73Å; H18-E20 PolarHBondContact ND1-OE1 2.82Å; H18-E20 PolarHBondContact O-N 3.15Å; H18-E20 VanDerWaalsContact O-N 3.13Å
21L69.3Low68.4Low74 Ų7491.6 Ų91.639%0.38744%0.437SS..G310 helixtrans-96.3-6178-58-177.8000113.1F14 H18 P19 D24 Y25F14-L21 HydrophobicContact CE1-CD1 4.04Å; F14-L21 HydrophobicContact CZ-CD1 4.19Å; H18-L21 HydrophobicContact CB-CB 4.39Å; H18-L21 HydrophobicContact CB-CD1 4.03Å; H18-L21 HydrophobicContact CB-CG 4.22Å; H18-L21 PolarHBondContact O-N 3.44Å; P19-L21 PolarHBondContact O-N 2.92Å; L21-D24 PolarHBondContact O-N 2.78Å; L21-Y25 WeakPolarHBondContact O-CB 3.5Å; L21-Y25 PolarHBondContact O-N 2.78Å
22F70.5Confident67.8Low34 Ų3497.2 Ų97.215%0.14946%0.461CS..Hα-helixtrans-63.9-43-175.5-176.2-110.9000112.8L15 P19 Y25 L26 W38L15-F22 HydrophobicContact CB-CD2 4.2Å; L15-F22 HydrophobicContact CD1-CD2 4.09Å; P19-F22 VanDerWaalsContact O-CB 3.28Å; P19-F22 WeakPolarHBondContact O-CB 3.14Å; P19-F22 PolarHBondContact O-N 2.98Å; F22-Y25 PolarHBondContact O-N 3.14Å; F22-L26 HydrophobicContact CD1-CD1 3.87Å; F22-L26 HydrophobicContact CE1-CD1 3.36Å; F22-L26 HydrophobicContact CE1-CG 4.31Å; F22-L26 HydrophobicContact CE2-CD1 4.3Å; F22-L26 HydrophobicContact CE2-CG 4.44Å; F22-L26 HydrophobicContact CZ-CD1 3.6Å; F22-L26 HydrophobicContact CZ-CG 4.18Å; F22-L26 WeakPolarHBondContact O-CB 3.42Å; F22-L26 WeakPolarHBondContact O-CG 3.39Å; F22-L26 PolarHBondContact O-N 3.37Å; F22-W38 HydrophobicContact CD1-CH2 4.35Å; F22-W38 HydrophobicContact CD1-CZ2 4.34Å; F22-W38 AromaticContact CE1-CD2 3.9Å; F22-W38 HydrophobicContact CE1-CD2 3.9Å; F22-W38 AromaticContact CE1-CE2 3.97Å; F22-W38 AromaticContact CE1-CE3 3.77Å; F22-W38 HydrophobicContact CE1-CE3 3.77Å; F22-W38 AromaticContact CE1-CH2 3.82Å; F22-W38 HydrophobicContact CE1-CH2 3.82Å; F22-W38 AromaticContact CE1-CZ2 3.94Å; F22-W38 HydrophobicContact CE1-CZ2 3.94Å; F22-W38 AromaticContact CE1-CZ3 3.73Å; F22-W38 HydrophobicContact CE1-CZ3 3.73Å; F22-W38 AromaticContact CE2-CD1 3.75Å; F22-W38 AromaticContact CE2-CD2 3.78Å; F22-W38 HydrophobicContact CE2-CD2 3.78Å; F22-W38 AromaticContact CE2-CE2 3.65Å; F22-W38 HydrophobicContact CE2-CE3 4.46Å; F22-W38 AromaticContact CE2-CG 3.84Å; F22-W38 HydrophobicContact CE2-CG 3.84Å; F22-W38 HydrophobicContact CE2-CZ2 4.24Å; F22-W38 AromaticContact CE2-NE1 3.63Å; F22-W38 HydrophobicContact CZ-CB 4.33Å; F22-W38 AromaticContact CZ-CD1 3.99Å; F22-W38 AromaticContact CZ-CD2 3.22Å; F22-W38 HydrophobicContact CZ-CD2 3.22Å; F22-W38 AromaticContact CZ-CE2 3.44Å; F22-W38 VanDerWaalsContact CZ-CE2 3.44Å; F22-W38 AromaticContact CZ-CE3 3.49Å; F22-W38 HydrophobicContact CZ-CE3 3.49Å; F22-W38 VanDerWaalsContact CZ-CE3 3.49Å; F22-W38 AromaticContact CZ-CG 3.61Å; F22-W38 HydrophobicContact CZ-CG 3.61Å; F22-W38 HydrophobicContact CZ-CH2 4.13Å; F22-W38 AromaticContact CZ-CZ2 3.91Å; F22-W38 HydrophobicContact CZ-CZ2 3.91Å; F22-W38 AromaticContact CZ-CZ3 3.94Å; F22-W38 HydrophobicContact CZ-CZ3 3.94Å; F22-W38 AromaticContact CZ-NE1 3.89Å
23E63Low67.7Low150 Ų150102.9 Ų102.970%0.70149%0.488SS*.Hα-helixtrans-65.1-46.3179.1-170.9173.5-171.900111.7Y25 L26 M27E23-Y25 PolarHBondContact O-N 3.18Å; E23-L26 PolarHBondContact O-N 3.4Å; E23-M27 WeakPolarHBondContact O-CB 3.22Å; E23-M27 VanDerWaalsContact O-CG 3.28Å; E23-M27 WeakPolarHBondContact O-CG 3.31Å; E23-M27 PolarHBondContact O-N 3.02Å
24D67Low67.1Low71 Ų71101.5 Ų101.538%0.3848%0.477SS..Hα-helixtrans-69.3-32.6179.7-165.336.3000112.2L21 R28L21-D24 PolarHBondContact O-N 2.78Å; D24-R28 VanDerWaalsContact CG-NE 3.3Å; D24-R28 WeakPolarHBondContact O-CB 3.44Å; D24-R28 VanDerWaalsContact O-CG 3.25Å; D24-R28 WeakPolarHBondContact O-CG 3.34Å; D24-R28 PolarHBondContact O-N 3.27Å; D24-R28 IonicContact OD1-CZ 3.47Å; D24-R28 IonicContact OD1-NE 3.84Å; D24-R28 PolarHBondContact OD1-NE 2.95Å; D24-R28 IonicContact OD1-NH2 2.7Å; D24-R28 PolarHBondContact OD1-NH2 3.14Å; D24-R28 IonicContact OD2-CZ 3.66Å; D24-R28 IonicContact OD2-NE 3.68Å; D24-R28 PolarHBondContact OD2-NE 2.71Å; D24-R28 IonicContact OD2-NH1 3.29Å; D24-R28 IonicContact OD2-NH2 3.73Å; D24-R28 PolarHBondContact OD2-NH2 3.43Å
25Y71.9Confident66.5Low74 Ų7498.6 Ų98.629%0.2947%0.468SS..Hα-helixtrans-65.5-46.9170.4179.1-96.7000112.1V11 L15 L21 F22 E23 M27 R28 K29V11-Y25 HydrophobicContact CG1-CE1 4.2Å; V11-Y25 HydrophobicContact CG1-CE2 3.91Å; L15-Y25 HydrophobicContact CD1-CD1 3.5Å; L15-Y25 VanDerWaalsContact CD1-CD1 3.5Å; L15-Y25 HydrophobicContact CD1-CE1 3.86Å; L15-Y25 HydrophobicContact CD1-CG 3.92Å; L15-Y25 HydrophobicContact CD2-CG 4.27Å; L21-Y25 WeakPolarHBondContact O-CB 3.5Å; L21-Y25 PolarHBondContact O-N 2.78Å; F22-Y25 PolarHBondContact O-N 3.14Å; E23-Y25 PolarHBondContact O-N 3.18Å; Y25-M27 PolarHBondContact O-N 3.04Å; Y25-R28 PolarHBondContact O-N 2.92Å; Y25-K29 HydrophobicContact CE2-CB 4.13Å; Y25-K29 PolarHBondContact O-N 3.48Å
26L67.7Low65.9Low45 Ų45102.4 Ų102.424%0.23649%0.485CS..Hα-helixtrans-59.1-46.5176.2-84.1175.6000111.8F22 E23 R28 G30 V35F22-L26 HydrophobicContact CD1-CD1 3.87Å; F22-L26 HydrophobicContact CE1-CD1 3.36Å; F22-L26 HydrophobicContact CE1-CG 4.31Å; F22-L26 HydrophobicContact CE2-CD1 4.3Å; F22-L26 HydrophobicContact CE2-CG 4.44Å; F22-L26 HydrophobicContact CZ-CD1 3.6Å; F22-L26 HydrophobicContact CZ-CG 4.18Å; F22-L26 WeakPolarHBondContact O-CB 3.42Å; F22-L26 WeakPolarHBondContact O-CG 3.39Å; F22-L26 PolarHBondContact O-N 3.37Å; E23-L26 PolarHBondContact O-N 3.4Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.39Å; L26-G30 WeakPolarHBondContact O-CA 3.19Å; L26-G30 PolarHBondContact O-N 3.34Å; L26-V35 HydrophobicContact CD2-CG2 3.71Å
27M56.5Low65.4Low157 Ų157103.9 Ų103.977%0.77349%0.488SS*.Hα-helixtrans-64.7-28.1-179.3-71.3-63.8-73.500113.4E23 Y25E23-M27 WeakPolarHBondContact O-CB 3.22Å; E23-M27 VanDerWaalsContact O-CG 3.28Å; E23-M27 WeakPolarHBondContact O-CG 3.31Å; E23-M27 PolarHBondContact O-N 3.02Å; Y25-M27 PolarHBondContact O-N 3.04Å
28R63.8Low65.1Low173 Ų17397.9 Ų97.965%0.65347%0.465SS*.Hα-helixtrans-97.8-29-177.5-65.3177.3-165.6-159.86.9114.9D24 Y25 L26D24-R28 VanDerWaalsContact CG-NE 3.3Å; D24-R28 WeakPolarHBondContact O-CB 3.44Å; D24-R28 VanDerWaalsContact O-CG 3.25Å; D24-R28 WeakPolarHBondContact O-CG 3.34Å; D24-R28 PolarHBondContact O-N 3.27Å; D24-R28 IonicContact OD1-CZ 3.47Å; D24-R28 IonicContact OD1-NE 3.84Å; D24-R28 PolarHBondContact OD1-NE 2.95Å; D24-R28 IonicContact OD1-NH2 2.7Å; D24-R28 PolarHBondContact OD1-NH2 3.14Å; D24-R28 IonicContact OD2-CZ 3.66Å; D24-R28 IonicContact OD2-NE 3.68Å; D24-R28 PolarHBondContact OD2-NE 2.71Å; D24-R28 IonicContact OD2-NH1 3.29Å; D24-R28 IonicContact OD2-NH2 3.73Å; D24-R28 PolarHBondContact OD2-NH2 3.43Å; Y25-R28 PolarHBondContact O-N 2.92Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.39Å
29K65.2Low64.9Low150 Ų15099.1 Ų99.165%0.65247%0.474SS*.Hα-helixtrans-140.3-2.8-171.3-63.9-64174-170.10114.6Y25 M34Y25-K29 HydrophobicContact CE2-CB 4.13Å; Y25-K29 PolarHBondContact O-N 3.48Å; K29-M34 VanDerWaalsContact O-CE 3.24Å; K29-M34 WeakPolarHBondContact O-CE 3.18Å
30G65.3Low64.6Low32 Ų32101 Ų10133%0.3347%0.474SS..  trans-61135.7179.600000113.3L26L26-G30 WeakPolarHBondContact O-CA 3.19Å; L26-G30 PolarHBondContact O-N 3.34Å
31K66.2Low64.3Low151 Ų151102.1 Ų102.166%0.65747%0.473SS*.  trans-119.1145.7166.2-68.9-176176.4-175.50107.6E33 M34 V35K31-E33 VanDerWaalsContact C-N 3.31Å; K31-E33 PolarHBondContact O-N 2.74Å; K31-M34 HydrophobicContact CB-CE 4.18Å; K31-M34 HydrophobicContact CB-CG 4.42Å; K31-M34 HydrophobicContact CG-CE 4.46Å; K31-M34 VanDerWaalsContact N-CE 3.33Å; K31-M34 WeakPolarHBondContact O-CB 3.47Å; K31-M34 PolarHBondContact O-N 3.02Å; K31-V35 PolarHBondContact O-N 2.76Å
32Q56.7Low63.9Low145 Ų145102.9 Ų102.968%0.67848%0.475SS*.Hα-helixtrans-47.6-48.3-174.5-176.3179.2-18.200113.6M34 V35 E36Q32-M34 PolarHBondContact O-N 2.93Å; Q32-V35 WeakPolarHBondContact O-CB 3.44Å; Q32-V35 PolarHBondContact O-N 3.15Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.32Å; Q32-E36 PolarHBondContact NE2-OE1 2.75Å; Q32-E36 PolarHBondContact O-N 3.44Å
33E63Low62.8Low148 Ų148105.6 Ų105.669%0.69250%0.498SS*.Hα-helixtrans-58.2-29.9179-61.1-179.114800114.2K31 K37K31-E33 VanDerWaalsContact C-N 3.31Å; K31-E33 PolarHBondContact O-N 2.74Å; E33-K37 PolarHBondContact O-N 3.26Å
34M60.9Low62Low41 Ų41107 Ų10720%0.20251%0.505CS..Hα-helixtrans-74.5-38.5177.3-57.7-165.7-60.300110.9F8 K29 K31 Q32 K37 W38F8-M34 HydrophobicContact CD2-SD 4.25Å; F8-M34 HydrophobicContact CE2-CB 4.5Å; F8-M34 HydrophobicContact CE2-CG 4.08Å; F8-M34 HydrophobicContact CE2-SD 3.59Å; F8-M34 VanDerWaalsContact CE2-SD 3.59Å; F8-M34 HydrophobicContact CZ-CG 4.41Å; F8-M34 HydrophobicContact CZ-SD 4.47Å; K29-M34 VanDerWaalsContact O-CE 3.24Å; K29-M34 WeakPolarHBondContact O-CE 3.18Å; K31-M34 HydrophobicContact CB-CE 4.18Å; K31-M34 HydrophobicContact CB-CG 4.42Å; K31-M34 HydrophobicContact CG-CE 4.46Å; K31-M34 VanDerWaalsContact N-CE 3.33Å; K31-M34 WeakPolarHBondContact O-CB 3.47Å; K31-M34 PolarHBondContact O-N 3.02Å; Q32-M34 PolarHBondContact O-N 2.93Å; M34-K37 PolarHBondContact O-N 2.95Å; M34-W38 PolarHBondContact O-N 2.95Å
35V61.8Low60.9Low47 Ų47106.8 Ų106.829%0.28552%0.519SS..Hα-helixtrans-65.2-45.6177.6-159.50000110.3L26 K31 Q32 K37 W38 L39L26-V35 HydrophobicContact CD2-CG2 3.71Å; K31-V35 PolarHBondContact O-N 2.76Å; Q32-V35 WeakPolarHBondContact O-CB 3.44Å; Q32-V35 PolarHBondContact O-N 3.15Å; V35-K37 PolarHBondContact O-N 2.57Å; V35-W38 PolarHBondContact O-N 2.84Å; V35-L39 HydrophobicContact CG1-CD1 4.02Å; V35-L39 HydrophobicContact CG1-CG 4.48Å; V35-L39 WeakPolarHBondContact O-CB 3.3Å; V35-L39 VanDerWaalsContact O-CG 3.29Å; V35-L39 WeakPolarHBondContact O-CG 3.26Å; V35-L39 PolarHBondContact O-N 3.23Å
36E61.8Low59.4Low93 Ų93112.8 Ų112.844%0.43555%0.55SS..Hα-helixtrans-61.8-42.2178.5-71.9174.3-172.500112.1Q32 Q40Q32-E36 WeakPolarHBondContact CG-OE1 3.32Å; Q32-E36 PolarHBondContact NE2-OE1 2.75Å; Q32-E36 PolarHBondContact O-N 3.44Å; E36-Q40 WeakPolarHBondContact O-CB 3.49Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.26Å; E36-Q40 PolarHBondContact O-N 2.92Å
37K63.1Low58Low119 Ų119114.5 Ų114.552%0.51758%0.578SS.*Hα-helixtrans-64.9-42.8175-83.1180176.51720113.3E33 M34 V35 Q40 R41E33-K37 PolarHBondContact O-N 3.26Å; M34-K37 PolarHBondContact O-N 2.95Å; V35-K37 PolarHBondContact O-N 2.57Å; K37-Q40 PolarHBondContact O-N 3.09Å; K37-R41 PolarHBondContact O-N 2.87Å; K37-R41 VanDerWaalsContact O-N 3.14Å
38W63.3Low56.7Low63 Ų63111.8 Ų111.824%0.23958%0.581CS.*Hα-helixtrans-66.1-42.4179.2-173.191.2000111.3D16 F22 M34 V35 R41 H42D16-W38 PolarHBondContact OD1-NE1 3.46Å; F22-W38 HydrophobicContact CD1-CH2 4.35Å; F22-W38 HydrophobicContact CD1-CZ2 4.34Å; F22-W38 AromaticContact CE1-CD2 3.9Å; F22-W38 HydrophobicContact CE1-CD2 3.9Å; F22-W38 AromaticContact CE1-CE2 3.97Å; F22-W38 AromaticContact CE1-CE3 3.77Å; F22-W38 HydrophobicContact CE1-CE3 3.77Å; F22-W38 AromaticContact CE1-CH2 3.82Å; F22-W38 HydrophobicContact CE1-CH2 3.82Å; F22-W38 AromaticContact CE1-CZ2 3.94Å; F22-W38 HydrophobicContact CE1-CZ2 3.94Å; F22-W38 AromaticContact CE1-CZ3 3.73Å; F22-W38 HydrophobicContact CE1-CZ3 3.73Å; F22-W38 AromaticContact CE2-CD1 3.75Å; F22-W38 AromaticContact CE2-CD2 3.78Å; F22-W38 HydrophobicContact CE2-CD2 3.78Å; F22-W38 AromaticContact CE2-CE2 3.65Å; F22-W38 HydrophobicContact CE2-CE3 4.46Å; F22-W38 AromaticContact CE2-CG 3.84Å; F22-W38 HydrophobicContact CE2-CG 3.84Å; F22-W38 HydrophobicContact CE2-CZ2 4.24Å; F22-W38 AromaticContact CE2-NE1 3.63Å; F22-W38 HydrophobicContact CZ-CB 4.33Å; F22-W38 AromaticContact CZ-CD1 3.99Å; F22-W38 AromaticContact CZ-CD2 3.22Å; F22-W38 HydrophobicContact CZ-CD2 3.22Å; F22-W38 AromaticContact CZ-CE2 3.44Å; F22-W38 VanDerWaalsContact CZ-CE2 3.44Å; F22-W38 AromaticContact CZ-CE3 3.49Å; F22-W38 HydrophobicContact CZ-CE3 3.49Å; F22-W38 VanDerWaalsContact CZ-CE3 3.49Å; F22-W38 AromaticContact CZ-CG 3.61Å; F22-W38 HydrophobicContact CZ-CG 3.61Å; F22-W38 HydrophobicContact CZ-CH2 4.13Å; F22-W38 AromaticContact CZ-CZ2 3.91Å; F22-W38 HydrophobicContact CZ-CZ2 3.91Å; F22-W38 AromaticContact CZ-CZ3 3.94Å; F22-W38 HydrophobicContact CZ-CZ3 3.94Å; F22-W38 AromaticContact CZ-NE1 3.89Å; M34-W38 PolarHBondContact O-N 2.95Å; V35-W38 PolarHBondContact O-N 2.84Å; W38-R41 PolarHBondContact O-N 2.81Å; W38-H42 AromaticContact CD1-CE1 3.75Å; W38-H42 AromaticContact CD1-ND1 3.74Å; W38-H42 AromaticContact CD2-ND1 3.52Å; W38-H42 AromaticContact CE2-CE1 3.44Å; W38-H42 VanDerWaalsContact CE2-CE1 3.44Å; W38-H42 AromaticContact CE2-CG 3.93Å; W38-H42 AromaticContact CE2-ND1 3.27Å; W38-H42 VanDerWaalsContact CE2-ND1 3.27Å; W38-H42 AromaticContact CG-ND1 3.83Å; W38-H42 HydrophobicContact CH2-CB 4.44Å; W38-H42 AromaticContact CZ2-CE1 3.83Å; W38-H42 AromaticContact CZ2-CG 3.89Å; W38-H42 AromaticContact CZ2-ND1 3.7Å; W38-H42 HydrophobicContact CZ3-CB 4.38Å; W38-H42 AromaticContact NE1-CE1 3.17Å; W38-H42 PolarHBondContact NE1-CE1 2.82Å; W38-H42 AromaticContact NE1-ND1 3.4Å; W38-H42 PolarHBondContact NE1-ND1 2.94Å; W38-H42 PolarHBondContact O-N 3.02Å; W38-H42 PolarHBondContact O-ND1 3.38Å
39L65Low55.3Low96 Ų96112.2 Ų112.250%0.50360%0.595SS.*Hα-helixtrans-63.2-40.8174.2-72.7169.9000112.6V35 R41 H42 S43V35-L39 HydrophobicContact CG1-CD1 4.02Å; V35-L39 HydrophobicContact CG1-CG 4.48Å; V35-L39 WeakPolarHBondContact O-CB 3.3Å; V35-L39 VanDerWaalsContact O-CG 3.29Å; V35-L39 WeakPolarHBondContact O-CG 3.26Å; V35-L39 PolarHBondContact O-N 3.23Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.33Å; L39-H42 PolarHBondContact O-N 3.37Å; L39-S43 WeakPolarHBondContact O-CB 3.32Å; L39-S43 PolarHBondContact O-N 3.14Å; L39-S43 PolarHBondContact O-OG 3.24Å
40Q66.8Low53.7Low132 Ų132108.3 Ų108.362%0.61760%0.597SS**Hα-helixtrans-60.8-39.5175-80178.25.100112.4E36 K37 S43E36-Q40 WeakPolarHBondContact O-CB 3.49Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.26Å; E36-Q40 PolarHBondContact O-N 2.92Å; K37-Q40 PolarHBondContact O-N 3.09Å; Q40-S43 PolarHBondContact O-OG 2.87Å; Q40-S43 VanDerWaalsContact O-OG 3.13Å
41R60.9Low52.2Low150 Ų150113.2 Ų113.257%0.56662%0.623SS**Hα-helixtrans-70.3-41.7176.8-73.1172.5170.1156.3-16.6112.8E12 K37 W38 L39E12-R41 IonicContact OE1-CZ 3.73Å; E12-R41 IonicContact OE1-NH1 3.71Å; E12-R41 PolarHBondContact OE1-NH1 3.3Å; E12-R41 IonicContact OE2-CZ 2.68Å; E12-R41 IonicContact OE2-NH1 2.82Å; E12-R41 PolarHBondContact OE2-NH1 3.35Å; E12-R41 IonicContact OE2-NH2 3.9Å; K37-R41 PolarHBondContact O-N 2.87Å; K37-R41 VanDerWaalsContact O-N 3.14Å; W38-R41 PolarHBondContact O-N 2.81Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.33Å
42H60.8Low50.3Low90 Ų90117.5 Ų117.542%0.41764%0.635SS.*Hα-helixtrans-84.1-19.7-175.3-73.788.2000114.4D16 W38 L39 Q44 G45D16-H42 IonicContact OD1-CE1 2.9Å; D16-H42 IonicContact OD1-NE2 2.93Å; W38-H42 AromaticContact CD1-CE1 3.75Å; W38-H42 AromaticContact CD1-ND1 3.74Å; W38-H42 AromaticContact CD2-ND1 3.52Å; W38-H42 AromaticContact CE2-CE1 3.44Å; W38-H42 VanDerWaalsContact CE2-CE1 3.44Å; W38-H42 AromaticContact CE2-CG 3.93Å; W38-H42 AromaticContact CE2-ND1 3.27Å; W38-H42 VanDerWaalsContact CE2-ND1 3.27Å; W38-H42 AromaticContact CG-ND1 3.83Å; W38-H42 HydrophobicContact CH2-CB 4.44Å; W38-H42 AromaticContact CZ2-CE1 3.83Å; W38-H42 AromaticContact CZ2-CG 3.89Å; W38-H42 AromaticContact CZ2-ND1 3.7Å; W38-H42 HydrophobicContact CZ3-CB 4.38Å; W38-H42 AromaticContact NE1-CE1 3.17Å; W38-H42 PolarHBondContact NE1-CE1 2.82Å; W38-H42 AromaticContact NE1-ND1 3.4Å; W38-H42 PolarHBondContact NE1-ND1 2.94Å; W38-H42 PolarHBondContact O-N 3.02Å; W38-H42 PolarHBondContact O-ND1 3.38Å; L39-H42 PolarHBondContact O-N 3.37Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.31Å; H42-G45 PolarHBondContact O-N 3.17Å
43S48.3Very low49.1Very low91 Ų91116.1 Ų116.164%0.63664%0.639SS**THydrogen-bonded Turntrans-68.3-18176.859.20000114.9L39 Q40 G45L39-S43 WeakPolarHBondContact O-CB 3.32Å; L39-S43 PolarHBondContact O-N 3.14Å; L39-S43 PolarHBondContact O-OG 3.24Å; Q40-S43 PolarHBondContact O-OG 2.87Å; Q40-S43 VanDerWaalsContact O-OG 3.13Å; S43-G45 VanDerWaalsContact C-N 3.34Å
44Q45.8Very low47.3Very low180 Ų180114.3 Ų114.384%0.84164%0.642SS**THydrogen-bonded Turntrans-86.11179.1-63.2-164.4-3.200114.3H42H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.31Å
45G43.6Very low45.7Very low66 Ų66121 Ų12168%0.6868%0.678SS**SBendtrans-85.8-12.8-170.400000117.6H42 S43H42-G45 PolarHBondContact O-N 3.17Å; S43-G45 VanDerWaalsContact C-N 3.34Å
46Q41.4Very low44.1Very low200 Ų200123.7 Ų123.794%0.93571%0.705SS**SBendtrans-127.978.3-172.3-66.2-169.25.700112.7
47G37.9Very low42.5Very low80 Ų80122.1 Ų122.183%0.82571%0.714SS**  trans178.937.4-179.600000118.6
48A30.2Very low40.8Very low101 Ų101122.5 Ų122.584%0.83573%0.726SS**  trans-149.7116.4169.500000113.3
49L33.9Very low39Very low182 Ų182125 Ų12595%0.95375%0.753SS**PPolyproline II helixtrans-71.4149.6163.9-80152.1000110.2
50G31.7Very low37.2Very low67 Ų67125.3 Ų125.369%0.69176%0.763SS**PPolyproline II helixtrans-64.3162-171.800000115.8
51P32.3Very low35.3Very low136 Ų136127 Ų12788%0.88378%0.776SS**PPolyproline II helixtrans-79.9142.9-167.631.7-35.8000114.1
52R26.8Very low33.7Very low241 Ų241123.9 Ų123.991%0.90978%0.783SS**PPolyproline II helixtrans-97145.2155.1-85.7-175.1170.7-176.4-2.1109.9
53P31Very low32.1Very low116 Ų116128.6 Ų128.675%0.75380%0.804SS**PPolyproline II helixtrans-83.4138.2-171.732.6-35.2000113.9
54S26.3Very low31Very low110 Ų110128.7 Ų128.777%0.76981%0.805SS**  trans36.7122.3144.963.50000120.9
55L27.1Very low30.1Very low181 Ų181126.2 Ų126.295%0.94880%0.802SS**  trans-145.3142137.7-109.7154.2000109.5
56A28.3Very low29.1Very low103 Ų103128.5 Ų128.585%0.85181%0.807SS**  trans-98159.9-170.300000112.9
57G27.3Very low28.5Very low60 Ų60129.1 Ų129.162%0.61981%0.806SS**  trans152.583.9174.800000112.4
58T28.1Very low27.9Very low128 Ų128129.3 Ų129.379%0.78581%0.808SS**  74.3114101.154.60000116.5
59S26.5Very low27.7Very low114 Ų114128 Ų12880%0.79781%0.805SS**  trans51.2143.5138.5670000120.3
60S26.8Very low27.6Very low103 Ų103125 Ų12572%0.7280%0.799SS**  cis-167.9155.72954.50000114
61L27.4Very low27.4Very low167 Ų167127 Ų12787%0.87480%0.802SS**  trans28.4145.7137.5-75.2150.3000124.6
62A26.8Very low27.4Very low86 Ų86129 Ų12971%0.71180%0.804SS**  trans75.5118.8146.800000118.4
63H26.8Very low27.4Very low188 Ų188120.9 Ų120.987%0.8780%0.795SS**  90.6126.861.8-104.5-60000115.1
64S25.1Very low27.3Very low94 Ų94119.8 Ų119.866%0.65781%0.805SS**  trans94.9108.4142.3800000122.1
65T26Very low27.3Very low127 Ų127118 Ų11878%0.77980%0.804SS**  67.5148.8120.458.10000125.2
66C24.3Very low27.4Very low115 Ų115118.1 Ų118.178%0.77780%0.804SS**  trans78120.2158-67.70000117.6
67K27.7Very low27.4Very low212 Ų212116.1 Ų116.192%0.92279%0.793SS**  81.6111.662-89.9-167.2173.1-177.70114.9
68G26Very low28.4Very low84 Ų84118.7 Ų118.787%0.86680%0.799SS**  121.2114.8125.400000121
69G26.3Very low28.5Very low74 Ų74120.6 Ų120.676%0.76380%0.804SS**  trans80.6167.9148.600000119.1
70S30.1Very low28.6Very low118 Ų118118.5 Ų118.583%0.82580%0.801SS**  cis-175.5157.7-15.5-84.80000110.7
71S27.9Very low28.6Very low110 Ų110119.2 Ų119.277%0.76981%0.806SS**  trans131.7123.6160.860.20000113.4
72I33.2Very low28.6Very low177 Ų177115.3 Ų115.391%0.90880%0.798SS**  87.5130.654.4-65.6160.1000111.1
73G27.2Very low28.7Very low71 Ų71120 Ų12073%0.73281%0.805SS**  cis-162.61698.800000109.6
74G27.7Very low28.7Very low93 Ų93116.2 Ų116.296%0.95980%0.799SS**  82.4128.180.700000113.8
75G26.8Very low28.8Very low73 Ų73119.8 Ų119.875%0.75381%0.806SS**  cis173.6-164.7-0.800000112.9
76I29.2Very low29.1Very low184 Ų184119.8 Ų119.894%0.94481%0.808SS**  trans86.5139.4165.4-54.1164.7000119.8
77G28.8Very low29.3Very low61 Ų61121.2 Ų121.263%0.62981%0.807SS**  trans-139.9171.6159.500000110.1
78P48.1Very low29.9Very low113 Ų113116.2 Ų116.273%0.73480%0.796SS**  -163.9178.110242.4-21.7000119
79N30.6Very low29.9Very low168 Ų168118 Ų11890%0.89880%0.795SS**  trans60.8160.5162.1-57.9-16.4000118.1
80G27.5Very low29.8Very low71 Ų71118.2 Ų118.273%0.73280%0.798SS**  cis163.7161.8-3.400000109
81S28Very low29.6Very low117 Ų117116.5 Ų116.582%0.81880%0.798SS**  cis-179.7146-8.550.50000113.5
82A27.4Very low29.5Very low86 Ų86118.7 Ų118.771%0.71180%0.802SS**  trans86.2163.3147.500000124.3
83H28.2Very low29Very low184 Ų184115.8 Ų115.885%0.85280%0.796SS**  trans82.5141.8178.1-58.5-74.2000118.6
84S26.6Very low28.8Very low109 Ų109116.3 Ų116.376%0.76280%0.801SS**  cis-168.9158.9-17.246.30000111.1
85Q27.6Very low28.6Very low168 Ų168115.8 Ų115.879%0.78580%0.796SS**  trans-74.3171.8171.2-57.8-171.4-27.200112.6
86P31.7Very low28.8Very low127 Ų127118.6 Ų118.683%0.82580%0.798SS**  -144.7158.884.236.2-18000117.4
87L28.3Very low29Very low146 Ų146115.2 Ų115.276%0.76479%0.788SS**  trans-91.1159.6156-96.5164.5000108.5
88P40.5Very low28.8Very low107 Ų107119.2 Ų119.270%0.69579%0.794SS**  -160-178.671.341.8-19.7000119.1
89S25.8Very low27.7Very low120 Ų120118.9 Ų118.984%0.83979%0.794SS**  trans64.4148.9152.7550000120.2
90G25Very low28.1Very low79 Ų79116 Ų11681%0.81479%0.785SS**  cis149.7136.4-5.100000112.8
91G25.2Very low27.9Very low82 Ų82117.5 Ų117.585%0.84579%0.785SS**  trans93.1153.917800000114.8
92D25.3Very low27.8Very low157 Ų157124.5 Ų124.584%0.8479%0.793SS**  cis-157.7-176-6.9-151-13000111.7
93C24Very low27.6Very low115 Ų115125.1 Ų125.178%0.77780%0.798SS**  trans-71.8144.3-162.7-60.20000118.3
94G23.5Very low27.5Very low83 Ų83122.4 Ų122.486%0.85680%0.8SS**  80.6161.6117.800000121.6
95G23.6Very low27.4Very low81 Ų81120.6 Ų120.684%0.83580%0.798SS**  trans118.7108.1152.700000118
96V30Very low27.3Very low133 Ų133118.7 Ų118.781%0.80680%0.804SS**  trans-90.3147.7164.8-173.30000109.4
97P34Very low27Very low113 Ų113124.5 Ų124.573%0.73481%0.809SS**  -136.6135.8114.911.611.1000112.6
98L24.8Very low26.9Very low144 Ų144121.3 Ų121.375%0.75481%0.812SS**  67.899.578-66.6167.1000114.4
99S25.2Very low26.2Very low106 Ų106124.8 Ų124.874%0.74183%0.825SS**  96.7171.998.974.70000112.9
100P37.8Very low26.2Very low108 Ų108122 Ų12270%0.70182%0.815SS**  cis-119.3150.9-5.432.2-12.8000114.1
101S23.2Very low26.2Very low103 Ų103126.2 Ų126.272%0.7282%0.819SS**  62.311382.8131.20000116.5
102W25.3Very low26.3Very low263 Ų263130.2 Ų130.2100%0.99682%0.82SS**  trans-140.4144.5143.4-91.277.5000108.2
103A24.9Very low26.4Very low99 Ų99131.7 Ų131.782%0.81882%0.822SS**  trans-138138-169.900000113.2
104S25.6Very low26.7Very low127 Ų127138 Ų13889%0.88883%0.829SS**  trans177.8138.7156.1-174.40000107.2
105G23.7Very low27Very low71 Ų71145.8 Ų145.873%0.73283%0.833SS**  cis146.793.1-1.800000111.8
106S25.6Very low27.4Very low129 Ų129146.4 Ų146.490%0.90283%0.83SS**  trans-163.4163155.8-156.30000112.7
107R26.7Very low27.8Very low248 Ų248143.9 Ų143.994%0.93682%0.818SS**  trans-93.1152.9-169.1-64.7171.4169.5178.4-5113.1
108G25.8Very low28Very low79 Ų79146 Ų14681%0.81482%0.818SS**  trans-179.5110.5165.500000111.7
109D26.1Very low28.5Very low181 Ų181147 Ų14797%0.96882%0.816SS**  trans-75.4145.2178.3-139.3-28.3000110.8
110G25.8Very low29.2Very low61 Ų61146.9 Ų146.963%0.62980%0.804SS**  trans163.473-176.100000116.4L112G110-L112 PolarHBondContact O-N 3.1Å
111N25Very low29.1Very low168 Ų168147.7 Ų147.790%0.89880%0.802SS**  trans-73.984.2177-127.7-13.6000111.8
112L26Very low29.9Very low165 Ų165152.1 Ų152.186%0.86480%0.803SS**  trans-103.691173.1-89.2167.5000111.4G110 R114G110-L112 PolarHBondContact O-N 3.1Å; L112-R114 PolarHBondContact O-N 3.44Å; L112-R114 VanDerWaalsContact O-N 3.14Å
113Q28.7Very low30.5Very low189 Ų189145.3 Ų145.388%0.88378%0.78SS**  trans-65.2108.7172.6-114.6171.8-9.800110.6R115Q113-R115 PolarHBondContact O-N 3.18Å
114R28.6Very low31.1Very low247 Ų247144 Ų14493%0.93277%0.765SS**PPolyproline II helixtrans-62.3124.6172.9-85.7-176.7169.9-179.5-2.8110.4L112 A116L112-R114 PolarHBondContact O-N 3.44Å; L112-R114 VanDerWaalsContact O-N 3.14Å; R114-A116 PolarHBondContact O-N 2.88Å
115R30.7Very low31.5Very low247 Ų247145.7 Ų145.793%0.93276%0.756SS**PPolyproline II helixtrans-58.1130172.8-72.4176.1169.6175.3-4.4110.8Q113Q113-R115 PolarHBondContact O-N 3.18Å
116A31.1Very low32.1Very low94 Ų94145.7 Ų145.778%0.77775%0.749SS**PPolyproline II helixtrans-68.1141.9169.200000110.7R114R114-A116 PolarHBondContact O-N 2.88Å
117S39.6Very low32.6Very low80 Ų80149.5 Ų149.556%0.55974%0.744SS**PPolyproline II helixtrans-70.4148.7-177.2780000112.6K119 E120S117-K119 PolarHBondContact O-N 3.03Å; S117-E120 PolarHBondContact O-N 2.87Å
118Q37.5Very low32.9Very low156 Ų156142.5 Ų142.573%0.72973%0.733SS**Hα-helixtrans-57.8-10.4177.9-70.9178.2-19.700114.5
119K36.4Very low33.3Very low165 Ų165147.9 Ų147.972%0.71773%0.734SS**Hα-helixtrans-75.7-28-178.9-152.9172.3-172176.10113.3S117S117-K119 PolarHBondContact O-N 3.03Å
120E39.3Very low33.7Very low104 Ų104143.2 Ų143.249%0.48672%0.721SS.*Hα-helixtrans-85.1-30.7178-84.4-55.7147.100113.8S117 R122 K123 S124S117-E120 PolarHBondContact O-N 2.87Å; E120-R122 PolarHBondContact O-N 3.42Å; E120-K123 PolarHBondContact O-N 3.09Å; E120-K123 VanDerWaalsContact OE1-CD 3.27Å; E120-K123 WeakPolarHBondContact OE1-CD 3.27Å; E120-K123 IonicContact OE1-NZ 2.8Å; E120-K123 PolarHBondContact OE1-NZ 3.15Å; E120-K123 WeakPolarHBondContact OE2-CB 3.24Å; E120-S124 PolarHBondContact O-N 2.95Å
121L36.6Very low34.1Very low125 Ų125147.2 Ų147.265%0.65473%0.726SS**Hα-helixtrans-60-31.1173.2-78.3164.4000112.5S124 F125L121-S124 PolarHBondContact O-OG 2.98Å; L121-F125 WeakPolarHBondContact O-CB 2.97Å; L121-F125 PolarHBondContact O-N 2.99Å
122R39.4Very low34.2Very low197 Ų197148.4 Ų148.474%0.74373%0.726SS**Hα-helixtrans-74.1-29.7174.8-65.4-176.3-179.4-174.50.6112.9E120 A126E120-R122 PolarHBondContact O-N 3.42Å; R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 2.91Å
123K38.5Very low34.3Very low120 Ų120146.5 Ų146.552%0.52272%0.721SS.*Hα-helixtrans-78.2-37.7176.6-87.3177.8174.3179.40113.2E120 R127E120-K123 PolarHBondContact O-N 3.09Å; E120-K123 VanDerWaalsContact OE1-CD 3.27Å; E120-K123 WeakPolarHBondContact OE1-CD 3.27Å; E120-K123 IonicContact OE1-NZ 2.8Å; E120-K123 PolarHBondContact OE1-NZ 3.15Å; E120-K123 WeakPolarHBondContact OE2-CB 3.24Å; K123-R127 PolarHBondContact O-N 3.3Å
124S36.3Very low34.2Very low70 Ų70144.6 Ų144.649%0.4972%0.717SS.*Hα-helixtrans-66.4-41.8174.964.20000111.4E120 L121 A126 R127 S128E120-S124 PolarHBondContact O-N 2.95Å; L121-S124 PolarHBondContact O-OG 2.98Å; S124-A126 PolarHBondContact O-N 2.75Å; S124-R127 PolarHBondContact O-N 3.48Å; S124-S128 PolarHBondContact O-N 2.88Å
125F35.1Very low34.1Very low163 Ų163144.9 Ų144.972%0.71572%0.718SS**Hα-helixtrans-62-42.6176.9-161.9-100.9000112.5L121 R127 S128L121-F125 WeakPolarHBondContact O-CB 2.97Å; L121-F125 PolarHBondContact O-N 2.99Å; F125-R127 VanDerWaalsContact C-N 3.35Å; F125-R127 PolarHBondContact O-N 2.8Å; F125-S128 PolarHBondContact O-N 3.22Å
126A35.4Very low34Very low71 Ų71139.6 Ų139.659%0.58771%0.713SS**Hα-helixtrans-64.7-33.6177.400000113.6R122 S124R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 2.91Å; S124-A126 PolarHBondContact O-N 2.75Å
127R36Very low33.7Very low210 Ų210145.3 Ų145.379%0.79272%0.716SS**Hα-helixtrans-75-25.4176.9-74-177.1176-173.5-1.6113.4K123 S124 F125 K129K123-R127 PolarHBondContact O-N 3.3Å; S124-R127 PolarHBondContact O-N 3.48Å; F125-R127 VanDerWaalsContact C-N 3.35Å; F125-R127 PolarHBondContact O-N 2.8Å; R127-K129 VanDerWaalsContact C-N 3.28Å; R127-K129 PolarHBondContact O-N 3.43Å
128S34.1Very low33Very low100 Ų100149.1 Ų149.170%0.69973%0.73SS**THydrogen-bonded Turntrans-72.2-15.4-176.9-168.50000114.5S124 F125S124-S128 PolarHBondContact O-N 2.88Å; F125-S128 PolarHBondContact O-N 3.22Å
129K33.6Very low32.3Very low193 Ų193148.7 Ų148.784%0.83973%0.728SS**THydrogen-bonded Turntrans-98.12.2-171.6-137.8178.4-175.5-177.90114.7R127R127-K129 VanDerWaalsContact C-N 3.28Å; R127-K129 PolarHBondContact O-N 3.43Å
130A34.2Very low31.8Very low83 Ų83149.5 Ų149.569%0.68674%0.735SS**SBendtrans-114.73.1-167.600000115.8
131I33.6Very low31.2Very low144 Ų144149.5 Ų149.574%0.73875%0.752SS**  trans-131.186.8-177.9-52.8178.9000110.3
132H27.8Very low30.7Very low193 Ų193150.5 Ų150.589%0.89476%0.764SS**  trans-161.963.4155.8-100.7-58.8000111.3
133V27.9Very low30.2Very low126 Ų126146.1 Ų146.176%0.76476%0.763SS**SBendtrans-134.7123164.8179.90000108.7
134N26.6Very low29.6Very low149 Ų149151.9 Ų151.980%0.79778%0.782SS**  trans52.1105.2166.4-61.1-15.8000119.2
135R27.1Very low29.3Very low253 Ų253153.4 Ų153.496%0.95580%0.798SS**  -173.6115.9125.7-104.7167.5-178.2-178.3-0111.4
136T28.1Very low29.3Very low135 Ų135155.2 Ų155.283%0.82881%0.809SS**  trans-124.799.6163.945.90000108.1
137Y24.2Very low29.1Very low215 Ų215158.6 Ų158.684%0.84381%0.813SS**  trans-179.3120.6157.4-108.4-74.4000106.9
138D25.4Very low29Very low160 Ų160153.2 Ų153.286%0.85681%0.805SS**  -159.6161.1120.2-136.7-28.6000111.1
139E23.6Very low29.1Very low147 Ų147156.3 Ų156.369%0.68781%0.813SS**  trans-102.6-175.5-168.2-63.7-173.3127.500114.1
140Q25.5Very low29.3Very low182 Ų182150.5 Ų150.585%0.8580%0.797SS**  trans83.392.8160.5-50.4-169.87.300119.2
141A27.1Very low29.8Very low104 Ų104147.8 Ų147.886%0.8677%0.773SS**  -164110.4127.400000111.5
142T25.9Very low30.1Very low146 Ų146145.7 Ų145.790%0.89677%0.766SS**  trans-80.2161.5164.548.70000109.5
143S27.6Very low30.6Very low105 Ų105146.5 Ų146.573%0.73476%0.761SS**  cis-146.8160.3-6.961.90000106
144R26.7Very low31.1Very low240 Ų240149 Ų14991%0.90676%0.757SS**  177.3170.464.9-139.5176.7-175.6-176.81.7108.5
145A30.5Very low31.8Very low102 Ų102148.6 Ų148.684%0.84375%0.745SS**  trans79.6134.9175.400000117.4
146Q35.4Very low32.5Very low201 Ų201139.5 Ų139.594%0.93972%0.724SS**  trans-85.9128.9-174-66.9161.1-5700111.4
147E30.9Very low33Very low143 Ų143139.3 Ų139.367%0.66872%0.717SS**  trans-111.5150.5162.6-91-153.7163.500111.4S151E147-S151 WeakPolarHBondContact OE2-CB 3.2Å; E147-S151 PolarHBondContact OE2-OG 3.38Å
148P33.4Very low33.7Very low97 Ų97134.9 Ų134.963%0.6371%0.707SS**  trans-70.5149.9176.6-15.330.4000113.3S150 S151P148-S150 PolarHBondContact O-N 2.89Å; P148-S151 PolarHBondContact O-N 2.87Å
149L35.3Very low34.5Very low165 Ų165136.6 Ų136.686%0.86470%0.702SS**THydrogen-bonded Turntrans-59.43.8-177.8-73.1161.1000116.4
150S39.5Very low35.2Very low71 Ų71138.2 Ų138.250%0.49771%0.706SS.*Hα-helixtrans-81.7-22.4176.366.30000114P148P148-S150 PolarHBondContact O-N 2.89Å
151S43.3Very low35.8Very low26 Ų26132.8 Ų132.818%0.18269%0.693CS.*Hα-helixtrans-81.1-17.2-174.8870000114.4E147 P148 R155E147-S151 WeakPolarHBondContact OE2-CB 3.2Å; E147-S151 PolarHBondContact OE2-OG 3.38Å; P148-S151 PolarHBondContact O-N 2.87Å; S151-R155 PolarHBondContact O-NE 2.86Å; S151-R155 PolarHBondContact OG-NH2 3.35Å
152V39.8Very low36.4Very low99 Ų99132.3 Ų132.360%0.668%0.683SS**Hα-helixtrans-80.1-44.1178.4-178.60000111.6R154 R155 A156V152-R154 VanDerWaalsContact C-N 3.26Å; V152-R154 PolarHBondContact O-N 2.98Å; V152-R155 PolarHBondContact O-N 2.8Å; V152-A156 PolarHBondContact O-N 3.43Å
153R39.8Very low37.2Very low210 Ų210130 Ų13079%0.79267%0.673SS**Hα-helixtrans-61.1-35.4178.3-131.4176.2-170.4172.83112R155 A156R153-R155 PolarHBondContact O-N 2.55Å; R153-A156 PolarHBondContact O-N 3.27Å
154R38.3Very low37.8Very low178 Ų178130.9 Ų130.967%0.67267%0.669SS**Hα-helixtrans-65.7-34178.4-147.1-179.9-70.1-178.2-3112.9V152V152-R154 VanDerWaalsContact C-N 3.26Å; V152-R154 PolarHBondContact O-N 2.98Å
155R40.3Very low38.5Very low142 Ų142124.2 Ų124.254%0.53666%0.656SS.*Hα-helixtrans-82.8-10.9177.8-85.9180-80.8-161.5-6115.1S151 V152 R153 R159S151-R155 PolarHBondContact O-NE 2.86Å; S151-R155 PolarHBondContact OG-NH2 3.35Å; V152-R155 PolarHBondContact O-N 2.8Å; R153-R155 PolarHBondContact O-N 2.55Å; R155-R159 PolarHBondContact O-NE 2.9Å
156A41.9Very low38.9Very low62 Ų62125.2 Ų125.251%0.51265%0.654SS.*Hα-helixtrans-82.8-43173.800000111.9V152 R153 R159V152-A156 PolarHBondContact O-N 3.43Å; R153-A156 PolarHBondContact O-N 3.27Å; A156-R159 PolarHBondContact O-N 2.8Å
157L37.8Very low39.3Very low131 Ų131119.4 Ų119.469%0.68663%0.633SS**Hα-helixtrans-65.8-44.6179.5-73.8164.6000112.5R159 K160 A161L157-R159 PolarHBondContact O-N 2.9Å; L157-K160 PolarHBondContact O-N 2.96Å; L157-A161 PolarHBondContact O-N 3.22Å
158L39.5Very low39.8Very low122 Ų122118 Ų11864%0.63963%0.634SS**Hα-helixtrans-61.7-29.1179.5-71.1169.3000113.6K160 A161L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 2.9Å; L158-A161 PolarHBondContact O-N 3.19Å
159R41.3Very low40.3Very low196 Ų196116.7 Ų116.774%0.7463%0.631SS**Hα-helixtrans-76.9-12.5175.6-87-170.6-81.7-169.2-3.7114.4R155 A156 L157 S162R155-R159 PolarHBondContact O-NE 2.9Å; A156-R159 PolarHBondContact O-N 2.8Å; L157-R159 PolarHBondContact O-N 2.9Å; R159-S162 PolarHBondContact O-OG 2.81Å
160K38.4Very low40.8Very low180 Ų180114.2 Ų114.278%0.78362%0.615SS**Hα-helixtrans-91.9-17.5173.8-138.9-178.8-176.7-170.80112.7L157 L158L157-K160 PolarHBondContact O-N 2.96Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 2.9Å
161A38.7Very low41.2Very low69 Ų69115.9 Ų115.957%0.5762%0.617SS**Hα-helixtrans-89.9-13.1177.300000113.8L157 L158 S163L157-A161 PolarHBondContact O-N 3.22Å; L158-A161 PolarHBondContact O-N 3.19Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.12Å
162S40.1Very low41.1Very low94 Ų94119.7 Ų119.766%0.65764%0.635SS**THydrogen-bonded Turntrans-85.28.9-173.754.30000115.5R159R159-S162 PolarHBondContact O-OG 2.81Å
163S42.7Very low41.2Very low98 Ų98117.9 Ų117.969%0.68563%0.627SS**THydrogen-bonded Turntrans-1094.4-176.8630000115A161A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.12Å
164L40.9Very low41.4Very low122 Ų122110.7 Ų110.764%0.63961%0.612SS**SBendtrans-132.8147.7177.6-72.1171.9000110.1
165P39.8Very low41.5Very low100 Ų100107.8 Ų107.865%0.64961%0.609SS**  trans-66.8144.1-174.326.6-34.2000112.1T167P165-T167 PolarHBondContact O-N 3.46Å
166P40.1Very low41.7Very low123 Ų123107.8 Ų107.880%0.79962%0.619SS**  trans-74.3112.7-168.529.7-34.8000111.5
167T43.3Very low41.7Very low79 Ų79112.6 Ų112.649%0.48563%0.631SS.*  trans-119.5140.2164.243.30000109.2P165 A169 H170P165-T167 PolarHBondContact O-N 3.46Å; T167-A169 PolarHBondContact O-N 3.35Å; T167-H170 PolarHBondContact O-N 2.95Å; T167-H170 PolarHBondContact OG1-ND1 3.02Å
168T41.8Very low41.7Very low115 Ų115109.3 Ų109.371%0.70662%0.619SS**Hα-helixtrans-56.2-27.5-167.9-24.90000113.7I171 L172T168-I171 PolarHBondContact O-N 3.08Å; T168-L172 PolarHBondContact O-N 2.79Å
169A43.7Very low42.1Very low68 Ų68115.3 Ų115.356%0.56263%0.633SS**Hα-helixtrans-63.5-3617600000114T167 I171 L172 S173T167-A169 PolarHBondContact O-N 3.35Å; A169-I171 VanDerWaalsContact C-N 3.34Å; A169-I171 PolarHBondContact O-N 2.76Å; A169-L172 PolarHBondContact O-N 3.38Å; A169-S173 PolarHBondContact O-N 2.95Å
170H45.9Very low41.7Very low114 Ų114110.8 Ų110.853%0.52863%0.627SS.*Hα-helixtrans-69.8-33.1-178.5-75.194.1000112.4T167 A174T167-H170 PolarHBondContact O-N 2.95Å; T167-H170 PolarHBondContact OG1-ND1 3.02Å; H170-A174 WeakPolarHBondContact O-CB 3.25Å; H170-A174 PolarHBondContact O-N 3.37Å; H170-A174 VanDerWaalsContact O-N 3.12Å
171I47.1Very low41.6Very low106 Ų106109.8 Ų109.854%0.54463%0.63SS.*Hα-helixtrans-68.5-42.6175.3-62.2171.7000110T168 A169 A174 L175T168-I171 PolarHBondContact O-N 3.08Å; A169-I171 VanDerWaalsContact C-N 3.34Å; A169-I171 PolarHBondContact O-N 2.76Å; I171-A174 PolarHBondContact O-N 3.46Å; I171-L175 HydrophobicContact CG2-CD1 4.02Å; I171-L175 WeakPolarHBondContact O-CD1 3.25Å; I171-L175 VanDerWaalsContact O-CG 3.27Å; I171-L175 WeakPolarHBondContact O-CG 3.33Å; I171-L175 PolarHBondContact O-N 2.72Å
172L41.1Very low41.2Very low105 Ų105112.8 Ų112.855%0.5564%0.636SS.*Hα-helixtrans-64.5-43.3176-84.8158.7000112.7T168 A169 A174 L175 L176T168-L172 PolarHBondContact O-N 2.79Å; A169-L172 PolarHBondContact O-N 3.38Å; L172-A174 PolarHBondContact O-N 2.91Å; L172-L175 PolarHBondContact O-N 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 3.01Å
173S42Very low40.7Very low62 Ų62113.1 Ų113.143%0.43464%0.636SS.*Hα-helixtrans-62.8-42.9177.1-160.60000112.2A169 L175 L176 E177A169-S173 PolarHBondContact O-N 2.95Å; S173-L175 VanDerWaalsContact C-N 3.29Å; S173-L175 PolarHBondContact O-N 2.93Å; S173-L176 PolarHBondContact O-N 3.31Å; S173-L176 VanDerWaalsContact O-N 3.15Å; S173-E177 PolarHBondContact O-N 3.33Å
174A43.5Very low40Very low59 Ų59117.8 Ų117.849%0.48865%0.647SS.*Hα-helixtrans-66.6-28.1176.100000113.6H170 I171 L172 S178H170-A174 WeakPolarHBondContact O-CB 3.25Å; H170-A174 PolarHBondContact O-N 3.37Å; H170-A174 VanDerWaalsContact O-N 3.12Å; I171-A174 PolarHBondContact O-N 3.46Å; L172-A174 PolarHBondContact O-N 2.91Å; A174-S178 WeakPolarHBondContact O-CB 3.34Å; A174-S178 PolarHBondContact O-N 2.68Å
175L42.3Very low39.5Very low116 Ų116120.7 Ų120.761%0.60765%0.651SS**Hα-helixtrans-75-30.8172.6-74.4166.2000112.5I171 L172 S173I171-L175 HydrophobicContact CG2-CD1 4.02Å; I171-L175 WeakPolarHBondContact O-CD1 3.25Å; I171-L175 VanDerWaalsContact O-CG 3.27Å; I171-L175 WeakPolarHBondContact O-CG 3.33Å; I171-L175 PolarHBondContact O-N 2.72Å; L172-L175 PolarHBondContact O-N 3.45Å; S173-L175 VanDerWaalsContact C-N 3.29Å; S173-L175 PolarHBondContact O-N 2.93Å
176L44.6Very low39Very low143 Ų143120.8 Ų120.875%0.74965%0.651SS**Hα-helixtrans-76.2-39177.1-73.2164.3000113L172 S173 S178L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 3.01Å; S173-L176 PolarHBondContact O-N 3.31Å; S173-L176 VanDerWaalsContact O-N 3.15Å; L176-S178 VanDerWaalsContact C-N 3.32Å
177E40.2Very low38.8Very low163 Ų163120.6 Ų120.676%0.76265%0.65SS**Hα-helixtrans-74.3-22.5176.2-71.1-168.3152.900113.5S173 R179S173-E177 PolarHBondContact O-N 3.33Å; E177-R179 PolarHBondContact O-N 2.87Å
178S38.9Very low39Very low61 Ų61120.1 Ų120.143%0.42765%0.647SS.*SBendtrans-6695.1168.8172.20000109.2A174 L176 V180A174-S178 WeakPolarHBondContact O-CB 3.34Å; A174-S178 PolarHBondContact O-N 2.68Å; L176-S178 VanDerWaalsContact C-N 3.32Å; S178-V180 PolarHBondContact O-N 3.45Å; S178-V180 WeakPolarHBondContact OG-CG2 3.4Å
179R47Very low40.1Very low248 Ų248117.8 Ų117.894%0.93664%0.64SS**  trans-62.774.7166.9-70.6-161.1-173.5-162.64.2110.9E177 N181E177-R179 PolarHBondContact O-N 2.87Å; R179-N181 PolarHBondContact O-N 2.88Å
180V34.5Very low41.2Very low102 Ų102117.5 Ų117.562%0.61863%0.628SS**  trans-64.9123.9161.1-178.10000105.7S178 L182S178-V180 PolarHBondContact O-N 3.45Å; S178-V180 WeakPolarHBondContact OG-CG2 3.4Å; V180-L182 PolarHBondContact O-N 3.21Å
181N34.7Very low42.2Very low158 Ų158116.5 Ų116.585%0.84563%0.627SS**  trans-58.4109.2162.4-82.8-17.2000106.4R179R179-N181 PolarHBondContact O-N 2.88Å
182L30.7Very low43.7Very low132 Ų132117.4 Ų117.469%0.69162%0.624SS**  trans-49.6136172.5-73.5162000107.8V180 Q184V180-L182 PolarHBondContact O-N 3.21Å; L182-Q184 PolarHBondContact O-N 2.93Å
183P29.5Very low45.5Very low102 Ų102113.1 Ų113.166%0.66260%0.601SS**  trans-53.8135.2171.425.1-33000107.5Y185P183-Y185 PolarHBondContact O-N 2.77Å
184Q28.9Very low47Very low195 Ų195112.3 Ų112.391%0.91160%0.595SS**  trans-55.9109.8174.5-74.3176.8-17.300107.1L182L182-Q184 PolarHBondContact O-N 2.93Å
185Y29.8Very low48.6Very low183 Ų183114.3 Ų114.372%0.71859%0.594SS**PPolyproline II helixtrans-57.1135.1176-86.7-96.9000107.5P183P183-Y185 PolarHBondContact O-N 2.77Å
186P28.5Very low50.4Low102 Ų102109.4 Ų109.466%0.66257%0.568SS**PPolyproline II helixtrans-58152.5165.729-34.3000108.1T188P186-T188 PolarHBondContact O-N 3.17Å
187P36.6Very low52.2Low119 Ų119105 Ų10577%0.77354%0.543SS*.SBendtrans-49.1136.7164.5-24.234.4000110.1
188T48.2Very low54Low69 Ų69105.4 Ų105.442%0.42354%0.542SS..  trans60.879.9160.148.10000119.2P186 I190 D191 Y192P186-T188 PolarHBondContact O-N 3.17Å; T188-I190 PolarHBondContact O-N 2.91Å; T188-D191 WeakPolarHBondContact CB-OD2 3.45Å; T188-D191 HydrophobicContact CG2-CB 4.48Å; T188-D191 WeakPolarHBondContact CG2-OD2 3.5Å; T188-D191 PolarHBondContact O-N 2.87Å; T188-D191 VanDerWaalsContact O-N 3.11Å; T188-D191 WeakPolarHBondContact OG1-CB 3.45Å; T188-D191 PolarHBondContact OG1-OD2 2.94Å; T188-Y192 PolarHBondContact O-N 2.91Å
189A64.2Low56Low66 Ų66109.1 Ų109.155%0.54555%0.553SS.*Hα-helixtrans-57.8-24.9157.600000113.6K193A189-K193 WeakPolarHBondContact O-CG 3.33Å; A189-K193 PolarHBondContact O-N 2.71Å
190I66.9Low57.9Low63 Ų63101.1 Ų101.132%0.32353%0.529SS..Hα-helixtrans-71.3-46.7170.9-67.6173.7000110.3T188 Y192 K193 C194 L231T188-I190 PolarHBondContact O-N 2.91Å; I190-Y192 VanDerWaalsContact C-N 3.3Å; I190-Y192 PolarHBondContact O-N 3.2Å; I190-K193 CarbonylContact O-C 3.6Å; I190-K193 WeakPolarHBondContact O-CA 3.43Å; I190-K193 WeakPolarHBondContact O-CB 3.22Å; I190-K193 PolarHBondContact O-N 3.2Å; I190-C194 PolarHBondContact O-N 3.27Å; I190-C194 PolarHBondContact O-SG 3.43Å; I190-L231 HydrophobicContact CG2-CD1 4.32Å; I190-L231 HydrophobicContact CG2-CD2 4.25Å
191D67Low60.1Low92 Ų92103.5 Ų103.549%0.49253%0.533SS..Hα-helixtrans-64-35.3179-60.7-1.6000112.1T188 K193 C194 H195T188-D191 WeakPolarHBondContact CB-OD2 3.45Å; T188-D191 HydrophobicContact CG2-CB 4.48Å; T188-D191 WeakPolarHBondContact CG2-OD2 3.5Å; T188-D191 PolarHBondContact O-N 2.87Å; T188-D191 VanDerWaalsContact O-N 3.11Å; T188-D191 WeakPolarHBondContact OG1-CB 3.45Å; T188-D191 PolarHBondContact OG1-OD2 2.94Å; D191-K193 VanDerWaalsContact C-N 3.3Å; D191-K193 PolarHBondContact O-N 2.71Å; D191-C194 PolarHBondContact O-N 3.09Å; D191-H195 VanDerWaalsContact O-CB 3.31Å; D191-H195 WeakPolarHBondContact O-CB 3.25Å; D191-H195 PolarHBondContact O-N 3.24Å
192Y77.9Confident62.4Low125 Ų125105.6 Ų105.649%0.4953%0.529SS..Hα-helixtrans-58.8-42.3170.6178.4-111.6000111.7T188 I190 H195 L196T188-Y192 PolarHBondContact O-N 2.91Å; I190-Y192 VanDerWaalsContact C-N 3.3Å; I190-Y192 PolarHBondContact O-N 3.2Å; Y192-H195 PolarHBondContact O-N 2.85Å; Y192-L196 HydrophobicContact CD1-CD1 4.06Å; Y192-L196 HydrophobicContact CE1-CD1 3.48Å; Y192-L196 VanDerWaalsContact CE1-CD1 3.48Å; Y192-L196 HydrophobicContact CE1-CG 4.18Å; Y192-L196 HydrophobicContact CE2-CD1 4.43Å; Y192-L196 HydrophobicContact CE2-CG 4.29Å; Y192-L196 WeakPolarHBondContact O-CG 3.38Å; Y192-L196 PolarHBondContact O-N 3.3Å
193K78.6Confident65Low15 Ų15102.6 Ų102.67%0.06551%0.511CS..Hα-helixtrans-68.2-40174.8-72.8172177.2-175.40112.1A189 I190 D191 H195 L196 K197 F204 L208 D211 F228A189-K193 WeakPolarHBondContact O-CG 3.33Å; A189-K193 PolarHBondContact O-N 2.71Å; I190-K193 CarbonylContact O-C 3.6Å; I190-K193 WeakPolarHBondContact O-CA 3.43Å; I190-K193 WeakPolarHBondContact O-CB 3.22Å; I190-K193 PolarHBondContact O-N 3.2Å; D191-K193 VanDerWaalsContact C-N 3.3Å; D191-K193 PolarHBondContact O-N 2.71Å; K193-H195 VanDerWaalsContact C-N 3.32Å; K193-H195 PolarHBondContact O-N 2.05Å; K193-L196 PolarHBondContact O-N 3.29Å; K193-K197 PolarHBondContact O-N 2.97Å; K193-F204 HydrophobicContact CB-CD2 4.23Å; K193-F204 HydrophobicContact CB-CE2 4.06Å; K193-F204 WeakPolarHBondContact O-CD2 3.49Å; K193-F204 WeakPolarHBondContact O-CE2 3.39Å; K193-L208 HydrophobicContact CD-CD2 3.79Å; K193-L208 HydrophobicContact CG-CD2 4.39Å; K193-D211 WeakPolarHBondContact CE-OD2 3.3Å; K193-D211 IonicContact NZ-OD2 3.63Å; K193-D211 PolarHBondContact NZ-OD2 2.65Å; K193-F228 HydrophobicContact CD-CE1 4.49Å
194C73.5Confident67.6Low45 Ų4598.4 Ų98.430%0.30448%0.483SS..Hα-helixtrans-64.1-35.4173.4-65.40000112.5I190 D191 K198I190-C194 PolarHBondContact O-N 3.27Å; I190-C194 PolarHBondContact O-SG 3.43Å; D191-C194 PolarHBondContact O-N 3.09Å; C194-K198 WeakPolarHBondContact O-CG 3.44Å; C194-K198 PolarHBondContact O-N 3.36Å
195H77.3Confident70.4Confident102 Ų10291.1 Ų91.147%0.47245%0.448SS..Hα-helixtrans-68.2-45.6172.3176.4-79.2000111D191 Y192 K193 K197 K198 H199D191-H195 VanDerWaalsContact O-CB 3.31Å; D191-H195 WeakPolarHBondContact O-CB 3.25Å; D191-H195 PolarHBondContact O-N 3.24Å; Y192-H195 PolarHBondContact O-N 2.85Å; K193-H195 VanDerWaalsContact C-N 3.32Å; K193-H195 PolarHBondContact O-N 2.05Å; H195-K197 VanDerWaalsContact C-N 3.35Å; H195-K197 PolarHBondContact O-N 2.89Å; H195-K198 PolarHBondContact O-N 3.36Å; H195-H199 AromaticContact CD2-CD2 3.63Å; H195-H199 AromaticContact CE1-CD2 3.68Å; H195-H199 AromaticContact CG-CD2 3.93Å; H195-H199 AromaticContact ND1-CD2 3.96Å; H195-H199 AromaticContact NE2-CD2 3.47Å; H195-H199 PolarHBondContact NE2-CD2 3.46Å; H195-H199 PolarHBondContact O-CD2 3.21Å; H195-H199 PolarHBondContact O-N 3.46Å; H195-H199 VanDerWaalsContact O-N 3.09Å
196L81.3Confident73Confident13 Ų1386.5 Ų86.57%0.06844%0.435CS..Hα-helixtrans-60.3-41.9173.5-72.9179.4000111.9Y192 K193 K198 H199 N200 Q203 F204Y192-L196 HydrophobicContact CD1-CD1 4.06Å; Y192-L196 HydrophobicContact CE1-CD1 3.48Å; Y192-L196 VanDerWaalsContact CE1-CD1 3.48Å; Y192-L196 HydrophobicContact CE1-CG 4.18Å; Y192-L196 HydrophobicContact CE2-CD1 4.43Å; Y192-L196 HydrophobicContact CE2-CG 4.29Å; Y192-L196 WeakPolarHBondContact O-CG 3.38Å; Y192-L196 PolarHBondContact O-N 3.3Å; K193-L196 PolarHBondContact O-N 3.29Å; L196-K198 PolarHBondContact O-N 2.97Å; L196-H199 PolarHBondContact O-N 3.42Å; L196-N200 CarbonylContact O-C 3.47Å; L196-N200 WeakPolarHBondContact O-CA 3.49Å; L196-N200 PolarHBondContact O-N 2.99Å; L196-Q203 HydrophobicContact CD1-CG 4.15Å; L196-Q203 HydrophobicContact CD2-CB 4.19Å; L196-Q203 HydrophobicContact CD2-CG 3.89Å; L196-F204 HydrophobicContact CB-CB 3.83Å; L196-F204 HydrophobicContact CB-CD2 4.36Å
197K81.2Confident75.8Confident49 Ų4983.3 Ų83.321%0.21341%0.412CS..Hα-helixtrans-55.4-38.6175.4-174.5178176.6177.10111.9K193 H195 F204 L231 M232 D234K193-K197 PolarHBondContact O-N 2.97Å; H195-K197 VanDerWaalsContact C-N 3.35Å; H195-K197 PolarHBondContact O-N 2.89Å; K197-F204 HydrophobicContact CB-CD1 4.15Å; K197-F204 HydrophobicContact CB-CD2 4Å; K197-F204 HydrophobicContact CB-CE1 4.11Å; K197-F204 HydrophobicContact CB-CE2 3.96Å; K197-F204 HydrophobicContact CB-CG 4.09Å; K197-F204 HydrophobicContact CB-CZ 4.01Å; K197-F204 HydrophobicContact CD-CE1 4.21Å; K197-F204 HydrophobicContact CD-CZ 4.09Å; K197-F204 HydrophobicContact CG-CD1 4.3Å; K197-F204 HydrophobicContact CG-CE1 4.01Å; K197-F204 HydrophobicContact CG-CZ 4.17Å; K197-L231 WeakPolarHBondContact CD-O 3.36Å; K197-L231 PolarHBondContact NZ-O 3.47Å; K197-M232 PolarHBondContact NZ-O 2.82Å; K197-M232 VanDerWaalsContact NZ-O 3.08Å; K197-D234 IonicContact NZ-OD1 3.71Å; K197-D234 PolarHBondContact NZ-OD1 3.04Å; K197-D234 IonicContact NZ-OD2 3.85Å; K197-D234 PolarHBondContact NZ-OD2 3.06Å
198K79.6Confident78.3Confident173 Ų17377.6 Ų77.675%0.75238%0.375SS*.Hα-helixtrans-82.2-22.1-178.9-69.9177.3-179.8-1800115.2C194 H195 L196C194-K198 WeakPolarHBondContact O-CG 3.44Å; C194-K198 PolarHBondContact O-N 3.36Å; H195-K198 PolarHBondContact O-N 3.36Å; L196-K198 PolarHBondContact O-N 2.97Å
199H81Confident80.2Confident139 Ų13975.3 Ų75.364%0.64436%0.36SS*.Hα-helixtrans-125.3-18-169.6-65.4-60.4000115.2H195 L196H195-H199 AromaticContact CD2-CD2 3.63Å; H195-H199 AromaticContact CE1-CD2 3.68Å; H195-H199 AromaticContact CG-CD2 3.93Å; H195-H199 AromaticContact ND1-CD2 3.96Å; H195-H199 AromaticContact NE2-CD2 3.47Å; H195-H199 PolarHBondContact NE2-CD2 3.46Å; H195-H199 PolarHBondContact O-CD2 3.21Å; H195-H199 PolarHBondContact O-N 3.46Å; H195-H199 VanDerWaalsContact O-N 3.09Å; L196-H199 PolarHBondContact O-N 3.42Å
200N85.4Confident81.3Confident80 Ų8077 Ų7743%0.42836%0.355SS..  trans-161.879.7179.4-169.6-20.7000111.2L196 R202 Q203 F204L196-N200 CarbonylContact O-C 3.47Å; L196-N200 WeakPolarHBondContact O-CA 3.49Å; L196-N200 PolarHBondContact O-N 2.99Å; N200-R202 PolarHBondContact O-N 3.05Å; N200-Q203 HydrophobicContact CB-CB 4.03Å; N200-Q203 VanDerWaalsContact CG-CB 3.4Å; N200-Q203 PolarHBondContact O-N 2.9Å; N200-Q203 WeakPolarHBondContact OD1-CB 3.36Å; N200-Q203 PolarHBondContact OD1-N 3.16Å; N200-F204 PolarHBondContact O-N 3.09Å
201E80.6Confident82.2Confident151 Ų15176.3 Ų76.371%0.70635%0.353SS*.Hα-helixtrans-55.3-36.1-178.6-63.9177.5159.800113.4F204 F205E201-F204 WeakPolarHBondContact O-CB 3.4Å; E201-F204 PolarHBondContact O-N 3.08Å; E201-F205 PolarHBondContact O-N 2.77Å
202R83.9Confident83.2Confident202 Ų20272 Ų7276%0.76233%0.329SS*.Hα-helixtrans-64.6-44176.7-176.8179.1177.6-175.4-0.2111.6N200 L206N200-R202 PolarHBondContact O-N 3.05Å; R202-L206 HydrophobicContact CG-CD1 4.26Å; R202-L206 VanDerWaalsContact O-CG 3.32Å; R202-L206 WeakPolarHBondContact O-CG 3.34Å; R202-L206 PolarHBondContact O-N 2.71Å; R202-L206 VanDerWaalsContact O-N 3.14Å
203Q84.3Confident83.6Confident70 Ų7069.3 Ų69.333%0.32733%0.329SS..Hα-helixtrans-71.1-35.4177.6-173.460.938.300111.7L196 N200 E207L196-Q203 HydrophobicContact CD1-CG 4.15Å; L196-Q203 HydrophobicContact CD2-CB 4.19Å; L196-Q203 HydrophobicContact CD2-CG 3.89Å; N200-Q203 HydrophobicContact CB-CB 4.03Å; N200-Q203 VanDerWaalsContact CG-CB 3.4Å; N200-Q203 PolarHBondContact O-N 2.9Å; N200-Q203 WeakPolarHBondContact OD1-CB 3.36Å; N200-Q203 PolarHBondContact OD1-N 3.16Å; Q203-E207 WeakPolarHBondContact O-CB 3.4Å; Q203-E207 PolarHBondContact O-N 3.01Å; Q203-E207 VanDerWaalsContact O-N 3.08Å
204F85.9Confident83.8Confident13 Ų1374.7 Ų74.76%0.05736%0.358CS..Hα-helixtrans-55.7-57.7170.7172.5-115.6000110.7K193 L196 K197 N200 E201 L206 E207 L208 L231 M232K193-F204 HydrophobicContact CB-CD2 4.23Å; K193-F204 HydrophobicContact CB-CE2 4.06Å; K193-F204 WeakPolarHBondContact O-CD2 3.49Å; K193-F204 WeakPolarHBondContact O-CE2 3.39Å; L196-F204 HydrophobicContact CB-CB 3.83Å; L196-F204 HydrophobicContact CB-CD2 4.36Å; K197-F204 HydrophobicContact CB-CD1 4.15Å; K197-F204 HydrophobicContact CB-CD2 4Å; K197-F204 HydrophobicContact CB-CE1 4.11Å; K197-F204 HydrophobicContact CB-CE2 3.96Å; K197-F204 HydrophobicContact CB-CG 4.09Å; K197-F204 HydrophobicContact CB-CZ 4.01Å; K197-F204 HydrophobicContact CD-CE1 4.21Å; K197-F204 HydrophobicContact CD-CZ 4.09Å; K197-F204 HydrophobicContact CG-CD1 4.3Å; K197-F204 HydrophobicContact CG-CE1 4.01Å; K197-F204 HydrophobicContact CG-CZ 4.17Å; N200-F204 PolarHBondContact O-N 3.09Å; E201-F204 WeakPolarHBondContact O-CB 3.4Å; E201-F204 PolarHBondContact O-N 3.08Å; F204-L206 PolarHBondContact O-N 2.95Å; F204-E207 PolarHBondContact O-N 3.08Å; F204-E207 VanDerWaalsContact O-N 3.16Å; F204-L208 HydrophobicContact CD1-CD1 4.34Å; F204-L208 HydrophobicContact CD2-CD1 4.41Å; F204-L208 HydrophobicContact CD2-CG 4.43Å; F204-L208 HydrophobicContact CE1-CD1 3.88Å; F204-L208 HydrophobicContact CE2-CD1 3.95Å; F204-L208 HydrophobicContact CE2-CD2 4.19Å; F204-L208 HydrophobicContact CE2-CG 4.28Å; F204-L208 HydrophobicContact CZ-CD1 3.67Å; F204-L208 HydrophobicContact CZ-CG 4.48Å; F204-L208 WeakPolarHBondContact O-CG 2.94Å; F204-L208 PolarHBondContact O-N 2.82Å; F204-L208 VanDerWaalsContact O-N 3.09Å; F204-L231 HydrophobicContact CZ-CB 4.5Å; F204-M232 HydrophobicContact CE1-CG 3.87Å; F204-M232 HydrophobicContact CZ-CG 4.07Å
205F86.1Confident84.4Confident43 Ų4373.4 Ų73.419%0.18935%0.349CS..Hα-helixtrans-57.4-45.1-178.9-173.3-90.2000112.9E201 E207 L208 V209 M232 M361 Y362 F365E201-F205 PolarHBondContact O-N 2.77Å; F205-E207 VanDerWaalsContact C-N 3.34Å; F205-E207 PolarHBondContact O-N 2.71Å; F205-L208 PolarHBondContact O-N 3.16Å; F205-V209 HydrophobicContact CD1-CG2 4.03Å; F205-V209 HydrophobicContact CE1-CG2 3.64Å; F205-V209 HydrophobicContact CZ-CG2 4Å; F205-V209 WeakPolarHBondContact O-CG2 3.47Å; F205-V209 PolarHBondContact O-N 3.3Å; F205-M232 HydrophobicContact CD2-CE 3.89Å; F205-M232 HydrophobicContact CE2-CE 3.99Å; F205-M361 HydrophobicContact CE2-CB 4.23Å; F205-M361 HydrophobicContact CZ-CB 4.34Å; F205-Y362 HydrophobicContact CE2-CD2 4.12Å; F205-Y362 HydrophobicContact CZ-CD2 4.48Å; F205-F365 HydrophobicContact CE1-CD2 4.26Å; F205-F365 AromaticContact CE1-CE2 3.82Å; F205-F365 HydrophobicContact CE1-CE2 3.82Å; F205-F365 HydrophobicContact CE1-CZ 4.42Å; F205-F365 AromaticContact CZ-CD2 3.91Å; F205-F365 HydrophobicContact CZ-CD2 3.91Å; F205-F365 AromaticContact CZ-CE2 3.71Å; F205-F365 HydrophobicContact CZ-CE2 3.71Å
206L85.8Confident84.8Confident85 Ų8572.1 Ų72.145%0.44535%0.345SS..Hα-helixtrans-62-39178.3-73.4172.1000112.8R202 F204 K210R202-L206 HydrophobicContact CG-CD1 4.26Å; R202-L206 VanDerWaalsContact O-CG 3.32Å; R202-L206 WeakPolarHBondContact O-CG 3.34Å; R202-L206 PolarHBondContact O-N 2.71Å; R202-L206 VanDerWaalsContact O-N 3.14Å; F204-L206 PolarHBondContact O-N 2.95Å; L206-K210 VanDerWaalsContact O-CB 3.23Å; L206-K210 WeakPolarHBondContact O-CB 3.3Å; L206-K210 PolarHBondContact O-N 3.38Å
207E86.9Confident85Confident35 Ų3575.5 Ų75.516%0.16436%0.363CS..Hα-helixtrans-70.6-35.1178.4-162.466.9-171.300111.7Q203 F204 F205 K210 D211Q203-E207 WeakPolarHBondContact O-CB 3.4Å; Q203-E207 PolarHBondContact O-N 3.01Å; Q203-E207 VanDerWaalsContact O-N 3.08Å; F204-E207 PolarHBondContact O-N 3.08Å; F204-E207 VanDerWaalsContact O-N 3.16Å; F205-E207 VanDerWaalsContact C-N 3.34Å; F205-E207 PolarHBondContact O-N 2.71Å; E207-K210 IonicContact OE1-NZ 3.39Å; E207-K210 PolarHBondContact OE1-NZ 2.67Å; E207-K210 WeakPolarHBondContact OE2-CD 3.49Å; E207-K210 IonicContact OE2-NZ 3.85Å; E207-K210 PolarHBondContact OE2-NZ 3.07Å; E207-D211 WeakPolarHBondContact O-CB 3.48Å; E207-D211 PolarHBondContact O-N 3.39Å
208L87.8Confident85.3Confident0 Ų075.5 Ų75.50%037%0.365CS..Hα-helixtrans-63.8-48.1173-59.3-175.5000111.9K193 F204 F205 K210 D211 I212 F228 M232 Y362K193-L208 HydrophobicContact CD-CD2 3.79Å; K193-L208 HydrophobicContact CG-CD2 4.39Å; F204-L208 HydrophobicContact CD1-CD1 4.34Å; F204-L208 HydrophobicContact CD2-CD1 4.41Å; F204-L208 HydrophobicContact CD2-CG 4.43Å; F204-L208 HydrophobicContact CE1-CD1 3.88Å; F204-L208 HydrophobicContact CE2-CD1 3.95Å; F204-L208 HydrophobicContact CE2-CD2 4.19Å; F204-L208 HydrophobicContact CE2-CG 4.28Å; F204-L208 HydrophobicContact CZ-CD1 3.67Å; F204-L208 HydrophobicContact CZ-CG 4.48Å; F204-L208 WeakPolarHBondContact O-CG 2.94Å; F204-L208 PolarHBondContact O-N 2.82Å; F204-L208 VanDerWaalsContact O-N 3.09Å; F205-L208 PolarHBondContact O-N 3.16Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.06Å; L208-D211 PolarHBondContact O-N 3.11Å; L208-I212 PolarHBondContact O-N 2.96Å; L208-F228 HydrophobicContact CB-CD2 3.89Å; L208-F228 HydrophobicContact CB-CE2 4.44Å; L208-F228 HydrophobicContact CB-CG 4.41Å; L208-F228 HydrophobicContact CD1-CB 4.22Å; L208-F228 HydrophobicContact CD2-CB 4.24Å; L208-F228 HydrophobicContact CD2-CD1 3.87Å; L208-F228 HydrophobicContact CD2-CD2 3.8Å; L208-F228 HydrophobicContact CD2-CE1 4.25Å; L208-F228 HydrophobicContact CD2-CE2 4.17Å; L208-F228 HydrophobicContact CD2-CG 3.69Å; L208-F228 HydrophobicContact CD2-CZ 4.42Å; L208-F228 HydrophobicContact CG-CD2 4.33Å; L208-F228 HydrophobicContact CG-CG 4.41Å; L208-M232 HydrophobicContact CD1-CG 3.65Å; L208-M232 HydrophobicContact CD1-SD 3.51Å; L208-M232 VanDerWaalsContact CD1-SD 3.51Å; L208-Y362 HydrophobicContact CB-CE2 4.14Å
209V88.8Confident85.5Confident20 Ų2070.4 Ų70.412%0.12135%0.349CS..Hα-helixtrans-62.4-40.5178.8171.50000111.5F205 I212 S213 Y362 F365F205-V209 HydrophobicContact CD1-CG2 4.03Å; F205-V209 HydrophobicContact CE1-CG2 3.64Å; F205-V209 HydrophobicContact CZ-CG2 4Å; F205-V209 WeakPolarHBondContact O-CG2 3.47Å; F205-V209 PolarHBondContact O-N 3.3Å; V209-I212 WeakPolarHBondContact O-CG1 3.23Å; V209-S213 VanDerWaalsContact O-CB 3.25Å; V209-S213 WeakPolarHBondContact O-CB 3.34Å; V209-S213 PolarHBondContact O-N 3.41Å; V209-S213 PolarHBondContact O-OG 2.98Å; V209-Y362 HydrophobicContact CG2-CD2 4.29Å; V209-Y362 HydrophobicContact CG2-CE2 4.28Å; V209-F365 HydrophobicContact CG1-CB 4.17Å; V209-F365 HydrophobicContact CG1-CD1 3.61Å; V209-F365 HydrophobicContact CG1-CE1 4.17Å; V209-F365 HydrophobicContact CG1-CG 3.92Å; V209-F365 HydrophobicContact CG2-CB 4.11Å; V209-F365 HydrophobicContact CG2-CD1 4.3Å; V209-F365 HydrophobicContact CG2-CD2 3.95Å; V209-F365 HydrophobicContact CG2-CE2 4.48Å; V209-F365 HydrophobicContact CG2-CG 3.86Å
210K86.6Confident85.7Confident102 Ų10266 Ų6644%0.44333%0.334SS..Hα-helixtrans-62.8-41.4175.3175.7-172.7163.6-145.70112.1L206 E207 L208 S213 N214L206-K210 VanDerWaalsContact O-CB 3.23Å; L206-K210 WeakPolarHBondContact O-CB 3.3Å; L206-K210 PolarHBondContact O-N 3.38Å; E207-K210 IonicContact OE1-NZ 3.39Å; E207-K210 PolarHBondContact OE1-NZ 2.67Å; E207-K210 WeakPolarHBondContact OE2-CD 3.49Å; E207-K210 IonicContact OE2-NZ 3.85Å; E207-K210 PolarHBondContact OE2-NZ 3.07Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.06Å; K210-S213 PolarHBondContact O-N 3.38Å; K210-N214 PolarHBondContact O-N 3.45Å; K210-N214 PolarHBondContact O-ND2 3.44Å
211D86.1Confident85.8Confident49 Ų4962.2 Ų62.226%0.26231%0.313SS..Hα-helixtrans-69.8-32.7-179.1-914.9000114K193 E207 L208 F228K193-D211 WeakPolarHBondContact CE-OD2 3.3Å; K193-D211 IonicContact NZ-OD2 3.63Å; K193-D211 PolarHBondContact NZ-OD2 2.65Å; E207-D211 WeakPolarHBondContact O-CB 3.48Å; E207-D211 PolarHBondContact O-N 3.39Å; L208-D211 PolarHBondContact O-N 3.11Å; D211-F228 HydrophobicContact CB-CE2 3.65Å; D211-F228 HydrophobicContact CB-CZ 3.87Å
212I89.3Confident86.2Confident0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-78.5-34.7172.960.5166.3000112.2L208 V209 N214 D215 L221 K224 I225 F228 Y362 F365 A369L208-I212 PolarHBondContact O-N 2.96Å; V209-I212 WeakPolarHBondContact O-CG1 3.23Å; I212-N214 VanDerWaalsContact C-N 3.25Å; I212-N214 PolarHBondContact O-N 3.29Å; I212-D215 PolarHBondContact O-N 3.04Å; I212-L221 HydrophobicContact CB-CD1 3.68Å; I212-L221 HydrophobicContact CG2-CD1 4.02Å; I212-L221 WeakPolarHBondContact O-CD1 3.36Å; I212-K224 HydrophobicContact CG2-CB 4.31Å; I212-I225 HydrophobicContact CG2-CG1 3.89Å; I212-F228 HydrophobicContact CG2-CD2 3.91Å; I212-F228 HydrophobicContact CG2-CE2 3.9Å; I212-Y362 HydrophobicContact CD1-CE2 4.01Å; I212-Y362 WeakPolarHBondContact CG2-OH 3.43Å; I212-F365 HydrophobicContact CD1-CB 4.05Å; I212-A369 HydrophobicContact CB-CB 4.39Å; I212-A369 HydrophobicContact CD1-CB 4.42Å
213S85.8Confident86.2Confident70 Ų7047.9 Ų47.949%0.4925%0.254SS..Hα-helixtrans-71.3-20.5-177-61.10000113.4V209 K210V209-S213 VanDerWaalsContact O-CB 3.25Å; V209-S213 WeakPolarHBondContact O-CB 3.34Å; V209-S213 PolarHBondContact O-N 3.41Å; V209-S213 PolarHBondContact O-OG 2.98Å; K210-S213 PolarHBondContact O-N 3.38Å
214N82.8Confident86.3Confident127 Ų12747.4 Ų47.468%0.67925%0.251SS*.THydrogen-bonded Turntrans-91.8-1176.1-72-57000113.7K210 I212K210-N214 PolarHBondContact O-N 3.45Å; K210-N214 PolarHBondContact O-ND2 3.44Å; I212-N214 VanDerWaalsContact C-N 3.25Å; I212-N214 PolarHBondContact O-N 3.29Å
215D85.4Confident86.4Confident19 Ų1946.8 Ų46.810%0.10225%0.249CC..  trans-102.1127179-152.3-28.6000111.5I212 D217 S220 L221 K224I212-D215 PolarHBondContact O-N 3.04Å; D215-D217 PolarHBondContact OD1-N 3.04Å; D215-S220 VanDerWaalsContact OD2-CB 3.28Å; D215-S220 WeakPolarHBondContact OD2-CB 3.43Å; D215-S220 PolarHBondContact OD2-OG 3.12Å; D215-L221 HydrophobicContact CB-CB 4.16Å; D215-L221 HydrophobicContact CB-CD1 4.28Å; D215-K224 HydrophobicContact CB-CD 4.45Å; D215-K224 WeakPolarHBondContact OD2-CD 3.43Å; D215-K224 VanDerWaalsContact OD2-CE 3.26Å; D215-K224 WeakPolarHBondContact OD2-CE 3.18Å; D215-K224 IonicContact OD2-NZ 3.1Å; D215-K224 PolarHBondContact OD2-NZ 3.37Å
216L86.6Confident86.5Confident75 Ų7545 Ų4539%0.39324%0.241SC..  trans-114.9-3.7179.9-63.7176.6000112.5F376L216-F376 HydrophobicContact CB-CD1 3.79Å; L216-F376 HydrophobicContact CB-CE1 4.15Å; L216-F376 HydrophobicContact CB-CG 4.29Å; L216-F376 HydrophobicContact CD1-CD1 4.25Å; L216-F376 HydrophobicContact CD1-CD2 4.22Å; L216-F376 HydrophobicContact CD1-CE1 4.3Å; L216-F376 HydrophobicContact CD1-CE2 4.29Å; L216-F376 HydrophobicContact CD1-CG 4.2Å; L216-F376 HydrophobicContact CD1-CZ 4.32Å
217D85.8Confident86.4Confident84 Ų8441.4 Ų41.445%0.44922%0.222SC..  trans-88.8116.4169.8173.153.9000109.3D215 T219 S220 L221D215-D217 PolarHBondContact OD1-N 3.04Å; D217-T219 PolarHBondContact O-N 3.3Å; D217-T219 VanDerWaalsContact O-N 3.1Å; D217-T219 VanDerWaalsContact OD2-CB 3.28Å; D217-T219 WeakPolarHBondContact OD2-CB 3.43Å; D217-T219 PolarHBondContact OD2-N 2.86Å; D217-S220 PolarHBondContact O-N 3.37Å; D217-S220 WeakPolarHBondContact OD2-CB 3.41Å; D217-S220 PolarHBondContact OD2-N 3.33Å; D217-L221 WeakPolarHBondContact O-CB 3.33Å; D217-L221 PolarHBondContact O-N 3.4Å
218L86Confident86.5Confident48 Ų4840.2 Ų40.225%0.25122%0.217SC..Hα-helixtrans-58.4-29.1-176.3-172.963.6000112.3S222 L242 I370 A373 Q374L218-S222 WeakPolarHBondContact O-CB 3.22Å; L218-S222 PolarHBondContact O-N 3.48Å; L218-S222 PolarHBondContact O-OG 3.37Å; L218-L242 HydrophobicContact CD1-CD1 3.85Å; L218-L242 HydrophobicContact CD2-CD1 3.95Å; L218-L242 HydrophobicContact CG-CD1 3.99Å; L218-I370 HydrophobicContact CD1-CG2 4.06Å; L218-A373 HydrophobicContact CB-CB 4.46Å; L218-A373 HydrophobicContact CD1-CB 4.33Å; L218-Q374 HydrophobicContact CD1-CG 4.21Å; L218-Q374 HydrophobicContact CD2-CG 4.11Å
219T84.1Confident86.5Confident67 Ų6740.5 Ų40.541%0.41122%0.218SC..Hα-helixtrans-72.9-55.4-179.2-48.10000110.7D217 L221 S222 Y223 F257D217-T219 PolarHBondContact O-N 3.3Å; D217-T219 VanDerWaalsContact O-N 3.1Å; D217-T219 VanDerWaalsContact OD2-CB 3.28Å; D217-T219 WeakPolarHBondContact OD2-CB 3.43Å; D217-T219 PolarHBondContact OD2-N 2.86Å; T219-L221 PolarHBondContact O-N 2.93Å; T219-S222 PolarHBondContact O-N 3.21Å; T219-Y223 PolarHBondContact O-N 2.95Å; T219-F257 HydrophobicContact CG2-CE2 3.75Å; T219-F257 HydrophobicContact CG2-CZ 3.53Å; T219-F257 WeakPolarHBondContact O-CE2 3.09Å
220S85.3Confident86.4Confident47 Ų4739.7 Ų39.733%0.32921%0.213SC..Hα-helixtrans-60.8-42.2174.7177.80000112.5D215 D217 Y223 K224D215-S220 VanDerWaalsContact OD2-CB 3.28Å; D215-S220 WeakPolarHBondContact OD2-CB 3.43Å; D215-S220 PolarHBondContact OD2-OG 3.12Å; D217-S220 PolarHBondContact O-N 3.37Å; D217-S220 WeakPolarHBondContact OD2-CB 3.41Å; D217-S220 PolarHBondContact OD2-N 3.33Å; S220-Y223 PolarHBondContact O-N 3.33Å; S220-K224 WeakPolarHBondContact O-CG 3.39Å; S220-K224 PolarHBondContact O-N 2.88Å
221L88.9Confident86.3Confident0 Ų035.6 Ų35.60%020%0.196CC..Hα-helixtrans-60.9-47.7176.3175.559.9000112.2I212 D215 D217 T219 Y223 K224 I225 A369 I370 A373I212-L221 HydrophobicContact CB-CD1 3.68Å; I212-L221 HydrophobicContact CG2-CD1 4.02Å; I212-L221 WeakPolarHBondContact O-CD1 3.36Å; D215-L221 HydrophobicContact CB-CB 4.16Å; D215-L221 HydrophobicContact CB-CD1 4.28Å; D217-L221 WeakPolarHBondContact O-CB 3.33Å; D217-L221 PolarHBondContact O-N 3.4Å; T219-L221 PolarHBondContact O-N 2.93Å; L221-Y223 VanDerWaalsContact C-N 3.29Å; L221-Y223 PolarHBondContact O-N 3.45Å; L221-K224 PolarHBondContact O-N 3.11Å; L221-I225 HydrophobicContact CD1-CD1 3.79Å; L221-I225 HydrophobicContact CD1-CG1 4.08Å; L221-I225 HydrophobicContact CG-CD1 3.82Å; L221-I225 WeakPolarHBondContact O-CG1 3.4Å; L221-I225 PolarHBondContact O-N 3.35Å; L221-A369 HydrophobicContact CD1-CB 3.96Å; L221-A369 VanDerWaalsContact CD2-C 3.5Å; L221-A369 HydrophobicContact CD2-CB 3.94Å; L221-A369 WeakPolarHBondContact CD2-O 3.36Å; L221-I370 HydrophobicContact CD2-CG1 4.13Å; L221-A373 HydrophobicContact CD2-CB 3.78Å
222S87.8Confident86.4Confident10 Ų1033.8 Ų33.87%0.0719%0.186CC..Hα-helixtrans-57.7-43.7177.7-65.60000111.5L218 T219 I225 L226L218-S222 WeakPolarHBondContact O-CB 3.22Å; L218-S222 PolarHBondContact O-N 3.48Å; L218-S222 PolarHBondContact O-OG 3.37Å; T219-S222 PolarHBondContact O-N 3.21Å; S222-I225 PolarHBondContact O-N 3.46Å; S222-L226 WeakPolarHBondContact O-CG 3.42Å; S222-L226 PolarHBondContact O-N 3.01Å; S222-L226 VanDerWaalsContact O-N 3.12Å
223Y83.6Confident86.3Confident41 Ų4133.8 Ų33.816%0.16119%0.186CC..Hα-helixtrans-63.3-44176.3-177.4-98.7000112.8T219 S220 L221 L226 I227 F257 V260 T264 L266T219-Y223 PolarHBondContact O-N 2.95Å; S220-Y223 PolarHBondContact O-N 3.33Å; L221-Y223 VanDerWaalsContact C-N 3.29Å; L221-Y223 PolarHBondContact O-N 3.45Å; Y223-L226 WeakPolarHBondContact O-CB 3.48Å; Y223-L226 PolarHBondContact O-N 3.29Å; Y223-I227 HydrophobicContact CD1-CG1 4.33Å; Y223-I227 HydrophobicContact CE1-CD1 4.49Å; Y223-I227 HydrophobicContact CE1-CG1 3.88Å; Y223-I227 HydrophobicContact CE2-CD1 4.48Å; Y223-I227 HydrophobicContact CE2-CG1 4.39Å; Y223-I227 WeakPolarHBondContact O-CG1 3.2Å; Y223-I227 PolarHBondContact O-N 3.02Å; Y223-I227 VanDerWaalsContact O-N 3.11Å; Y223-F257 HydrophobicContact CD2-CD1 4.21Å; Y223-F257 HydrophobicContact CD2-CE1 4.14Å; Y223-V260 HydrophobicContact CD2-CG1 4.28Å; Y223-V260 HydrophobicContact CE2-CG1 3.72Å; Y223-T264 PolarHBondContact OH-O 3.36Å; Y223-L266 HydrophobicContact CD1-CD2 4.26Å; Y223-L266 HydrophobicContact CE1-CD2 3.99Å
224K86.6Confident86.5Confident60 Ų6033.8 Ų33.826%0.26118%0.181SC..Hα-helixtrans-61.8-45.1176.3-74.5171.7177.9173.50112.1I212 D215 S220 L221 L226 I227 F228I212-K224 HydrophobicContact CG2-CB 4.31Å; D215-K224 HydrophobicContact CB-CD 4.45Å; D215-K224 WeakPolarHBondContact OD2-CD 3.43Å; D215-K224 VanDerWaalsContact OD2-CE 3.26Å; D215-K224 WeakPolarHBondContact OD2-CE 3.18Å; D215-K224 IonicContact OD2-NZ 3.1Å; D215-K224 PolarHBondContact OD2-NZ 3.37Å; S220-K224 WeakPolarHBondContact O-CG 3.39Å; S220-K224 PolarHBondContact O-N 2.88Å; L221-K224 PolarHBondContact O-N 3.11Å; K224-L226 VanDerWaalsContact C-N 3.29Å; K224-L226 PolarHBondContact O-N 2.96Å; K224-I227 PolarHBondContact O-N 3.14Å; K224-F228 HydrophobicContact CB-CE2 4.19Å; K224-F228 HydrophobicContact CB-CZ 4.13Å; K224-F228 HydrophobicContact CG-CZ 4.36Å; K224-F228 WeakPolarHBondContact O-CB 3.27Å; K224-F228 VanDerWaalsContact O-CD1 3.29Å; K224-F228 WeakPolarHBondContact O-CD1 3.44Å; K224-F228 WeakPolarHBondContact O-CG 3.44Å; K224-F228 PolarHBondContact O-N 3.48Å
225I89.1Confident86.7Confident1 Ų127.8 Ų27.81%0.00515%0.149CC..Hα-helixtrans-56.7-46177.2-69.9165.9000110.3I212 L221 S222 F228 V229 L240 C366 I370I212-I225 HydrophobicContact CG2-CG1 3.89Å; L221-I225 HydrophobicContact CD1-CD1 3.79Å; L221-I225 HydrophobicContact CD1-CG1 4.08Å; L221-I225 HydrophobicContact CG-CD1 3.82Å; L221-I225 WeakPolarHBondContact O-CG1 3.4Å; L221-I225 PolarHBondContact O-N 3.35Å; S222-I225 PolarHBondContact O-N 3.46Å; I225-F228 PolarHBondContact O-N 3.32Å; I225-V229 HydrophobicContact CG2-CG2 4.4Å; I225-V229 WeakPolarHBondContact O-CG2 3.33Å; I225-V229 PolarHBondContact O-N 2.94Å; I225-L240 HydrophobicContact CB-CD2 4.39Å; I225-L240 HydrophobicContact CG2-CD2 4.21Å; I225-C366 HydrophobicContact CD1-CB 3.93Å; I225-C366 HydrophobicContact CG1-CB 4.25Å; I225-C366 HydrophobicContact CG2-CB 4.29Å; I225-I370 HydrophobicContact CD1-CD1 3.72Å; I225-I370 HydrophobicContact CD1-CG1 3.78Å
226L86.9Confident86.7Confident4 Ų429.8 Ų29.82%0.02116%0.16CC..Hα-helixtrans-58.3-52.9177.7-76.4174.8000113.4S222 Y223 K224 F228 V229 C230 C238 S239 L240 F257 V260S222-L226 WeakPolarHBondContact O-CG 3.42Å; S222-L226 PolarHBondContact O-N 3.01Å; S222-L226 VanDerWaalsContact O-N 3.12Å; Y223-L226 WeakPolarHBondContact O-CB 3.48Å; Y223-L226 PolarHBondContact O-N 3.29Å; K224-L226 VanDerWaalsContact C-N 3.29Å; K224-L226 PolarHBondContact O-N 2.96Å; L226-F228 PolarHBondContact O-N 3.05Å; L226-V229 PolarHBondContact O-N 3.31Å; L226-C230 PolarHBondContact O-N 3.35Å; L226-C238 HydrophobicContact CD2-CB 3.73Å; L226-S239 VanDerWaalsContact CD2-C 3.43Å; L226-L240 HydrophobicContact CD1-CB 4.14Å; L226-L240 HydrophobicContact CD2-CB 3.53Å; L226-L240 HydrophobicContact CG-CB 3.82Å; L226-F257 HydrophobicContact CD1-CB 3.48Å; L226-F257 VanDerWaalsContact CD1-CB 3.48Å; L226-F257 HydrophobicContact CD1-CG 4.32Å; L226-V260 HydrophobicContact CD1-CB 4.32Å; L226-V260 HydrophobicContact CD1-CG2 3.85Å
227I84.6Confident86.6Confident10 Ų1029.4 Ų29.45%0.05115%0.153CC..Hα-helixtrans-60-38.9178.5-64.5-67.4000110.6Y223 K224 C230 L231 V260 H261Y223-I227 HydrophobicContact CD1-CG1 4.33Å; Y223-I227 HydrophobicContact CE1-CD1 4.49Å; Y223-I227 HydrophobicContact CE1-CG1 3.88Å; Y223-I227 HydrophobicContact CE2-CD1 4.48Å; Y223-I227 HydrophobicContact CE2-CG1 4.39Å; Y223-I227 WeakPolarHBondContact O-CG1 3.2Å; Y223-I227 PolarHBondContact O-N 3.02Å; Y223-I227 VanDerWaalsContact O-N 3.11Å; K224-I227 PolarHBondContact O-N 3.14Å; I227-C230 PolarHBondContact O-N 2.93Å; I227-L231 HydrophobicContact CG2-CD1 3.97Å; I227-L231 HydrophobicContact CG2-CG 4.44Å; I227-L231 WeakPolarHBondContact O-CB 3.26Å; I227-L231 VanDerWaalsContact O-CG 3.29Å; I227-L231 WeakPolarHBondContact O-CG 3.15Å; I227-L231 PolarHBondContact O-N 3.2Å; I227-V260 HydrophobicContact CD1-CG1 3.61Å; I227-V260 HydrophobicContact CG1-CG1 4.32Å; I227-H261 WeakPolarHBondContact CD1-O 3.08Å
228F88.6Confident86.6Confident11 Ų1125.4 Ų25.45%0.04813%0.132CC..Hα-helixtrans-73.4-39.5-177.6-62.8-2.4000111.7K193 L208 D211 I212 K224 I225 L226 L231 M232 Y362K193-F228 HydrophobicContact CD-CE1 4.49Å; L208-F228 HydrophobicContact CB-CD2 3.89Å; L208-F228 HydrophobicContact CB-CE2 4.44Å; L208-F228 HydrophobicContact CB-CG 4.41Å; L208-F228 HydrophobicContact CD1-CB 4.22Å; L208-F228 HydrophobicContact CD2-CB 4.24Å; L208-F228 HydrophobicContact CD2-CD1 3.87Å; L208-F228 HydrophobicContact CD2-CD2 3.8Å; L208-F228 HydrophobicContact CD2-CE1 4.25Å; L208-F228 HydrophobicContact CD2-CE2 4.17Å; L208-F228 HydrophobicContact CD2-CG 3.69Å; L208-F228 HydrophobicContact CD2-CZ 4.42Å; L208-F228 HydrophobicContact CG-CD2 4.33Å; L208-F228 HydrophobicContact CG-CG 4.41Å; D211-F228 HydrophobicContact CB-CE2 3.65Å; D211-F228 HydrophobicContact CB-CZ 3.87Å; I212-F228 HydrophobicContact CG2-CD2 3.91Å; I212-F228 HydrophobicContact CG2-CE2 3.9Å; K224-F228 HydrophobicContact CB-CE2 4.19Å; K224-F228 HydrophobicContact CB-CZ 4.13Å; K224-F228 HydrophobicContact CG-CZ 4.36Å; K224-F228 WeakPolarHBondContact O-CB 3.27Å; K224-F228 VanDerWaalsContact O-CD1 3.29Å; K224-F228 WeakPolarHBondContact O-CD1 3.44Å; K224-F228 WeakPolarHBondContact O-CG 3.44Å; K224-F228 PolarHBondContact O-N 3.48Å; I225-F228 PolarHBondContact O-N 3.32Å; L226-F228 PolarHBondContact O-N 3.05Å; F228-L231 PolarHBondContact O-N 3.31Å; F228-M232 WeakPolarHBondContact O-CB 3.06Å; F228-M232 WeakPolarHBondContact O-CG 3.45Å; F228-M232 PolarHBondContact O-N 3.43Å; F228-Y362 HydrophobicContact CB-CE1 4.16Å; F228-Y362 WeakPolarHBondContact CD2-OH 3.15Å
229V88.8Confident86.6Confident5 Ų523.1 Ų23.13%0.0312%0.12CC..Hα-helixtrans-57.6-49.9170.1170.30000110.3I225 L226 L231 M232 V233 A341 M359 Y362 L363I225-V229 HydrophobicContact CG2-CG2 4.4Å; I225-V229 WeakPolarHBondContact O-CG2 3.33Å; I225-V229 PolarHBondContact O-N 2.94Å; L226-V229 PolarHBondContact O-N 3.31Å; V229-L231 VanDerWaalsContact C-N 3.34Å; V229-L231 PolarHBondContact O-N 3.25Å; V229-M232 PolarHBondContact O-N 3.16Å; V229-V233 HydrophobicContact CG1-CG2 4.35Å; V229-V233 WeakPolarHBondContact O-CG2 3.34Å; V229-V233 PolarHBondContact O-N 3.4Å; V229-A341 HydrophobicContact CG1-CB 4.37Å; V229-M359 HydrophobicContact CG1-CE 3.94Å; V229-M359 HydrophobicContact CG1-SD 4.5Å; V229-Y362 HydrophobicContact CG2-CD1 4.12Å; V229-Y362 HydrophobicContact CG2-CE1 4.06Å; V229-L363 HydrophobicContact CG2-CD2 4.29Å
230C86.4Confident86.9Confident3 Ų320.2 Ų20.22%0.0210%0.102CC..Hα-helixtrans-59.4-41.2179.5-94.10000113.1L226 I227 D234 A235 C238 A262L226-C230 PolarHBondContact O-N 3.35Å; I227-C230 PolarHBondContact O-N 2.93Å; C230-D234 WeakPolarHBondContact O-CA 3.33Å; C230-D234 PolarHBondContact O-N 3.27Å; C230-D234 VanDerWaalsContact O-N 3.09Å; C230-A235 PolarHBondContact O-N 3.22Å; C230-A235 VanDerWaalsContact O-N 3.16Å; C230-C238 WeakPolarHBondContact CA-SG 3.22Å; C230-C238 HydrophobicContact CB-CB 4.28Å; C230-C238 WeakPolarHBondContact CB-SG 3.22Å; C230-C238 PolarHBondContact N-SG 3.47Å; C230-C238 WeakPolarHBondContact SG-CB 3.36Å; C230-C238 PolarHBondContact SG-N 2.78Å; C230-C238 CovalentContact SG-SG 2.05Å; C230-C238 PolarHBondContact SG-SG 2.96Å; C230-A262 HydrophobicContact CB-CB 4.44Å
231L84.9Confident87.1Confident17 Ų1718 Ų189%0.0899%0.086CC..Hα-helixtrans-69.8-29.8174.1-71.6172.7000113.4I190 K197 F204 I227 F228 V229 A262I190-L231 HydrophobicContact CG2-CD1 4.32Å; I190-L231 HydrophobicContact CG2-CD2 4.25Å; K197-L231 WeakPolarHBondContact CD-O 3.36Å; K197-L231 PolarHBondContact NZ-O 3.47Å; F204-L231 HydrophobicContact CZ-CB 4.5Å; I227-L231 HydrophobicContact CG2-CD1 3.97Å; I227-L231 HydrophobicContact CG2-CG 4.44Å; I227-L231 WeakPolarHBondContact O-CB 3.26Å; I227-L231 VanDerWaalsContact O-CG 3.29Å; I227-L231 WeakPolarHBondContact O-CG 3.15Å; I227-L231 PolarHBondContact O-N 3.2Å; F228-L231 PolarHBondContact O-N 3.31Å; V229-L231 VanDerWaalsContact C-N 3.34Å; V229-L231 PolarHBondContact O-N 3.25Å; L231-A262 HydrophobicContact CD2-CB 4.2Å
232M86.3Confident87.2Confident11 Ų1119.2 Ų19.25%0.0549%0.092CC..Hα-helixtrans-75.3-52.1-179.6-75.4175.273.600111.5K197 F204 F205 L208 F228 V229 V358 Y362K197-M232 PolarHBondContact NZ-O 2.82Å; K197-M232 VanDerWaalsContact NZ-O 3.08Å; F204-M232 HydrophobicContact CE1-CG 3.87Å; F204-M232 HydrophobicContact CZ-CG 4.07Å; F205-M232 HydrophobicContact CD2-CE 3.89Å; F205-M232 HydrophobicContact CE2-CE 3.99Å; L208-M232 HydrophobicContact CD1-CG 3.65Å; L208-M232 HydrophobicContact CD1-SD 3.51Å; L208-M232 VanDerWaalsContact CD1-SD 3.51Å; F228-M232 WeakPolarHBondContact O-CB 3.06Å; F228-M232 WeakPolarHBondContact O-CG 3.45Å; F228-M232 PolarHBondContact O-N 3.43Å; V229-M232 PolarHBondContact O-N 3.16Å; M232-V358 HydrophobicContact CB-CG1 4.01Å; M232-V358 HydrophobicContact CE-CG1 3.4Å; M232-Y362 HydrophobicContact CE-CD1 4.38Å; M232-Y362 HydrophobicContact CE-CD2 4.2Å; M232-Y362 HydrophobicContact CE-CG 3.8Å; M232-Y362 HydrophobicContact SD-CD1 3.69Å; M232-Y362 HydrophobicContact SD-CD2 3.88Å; M232-Y362 HydrophobicContact SD-CE1 4.13Å; M232-Y362 HydrophobicContact SD-CE2 4.32Å; M232-Y362 HydrophobicContact SD-CG 3.58Å; M232-Y362 VanDerWaalsContact SD-CG 3.58Å
233V89.1Confident87.2Confident0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-94.711-176.8-55.60000114.2V229 A235 L324 A341 K344 F351 D355 M359V229-V233 HydrophobicContact CG1-CG2 4.35Å; V229-V233 WeakPolarHBondContact O-CG2 3.34Å; V229-V233 PolarHBondContact O-N 3.4Å; V233-A235 VanDerWaalsContact C-N 3.35Å; V233-A235 HydrophobicContact CG2-CB 4.05Å; V233-A235 PolarHBondContact O-N 3.32Å; V233-L324 HydrophobicContact CG1-CD2 4.39Å; V233-A341 HydrophobicContact CG2-CB 3.77Å; V233-K344 WeakPolarHBondContact O-CD 3.35Å; V233-K344 WeakPolarHBondContact O-CE 3.35Å; V233-K344 PolarHBondContact O-NZ 3.09Å; V233-F351 HydrophobicContact CB-CD1 4.4Å; V233-F351 HydrophobicContact CB-CE1 4.31Å; V233-F351 HydrophobicContact CG2-CD1 4.45Å; V233-F351 HydrophobicContact CG2-CE1 3.95Å; V233-D355 HydrophobicContact CB-CB 4.14Å; V233-D355 HydrophobicContact CG1-CB 3.96Å; V233-M359 HydrophobicContact CG1-CB 4.33Å
234D88.4Confident87.3Confident69 Ų6922.9 Ų22.937%0.36911%0.112SC..THydrogen-bonded Turntrans48.251.7-178.5-56.8-65.1000112.7K197 C230 K344 I345K197-D234 IonicContact NZ-OD1 3.71Å; K197-D234 PolarHBondContact NZ-OD1 3.04Å; K197-D234 IonicContact NZ-OD2 3.85Å; K197-D234 PolarHBondContact NZ-OD2 3.06Å; C230-D234 WeakPolarHBondContact O-CA 3.33Å; C230-D234 PolarHBondContact O-N 3.27Å; C230-D234 VanDerWaalsContact O-N 3.09Å; D234-K344 IonicContact OD2-NZ 3.03Å; D234-I345 WeakPolarHBondContact O-CB 3.31Å; D234-I345 PolarHBondContact O-N 3.46Å
235A87.7Confident86.7Confident2 Ų228.3 Ų28.32%0.01713%0.13CC..EExtended strand (participates in β ladder)trans-94.4148.3177.200000111.7C230 V233 A341 F351C230-A235 PolarHBondContact O-N 3.22Å; C230-A235 VanDerWaalsContact O-N 3.16Å; V233-A235 VanDerWaalsContact C-N 3.35Å; V233-A235 HydrophobicContact CG2-CB 4.05Å; V233-A235 PolarHBondContact O-N 3.32Å; A235-A341 HydrophobicContact CB-CB 3.89Å; A235-F351 HydrophobicContact CB-CE1 4.07Å; A235-F351 HydrophobicContact CB-CZ 4.01Å
236D84.5Confident85.4Confident61 Ų6130.6 Ų30.633%0.32615%0.149SC..EExtended strand (participates in β ladder)trans-68.9-43.1173.7-177.650.2000111.6H261 Y318 I342 N343 I345D236-H261 WeakPolarHBondContact O-CA 3.46Å; D236-H261 WeakPolarHBondContact O-CB 3.26Å; D236-Y318 VanDerWaalsContact OD2-CE2 3.3Å; D236-Y318 WeakPolarHBondContact OD2-CE2 3.45Å; D236-Y318 PolarHBondContact OD2-OH 3.09Å; D236-I342 PolarHBondContact N-O 3.29Å; D236-N343 HydrophobicContact CB-CB 4.03Å; D236-N343 PolarHBondContact N-O 3.48Å; D236-I345 HydrophobicContact CB-CD1 4.31Å; D236-I345 HydrophobicContact CB-CG1 4.38Å
237R84.6Confident83.6Confident67 Ų6736 Ų3625%0.25320%0.195SC..EExtended strand (participates in β ladder)trans-136.5151.4178-61.4-174.3-176.9-159.3-5.2112.9D259 V260 Y318 I342R237-D259 IonicContact CZ-OD2 2.66Å; R237-D259 IonicContact NH1-OD2 3.11Å; R237-D259 PolarHBondContact NH1-OD2 3.47Å; R237-V260 WeakPolarHBondContact CA-O 3.35Å; R237-Y318 VanDerWaalsContact NE-CE2 3.31Å; R237-I342 HydrophobicContact CB-CB 4.27Å; R237-I342 PolarHBondContact N-O 2.92Å; R237-I342 PolarHBondContact O-N 3.14Å
238C86.3Confident82.1Confident0 Ų039.7 Ų39.70%023%0.226CC..EExtended strand (participates in β ladder)trans-133.7144.7173.5-59.70000111.2L226 C230 V260 Q340L226-C238 HydrophobicContact CD2-CB 3.73Å; C230-C238 WeakPolarHBondContact CA-SG 3.22Å; C230-C238 HydrophobicContact CB-CB 4.28Å; C230-C238 WeakPolarHBondContact CB-SG 3.22Å; C230-C238 PolarHBondContact N-SG 3.47Å; C230-C238 WeakPolarHBondContact SG-CB 3.36Å; C230-C238 PolarHBondContact SG-N 2.78Å; C230-C238 CovalentContact SG-SG 2.05Å; C230-C238 PolarHBondContact SG-SG 2.96Å; C238-V260 PolarHBondContact N-O 2.92Å; C238-V260 PolarHBondContact O-N 3.23Å; C238-Q340 CarbonylContact C-O 3.58Å; C238-Q340 VanDerWaalsContact CA-O 3.23Å; C238-Q340 WeakPolarHBondContact CA-O 3.43Å
239S86.9Confident80.7Confident0 Ų042.3 Ų42.30%026%0.257CS..EExtended strand (participates in β ladder)trans-134.9142.7177.2-70.90000110.5L226 D259 Q340L226-S239 VanDerWaalsContact CD2-C 3.43Å; S239-D259 PolarHBondContact OG-N 3.14Å; S239-D259 VanDerWaalsContact OG-N 3.17Å; S239-Q340 PolarHBondContact N-O 3.44Å; S239-Q340 PolarHBondContact O-N 2.91Å
240L89.3Confident80Confident6 Ų649.4 Ų49.43%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-131.1122.7-173.2173.363000108.6I225 L226 L242 S255 I328 A339I225-L240 HydrophobicContact CB-CD2 4.39Å; I225-L240 HydrophobicContact CG2-CD2 4.21Å; L226-L240 HydrophobicContact CD1-CB 4.14Å; L226-L240 HydrophobicContact CD2-CB 3.53Å; L226-L240 HydrophobicContact CG-CB 3.82Å; L240-L242 HydrophobicContact CD1-CD2 4.29Å; L240-L242 HydrophobicContact CD2-CD2 4.47Å; L240-L242 HydrophobicContact CG-CD2 4.29Å; L240-S255 WeakPolarHBondContact O-CB 3.28Å; L240-S255 PolarHBondContact O-OG 3.48Å; L240-I328 HydrophobicContact CD1-CD1 3.5Å; L240-I328 VanDerWaalsContact CD1-CD1 3.5Å; L240-A339 HydrophobicContact CD1-CB 4.46Å
241F89Confident79.8Confident1 Ų152.1 Ų52.10%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-114123.9-179.3-63.9-97.9000108.5L253 F258 V278 V280 I287 G337 V338F241-L253 HydrophobicContact CB-CB 4.15Å; F241-L253 HydrophobicContact CB-CD2 4.1Å; F241-F258 HydrophobicContact CZ-CD2 4.25Å; F241-F258 HydrophobicContact CZ-CE2 4.3Å; F241-V278 HydrophobicContact CE1-CB 4.3Å; F241-V278 HydrophobicContact CE1-CG1 4.07Å; F241-V280 HydrophobicContact CD1-CG2 4.12Å; F241-V280 HydrophobicContact CE1-CG2 3.79Å; F241-I287 HydrophobicContact CB-CG2 4.33Å; F241-I287 HydrophobicContact CD2-CD1 4.13Å; F241-I287 HydrophobicContact CD2-CG2 3.84Å; F241-I287 HydrophobicContact CE1-CD1 4.42Å; F241-I287 HydrophobicContact CE2-CD1 3.54Å; F241-I287 HydrophobicContact CE2-CG2 4.35Å; F241-I287 HydrophobicContact CG-CG2 3.99Å; F241-I287 HydrophobicContact CZ-CD1 3.72Å; F241-G337 CarbonylContact O-C 3.55Å; F241-G337 WeakPolarHBondContact O-CA 3.47Å; F241-V338 PolarHBondContact N-O 2.84Å; F241-V338 PolarHBondContact O-N 2.93Å
242L91.1Very high79.9Confident25 Ų2553.1 Ų53.113%0.13131%0.305CS..EExtended strand (participates in β ladder)trans-98.6148.9176.1-60.4-178.4000109.9L218 L240 E244 L253 V254 I370L218-L242 HydrophobicContact CD1-CD1 3.85Å; L218-L242 HydrophobicContact CD2-CD1 3.95Å; L218-L242 HydrophobicContact CG-CD1 3.99Å; L240-L242 HydrophobicContact CD1-CD2 4.29Å; L240-L242 HydrophobicContact CD2-CD2 4.47Å; L240-L242 HydrophobicContact CG-CD2 4.29Å; L242-E244 PolarHBondContact O-N 3.24Å; L242-L253 WeakPolarHBondContact O-CA 3.43Å; L242-V254 PolarHBondContact N-O 2.91Å; L242-V254 PolarHBondContact O-N 2.93Å; L242-I370 HydrophobicContact CD2-CD1 3.97Å; L242-I370 HydrophobicContact CD2-CG2 4.2Å
243V89.4Confident79.8Confident23 Ų2352.6 Ų52.614%0.13930%0.303CS..EExtended strand (participates in β ladder)trans-81.6116.6178-178.10000109.7K251 L253 W282 I336V243-K251 HydrophobicContact CG1-CB 4.24Å; V243-K251 HydrophobicContact CG1-CD 4.24Å; V243-K251 HydrophobicContact CG1-CG 4.23Å; V243-L253 HydrophobicContact CG2-CD2 3.73Å; V243-W282 HydrophobicContact CG1-CH2 4.48Å; V243-W282 HydrophobicContact CG1-CZ3 3.98Å; V243-W282 HydrophobicContact CG2-CH2 4.13Å; V243-W282 HydrophobicContact CG2-CZ3 3.77Å; V243-I336 PolarHBondContact N-O 3.12Å
244E84.6Confident79.6Confident105 Ų10553 Ų5349%0.49131%0.305SS..EExtended strand (participates in β ladder)trans-102.8143.5169-166.9160.3-144.700110.1L242 T252 V254L242-E244 PolarHBondContact O-N 3.24Å; E244-T252 PolarHBondContact N-O 3.16Å; E244-T252 PolarHBondContact O-N 2.71Å; E244-V254 HydrophobicContact CB-CG2 3.99Å
245R74.9Confident79.3Confident173 Ų17349.8 Ų49.865%0.65329%0.288SS*.EExtended strand (participates in β ladder)trans-111.1108.8179-65.9-178.1-177.7-174.9-1.6108.6E334R245-E334 IonicContact NH2-OE2 3.54Å; R245-E334 PolarHBondContact NH2-OE2 2.94Å
246A60.5Low78.4Confident49 Ų4956.1 Ų56.141%0.40532%0.315SS..  trans-69.4155.6173.300000111A248 G249 K250A246-A248 PolarHBondContact O-N 2.75Å; A246-G249 PolarHBondContact O-N 2.92Å; A246-K250 PolarHBondContact N-O 3.23Å; A246-K250 VanDerWaalsContact N-O 3.09Å
247A50.1Low77.6Confident119 Ų11955.5 Ų55.598%0.98331%0.31SS*.THydrogen-bonded Turntrans-55.5-24.7-177.700000114.4G249A247-G249 VanDerWaalsContact C-N 3.29Å; A247-G249 PolarHBondContact O-N 3.41Å
248A51.8Low76.5Confident86 Ų8655.5 Ų55.571%0.71131%0.312SS*.THydrogen-bonded Turntrans-85.816.2175.700000114.5A246 K250A246-A248 PolarHBondContact O-N 2.75Å; A248-K250 PolarHBondContact O-N 3.07Å; A248-K250 VanDerWaalsContact O-N 3.15Å
249G60.4Low75.1Confident66 Ų6657 Ų5768%0.6832%0.32SS*.SBendtrans74.6-2.2177.600000115.8A246 A247A246-G249 PolarHBondContact O-N 2.92Å; A247-G249 VanDerWaalsContact C-N 3.29Å; A247-G249 PolarHBondContact O-N 3.41Å
250K73.7Confident73.7Confident155 Ų15557.6 Ų57.667%0.67432%0.323SS*.  trans-73.9125.3175.4-63.9-177.7-178.7177.20110A246 A248A246-K250 PolarHBondContact N-O 3.23Å; A246-K250 VanDerWaalsContact N-O 3.09Å; A248-K250 PolarHBondContact O-N 3.07Å; A248-K250 VanDerWaalsContact O-N 3.15Å
251K83Confident72.1Confident60 Ų6061.2 Ų61.226%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-77.3138.8169.4-66.3-176.2175.7-172.10109.3V243 W282 E334V243-K251 HydrophobicContact CG1-CB 4.24Å; V243-K251 HydrophobicContact CG1-CD 4.24Å; V243-K251 HydrophobicContact CG1-CG 4.23Å; K251-W282 HydrophobicContact CB-CD2 3.8Å; K251-W282 HydrophobicContact CB-CE3 3.52Å; K251-W282 HydrophobicContact CB-CG 4.34Å; K251-W282 HydrophobicContact CB-CZ3 3.93Å; K251-W282 HydrophobicContact CD-CD2 4.33Å; K251-W282 HydrophobicContact CD-CE3 4.29Å; K251-W282 HydrophobicContact CD-CH2 3.78Å; K251-W282 HydrophobicContact CD-CZ2 3.79Å; K251-W282 HydrophobicContact CD-CZ3 4.03Å; K251-E334 IonicContact NZ-OE2 3.02Å; K251-E334 PolarHBondContact NZ-OE2 2.98Å
252T87.2Confident70.1Confident37 Ų3763.5 Ų63.523%0.22736%0.359CS..EExtended strand (participates in β ladder)trans-134.8146.6171.342.30000109.6E244E244-T252 PolarHBondContact N-O 3.16Å; E244-T252 PolarHBondContact O-N 2.71Å
253L84Confident67.8Low0 Ų064.4 Ų64.40%037%0.374CS..EExtended strand (participates in β ladder)trans-97.7119.3177.3-78163.6000108.7F241 L242 V243 Q279 V280 W282 I287 V338F241-L253 HydrophobicContact CB-CB 4.15Å; F241-L253 HydrophobicContact CB-CD2 4.1Å; L242-L253 WeakPolarHBondContact O-CA 3.43Å; V243-L253 HydrophobicContact CG2-CD2 3.73Å; L253-Q279 CarbonylContact O-C 3.55Å; L253-Q279 WeakPolarHBondContact O-CA 3.47Å; L253-V280 HydrophobicContact CB-CB 4.14Å; L253-V280 PolarHBondContact N-O 2.97Å; L253-V280 PolarHBondContact O-N 2.8Å; L253-W282 HydrophobicContact CD1-CE3 4.43Å; L253-W282 HydrophobicContact CD1-CZ3 4.47Å; L253-W282 HydrophobicContact CD2-CZ3 4.33Å; L253-W282 HydrophobicContact CG-CE3 4.24Å; L253-W282 HydrophobicContact CG-CZ3 4.14Å; L253-I287 HydrophobicContact CD1-CG2 4.24Å; L253-V338 HydrophobicContact CD1-CG2 4.37Å; L253-V338 HydrophobicContact CD2-CG2 4.16Å
254V84.6Confident65.8Low9 Ų965.8 Ų65.86%0.05538%0.383CS..EExtended strand (participates in β ladder)trans-120.4125.3-174.6-174.30000109.4L242 E244 E277 Q279L242-V254 PolarHBondContact N-O 2.91Å; L242-V254 PolarHBondContact O-N 2.93Å; E244-V254 HydrophobicContact CB-CG2 3.99Å; V254-E277 HydrophobicContact CG1-CB 4.07Å; V254-E277 HydrophobicContact CG1-CG 4.49Å; V254-Q279 HydrophobicContact CG1-CG 4.37Å; V254-Q279 HydrophobicContact CG2-CG 4.18Å
255S81.1Confident63.5Low1 Ų165.8 Ų65.81%0.00739%0.392CS..EExtended strand (participates in β ladder)trans-107.1132.1169.5-172.50000111.3L240 F257 E277 V278L240-S255 WeakPolarHBondContact O-CB 3.28Å; L240-S255 PolarHBondContact O-OG 3.48Å; S255-F257 PolarHBondContact OG-N 2.74Å; S255-F257 PolarHBondContact OG-O 2.73Å; S255-E277 WeakPolarHBondContact O-CA 3.33Å; S255-V278 PolarHBondContact N-O 3.34Å; S255-V278 PolarHBondContact O-N 3.39Å
256K70.3Confident61.8Low135 Ų13564.4 Ų64.459%0.58740%0.397SS*.EExtended strand (participates in β ladder)trans-97.4-6.6169.5-57.9-168.8-179.1-1480112.8E277K256-E277 WeakPolarHBondContact CE-OE1 3.34Å; K256-E277 HydrophobicContact CG-CG 4.32Å; K256-E277 IonicContact NZ-OE1 2.86Å; K256-E277 PolarHBondContact NZ-OE1 2.86Å; K256-E277 VanDerWaalsContact NZ-OE1 3.11Å
257F67.4Low60.5Low49 Ų4969.4 Ų69.422%0.21542%0.416CS..EExtended strand (participates in β ladder)trans-140.7100.2-176.5-68.9-75.4000109.3T219 Y223 L226 S255 V260T219-F257 HydrophobicContact CG2-CE2 3.75Å; T219-F257 HydrophobicContact CG2-CZ 3.53Å; T219-F257 WeakPolarHBondContact O-CE2 3.09Å; Y223-F257 HydrophobicContact CD2-CD1 4.21Å; Y223-F257 HydrophobicContact CD2-CE1 4.14Å; L226-F257 HydrophobicContact CD1-CB 3.48Å; L226-F257 VanDerWaalsContact CD1-CB 3.48Å; L226-F257 HydrophobicContact CD1-CG 4.32Å; S255-F257 PolarHBondContact OG-N 2.74Å; S255-F257 PolarHBondContact OG-O 2.73Å; F257-V260 HydrophobicContact CB-CG2 4.14Å
258F60.8Low59.9Low66 Ų6668.5 Ų68.529%0.28940%0.4SS..EExtended strand (participates in β ladder)trans-106.3139.5179.5-167.4-98000109.5F241 V278 I312F241-F258 HydrophobicContact CZ-CD2 4.25Å; F241-F258 HydrophobicContact CZ-CE2 4.3Å; F258-V278 HydrophobicContact CB-CG2 4.23Å; F258-V278 HydrophobicContact CD2-CB 4.38Å; F258-V278 HydrophobicContact CD2-CG2 3.91Å; F258-V278 HydrophobicContact CG-CG2 4.07Å; F258-I312 HydrophobicContact CE1-CG2 4.02Å; F258-I312 HydrophobicContact CZ-CD1 4.45Å; F258-I312 HydrophobicContact CZ-CG2 3.81Å
259D56.9Low58.8Low31 Ų3170.9 Ų70.917%0.16641%0.41CS..EExtended strand (participates in β ladder)trans58.746.8172.2-83.28.3000116.3R237 S239R237-D259 IonicContact CZ-OD2 2.66Å; R237-D259 IonicContact NH1-OD2 3.11Å; R237-D259 PolarHBondContact NH1-OD2 3.47Å; S239-D259 PolarHBondContact OG-N 3.14Å; S239-D259 VanDerWaalsContact OG-N 3.17Å
260V58.2Low57.8Low13 Ų1372.6 Ų72.68%0.07941%0.412CS..EExtended strand (participates in β ladder)trans-83.2130177.7-176.10000110.9Y223 L226 I227 R237 C238 F257Y223-V260 HydrophobicContact CD2-CG1 4.28Å; Y223-V260 HydrophobicContact CE2-CG1 3.72Å; L226-V260 HydrophobicContact CD1-CB 4.32Å; L226-V260 HydrophobicContact CD1-CG2 3.85Å; I227-V260 HydrophobicContact CD1-CG1 3.61Å; I227-V260 HydrophobicContact CG1-CG1 4.32Å; R237-V260 WeakPolarHBondContact CA-O 3.35Å; C238-V260 PolarHBondContact N-O 2.92Å; C238-V260 PolarHBondContact O-N 3.23Å; F257-V260 HydrophobicContact CB-CG2 4.14Å
261H55.6Low55.8Low83 Ų8370.2 Ų70.238%0.38441%0.414SS..EExtended strand (participates in β ladder)trans-108.3155.1178.775.187.3000113I227 D236 G263 T264I227-H261 WeakPolarHBondContact CD1-O 3.08Å; D236-H261 WeakPolarHBondContact O-CA 3.46Å; D236-H261 WeakPolarHBondContact O-CB 3.26Å; H261-G263 PolarHBondContact O-N 3.1Å; H261-T264 PolarHBondContact CD2-OG1 3.44Å; H261-T264 PolarHBondContact CE1-N 2.92Å; H261-T264 PolarHBondContact CE1-OG1 3.37Å; H261-T264 PolarHBondContact NE2-OG1 3.06Å; H261-T264 PolarHBondContact O-N 2.68Å; H261-T264 PolarHBondContact O-OG1 2.93Å
262A46.8Very low53.2Low48 Ų4873.2 Ų73.240%0.39744%0.438SS..THydrogen-bonded Turntrans-71.786.7176.600000111.5C230 L231C230-A262 HydrophobicContact CB-CB 4.44Å; L231-A262 HydrophobicContact CD2-CB 4.2Å
263G42.7Very low50.8Low44 Ų4481 Ų8145%0.45447%0.471SS..THydrogen-bonded Turntrans153-6.3178.400000115.2H261 P265H261-G263 PolarHBondContact O-N 3.1Å; G263-P265 WeakPolarHBondContact O-CD 3.01Å
264T46.6Very low48.8Very low52 Ų5287.8 Ų87.832%0.31951%0.508SS..  trans-67.4122.6179.6-34.30000111.2Y223 H261Y223-T264 PolarHBondContact OH-O 3.36Å; H261-T264 PolarHBondContact CD2-OG1 3.44Å; H261-T264 PolarHBondContact CE1-N 2.92Å; H261-T264 PolarHBondContact CE1-OG1 3.37Å; H261-T264 PolarHBondContact NE2-OG1 3.06Å; H261-T264 PolarHBondContact O-N 2.68Å; H261-T264 PolarHBondContact O-OG1 2.93Å
265P36.7Very low47Very low105 Ų10592 Ų9268%0.68254%0.538SS*.  trans-74148.5170.630.4-32.8000110.7G263 L267G263-P265 WeakPolarHBondContact O-CD 3.01Å; P265-L267 PolarHBondContact O-N 3.32Å
266L39.9Very low45.7Very low145 Ų14599.4 Ų99.476%0.75958%0.577SS**SBendtrans-57.1102.3-176.2-79.3161.8000113.1Y223Y223-L266 HydrophobicContact CD1-CD2 4.26Å; Y223-L266 HydrophobicContact CE1-CD2 3.99Å
267L32.8Very low45.5Very low154 Ų15497.2 Ų97.281%0.80657%0.569SS**  trans-135.1112.5157.3-77.8174.9000108.9P265P265-L267 PolarHBondContact O-N 3.32Å
268P37Very low45.7Very low100 Ų10096.9 Ų96.965%0.64957%0.571SS**  trans-66.8131.2157.328.2-28.4000107.9S270P268-S270 PolarHBondContact O-N 2.87Å
269C30.1Very low46.4Very low135 Ų13599.5 Ų99.591%0.91258%0.584SS**  trans-7175166.8-82.60000109.8S271C269-S271 PolarHBondContact O-N 3.34Å
270S37.8Very low47.5Very low103 Ų10399.3 Ų99.372%0.7258%0.584SS**  trans-85.676.517960.70000111.3P268P268-S270 PolarHBondContact O-N 2.87Å
271S31.8Very low48.6Very low104 Ų104101.8 Ų101.873%0.72760%0.601SS**  trans-167.663.4165.345.10000114.2C269C269-S271 PolarHBondContact O-N 3.34Å
272T29.1Very low50Low123 Ų123101 Ų10176%0.75559%0.594SS**  trans-174.5136.5140.315.80000110N274T272-N274 PolarHBondContact O-N 2.79Å; T272-N274 VanDerWaalsContact O-N 3.08Å
273E37.7Very low51.6Low201 Ų201100 Ų10094%0.93959%0.588SS**SBendtrans-78.420.4-177.5-67.7-174.4126.400114.3
274N41.6Very low53.5Low143 Ų143104.7 Ų104.777%0.76560%0.596SS**SBendtrans-160.4160.5169.7-94.2-48.1000110.2T272T272-N274 PolarHBondContact O-N 2.79Å; T272-N274 VanDerWaalsContact O-N 3.08Å
275S46.4Very low55.3Low98 Ų98104 Ų10469%0.68560%0.599SS**  trans59.188176.3660000117.3
276N52.8Low57.7Low155 Ų15599.4 Ų99.483%0.82957%0.569SS**  -165.125.3126.9-94.4-13.9000112.8
277E65.9Low59.9Low89 Ų8993.5 Ų93.542%0.41654%0.538SS..  trans-79.6120.2169.4-66.2-170.5156.200109.5V254 S255 K256 Q279V254-E277 HydrophobicContact CG1-CB 4.07Å; V254-E277 HydrophobicContact CG1-CG 4.49Å; S255-E277 WeakPolarHBondContact O-CA 3.33Å; K256-E277 WeakPolarHBondContact CE-OE1 3.34Å; K256-E277 HydrophobicContact CG-CG 4.32Å; K256-E277 IonicContact NZ-OE1 2.86Å; K256-E277 PolarHBondContact NZ-OE1 2.86Å; K256-E277 VanDerWaalsContact NZ-OE1 3.11Å; E277-Q279 PolarHBondContact O-N 3.27Å
278V71.8Confident62.4Low42 Ų4286.2 Ų86.226%0.25550%0.5SS..EExtended strand (participates in β ladder)trans-86.1112.1178-177.90000108.5F241 S255 F258F241-V278 HydrophobicContact CE1-CB 4.3Å; F241-V278 HydrophobicContact CE1-CG1 4.07Å; S255-V278 PolarHBondContact N-O 3.34Å; S255-V278 PolarHBondContact O-N 3.39Å; F258-V278 HydrophobicContact CB-CG2 4.23Å; F258-V278 HydrophobicContact CD2-CB 4.38Å; F258-V278 HydrophobicContact CD2-CG2 3.91Å; F258-V278 HydrophobicContact CG-CG2 4.07Å
279Q76.2Confident64.9Low121 Ų12184 Ų8457%0.56548%0.479SS*.EExtended strand (participates in β ladder)trans-101.6120.6179.7-58.5-167.4-200111.2L253 V254 E277L253-Q279 CarbonylContact O-C 3.55Å; L253-Q279 WeakPolarHBondContact O-CA 3.47Å; V254-Q279 HydrophobicContact CG1-CG 4.37Å; V254-Q279 HydrophobicContact CG2-CG 4.18Å; E277-Q279 PolarHBondContact O-N 3.27Å
280V79.3Confident67.8Low27 Ų2777.6 Ų77.616%0.16444%0.436CS..EExtended strand (participates in β ladder)trans-108.1123175.5-1780000108.9F241 L253 K284F241-V280 HydrophobicContact CD1-CG2 4.12Å; F241-V280 HydrophobicContact CE1-CG2 3.79Å; L253-V280 HydrophobicContact CB-CB 4.14Å; L253-V280 PolarHBondContact N-O 2.97Å; L253-V280 PolarHBondContact O-N 2.8Å; V280-K284 WeakPolarHBondContact CG1-O 3.33Å
281P82Confident70.3Confident66 Ų6672.7 Ų72.743%0.42940%0.401SS..EExtended strand (participates in β ladder)trans-63.5144.5173.9-22.333.9000112K284P281-K284 HydrophobicContact CB-CB 4.32Å; P281-K284 HydrophobicContact CB-CD 4.03Å; P281-K284 HydrophobicContact CB-CG 4.19Å; P281-K284 HydrophobicContact CG-CD 4.21Å; P281-K284 PolarHBondContact O-N 3.15Å
282W84.9Confident73Confident65 Ų6572.4 Ų72.425%0.24639%0.388CS..THydrogen-bonded Turntrans-53.3139.2175.1-156.1-98.9000111.9V243 K251 L253 K284 G291V243-W282 HydrophobicContact CG1-CH2 4.48Å; V243-W282 HydrophobicContact CG1-CZ3 3.98Å; V243-W282 HydrophobicContact CG2-CH2 4.13Å; V243-W282 HydrophobicContact CG2-CZ3 3.77Å; K251-W282 HydrophobicContact CB-CD2 3.8Å; K251-W282 HydrophobicContact CB-CE3 3.52Å; K251-W282 HydrophobicContact CB-CG 4.34Å; K251-W282 HydrophobicContact CB-CZ3 3.93Å; K251-W282 HydrophobicContact CD-CD2 4.33Å; K251-W282 HydrophobicContact CD-CE3 4.29Å; K251-W282 HydrophobicContact CD-CH2 3.78Å; K251-W282 HydrophobicContact CD-CZ2 3.79Å; K251-W282 HydrophobicContact CD-CZ3 4.03Å; L253-W282 HydrophobicContact CD1-CE3 4.43Å; L253-W282 HydrophobicContact CD1-CZ3 4.47Å; L253-W282 HydrophobicContact CD2-CZ3 4.33Å; L253-W282 HydrophobicContact CG-CE3 4.24Å; L253-W282 HydrophobicContact CG-CZ3 4.14Å; W282-K284 PolarHBondContact O-N 3.17Å; W282-K284 VanDerWaalsContact O-N 3.14Å; W282-G291 VanDerWaalsContact CH2-O 3.23Å; W282-G291 WeakPolarHBondContact CH2-O 3.43Å; W282-G291 WeakPolarHBondContact CZ2-O 3.32Å
283G81.1Confident75.9Confident27 Ų2771.1 Ų71.128%0.27837%0.374SS..THydrogen-bonded Turntrans70.4-4-179.200000116.3G288 E292G283-G288 WeakPolarHBondContact CA-O 3.22Å; G283-G288 PolarHBondContact N-O 3.11Å; G283-E292 WeakPolarHBondContact CA-OE2 3.46Å
284K82.3Confident78.4Confident143 Ų14362.1 Ų62.162%0.62234%0.335SS*.  trans-98.8133.5-179-67.4-162.9178.8-175.20113.6V280 P281 W282 G288V280-K284 WeakPolarHBondContact CG1-O 3.33Å; P281-K284 HydrophobicContact CB-CB 4.32Å; P281-K284 HydrophobicContact CB-CD 4.03Å; P281-K284 HydrophobicContact CB-CG 4.19Å; P281-K284 HydrophobicContact CG-CD 4.21Å; P281-K284 PolarHBondContact O-N 3.15Å; W282-K284 PolarHBondContact O-N 3.17Å; W282-K284 VanDerWaalsContact O-N 3.14Å; K284-G288 VanDerWaalsContact O-CA 3.26Å; K284-G288 WeakPolarHBondContact O-CA 3.41Å; K284-G288 PolarHBondContact O-N 3.34Å; K284-G288 VanDerWaalsContact O-N 3.14Å
285G84.1Confident80.7Confident37 Ų3760 Ų6038%0.38132%0.321SS..Hα-helixtrans67-178-177.800000113I287 G288 Y289 R307G285-I287 VanDerWaalsContact C-N 3.33Å; G285-I287 PolarHBondContact O-N 2.94Å; G285-G288 PolarHBondContact O-N 2.74Å; G285-Y289 WeakPolarHBondContact O-CB 3.27Å; G285-Y289 PolarHBondContact O-N 3.16Å; G285-R307 WeakPolarHBondContact CA-O 3.09Å
286I86.2Confident82.9Confident10 Ų1058 Ų585%0.05130%0.304CS..Hα-helixtrans-57-45.9179.9-64.2161.1000111.4Y289 V290 V297 I299 R307 F308 L323 C325I286-Y289 PolarHBondContact O-N 2.95Å; I286-V290 WeakPolarHBondContact O-CG2 3.38Å; I286-V290 PolarHBondContact O-N 3.18Å; I286-V297 HydrophobicContact CG2-CB 4.42Å; I286-V297 HydrophobicContact CG2-CG1 3.99Å; I286-I299 HydrophobicContact CD1-CD1 3.57Å; I286-I299 HydrophobicContact CG1-CD1 4.06Å; I286-I299 HydrophobicContact CG2-CD1 4.36Å; I286-R307 HydrophobicContact CG1-CB 3.88Å; I286-R307 PolarHBondContact N-O 3.38Å; I286-F308 HydrophobicContact CD1-CB 3.98Å; I286-F308 HydrophobicContact CD1-CD2 4.05Å; I286-L323 HydrophobicContact CD1-CD1 3.65Å; I286-C325 HydrophobicContact CG2-CB 4.22Å
287I86.9Confident84.9Confident21 Ų2151.1 Ų51.111%0.10827%0.267CS..Hα-helixtrans-69-41.2-175.8-50.8167.8000110.8F241 L253 G285 V290 G291 V338F241-I287 HydrophobicContact CB-CG2 4.33Å; F241-I287 HydrophobicContact CD2-CD1 4.13Å; F241-I287 HydrophobicContact CD2-CG2 3.84Å; F241-I287 HydrophobicContact CE1-CD1 4.42Å; F241-I287 HydrophobicContact CE2-CD1 3.54Å; F241-I287 HydrophobicContact CE2-CG2 4.35Å; F241-I287 HydrophobicContact CG-CG2 3.99Å; F241-I287 HydrophobicContact CZ-CD1 3.72Å; L253-I287 HydrophobicContact CD1-CG2 4.24Å; G285-I287 VanDerWaalsContact C-N 3.33Å; G285-I287 PolarHBondContact O-N 2.94Å; I287-V290 PolarHBondContact O-N 3.15Å; I287-G291 PolarHBondContact O-N 3.45Å; I287-V338 HydrophobicContact CG2-CB 3.96Å; I287-V338 HydrophobicContact CG2-CG1 3.89Å; I287-V338 HydrophobicContact CG2-CG2 4.4Å
288G86Confident86.2Confident0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-67.9-35.8174.700000113.2G283 K284 G285 G291 E292G283-G288 WeakPolarHBondContact CA-O 3.22Å; G283-G288 PolarHBondContact N-O 3.11Å; K284-G288 VanDerWaalsContact O-CA 3.26Å; K284-G288 WeakPolarHBondContact O-CA 3.41Å; K284-G288 PolarHBondContact O-N 3.34Å; K284-G288 VanDerWaalsContact O-N 3.14Å; G285-G288 PolarHBondContact O-N 2.74Å; G288-G291 PolarHBondContact O-N 2.82Å; G288-E292 WeakPolarHBondContact O-CB 3.35Å; G288-E292 PolarHBondContact O-N 3.49Å
289Y88.6Confident87.1Confident55 Ų5547.6 Ų47.622%0.21625%0.25CC..Hα-helixtrans-60.5-49172.5177-86.8000111.2G285 I286 G291 E292 H293 E295 V297 R307G285-Y289 WeakPolarHBondContact O-CB 3.27Å; G285-Y289 PolarHBondContact O-N 3.16Å; I286-Y289 PolarHBondContact O-N 2.95Å; Y289-G291 VanDerWaalsContact C-N 3.33Å; Y289-G291 PolarHBondContact O-N 2.94Å; Y289-E292 PolarHBondContact O-N 2.88Å; Y289-H293 AromaticContact CD2-CE1 3.71Å; Y289-H293 AromaticContact CD2-ND1 3.55Å; Y289-H293 HydrophobicContact CE1-CB 4.27Å; Y289-H293 AromaticContact CE2-CD2 3.95Å; Y289-H293 AromaticContact CE2-CE1 3.65Å; Y289-H293 AromaticContact CE2-CG 3.8Å; Y289-H293 AromaticContact CE2-ND1 3.57Å; Y289-H293 AromaticContact CE2-NE2 3.87Å; Y289-H293 AromaticContact CZ-CG 3.83Å; Y289-H293 WeakPolarHBondContact O-CB 3.46Å; Y289-H293 PolarHBondContact O-N 2.91Å; Y289-H293 PolarHBondContact O-ND1 3.42Å; Y289-H293 VanDerWaalsContact O-ND1 3.13Å; Y289-E295 HydrophobicContact CE1-CB 4.48Å; Y289-E295 PolarHBondContact OH-OE2 3.08Å; Y289-V297 HydrophobicContact CD1-CG2 3.97Å; Y289-V297 HydrophobicContact CE1-CG2 4.09Å; Y289-R307 VanDerWaalsContact CD1-NH1 3.32Å
290V91.6Very high87.6Confident0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-62.5-39.7177.2172.80000111.5I286 I287 G294 V297 C325 P327 V338I286-V290 WeakPolarHBondContact O-CG2 3.38Å; I286-V290 PolarHBondContact O-N 3.18Å; I287-V290 PolarHBondContact O-N 3.15Å; V290-G294 VanDerWaalsContact O-CA 3.25Å; V290-G294 WeakPolarHBondContact O-CA 3.26Å; V290-G294 PolarHBondContact O-N 3.18Å; V290-V297 HydrophobicContact CG2-CB 3.93Å; V290-V297 HydrophobicContact CG2-CG2 3.63Å; V290-C325 HydrophobicContact CG2-CB 3.91Å; V290-P327 HydrophobicContact CG1-CB 4.08Å; V290-P327 HydrophobicContact CG1-CG 4.31Å; V290-V338 HydrophobicContact CB-CG1 4.12Å; V290-V338 HydrophobicContact CG1-CG1 3.66Å; V290-V338 HydrophobicContact CG1-CG2 4.13Å
291G89.3Confident88Confident0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-64-38.3174.500000113.5W282 I287 G288 Y289 I335W282-G291 VanDerWaalsContact CH2-O 3.23Å; W282-G291 WeakPolarHBondContact CH2-O 3.43Å; W282-G291 WeakPolarHBondContact CZ2-O 3.32Å; I287-G291 PolarHBondContact O-N 3.45Å; G288-G291 PolarHBondContact O-N 2.82Å; Y289-G291 VanDerWaalsContact C-N 3.33Å; Y289-G291 PolarHBondContact O-N 2.94Å; G291-I335 WeakPolarHBondContact O-CD1 3.35Å
292E89.3Confident88.2Confident97 Ų9744.5 Ų44.545%0.45324%0.238SC..Hα-helixtrans-79.3-46.6-177.7-178.4170-125.900113.6G283 G288 Y289G283-E292 WeakPolarHBondContact CA-OE2 3.46Å; G288-E292 WeakPolarHBondContact O-CB 3.35Å; G288-E292 PolarHBondContact O-N 3.49Å; Y289-E292 PolarHBondContact O-N 2.88Å
293H89.9Confident88.2Confident96 Ų9646.1 Ų46.144%0.44425%0.245SC..Hα-helixtrans-91.8-24.6-174.3-62.171.4000112.2Y289 E295Y289-H293 AromaticContact CD2-CE1 3.71Å; Y289-H293 AromaticContact CD2-ND1 3.55Å; Y289-H293 HydrophobicContact CE1-CB 4.27Å; Y289-H293 AromaticContact CE2-CD2 3.95Å; Y289-H293 AromaticContact CE2-CE1 3.65Å; Y289-H293 AromaticContact CE2-CG 3.8Å; Y289-H293 AromaticContact CE2-ND1 3.57Å; Y289-H293 AromaticContact CE2-NE2 3.87Å; Y289-H293 AromaticContact CZ-CG 3.83Å; Y289-H293 WeakPolarHBondContact O-CB 3.46Å; Y289-H293 PolarHBondContact O-N 2.91Å; Y289-H293 PolarHBondContact O-ND1 3.42Å; Y289-H293 VanDerWaalsContact O-ND1 3.13Å; H293-E295 VanDerWaalsContact C-N 3.26Å; H293-E295 HydrophobicContact CB-CG 4.11Å; H293-E295 PolarHBondContact O-N 3.46Å
294G89.6Confident88.5Confident12 Ų1252.2 Ų52.212%0.12427%0.266CS..  trans70.821.4-178.100000114.5V290 P327 R329 I335V290-G294 VanDerWaalsContact O-CA 3.25Å; V290-G294 WeakPolarHBondContact O-CA 3.26Å; V290-G294 PolarHBondContact O-N 3.18Å; G294-P327 WeakPolarHBondContact O-CG 3.5Å; G294-R329 PolarHBondContact O-NH2 3.42Å; G294-I335 VanDerWaalsContact CA-CD1 3.47Å
295E91.1Very high88.6Confident100 Ų10047 Ų4747%0.46725%0.245SC..  trans-95.9145.1177.8-62.7-179.6156.900111.1Y289 H293Y289-E295 HydrophobicContact CE1-CB 4.48Å; Y289-E295 PolarHBondContact OH-OE2 3.08Å; H293-E295 VanDerWaalsContact C-N 3.26Å; H293-E295 HydrophobicContact CB-CG 4.11Å; H293-E295 PolarHBondContact O-N 3.46Å
296T92.9Very high88.7Confident54 Ų5457.2 Ų57.233%0.33127%0.272SS..  trans-71.8139.7171.2-53.50000110.1L324 M326 E356T296-L324 HydrophobicContact CG2-CD1 3.98Å; T296-M326 HydrophobicContact CG2-CB 4.35Å; T296-M326 HydrophobicContact CG2-CE 3.58Å; T296-M326 HydrophobicContact CG2-CG 4.38Å; T296-E356 HydrophobicContact CG2-CG 4.39Å
297V93.5Very high88.6Confident11 Ų1160.8 Ų60.87%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-126.81121761740000109.5I286 Y289 V290 I299 C325I286-V297 HydrophobicContact CG2-CB 4.42Å; I286-V297 HydrophobicContact CG2-CG1 3.99Å; Y289-V297 HydrophobicContact CD1-CG2 3.97Å; Y289-V297 HydrophobicContact CE1-CG2 4.09Å; V290-V297 HydrophobicContact CG2-CB 3.93Å; V290-V297 HydrophobicContact CG2-CG2 3.63Å; V297-I299 HydrophobicContact CG1-CD1 3.49Å; V297-I299 VanDerWaalsContact CG1-CD1 3.49Å; V297-I299 HydrophobicContact CG1-CG1 3.66Å; V297-C325 PolarHBondContact N-O 3Å; V297-C325 PolarHBondContact O-N 3.4Å
298N93.3Very high88.5Confident46 Ų4661.8 Ų61.825%0.24629%0.288CS..EExtended strand (participates in β ladder)trans-110.9120.9172.4-177.7-1.5000108.8L323 L324 F351 E356N298-L323 CarbonylContact C-O 3.48Å; N298-L323 WeakPolarHBondContact CA-O 3.46Å; N298-L324 HydrophobicContact CB-CD1 4.05Å; N298-F351 PolarHBondContact ND2-O 2.96Å; N298-E356 WeakPolarHBondContact CB-OE1 3.22Å; N298-E356 PolarHBondContact ND2-OE1 3.26Å
299I91.4Very high88.2Confident11 Ų1165.7 Ų65.76%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-125.5119.9-174.9-62.7161.4000108.7I286 V297 D301 D305 S322 L323I286-I299 HydrophobicContact CD1-CD1 3.57Å; I286-I299 HydrophobicContact CG1-CD1 4.06Å; I286-I299 HydrophobicContact CG2-CD1 4.36Å; V297-I299 HydrophobicContact CG1-CD1 3.49Å; V297-I299 VanDerWaalsContact CG1-CD1 3.49Å; V297-I299 HydrophobicContact CG1-CG1 3.66Å; I299-D301 VanDerWaalsContact CG2-C 3.49Å; I299-D301 VanDerWaalsContact CG2-O 3.31Å; I299-D301 WeakPolarHBondContact CG2-O 3.47Å; I299-D305 HydrophobicContact CD1-CB 3.96Å; I299-D305 WeakPolarHBondContact CD1-OD2 3.33Å; I299-D305 HydrophobicContact CG2-CB 4.29Å; I299-S322 WeakPolarHBondContact O-CA 3.49Å; I299-L323 HydrophobicContact CB-CB 4.37Å; I299-L323 PolarHBondContact N-O 3.36Å; I299-L323 PolarHBondContact O-N 2.95Å
300P86.6Confident87.6Confident91 Ų9165.2 Ų65.259%0.59131%0.31SS*.SBendtrans-78.3-27.1179.530.9-35.2000113.7P350P300-P350 HydrophobicContact CB-CB 3.92Å
301D87.1Confident86.7Confident59 Ų5971.3 Ų71.332%0.31634%0.339SS..  trans-138.6105.6173.1-174.7-6.9000110.3I299 Y303 Q304 K321I299-D301 VanDerWaalsContact CG2-C 3.49Å; I299-D301 VanDerWaalsContact CG2-O 3.31Å; I299-D301 WeakPolarHBondContact CG2-O 3.47Å; D301-Y303 VanDerWaalsContact C-N 3.27Å; D301-Y303 PolarHBondContact O-N 3.44Å; D301-Y303 PolarHBondContact OD1-N 2.93Å; D301-Y303 VanDerWaalsContact OD1-N 3.15Å; D301-Q304 HydrophobicContact CB-CB 4.49Å; D301-Q304 HydrophobicContact CB-CG 4.04Å; D301-Q304 PolarHBondContact O-N 3.49Å; D301-Q304 VanDerWaalsContact O-N 3.11Å; D301-Q304 PolarHBondContact OD2-NE2 2.93Å; D301-K321 CarbonylContact C-O 3.46Å; D301-K321 WeakPolarHBondContact CA-O 3.48Å
302A86Confident85.9Confident0 Ų074.8 Ų74.80%036%0.357CS..G310 helixtrans-61-32.8-17600000113Q304 D305 F308 T320 K321 L323A302-Q304 PolarHBondContact O-N 3.41Å; A302-D305 PolarHBondContact O-N 3.42Å; A302-F308 HydrophobicContact CB-CD1 4.11Å; A302-F308 HydrophobicContact CB-CD2 3.95Å; A302-F308 HydrophobicContact CB-CE1 4.21Å; A302-F308 HydrophobicContact CB-CE2 4.07Å; A302-F308 HydrophobicContact CB-CG 3.99Å; A302-F308 HydrophobicContact CB-CZ 4.21Å; A302-F308 WeakPolarHBondContact O-CB 3.29Å; A302-F308 WeakPolarHBondContact O-CD1 3.46Å; A302-F308 WeakPolarHBondContact O-CG 3.48Å; A302-T320 HydrophobicContact CB-CG2 3.71Å; A302-K321 PolarHBondContact N-O 3.35Å; A302-L323 HydrophobicContact CB-CD1 3.95Å; A302-L323 HydrophobicContact CB-CG 4.32Å
303Y85.8Confident85.3Confident99 Ų9970.7 Ų70.739%0.38834%0.338SS..G310 helixtrans-71.8-8.9179.3-76.7-91.4000113.4D301 F308 D310 D313 K319 T320D301-Y303 VanDerWaalsContact C-N 3.27Å; D301-Y303 PolarHBondContact O-N 3.44Å; D301-Y303 PolarHBondContact OD1-N 2.93Å; D301-Y303 VanDerWaalsContact OD1-N 3.15Å; Y303-F308 HydrophobicContact CD1-CE1 4.42Å; Y303-F308 HydrophobicContact CD2-CE1 4.28Å; Y303-F308 HydrophobicContact CE1-CE1 4.26Å; Y303-F308 HydrophobicContact CE2-CE1 4.11Å; Y303-F308 HydrophobicContact CG-CE1 4.44Å; Y303-D310 HydrophobicContact CE1-CB 3.76Å; Y303-D313 PolarHBondContact OH-OD2 3.3Å; Y303-K319 HydrophobicContact CE2-CD 4.45Å; Y303-K319 HydrophobicContact CE2-CG 3.96Å; Y303-T320 WeakPolarHBondContact CE2-O 3.39Å
304Q86.3Confident84.6Confident155 Ų15572.9 Ų72.972%0.72435%0.346SS*.G310 helixtrans-94-15.5174.2-60-175.934.800113.1D301 A302D301-Q304 HydrophobicContact CB-CB 4.49Å; D301-Q304 HydrophobicContact CB-CG 4.04Å; D301-Q304 PolarHBondContact O-N 3.49Å; D301-Q304 VanDerWaalsContact O-N 3.11Å; D301-Q304 PolarHBondContact OD2-NE2 2.93Å; A302-Q304 PolarHBondContact O-N 3.41Å
305D86.2Confident83.7Confident33 Ų3379.5 Ų79.518%0.17638%0.378CS..  trans-87123.7177.5-165.2-52.8000111.3I299 A302 R307 F308I299-D305 HydrophobicContact CD1-CB 3.96Å; I299-D305 WeakPolarHBondContact CD1-OD2 3.33Å; I299-D305 HydrophobicContact CG2-CB 4.29Å; A302-D305 PolarHBondContact O-N 3.42Å; D305-R307 PolarHBondContact O-N 3.33Å; D305-R307 WeakPolarHBondContact OD1-CB 3.29Å; D305-R307 WeakPolarHBondContact OD1-CG 3.37Å; D305-R307 IonicContact OD1-CZ 3.87Å; D305-R307 PolarHBondContact OD1-N 3.48Å; D305-R307 IonicContact OD1-NE 2.99Å; D305-R307 PolarHBondContact OD1-NE 3.19Å; D305-R307 IonicContact OD1-NH2 3.84Å; D305-R307 IonicContact OD2-CZ 3.45Å; D305-R307 IonicContact OD2-NE 3.35Å; D305-R307 PolarHBondContact OD2-NE 3.42Å; D305-R307 IonicContact OD2-NH2 2.71Å; D305-R307 PolarHBondContact OD2-NH2 3.1Å; D305-F308 WeakPolarHBondContact O-CB 3.21Å; D305-F308 PolarHBondContact O-N 2.81Å; D305-F308 VanDerWaalsContact O-N 3.07Å
306R84.3Confident82.6Confident252 Ų25278 Ų7895%0.95138%0.375SS*.THydrogen-bonded Turntrans-63.5-13.2-179.5-63.2-179.1-179.8175.50.1114.4
307R85.4Confident81.7Confident84 Ų8478.9 Ų78.932%0.31740%0.395SS..THydrogen-bonded Turntrans-94.1-7.7178.9-55.9168.7-69.1-178.40.5112.5G285 I286 Y289 D305G285-R307 WeakPolarHBondContact CA-O 3.09Å; I286-R307 HydrophobicContact CG1-CB 3.88Å; I286-R307 PolarHBondContact N-O 3.38Å; Y289-R307 VanDerWaalsContact CD1-NH1 3.32Å; D305-R307 PolarHBondContact O-N 3.33Å; D305-R307 WeakPolarHBondContact OD1-CB 3.29Å; D305-R307 WeakPolarHBondContact OD1-CG 3.37Å; D305-R307 IonicContact OD1-CZ 3.87Å; D305-R307 PolarHBondContact OD1-N 3.48Å; D305-R307 IonicContact OD1-NE 2.99Å; D305-R307 PolarHBondContact OD1-NE 3.19Å; D305-R307 IonicContact OD1-NH2 3.84Å; D305-R307 IonicContact OD2-CZ 3.45Å; D305-R307 IonicContact OD2-NE 3.35Å; D305-R307 PolarHBondContact OD2-NE 3.42Å; D305-R307 IonicContact OD2-NH2 2.71Å; D305-R307 PolarHBondContact OD2-NH2 3.1Å
308F84.2Confident81.1Confident42 Ų4280 Ų8018%0.18440%0.399CS..  trans-73.5143.7175.6-176.5-118000110.7I286 A302 Y303 D305 D310 T320 L323I286-F308 HydrophobicContact CD1-CB 3.98Å; I286-F308 HydrophobicContact CD1-CD2 4.05Å; A302-F308 HydrophobicContact CB-CD1 4.11Å; A302-F308 HydrophobicContact CB-CD2 3.95Å; A302-F308 HydrophobicContact CB-CE1 4.21Å; A302-F308 HydrophobicContact CB-CE2 4.07Å; A302-F308 HydrophobicContact CB-CG 3.99Å; A302-F308 HydrophobicContact CB-CZ 4.21Å; A302-F308 WeakPolarHBondContact O-CB 3.29Å; A302-F308 WeakPolarHBondContact O-CD1 3.46Å; A302-F308 WeakPolarHBondContact O-CG 3.48Å; Y303-F308 HydrophobicContact CD1-CE1 4.42Å; Y303-F308 HydrophobicContact CD2-CE1 4.28Å; Y303-F308 HydrophobicContact CE1-CE1 4.26Å; Y303-F308 HydrophobicContact CE2-CE1 4.11Å; Y303-F308 HydrophobicContact CG-CE1 4.44Å; D305-F308 WeakPolarHBondContact O-CB 3.21Å; D305-F308 PolarHBondContact O-N 2.81Å; D305-F308 VanDerWaalsContact O-N 3.07Å; F308-D310 HydrophobicContact CD1-CB 4.41Å; F308-D310 HydrophobicContact CE1-CB 3.86Å; F308-T320 HydrophobicContact CE2-CG2 3.78Å; F308-T320 HydrophobicContact CZ-CG2 3.98Å; F308-L323 HydrophobicContact CD2-CD1 4.1Å; F308-L323 HydrophobicContact CE2-CD1 4.3Å
309N79.6Confident80.7Confident82 Ų8283.7 Ų83.744%0.43941%0.413SS..  trans-120.5116173.7-177.24000108.7E311N309-E311 VanDerWaalsContact C-N 3.34Å; N309-E311 PolarHBondContact ND2-OE2 2.89Å; N309-E311 VanDerWaalsContact OD1-CB 3.32Å; N309-E311 WeakPolarHBondContact OD1-CB 3.43Å; N309-E311 WeakPolarHBondContact OD1-CG 3.43Å; N309-E311 PolarHBondContact OD1-N 3.01Å; N309-E311 PolarHBondContact OD1-OE2 2.86Å
310D77.1Confident80.4Confident45 Ų4583.5 Ų83.524%0.24141%0.412CS..THydrogen-bonded Turntrans-88.33.7-177.473.6-14.7000113.6Y303 F308 I312 D313 K314Y303-D310 HydrophobicContact CE1-CB 3.76Å; F308-D310 HydrophobicContact CD1-CB 4.41Å; F308-D310 HydrophobicContact CE1-CB 3.86Å; D310-I312 VanDerWaalsContact C-N 3.3Å; D310-I312 PolarHBondContact O-N 2.99Å; D310-D313 PolarHBondContact O-N 2.96Å; D310-K314 VanDerWaalsContact CG-CE 3.42Å; D310-K314 WeakPolarHBondContact O-CB 3.44Å; D310-K314 WeakPolarHBondContact O-CD 3.45Å; D310-K314 VanDerWaalsContact O-CG 3.26Å; D310-K314 WeakPolarHBondContact O-CG 3.41Å; D310-K314 PolarHBondContact O-N 3.43Å; D310-K314 WeakPolarHBondContact OD1-CE 3.37Å; D310-K314 IonicContact OD1-NZ 2.66Å; D310-K314 PolarHBondContact OD1-NZ 3.21Å; D310-K314 WeakPolarHBondContact OD2-CE 3.16Å; D310-K314 IonicContact OD2-NZ 2.76Å; D310-K314 PolarHBondContact OD2-NZ 3.2Å
311E72.3Confident80.4Confident129 Ų12982.6 Ų82.660%0.60340%0.399SS*.Hα-helixtrans-58.7-38.7175.2-74.3172.2158.800112.6N309 L315N309-E311 VanDerWaalsContact C-N 3.34Å; N309-E311 PolarHBondContact ND2-OE2 2.89Å; N309-E311 VanDerWaalsContact OD1-CB 3.32Å; N309-E311 WeakPolarHBondContact OD1-CB 3.43Å; N309-E311 WeakPolarHBondContact OD1-CG 3.43Å; N309-E311 PolarHBondContact OD1-N 3.01Å; N309-E311 PolarHBondContact OD1-OE2 2.86Å; E311-L315 WeakPolarHBondContact O-CB 3.25Å; E311-L315 PolarHBondContact O-N 3.17Å
312I72.3Confident80.6Confident72 Ų7280 Ų8037%0.36939%0.385SS..Hα-helixtrans-75.6-38.8179.7-55.8-177.6000111.1F258 D310 K314 L315 T316F258-I312 HydrophobicContact CE1-CG2 4.02Å; F258-I312 HydrophobicContact CZ-CD1 4.45Å; F258-I312 HydrophobicContact CZ-CG2 3.81Å; D310-I312 VanDerWaalsContact C-N 3.3Å; D310-I312 PolarHBondContact O-N 2.99Å; I312-K314 VanDerWaalsContact C-N 3.34Å; I312-K314 PolarHBondContact O-N 3Å; I312-L315 PolarHBondContact O-N 2.7Å; I312-T316 HydrophobicContact CG2-CG2 3.99Å; I312-T316 WeakPolarHBondContact O-CB 3.32Å; I312-T316 WeakPolarHBondContact O-CG2 3.18Å; I312-T316 PolarHBondContact O-N 3.04Å; I312-T316 PolarHBondContact O-OG1 3.45Å
313D75.6Confident80.8Confident12 Ų1280 Ų806%0.06439%0.385CS..Hα-helixtrans-58.4-45.4171.2-83.532.8000110.9Y303 D310 L315 T316 G317 Y318 T320Y303-D313 PolarHBondContact OH-OD2 3.3Å; D310-D313 PolarHBondContact O-N 2.96Å; D313-L315 VanDerWaalsContact C-N 3.34Å; D313-L315 PolarHBondContact O-N 3.24Å; D313-T316 PolarHBondContact O-OG1 3Å; D313-G317 WeakPolarHBondContact O-CA 3.5Å; D313-G317 PolarHBondContact O-N 3.29Å; D313-Y318 VanDerWaalsContact CA-O 3.3Å; D313-Y318 WeakPolarHBondContact CA-O 3.47Å; D313-Y318 VanDerWaalsContact CB-O 3.24Å; D313-Y318 WeakPolarHBondContact CB-O 3.32Å; D313-Y318 VanDerWaalsContact CG-O 3.26Å; D313-T320 PolarHBondContact OD1-OG1 3.27Å; D313-T320 VanDerWaalsContact OD2-CB 3.27Å; D313-T320 WeakPolarHBondContact OD2-CB 3.45Å; D313-T320 PolarHBondContact OD2-N 3.32Å; D313-T320 PolarHBondContact OD2-OG1 2.98Å
314K75.9Confident81.2Confident142 Ų14275.3 Ų75.362%0.61737%0.367SS*.Hα-helixtrans-61.7-37.7175.2-74.3163.7-179.3156.20113.1D310 I312D310-K314 VanDerWaalsContact CG-CE 3.42Å; D310-K314 WeakPolarHBondContact O-CB 3.44Å; D310-K314 WeakPolarHBondContact O-CD 3.45Å; D310-K314 VanDerWaalsContact O-CG 3.26Å; D310-K314 WeakPolarHBondContact O-CG 3.41Å; D310-K314 PolarHBondContact O-N 3.43Å; D310-K314 WeakPolarHBondContact OD1-CE 3.37Å; D310-K314 IonicContact OD1-NZ 2.66Å; D310-K314 PolarHBondContact OD1-NZ 3.21Å; D310-K314 WeakPolarHBondContact OD2-CE 3.16Å; D310-K314 IonicContact OD2-NZ 2.76Å; D310-K314 PolarHBondContact OD2-NZ 3.2Å; I312-K314 VanDerWaalsContact C-N 3.34Å; I312-K314 PolarHBondContact O-N 3Å
315L70.5Confident81.5Confident151 Ų15168 Ų6879%0.79133%0.333SS*.Hα-helixtrans-76.8-37.9-178.7-174.666.4000112.6E311 I312 D313E311-L315 WeakPolarHBondContact O-CB 3.25Å; E311-L315 PolarHBondContact O-N 3.17Å; I312-L315 PolarHBondContact O-N 2.7Å; D313-L315 VanDerWaalsContact C-N 3.34Å; D313-L315 PolarHBondContact O-N 3.24Å
316T69.1Low81.9Confident67 Ų6766.8 Ų66.841%0.41133%0.326SS..Hα-helixtrans-89.2-19.2-176.9580000113.5I312 D313 Y318I312-T316 HydrophobicContact CG2-CG2 3.99Å; I312-T316 WeakPolarHBondContact O-CB 3.32Å; I312-T316 WeakPolarHBondContact O-CG2 3.18Å; I312-T316 PolarHBondContact O-N 3.04Å; I312-T316 PolarHBondContact O-OG1 3.45Å; D313-T316 PolarHBondContact O-OG1 3Å; T316-Y318 PolarHBondContact O-N 2.78Å; T316-Y318 WeakPolarHBondContact OG1-CB 3.42Å; T316-Y318 PolarHBondContact OG1-N 2.65Å
317G73.2Confident82.4Confident73 Ų7355.3 Ų55.375%0.75328%0.284SS*.  trans71.54.4-170.500000113.8D313D313-G317 WeakPolarHBondContact O-CA 3.5Å; D313-G317 PolarHBondContact O-N 3.29Å
318Y81.1Confident82.9Confident35 Ų3551.3 Ų51.314%0.13727%0.269CS..  trans-84147.5174.7-172.6-102000109.9D236 R237 D313 T316 I342 N343D236-Y318 VanDerWaalsContact OD2-CE2 3.3Å; D236-Y318 WeakPolarHBondContact OD2-CE2 3.45Å; D236-Y318 PolarHBondContact OD2-OH 3.09Å; R237-Y318 VanDerWaalsContact NE-CE2 3.31Å; D313-Y318 VanDerWaalsContact CA-O 3.3Å; D313-Y318 WeakPolarHBondContact CA-O 3.47Å; D313-Y318 VanDerWaalsContact CB-O 3.24Å; D313-Y318 WeakPolarHBondContact CB-O 3.32Å; D313-Y318 VanDerWaalsContact CG-O 3.26Å; T316-Y318 PolarHBondContact O-N 2.78Å; T316-Y318 WeakPolarHBondContact OG1-CB 3.42Å; T316-Y318 PolarHBondContact OG1-N 2.65Å; Y318-I342 HydrophobicContact CE1-CG2 3.91Å; Y318-N343 VanDerWaalsContact CZ-ND2 3.32Å; Y318-N343 PolarHBondContact OH-ND2 3.35Å
319K84.2Confident83.2Confident123 Ų12354.4 Ų54.454%0.53528%0.28SS..  trans-114.8108.9177.6-170.5173.4-176.1175.50111.3Y303 K321 N343Y303-K319 HydrophobicContact CE2-CD 4.45Å; Y303-K319 HydrophobicContact CE2-CG 3.96Å; K319-K321 HydrophobicContact CG-CG 4.49Å; K319-K321 PolarHBondContact O-N 3.44Å; K319-N343 PolarHBondContact O-ND2 2.81Å
320T86.3Confident83.7Confident8 Ų851.6 Ų51.65%0.04927%0.266CS..  trans-72.1117.3170.8-59.60000109.3A302 Y303 F308 D313 L323 I342A302-T320 HydrophobicContact CB-CG2 3.71Å; Y303-T320 WeakPolarHBondContact CE2-O 3.39Å; F308-T320 HydrophobicContact CE2-CG2 3.78Å; F308-T320 HydrophobicContact CZ-CG2 3.98Å; D313-T320 PolarHBondContact OD1-OG1 3.27Å; D313-T320 VanDerWaalsContact OD2-CB 3.27Å; D313-T320 WeakPolarHBondContact OD2-CB 3.45Å; D313-T320 PolarHBondContact OD2-N 3.32Å; D313-T320 PolarHBondContact OD2-OG1 2.98Å; T320-L323 HydrophobicContact CG2-CD1 3.83Å; T320-L323 HydrophobicContact CG2-CD2 3.62Å; T320-L323 HydrophobicContact CG2-CG 3.6Å; T320-I342 HydrophobicContact CG2-CG2 4.02Å
321K86.9Confident84Confident72 Ų7254 Ų5431%0.31329%0.286SS..  trans-107.4-66.1177.3-56.8173.7-179.8177.90109.8D301 A302 K319 N343 E347D301-K321 CarbonylContact C-O 3.46Å; D301-K321 WeakPolarHBondContact CA-O 3.48Å; A302-K321 PolarHBondContact N-O 3.35Å; K319-K321 HydrophobicContact CG-CG 4.49Å; K319-K321 PolarHBondContact O-N 3.44Å; K321-N343 WeakPolarHBondContact CA-OD1 3.41Å; K321-N343 VanDerWaalsContact CB-OD1 3.25Å; K321-N343 WeakPolarHBondContact CB-OD1 3.14Å; K321-N343 PolarHBondContact N-OD1 2.94Å; K321-E347 IonicContact NZ-OE1 2.57Å; K321-E347 PolarHBondContact NZ-OE1 3.06Å
322S90.3Very high84.5Confident4 Ų454.4 Ų54.43%0.02829%0.293CS..  trans-109.1145.8177.9520000111.9I299 N343 K344 A349I299-S322 WeakPolarHBondContact O-CA 3.49Å; S322-N343 PolarHBondContact N-OD1 3.43Å; S322-N343 VanDerWaalsContact N-OD1 3.15Å; S322-N343 PolarHBondContact O-N 3.11Å; S322-K344 PolarHBondContact OG-N 3.25Å; S322-A349 PolarHBondContact OG-O 2.88Å
323L90.9Very high85.1Confident1 Ų152.6 Ų52.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-135.8134.1-177.7-74.5176.4000111.1I286 N298 I299 A302 F308 T320 Q340 A341 I342I286-L323 HydrophobicContact CD1-CD1 3.65Å; N298-L323 CarbonylContact C-O 3.48Å; N298-L323 WeakPolarHBondContact CA-O 3.46Å; I299-L323 HydrophobicContact CB-CB 4.37Å; I299-L323 PolarHBondContact N-O 3.36Å; I299-L323 PolarHBondContact O-N 2.95Å; A302-L323 HydrophobicContact CB-CD1 3.95Å; A302-L323 HydrophobicContact CB-CG 4.32Å; F308-L323 HydrophobicContact CD2-CD1 4.1Å; F308-L323 HydrophobicContact CE2-CD1 4.3Å; T320-L323 HydrophobicContact CG2-CD1 3.83Å; T320-L323 HydrophobicContact CG2-CD2 3.62Å; T320-L323 HydrophobicContact CG2-CG 3.6Å; L323-Q340 HydrophobicContact CD2-CG 4.29Å; L323-A341 WeakPolarHBondContact CA-O 3.35Å; L323-I342 HydrophobicContact CD2-CB 4.16Å; L323-I342 HydrophobicContact CD2-CD1 4.4Å; L323-I342 HydrophobicContact CD2-CG1 3.73Å; L323-I342 HydrophobicContact CD2-CG2 3.98Å
324L93.6Very high85.8Confident0 Ų056.2 Ų56.20%031%0.309CS..EExtended strand (participates in β ladder)trans-124.4115.7167.117260.3000108.9V233 T296 N298 Q340 A341 F351 D355 E356 M359V233-L324 HydrophobicContact CG1-CD2 4.39Å; T296-L324 HydrophobicContact CG2-CD1 3.98Å; N298-L324 HydrophobicContact CB-CD1 4.05Å; L324-Q340 CarbonylContact O-C 3.59Å; L324-Q340 WeakPolarHBondContact O-CA 3.33Å; L324-A341 HydrophobicContact CB-CB 4.4Å; L324-A341 PolarHBondContact N-O 3.08Å; L324-A341 PolarHBondContact O-N 2.89Å; L324-F351 HydrophobicContact CB-CB 4.17Å; L324-F351 HydrophobicContact CB-CD1 4.22Å; L324-F351 HydrophobicContact CB-CD2 3.67Å; L324-F351 HydrophobicContact CB-CE2 4.07Å; L324-F351 HydrophobicContact CB-CG 3.76Å; L324-F351 HydrophobicContact CD2-CB 4.3Å; L324-F351 HydrophobicContact CD2-CD1 4.23Å; L324-F351 HydrophobicContact CD2-CG 4.28Å; L324-D355 HydrophobicContact CD2-CB 4.18Å; L324-E356 HydrophobicContact CD1-CG 3.77Å; L324-M359 HydrophobicContact CD2-SD 3.73Å; L324-M359 HydrophobicContact CG-SD 3.83Å
325C93.4Very high86.5Confident0 Ų050.3 Ų50.30%028%0.284CS..EExtended strand (participates in β ladder)trans-121.2129.6-179.3-62.80000110.3I286 V290 V297 A339I286-C325 HydrophobicContact CG2-CB 4.22Å; V290-C325 HydrophobicContact CG2-CB 3.91Å; V297-C325 PolarHBondContact N-O 3Å; V297-C325 PolarHBondContact O-N 3.4Å; C325-A339 WeakPolarHBondContact CA-O 3.34Å
326M94.9Very high87.5Confident8 Ų844.2 Ų44.24%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-141.9139.7-178-170.1-179.2-71.200111.1T296 A339 E356 M359 Q360 L363T296-M326 HydrophobicContact CG2-CB 4.35Å; T296-M326 HydrophobicContact CG2-CE 3.58Å; T296-M326 HydrophobicContact CG2-CG 4.38Å; M326-A339 PolarHBondContact N-O 2.78Å; M326-A339 PolarHBondContact O-N 3.33Å; M326-E356 HydrophobicContact CE-CB 4.47Å; M326-E356 WeakPolarHBondContact CE-O 3.28Å; M326-M359 HydrophobicContact CB-CE 4.14Å; M326-M359 HydrophobicContact CB-CG 4.47Å; M326-M359 HydrophobicContact CB-SD 4.18Å; M326-M359 HydrophobicContact CE-CB 4.14Å; M326-M359 HydrophobicContact CE-CG 4.35Å; M326-M359 HydrophobicContact SD-CB 4.22Å; M326-M359 HydrophobicContact SD-CG 4.01Å; M326-Q360 HydrophobicContact CE-CB 4.01Å; M326-Q360 VanDerWaalsContact SD-CA 3.55Å; M326-Q360 HydrophobicContact SD-CB 3.9Å; M326-Q360 HydrophobicContact SD-CG 4.45Å; M326-L363 HydrophobicContact CB-CD1 3.72Å; M326-L363 HydrophobicContact CG-CD1 3.72Å; M326-L363 HydrophobicContact SD-CD1 3.82Å
327P94.6Very high88.6Confident12 Ų1241 Ų418%0.07823%0.232CC..EExtended strand (participates in β ladder)trans-78142.4-177.932.2-34.8000111.7V290 G294 I335V290-P327 HydrophobicContact CG1-CB 4.08Å; V290-P327 HydrophobicContact CG1-CG 4.31Å; G294-P327 WeakPolarHBondContact O-CG 3.5Å; P327-I335 HydrophobicContact CB-CD1 4.39Å; P327-I335 HydrophobicContact CB-CG1 4.31Å; P327-I335 HydrophobicContact CB-CG2 4.13Å
328I94.3Very high89.5Confident0 Ų037.5 Ų37.50%020%0.196CC..EExtended strand (participates in β ladder)trans-93.4122.7169.3-55.6-175.2000108.2L240 I335 I336 G337 A339 L363 C366 G367 I370L240-I328 HydrophobicContact CD1-CD1 3.5Å; L240-I328 VanDerWaalsContact CD1-CD1 3.5Å; I328-I335 WeakPolarHBondContact O-CA 3.3Å; I328-I336 HydrophobicContact CG2-CD1 4.34Å; I328-I336 HydrophobicContact CG2-CG1 4.02Å; I328-I336 PolarHBondContact O-N 2.81Å; I328-G337 PolarHBondContact N-O 3.4Å; I328-G337 PolarHBondContact O-N 3.27Å; I328-A339 HydrophobicContact CD1-CB 4.28Å; I328-A339 HydrophobicContact CG1-CB 4.38Å; I328-L363 HydrophobicContact CD1-CD2 4.2Å; I328-L363 HydrophobicContact CG1-CB 4.4Å; I328-L363 HydrophobicContact CG1-CD1 4.14Å; I328-L363 HydrophobicContact CG1-CD2 4.07Å; I328-L363 HydrophobicContact CG1-CG 4.43Å; I328-C366 HydrophobicContact CD1-CB 4.43Å; I328-G367 VanDerWaalsContact CG2-CA 3.47Å; I328-I370 HydrophobicContact CD1-CD1 3.99Å; I328-I370 HydrophobicContact CG2-CD1 4.32Å
329R92Very high90.1Very high107 Ų10736 Ų3640%0.40419%0.191SC..EExtended strand (participates in β ladder)trans-106.2142.8179.9-62.9177.4-178.9-88.23.5110.7G294 G333 E334 I335 G367G294-R329 PolarHBondContact O-NH2 3.42Å; R329-G333 PolarHBondContact NH1-O 3.23Å; R329-G333 VanDerWaalsContact NH1-O 3.09Å; R329-E334 CarbonylContact C-O 3.59Å; R329-E334 VanDerWaalsContact CA-O 3.3Å; R329-E334 WeakPolarHBondContact CA-O 3.36Å; R329-I335 HydrophobicContact CG-CG1 4.38Å; R329-G367 WeakPolarHBondContact O-CA 3.23Å
330S89.5Confident90.4Very high22 Ų2231 Ų3115%0.15417%0.169CC..  trans-72.2173.7167.8-171.10000111.1D332 G333 E334 S371S330-D332 PolarHBondContact O-N 3.43Å; S330-D332 VanDerWaalsContact O-N 3.12Å; S330-G333 PolarHBondContact O-N 3.45Å; S330-G333 VanDerWaalsContact O-N 3.08Å; S330-E334 PolarHBondContact N-O 3.18Å; S330-S371 PolarHBondContact OG-OG 2.63Å
331S82.5Confident90.6Very high95 Ų9530.6 Ų30.666%0.66417%0.167SC*.THydrogen-bonded Turntrans-50-32.9169.550.40000112.9G333S331-G333 VanDerWaalsContact C-N 3.3Å; S331-G333 PolarHBondContact O-N 3.47Å
332D84.3Confident90.8Very high139 Ų13927.5 Ų27.574%0.74315%0.153SC*.THydrogen-bonded Turntrans-90.86.5-172.7-47.8-14.5000112.1S330 E334S330-D332 PolarHBondContact O-N 3.43Å; S330-D332 VanDerWaalsContact O-N 3.12Å; D332-E334 VanDerWaalsContact C-N 3.26Å; D332-E334 PolarHBondContact O-N 3.19Å
333G83.3Confident90.7Very high34 Ų3428.3 Ų28.335%0.35116%0.157SC..SBendtrans83.5-17.9178.600000115.9R329 S330 S331R329-G333 PolarHBondContact NH1-O 3.23Å; R329-G333 VanDerWaalsContact NH1-O 3.09Å; S330-G333 PolarHBondContact O-N 3.45Å; S330-G333 VanDerWaalsContact O-N 3.08Å; S331-G333 VanDerWaalsContact C-N 3.3Å; S331-G333 PolarHBondContact O-N 3.47Å
334E90.4Very high90.7Very high87 Ų8729.4 Ų29.441%0.40716%0.162SC..  trans-56.2138.8173.7-87-68.9102.300111.9R245 K251 R329 S330 D332 I336R245-E334 IonicContact NH2-OE2 3.54Å; R245-E334 PolarHBondContact NH2-OE2 2.94Å; K251-E334 IonicContact NZ-OE2 3.02Å; K251-E334 PolarHBondContact NZ-OE2 2.98Å; R329-E334 CarbonylContact C-O 3.59Å; R329-E334 VanDerWaalsContact CA-O 3.3Å; R329-E334 WeakPolarHBondContact CA-O 3.36Å; S330-E334 PolarHBondContact N-O 3.18Å; D332-E334 VanDerWaalsContact C-N 3.26Å; D332-E334 PolarHBondContact O-N 3.19Å; E334-I336 PolarHBondContact O-N 3.37Å
335I91.3Very high90.3Very high19 Ų1933.5 Ų33.510%0.09718%0.183CC..EExtended strand (participates in β ladder)trans-77.7118.9174.9-60166.8000108.9G291 G294 P327 I328 R329 G337G291-I335 WeakPolarHBondContact O-CD1 3.35Å; G294-I335 VanDerWaalsContact CA-CD1 3.47Å; P327-I335 HydrophobicContact CB-CD1 4.39Å; P327-I335 HydrophobicContact CB-CG1 4.31Å; P327-I335 HydrophobicContact CB-CG2 4.13Å; I328-I335 WeakPolarHBondContact O-CA 3.3Å; R329-I335 HydrophobicContact CG-CG1 4.38Å; I335-G337 WeakPolarHBondContact CG2-O 3.48Å
336I91.7Very high89.7Confident22 Ų2238.4 Ų38.411%0.11322%0.215CC..EExtended strand (participates in β ladder)trans-111.2-8.5-179.260172.6000113.1V243 I328 E334 G367 I370 S371V243-I336 PolarHBondContact N-O 3.12Å; I328-I336 HydrophobicContact CG2-CD1 4.34Å; I328-I336 HydrophobicContact CG2-CG1 4.02Å; I328-I336 PolarHBondContact O-N 2.81Å; E334-I336 PolarHBondContact O-N 3.37Å; I336-G367 WeakPolarHBondContact CD1-O 3.43Å; I336-I370 HydrophobicContact CD1-CB 4.22Å; I336-I370 HydrophobicContact CD1-CG2 3.99Å; I336-S371 WeakPolarHBondContact CD1-OG 3.31Å
337G91.5Very high88.6Confident0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-172.1-179.5169.600000113.3F241 I328 I335F241-G337 CarbonylContact O-C 3.55Å; F241-G337 WeakPolarHBondContact O-CA 3.47Å; I328-G337 PolarHBondContact N-O 3.4Å; I328-G337 PolarHBondContact O-N 3.27Å; I335-G337 WeakPolarHBondContact CG2-O 3.48Å
338V92.8Very high87.3Confident0 Ų048.3 Ų48.30%028%0.278CS..EExtended strand (participates in β ladder)trans-133.8127.2173.7-178.40000108.2F241 L253 I287 V290F241-V338 PolarHBondContact N-O 2.84Å; F241-V338 PolarHBondContact O-N 2.93Å; L253-V338 HydrophobicContact CD1-CG2 4.37Å; L253-V338 HydrophobicContact CD2-CG2 4.16Å; I287-V338 HydrophobicContact CG2-CB 3.96Å; I287-V338 HydrophobicContact CG2-CG1 3.89Å; I287-V338 HydrophobicContact CG2-CG2 4.4Å; V290-V338 HydrophobicContact CB-CG1 4.12Å; V290-V338 HydrophobicContact CG1-CG1 3.66Å; V290-V338 HydrophobicContact CG1-CG2 4.13Å
339A92.7Very high86.7Confident3 Ų350 Ų503%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-98.9132.5172.200000109.5L240 C325 M326 I328 M359 L363L240-A339 HydrophobicContact CD1-CB 4.46Å; C325-A339 WeakPolarHBondContact CA-O 3.34Å; M326-A339 PolarHBondContact N-O 2.78Å; M326-A339 PolarHBondContact O-N 3.33Å; I328-A339 HydrophobicContact CD1-CB 4.28Å; I328-A339 HydrophobicContact CG1-CB 4.38Å; A339-M359 HydrophobicContact CB-CE 3.5Å; A339-L363 HydrophobicContact CB-CD1 4.12Å; A339-L363 HydrophobicContact CB-CD2 3.92Å
340Q91.2Very high86.6Confident18 Ų1848.2 Ų48.28%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-121.8130179.6173.9179.140.800109.2C238 S239 L323 L324 I342C238-Q340 CarbonylContact C-O 3.58Å; C238-Q340 VanDerWaalsContact CA-O 3.23Å; C238-Q340 WeakPolarHBondContact CA-O 3.43Å; S239-Q340 PolarHBondContact N-O 3.44Å; S239-Q340 PolarHBondContact O-N 2.91Å; L323-Q340 HydrophobicContact CD2-CG 4.29Å; L324-Q340 CarbonylContact O-C 3.59Å; L324-Q340 WeakPolarHBondContact O-CA 3.33Å; Q340-I342 HydrophobicContact CG-CD1 4.28Å; Q340-I342 HydrophobicContact CG-CG1 3.87Å
341A91.5Very high86.7Confident0 Ų047.5 Ų47.50%029%0.288CS..EExtended strand (participates in β ladder)trans-112.7139.6168.100000109.2V229 V233 A235 L323 L324 F351V229-A341 HydrophobicContact CG1-CB 4.37Å; V233-A341 HydrophobicContact CG2-CB 3.77Å; A235-A341 HydrophobicContact CB-CB 3.89Å; L323-A341 WeakPolarHBondContact CA-O 3.35Å; L324-A341 HydrophobicContact CB-CB 4.4Å; L324-A341 PolarHBondContact N-O 3.08Å; L324-A341 PolarHBondContact O-N 2.89Å; A341-F351 HydrophobicContact CB-CE1 4.24Å; A341-F351 HydrophobicContact CB-CZ 4.01Å
342I89.3Confident87.2Confident6 Ų646.1 Ų46.13%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-128.9133.2-171.1-47-177.6000109.2D236 R237 Y318 T320 L323 Q340D236-I342 PolarHBondContact N-O 3.29Å; R237-I342 HydrophobicContact CB-CB 4.27Å; R237-I342 PolarHBondContact N-O 2.92Å; R237-I342 PolarHBondContact O-N 3.14Å; Y318-I342 HydrophobicContact CE1-CG2 3.91Å; T320-I342 HydrophobicContact CG2-CG2 4.02Å; L323-I342 HydrophobicContact CD2-CB 4.16Å; L323-I342 HydrophobicContact CD2-CD1 4.4Å; L323-I342 HydrophobicContact CD2-CG1 3.73Å; L323-I342 HydrophobicContact CD2-CG2 3.98Å; Q340-I342 HydrophobicContact CG-CD1 4.28Å; Q340-I342 HydrophobicContact CG-CG1 3.87Å
343N89.5Confident87.5Confident21 Ų2146.1 Ų46.111%0.11227%0.272CS..EExtended strand (participates in β ladder)trans54.296.2176.4-70.8-21.8000114.2D236 Y318 K319 K321 S322D236-N343 HydrophobicContact CB-CB 4.03Å; D236-N343 PolarHBondContact N-O 3.48Å; Y318-N343 VanDerWaalsContact CZ-ND2 3.32Å; Y318-N343 PolarHBondContact OH-ND2 3.35Å; K319-N343 PolarHBondContact O-ND2 2.81Å; K321-N343 WeakPolarHBondContact CA-OD1 3.41Å; K321-N343 VanDerWaalsContact CB-OD1 3.25Å; K321-N343 WeakPolarHBondContact CB-OD1 3.14Å; K321-N343 PolarHBondContact N-OD1 2.94Å; S322-N343 PolarHBondContact N-OD1 3.43Å; S322-N343 VanDerWaalsContact N-OD1 3.15Å; S322-N343 PolarHBondContact O-N 3.11Å
344K90.4Very high87.8Confident24 Ų2449.1 Ų49.110%0.10428%0.28CS..EExtended strand (participates in β ladder)trans-60.3140.2172.3-176.373.7-175.7-171.40111.6V233 D234 S322 P346 A349 F351 D355V233-K344 WeakPolarHBondContact O-CD 3.35Å; V233-K344 WeakPolarHBondContact O-CE 3.35Å; V233-K344 PolarHBondContact O-NZ 3.09Å; D234-K344 IonicContact OD2-NZ 3.03Å; S322-K344 PolarHBondContact OG-N 3.25Å; K344-P346 CarbonylContact O-C 3.37Å; K344-A349 HydrophobicContact CB-CB 4.26Å; K344-A349 WeakPolarHBondContact CB-O 3.5Å; K344-A349 HydrophobicContact CG-CB 3.83Å; K344-F351 HydrophobicContact CB-CD1 4.1Å; K344-F351 HydrophobicContact CB-CE1 3.94Å; K344-F351 HydrophobicContact CB-CE2 4.41Å; K344-F351 HydrophobicContact CB-CG 4.39Å; K344-F351 HydrophobicContact CB-CZ 4.11Å; K344-F351 HydrophobicContact CD-CD1 3.68Å; K344-F351 HydrophobicContact CD-CE1 3.81Å; K344-F351 HydrophobicContact CG-CD1 4.39Å; K344-F351 HydrophobicContact CG-CE1 4.49Å; K344-D355 IonicContact NZ-OD1 2.86Å; K344-D355 PolarHBondContact NZ-OD1 2.82Å; K344-D355 IonicContact NZ-OD2 2.83Å; K344-D355 PolarHBondContact NZ-OD2 2.97Å
345I85.8Confident87.8Confident86 Ų8645.6 Ų45.644%0.44126%0.264SS..THydrogen-bonded Turntrans-101.7137173.6-59.7175.9000108.8D234 D236D234-I345 WeakPolarHBondContact O-CB 3.31Å; D234-I345 PolarHBondContact O-N 3.46Å; D236-I345 HydrophobicContact CB-CD1 4.31Å; D236-I345 HydrophobicContact CB-CG1 4.38Å
346P79.7Confident87.8Confident104 Ų10447.3 Ų47.368%0.67527%0.271SS*.THydrogen-bonded Turncis-69.6153.7-1.630.4-35.8000113.2K344 G348 A349K344-P346 CarbonylContact O-C 3.37Å; P346-G348 PolarHBondContact O-N 2.91Å; P346-A349 PolarHBondContact O-N 2.93Å
347E72.9Confident87.8Confident161 Ų16150.5 Ų50.575%0.75228%0.284SS*.THydrogen-bonded Turntrans-56.2125.2-167.7-167.2-173.9174.100113.2K321K321-E347 IonicContact NZ-OE1 2.57Å; K321-E347 PolarHBondContact NZ-OE1 3.06Å
348G67.9Low87.8Confident67 Ų6752.8 Ų52.869%0.69130%0.298SS*.THydrogen-bonded Turntrans102.5-3.1178.700000115P346P346-G348 PolarHBondContact O-N 2.91Å
349A81.3Confident87.7Confident34 Ų3453 Ų5328%0.28130%0.299SS..BIsolated β-bridgetrans-74.7148.3168.300000112.2S322 K344 P346S322-A349 PolarHBondContact OG-O 2.88Å; K344-A349 HydrophobicContact CB-CB 4.26Å; K344-A349 WeakPolarHBondContact CB-O 3.5Å; K344-A349 HydrophobicContact CG-CB 3.83Å; P346-A349 PolarHBondContact O-N 2.93Å
350P88.5Confident87.6Confident70 Ų7058.6 Ų58.646%0.45533%0.325SS..PPolyproline II helixtrans-81.4160.5161.634.5-33.6000111P300P300-P350 HydrophobicContact CB-CB 3.92Å
351F92.4Very high87.6Confident7 Ų763 Ų633%0.03135%0.347CS..PPolyproline II helixtrans-71.2140.7167.9-66.1-79.8000110.4V233 A235 N298 L324 A341 K344 D355V233-F351 HydrophobicContact CB-CD1 4.4Å; V233-F351 HydrophobicContact CB-CE1 4.31Å; V233-F351 HydrophobicContact CG2-CD1 4.45Å; V233-F351 HydrophobicContact CG2-CE1 3.95Å; A235-F351 HydrophobicContact CB-CE1 4.07Å; A235-F351 HydrophobicContact CB-CZ 4.01Å; N298-F351 PolarHBondContact ND2-O 2.96Å; L324-F351 HydrophobicContact CB-CB 4.17Å; L324-F351 HydrophobicContact CB-CD1 4.22Å; L324-F351 HydrophobicContact CB-CD2 3.67Å; L324-F351 HydrophobicContact CB-CE2 4.07Å; L324-F351 HydrophobicContact CB-CG 3.76Å; L324-F351 HydrophobicContact CD2-CB 4.3Å; L324-F351 HydrophobicContact CD2-CD1 4.23Å; L324-F351 HydrophobicContact CD2-CG 4.28Å; A341-F351 HydrophobicContact CB-CE1 4.24Å; A341-F351 HydrophobicContact CB-CZ 4.01Å; K344-F351 HydrophobicContact CB-CD1 4.1Å; K344-F351 HydrophobicContact CB-CE1 3.94Å; K344-F351 HydrophobicContact CB-CE2 4.41Å; K344-F351 HydrophobicContact CB-CG 4.39Å; K344-F351 HydrophobicContact CB-CZ 4.11Å; K344-F351 HydrophobicContact CD-CD1 3.68Å; K344-F351 HydrophobicContact CD-CE1 3.81Å; K344-F351 HydrophobicContact CG-CD1 4.39Å; K344-F351 HydrophobicContact CG-CE1 4.49Å; F351-D355 HydrophobicContact CB-CB 4.4Å; F351-D355 HydrophobicContact CD1-CB 4.39Å
352T92.6Very high87.6Confident67 Ų6763 Ų6341%0.41135%0.347SS..PPolyproline II helixtrans-94.7165-174.864.10000112.7D354 D355 E356T352-D354 PolarHBondContact O-N 2.87Å; T352-D354 PolarHBondContact OG1-N 2.87Å; T352-D355 PolarHBondContact N-OD2 2.78Å; T352-D355 WeakPolarHBondContact O-CB 3.47Å; T352-D355 PolarHBondContact O-N 2.86Å; T352-D355 VanDerWaalsContact O-N 3.1Å; T352-D355 PolarHBondContact OG1-N 2.98Å; T352-D355 VanDerWaalsContact OG1-N 3.17Å; T352-D355 PolarHBondContact OG1-OD2 2.7Å; T352-E356 PolarHBondContact O-N 3.16Å; T352-E356 VanDerWaalsContact O-N 3.14Å
353E90.8Very high87.7Confident138 Ų13863 Ų6365%0.64535%0.347SS*.Hα-helixtrans-58.6-25.7169.7-66.7-174.5-175.700112.9K357E353-K357 WeakPolarHBondContact O-CD 3.4Å; E353-K357 WeakPolarHBondContact O-CE 3.39Å; E353-K357 VanDerWaalsContact O-CG 3.25Å; E353-K357 WeakPolarHBondContact O-CG 3.17Å; E353-K357 PolarHBondContact O-N 3.47Å; E353-K357 IonicContact OE2-NZ 3.58Å
354D89.2Confident87.8Confident98 Ų9865.2 Ų65.252%0.52436%0.363SS..Hα-helixtrans-78.7-31.8177.5-65.3-26000111.4T352 E356 K357 V358T352-D354 PolarHBondContact O-N 2.87Å; T352-D354 PolarHBondContact OG1-N 2.87Å; D354-E356 VanDerWaalsContact C-N 3.31Å; D354-K357 PolarHBondContact O-N 3.26Å; D354-K357 WeakPolarHBondContact OD1-CD 3.34Å; D354-K357 IonicContact OD1-NZ 2.71Å; D354-K357 PolarHBondContact OD1-NZ 3.22Å; D354-V358 WeakPolarHBondContact O-CB 3.5Å; D354-V358 VanDerWaalsContact O-CG2 3.22Å; D354-V358 WeakPolarHBondContact O-CG2 3.23Å; D354-V358 PolarHBondContact O-N 3.26Å
355D90.6Very high87.9Confident12 Ų1268 Ų686%0.06437%0.374CS..Hα-helixtrans-60.9-42.2167.3-65.9-56.4000111V233 L324 K344 F351 T352 V358 M359V233-D355 HydrophobicContact CB-CB 4.14Å; V233-D355 HydrophobicContact CG1-CB 3.96Å; L324-D355 HydrophobicContact CD2-CB 4.18Å; K344-D355 IonicContact NZ-OD1 2.86Å; K344-D355 PolarHBondContact NZ-OD1 2.82Å; K344-D355 IonicContact NZ-OD2 2.83Å; K344-D355 PolarHBondContact NZ-OD2 2.97Å; F351-D355 HydrophobicContact CB-CB 4.4Å; F351-D355 HydrophobicContact CD1-CB 4.39Å; T352-D355 PolarHBondContact N-OD2 2.78Å; T352-D355 WeakPolarHBondContact O-CB 3.47Å; T352-D355 PolarHBondContact O-N 2.86Å; T352-D355 VanDerWaalsContact O-N 3.1Å; T352-D355 PolarHBondContact OG1-N 2.98Å; T352-D355 VanDerWaalsContact OG1-N 3.17Å; T352-D355 PolarHBondContact OG1-OD2 2.7Å; D355-V358 PolarHBondContact O-N 3.37Å; D355-M359 WeakPolarHBondContact O-CB 3.26Å; D355-M359 PolarHBondContact O-N 3.2Å
356E92.6Very high88.2Confident55 Ų5563.9 Ų63.926%0.25735%0.353SS..Hα-helixtrans-60.5-50.9173.6-70.8-178.9-143.800111.7T296 N298 L324 M326 T352 D354 V358 M359 Q360T296-E356 HydrophobicContact CG2-CG 4.39Å; N298-E356 WeakPolarHBondContact CB-OE1 3.22Å; N298-E356 PolarHBondContact ND2-OE1 3.26Å; L324-E356 HydrophobicContact CD1-CG 3.77Å; M326-E356 HydrophobicContact CE-CB 4.47Å; M326-E356 WeakPolarHBondContact CE-O 3.28Å; T352-E356 PolarHBondContact O-N 3.16Å; T352-E356 VanDerWaalsContact O-N 3.14Å; D354-E356 VanDerWaalsContact C-N 3.31Å; E356-V358 VanDerWaalsContact C-N 3.33Å; E356-V358 PolarHBondContact O-N 2.84Å; E356-M359 PolarHBondContact O-N 2.83Å; E356-Q360 WeakPolarHBondContact O-CB 3.42Å; E356-Q360 PolarHBondContact O-N 2.9Å
357K91.5Very high88.7Confident90 Ų9058.9 Ų58.939%0.39132%0.321SS..Hα-helixtrans-58.9-43.2178.1-68.7159.8-151.91560111.8E353 D354 Q360 M361E353-K357 WeakPolarHBondContact O-CD 3.4Å; E353-K357 WeakPolarHBondContact O-CE 3.39Å; E353-K357 VanDerWaalsContact O-CG 3.25Å; E353-K357 WeakPolarHBondContact O-CG 3.17Å; E353-K357 PolarHBondContact O-N 3.47Å; E353-K357 IonicContact OE2-NZ 3.58Å; D354-K357 PolarHBondContact O-N 3.26Å; D354-K357 WeakPolarHBondContact OD1-CD 3.34Å; D354-K357 IonicContact OD1-NZ 2.71Å; D354-K357 PolarHBondContact OD1-NZ 3.22Å; K357-Q360 PolarHBondContact O-N 3.1Å; K357-M361 WeakPolarHBondContact O-CG 3.24Å; K357-M361 PolarHBondContact O-N 3.02Å
358V90.1Very high89.6Confident48 Ų4855.3 Ų55.329%0.29131%0.306SS..Hα-helixtrans-65.5-42.8179.9167.60000111.4M232 D354 D355 E356 M361 Y362M232-V358 HydrophobicContact CB-CG1 4.01Å; M232-V358 HydrophobicContact CE-CG1 3.4Å; D354-V358 WeakPolarHBondContact O-CB 3.5Å; D354-V358 VanDerWaalsContact O-CG2 3.22Å; D354-V358 WeakPolarHBondContact O-CG2 3.23Å; D354-V358 PolarHBondContact O-N 3.26Å; D355-V358 PolarHBondContact O-N 3.37Å; E356-V358 VanDerWaalsContact C-N 3.33Å; E356-V358 PolarHBondContact O-N 2.84Å; V358-M361 HydrophobicContact CG2-CE 4.21Å; V358-Y362 PolarHBondContact O-N 2.89Å
359M91.1Very high90.7Very high3 Ų352.4 Ų52.42%0.01528%0.276CS..Hα-helixtrans-66-42.6174.2-167.1167.6-173.800111.4V229 V233 L324 M326 A339 D355 E356 M361 Y362 L363V229-M359 HydrophobicContact CG1-CE 3.94Å; V229-M359 HydrophobicContact CG1-SD 4.5Å; V233-M359 HydrophobicContact CG1-CB 4.33Å; L324-M359 HydrophobicContact CD2-SD 3.73Å; L324-M359 HydrophobicContact CG-SD 3.83Å; M326-M359 HydrophobicContact CB-CE 4.14Å; M326-M359 HydrophobicContact CB-CG 4.47Å; M326-M359 HydrophobicContact CB-SD 4.18Å; M326-M359 HydrophobicContact CE-CB 4.14Å; M326-M359 HydrophobicContact CE-CG 4.35Å; M326-M359 HydrophobicContact SD-CB 4.22Å; M326-M359 HydrophobicContact SD-CG 4.01Å; A339-M359 HydrophobicContact CB-CE 3.5Å; D355-M359 WeakPolarHBondContact O-CB 3.26Å; D355-M359 PolarHBondContact O-N 3.2Å; E356-M359 PolarHBondContact O-N 2.83Å; M359-M361 VanDerWaalsContact C-N 3.32Å; M359-M361 PolarHBondContact O-N 3.25Å; M359-Y362 PolarHBondContact O-N 2.82Å; M359-L363 HydrophobicContact CE-CD1 4.1Å; M359-L363 HydrophobicContact CG-CD1 3.96Å; M359-L363 HydrophobicContact CG-CD2 4.5Å; M359-L363 HydrophobicContact CG-CG 4.01Å; M359-L363 WeakPolarHBondContact O-CG 3.4Å; M359-L363 PolarHBondContact O-N 2.81Å
360Q91.7Very high91.1Very high122 Ų12250.8 Ų50.857%0.5726%0.262SS*.Hα-helixtrans-63.1-34.5178.6-169.6179.32800112.9M326 E356 K357 Y362 P364M326-Q360 HydrophobicContact CE-CB 4.01Å; M326-Q360 VanDerWaalsContact SD-CA 3.55Å; M326-Q360 HydrophobicContact SD-CB 3.9Å; M326-Q360 HydrophobicContact SD-CG 4.45Å; E356-Q360 WeakPolarHBondContact O-CB 3.42Å; E356-Q360 PolarHBondContact O-N 2.9Å; K357-Q360 PolarHBondContact O-N 3.1Å; Q360-Y362 VanDerWaalsContact C-N 3.34Å; Q360-P364 WeakPolarHBondContact O-CD 3.47Å; Q360-P364 WeakPolarHBondContact O-CG 3.31Å
361M89.8Confident91.2Very high110 Ų11048.2 Ų48.254%0.54225%0.246SC..Hα-helixtrans-70.4-28.6172.6-73.6-173.3-66.300112.9F205 K357 V358 M359 F365F205-M361 HydrophobicContact CE2-CB 4.23Å; F205-M361 HydrophobicContact CZ-CB 4.34Å; K357-M361 WeakPolarHBondContact O-CG 3.24Å; K357-M361 PolarHBondContact O-N 3.02Å; V358-M361 HydrophobicContact CG2-CE 4.21Å; M359-M361 VanDerWaalsContact C-N 3.32Å; M359-M361 PolarHBondContact O-N 3.25Å; M361-F365 VanDerWaalsContact O-CD2 3.31Å; M361-F365 WeakPolarHBondContact O-CD2 3.17Å; M361-F365 WeakPolarHBondContact O-CE2 3.45Å
362Y91.4Very high91.1Very high1 Ų151.9 Ų51.90%0.00427%0.266CS..Hα-helixtrans-91.7-41.6-171.8-176.7-119.3000114.3F205 L208 V209 I212 F228 V229 M232 V358 M359 Q360 P364 F365 C366F205-Y362 HydrophobicContact CE2-CD2 4.12Å; F205-Y362 HydrophobicContact CZ-CD2 4.48Å; L208-Y362 HydrophobicContact CB-CE2 4.14Å; V209-Y362 HydrophobicContact CG2-CD2 4.29Å; V209-Y362 HydrophobicContact CG2-CE2 4.28Å; I212-Y362 HydrophobicContact CD1-CE2 4.01Å; I212-Y362 WeakPolarHBondContact CG2-OH 3.43Å; F228-Y362 HydrophobicContact CB-CE1 4.16Å; F228-Y362 WeakPolarHBondContact CD2-OH 3.15Å; V229-Y362 HydrophobicContact CG2-CD1 4.12Å; V229-Y362 HydrophobicContact CG2-CE1 4.06Å; M232-Y362 HydrophobicContact CE-CD1 4.38Å; M232-Y362 HydrophobicContact CE-CD2 4.2Å; M232-Y362 HydrophobicContact CE-CG 3.8Å; M232-Y362 HydrophobicContact SD-CD1 3.69Å; M232-Y362 HydrophobicContact SD-CD2 3.88Å; M232-Y362 HydrophobicContact SD-CE1 4.13Å; M232-Y362 HydrophobicContact SD-CE2 4.32Å; M232-Y362 HydrophobicContact SD-CG 3.58Å; M232-Y362 VanDerWaalsContact SD-CG 3.58Å; V358-Y362 PolarHBondContact O-N 2.89Å; M359-Y362 PolarHBondContact O-N 2.82Å; Q360-Y362 VanDerWaalsContact C-N 3.34Å; Y362-P364 VanDerWaalsContact C-N 3.35Å; Y362-F365 PolarHBondContact O-N 3.3Å; Y362-F365 VanDerWaalsContact O-N 3.08Å; Y362-C366 WeakPolarHBondContact CE1-SG 3.25Å; Y362-C366 PolarHBondContact O-N 2.77Å
363L92.2Very high90.9Very high4 Ų448.7 Ų48.72%0.02125%0.246CC..Hα-helixtrans-60-29.3-176.4-65.5-172.3000115.5V229 M326 I328 A339 M359 F365 C366 G367V229-L363 HydrophobicContact CG2-CD2 4.29Å; M326-L363 HydrophobicContact CB-CD1 3.72Å; M326-L363 HydrophobicContact CG-CD1 3.72Å; M326-L363 HydrophobicContact SD-CD1 3.82Å; I328-L363 HydrophobicContact CD1-CD2 4.2Å; I328-L363 HydrophobicContact CG1-CB 4.4Å; I328-L363 HydrophobicContact CG1-CD1 4.14Å; I328-L363 HydrophobicContact CG1-CD2 4.07Å; I328-L363 HydrophobicContact CG1-CG 4.43Å; A339-L363 HydrophobicContact CB-CD1 4.12Å; A339-L363 HydrophobicContact CB-CD2 3.92Å; M359-L363 HydrophobicContact CE-CD1 4.1Å; M359-L363 HydrophobicContact CG-CD1 3.96Å; M359-L363 HydrophobicContact CG-CD2 4.5Å; M359-L363 HydrophobicContact CG-CG 4.01Å; M359-L363 WeakPolarHBondContact O-CG 3.4Å; M359-L363 PolarHBondContact O-N 2.81Å; L363-F365 VanDerWaalsContact C-N 3.32Å; L363-F365 PolarHBondContact O-N 2.91Å; L363-C366 HydrophobicContact CD2-CB 4.5Å; L363-C366 WeakPolarHBondContact O-CB 3.28Å; L363-C366 PolarHBondContact O-N 2.91Å; L363-G367 PolarHBondContact O-N 3.5Å
364P91.4Very high90.7Very high69 Ų6945.3 Ų45.345%0.44823%0.23SC..Hα-helixtrans-59.7-39171.7-27.236.5000113.4Q360 Y362 G367 I368Q360-P364 WeakPolarHBondContact O-CD 3.47Å; Q360-P364 WeakPolarHBondContact O-CG 3.31Å; Y362-P364 VanDerWaalsContact C-N 3.35Å; P364-G367 PolarHBondContact O-N 3.38Å; P364-I368 WeakPolarHBondContact O-CG1 3.47Å; P364-I368 PolarHBondContact O-N 3.04Å; P364-I368 VanDerWaalsContact O-N 3.09Å
365F91.6Very high90.6Very high81 Ų8146.2 Ų46.236%0.35524%0.235SC..Hα-helixtrans-69-37.2175.3-62.3-80.3000111.6F205 V209 I212 M361 Y362 L363 G367 I368 A369F205-F365 HydrophobicContact CE1-CD2 4.26Å; F205-F365 AromaticContact CE1-CE2 3.82Å; F205-F365 HydrophobicContact CE1-CE2 3.82Å; F205-F365 HydrophobicContact CE1-CZ 4.42Å; F205-F365 AromaticContact CZ-CD2 3.91Å; F205-F365 HydrophobicContact CZ-CD2 3.91Å; F205-F365 AromaticContact CZ-CE2 3.71Å; F205-F365 HydrophobicContact CZ-CE2 3.71Å; V209-F365 HydrophobicContact CG1-CB 4.17Å; V209-F365 HydrophobicContact CG1-CD1 3.61Å; V209-F365 HydrophobicContact CG1-CE1 4.17Å; V209-F365 HydrophobicContact CG1-CG 3.92Å; V209-F365 HydrophobicContact CG2-CB 4.11Å; V209-F365 HydrophobicContact CG2-CD1 4.3Å; V209-F365 HydrophobicContact CG2-CD2 3.95Å; V209-F365 HydrophobicContact CG2-CE2 4.48Å; V209-F365 HydrophobicContact CG2-CG 3.86Å; I212-F365 HydrophobicContact CD1-CB 4.05Å; M361-F365 VanDerWaalsContact O-CD2 3.31Å; M361-F365 WeakPolarHBondContact O-CD2 3.17Å; M361-F365 WeakPolarHBondContact O-CE2 3.45Å; Y362-F365 PolarHBondContact O-N 3.3Å; Y362-F365 VanDerWaalsContact O-N 3.08Å; L363-F365 VanDerWaalsContact C-N 3.32Å; L363-F365 PolarHBondContact O-N 2.91Å; F365-G367 VanDerWaalsContact C-N 3.29Å; F365-G367 PolarHBondContact O-N 3.46Å; F365-I368 PolarHBondContact O-N 3.45Å; F365-A369 WeakPolarHBondContact O-CB 3.38Å; F365-A369 PolarHBondContact O-N 2.9Å
366C92.4Very high90.4Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-60.3-40.8170.9-58.70000111.3I225 I328 Y362 L363 A369 I370I225-C366 HydrophobicContact CD1-CB 3.93Å; I225-C366 HydrophobicContact CG1-CB 4.25Å; I225-C366 HydrophobicContact CG2-CB 4.29Å; I328-C366 HydrophobicContact CD1-CB 4.43Å; Y362-C366 WeakPolarHBondContact CE1-SG 3.25Å; Y362-C366 PolarHBondContact O-N 2.77Å; L363-C366 HydrophobicContact CD2-CB 4.5Å; L363-C366 WeakPolarHBondContact O-CB 3.28Å; L363-C366 PolarHBondContact O-N 2.91Å; C366-A369 PolarHBondContact O-N 3.49Å; C366-I370 WeakPolarHBondContact O-CB 3.4Å; C366-I370 WeakPolarHBondContact O-CD1 3.42Å; C366-I370 VanDerWaalsContact O-CG1 3.26Å; C366-I370 WeakPolarHBondContact O-CG1 3.35Å; C366-I370 PolarHBondContact O-N 2.97Å
367G91.3Very high90Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-64.2-42.1179.300000113.3I328 R329 I336 L363 P364 F365 S371I328-G367 VanDerWaalsContact CG2-CA 3.47Å; R329-G367 WeakPolarHBondContact O-CA 3.23Å; I336-G367 WeakPolarHBondContact CD1-O 3.43Å; L363-G367 PolarHBondContact O-N 3.5Å; P364-G367 PolarHBondContact O-N 3.38Å; F365-G367 VanDerWaalsContact C-N 3.29Å; F365-G367 PolarHBondContact O-N 3.46Å; G367-S371 WeakPolarHBondContact O-CB 3.47Å; G367-S371 PolarHBondContact O-N 2.64Å; G367-S371 PolarHBondContact O-OG 2.75Å
368I90.5Very high89.5Confident86 Ų8648.5 Ų48.544%0.44127%0.265SS..Hα-helixtrans-62.5-48.3172.7-64.6165.1000110.6P364 F365 S371 N372P364-I368 WeakPolarHBondContact O-CG1 3.47Å; P364-I368 PolarHBondContact O-N 3.04Å; P364-I368 VanDerWaalsContact O-N 3.09Å; F365-I368 PolarHBondContact O-N 3.45Å; I368-S371 PolarHBondContact O-N 2.69Å; I368-N372 WeakPolarHBondContact O-CB 3.5Å; I368-N372 VanDerWaalsContact O-CG 3.28Å; I368-N372 PolarHBondContact O-N 3.01Å; I368-N372 PolarHBondContact O-ND2 3.12Å
369A91Very high89.2Confident5 Ų550 Ų504%0.04128%0.278CS..Hα-helixtrans-62.3-46-179.300000112.4I212 L221 F365 C366 S371 N372 A373I212-A369 HydrophobicContact CB-CB 4.39Å; I212-A369 HydrophobicContact CD1-CB 4.42Å; L221-A369 HydrophobicContact CD1-CB 3.96Å; L221-A369 VanDerWaalsContact CD2-C 3.5Å; L221-A369 HydrophobicContact CD2-CB 3.94Å; L221-A369 WeakPolarHBondContact CD2-O 3.36Å; F365-A369 WeakPolarHBondContact O-CB 3.38Å; F365-A369 PolarHBondContact O-N 2.9Å; C366-A369 PolarHBondContact O-N 3.49Å; A369-S371 PolarHBondContact O-N 3.32Å; A369-N372 PolarHBondContact O-N 2.82Å; A369-A373 PolarHBondContact O-N 2.9Å
370I91Very high88.8Confident0 Ų056.2 Ų56.20%030%0.301CS..Hα-helixtrans-61.4-44.9177.8-72.1163000110.5L218 L221 I225 L242 I328 I336 C366 N372 A373 Q374L218-I370 HydrophobicContact CD1-CG2 4.06Å; L221-I370 HydrophobicContact CD2-CG1 4.13Å; I225-I370 HydrophobicContact CD1-CD1 3.72Å; I225-I370 HydrophobicContact CD1-CG1 3.78Å; L242-I370 HydrophobicContact CD2-CD1 3.97Å; L242-I370 HydrophobicContact CD2-CG2 4.2Å; I328-I370 HydrophobicContact CD1-CD1 3.99Å; I328-I370 HydrophobicContact CG2-CD1 4.32Å; I336-I370 HydrophobicContact CD1-CB 4.22Å; I336-I370 HydrophobicContact CD1-CG2 3.99Å; C366-I370 WeakPolarHBondContact O-CB 3.4Å; C366-I370 WeakPolarHBondContact O-CD1 3.42Å; C366-I370 VanDerWaalsContact O-CG1 3.26Å; C366-I370 WeakPolarHBondContact O-CG1 3.35Å; C366-I370 PolarHBondContact O-N 2.97Å; I370-N372 VanDerWaalsContact C-N 3.34Å; I370-N372 PolarHBondContact O-N 3.13Å; I370-A373 PolarHBondContact O-N 3.02Å; I370-Q374 HydrophobicContact CG2-CG 4.41Å; I370-Q374 WeakPolarHBondContact O-CB 3.25Å; I370-Q374 WeakPolarHBondContact O-CG 3.06Å; I370-Q374 PolarHBondContact O-N 2.82Å
371S89.9Confident88.1Confident16 Ų1657.8 Ų57.811%0.11231%0.306CS..Hα-helixtrans-60.7-43.8177.9-56.70000111.4S330 I336 G367 I368 A369 Q374 L375S330-S371 PolarHBondContact OG-OG 2.63Å; I336-S371 WeakPolarHBondContact CD1-OG 3.31Å; G367-S371 WeakPolarHBondContact O-CB 3.47Å; G367-S371 PolarHBondContact O-N 2.64Å; G367-S371 PolarHBondContact O-OG 2.75Å; I368-S371 PolarHBondContact O-N 2.69Å; A369-S371 PolarHBondContact O-N 3.32Å; S371-Q374 PolarHBondContact O-N 3.27Å; S371-L375 WeakPolarHBondContact O-CB 3.39Å; S371-L375 VanDerWaalsContact O-CG 3.27Å; S371-L375 WeakPolarHBondContact O-CG 3.21Å; S371-L375 PolarHBondContact O-N 2.66Å
372N89.4Confident87.5Confident84 Ų8457.2 Ų57.245%0.44930%0.302SS..Hα-helixtrans-63.9-43176.6-72.1-17.2000112.5I368 A369 I370 L375 F376I368-N372 WeakPolarHBondContact O-CB 3.5Å; I368-N372 VanDerWaalsContact O-CG 3.28Å; I368-N372 PolarHBondContact O-N 3.01Å; I368-N372 PolarHBondContact O-ND2 3.12Å; A369-N372 PolarHBondContact O-N 2.82Å; I370-N372 VanDerWaalsContact C-N 3.34Å; I370-N372 PolarHBondContact O-N 3.13Å; N372-L375 PolarHBondContact O-N 2.86Å; N372-F376 VanDerWaalsContact O-CB 3.31Å; N372-F376 WeakPolarHBondContact O-CB 3.24Å; N372-F376 PolarHBondContact O-N 3.21Å
373A89.1Confident87Confident0 Ų064.2 Ų64.20%033%0.329CS..Hα-helixtrans-64.2-41.6176.700000112L218 L221 A369 I370 F376 A377L218-A373 HydrophobicContact CB-CB 4.46Å; L218-A373 HydrophobicContact CD1-CB 4.33Å; L221-A373 HydrophobicContact CD2-CB 3.78Å; A369-A373 PolarHBondContact O-N 2.9Å; I370-A373 PolarHBondContact O-N 3.02Å; A373-F376 PolarHBondContact O-N 3.27Å; A373-A377 WeakPolarHBondContact O-CB 3.2Å; A373-A377 PolarHBondContact O-N 2.87Å
374Q87.3Confident86.4Confident67 Ų6768 Ų6831%0.31335%0.347SS..Hα-helixtrans-63.4-46.2174.8-73.5177.5-11.700112.1L218 I370 S371 F376 A377 A378L218-Q374 HydrophobicContact CD1-CG 4.21Å; L218-Q374 HydrophobicContact CD2-CG 4.11Å; I370-Q374 HydrophobicContact CG2-CG 4.41Å; I370-Q374 WeakPolarHBondContact O-CB 3.25Å; I370-Q374 WeakPolarHBondContact O-CG 3.06Å; I370-Q374 PolarHBondContact O-N 2.82Å; S371-Q374 PolarHBondContact O-N 3.27Å; Q374-F376 PolarHBondContact O-N 3.48Å; Q374-A377 PolarHBondContact O-N 3.23Å; Q374-A378 PolarHBondContact O-N 3.2Å
375L86.7Confident85.6Confident118 Ų11868.2 Ų68.262%0.61834%0.338SS*.Hα-helixtrans-62-41.1175.8-73.8170000112S371 N372 A378 S379S371-L375 WeakPolarHBondContact O-CB 3.39Å; S371-L375 VanDerWaalsContact O-CG 3.27Å; S371-L375 WeakPolarHBondContact O-CG 3.21Å; S371-L375 PolarHBondContact O-N 2.66Å; N372-L375 PolarHBondContact O-N 2.86Å; L375-A378 PolarHBondContact O-N 2.93Å; L375-S379 VanDerWaalsContact O-CB 3.26Å; L375-S379 WeakPolarHBondContact O-CB 3.48Å; L375-S379 PolarHBondContact O-N 2.86Å
376F87.2Confident84.9Confident91 Ų9167.1 Ų67.140%0.39934%0.341SS..Hα-helixtrans-64.9-43.3176.8-177.6-107.2000112L216 N372 A373 Q374 S379 R380L216-F376 HydrophobicContact CB-CD1 3.79Å; L216-F376 HydrophobicContact CB-CE1 4.15Å; L216-F376 HydrophobicContact CB-CG 4.29Å; L216-F376 HydrophobicContact CD1-CD1 4.25Å; L216-F376 HydrophobicContact CD1-CD2 4.22Å; L216-F376 HydrophobicContact CD1-CE1 4.3Å; L216-F376 HydrophobicContact CD1-CE2 4.29Å; L216-F376 HydrophobicContact CD1-CG 4.2Å; L216-F376 HydrophobicContact CD1-CZ 4.32Å; N372-F376 VanDerWaalsContact O-CB 3.31Å; N372-F376 WeakPolarHBondContact O-CB 3.24Å; N372-F376 PolarHBondContact O-N 3.21Å; A373-F376 PolarHBondContact O-N 3.27Å; Q374-F376 PolarHBondContact O-N 3.48Å; F376-S379 PolarHBondContact O-N 2.85Å; F376-R380 HydrophobicContact CD1-CG 4.47Å; F376-R380 VanDerWaalsContact CE1-CD 3.49Å; F376-R380 HydrophobicContact CE1-CG 4.11Å; F376-R380 HydrophobicContact CE2-CG 4.32Å; F376-R380 HydrophobicContact CZ-CG 4.02Å; F376-R380 WeakPolarHBondContact O-CB 3.37Å; F376-R380 WeakPolarHBondContact O-CG 3.28Å; F376-R380 PolarHBondContact O-N 2.81Å
377A82.8Confident84.4Confident56 Ų5672.8 Ų72.846%0.46336%0.362SS..Hα-helixtrans-62.3-43.7175.800000112.3A373 Q374 R380 K381A373-A377 WeakPolarHBondContact O-CB 3.2Å; A373-A377 PolarHBondContact O-N 2.87Å; Q374-A377 PolarHBondContact O-N 3.23Å; A377-R380 PolarHBondContact O-N 2.9Å; A377-K381 PolarHBondContact O-N 3.41Å; A377-K381 VanDerWaalsContact O-N 3.12Å
378A82.1Confident83.7Confident58 Ų5874.1 Ų74.148%0.47937%0.374SS..Hα-helixtrans-63.5-46.9175.600000112.1Q374 L375 R380 K381 E382Q374-A378 PolarHBondContact O-N 3.2Å; L375-A378 PolarHBondContact O-N 2.93Å; A378-R380 PolarHBondContact O-N 3.18Å; A378-K381 WeakPolarHBondContact O-CB 3.41Å; A378-K381 PolarHBondContact O-N 2.81Å; A378-E382 PolarHBondContact O-N 3.32Å; A378-E382 VanDerWaalsContact O-N 3.15Å
379S83.3Confident83.1Confident80 Ų8071.2 Ų71.256%0.55936%0.359SS*.Hα-helixtrans-60.1-42.7177.2-179.10000112.2L375 F376 K381 E382 Y383L375-S379 VanDerWaalsContact O-CB 3.26Å; L375-S379 WeakPolarHBondContact O-CB 3.48Å; L375-S379 PolarHBondContact O-N 2.86Å; F376-S379 PolarHBondContact O-N 2.85Å; S379-K381 PolarHBondContact O-N 2.96Å; S379-E382 PolarHBondContact O-N 2.91Å; S379-Y383 WeakPolarHBondContact O-CB 3.46Å; S379-Y383 PolarHBondContact O-N 2.9Å
380R82.9Confident82.5Confident133 Ų13376.6 Ų76.650%0.50239%0.386SS..Hα-helixtrans-60.1-41.9173.9-84.4-165.659.2-170.8-8.8113F376 A377 A378 Y383 E384F376-R380 HydrophobicContact CD1-CG 4.47Å; F376-R380 VanDerWaalsContact CE1-CD 3.49Å; F376-R380 HydrophobicContact CE1-CG 4.11Å; F376-R380 HydrophobicContact CE2-CG 4.32Å; F376-R380 HydrophobicContact CZ-CG 4.02Å; F376-R380 WeakPolarHBondContact O-CB 3.37Å; F376-R380 WeakPolarHBondContact O-CG 3.28Å; F376-R380 PolarHBondContact O-N 2.81Å; A377-R380 PolarHBondContact O-N 2.9Å; A378-R380 PolarHBondContact O-N 3.18Å; R380-Y383 PolarHBondContact O-N 3.46Å; R380-E384 IonicContact CZ-OE1 2.73Å; R380-E384 IonicContact NE-OE1 3.8Å; R380-E384 IonicContact NH2-OE1 2.67Å; R380-E384 PolarHBondContact NH2-OE1 2.97Å; R380-E384 WeakPolarHBondContact O-CG 3.43Å; R380-E384 PolarHBondContact O-N 3.12Å
381K77.4Confident82Confident154 Ų15481 Ų8167%0.6741%0.407SS*.Hα-helixtrans-63.1-43.2179.1-170.3178.5179-177.40111.8A377 A378 S379 E384 R385A377-K381 PolarHBondContact O-N 3.41Å; A377-K381 VanDerWaalsContact O-N 3.12Å; A378-K381 WeakPolarHBondContact O-CB 3.41Å; A378-K381 PolarHBondContact O-N 2.81Å; S379-K381 PolarHBondContact O-N 2.96Å; K381-E384 PolarHBondContact O-N 2.89Å; K381-R385 PolarHBondContact O-N 3.38Å
382E77Confident81.1Confident98 Ų9880.6 Ų80.646%0.45840%0.404SS..Hα-helixtrans-70.9-32.6175.4-69.6-55.9140.200113A378 S379 R385 S386A378-E382 PolarHBondContact O-N 3.32Å; A378-E382 VanDerWaalsContact O-N 3.15Å; S379-E382 PolarHBondContact O-N 2.91Å; E382-R385 PolarHBondContact O-N 3.34Å; E382-R385 IonicContact OE1-NH1 2.71Å; E382-R385 WeakPolarHBondContact OE2-CD 3.26Å; E382-S386 WeakPolarHBondContact O-CB 3.47Å; E382-S386 PolarHBondContact O-N 2.93Å; E382-S386 PolarHBondContact O-OG 3.25Å
383Y81.1Confident80.6Confident149 Ų14978.1 Ų78.158%0.58439%0.392SS*.Hα-helixtrans-64-45.6171.4177-96.2000112S379 R380 R385 S386 R387S379-Y383 WeakPolarHBondContact O-CB 3.46Å; S379-Y383 PolarHBondContact O-N 2.9Å; R380-Y383 PolarHBondContact O-N 3.46Å; Y383-R385 PolarHBondContact O-N 2.91Å; Y383-S386 PolarHBondContact O-N 3.21Å; Y383-R387 WeakPolarHBondContact O-CB 3.14Å; Y383-R387 PolarHBondContact O-N 3.25Å
384E78.3Confident80.1Confident84 Ų8482.9 Ų82.939%0.39342%0.417SS..Hα-helixtrans-63.6-40177.4-73.3170.7-164.200111.3R380 K381 R387 A388R380-E384 IonicContact CZ-OE1 2.73Å; R380-E384 IonicContact NE-OE1 3.8Å; R380-E384 IonicContact NH2-OE1 2.67Å; R380-E384 PolarHBondContact NH2-OE1 2.97Å; R380-E384 WeakPolarHBondContact O-CG 3.43Å; R380-E384 PolarHBondContact O-N 3.12Å; K381-E384 PolarHBondContact O-N 2.89Å; E384-R387 PolarHBondContact O-N 3.39Å; E384-A388 PolarHBondContact O-N 3.49Å; E384-A388 VanDerWaalsContact O-N 3.08Å
385R75.2Confident79.5Confident72 Ų7281.4 Ų81.427%0.27241%0.412SS..Hα-helixtrans-59.3-48.1170.8-174.1-173-171.6155.39.4112.4K381 E382 Y383 R387 A388 L389 L546K381-R385 PolarHBondContact O-N 3.38Å; E382-R385 PolarHBondContact O-N 3.34Å; E382-R385 IonicContact OE1-NH1 2.71Å; E382-R385 WeakPolarHBondContact OE2-CD 3.26Å; Y383-R385 PolarHBondContact O-N 2.91Å; R385-R387 VanDerWaalsContact C-N 3.35Å; R385-R387 PolarHBondContact O-N 3.11Å; R385-A388 PolarHBondContact O-N 3.23Å; R385-L389 PolarHBondContact O-N 3.43Å; R385-L546 HydrophobicContact CG-CD1 4.03Å
386S77.4Confident78.9Confident59 Ų5975.9 Ų75.941%0.41338%0.383SS..Hα-helixtrans-65.1-38.5-179.6-590000111.9E382 Y383 L389 L390E382-S386 WeakPolarHBondContact O-CB 3.47Å; E382-S386 PolarHBondContact O-N 2.93Å; E382-S386 PolarHBondContact O-OG 3.25Å; Y383-S386 PolarHBondContact O-N 3.21Å; S386-L389 PolarHBondContact O-N 3.23Å; S386-L390 WeakPolarHBondContact O-CG 3.34Å; S386-L390 PolarHBondContact O-N 3.19Å; S386-L390 VanDerWaalsContact O-N 3.13Å
387R82.1Confident78.2Confident118 Ų11875.4 Ų75.445%0.44538%0.38SS..Hα-helixtrans-64.9-43.6176.5-163.7-174.273.2-145.8-9.4111.6Y383 E384 R385 L389 L390 E391Y383-R387 WeakPolarHBondContact O-CB 3.14Å; Y383-R387 PolarHBondContact O-N 3.25Å; E384-R387 PolarHBondContact O-N 3.39Å; R385-R387 VanDerWaalsContact C-N 3.35Å; R385-R387 PolarHBondContact O-N 3.11Å; R387-L389 VanDerWaalsContact C-N 3.29Å; R387-L389 PolarHBondContact O-N 3.39Å; R387-L390 PolarHBondContact O-N 2.89Å; R387-L390 VanDerWaalsContact O-N 3.09Å; R387-E391 WeakPolarHBondContact CD-OE1 3.41Å; R387-E391 WeakPolarHBondContact CG-OE1 3.37Å; R387-E391 IonicContact CZ-OE1 3.44Å; R387-E391 IonicContact NE-OE1 2.68Å; R387-E391 PolarHBondContact NE-OE1 3.26Å; R387-E391 WeakPolarHBondContact O-CG 3.41Å; R387-E391 PolarHBondContact O-N 3.21Å
388A75.8Confident77.9Confident29 Ų2979.5 Ų79.524%0.2439%0.39CS..Hα-helixtrans-59.1-39176.900000112.5E384 R385 V392 L417E384-A388 PolarHBondContact O-N 3.49Å; E384-A388 VanDerWaalsContact O-N 3.08Å; R385-A388 PolarHBondContact O-N 3.23Å; A388-V392 WeakPolarHBondContact O-CG2 3.23Å; A388-V392 PolarHBondContact O-N 3.35Å; A388-L417 HydrophobicContact CB-CD1 4.35Å
389L77.8Confident77.1Confident24 Ų2481.5 Ų81.513%0.12639%0.39CS..Hα-helixtrans-66-39.3173.8-69.2170.5000112.4R385 S386 R387 V392 V393 L546 A549 F550 F553R385-L389 PolarHBondContact O-N 3.43Å; S386-L389 PolarHBondContact O-N 3.23Å; R387-L389 VanDerWaalsContact C-N 3.29Å; R387-L389 PolarHBondContact O-N 3.39Å; L389-V392 WeakPolarHBondContact O-CB 3.5Å; L389-V392 PolarHBondContact O-N 3.4Å; L389-V393 WeakPolarHBondContact O-CG2 3.3Å; L389-V393 PolarHBondContact O-N 2.86Å; L389-L546 HydrophobicContact CD2-CD1 4.36Å; L389-A549 HydrophobicContact CD1-CB 4.2Å; L389-A549 HydrophobicContact CD2-CB 4.45Å; L389-F550 HydrophobicContact CD2-CB 4.17Å; L389-F553 HydrophobicContact CB-CE2 4.39Å
390L79.3Confident76.2Confident118 Ų11879.7 Ų79.762%0.61837%0.372SS*.Hα-helixtrans-69.5-36.2177.4-71.8171.9000113.3S386 R387 V392 V393 N394S386-L390 WeakPolarHBondContact O-CG 3.34Å; S386-L390 PolarHBondContact O-N 3.19Å; S386-L390 VanDerWaalsContact O-N 3.13Å; R387-L390 PolarHBondContact O-N 2.89Å; R387-L390 VanDerWaalsContact O-N 3.09Å; L390-V392 VanDerWaalsContact C-N 3.34Å; L390-V393 PolarHBondContact O-N 3.44Å; L390-N394 PolarHBondContact O-N 3.49Å
391E78.9Confident75.6Confident92 Ų9278.9 Ų78.943%0.4338%0.382SS..Hα-helixtrans-60.9-44.4173.4-72.4168.8-155.200110.5R387 N394 D395R387-E391 WeakPolarHBondContact CD-OE1 3.41Å; R387-E391 WeakPolarHBondContact CG-OE1 3.37Å; R387-E391 IonicContact CZ-OE1 3.44Å; R387-E391 IonicContact NE-OE1 2.68Å; R387-E391 PolarHBondContact NE-OE1 3.26Å; R387-E391 WeakPolarHBondContact O-CG 3.41Å; R387-E391 PolarHBondContact O-N 3.21Å; E391-N394 PolarHBondContact O-N 2.85Å; E391-D395 PolarHBondContact O-N 3.5Å; E391-D395 VanDerWaalsContact O-N 3.15Å
392V73Confident75.8Confident8 Ų874.1 Ų74.15%0.04836%0.364CS..Hα-helixtrans-57.9-50.4172.1169.60000111.2A388 L389 L390 N394 D395 L396 R413 F550A388-V392 WeakPolarHBondContact O-CG2 3.23Å; A388-V392 PolarHBondContact O-N 3.35Å; L389-V392 WeakPolarHBondContact O-CB 3.5Å; L389-V392 PolarHBondContact O-N 3.4Å; L390-V392 VanDerWaalsContact C-N 3.34Å; V392-N394 VanDerWaalsContact C-N 3.32Å; V392-N394 PolarHBondContact O-N 3.38Å; V392-D395 PolarHBondContact O-N 3.49Å; V392-L396 HydrophobicContact CG1-CD1 3.81Å; V392-L396 HydrophobicContact CG1-CG 4.11Å; V392-L396 VanDerWaalsContact O-CG 3.28Å; V392-L396 WeakPolarHBondContact O-CG 3.24Å; V392-L396 PolarHBondContact O-N 2.73Å; V392-R413 HydrophobicContact CG2-CB 4.07Å; V392-R413 HydrophobicContact CG2-CG 4.25Å; V392-F550 HydrophobicContact CB-CD2 4.44Å; V392-F550 HydrophobicContact CB-CE2 4.19Å; V392-F550 HydrophobicContact CG1-CD2 3.85Å; V392-F550 HydrophobicContact CG1-CE2 3.44Å; V392-F550 VanDerWaalsContact CG1-CE2 3.44Å; V392-F550 HydrophobicContact CG1-CZ 4.31Å; V392-F550 HydrophobicContact CG2-CD2 4.06Å; V392-F550 HydrophobicContact CG2-CE2 3.71Å
393V77.2Confident76.1Confident32 Ų3270.9 Ų70.919%0.19435%0.35CS..Hα-helixtrans-53.5-51.3178.5168.80000110.3L389 L390 D395 L396 F397 F553L389-V393 WeakPolarHBondContact O-CG2 3.3Å; L389-V393 PolarHBondContact O-N 2.86Å; L390-V393 PolarHBondContact O-N 3.44Å; V393-D395 VanDerWaalsContact C-N 3.34Å; V393-D395 PolarHBondContact O-N 3.25Å; V393-L396 PolarHBondContact O-N 3.11Å; V393-L396 VanDerWaalsContact O-N 3.16Å; V393-F397 HydrophobicContact CG1-CD2 3.78Å; V393-F397 HydrophobicContact CG1-CE2 4.06Å; V393-F397 VanDerWaalsContact O-CD2 3.24Å; V393-F397 WeakPolarHBondContact O-CD2 3.44Å; V393-F397 PolarHBondContact O-N 2.98Å; V393-F397 VanDerWaalsContact O-N 3.09Å; V393-F553 HydrophobicContact CG2-CB 3.94Å; V393-F553 HydrophobicContact CG2-CD1 3.37Å; V393-F553 HydrophobicContact CG2-CD2 4.02Å; V393-F553 HydrophobicContact CG2-CE1 3.79Å; V393-F553 HydrophobicContact CG2-CE2 4.39Å; V393-F553 HydrophobicContact CG2-CG 3.5Å; V393-F553 VanDerWaalsContact CG2-CG 3.5Å; V393-F553 HydrophobicContact CG2-CZ 4.28Å
394N80.1Confident76.3Confident101 Ų10167.4 Ų67.454%0.5434%0.339SS..Hα-helixtrans-56.8-46.4-179.1-169.574.7000112.5L390 E391 V392 L396 F397 E398L390-N394 PolarHBondContact O-N 3.49Å; E391-N394 PolarHBondContact O-N 2.85Å; V392-N394 VanDerWaalsContact C-N 3.32Å; V392-N394 PolarHBondContact O-N 3.38Å; N394-L396 VanDerWaalsContact C-N 3.33Å; N394-L396 PolarHBondContact O-N 2.88Å; N394-F397 PolarHBondContact O-N 3Å; N394-E398 PolarHBondContact O-N 2.88Å; N394-E398 VanDerWaalsContact O-N 3.11Å
395D74.8Confident76.5Confident36 Ų3668.8 Ų68.819%0.19334%0.343CS..Hα-helixtrans-63-34.1178.9-70.2-5.9000114.1E391 V392 V393 R413E391-D395 PolarHBondContact O-N 3.5Å; E391-D395 VanDerWaalsContact O-N 3.15Å; V392-D395 PolarHBondContact O-N 3.49Å; V393-D395 VanDerWaalsContact C-N 3.34Å; V393-D395 PolarHBondContact O-N 3.25Å; D395-R413 IonicContact OD2-CZ 3.34Å; D395-R413 IonicContact OD2-NE 3.55Å; D395-R413 PolarHBondContact OD2-NE 2.92Å; D395-R413 IonicContact OD2-NH2 3.61Å; D395-R413 PolarHBondContact OD2-NH2 3.08Å
396L73.9Confident77Confident2 Ų265.5 Ų65.51%0.0133%0.331CS..Hα-helixtrans-75.2-32.1178.9-66.6-175.3000112.6V392 V393 N394 I406 I410V392-L396 HydrophobicContact CG1-CD1 3.81Å; V392-L396 HydrophobicContact CG1-CG 4.11Å; V392-L396 VanDerWaalsContact O-CG 3.28Å; V392-L396 WeakPolarHBondContact O-CG 3.24Å; V392-L396 PolarHBondContact O-N 2.73Å; V393-L396 PolarHBondContact O-N 3.11Å; V393-L396 VanDerWaalsContact O-N 3.16Å; N394-L396 VanDerWaalsContact C-N 3.33Å; N394-L396 PolarHBondContact O-N 2.88Å; L396-I406 HydrophobicContact CD2-CG2 4.27Å; L396-I410 HydrophobicContact CD1-CG1 4.11Å; L396-I410 HydrophobicContact CD2-CB 4.47Å; L396-I410 HydrophobicContact CD2-CD1 4.17Å; L396-I410 HydrophobicContact CD2-CG1 3.33Å; L396-I410 HydrophobicContact CG-CG1 4.37Å
397F72.5Confident77.4Confident80 Ų8062.7 Ų62.735%0.35131%0.311SS..Hα-helixtrans-91.8-12.1-177.3-77-85.1000113.8V393 N394 L556V393-F397 HydrophobicContact CG1-CD2 3.78Å; V393-F397 HydrophobicContact CG1-CE2 4.06Å; V393-F397 VanDerWaalsContact O-CD2 3.24Å; V393-F397 WeakPolarHBondContact O-CD2 3.44Å; V393-F397 PolarHBondContact O-N 2.98Å; V393-F397 VanDerWaalsContact O-N 3.09Å; N394-F397 PolarHBondContact O-N 3Å; F397-L556 HydrophobicContact CZ-CB 4.2Å
398E74.8Confident77.5Confident143 Ų14362 Ų6267%0.66831%0.312SS*.Hα-helixtrans-74.9-33180-168.8167.8-152.700114.2N394N394-E398 PolarHBondContact O-N 2.88Å; N394-E398 VanDerWaalsContact O-N 3.11Å
399E65.9Low77.9Confident100 Ų10063.6 Ų63.647%0.46731%0.313SS..  trans-126.666.8-175.6-70.4-170.4148.700114.1T401 I406 K409E399-T401 PolarHBondContact O-N 2.85Å; E399-I406 WeakPolarHBondContact O-CD1 3.43Å; E399-I406 WeakPolarHBondContact O-CG1 3.35Å; E399-K409 VanDerWaalsContact OE2-CE 3.25Å; E399-K409 WeakPolarHBondContact OE2-CE 3.38Å; E399-K409 IonicContact OE2-NZ 3.33Å; E399-K409 PolarHBondContact OE2-NZ 3.21Å
400Q64.9Low78.3Confident42 Ų4262.6 Ų62.620%0.19631%0.308CS..THydrogen-bonded Turntrans-78.329.2-176.8-61.9-165-35.800116.3
401T69.3Low78.7Confident115 Ų11557.1 Ų57.171%0.70628%0.279SS*.THydrogen-bonded Turntrans-96.1-17.6-17059.20000115.8E399E399-T401 PolarHBondContact O-N 2.85Å
402D82.1Confident79Confident54 Ų5457.3 Ų57.329%0.28928%0.28SS..  trans-153.8122.6-171.2180-2.1000110.4E404 K405 I406D402-E404 VanDerWaalsContact C-N 3.27Å; D402-E404 PolarHBondContact O-N 3.05Å; D402-E404 PolarHBondContact OD1-N 2.92Å; D402-K405 HydrophobicContact CB-CB 4.32Å; D402-K405 HydrophobicContact CB-CD 3.96Å; D402-K405 HydrophobicContact CB-CG 4.15Å; D402-K405 PolarHBondContact O-N 3.45Å; D402-K405 WeakPolarHBondContact OD2-CE 3.47Å; D402-K405 WeakPolarHBondContact OD2-CG 3.31Å; D402-K405 IonicContact OD2-NZ 3.52Å; D402-I406 WeakPolarHBondContact O-CG1 3.39Å; D402-I406 PolarHBondContact O-N 2.93Å
403L84.8Confident79.6Confident31 Ų3161.3 Ų61.316%0.16229%0.294CS..Hα-helixtrans-57.5-40-179.3177.361.7000111.9K405 I406 V407 L427 K440 I558 T561 I562L403-K405 PolarHBondContact O-N 2.92Å; L403-I406 PolarHBondContact O-N 2.86Å; L403-V407 HydrophobicContact CD1-CG2 3.96Å; L403-V407 HydrophobicContact CG-CG2 4.43Å; L403-V407 WeakPolarHBondContact O-CG2 3.42Å; L403-V407 PolarHBondContact O-N 2.93Å; L403-L427 HydrophobicContact CD1-CD1 4.09Å; L403-L427 HydrophobicContact CD2-CD1 3.9Å; L403-L427 HydrophobicContact CG-CD1 4.32Å; L403-K440 HydrophobicContact CD2-CD 4.47Å; L403-I558 HydrophobicContact CD1-CG2 3.96Å; L403-T561 HydrophobicContact CB-CG2 4.3Å; L403-I562 HydrophobicContact CD1-CG1 4.22Å; L403-I562 HydrophobicContact CD2-CG1 4.26Å
404E84.2Confident80Confident75 Ų7559.8 Ų59.835%0.3529%0.285SS..Hα-helixtrans-72.4-35.1-172.3-51.1-161.9168.100111.5D402 K408 K440 F442D402-E404 VanDerWaalsContact C-N 3.27Å; D402-E404 PolarHBondContact O-N 3.05Å; D402-E404 PolarHBondContact OD1-N 2.92Å; E404-K408 WeakPolarHBondContact O-CB 3.37Å; E404-K408 WeakPolarHBondContact O-CD 3.46Å; E404-K408 WeakPolarHBondContact O-CG 3.28Å; E404-K408 PolarHBondContact O-N 3.17Å; E404-K440 IonicContact OE1-NZ 2.82Å; E404-K440 PolarHBondContact OE1-NZ 3.16Å; E404-F442 HydrophobicContact CB-CE1 3.92Å; E404-F442 HydrophobicContact CG-CE1 3.8Å; E404-F442 HydrophobicContact CG-CZ 4.1Å
405K83Confident80.3Confident113 Ų11355.5 Ų55.549%0.49126%0.262SS..Hα-helixtrans-67.9-41.4175.4-67.2176.9-168.4163.50111.7D402 L403 K408 K409D402-K405 HydrophobicContact CB-CB 4.32Å; D402-K405 HydrophobicContact CB-CD 3.96Å; D402-K405 HydrophobicContact CB-CG 4.15Å; D402-K405 PolarHBondContact O-N 3.45Å; D402-K405 WeakPolarHBondContact OD2-CE 3.47Å; D402-K405 WeakPolarHBondContact OD2-CG 3.31Å; D402-K405 IonicContact OD2-NZ 3.52Å; L403-K405 PolarHBondContact O-N 2.92Å; K405-K408 PolarHBondContact O-N 3.46Å; K405-K409 WeakPolarHBondContact O-CG 3.48Å; K405-K409 PolarHBondContact O-N 3.42Å
406I85.1Confident80.8Confident3 Ų357.7 Ų57.72%0.01528%0.277CS..Hα-helixtrans-68.5-45.2179.9-65.6167.8000110.4L396 E399 D402 L403 K408 K409 I410 T561L396-I406 HydrophobicContact CD2-CG2 4.27Å; E399-I406 WeakPolarHBondContact O-CD1 3.43Å; E399-I406 WeakPolarHBondContact O-CG1 3.35Å; D402-I406 WeakPolarHBondContact O-CG1 3.39Å; D402-I406 PolarHBondContact O-N 2.93Å; L403-I406 PolarHBondContact O-N 2.86Å; I406-K408 VanDerWaalsContact C-N 3.32Å; I406-K408 PolarHBondContact O-N 2.82Å; I406-K409 WeakPolarHBondContact O-CB 3.44Å; I406-K409 PolarHBondContact O-N 3.4Å; I406-K409 VanDerWaalsContact O-N 3.14Å; I406-I410 HydrophobicContact CG2-CD1 3.94Å; I406-I410 HydrophobicContact CG2-CG1 4.45Å; I406-I410 VanDerWaalsContact O-CG1 3.32Å; I406-I410 WeakPolarHBondContact O-CG1 3.14Å; I406-I410 PolarHBondContact O-N 3.49Å; I406-T561 HydrophobicContact CD1-CG2 3.7Å; I406-T561 WeakPolarHBondContact CD1-OG1 3.45Å
407V86.6Confident81.3Confident0 Ų059.6 Ų59.60%029%0.287CS..Hα-helixtrans-61.7-40.6176.2175.60000111.2L403 K409 I410 M411 V425 F442 I558L403-V407 HydrophobicContact CD1-CG2 3.96Å; L403-V407 HydrophobicContact CG-CG2 4.43Å; L403-V407 WeakPolarHBondContact O-CG2 3.42Å; L403-V407 PolarHBondContact O-N 2.93Å; V407-K409 PolarHBondContact O-N 2.88Å; V407-I410 WeakPolarHBondContact O-CB 3.47Å; V407-I410 PolarHBondContact O-N 3.22Å; V407-M411 HydrophobicContact CG1-CG 4.44Å; V407-M411 HydrophobicContact CG1-SD 3.48Å; V407-M411 WeakPolarHBondContact CG1-SD 3.13Å; V407-M411 VanDerWaalsContact O-CG 3.28Å; V407-M411 WeakPolarHBondContact O-CG 3.12Å; V407-M411 PolarHBondContact O-N 3.48Å; V407-V425 HydrophobicContact CG1-CB 3.73Å; V407-V425 HydrophobicContact CG1-CG1 3.78Å; V407-V425 HydrophobicContact CG1-CG2 4.2Å; V407-F442 HydrophobicContact CB-CD1 4.43Å; V407-F442 HydrophobicContact CB-CD2 4.21Å; V407-F442 HydrophobicContact CB-CE2 4.36Å; V407-F442 HydrophobicContact CB-CG 4.22Å; V407-F442 HydrophobicContact CG1-CB 3.6Å; V407-F442 HydrophobicContact CG1-CD1 4.08Å; V407-F442 HydrophobicContact CG1-CD2 3.52Å; V407-F442 HydrophobicContact CG1-CE2 4.13Å; V407-F442 HydrophobicContact CG1-CG 3.46Å; V407-F442 VanDerWaalsContact CG1-CG 3.46Å; V407-F442 HydrophobicContact CG2-CD2 4.41Å; V407-F442 HydrophobicContact CG2-CE2 4.23Å; V407-I558 HydrophobicContact CG2-CD1 4.19Å; V407-I558 HydrophobicContact CG2-CG1 4.07Å
408K84.5Confident82Confident104 Ų10455.9 Ų55.945%0.45227%0.271SS..Hα-helixtrans-60-42.9171.8-74.1170.4-177.21790113E404 K405 I406 M411 H412E404-K408 WeakPolarHBondContact O-CB 3.37Å; E404-K408 WeakPolarHBondContact O-CD 3.46Å; E404-K408 WeakPolarHBondContact O-CG 3.28Å; E404-K408 PolarHBondContact O-N 3.17Å; K405-K408 PolarHBondContact O-N 3.46Å; I406-K408 VanDerWaalsContact C-N 3.32Å; I406-K408 PolarHBondContact O-N 2.82Å; K408-M411 PolarHBondContact O-N 3.19Å; K408-H412 PolarHBondContact O-N 3.39Å; K408-H412 VanDerWaalsContact O-N 3.08Å
409K84.3Confident82.6Confident62 Ų6255.9 Ų55.927%0.2727%0.268SS..Hα-helixtrans-62.4-44.8174.1-74.4-174.3-176.5-173.90112.2E399 K405 I406 V407 M411 H412 R413E399-K409 VanDerWaalsContact OE2-CE 3.25Å; E399-K409 WeakPolarHBondContact OE2-CE 3.38Å; E399-K409 IonicContact OE2-NZ 3.33Å; E399-K409 PolarHBondContact OE2-NZ 3.21Å; K405-K409 WeakPolarHBondContact O-CG 3.48Å; K405-K409 PolarHBondContact O-N 3.42Å; I406-K409 WeakPolarHBondContact O-CB 3.44Å; I406-K409 PolarHBondContact O-N 3.4Å; I406-K409 VanDerWaalsContact O-N 3.14Å; V407-K409 PolarHBondContact O-N 2.88Å; K409-M411 VanDerWaalsContact C-N 3.35Å; K409-M411 PolarHBondContact O-N 3.39Å; K409-H412 PolarHBondContact O-N 3.29Å; K409-R413 WeakPolarHBondContact O-CG 3.26Å; K409-R413 PolarHBondContact O-N 3.09Å
410I85.6Confident83.7Confident4 Ų451.1 Ų51.12%0.02125%0.246CC..Hα-helixtrans-52.5-54.5174.8-73166.5000109.5L396 I406 V407 H412 R413 A414 F550 C554 I558L396-I410 HydrophobicContact CD1-CG1 4.11Å; L396-I410 HydrophobicContact CD2-CB 4.47Å; L396-I410 HydrophobicContact CD2-CD1 4.17Å; L396-I410 HydrophobicContact CD2-CG1 3.33Å; L396-I410 HydrophobicContact CG-CG1 4.37Å; I406-I410 HydrophobicContact CG2-CD1 3.94Å; I406-I410 HydrophobicContact CG2-CG1 4.45Å; I406-I410 VanDerWaalsContact O-CG1 3.32Å; I406-I410 WeakPolarHBondContact O-CG1 3.14Å; I406-I410 PolarHBondContact O-N 3.49Å; V407-I410 WeakPolarHBondContact O-CB 3.47Å; V407-I410 PolarHBondContact O-N 3.22Å; I410-H412 PolarHBondContact O-N 3Å; I410-R413 PolarHBondContact O-N 2.82Å; I410-A414 WeakPolarHBondContact O-CB 3.33Å; I410-A414 PolarHBondContact O-N 3.1Å; I410-F550 HydrophobicContact CG2-CE1 3.95Å; I410-F550 HydrophobicContact CG2-CZ 4.13Å; I410-F550 WeakPolarHBondContact O-CZ 3.44Å; I410-C554 HydrophobicContact CD1-CB 3.81Å; I410-C554 HydrophobicContact CG1-CB 4.17Å; I410-C554 HydrophobicContact CG2-CB 4.06Å; I410-C554 WeakPolarHBondContact CG2-SG 3.45Å; I410-I558 HydrophobicContact CD1-CD1 3.72Å; I410-I558 HydrophobicContact CD1-CG1 3.73Å
411M86.9Confident84.8Confident2 Ų250.4 Ų50.41%0.0124%0.243CC..Hα-helixtrans-66-38-174.3-65.4152.368.900112.5V407 K408 K409 R413 A414 Q415 C423 V425 F442 E443 L444V407-M411 HydrophobicContact CG1-CG 4.44Å; V407-M411 HydrophobicContact CG1-SD 3.48Å; V407-M411 WeakPolarHBondContact CG1-SD 3.13Å; V407-M411 VanDerWaalsContact O-CG 3.28Å; V407-M411 WeakPolarHBondContact O-CG 3.12Å; V407-M411 PolarHBondContact O-N 3.48Å; K408-M411 PolarHBondContact O-N 3.19Å; K409-M411 VanDerWaalsContact C-N 3.35Å; K409-M411 PolarHBondContact O-N 3.39Å; M411-R413 VanDerWaalsContact C-N 3.35Å; M411-R413 PolarHBondContact O-N 3.06Å; M411-A414 PolarHBondContact O-N 3.44Å; M411-Q415 VanDerWaalsContact O-CB 3.29Å; M411-Q415 WeakPolarHBondContact O-CB 3.48Å; M411-Q415 PolarHBondContact O-N 3.03Å; M411-C423 HydrophobicContact CB-CB 4.31Å; M411-C423 VanDerWaalsContact CE-O 3.26Å; M411-C423 WeakPolarHBondContact CE-O 3.37Å; M411-V425 HydrophobicContact CG-CB 4.41Å; M411-V425 HydrophobicContact CG-CG2 3.66Å; M411-V425 HydrophobicContact SD-CB 4.18Å; M411-V425 HydrophobicContact SD-CG2 4.07Å; M411-F442 HydrophobicContact CE-CB 3.95Å; M411-F442 WeakPolarHBondContact CE-O 3.45Å; M411-F442 HydrophobicContact SD-CB 3.66Å; M411-E443 VanDerWaalsContact CE-N 3.28Å; M411-L444 HydrophobicContact CB-CB 4.07Å; M411-L444 HydrophobicContact CB-CD2 3.97Å; M411-L444 HydrophobicContact CE-CB 3.69Å; M411-L444 VanDerWaalsContact CE-N 3.27Å
412H85.8Confident85.6Confident96 Ų9646.4 Ų46.444%0.44421%0.214SC..Hα-helixtrans-66-37.4175.9-169.761.6000112.4K408 K409 I410 T416 L444K408-H412 PolarHBondContact O-N 3.39Å; K408-H412 VanDerWaalsContact O-N 3.08Å; K409-H412 PolarHBondContact O-N 3.29Å; I410-H412 PolarHBondContact O-N 3Å; H412-T416 PolarHBondContact O-N 3.43Å; H412-T416 VanDerWaalsContact O-N 3.1Å; H412-T416 PolarHBondContact O-OG1 3.23Å; H412-L444 VanDerWaalsContact CA-CD2 3.48Å; H412-L444 HydrophobicContact CB-CD2 3.87Å
413R85.1Confident85.9Confident92 Ų9243.9 Ų43.935%0.34720%0.201SC..Hα-helixtrans-69.5-44.1173.2-71.3-65.1-176.1-153.65.6112.1V392 D395 K409 I410 M411 Q415 T416 L417 F550V392-R413 HydrophobicContact CG2-CB 4.07Å; V392-R413 HydrophobicContact CG2-CG 4.25Å; D395-R413 IonicContact OD2-CZ 3.34Å; D395-R413 IonicContact OD2-NE 3.55Å; D395-R413 PolarHBondContact OD2-NE 2.92Å; D395-R413 IonicContact OD2-NH2 3.61Å; D395-R413 PolarHBondContact OD2-NH2 3.08Å; K409-R413 WeakPolarHBondContact O-CG 3.26Å; K409-R413 PolarHBondContact O-N 3.09Å; I410-R413 PolarHBondContact O-N 2.82Å; M411-R413 VanDerWaalsContact C-N 3.35Å; M411-R413 PolarHBondContact O-N 3.06Å; R413-Q415 VanDerWaalsContact C-N 3.33Å; R413-Q415 PolarHBondContact O-N 3Å; R413-T416 PolarHBondContact O-N 3.13Å; R413-L417 VanDerWaalsContact O-CB 3.27Å; R413-L417 WeakPolarHBondContact O-CB 3.43Å; R413-L417 PolarHBondContact O-N 3.39Å; R413-F550 HydrophobicContact CB-CE2 3.91Å; R413-F550 HydrophobicContact CB-CZ 4.07Å
414A86.8Confident86.1Confident1 Ų142.5 Ų42.51%0.00819%0.194CC..Hα-helixtrans-56.5-47.117500000111.6I410 M411 T416 L417 L418 F547 F550I410-A414 WeakPolarHBondContact O-CB 3.33Å; I410-A414 PolarHBondContact O-N 3.1Å; M411-A414 PolarHBondContact O-N 3.44Å; A414-T416 PolarHBondContact O-N 2.91Å; A414-L417 PolarHBondContact O-N 3.5Å; A414-L418 PolarHBondContact O-N 2.87Å; A414-F547 HydrophobicContact CB-CE2 4.27Å; A414-F550 HydrophobicContact CB-CD1 4.39Å; A414-F550 HydrophobicContact CB-CE1 3.59Å; A414-F550 HydrophobicContact CB-CZ 3.82Å
415Q86.1Confident86.4Confident11 Ų1139 Ų395%0.05118%0.178CC..Hα-helixtrans-62.7-39.4177.6174.8163.470.400113.1M411 R413 K419 C420 E421 S446M411-Q415 VanDerWaalsContact O-CB 3.29Å; M411-Q415 WeakPolarHBondContact O-CB 3.48Å; M411-Q415 PolarHBondContact O-N 3.03Å; R413-Q415 VanDerWaalsContact C-N 3.33Å; R413-Q415 PolarHBondContact O-N 3Å; Q415-K419 WeakPolarHBondContact O-CA 3.38Å; Q415-K419 PolarHBondContact O-N 3.31Å; Q415-C420 PolarHBondContact NE2-O 3Å; Q415-C420 VanDerWaalsContact NE2-O 3.12Å; Q415-E421 PolarHBondContact NE2-O 2.75Å; Q415-S446 VanDerWaalsContact NE2-N 3.16Å
416T84.3Confident86.7Confident81 Ų8133.7 Ų33.750%0.49716%0.155SC..Hα-helixtrans-69.1-38.3176.2-55.90000111.5H412 R413 A414H412-T416 PolarHBondContact O-N 3.43Å; H412-T416 VanDerWaalsContact O-N 3.1Å; H412-T416 PolarHBondContact O-OG1 3.23Å; R413-T416 PolarHBondContact O-N 3.13Å; A414-T416 PolarHBondContact O-N 2.91Å
417L84.9Confident86.8Confident42 Ų4234.1 Ų34.122%0.2216%0.157CC..Hα-helixtrans-71-46.8-176.9-172.365.4000112.4A388 R413 A414 L546 F550A388-L417 HydrophobicContact CB-CD1 4.35Å; R413-L417 VanDerWaalsContact O-CB 3.27Å; R413-L417 WeakPolarHBondContact O-CB 3.43Å; R413-L417 PolarHBondContact O-N 3.39Å; A414-L417 PolarHBondContact O-N 3.5Å; L417-L546 HydrophobicContact CD1-CD1 4.33Å; L417-L546 HydrophobicContact CD1-CD2 3.93Å; L417-L546 HydrophobicContact CD1-CG 4.33Å; L417-L546 HydrophobicContact CD2-CD1 4.1Å; L417-L546 HydrophobicContact CD2-CD2 4.25Å; L417-L546 HydrophobicContact CD2-CG 3.88Å; L417-L546 HydrophobicContact CG-CD1 4.43Å; L417-L546 HydrophobicContact CG-CD2 3.8Å; L417-L546 HydrophobicContact CG-CG 4.01Å; L417-F550 HydrophobicContact CD2-CB 4.09Å; L417-F550 HydrophobicContact CD2-CD2 3.71Å; L417-F550 HydrophobicContact CD2-CE2 4.45Å; L417-F550 HydrophobicContact CD2-CG 4.06Å
418L86.8Confident86.8Confident3 Ų335.6 Ų35.62%0.01617%0.165CC..Hα-helixtrans-98.9-3.9-174.9-62.4167.7000113.5A414 C420 V530 D543 L546 F547A414-L418 PolarHBondContact O-N 2.87Å; L418-C420 PolarHBondContact O-N 3.32Å; L418-V530 HydrophobicContact CD1-CG1 4.26Å; L418-V530 HydrophobicContact CD1-CG2 4.02Å; L418-D543 HydrophobicContact CD2-CB 4.13Å; L418-L546 HydrophobicContact CD2-CD2 4.35Å; L418-F547 HydrophobicContact CD1-CB 3.68Å; L418-F547 HydrophobicContact CD1-CD1 4.3Å; L418-F547 HydrophobicContact CD1-CD2 3.41Å; L418-F547 VanDerWaalsContact CD1-CD2 3.41Å; L418-F547 HydrophobicContact CD1-CE2 4.06Å; L418-F547 HydrophobicContact CD1-CG 3.55Å; L418-F547 HydrophobicContact CD2-CB 4.36Å
419K88.1Confident86.2Confident143 Ų14336.1 Ų36.162%0.62217%0.169SC*.THydrogen-bonded Turntrans50.654.4-179.6-59177-176.9173.30111.8Q415 L534Q415-K419 WeakPolarHBondContact O-CA 3.38Å; Q415-K419 PolarHBondContact O-N 3.31Å; K419-L534 HydrophobicContact CB-CD1 4.19Å; K419-L534 VanDerWaalsContact O-CB 3.25Å; K419-L534 WeakPolarHBondContact O-CB 3.44Å; K419-L534 WeakPolarHBondContact O-CG 3.28Å; K419-L534 PolarHBondContact O-N 2.82Å
420C88.5Confident85.7Confident0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans-99.3157.6-179.967.70000113.7Q415 L418 R422 V530 N532 F539Q415-C420 PolarHBondContact NE2-O 3Å; Q415-C420 VanDerWaalsContact NE2-O 3.12Å; L418-C420 PolarHBondContact O-N 3.32Å; C420-R422 PolarHBondContact SG-O 3.39Å; C420-V530 HydrophobicContact CB-CB 4.08Å; C420-N532 CarbonylContact C-O 3.57Å; C420-N532 VanDerWaalsContact CA-O 3.23Å; C420-N532 WeakPolarHBondContact CA-O 2.96Å; C420-F539 HydrophobicContact CB-CE1 4.4Å; C420-F539 HydrophobicContact CB-CZ 4.12Å
421E87.2Confident85.1Confident26 Ų2640.8 Ų40.812%0.12120%0.196CC..EExtended strand (participates in β ladder)trans-72.6-35.4174.8-65.7176.4-177.800111.6Q415 S446 F507 R510 L531 N532 L534Q415-E421 PolarHBondContact NE2-O 2.75Å; E421-S446 VanDerWaalsContact O-CB 3.28Å; E421-S446 WeakPolarHBondContact O-CB 3.44Å; E421-S446 PolarHBondContact O-N 3.5Å; E421-F507 HydrophobicContact CB-CE2 4.37Å; E421-F507 HydrophobicContact CB-CZ 4.1Å; E421-R510 IonicContact OE1-CZ 2.82Å; E421-R510 IonicContact OE1-NH1 3.67Å; E421-R510 PolarHBondContact OE1-NH1 3.11Å; E421-R510 IonicContact OE1-NH2 3.44Å; E421-R510 PolarHBondContact OE1-NH2 2.91Å; E421-R510 IonicContact OE2-NH1 3.67Å; E421-R510 PolarHBondContact OE2-NH1 3.18Å; E421-R510 IonicContact OE2-NH2 2.67Å; E421-L531 PolarHBondContact N-O 3.43Å; E421-N532 HydrophobicContact CB-CB 3.99Å; E421-N532 HydrophobicContact CG-CB 3.8Å; E421-N532 PolarHBondContact N-O 3.34Å; E421-N532 WeakPolarHBondContact OE2-CB 3.37Å; E421-N532 PolarHBondContact OE2-ND2 2.73Å; E421-L534 HydrophobicContact CG-CD2 3.79Å; E421-L534 HydrophobicContact CG-CG 4.5Å
422R86Confident84.4Confident31 Ų3148.6 Ų48.612%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-142.2146.4-175.5-145.8161.4-179.3168.8-5.1111.5C420 E443 L444 L445 F507 V530 L531C420-R422 PolarHBondContact SG-O 3.39Å; R422-E443 HydrophobicContact CG-CG 4.38Å; R422-E443 IonicContact CZ-OE1 3.83Å; R422-E443 IonicContact CZ-OE2 3.11Å; R422-E443 IonicContact NE-OE1 2.74Å; R422-E443 PolarHBondContact NE-OE1 2.98Å; R422-E443 IonicContact NE-OE2 3.78Å; R422-E443 PolarHBondContact NE-OE2 3.43Å; R422-E443 IonicContact NH2-OE1 2.72Å; R422-E443 PolarHBondContact NH2-OE1 2.86Å; R422-E443 VanDerWaalsContact NH2-OE1 3.11Å; R422-E443 IonicContact NH2-OE2 3.91Å; R422-E443 PolarHBondContact NH2-OE2 3.14Å; R422-L444 WeakPolarHBondContact CA-O 3.43Å; R422-L445 HydrophobicContact CB-CD2 4.48Å; R422-L445 HydrophobicContact CG-CD2 3.76Å; R422-L445 HydrophobicContact CG-CG 4.14Å; R422-F507 HydrophobicContact CB-CZ 4.23Å; R422-F507 VanDerWaalsContact NH1-CG 3.28Å; R422-V530 WeakPolarHBondContact O-CA 2.93Å; R422-L531 HydrophobicContact CB-CB 4.03Å; R422-L531 HydrophobicContact CB-CD1 4.22Å; R422-L531 HydrophobicContact CB-CG 4.4Å; R422-L531 PolarHBondContact N-O 3.17Å; R422-L531 PolarHBondContact O-N 3.14Å
423C89.4Confident83.8Confident1 Ų146.1 Ų46.11%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-136.9134.1172-177.80000109.9M411 L444 Q529 V530M411-C423 HydrophobicContact CB-CB 4.31Å; M411-C423 VanDerWaalsContact CE-O 3.26Å; M411-C423 WeakPolarHBondContact CE-O 3.37Å; C423-L444 PolarHBondContact N-O 3.08Å; C423-L444 PolarHBondContact O-N 2.97Å; C423-Q529 CarbonylContact C-O 3.12Å; C423-Q529 WeakPolarHBondContact CA-O 3.4Å; C423-V530 HydrophobicContact CB-CG1 4.05Å
424S88.5Confident83Confident2 Ų248.1 Ų48.11%0.01425%0.251CS..EExtended strand (participates in β ladder)trans-129.5149.1176.553.20000111.4F442 Q529S424-F442 CarbonylContact C-O 3.5Å; S424-F442 WeakPolarHBondContact CA-O 3.21Å; S424-Q529 PolarHBondContact N-O 3.44Å; S424-Q529 PolarHBondContact O-N 3.47Å; S424-Q529 WeakPolarHBondContact OG-CB 3.28Å; S424-Q529 PolarHBondContact OG-OE1 3.12Å
425V90.2Very high82.4Confident1 Ų152.2 Ų52.21%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-132122.7174.6169.70000108.3V407 M411 L427 F442 I517 A528V407-V425 HydrophobicContact CG1-CB 3.73Å; V407-V425 HydrophobicContact CG1-CG1 3.78Å; V407-V425 HydrophobicContact CG1-CG2 4.2Å; M411-V425 HydrophobicContact CG-CB 4.41Å; M411-V425 HydrophobicContact CG-CG2 3.66Å; M411-V425 HydrophobicContact SD-CB 4.18Å; M411-V425 HydrophobicContact SD-CG2 4.07Å; V425-L427 HydrophobicContact CG1-CD2 3.95Å; V425-L427 HydrophobicContact CG1-CG 4.42Å; V425-F442 HydrophobicContact CB-CB 4.48Å; V425-F442 PolarHBondContact N-O 3.05Å; V425-F442 PolarHBondContact O-N 3.41Å; V425-I517 HydrophobicContact CG1-CD1 3.82Å; V425-A528 HydrophobicContact CG2-CB 4.32Å
426L89.1Confident82Confident3 Ų353.8 Ų53.82%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-115.7118.4-176-71.5153.3000108.3F438 S441 L470 A476 G526 V527L426-F438 HydrophobicContact CB-CD1 3.68Å; L426-F438 HydrophobicContact CB-CE1 3.89Å; L426-F438 HydrophobicContact CB-CG 4.01Å; L426-F438 HydrophobicContact CB-CZ 4.4Å; L426-F438 HydrophobicContact CD2-CB 4.23Å; L426-F438 HydrophobicContact CD2-CD2 4.23Å; L426-F438 HydrophobicContact CD2-CG 4.13Å; L426-S441 WeakPolarHBondContact CD2-OG 3.42Å; L426-L470 HydrophobicContact CD2-CD2 4.4Å; L426-A476 HydrophobicContact CD1-CB 3.61Å; L426-G526 CarbonylContact O-C 3.57Å; L426-G526 WeakPolarHBondContact O-CA 3.48Å; L426-V527 HydrophobicContact CB-CG2 3.86Å; L426-V527 HydrophobicContact CD1-CG2 3.96Å; L426-V527 PolarHBondContact N-O 3.41Å; L426-V527 PolarHBondContact O-N 3.02Å
427L89Confident81.7Confident11 Ų1155.4 Ų55.46%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-103.3136.4-179.4-57.8-176.6000111.2L403 V425 F438 T439 K440 F442 I517 I558L403-L427 HydrophobicContact CD1-CD1 4.09Å; L403-L427 HydrophobicContact CD2-CD1 3.9Å; L403-L427 HydrophobicContact CG-CD1 4.32Å; V425-L427 HydrophobicContact CG1-CD2 3.95Å; V425-L427 HydrophobicContact CG1-CG 4.42Å; L427-F438 CarbonylContact O-C 3.44Å; L427-F438 WeakPolarHBondContact O-CA 3.37Å; L427-T439 PolarHBondContact O-N 3.33Å; L427-K440 PolarHBondContact N-O 2.92Å; L427-F442 HydrophobicContact CD1-CE2 3.89Å; L427-F442 HydrophobicContact CG-CE2 4.3Å; L427-I517 HydrophobicContact CD2-CD1 4.46Å; L427-I558 HydrophobicContact CD1-CG2 4.39Å; L427-I558 HydrophobicContact CD2-CD1 4.35Å; L427-I558 HydrophobicContact CD2-CG2 4.15Å
428L86Confident81.6Confident31 Ų3155.1 Ų55.116%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-71.2150-177.4-67171.1000112.5V436 K437 F438 A480 I524 I525L428-V436 HydrophobicContact CD2-CG1 3.83Å; L428-K437 CarbonylContact C-O 3.57Å; L428-K437 WeakPolarHBondContact CA-O 3.25Å; L428-F438 HydrophobicContact CD2-CD1 3.73Å; L428-F438 HydrophobicContact CD2-CE1 3.57Å; L428-F438 HydrophobicContact CD2-CZ 4.45Å; L428-F438 HydrophobicContact CG-CD1 4.42Å; L428-F438 HydrophobicContact CG-CE1 4.36Å; L428-A480 HydrophobicContact CD2-CB 4.46Å; L428-I524 HydrophobicContact CD1-CB 4.44Å; L428-I524 HydrophobicContact CD1-CG2 4.02Å; L428-I524 WeakPolarHBondContact CD1-O 3.34Å; L428-I525 PolarHBondContact N-O 3.27Å
429E72.4Confident80.8Confident116 Ų11657.7 Ų57.754%0.54230%0.299SS..SBendtrans-74-49176.1-178.2165.2-145.500112.3K437 T439E429-K437 HydrophobicContact CB-CB 4.08Å; E429-K437 PolarHBondContact N-O 2.98Å; E429-K437 WeakPolarHBondContact OE2-CD 3.41Å; E429-T439 WeakPolarHBondContact CA-OG1 3.45Å; E429-T439 WeakPolarHBondContact CB-OG1 3.28Å; E429-T439 VanDerWaalsContact CG-OG1 3.24Å; E429-T439 WeakPolarHBondContact CG-OG1 3.18Å
430D73.4Confident80.3Confident86 Ų8654.5 Ų54.546%0.4629%0.285SS..  trans-142126.3-177.7-177.4-1.2000107.8E432D430-E432 VanDerWaalsContact C-N 3.28Å; D430-E432 PolarHBondContact OD1-N 3.46Å
431I72.3Confident79.8Confident78 Ų7856.7 Ų56.740%0.430%0.3SS..SBendtrans-77.1-20.9-178.4-58.3163.9000110.3Q523 I525I431-Q523 HydrophobicContact CG2-CB 3.64Å; I431-Q523 HydrophobicContact CG2-CG 4.23Å; I431-I525 HydrophobicContact CD1-CG2 3.8Å; I431-I525 HydrophobicContact CG1-CG2 4.35Å
432E71.8Confident79.7Confident166 Ų16656.4 Ų56.478%0.77630%0.299SS*.SBendtrans-96.9-10.8-179.4-58.5-175.6-179.800112.6D430D430-E432 VanDerWaalsContact C-N 3.28Å; D430-E432 PolarHBondContact OD1-N 3.46Å
433S73.1Confident79.4Confident43 Ų4357.7 Ų57.730%0.30131%0.306SS..  trans-69.7128.8177169.80000111.6V435S433-V435 PolarHBondContact O-N 2.98Å; S433-V435 PolarHBondContact OG-N 3Å; S433-V435 VanDerWaalsContact OG-N 3.12Å; S433-V435 PolarHBondContact OG-O 3.32Å
434P68.1Low79.1Confident134 Ų13460 Ų6087%0.8732%0.318SS*.SBendtrans-72-10.917331.4-36000113.1
435V74.9Confident78.7Confident88 Ų8864 Ų6453%0.53334%0.339SS..SBendtrans-100.7117.1174.2-177.30000108.4S433 K437S433-V435 PolarHBondContact O-N 2.98Å; S433-V435 PolarHBondContact OG-N 3Å; S433-V435 VanDerWaalsContact OG-N 3.12Å; S433-V435 PolarHBondContact OG-O 3.32Å; V435-K437 HydrophobicContact CG1-CG 4.29Å; V435-K437 PolarHBondContact O-N 3.3Å
436V78.1Confident78Confident44 Ų4464.3 Ų64.327%0.26734%0.341SS..  trans-62.5120.8173.2177.40000109.1L428 F438 E477 A480L428-V436 HydrophobicContact CD2-CG1 3.83Å; V436-F438 HydrophobicContact CG1-CE1 4.17Å; V436-F438 HydrophobicContact CG1-CE2 4.01Å; V436-F438 HydrophobicContact CG1-CZ 3.72Å; V436-E477 HydrophobicContact CG1-CB 4.47Å; V436-E477 HydrophobicContact CG1-CG 4.13Å; V436-A480 HydrophobicContact CG1-CB 3.84Å; V436-A480 HydrophobicContact CG2-CB 4.21Å
437K78.1Confident76.8Confident115 Ų11568.2 Ų68.250%0.537%0.367SS..  trans-139.5138.5171.5-71.5-176.9179.4176.60109.3L428 E429 V435L428-K437 CarbonylContact C-O 3.57Å; L428-K437 WeakPolarHBondContact CA-O 3.25Å; E429-K437 HydrophobicContact CB-CB 4.08Å; E429-K437 PolarHBondContact N-O 2.98Å; E429-K437 WeakPolarHBondContact OE2-CD 3.41Å; V435-K437 HydrophobicContact CG1-CG 4.29Å; V435-K437 PolarHBondContact O-N 3.3Å
438F81.5Confident75.5Confident36 Ų3676.1 Ų76.116%0.15840%0.4CS..EExtended strand (participates in β ladder)trans-105117.5178-55.8-69.2000110.5L426 L427 L428 V436 A476 E477 A480 V527L426-F438 HydrophobicContact CB-CD1 3.68Å; L426-F438 HydrophobicContact CB-CE1 3.89Å; L426-F438 HydrophobicContact CB-CG 4.01Å; L426-F438 HydrophobicContact CB-CZ 4.4Å; L426-F438 HydrophobicContact CD2-CB 4.23Å; L426-F438 HydrophobicContact CD2-CD2 4.23Å; L426-F438 HydrophobicContact CD2-CG 4.13Å; L427-F438 CarbonylContact O-C 3.44Å; L427-F438 WeakPolarHBondContact O-CA 3.37Å; L428-F438 HydrophobicContact CD2-CD1 3.73Å; L428-F438 HydrophobicContact CD2-CE1 3.57Å; L428-F438 HydrophobicContact CD2-CZ 4.45Å; L428-F438 HydrophobicContact CG-CD1 4.42Å; L428-F438 HydrophobicContact CG-CE1 4.36Å; V436-F438 HydrophobicContact CG1-CE1 4.17Å; V436-F438 HydrophobicContact CG1-CE2 4.01Å; V436-F438 HydrophobicContact CG1-CZ 3.72Å; F438-A476 HydrophobicContact CE2-CB 4.37Å; F438-A476 HydrophobicContact CZ-CB 4.24Å; F438-E477 HydrophobicContact CE2-CG 3.79Å; F438-E477 HydrophobicContact CZ-CG 4.36Å; F438-A480 HydrophobicContact CE1-CB 4.33Å; F438-A480 HydrophobicContact CZ-CB 4.15Å; F438-V527 HydrophobicContact CE1-CG2 4.12Å; F438-V527 HydrophobicContact CZ-CG2 4.16Å
439T71.6Confident73.9Confident57 Ų5777.7 Ų77.735%0.3541%0.414SS..EExtended strand (participates in β ladder)trans-79.6-31.6177.2-64.20000112.6L427 E429L427-T439 PolarHBondContact O-N 3.33Å; E429-T439 WeakPolarHBondContact CA-OG1 3.45Å; E429-T439 WeakPolarHBondContact CB-OG1 3.28Å; E429-T439 VanDerWaalsContact CG-OG1 3.24Å; E429-T439 WeakPolarHBondContact CG-OG1 3.18Å
440K76.4Confident72.9Confident76 Ų7674.3 Ų74.333%0.3340%0.402SS..EExtended strand (participates in β ladder)trans-133.6123.6-179.2-67-161.9170.8-159.50110.4L403 E404 L427 F442L403-K440 HydrophobicContact CD2-CD 4.47Å; E404-K440 IonicContact OE1-NZ 2.82Å; E404-K440 PolarHBondContact OE1-NZ 3.16Å; L427-K440 PolarHBondContact N-O 2.92Å; K440-F442 HydrophobicContact CB-CD2 4.38Å; K440-F442 HydrophobicContact CB-CE2 3.67Å; K440-F442 HydrophobicContact CB-CZ 4.12Å; K440-F442 HydrophobicContact CD-CE2 4.11Å; K440-F442 HydrophobicContact CD-CZ 3.77Å
441S79.1Confident71.5Confident46 Ų4675.1 Ų75.132%0.32242%0.421SS..EExtended strand (participates in β ladder)trans-105.8134.9165.4-174.80000108.8L426L426-S441 WeakPolarHBondContact CD2-OG 3.42Å
442F83.9Confident70.1Confident20 Ų2077.2 Ų77.29%0.08843%0.433CS..EExtended strand (participates in β ladder)trans-121.6138.8173-60.5-89000108.5E404 V407 M411 S424 V425 L427 K440E404-F442 HydrophobicContact CB-CE1 3.92Å; E404-F442 HydrophobicContact CG-CE1 3.8Å; E404-F442 HydrophobicContact CG-CZ 4.1Å; V407-F442 HydrophobicContact CB-CD1 4.43Å; V407-F442 HydrophobicContact CB-CD2 4.21Å; V407-F442 HydrophobicContact CB-CE2 4.36Å; V407-F442 HydrophobicContact CB-CG 4.22Å; V407-F442 HydrophobicContact CG1-CB 3.6Å; V407-F442 HydrophobicContact CG1-CD1 4.08Å; V407-F442 HydrophobicContact CG1-CD2 3.52Å; V407-F442 HydrophobicContact CG1-CE2 4.13Å; V407-F442 HydrophobicContact CG1-CG 3.46Å; V407-F442 VanDerWaalsContact CG1-CG 3.46Å; V407-F442 HydrophobicContact CG2-CD2 4.41Å; V407-F442 HydrophobicContact CG2-CE2 4.23Å; M411-F442 HydrophobicContact CE-CB 3.95Å; M411-F442 WeakPolarHBondContact CE-O 3.45Å; M411-F442 HydrophobicContact SD-CB 3.66Å; S424-F442 CarbonylContact C-O 3.5Å; S424-F442 WeakPolarHBondContact CA-O 3.21Å; V425-F442 HydrophobicContact CB-CB 4.48Å; V425-F442 PolarHBondContact N-O 3.05Å; V425-F442 PolarHBondContact O-N 3.41Å; L427-F442 HydrophobicContact CD1-CE2 3.89Å; L427-F442 HydrophobicContact CG-CE2 4.3Å; K440-F442 HydrophobicContact CB-CD2 4.38Å; K440-F442 HydrophobicContact CB-CE2 3.67Å; K440-F442 HydrophobicContact CB-CZ 4.12Å; K440-F442 HydrophobicContact CD-CE2 4.11Å; K440-F442 HydrophobicContact CD-CZ 3.77Å
443E79.9Confident68.7Low58 Ų5873.3 Ų73.327%0.27143%0.429SS..EExtended strand (participates in β ladder)trans-137.1144.4-179.8-174.5168.8-121.500113.1M411 R422 W469M411-E443 VanDerWaalsContact CE-N 3.28Å; R422-E443 HydrophobicContact CG-CG 4.38Å; R422-E443 IonicContact CZ-OE1 3.83Å; R422-E443 IonicContact CZ-OE2 3.11Å; R422-E443 IonicContact NE-OE1 2.74Å; R422-E443 PolarHBondContact NE-OE1 2.98Å; R422-E443 IonicContact NE-OE2 3.78Å; R422-E443 PolarHBondContact NE-OE2 3.43Å; R422-E443 IonicContact NH2-OE1 2.72Å; R422-E443 PolarHBondContact NH2-OE1 2.86Å; R422-E443 VanDerWaalsContact NH2-OE1 3.11Å; R422-E443 IonicContact NH2-OE2 3.91Å; R422-E443 PolarHBondContact NH2-OE2 3.14Å; E443-W469 HydrophobicContact CB-CH2 3.94Å; E443-W469 HydrophobicContact CB-CZ2 3.73Å; E443-W469 VanDerWaalsContact CD-CZ2 3.46Å; E443-W469 HydrophobicContact CG-CH2 4.09Å; E443-W469 HydrophobicContact CG-CZ2 4.19Å; E443-W469 WeakPolarHBondContact OE1-CH2 3.35Å; E443-W469 WeakPolarHBondContact OE1-CZ3 3.14Å; E443-W469 WeakPolarHBondContact OE2-CZ2 3.45Å
444L82.8Confident67.2Low50 Ų5080.1 Ų80.126%0.26246%0.457SS..EExtended strand (participates in β ladder)trans-138.1127.3176.7-175.668.2000110.5M411 H412 R422 C423M411-L444 HydrophobicContact CB-CB 4.07Å; M411-L444 HydrophobicContact CB-CD2 3.97Å; M411-L444 HydrophobicContact CE-CB 3.69Å; M411-L444 VanDerWaalsContact CE-N 3.27Å; H412-L444 VanDerWaalsContact CA-CD2 3.48Å; H412-L444 HydrophobicContact CB-CD2 3.87Å; R422-L444 WeakPolarHBondContact CA-O 3.43Å; C423-L444 PolarHBondContact N-O 3.08Å; C423-L444 PolarHBondContact O-N 2.97Å
445L81.3Confident65.8Low85 Ų8579.9 Ų79.945%0.44545%0.448SS..EExtended strand (participates in β ladder)trans-100.4147.3175.1-81.4155.7000110.9R422R422-L445 HydrophobicContact CB-CD2 4.48Å; R422-L445 HydrophobicContact CG-CD2 3.76Å; R422-L445 HydrophobicContact CG-CG 4.14Å
446S74.3Confident64.2Low7 Ų778.1 Ų78.15%0.04944%0.439CS..  trans-68.8132.6178.1-169.90000111.5Q415 E421 K448 C449Q415-S446 VanDerWaalsContact NE2-N 3.16Å; E421-S446 VanDerWaalsContact O-CB 3.28Å; E421-S446 WeakPolarHBondContact O-CB 3.44Å; E421-S446 PolarHBondContact O-N 3.5Å; S446-K448 PolarHBondContact O-N 3.22Å; S446-C449 PolarHBondContact O-N 3.12Å
447P65.6Low62.4Low86 Ų8684.9 Ų84.956%0.55847%0.465SS*.THydrogen-bonded Turntrans-57.5-22.4173.2-25.234.2000113.8C449 S450P447-C449 VanDerWaalsContact C-N 3.26Å; P447-C449 PolarHBondContact O-N 3.22Å; P447-S450 PolarHBondContact O-OG 2.94Å
448K60Low60.6Low176 Ų17687.2 Ų87.277%0.76548%0.476SS*.THydrogen-bonded Turntrans-73.9-15.6176.3-67.1-173.4175.8-174.20113.8S446S446-K448 PolarHBondContact O-N 3.22Å
449C53.2Low58.4Low65 Ų6593.5 Ų93.544%0.43951%0.505SS..THydrogen-bonded Turntrans-101.1-9.9179.5-600000112.5S446 P447S446-C449 PolarHBondContact O-N 3.12Å; P447-C449 VanDerWaalsContact C-N 3.26Å; P447-C449 PolarHBondContact O-N 3.22Å
450S51Low56.9Low44 Ų4495.6 Ų95.631%0.30852%0.522SS..  trans-92.2125.4172.756.20000111P447 D452P447-S450 PolarHBondContact O-OG 2.94Å; S450-D452 PolarHBondContact O-N 3.03Å
451A45.1Very low55.2Low103 Ų10397.6 Ų97.685%0.85153%0.534SS*.SBendtrans-66.8-21.5177.800000113.8
452D42.8Very low53.1Low123 Ų123103.5 Ų103.566%0.65856%0.557SS**  trans-113.194.7-177.1-65.4-59.5000111.9S450 E454 S456S450-D452 PolarHBondContact O-N 3.03Å; D452-E454 PolarHBondContact O-N 3.38Å; D452-S456 PolarHBondContact O-OG 3.16Å
453A42.8Very low51Low84 Ų84111.9 Ų111.969%0.69459%0.593SS**THydrogen-bonded Turntrans-79.2-5.5-169.600000116
454E41.2Very low49Very low186 Ų186114.9 Ų114.987%0.86962%0.62SS**THydrogen-bonded Turntrans-118.1-22.8-173.7-66-165.6146.600115.9D452D452-E454 PolarHBondContact O-N 3.38Å
455N38.3Very low46.6Very low129 Ų129116.6 Ų116.669%0.6964%0.637SS**THydrogen-bonded Turntrans-98.7-22.6-179.7-80.8-23.8000114.8F457 K458N455-F457 PolarHBondContact O-N 3.23Å; N455-F457 VanDerWaalsContact O-N 3.12Å; N455-K458 PolarHBondContact O-N 3.36Å
456S40.5Very low44.8Very low50 Ų50120.6 Ų120.635%0.3565%0.647SS.*Hα-helixtrans-66.9-15.6-172.455.10000115.2D452 K458 S460D452-S456 PolarHBondContact O-OG 3.16Å; S456-K458 PolarHBondContact O-N 2.65Å; S456-S460 PolarHBondContact O-N 2.77Å; S456-S460 PolarHBondContact O-OG 3.09Å
457F41.5Very low43.5Very low186 Ų186123.6 Ų123.682%0.81667%0.668SS**Hα-helixtrans-71.6-12.7179.8-146.7-89.4000114N455N455-F457 PolarHBondContact O-N 3.23Å; N455-F457 VanDerWaalsContact O-N 3.12Å
458K39.4Very low42.3Very low165 Ų165126.4 Ų126.472%0.71768%0.679SS**Hα-helixtrans-109.7-35.9175.3-85.3-178.2173.1178.50114.3N455 S456 M461N455-K458 PolarHBondContact O-N 3.36Å; S456-K458 PolarHBondContact O-N 2.65Å; K458-M461 WeakPolarHBondContact O-CB 3.42Å; K458-M461 PolarHBondContact O-N 3.3Å
459E35.7Very low41.7Very low167 Ų167123.4 Ų123.478%0.7866%0.663SS**Hα-helixtrans-79.7-20.3-175.9-78.2-176137.400114.4M461E459-M461 PolarHBondContact O-N 3.31Å
460S40.6Very low41.6Very low101 Ų101123.7 Ų123.771%0.70666%0.659SS**THydrogen-bonded Turntrans-68.62.4170.951.30000113.9S456S456-S460 PolarHBondContact O-N 2.77Å; S456-S460 PolarHBondContact O-OG 3.09Å
461M40.1Very low41.7Very low118 Ų118124.7 Ų124.758%0.58166%0.661SS**THydrogen-bonded Turntrans-101.4-13-163.6-159156.760.100115.6K458 E459K458-M461 WeakPolarHBondContact O-CB 3.42Å; K458-M461 PolarHBondContact O-N 3.3Å; E459-M461 PolarHBondContact O-N 3.31Å
462E35.5Very low42.5Very low170 Ų170120.9 Ų120.979%0.79463%0.626SS**SBendtrans-121.8-4.1-168.8-72.1-168.6157.900117.3S464E462-S464 VanDerWaalsContact C-N 3.34Å; E462-S464 PolarHBondContact O-N 3.15Å; E462-S464 VanDerWaalsContact O-N 3.12Å
463K39Very low43.9Very low197 Ų197116.2 Ų116.286%0.85760%0.601SS**  trans-86.972.8170-77.9-168177-176.10112.2S465K463-S465 PolarHBondContact O-N 3.35Å; K463-S465 VanDerWaalsContact O-N 3.12Å
464S38.3Very low45.7Very low120 Ų120114.4 Ų114.484%0.83958%0.583SS**  trans-74.625.3158.555.90000112.7E462E462-S464 VanDerWaalsContact C-N 3.34Å; E462-S464 PolarHBondContact O-N 3.15Å; E462-S464 VanDerWaalsContact O-N 3.12Å
465S33.4Very low47.9Very low87 Ų87105.6 Ų105.661%0.60854%0.542SS*.  trans-78.8126.5-177.4-166.10000110.6K463K463-S465 PolarHBondContact O-N 3.35Å; K463-S465 VanDerWaalsContact O-N 3.12Å
466Y43.6Very low50.2Low168 Ų16899.5 Ų99.566%0.65951%0.509SS*.  trans-52.3137.6154.8-93.5-118.3000109.4
467S45.6Very low52.5Low71 Ų71101.2 Ų101.250%0.49751%0.512SS..  trans68.5137.1179.1-17.60000112.6
468D40.3Very low54.7Low145 Ų14595 Ų9578%0.77549%0.487SS*.SBendcis-142.22.549.1-68.6-42.6000115.8
469W47.4Very low57.2Low112 Ų11287.2 Ų87.242%0.42445%0.453SS..SBendtrans-104.54.2-172.268.2-90.1000115.4E443 I471E443-W469 HydrophobicContact CB-CH2 3.94Å; E443-W469 HydrophobicContact CB-CZ2 3.73Å; E443-W469 VanDerWaalsContact CD-CZ2 3.46Å; E443-W469 HydrophobicContact CG-CH2 4.09Å; E443-W469 HydrophobicContact CG-CZ2 4.19Å; E443-W469 WeakPolarHBondContact OE1-CH2 3.35Å; E443-W469 WeakPolarHBondContact OE1-CZ3 3.14Å; E443-W469 WeakPolarHBondContact OE2-CZ2 3.45Å; W469-I471 PolarHBondContact O-N 2.99Å
470L52.1Low59.7Low71 Ų7179.7 Ų79.737%0.37242%0.42SS..  trans-6721.2-176.7-83.9156.8000115.5L426 N472L426-L470 HydrophobicContact CD2-CD2 4.4Å; L470-N472 VanDerWaalsContact C-N 3.27Å; L470-N472 PolarHBondContact O-N 2.93Å
471I52.3Low62Low66 Ų6678.7 Ų78.734%0.33841%0.413SS..THydrogen-bonded Turntrans-74.6-14.5-159.4-32-177.5000112.7W469 A501 I504W469-I471 PolarHBondContact O-N 2.99Å; I471-A501 HydrophobicContact CB-CB 3.75Å; I471-A501 HydrophobicContact CG2-CB 3.41Å; I471-A501 VanDerWaalsContact CG2-CB 3.41Å; I471-A501 VanDerWaalsContact O-CB 3.24Å; I471-A501 WeakPolarHBondContact O-CB 3.48Å; I471-I504 HydrophobicContact CD1-CB 3.96Å; I471-I504 HydrophobicContact CD1-CG2 3.73Å
472N62Low64.3Low23 Ų2376.5 Ų76.512%0.12341%0.406CS..THydrogen-bonded Turntrans-126.845.4-173.7-136.9-29000114.2L470 S474 F497 D498 A501L470-N472 VanDerWaalsContact C-N 3.27Å; L470-N472 PolarHBondContact O-N 2.93Å; N472-S474 VanDerWaalsContact C-N 3.27Å; N472-S474 PolarHBondContact O-N 3.12Å; N472-F497 WeakPolarHBondContact ND2-CE2 3.45Å; N472-F497 WeakPolarHBondContact ND2-CZ 3.24Å; N472-D498 PolarHBondContact ND2-O 2.96Å; N472-D498 PolarHBondContact OD1-N 3.06Å; N472-A501 HydrophobicContact CB-CB 4.34Å
473N72.3Confident66.9Low25 Ų2569 Ų6913%0.13437%0.374CS..THydrogen-bonded Turntrans-75.6-4.6177.7-89.83.7000114.6I475 A476 E477N473-I475 VanDerWaalsContact C-N 3.27Å; N473-I475 PolarHBondContact O-N 3.48Å; N473-I475 VanDerWaalsContact O-N 3.16Å; N473-A476 CarbonylContact O-C 3.34Å; N473-A476 WeakPolarHBondContact O-CA 3.21Å; N473-A476 WeakPolarHBondContact O-CB 3.4Å; N473-A476 PolarHBondContact O-N 2.97Å; N473-E477 HydrophobicContact CB-CG 4.35Å; N473-E477 WeakPolarHBondContact O-CG 3.05Å; N473-E477 PolarHBondContact O-N 2.96Å
474S80.3Confident69.5Low45 Ų4564.9 Ų64.932%0.31536%0.361SS..Hα-helixtrans-52.6-42.1-174.7600000113.4N472 L478 R496N472-S474 VanDerWaalsContact C-N 3.27Å; N472-S474 PolarHBondContact O-N 3.12Å; S474-L478 VanDerWaalsContact O-CB 3.32Å; S474-L478 WeakPolarHBondContact O-CB 3.46Å; S474-L478 PolarHBondContact O-N 3.34Å; S474-R496 WeakPolarHBondContact CB-O 3.48Å; S474-R496 PolarHBondContact OG-O 3.31Å
475I87.2Confident72.1Confident2 Ų261.2 Ų61.21%0.0133%0.334CS..Hα-helixtrans-68.7-42.7176.8-62.3164.6000110.7N473 L478 V479 V486 I488 F497 V512 C514N473-I475 VanDerWaalsContact C-N 3.27Å; N473-I475 PolarHBondContact O-N 3.48Å; N473-I475 VanDerWaalsContact O-N 3.16Å; I475-L478 PolarHBondContact O-N 3.37Å; I475-V479 HydrophobicContact CG2-CG2 4.47Å; I475-V479 WeakPolarHBondContact O-CB 3.15Å; I475-V479 VanDerWaalsContact O-CG2 3.28Å; I475-V479 WeakPolarHBondContact O-CG2 3.03Å; I475-V479 PolarHBondContact O-N 3.49Å; I475-V486 HydrophobicContact CG2-CB 4.34Å; I475-V486 HydrophobicContact CG2-CG1 4.04Å; I475-I488 HydrophobicContact CD1-CD1 3.52Å; I475-I488 HydrophobicContact CG1-CD1 4.12Å; I475-F497 HydrophobicContact CD1-CB 4.4Å; I475-F497 HydrophobicContact CD1-CD2 3.83Å; I475-V512 HydrophobicContact CD1-CB 4.39Å; I475-V512 HydrophobicContact CD1-CG1 4.09Å; I475-V512 HydrophobicContact CD1-CG2 4.2Å; I475-V512 HydrophobicContact CG2-CG1 4.28Å; I475-C514 HydrophobicContact CG2-CB 3.9Å
476A88.3Confident75Confident0 Ų057.6 Ų57.60%031%0.308CS..Hα-helixtrans-63.7-40.9178.400000112L426 F438 N473 V479 A480 V527L426-A476 HydrophobicContact CD1-CB 3.61Å; F438-A476 HydrophobicContact CE2-CB 4.37Å; F438-A476 HydrophobicContact CZ-CB 4.24Å; N473-A476 CarbonylContact O-C 3.34Å; N473-A476 WeakPolarHBondContact O-CA 3.21Å; N473-A476 WeakPolarHBondContact O-CB 3.4Å; N473-A476 PolarHBondContact O-N 2.97Å; A476-V479 PolarHBondContact O-N 3.05Å; A476-A480 VanDerWaalsContact O-CB 3.28Å; A476-A480 WeakPolarHBondContact O-CB 3.26Å; A476-A480 PolarHBondContact O-N 3.15Å; A476-V527 HydrophobicContact CB-CG2 3.74Å
477E86.9Confident77.4Confident87 Ų8751.4 Ų51.441%0.40729%0.287SS..Hα-helixtrans-69.3-38.6176.1-68.8172.9-165.300112V436 F438 N473 A480 S481V436-E477 HydrophobicContact CG1-CB 4.47Å; V436-E477 HydrophobicContact CG1-CG 4.13Å; F438-E477 HydrophobicContact CE2-CG 3.79Å; F438-E477 HydrophobicContact CZ-CG 4.36Å; N473-E477 HydrophobicContact CB-CG 4.35Å; N473-E477 WeakPolarHBondContact O-CG 3.05Å; N473-E477 PolarHBondContact O-N 2.96Å; E477-A480 PolarHBondContact O-N 3.02Å; E477-S481 WeakPolarHBondContact O-CB 3.48Å; E477-S481 PolarHBondContact O-N 2.68Å; E477-S481 PolarHBondContact O-OG 3.27Å
478L88.4Confident79.6Confident56 Ų5648.3 Ų48.329%0.29327%0.265SS..Hα-helixtrans-62.9-44.7172.8-178.666.4000111.6S474 I475 S481 T482S474-L478 VanDerWaalsContact O-CB 3.32Å; S474-L478 WeakPolarHBondContact O-CB 3.46Å; S474-L478 PolarHBondContact O-N 3.34Å; I475-L478 PolarHBondContact O-N 3.37Å; L478-S481 WeakPolarHBondContact CA-OG 3.28Å; L478-S481 PolarHBondContact O-N 3.22Å; L478-S481 PolarHBondContact O-OG 3.06Å; L478-S481 VanDerWaalsContact O-OG 3.14Å; L478-T482 HydrophobicContact CD1-CG2 3.77Å; L478-T482 HydrophobicContact CG-CG2 4.37Å; L478-T482 WeakPolarHBondContact O-CB 3.19Å; L478-T482 WeakPolarHBondContact O-CG2 3.35Å; L478-T482 PolarHBondContact O-N 3.07Å; L478-T482 PolarHBondContact O-OG1 3.49Å
479V91.6Very high81.8Confident0 Ų045.3 Ų45.30%026%0.255CS..Hα-helixtrans-66.6-40.1177.2172.50000111.1I475 A476 S481 G483 V486 C514 P516 V527I475-V479 HydrophobicContact CG2-CG2 4.47Å; I475-V479 WeakPolarHBondContact O-CB 3.15Å; I475-V479 VanDerWaalsContact O-CG2 3.28Å; I475-V479 WeakPolarHBondContact O-CG2 3.03Å; I475-V479 PolarHBondContact O-N 3.49Å; A476-V479 PolarHBondContact O-N 3.05Å; V479-S481 VanDerWaalsContact C-N 3.35Å; V479-S481 PolarHBondContact O-N 2.93Å; V479-G483 WeakPolarHBondContact O-CA 3.29Å; V479-G483 PolarHBondContact O-N 3.12Å; V479-V486 HydrophobicContact CG2-CB 3.9Å; V479-V486 HydrophobicContact CG2-CG2 3.66Å; V479-C514 HydrophobicContact CG2-CB 4.01Å; V479-P516 HydrophobicContact CG1-CB 3.95Å; V479-P516 HydrophobicContact CG1-CG 4.15Å; V479-V527 HydrophobicContact CB-CG1 4.16Å; V479-V527 HydrophobicContact CG1-CB 4.37Å; V479-V527 HydrophobicContact CG1-CG1 3.77Å
480A89.4Confident83.7Confident10 Ų1043 Ų438%0.08325%0.251CS..Hα-helixtrans-66-33.8177.100000113.3L428 V436 F438 A476 E477 I524 V527L428-A480 HydrophobicContact CD2-CB 4.46Å; V436-A480 HydrophobicContact CG1-CB 3.84Å; V436-A480 HydrophobicContact CG2-CB 4.21Å; F438-A480 HydrophobicContact CE1-CB 4.33Å; F438-A480 HydrophobicContact CZ-CB 4.15Å; A476-A480 VanDerWaalsContact O-CB 3.28Å; A476-A480 WeakPolarHBondContact O-CB 3.26Å; A476-A480 PolarHBondContact O-N 3.15Å; E477-A480 PolarHBondContact O-N 3.02Å; A480-I524 VanDerWaalsContact O-CD1 3.26Å; A480-I524 WeakPolarHBondContact O-CD1 3.47Å; A480-V527 HydrophobicContact CB-CG1 3.8Å
481S87.6Confident85.3Confident80 Ų8039.7 Ų39.756%0.55923%0.233SC*.Hα-helixtrans-86.8-31.6-179.853.90000114E477 L478 V479E477-S481 WeakPolarHBondContact O-CB 3.48Å; E477-S481 PolarHBondContact O-N 2.68Å; E477-S481 PolarHBondContact O-OG 3.27Å; L478-S481 WeakPolarHBondContact CA-OG 3.28Å; L478-S481 PolarHBondContact O-N 3.22Å; L478-S481 PolarHBondContact O-OG 3.06Å; L478-S481 VanDerWaalsContact O-OG 3.14Å; V479-S481 VanDerWaalsContact C-N 3.35Å; V479-S481 PolarHBondContact O-N 2.93Å
482T89.9Confident86.7Confident71 Ų7140.5 Ų40.544%0.43623%0.233SC..Hα-helixtrans-92.8-25.3-179.660.10000113.9L478 L484L478-T482 HydrophobicContact CD1-CG2 3.77Å; L478-T482 HydrophobicContact CG-CG2 4.37Å; L478-T482 WeakPolarHBondContact O-CB 3.19Å; L478-T482 WeakPolarHBondContact O-CG2 3.35Å; L478-T482 PolarHBondContact O-N 3.07Å; L478-T482 PolarHBondContact O-OG1 3.49Å; T482-L484 PolarHBondContact O-N 3.25Å; T482-L484 PolarHBondContact OG1-N 3.12Å
483G90.1Very high87.8Confident12 Ų1247 Ų4712%0.12426%0.262CS..  trans66.915.4-17100000114.1V479 W518V479-G483 WeakPolarHBondContact O-CA 3.29Å; V479-G483 PolarHBondContact O-N 3.12Å; G483-W518 WeakPolarHBondContact O-CZ2 3.28Å
484L92.2Very high88.3Confident112 Ų11247 Ų4759%0.58626%0.262SS*.  trans-106.8139.2179.4-64178.6000111.2T482T482-L484 PolarHBondContact O-N 3.25Å; T482-L484 PolarHBondContact OG1-N 3.12Å
485P93.8Very high88.4Confident42 Ų4251 Ų5127%0.27329%0.287SS..  trans-68.6145.7174.531-35.8000111C514 V515 E548P485-C514 WeakPolarHBondContact CA-O 3.44Å; P485-V515 HydrophobicContact CB-CG2 4.08Å; P485-E548 HydrophobicContact CB-CG 4.41Å; P485-E548 WeakPolarHBondContact CG-OE1 3.25Å
486V93.7Very high88.2Confident11 Ų1156 Ų567%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-126.4119179.8171.50000109.3I475 V479 I488 L513 C514I475-V486 HydrophobicContact CG2-CB 4.34Å; I475-V486 HydrophobicContact CG2-CG1 4.04Å; V479-V486 HydrophobicContact CG2-CB 3.9Å; V479-V486 HydrophobicContact CG2-CG2 3.66Å; V486-I488 HydrophobicContact CG1-CD1 3.9Å; V486-I488 HydrophobicContact CG1-CG1 3.71Å; V486-L513 WeakPolarHBondContact O-CA 3.41Å; V486-C514 PolarHBondContact N-O 3.06Å; V486-C514 PolarHBondContact O-N 3.45Å
487N93.8Very high87.9Confident39 Ų3956.8 Ų56.821%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-114.3125.5172-1758.1000108.9V512 L513 F539N487-V512 CarbonylContact C-O 3.57Å; N487-V512 WeakPolarHBondContact CA-O 3.48Å; N487-L513 HydrophobicContact CB-CD1 3.91Å; N487-F539 PolarHBondContact ND2-O 2.9Å
488I91.3Very high87.4Confident6 Ų656 Ų563%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-124.8116.9-176.8-53.3178.6000108.7I475 V486 D490 D494 S511 V512I475-I488 HydrophobicContact CD1-CD1 3.52Å; I475-I488 HydrophobicContact CG1-CD1 4.12Å; V486-I488 HydrophobicContact CG1-CD1 3.9Å; V486-I488 HydrophobicContact CG1-CG1 3.71Å; I488-D490 WeakPolarHBondContact CG2-O 3.28Å; I488-D494 HydrophobicContact CD1-CB 4.17Å; I488-D494 HydrophobicContact CG2-CB 3.77Å; I488-S511 VanDerWaalsContact O-CA 3.3Å; I488-S511 WeakPolarHBondContact O-CA 3.39Å; I488-S511 WeakPolarHBondContact O-CB 3.33Å; I488-V512 HydrophobicContact CB-CB 4.26Å; I488-V512 HydrophobicContact CD1-CB 4.42Å; I488-V512 PolarHBondContact N-O 3.44Å; I488-V512 PolarHBondContact O-N 2.95Å
489S88Confident86.5Confident82 Ų8254.9 Ų54.957%0.57331%0.307SS*.SBendtrans-75.3-34.4-177.2-47.30000113.7
490D86.5Confident85.3Confident64 Ų6462.3 Ų62.334%0.34234%0.342SS..  trans-139.7109175-176.6-20.6000108I488 Y492 Q493 R510I488-D490 WeakPolarHBondContact CG2-O 3.28Å; D490-Y492 VanDerWaalsContact C-N 3.32Å; D490-Y492 PolarHBondContact O-N 3.38Å; D490-Y492 PolarHBondContact OD1-N 3.26Å; D490-Q493 HydrophobicContact CB-CB 4.33Å; D490-Q493 HydrophobicContact CB-CG 4.3Å; D490-Q493 PolarHBondContact O-N 3.3Å; D490-Q493 PolarHBondContact OD2-NE2 2.63Å; D490-R510 CarbonylContact C-O 3.53Å; D490-R510 VanDerWaalsContact CA-O 3.26Å; D490-R510 WeakPolarHBondContact CA-O 3.28Å
491A84.9Confident84.2Confident0 Ų062 Ų620%034%0.339CS..G310 helixtrans-63.6-36.4-175.500000112.8Q493 D494 F497 I509 R510 V512A491-Q493 PolarHBondContact O-N 3.41Å; A491-D494 PolarHBondContact O-N 3Å; A491-D494 VanDerWaalsContact O-N 3.16Å; A491-F497 HydrophobicContact CB-CD1 3.9Å; A491-F497 HydrophobicContact CB-CD2 4.02Å; A491-F497 HydrophobicContact CB-CE1 3.89Å; A491-F497 HydrophobicContact CB-CE2 3.99Å; A491-F497 HydrophobicContact CB-CG 3.96Å; A491-F497 HydrophobicContact CB-CZ 3.94Å; A491-F497 VanDerWaalsContact O-CB 3.28Å; A491-F497 WeakPolarHBondContact O-CB 3.47Å; A491-F497 WeakPolarHBondContact O-CD1 3.32Å; A491-F497 WeakPolarHBondContact O-CG 3.38Å; A491-I509 HydrophobicContact CB-CG2 3.91Å; A491-I509 WeakPolarHBondContact CB-O 3.39Å; A491-R510 PolarHBondContact N-O 3.48Å; A491-V512 HydrophobicContact CB-CG2 4.32Å
492Y82.8Confident83.3Confident83 Ų8358.4 Ų58.433%0.32531%0.314SS..G310 helixtrans-76.6-11.1-176-80.5-107.2000113.2D490 F497 A499 D502 H508 I509D490-Y492 VanDerWaalsContact C-N 3.32Å; D490-Y492 PolarHBondContact O-N 3.38Å; D490-Y492 PolarHBondContact OD1-N 3.26Å; Y492-F497 HydrophobicContact CD2-CE1 4.01Å; Y492-F497 AromaticContact CE2-CE1 3.91Å; Y492-F497 HydrophobicContact CE2-CE1 3.91Å; Y492-F497 HydrophobicContact CE2-CZ 4.48Å; Y492-A499 HydrophobicContact CD1-CB 3.82Å; Y492-A499 HydrophobicContact CE1-CB 3.91Å; Y492-D502 PolarHBondContact OH-OD2 2.78Å; Y492-H508 AromaticContact CD2-CE1 3.68Å; Y492-H508 AromaticContact CE2-CE1 3.16Å; Y492-H508 WeakPolarHBondContact CE2-CE1 3.27Å; Y492-H508 AromaticContact CE2-ND1 3.25Å; Y492-H508 VanDerWaalsContact CE2-ND1 3.25Å; Y492-H508 WeakPolarHBondContact CE2-ND1 3.33Å; Y492-H508 AromaticContact CZ-CE1 3.58Å; Y492-H508 AromaticContact CZ-ND1 3.49Å; Y492-H508 PolarHBondContact OH-ND1 2.81Å; Y492-I509 WeakPolarHBondContact CE2-O 3.17Å
493Q84.6Confident81.9Confident159 Ų15961.7 Ų61.774%0.74332%0.324SS*.G310 helixtrans-94.5-9.3171.4-65.4-173.347.500113.3D490 A491D490-Q493 HydrophobicContact CB-CB 4.33Å; D490-Q493 HydrophobicContact CB-CG 4.3Å; D490-Q493 PolarHBondContact O-N 3.3Å; D490-Q493 PolarHBondContact OD2-NE2 2.63Å; A491-Q493 PolarHBondContact O-N 3.41Å
494D84.2Confident80.3Confident25 Ų2567.2 Ų67.213%0.13435%0.35CS..  trans-89.7119.9-178.7-162.1-58.6000111.3I488 A491 R496 F497I488-D494 HydrophobicContact CD1-CB 4.17Å; I488-D494 HydrophobicContact CG2-CB 3.77Å; A491-D494 PolarHBondContact O-N 3Å; A491-D494 VanDerWaalsContact O-N 3.16Å; D494-R496 PolarHBondContact O-N 3.33Å; D494-R496 WeakPolarHBondContact OD1-CB 3.38Å; D494-R496 WeakPolarHBondContact OD1-CG 3.39Å; D494-R496 IonicContact OD1-CZ 2.76Å; D494-R496 PolarHBondContact OD1-N 2.86Å; D494-R496 IonicContact OD1-NE 3.97Å; D494-R496 PolarHBondContact OD1-NE 3.42Å; D494-R496 IonicContact OD1-NH2 3.85Å; D494-R496 IonicContact OD2-CZ 3.38Å; D494-R496 IonicContact OD2-NE 3.83Å; D494-R496 PolarHBondContact OD2-NE 3.19Å; D494-R496 IonicContact OD2-NH2 2.68Å; D494-R496 PolarHBondContact OD2-NH2 3.32Å; D494-F497 HydrophobicContact CB-CB 4.39Å; D494-F497 PolarHBondContact O-N 2.81Å
495P81.4Confident78.9Confident129 Ų12964.4 Ų64.484%0.83834%0.339SS*.THydrogen-bonded Turntrans-68.3-4.6-177.330-37000114.1
496R82.9Confident77.4Confident108 Ų10866.2 Ų66.241%0.40837%0.365SS..THydrogen-bonded Turntrans-93.4-12.3176.2-54.7168.5-71177.6-0.6112.5S474 D494S474-R496 WeakPolarHBondContact CB-O 3.48Å; S474-R496 PolarHBondContact OG-O 3.31Å; D494-R496 PolarHBondContact O-N 3.33Å; D494-R496 WeakPolarHBondContact OD1-CB 3.38Å; D494-R496 WeakPolarHBondContact OD1-CG 3.39Å; D494-R496 IonicContact OD1-CZ 2.76Å; D494-R496 PolarHBondContact OD1-N 2.86Å; D494-R496 IonicContact OD1-NE 3.97Å; D494-R496 PolarHBondContact OD1-NE 3.42Å; D494-R496 IonicContact OD1-NH2 3.85Å; D494-R496 IonicContact OD2-CZ 3.38Å; D494-R496 IonicContact OD2-NE 3.83Å; D494-R496 PolarHBondContact OD2-NE 3.19Å; D494-R496 IonicContact OD2-NH2 2.68Å; D494-R496 PolarHBondContact OD2-NH2 3.32Å
497F81.3Confident76.4Confident16 Ų1667.3 Ų67.37%0.0737%0.369CS..SBendtrans-91.2131.5179179.9-103.5000110.4N472 I475 A491 Y492 D494 A499 D502 I509N472-F497 WeakPolarHBondContact ND2-CE2 3.45Å; N472-F497 WeakPolarHBondContact ND2-CZ 3.24Å; I475-F497 HydrophobicContact CD1-CB 4.4Å; I475-F497 HydrophobicContact CD1-CD2 3.83Å; A491-F497 HydrophobicContact CB-CD1 3.9Å; A491-F497 HydrophobicContact CB-CD2 4.02Å; A491-F497 HydrophobicContact CB-CE1 3.89Å; A491-F497 HydrophobicContact CB-CE2 3.99Å; A491-F497 HydrophobicContact CB-CG 3.96Å; A491-F497 HydrophobicContact CB-CZ 3.94Å; A491-F497 VanDerWaalsContact O-CB 3.28Å; A491-F497 WeakPolarHBondContact O-CB 3.47Å; A491-F497 WeakPolarHBondContact O-CD1 3.32Å; A491-F497 WeakPolarHBondContact O-CG 3.38Å; Y492-F497 HydrophobicContact CD2-CE1 4.01Å; Y492-F497 AromaticContact CE2-CE1 3.91Å; Y492-F497 HydrophobicContact CE2-CE1 3.91Å; Y492-F497 HydrophobicContact CE2-CZ 4.48Å; D494-F497 HydrophobicContact CB-CB 4.39Å; D494-F497 PolarHBondContact O-N 2.81Å; F497-A499 HydrophobicContact CD1-CB 4.41Å; F497-A499 PolarHBondContact O-N 3.34Å; F497-D502 HydrophobicContact CE1-CB 4.06Å; F497-D502 HydrophobicContact CZ-CB 3.79Å; F497-I509 HydrophobicContact CE2-CB 4.07Å; F497-I509 HydrophobicContact CE2-CD1 3.96Å; F497-I509 HydrophobicContact CE2-CG2 3.94Å; F497-I509 HydrophobicContact CZ-CB 3.81Å; F497-I509 HydrophobicContact CZ-CD1 4.18Å; F497-I509 HydrophobicContact CZ-CG2 4.12Å
498D76.4Confident75.9Confident72 Ų7270.3 Ų70.339%0.38538%0.382SS..  trans-83.298.9176.3-171.7-25.1000110N472 E500 A501 D502N472-D498 PolarHBondContact ND2-O 2.96Å; N472-D498 PolarHBondContact OD1-N 3.06Å; D498-E500 VanDerWaalsContact C-N 3.28Å; D498-E500 PolarHBondContact O-N 3.48Å; D498-E500 PolarHBondContact OD1-N 3.22Å; D498-A501 HydrophobicContact CB-CB 3.71Å; D498-A501 VanDerWaalsContact CG-CB 3.41Å; D498-A501 PolarHBondContact OD1-N 2.95Å; D498-D502 PolarHBondContact O-N 3.43Å
499A71.4Confident75.5Confident32 Ų3270.6 Ų70.626%0.26438%0.384SS..Hα-helixtrans-73.9-15.7-179.800000113.8Y492 F497 Q503Y492-A499 HydrophobicContact CD1-CB 3.82Å; Y492-A499 HydrophobicContact CE1-CB 3.91Å; F497-A499 HydrophobicContact CD1-CB 4.41Å; F497-A499 PolarHBondContact O-N 3.34Å; A499-Q503 WeakPolarHBondContact O-CG 3.33Å; A499-Q503 PolarHBondContact O-NE2 2.91Å
500E66.2Low75.5Confident155 Ų15570.6 Ų70.672%0.72437%0.371SS*.Hα-helixtrans-81.2-40.1175.2-60.8-170.1175.200110.1D498 D502 Q503D498-E500 VanDerWaalsContact C-N 3.28Å; D498-E500 PolarHBondContact O-N 3.48Å; D498-E500 PolarHBondContact OD1-N 3.22Å; E500-D502 VanDerWaalsContact C-N 3.35Å; E500-D502 PolarHBondContact O-N 3.34Å; E500-Q503 PolarHBondContact O-N 3.01Å
501A65.3Low75.7Confident4 Ų467.8 Ų67.83%0.03336%0.356CS..Hα-helixtrans-56.6-42172.600000113.7I471 N472 D498 Q503 I504I471-A501 HydrophobicContact CB-CB 3.75Å; I471-A501 HydrophobicContact CG2-CB 3.41Å; I471-A501 VanDerWaalsContact CG2-CB 3.41Å; I471-A501 VanDerWaalsContact O-CB 3.24Å; I471-A501 WeakPolarHBondContact O-CB 3.48Å; N472-A501 HydrophobicContact CB-CB 4.34Å; D498-A501 HydrophobicContact CB-CB 3.71Å; D498-A501 VanDerWaalsContact CG-CB 3.41Å; D498-A501 PolarHBondContact OD1-N 2.95Å; A501-Q503 PolarHBondContact O-N 3.49Å; A501-I504 PolarHBondContact O-N 3.38Å
502D68.6Low76Confident5 Ų567.8 Ų67.83%0.02736%0.356CS..Hα-helixtrans-65.1-39.3-176.5-158.354.7000112.5Y492 F497 D498 E500 I504 S505 H508 I509Y492-D502 PolarHBondContact OH-OD2 2.78Å; F497-D502 HydrophobicContact CE1-CB 4.06Å; F497-D502 HydrophobicContact CZ-CB 3.79Å; D498-D502 PolarHBondContact O-N 3.43Å; E500-D502 VanDerWaalsContact C-N 3.35Å; E500-D502 PolarHBondContact O-N 3.34Å; D502-I504 PolarHBondContact O-N 2.95Å; D502-S505 WeakPolarHBondContact O-CB 3.41Å; D502-S505 PolarHBondContact O-N 3.29Å; D502-S505 PolarHBondContact O-OG 2.98Å; D502-H508 WeakPolarHBondContact OD2-CA 3.44Å; D502-H508 IonicContact OD2-ND1 2.71Å; D502-I509 WeakPolarHBondContact OD1-CD1 3.38Å; D502-I509 WeakPolarHBondContact OD1-CG1 3.48Å; D502-I509 PolarHBondContact OD2-N 3.39Å
503Q60.3Low76.5Confident139 Ų13963.9 Ų63.965%0.6534%0.341SS*.Hα-helixtrans-64-26.1-177.7-69.2172.748.100113.1A499 E500 A501A499-Q503 WeakPolarHBondContact O-CG 3.33Å; A499-Q503 PolarHBondContact O-NE2 2.91Å; E500-Q503 PolarHBondContact O-N 3.01Å; A501-Q503 PolarHBondContact O-N 3.49Å
504I57.1Low76.9Confident129 Ų12956.3 Ų56.366%0.66231%0.305SS*.Hα-helixtrans-76.2-26.3177-59.6167.2000111I471 A501 D502I471-I504 HydrophobicContact CD1-CB 3.96Å; I471-I504 HydrophobicContact CD1-CG2 3.73Å; A501-I504 PolarHBondContact O-N 3.38Å; D502-I504 PolarHBondContact O-N 2.95Å
505S62Low77.4Confident52 Ų5255.3 Ų55.336%0.36430%0.3SS..Hα-helixtrans-79.5-20.3-171.483.60000114.9D502 F507D502-S505 WeakPolarHBondContact O-CB 3.41Å; D502-S505 PolarHBondContact O-N 3.29Å; D502-S505 PolarHBondContact O-OG 2.98Å; S505-F507 PolarHBondContact O-N 2.92Å; S505-F507 PolarHBondContact OG-N 3.36Å; S505-F507 VanDerWaalsContact OG-N 3.13Å; S505-F507 PolarHBondContact OG-O 2.98Å
506G63.1Low78.1Confident80 Ų8049.4 Ų49.483%0.82526%0.262SS*.THydrogen-bonded Turntrans70.92.7-173.300000115.3
507F73.6Confident78.6Confident34 Ų3444.4 Ų44.415%0.14924%0.243CC..  trans-117.2115.5175.3177.2-94.9000109.5E421 R422 S505 I509 L531 N532E421-F507 HydrophobicContact CB-CE2 4.37Å; E421-F507 HydrophobicContact CB-CZ 4.1Å; R422-F507 HydrophobicContact CB-CZ 4.23Å; R422-F507 VanDerWaalsContact NH1-CG 3.28Å; S505-F507 PolarHBondContact O-N 2.92Å; S505-F507 PolarHBondContact OG-N 3.36Å; S505-F507 VanDerWaalsContact OG-N 3.13Å; S505-F507 PolarHBondContact OG-O 2.98Å; F507-I509 HydrophobicContact CD1-CG1 3.87Å; F507-I509 HydrophobicContact CE1-CG1 3.94Å; F507-I509 PolarHBondContact O-N 3.32Å; F507-L531 HydrophobicContact CE1-CB 4.31Å; F507-L531 HydrophobicContact CE1-CD1 4.24Å; F507-N532 WeakPolarHBondContact CZ-ND2 3.2Å
508H81.4Confident79Confident102 Ų10247.6 Ų47.647%0.47226%0.255SS..  trans-82.7111.1-175.5-178.753.6000111.8Y492 D502 R510 N532Y492-H508 AromaticContact CD2-CE1 3.68Å; Y492-H508 AromaticContact CE2-CE1 3.16Å; Y492-H508 WeakPolarHBondContact CE2-CE1 3.27Å; Y492-H508 AromaticContact CE2-ND1 3.25Å; Y492-H508 VanDerWaalsContact CE2-ND1 3.25Å; Y492-H508 WeakPolarHBondContact CE2-ND1 3.33Å; Y492-H508 AromaticContact CZ-CE1 3.58Å; Y492-H508 AromaticContact CZ-ND1 3.49Å; Y492-H508 PolarHBondContact OH-ND1 2.81Å; D502-H508 WeakPolarHBondContact OD2-CA 3.44Å; D502-H508 IonicContact OD2-ND1 2.71Å; H508-R510 PolarHBondContact O-N 3.41Å; H508-N532 PolarHBondContact O-ND2 3.22Å
509I84.5Confident79.5Confident13 Ų1344.8 Ų44.87%0.06724%0.24CC..  trans-81117.7176.4-61.5173.8000109.1A491 Y492 F497 D502 F507 V512 L531A491-I509 HydrophobicContact CB-CG2 3.91Å; A491-I509 WeakPolarHBondContact CB-O 3.39Å; Y492-I509 WeakPolarHBondContact CE2-O 3.17Å; F497-I509 HydrophobicContact CE2-CB 4.07Å; F497-I509 HydrophobicContact CE2-CD1 3.96Å; F497-I509 HydrophobicContact CE2-CG2 3.94Å; F497-I509 HydrophobicContact CZ-CB 3.81Å; F497-I509 HydrophobicContact CZ-CD1 4.18Å; F497-I509 HydrophobicContact CZ-CG2 4.12Å; D502-I509 WeakPolarHBondContact OD1-CD1 3.38Å; D502-I509 WeakPolarHBondContact OD1-CG1 3.48Å; D502-I509 PolarHBondContact OD2-N 3.39Å; F507-I509 HydrophobicContact CD1-CG1 3.87Å; F507-I509 HydrophobicContact CE1-CG1 3.94Å; F507-I509 PolarHBondContact O-N 3.32Å; I509-V512 HydrophobicContact CG2-CG2 3.42Å; I509-V512 VanDerWaalsContact CG2-CG2 3.42Å; I509-L531 HydrophobicContact CD1-CD1 3.92Å; I509-L531 HydrophobicContact CD1-CD2 4.41Å; I509-L531 HydrophobicContact CG1-CD1 4.17Å; I509-L531 HydrophobicContact CG2-CD2 4.23Å
510R87.5Confident80.1Confident82 Ų8246.4 Ų46.431%0.30925%0.249SC..  trans-100.5-46.3178.6-54.7-174.8-57.6-80.97.2111.1E421 D490 A491 H508 N532E421-R510 IonicContact OE1-CZ 2.82Å; E421-R510 IonicContact OE1-NH1 3.67Å; E421-R510 PolarHBondContact OE1-NH1 3.11Å; E421-R510 IonicContact OE1-NH2 3.44Å; E421-R510 PolarHBondContact OE1-NH2 2.91Å; E421-R510 IonicContact OE2-NH1 3.67Å; E421-R510 PolarHBondContact OE2-NH1 3.18Å; E421-R510 IonicContact OE2-NH2 2.67Å; D490-R510 CarbonylContact C-O 3.53Å; D490-R510 VanDerWaalsContact CA-O 3.26Å; D490-R510 WeakPolarHBondContact CA-O 3.28Å; A491-R510 PolarHBondContact N-O 3.48Å; H508-R510 PolarHBondContact O-N 3.41Å; R510-N532 WeakPolarHBondContact CA-OD1 3.39Å; R510-N532 WeakPolarHBondContact CB-OD1 3.46Å; R510-N532 PolarHBondContact N-OD1 2.67Å; R510-N532 PolarHBondContact NH1-ND2 3.38Å; R510-N532 VanDerWaalsContact NH1-ND2 3.14Å
511S89.8Confident81Confident4 Ų444.2 Ų44.23%0.02824%0.242CC..  trans-137144.3178.959.40000112I488 L531 N532I488-S511 VanDerWaalsContact O-CA 3.3Å; I488-S511 WeakPolarHBondContact O-CA 3.39Å; I488-S511 WeakPolarHBondContact O-CB 3.33Å; S511-L531 WeakPolarHBondContact O-CA 3.37Å; S511-N532 PolarHBondContact N-OD1 3.45Å; S511-N532 VanDerWaalsContact N-OD1 3.1Å; S511-N532 PolarHBondContact O-N 3.48Å
512V91.1Very high82Confident1 Ų151.5 Ų51.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-129.6130.6-175.4-175.20000109.5I475 N487 I488 A491 I509 Q529 L531I475-V512 HydrophobicContact CD1-CB 4.39Å; I475-V512 HydrophobicContact CD1-CG1 4.09Å; I475-V512 HydrophobicContact CD1-CG2 4.2Å; I475-V512 HydrophobicContact CG2-CG1 4.28Å; N487-V512 CarbonylContact C-O 3.57Å; N487-V512 WeakPolarHBondContact CA-O 3.48Å; I488-V512 HydrophobicContact CB-CB 4.26Å; I488-V512 HydrophobicContact CD1-CB 4.42Å; I488-V512 PolarHBondContact N-O 3.44Å; I488-V512 PolarHBondContact O-N 2.95Å; A491-V512 HydrophobicContact CB-CG2 4.32Å; I509-V512 HydrophobicContact CG2-CG2 3.42Å; I509-V512 VanDerWaalsContact CG2-CG2 3.42Å; V512-Q529 HydrophobicContact CG1-CG 4.11Å; V512-L531 HydrophobicContact CB-CD2 4.26Å; V512-L531 HydrophobicContact CG1-CD2 3.91Å; V512-L531 HydrophobicContact CG2-CD2 3.88Å
513L93.9Very high83Confident0 Ų054.7 Ų54.70%029%0.29CS..EExtended strand (participates in β ladder)trans-125.4118.4166.2171.366.2000108.5V486 N487 V515 Q529 V530 F539 Q544 F547V486-L513 WeakPolarHBondContact O-CA 3.41Å; N487-L513 HydrophobicContact CB-CD1 3.91Å; L513-V515 HydrophobicContact CD1-CG2 4.41Å; L513-Q529 WeakPolarHBondContact O-CA 3.42Å; L513-V530 HydrophobicContact CB-CG2 3.78Å; L513-V530 HydrophobicContact CD2-CG2 4.08Å; L513-V530 HydrophobicContact CG-CG2 4.16Å; L513-V530 PolarHBondContact N-O 2.83Å; L513-V530 PolarHBondContact O-N 2.74Å; L513-F539 HydrophobicContact CB-CB 4.4Å; L513-F539 HydrophobicContact CB-CD2 3.69Å; L513-F539 HydrophobicContact CB-CE2 4.11Å; L513-F539 HydrophobicContact CB-CG 4.05Å; L513-F539 HydrophobicContact CD2-CB 4.38Å; L513-F539 HydrophobicContact CD2-CD1 4.48Å; L513-F539 HydrophobicContact CD2-CG 4.31Å; L513-Q544 HydrophobicContact CD1-CB 3.98Å; L513-Q544 HydrophobicContact CD1-CG 4.05Å; L513-F547 HydrophobicContact CD2-CB 3.94Å; L513-F547 HydrophobicContact CD2-CD1 3.77Å; L513-F547 HydrophobicContact CD2-CG 4.22Å; L513-F547 HydrophobicContact CG-CD1 3.77Å; L513-F547 HydrophobicContact CG-CE1 4.37Å
514C93.7Very high84.4Confident0 Ų049.4 Ų49.40%027%0.266CS..EExtended strand (participates in β ladder)trans-128.9134.4-177.1-170.50000111I475 V479 P485 V486 A528 Q529I475-C514 HydrophobicContact CG2-CB 3.9Å; V479-C514 HydrophobicContact CG2-CB 4.01Å; P485-C514 WeakPolarHBondContact CA-O 3.44Å; V486-C514 PolarHBondContact N-O 3.06Å; V486-C514 PolarHBondContact O-N 3.45Å; C514-A528 CarbonylContact C-O 3.55Å; C514-A528 WeakPolarHBondContact CA-O 3.38Å; C514-Q529 HydrophobicContact CB-CB 4.27Å; C514-Q529 HydrophobicContact CB-CG 4.22Å
515V95.1Very high86Confident5 Ų543.7 Ų43.73%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-138.3137.5-170173.30000109.8P485 L513 A528 F547 E548 V551P485-V515 HydrophobicContact CB-CG2 4.08Å; L513-V515 HydrophobicContact CD1-CG2 4.41Å; V515-A528 PolarHBondContact N-O 3.31Å; V515-A528 PolarHBondContact O-N 3.37Å; V515-F547 HydrophobicContact CB-CD1 3.93Å; V515-F547 HydrophobicContact CB-CE1 3.98Å; V515-F547 HydrophobicContact CG2-CD1 3.37Å; V515-F547 HydrophobicContact CG2-CE1 3.86Å; V515-F547 HydrophobicContact CG2-CG 4.23Å; V515-E548 HydrophobicContact CG1-CG 4.05Å; V515-E548 HydrophobicContact CG2-CG 4.13Å; V515-V551 HydrophobicContact CB-CG2 4.28Å; V515-V551 HydrophobicContact CG1-CB 3.89Å; V515-V551 HydrophobicContact CG1-CG1 3.9Å; V515-V551 HydrophobicContact CG1-CG2 4Å
516P94.6Very high87.4Confident5 Ų541.2 Ų41.23%0.03222%0.22CC..EExtended strand (participates in β ladder)trans-74.7140.3178.628.8-30.7000112.3V479 W518 I524 V551V479-P516 HydrophobicContact CG1-CB 3.95Å; V479-P516 HydrophobicContact CG1-CG 4.15Å; P516-W518 HydrophobicContact CB-CZ2 4.31Å; P516-W518 HydrophobicContact CG-CZ2 3.99Å; P516-I524 HydrophobicContact CB-CD1 4.41Å; P516-I524 HydrophobicContact CB-CG1 4.46Å; P516-I524 HydrophobicContact CB-CG2 4.37Å; P516-V551 VanDerWaalsContact O-CG1 3.24Å; P516-V551 WeakPolarHBondContact O-CG1 3.28Å
517I93.2Very high88.8Confident2 Ų237.4 Ų37.41%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-95.3120.5176.4-51.6172.6000108.4V425 L427 I524 I525 G526 A528 V551 I558V425-I517 HydrophobicContact CG1-CD1 3.82Å; L427-I517 HydrophobicContact CD2-CD1 4.46Å; I517-I524 WeakPolarHBondContact O-CA 3.44Å; I517-I525 HydrophobicContact CB-CG1 4.2Å; I517-I525 HydrophobicContact CG2-CD1 4.02Å; I517-I525 HydrophobicContact CG2-CG1 3.76Å; I517-I525 WeakPolarHBondContact O-CG1 3.24Å; I517-I525 PolarHBondContact O-N 2.76Å; I517-G526 WeakPolarHBondContact CB-O 3.46Å; I517-G526 PolarHBondContact N-O 3.28Å; I517-A528 HydrophobicContact CD1-CB 4.13Å; I517-A528 HydrophobicContact CG1-CB 4.1Å; I517-V551 HydrophobicContact CB-CG1 4.22Å; I517-V551 HydrophobicContact CG1-CG1 3.83Å; I517-I558 HydrophobicContact CD1-CD1 4.32Å; I517-I558 HydrophobicContact CG2-CD1 4.34Å
518W90.1Very high89.7Confident84 Ų8436 Ų3632%0.31818%0.175SC..EExtended strand (participates in β ladder)trans-104.8145.6-177.3-56.589.6000112.3G483 P516 H522 Q523 I524 G555G483-W518 WeakPolarHBondContact O-CZ2 3.28Å; P516-W518 HydrophobicContact CB-CZ2 4.31Å; P516-W518 HydrophobicContact CG-CZ2 3.99Å; W518-H522 VanDerWaalsContact CZ3-O 3.3Å; W518-H522 WeakPolarHBondContact CZ3-O 3.48Å; W518-Q523 CarbonylContact C-O 3.56Å; W518-Q523 WeakPolarHBondContact CA-O 3.27Å; W518-I524 HydrophobicContact CD2-CG1 4.19Å; W518-I524 HydrophobicContact CE3-CG1 3.72Å; W518-I524 HydrophobicContact CH2-CD1 3.89Å; W518-I524 HydrophobicContact CH2-CG1 3.66Å; W518-I524 HydrophobicContact CZ2-CD1 4.34Å; W518-I524 HydrophobicContact CZ2-CG1 4.11Å; W518-I524 HydrophobicContact CZ3-CD1 4.14Å; W518-I524 HydrophobicContact CZ3-CG1 3.44Å; W518-I524 VanDerWaalsContact CZ3-CG1 3.44Å; W518-G555 CarbonylContact O-C 3.11Å; W518-G555 VanDerWaalsContact O-CA 3.28Å; W518-G555 WeakPolarHBondContact O-CA 3.39Å
519N88.1Confident90.2Very high12 Ų1231.9 Ų31.96%0.06416%0.156CC..  trans-85.9178.4164.971.710.3000112.2N521 H522 Q523 I525 N559N519-N521 PolarHBondContact O-N 3.12Å; N519-N521 VanDerWaalsContact O-N 3.11Å; N519-N521 WeakPolarHBondContact OD1-CA 3.43Å; N519-N521 WeakPolarHBondContact OD1-CB 3.42Å; N519-N521 PolarHBondContact OD1-N 3.41Å; N519-H522 PolarHBondContact O-N 3.01Å; N519-H522 PolarHBondContact OD1-N 3.5Å; N519-Q523 PolarHBondContact N-O 2.76Å; N519-Q523 PolarHBondContact ND2-OE1 2.9Å; N519-Q523 PolarHBondContact OD1-N 2.97Å; N519-Q523 PolarHBondContact OD1-O 3.15Å; N519-I525 HydrophobicContact CB-CD1 4.42Å; N519-I525 HydrophobicContact CB-CG2 3.75Å; N519-N559 HydrophobicContact CB-CB 4.18Å
520S82.3Confident90.5Very high66 Ų6631.3 Ų31.346%0.46215%0.153SC..THydrogen-bonded Turntrans-60.9-16175.954.20000114.8
521N86.3Confident90.7Very high109 Ų10927.8 Ų27.858%0.58314%0.14SC*.THydrogen-bonded Turntrans-102.312.2-176.1-55.2-4.7000111.5N519 Q523N519-N521 PolarHBondContact O-N 3.12Å; N519-N521 VanDerWaalsContact O-N 3.11Å; N519-N521 WeakPolarHBondContact OD1-CA 3.43Å; N519-N521 WeakPolarHBondContact OD1-CB 3.42Å; N519-N521 PolarHBondContact OD1-N 3.41Å; N521-Q523 VanDerWaalsContact C-N 3.25Å; N521-Q523 HydrophobicContact CB-CG 4.41Å; N521-Q523 PolarHBondContact O-N 3.31Å
522H85.5Confident90.6Very high158 Ų15827.6 Ų27.673%0.73114%0.139SC*.SBendtrans57.932-175.3-57.4-78.3000114.3W518 N519W518-H522 VanDerWaalsContact CZ3-O 3.3Å; W518-H522 WeakPolarHBondContact CZ3-O 3.48Å; N519-H522 PolarHBondContact O-N 3.01Å; N519-H522 PolarHBondContact OD1-N 3.5Å
523Q89.2Confident90.6Very high72 Ų7229.2 Ų29.234%0.33615%0.145SC..  trans-100.5144.4168.6-54.3166.6-67.300109.8I431 W518 N519 N521I431-Q523 HydrophobicContact CG2-CB 3.64Å; I431-Q523 HydrophobicContact CG2-CG 4.23Å; W518-Q523 CarbonylContact C-O 3.56Å; W518-Q523 WeakPolarHBondContact CA-O 3.27Å; N519-Q523 PolarHBondContact N-O 2.76Å; N519-Q523 PolarHBondContact ND2-OE1 2.9Å; N519-Q523 PolarHBondContact OD1-N 2.97Å; N519-Q523 PolarHBondContact OD1-O 3.15Å; N521-Q523 VanDerWaalsContact C-N 3.25Å; N521-Q523 HydrophobicContact CB-CG 4.41Å; N521-Q523 PolarHBondContact O-N 3.31Å
524I90.2Very high90.2Very high27 Ų2732.1 Ų32.114%0.13816%0.16CC..EExtended strand (participates in β ladder)trans-74.7128.2174.3-56.8172.3000107.9L428 A480 P516 I517 W518 G526L428-I524 HydrophobicContact CD1-CB 4.44Å; L428-I524 HydrophobicContact CD1-CG2 4.02Å; L428-I524 WeakPolarHBondContact CD1-O 3.34Å; A480-I524 VanDerWaalsContact O-CD1 3.26Å; A480-I524 WeakPolarHBondContact O-CD1 3.47Å; P516-I524 HydrophobicContact CB-CD1 4.41Å; P516-I524 HydrophobicContact CB-CG1 4.46Å; P516-I524 HydrophobicContact CB-CG2 4.37Å; I517-I524 WeakPolarHBondContact O-CA 3.44Å; W518-I524 HydrophobicContact CD2-CG1 4.19Å; W518-I524 HydrophobicContact CE3-CG1 3.72Å; W518-I524 HydrophobicContact CH2-CD1 3.89Å; W518-I524 HydrophobicContact CH2-CG1 3.66Å; W518-I524 HydrophobicContact CZ2-CD1 4.34Å; W518-I524 HydrophobicContact CZ2-CG1 4.11Å; W518-I524 HydrophobicContact CZ3-CD1 4.14Å; W518-I524 HydrophobicContact CZ3-CG1 3.44Å; W518-I524 VanDerWaalsContact CZ3-CG1 3.44Å; I524-G526 WeakPolarHBondContact CG2-O 3.17Å
525I90.5Very high89.8Confident10 Ų1036.1 Ų36.15%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-111.4-6.8177.260.3173.9000112.8L428 I431 I517 N519 I558 N559L428-I525 PolarHBondContact N-O 3.27Å; I431-I525 HydrophobicContact CD1-CG2 3.8Å; I431-I525 HydrophobicContact CG1-CG2 4.35Å; I517-I525 HydrophobicContact CB-CG1 4.2Å; I517-I525 HydrophobicContact CG2-CD1 4.02Å; I517-I525 HydrophobicContact CG2-CG1 3.76Å; I517-I525 WeakPolarHBondContact O-CG1 3.24Å; I517-I525 PolarHBondContact O-N 2.76Å; N519-I525 HydrophobicContact CB-CD1 4.42Å; N519-I525 HydrophobicContact CB-CG2 3.75Å; I525-I558 HydrophobicContact CD1-CB 4.27Å; I525-I558 HydrophobicContact CD1-CG2 3.86Å; I525-N559 HydrophobicContact CD1-CB 4.24Å
526G91.1Very high89.1Confident0 Ų038.4 Ų38.40%021%0.206CC..EExtended strand (participates in β ladder)trans170.6-174.3-177.900000111.8L426 I517 I524L426-G526 CarbonylContact O-C 3.57Å; L426-G526 WeakPolarHBondContact O-CA 3.48Å; I517-G526 WeakPolarHBondContact CB-O 3.46Å; I517-G526 PolarHBondContact N-O 3.28Å; I524-G526 WeakPolarHBondContact CG2-O 3.17Å
527V92.5Very high88.7Confident0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-133.5146.4172.7-600000110.1L426 F438 A476 V479 A480L426-V527 HydrophobicContact CB-CG2 3.86Å; L426-V527 HydrophobicContact CD1-CG2 3.96Å; L426-V527 PolarHBondContact N-O 3.41Å; L426-V527 PolarHBondContact O-N 3.02Å; F438-V527 HydrophobicContact CE1-CG2 4.12Å; F438-V527 HydrophobicContact CZ-CG2 4.16Å; A476-V527 HydrophobicContact CB-CG2 3.74Å; V479-V527 HydrophobicContact CB-CG1 4.16Å; V479-V527 HydrophobicContact CG1-CB 4.37Å; V479-V527 HydrophobicContact CG1-CG1 3.77Å; A480-V527 HydrophobicContact CB-CG1 3.8Å
528A93Very high88.6Confident4 Ų447 Ų473%0.03325%0.249CC..EExtended strand (participates in β ladder)trans-111.4135.6173.400000108.6V425 C514 V515 I517 F547 V551V425-A528 HydrophobicContact CG2-CB 4.32Å; C514-A528 CarbonylContact C-O 3.55Å; C514-A528 WeakPolarHBondContact CA-O 3.38Å; V515-A528 PolarHBondContact N-O 3.31Å; V515-A528 PolarHBondContact O-N 3.37Å; I517-A528 HydrophobicContact CD1-CB 4.13Å; I517-A528 HydrophobicContact CG1-CB 4.1Å; A528-F547 HydrophobicContact CB-CE1 4.34Å; A528-F547 HydrophobicContact CB-CE2 4.28Å; A528-F547 HydrophobicContact CB-CZ 3.62Å; A528-V551 HydrophobicContact CB-CG2 3.83Å
529Q91.6Very high88.7Confident16 Ų1643.2 Ų43.28%0.07524%0.235CC..EExtended strand (participates in β ladder)trans-133.3140.2-177179.5-174.537.200109.5C423 S424 V512 L513 C514 L531C423-Q529 CarbonylContact C-O 3.12Å; C423-Q529 WeakPolarHBondContact CA-O 3.4Å; S424-Q529 PolarHBondContact N-O 3.44Å; S424-Q529 PolarHBondContact O-N 3.47Å; S424-Q529 WeakPolarHBondContact OG-CB 3.28Å; S424-Q529 PolarHBondContact OG-OE1 3.12Å; V512-Q529 HydrophobicContact CG1-CG 4.11Å; L513-Q529 WeakPolarHBondContact O-CA 3.42Å; C514-Q529 HydrophobicContact CB-CB 4.27Å; C514-Q529 HydrophobicContact CB-CG 4.22Å; Q529-L531 HydrophobicContact CG-CD2 3.83Å; Q529-L531 HydrophobicContact CG-CG 4.43Å
530V92.3Very high88.7Confident0 Ų046.2 Ų46.20%025%0.251CS..EExtended strand (participates in β ladder)trans-128.2138.7171.7-65.40000109.4L418 C420 R422 C423 L513 F539 F547L418-V530 HydrophobicContact CD1-CG1 4.26Å; L418-V530 HydrophobicContact CD1-CG2 4.02Å; C420-V530 HydrophobicContact CB-CB 4.08Å; R422-V530 WeakPolarHBondContact O-CA 2.93Å; C423-V530 HydrophobicContact CB-CG1 4.05Å; L513-V530 HydrophobicContact CB-CG2 3.78Å; L513-V530 HydrophobicContact CD2-CG2 4.08Å; L513-V530 HydrophobicContact CG-CG2 4.16Å; L513-V530 PolarHBondContact N-O 2.83Å; L513-V530 PolarHBondContact O-N 2.74Å; V530-F539 HydrophobicContact CB-CZ 4.46Å; V530-F539 HydrophobicContact CG2-CE1 4.26Å; V530-F539 HydrophobicContact CG2-CE2 4.32Å; V530-F539 HydrophobicContact CG2-CZ 3.94Å; V530-F547 HydrophobicContact CG1-CE1 4.36Å; V530-F547 HydrophobicContact CG1-CE2 4.15Å; V530-F547 HydrophobicContact CG1-CZ 3.84Å; V530-F547 HydrophobicContact CG2-CD1 4.41Å; V530-F547 HydrophobicContact CG2-CE1 4.14Å; V530-F547 HydrophobicContact CG2-CZ 4.43Å
531L90Very high89Confident9 Ų948.4 Ų48.45%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-122.1136.9-173.7-50.5174.9000109.6E421 R422 F507 I509 S511 V512 Q529E421-L531 PolarHBondContact N-O 3.43Å; R422-L531 HydrophobicContact CB-CB 4.03Å; R422-L531 HydrophobicContact CB-CD1 4.22Å; R422-L531 HydrophobicContact CB-CG 4.4Å; R422-L531 PolarHBondContact N-O 3.17Å; R422-L531 PolarHBondContact O-N 3.14Å; F507-L531 HydrophobicContact CE1-CB 4.31Å; F507-L531 HydrophobicContact CE1-CD1 4.24Å; I509-L531 HydrophobicContact CD1-CD1 3.92Å; I509-L531 HydrophobicContact CD1-CD2 4.41Å; I509-L531 HydrophobicContact CG1-CD1 4.17Å; I509-L531 HydrophobicContact CG2-CD2 4.23Å; S511-L531 WeakPolarHBondContact O-CA 3.37Å; V512-L531 HydrophobicContact CB-CD2 4.26Å; V512-L531 HydrophobicContact CG1-CD2 3.91Å; V512-L531 HydrophobicContact CG2-CD2 3.88Å; Q529-L531 HydrophobicContact CG-CD2 3.83Å; Q529-L531 HydrophobicContact CG-CG 4.43Å
532N89.3Confident88.9Confident0 Ų045.7 Ų45.70%025%0.25CS..EExtended strand (participates in β ladder)trans53.5117.5174.7-60.8-14.6000115.2C420 E421 F507 H508 R510 S511C420-N532 CarbonylContact C-O 3.57Å; C420-N532 VanDerWaalsContact CA-O 3.23Å; C420-N532 WeakPolarHBondContact CA-O 2.96Å; E421-N532 HydrophobicContact CB-CB 3.99Å; E421-N532 HydrophobicContact CG-CB 3.8Å; E421-N532 PolarHBondContact N-O 3.34Å; E421-N532 WeakPolarHBondContact OE2-CB 3.37Å; E421-N532 PolarHBondContact OE2-ND2 2.73Å; F507-N532 WeakPolarHBondContact CZ-ND2 3.2Å; H508-N532 PolarHBondContact O-ND2 3.22Å; R510-N532 WeakPolarHBondContact CA-OD1 3.39Å; R510-N532 WeakPolarHBondContact CB-OD1 3.46Å; R510-N532 PolarHBondContact N-OD1 2.67Å; R510-N532 PolarHBondContact NH1-ND2 3.38Å; R510-N532 VanDerWaalsContact NH1-ND2 3.14Å; S511-N532 PolarHBondContact N-OD1 3.45Å; S511-N532 VanDerWaalsContact N-OD1 3.1Å; S511-N532 PolarHBondContact O-N 3.48Å
533R89.9Confident89.1Confident34 Ų3439.3 Ų39.313%0.12822%0.222CC..EExtended strand (participates in β ladder)trans-73.9137171-141.4166.475.9170.45.6110.6D535 G536 K537 P538 F539 D540 D543R533-D535 WeakPolarHBondContact CB-OD1 3.42Å; R533-D535 IonicContact CZ-OD1 3.39Å; R533-D535 IonicContact CZ-OD2 3.83Å; R533-D535 IonicContact NE-OD1 3.2Å; R533-D535 PolarHBondContact NE-OD1 3.45Å; R533-D535 IonicContact NE-OD2 2.71Å; R533-D535 IonicContact NH2-OD1 2.7Å; R533-D535 IonicContact NH2-OD2 3.62Å; R533-D535 PolarHBondContact NH2-OD2 2.86Å; R533-D535 PolarHBondContact O-N 3.26Å; R533-D535 VanDerWaalsContact O-N 3.16Å; R533-G536 PolarHBondContact O-N 2.84Å; R533-K537 WeakPolarHBondContact CB-O 3.43Å; R533-P538 PolarHBondContact NH1-O 3.47Å; R533-F539 HydrophobicContact CB-CD1 4.37Å; R533-F539 HydrophobicContact CB-CE1 4.02Å; R533-F539 HydrophobicContact CB-CZ 4.36Å; R533-F539 HydrophobicContact CG-CD1 4.11Å; R533-F539 HydrophobicContact CG-CE1 3.86Å; R533-D540 IonicContact NH1-OD2 2.98Å; R533-D540 PolarHBondContact NH1-OD2 3.01Å; R533-D543 IonicContact CZ-OD2 3.73Å; R533-D543 IonicContact NH1-OD2 2.65Å; R533-D543 PolarHBondContact NH1-OD2 3.3Å
534L86.9Confident89.2Confident62 Ų6237.8 Ų37.833%0.32521%0.214SC..THydrogen-bonded Turntrans-65.7-15.4-175.3-74.4168.9000114.1K419 E421 G536K419-L534 HydrophobicContact CB-CD1 4.19Å; K419-L534 VanDerWaalsContact O-CB 3.25Å; K419-L534 WeakPolarHBondContact O-CB 3.44Å; K419-L534 WeakPolarHBondContact O-CG 3.28Å; K419-L534 PolarHBondContact O-N 2.82Å; E421-L534 HydrophobicContact CG-CD2 3.79Å; E421-L534 HydrophobicContact CG-CG 4.5Å; L534-G536 VanDerWaalsContact C-N 3.35Å
535D84.3Confident89.1Confident84 Ų8444.4 Ų44.445%0.44924%0.238SC..THydrogen-bonded Turntrans-91.64.9173.473.5-24.8000113.2R533 K537R533-D535 WeakPolarHBondContact CB-OD1 3.42Å; R533-D535 IonicContact CZ-OD1 3.39Å; R533-D535 IonicContact CZ-OD2 3.83Å; R533-D535 IonicContact NE-OD1 3.2Å; R533-D535 PolarHBondContact NE-OD1 3.45Å; R533-D535 IonicContact NE-OD2 2.71Å; R533-D535 IonicContact NH2-OD1 2.7Å; R533-D535 IonicContact NH2-OD2 3.62Å; R533-D535 PolarHBondContact NH2-OD2 2.86Å; R533-D535 PolarHBondContact O-N 3.26Å; R533-D535 VanDerWaalsContact O-N 3.16Å; D535-K537 VanDerWaalsContact C-N 3.25Å; D535-K537 PolarHBondContact O-N 2.93Å; D535-K537 PolarHBondContact OD1-N 3.29Å; D535-K537 WeakPolarHBondContact OD2-CD 3.47Å
536G80.9Confident88.9Confident53 Ų5345 Ų4555%0.54624%0.241SC..SBendtrans77.10.7178.900000115.2R533 L534R533-G536 PolarHBondContact O-N 2.84Å; L534-G536 VanDerWaalsContact C-N 3.35Å
537K86.8Confident88.9Confident125 Ų12545 Ų4554%0.54324%0.241SC..PPolyproline II helixtrans-91.9158.8179.3-64.5-178.8-169.7164.90111.5R533 D535R533-K537 WeakPolarHBondContact CB-O 3.43Å; D535-K537 VanDerWaalsContact C-N 3.25Å; D535-K537 PolarHBondContact O-N 2.93Å; D535-K537 PolarHBondContact OD1-N 3.29Å; D535-K537 WeakPolarHBondContact OD2-CD 3.47Å
538P89.8Confident88.8Confident62 Ų6248 Ų4840%0.40326%0.255SS..PPolyproline II helixtrans-66.2160.1169.329.7-36.3000111.4R533R533-P538 PolarHBondContact NH1-O 3.47Å
539F92.2Very high88.6Confident5 Ų549.2 Ų49.22%0.02227%0.265CS..PPolyproline II helixtrans-71.5136.7171.3-60.8-74000110.2C420 N487 L513 V530 R533 D543C420-F539 HydrophobicContact CB-CE1 4.4Å; C420-F539 HydrophobicContact CB-CZ 4.12Å; N487-F539 PolarHBondContact ND2-O 2.9Å; L513-F539 HydrophobicContact CB-CB 4.4Å; L513-F539 HydrophobicContact CB-CD2 3.69Å; L513-F539 HydrophobicContact CB-CE2 4.11Å; L513-F539 HydrophobicContact CB-CG 4.05Å; L513-F539 HydrophobicContact CD2-CB 4.38Å; L513-F539 HydrophobicContact CD2-CD1 4.48Å; L513-F539 HydrophobicContact CD2-CG 4.31Å; V530-F539 HydrophobicContact CB-CZ 4.46Å; V530-F539 HydrophobicContact CG2-CE1 4.26Å; V530-F539 HydrophobicContact CG2-CE2 4.32Å; V530-F539 HydrophobicContact CG2-CZ 3.94Å; R533-F539 HydrophobicContact CB-CD1 4.37Å; R533-F539 HydrophobicContact CB-CE1 4.02Å; R533-F539 HydrophobicContact CB-CZ 4.36Å; R533-F539 HydrophobicContact CG-CD1 4.11Å; R533-F539 HydrophobicContact CG-CE1 3.86Å; F539-D543 WeakPolarHBondContact CA-OD2 3.25Å; F539-D543 HydrophobicContact CB-CB 4.11Å; F539-D543 HydrophobicContact CD1-CB 4.25Å
540D88.8Confident88.4Confident74 Ų7448.5 Ų48.540%0.39626%0.261SS..  trans-98.6174.9179.96448.9000113.4R533 A542 D543 Q544R533-D540 IonicContact NH1-OD2 2.98Å; R533-D540 PolarHBondContact NH1-OD2 3.01Å; D540-A542 PolarHBondContact O-N 3.33Å; D540-A542 VanDerWaalsContact O-N 3.17Å; D540-A542 WeakPolarHBondContact OD1-CA 3.46Å; D540-A542 VanDerWaalsContact OD1-CB 3.24Å; D540-A542 WeakPolarHBondContact OD1-CB 3.49Å; D540-A542 PolarHBondContact OD1-N 2.8Å; D540-D543 PolarHBondContact N-OD2 2.95Å; D540-D543 VanDerWaalsContact N-OD2 3.11Å; D540-D543 WeakPolarHBondContact O-CB 3.2Å; D540-D543 PolarHBondContact O-N 2.92Å; D540-D543 VanDerWaalsContact O-N 3.15Å; D540-D543 PolarHBondContact OD1-N 2.89Å; D540-Q544 PolarHBondContact O-N 3.4Å
541D87.8Confident88.3Confident113 Ų11348.6 Ų48.660%0.60426%0.262SS*.Hα-helixtrans-60.2-24.4179.1-67.2-23.2000113R545D541-R545 WeakPolarHBondContact O-CB 3.5Å; D541-R545 VanDerWaalsContact O-CG 3.23Å; D541-R545 WeakPolarHBondContact O-CG 3.25Å; D541-R545 PolarHBondContact O-N 2.62Å; D541-R545 VanDerWaalsContact O-N 3.16Å
542A84.5Confident88.1Confident52 Ų5252.7 Ų52.743%0.4328%0.283SS..Hα-helixtrans-79.4-39.917700000110.9D540 R545 L546D540-A542 PolarHBondContact O-N 3.33Å; D540-A542 VanDerWaalsContact O-N 3.17Å; D540-A542 WeakPolarHBondContact OD1-CA 3.46Å; D540-A542 VanDerWaalsContact OD1-CB 3.24Å; D540-A542 WeakPolarHBondContact OD1-CB 3.49Å; D540-A542 PolarHBondContact OD1-N 2.8Å; A542-R545 PolarHBondContact O-N 3.25Å; A542-L546 WeakPolarHBondContact O-CB 3.17Å; A542-L546 PolarHBondContact O-N 2.99Å
543D88.9Confident87.9Confident24 Ų2455.7 Ų55.713%0.12830%0.296CS..Hα-helixtrans-56.7-49.3169.5-68.3-33.4000110.6L418 R533 F539 D540 L546 F547L418-D543 HydrophobicContact CD2-CB 4.13Å; R533-D543 IonicContact CZ-OD2 3.73Å; R533-D543 IonicContact NH1-OD2 2.65Å; R533-D543 PolarHBondContact NH1-OD2 3.3Å; F539-D543 WeakPolarHBondContact CA-OD2 3.25Å; F539-D543 HydrophobicContact CB-CB 4.11Å; F539-D543 HydrophobicContact CD1-CB 4.25Å; D540-D543 PolarHBondContact N-OD2 2.95Å; D540-D543 VanDerWaalsContact N-OD2 3.11Å; D540-D543 WeakPolarHBondContact O-CB 3.2Å; D540-D543 PolarHBondContact O-N 2.92Å; D540-D543 VanDerWaalsContact O-N 3.15Å; D540-D543 PolarHBondContact OD1-N 2.89Å; D543-L546 PolarHBondContact O-N 2.76Å; D543-F547 PolarHBondContact O-N 3.13Å
544Q91.1Very high87.8Confident39 Ų3954.1 Ų54.118%0.18229%0.291CS..Hα-helixtrans-57.9-54.1177.4174.2174.7-23.400111.8L513 D540 L546 F547 E548L513-Q544 HydrophobicContact CD1-CB 3.98Å; L513-Q544 HydrophobicContact CD1-CG 4.05Å; D540-Q544 PolarHBondContact O-N 3.4Å; Q544-L546 PolarHBondContact O-N 3.35Å; Q544-F547 PolarHBondContact O-N 3.18Å; Q544-F547 VanDerWaalsContact O-N 3.1Å; Q544-E548 HydrophobicContact CG-CG 4.49Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.39Å; Q544-E548 PolarHBondContact NE2-OE1 3.08Å; Q544-E548 PolarHBondContact O-N 3.05Å
545R88.8Confident87.9Confident166 Ų16651.2 Ų51.263%0.62628%0.275SS*.Hα-helixtrans-61.5-31.2179.4-71.4173.3-169.4-176.36.9112.9D541 A542 A549D541-R545 WeakPolarHBondContact O-CB 3.5Å; D541-R545 VanDerWaalsContact O-CG 3.23Å; D541-R545 WeakPolarHBondContact O-CG 3.25Å; D541-R545 PolarHBondContact O-N 2.62Å; D541-R545 VanDerWaalsContact O-N 3.16Å; A542-R545 PolarHBondContact O-N 3.25Å; R545-A549 WeakPolarHBondContact O-CB 3.49Å; R545-A549 PolarHBondContact O-N 3.05Å
546L87Confident87.9Confident23 Ų2350 Ų5012%0.1227%0.269CS..Hα-helixtrans-71.1-41.2175.6-178.658.6000111.2R385 L389 L417 L418 A542 D543 Q544 F550R385-L546 HydrophobicContact CG-CD1 4.03Å; L389-L546 HydrophobicContact CD2-CD1 4.36Å; L417-L546 HydrophobicContact CD1-CD1 4.33Å; L417-L546 HydrophobicContact CD1-CD2 3.93Å; L417-L546 HydrophobicContact CD1-CG 4.33Å; L417-L546 HydrophobicContact CD2-CD1 4.1Å; L417-L546 HydrophobicContact CD2-CD2 4.25Å; L417-L546 HydrophobicContact CD2-CG 3.88Å; L417-L546 HydrophobicContact CG-CD1 4.43Å; L417-L546 HydrophobicContact CG-CD2 3.8Å; L417-L546 HydrophobicContact CG-CG 4.01Å; L418-L546 HydrophobicContact CD2-CD2 4.35Å; A542-L546 WeakPolarHBondContact O-CB 3.17Å; A542-L546 PolarHBondContact O-N 2.99Å; D543-L546 PolarHBondContact O-N 2.76Å; Q544-L546 PolarHBondContact O-N 3.35Å; L546-F550 VanDerWaalsContact O-CB 3.31Å; L546-F550 WeakPolarHBondContact O-CB 3.44Å; L546-F550 PolarHBondContact O-N 3.23Å
547F90.6Very high88.1Confident1 Ų147.5 Ų47.50%0.00424%0.243CC..Hα-helixtrans-69.4-41.6177.4-166.9-143.1000112.4A414 L418 L513 V515 A528 V530 D543 Q544 A549 F550 V551A414-F547 HydrophobicContact CB-CE2 4.27Å; L418-F547 HydrophobicContact CD1-CB 3.68Å; L418-F547 HydrophobicContact CD1-CD1 4.3Å; L418-F547 HydrophobicContact CD1-CD2 3.41Å; L418-F547 VanDerWaalsContact CD1-CD2 3.41Å; L418-F547 HydrophobicContact CD1-CE2 4.06Å; L418-F547 HydrophobicContact CD1-CG 3.55Å; L418-F547 HydrophobicContact CD2-CB 4.36Å; L513-F547 HydrophobicContact CD2-CB 3.94Å; L513-F547 HydrophobicContact CD2-CD1 3.77Å; L513-F547 HydrophobicContact CD2-CG 4.22Å; L513-F547 HydrophobicContact CG-CD1 3.77Å; L513-F547 HydrophobicContact CG-CE1 4.37Å; V515-F547 HydrophobicContact CB-CD1 3.93Å; V515-F547 HydrophobicContact CB-CE1 3.98Å; V515-F547 HydrophobicContact CG2-CD1 3.37Å; V515-F547 HydrophobicContact CG2-CE1 3.86Å; V515-F547 HydrophobicContact CG2-CG 4.23Å; A528-F547 HydrophobicContact CB-CE1 4.34Å; A528-F547 HydrophobicContact CB-CE2 4.28Å; A528-F547 HydrophobicContact CB-CZ 3.62Å; V530-F547 HydrophobicContact CG1-CE1 4.36Å; V530-F547 HydrophobicContact CG1-CE2 4.15Å; V530-F547 HydrophobicContact CG1-CZ 3.84Å; V530-F547 HydrophobicContact CG2-CD1 4.41Å; V530-F547 HydrophobicContact CG2-CE1 4.14Å; V530-F547 HydrophobicContact CG2-CZ 4.43Å; D543-F547 PolarHBondContact O-N 3.13Å; Q544-F547 PolarHBondContact O-N 3.18Å; Q544-F547 VanDerWaalsContact O-N 3.1Å; F547-A549 PolarHBondContact O-N 3.04Å; F547-F550 AromaticContact CD2-CD1 3.99Å; F547-F550 HydrophobicContact CD2-CD1 3.99Å; F547-F550 HydrophobicContact CE2-CD1 4.13Å; F547-F550 HydrophobicContact CE2-CE1 4.48Å; F547-F550 WeakPolarHBondContact O-CB 3.17Å; F547-F550 PolarHBondContact O-N 3.03Å; F547-V551 HydrophobicContact CD2-CG2 3.83Å; F547-V551 HydrophobicContact CE1-CG2 4.42Å; F547-V551 HydrophobicContact CE2-CG2 3.67Å; F547-V551 HydrophobicContact CG-CG2 4.3Å; F547-V551 HydrophobicContact CZ-CG2 3.99Å; F547-V551 WeakPolarHBondContact O-CB 3.17Å; F547-V551 VanDerWaalsContact O-CG2 3.28Å; F547-V551 WeakPolarHBondContact O-CG2 3.3Å; F547-V551 PolarHBondContact O-N 2.94Å
548E90.6Very high88.1Confident63 Ų6341.6 Ų41.629%0.29422%0.217SC..Hα-helixtrans-55.6-50.5172.7-74.3176.3-14300111.7P485 V515 Q544 F550 V551 I552P485-E548 HydrophobicContact CB-CG 4.41Å; P485-E548 WeakPolarHBondContact CG-OE1 3.25Å; V515-E548 HydrophobicContact CG1-CG 4.05Å; V515-E548 HydrophobicContact CG2-CG 4.13Å; Q544-E548 HydrophobicContact CG-CG 4.49Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.39Å; Q544-E548 PolarHBondContact NE2-OE1 3.08Å; Q544-E548 PolarHBondContact O-N 3.05Å; E548-F550 VanDerWaalsContact C-N 3.31Å; E548-F550 PolarHBondContact O-N 3.2Å; E548-V551 PolarHBondContact O-N 2.7Å; E548-I552 WeakPolarHBondContact O-CG1 3.1Å; E548-I552 PolarHBondContact O-N 2.76Å
549A87.9Confident87.9Confident29 Ų2939.6 Ų39.624%0.2420%0.203CC..Hα-helixtrans-60.4-39.7176.900000112.6L389 R545 F547 F553L389-A549 HydrophobicContact CD1-CB 4.2Å; L389-A549 HydrophobicContact CD2-CB 4.45Å; R545-A549 WeakPolarHBondContact O-CB 3.49Å; R545-A549 PolarHBondContact O-N 3.05Å; F547-A549 PolarHBondContact O-N 3.04Å; A549-F553 WeakPolarHBondContact O-CD2 3.35Å; A549-F553 WeakPolarHBondContact O-CE2 3.45Å
550F87.7Confident87.6Confident0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-65.6-43.7176.4173-89.8000112.3L389 V392 I410 R413 A414 L417 L546 F547 E548 I552 F553 C554L389-F550 HydrophobicContact CD2-CB 4.17Å; V392-F550 HydrophobicContact CB-CD2 4.44Å; V392-F550 HydrophobicContact CB-CE2 4.19Å; V392-F550 HydrophobicContact CG1-CD2 3.85Å; V392-F550 HydrophobicContact CG1-CE2 3.44Å; V392-F550 VanDerWaalsContact CG1-CE2 3.44Å; V392-F550 HydrophobicContact CG1-CZ 4.31Å; V392-F550 HydrophobicContact CG2-CD2 4.06Å; V392-F550 HydrophobicContact CG2-CE2 3.71Å; I410-F550 HydrophobicContact CG2-CE1 3.95Å; I410-F550 HydrophobicContact CG2-CZ 4.13Å; I410-F550 WeakPolarHBondContact O-CZ 3.44Å; R413-F550 HydrophobicContact CB-CE2 3.91Å; R413-F550 HydrophobicContact CB-CZ 4.07Å; A414-F550 HydrophobicContact CB-CD1 4.39Å; A414-F550 HydrophobicContact CB-CE1 3.59Å; A414-F550 HydrophobicContact CB-CZ 3.82Å; L417-F550 HydrophobicContact CD2-CB 4.09Å; L417-F550 HydrophobicContact CD2-CD2 3.71Å; L417-F550 HydrophobicContact CD2-CE2 4.45Å; L417-F550 HydrophobicContact CD2-CG 4.06Å; L546-F550 VanDerWaalsContact O-CB 3.31Å; L546-F550 WeakPolarHBondContact O-CB 3.44Å; L546-F550 PolarHBondContact O-N 3.23Å; F547-F550 AromaticContact CD2-CD1 3.99Å; F547-F550 HydrophobicContact CD2-CD1 3.99Å; F547-F550 HydrophobicContact CE2-CD1 4.13Å; F547-F550 HydrophobicContact CE2-CE1 4.48Å; F547-F550 WeakPolarHBondContact O-CB 3.17Å; F547-F550 PolarHBondContact O-N 3.03Å; E548-F550 VanDerWaalsContact C-N 3.31Å; E548-F550 PolarHBondContact O-N 3.2Å; F550-I552 VanDerWaalsContact C-N 3.32Å; F550-I552 PolarHBondContact O-N 3.03Å; F550-F553 PolarHBondContact O-N 2.99Å; F550-C554 WeakPolarHBondContact CE1-SG 3.47Å; F550-C554 PolarHBondContact O-N 3.28Å; F550-C554 PolarHBondContact O-SG 3.02Å
551V89.7Confident87.4Confident2 Ų238.6 Ų38.61%0.01220%0.198CC..Hα-helixtrans-66.7-30.8-177.21680000112.5V515 P516 I517 A528 F547 E548 F553 C554 G555V515-V551 HydrophobicContact CB-CG2 4.28Å; V515-V551 HydrophobicContact CG1-CB 3.89Å; V515-V551 HydrophobicContact CG1-CG1 3.9Å; V515-V551 HydrophobicContact CG1-CG2 4Å; P516-V551 VanDerWaalsContact O-CG1 3.24Å; P516-V551 WeakPolarHBondContact O-CG1 3.28Å; I517-V551 HydrophobicContact CB-CG1 4.22Å; I517-V551 HydrophobicContact CG1-CG1 3.83Å; A528-V551 HydrophobicContact CB-CG2 3.83Å; F547-V551 HydrophobicContact CD2-CG2 3.83Å; F547-V551 HydrophobicContact CE1-CG2 4.42Å; F547-V551 HydrophobicContact CE2-CG2 3.67Å; F547-V551 HydrophobicContact CG-CG2 4.3Å; F547-V551 HydrophobicContact CZ-CG2 3.99Å; F547-V551 WeakPolarHBondContact O-CB 3.17Å; F547-V551 VanDerWaalsContact O-CG2 3.28Å; F547-V551 WeakPolarHBondContact O-CG2 3.3Å; F547-V551 PolarHBondContact O-N 2.94Å; E548-V551 PolarHBondContact O-N 2.7Å; V551-F553 VanDerWaalsContact C-N 3.35Å; V551-F553 PolarHBondContact O-N 2.69Å; V551-C554 WeakPolarHBondContact O-CB 3.46Å; V551-C554 PolarHBondContact O-N 3.19Å; V551-G555 PolarHBondContact O-N 3.48Å
552I87.6Confident87.2Confident95 Ų9535.5 Ų35.549%0.48718%0.181SC..Hα-helixtrans-56.8-47.2172.7-67.5166.2000111.2E548 F550 C554 G555 L556E548-I552 WeakPolarHBondContact O-CG1 3.1Å; E548-I552 PolarHBondContact O-N 2.76Å; F550-I552 VanDerWaalsContact C-N 3.32Å; F550-I552 PolarHBondContact O-N 3.03Å; I552-C554 VanDerWaalsContact C-N 3.33Å; I552-C554 PolarHBondContact O-N 3.03Å; I552-G555 PolarHBondContact O-N 3.21Å; I552-L556 PolarHBondContact O-N 3.46Å
553F85.3Confident87.1Confident63 Ų6336.8 Ų36.828%0.27618%0.179SC..Hα-helixtrans-68.6-34178-61.7-65.8000112.4L389 V393 A549 F550 V551 L556 G557L389-F553 HydrophobicContact CB-CE2 4.39Å; V393-F553 HydrophobicContact CG2-CB 3.94Å; V393-F553 HydrophobicContact CG2-CD1 3.37Å; V393-F553 HydrophobicContact CG2-CD2 4.02Å; V393-F553 HydrophobicContact CG2-CE1 3.79Å; V393-F553 HydrophobicContact CG2-CE2 4.39Å; V393-F553 HydrophobicContact CG2-CG 3.5Å; V393-F553 VanDerWaalsContact CG2-CG 3.5Å; V393-F553 HydrophobicContact CG2-CZ 4.28Å; A549-F553 WeakPolarHBondContact O-CD2 3.35Å; A549-F553 WeakPolarHBondContact O-CE2 3.45Å; F550-F553 PolarHBondContact O-N 2.99Å; V551-F553 VanDerWaalsContact C-N 3.35Å; V551-F553 PolarHBondContact O-N 2.69Å; F553-L556 PolarHBondContact O-N 3.23Å; F553-G557 PolarHBondContact O-N 3.45Å
554C86.6Confident86.8Confident2 Ų242.5 Ų42.51%0.01420%0.2CC..Hα-helixtrans-63-43.8174.7-62.70000111.8I410 F550 V551 I552 L556 G557 I558I410-C554 HydrophobicContact CD1-CB 3.81Å; I410-C554 HydrophobicContact CG1-CB 4.17Å; I410-C554 HydrophobicContact CG2-CB 4.06Å; I410-C554 WeakPolarHBondContact CG2-SG 3.45Å; F550-C554 WeakPolarHBondContact CE1-SG 3.47Å; F550-C554 PolarHBondContact O-N 3.28Å; F550-C554 PolarHBondContact O-SG 3.02Å; V551-C554 WeakPolarHBondContact O-CB 3.46Å; V551-C554 PolarHBondContact O-N 3.19Å; I552-C554 VanDerWaalsContact C-N 3.33Å; I552-C554 PolarHBondContact O-N 3.03Å; C554-L556 PolarHBondContact O-N 3.38Å; C554-G557 PolarHBondContact O-N 3.46Å; C554-I558 WeakPolarHBondContact O-CB 3.32Å; C554-I558 VanDerWaalsContact O-CG1 3.28Å; C554-I558 WeakPolarHBondContact O-CG1 3.45Å; C554-I558 PolarHBondContact O-N 3.47Å
555G88.5Confident86.4Confident0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-61.8-41176.900000113.2W518 V551 I552 N559W518-G555 CarbonylContact O-C 3.11Å; W518-G555 VanDerWaalsContact O-CA 3.28Å; W518-G555 WeakPolarHBondContact O-CA 3.39Å; V551-G555 PolarHBondContact O-N 3.48Å; I552-G555 PolarHBondContact O-N 3.21Å; G555-N559 WeakPolarHBondContact O-CB 3.34Å; G555-N559 PolarHBondContact O-N 3.43Å
556L85.1Confident86.2Confident60 Ų6040.9 Ų40.931%0.31420%0.201SC..Hα-helixtrans-61.7-45.1172.1-67.6171.5000112.3F397 I552 F553 C554 N560F397-L556 HydrophobicContact CZ-CB 4.2Å; I552-L556 PolarHBondContact O-N 3.46Å; F553-L556 PolarHBondContact O-N 3.23Å; C554-L556 PolarHBondContact O-N 3.38Å; L556-N560 WeakPolarHBondContact O-CB 3.27Å; L556-N560 VanDerWaalsContact O-CG 3.24Å; L556-N560 PolarHBondContact O-N 2.94Å; L556-N560 VanDerWaalsContact O-N 3.12Å; L556-N560 PolarHBondContact O-ND2 3.47Å
557G85.6Confident86.1Confident0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-64-46.1178.300000113.3F553 C554 T561F553-G557 PolarHBondContact O-N 3.45Å; C554-G557 PolarHBondContact O-N 3.46Å; G557-T561 PolarHBondContact O-N 3.28Å; G557-T561 PolarHBondContact O-OG1 3.4Å
558I86.8Confident85.7Confident1 Ų151.2 Ų51.21%0.00525%0.253CS..Hα-helixtrans-62-51.1177.2-70.9164.2000110.4L403 V407 I410 L427 I517 I525 C554 N560 T561 I562L403-I558 HydrophobicContact CD1-CG2 3.96Å; V407-I558 HydrophobicContact CG2-CD1 4.19Å; V407-I558 HydrophobicContact CG2-CG1 4.07Å; I410-I558 HydrophobicContact CD1-CD1 3.72Å; I410-I558 HydrophobicContact CD1-CG1 3.73Å; L427-I558 HydrophobicContact CD1-CG2 4.39Å; L427-I558 HydrophobicContact CD2-CD1 4.35Å; L427-I558 HydrophobicContact CD2-CG2 4.15Å; I517-I558 HydrophobicContact CD1-CD1 4.32Å; I517-I558 HydrophobicContact CG2-CD1 4.34Å; I525-I558 HydrophobicContact CD1-CB 4.27Å; I525-I558 HydrophobicContact CD1-CG2 3.86Å; C554-I558 WeakPolarHBondContact O-CB 3.32Å; C554-I558 VanDerWaalsContact O-CG1 3.28Å; C554-I558 WeakPolarHBondContact O-CG1 3.45Å; C554-I558 PolarHBondContact O-N 3.47Å; I558-N560 PolarHBondContact O-N 3.32Å; I558-T561 PolarHBondContact O-N 3.14Å; I558-T561 VanDerWaalsContact O-N 3.16Å; I558-I562 HydrophobicContact CG2-CD1 3.7Å; I558-I562 HydrophobicContact CG2-CG1 4.42Å; I558-I562 WeakPolarHBondContact O-CG1 3.38Å; I558-I562 PolarHBondContact O-N 3.01Å
559N86.1Confident85.4Confident19 Ų1953.7 Ų53.710%0.10226%0.263CS..Hα-helixtrans-58.4-47.3-178.6-174.965.8000112N519 I525 G555 T561 I562 M563N519-N559 HydrophobicContact CB-CB 4.18Å; I525-N559 HydrophobicContact CD1-CB 4.24Å; G555-N559 WeakPolarHBondContact O-CB 3.34Å; G555-N559 PolarHBondContact O-N 3.43Å; N559-T561 VanDerWaalsContact C-N 3.29Å; N559-T561 PolarHBondContact O-N 3.23Å; N559-I562 PolarHBondContact O-N 3.35Å; N559-M563 WeakPolarHBondContact O-CG 3.39Å; N559-M563 PolarHBondContact O-N 2.76Å
560N84.8Confident85Confident55 Ų5555.9 Ų55.929%0.29428%0.277SS..Hα-helixtrans-58.5-41.3177.6-74.3-35.3000112.1L556 I558 M563 Y564L556-N560 WeakPolarHBondContact O-CB 3.27Å; L556-N560 VanDerWaalsContact O-CG 3.24Å; L556-N560 PolarHBondContact O-N 2.94Å; L556-N560 VanDerWaalsContact O-N 3.12Å; L556-N560 PolarHBondContact O-ND2 3.47Å; I558-N560 PolarHBondContact O-N 3.32Å; N560-M563 PolarHBondContact O-N 3.3Å; N560-Y564 WeakPolarHBondContact O-CD2 3.45Å; N560-Y564 PolarHBondContact O-N 3.29Å
561T85Confident84.7Confident3 Ų364.2 Ų64.22%0.01831%0.308CS..Hα-helixtrans-72.2-36.1-178.3-54.40000112.3L403 I406 G557 I558 N559 M563 Y564 D565L403-T561 HydrophobicContact CB-CG2 4.3Å; I406-T561 HydrophobicContact CD1-CG2 3.7Å; I406-T561 WeakPolarHBondContact CD1-OG1 3.45Å; G557-T561 PolarHBondContact O-N 3.28Å; G557-T561 PolarHBondContact O-OG1 3.4Å; I558-T561 PolarHBondContact O-N 3.14Å; I558-T561 VanDerWaalsContact O-N 3.16Å; N559-T561 VanDerWaalsContact C-N 3.29Å; N559-T561 PolarHBondContact O-N 3.23Å; T561-M563 VanDerWaalsContact C-N 3.35Å; T561-Y564 PolarHBondContact O-N 3.48Å; T561-D565 PolarHBondContact O-N 2.99Å
562I83.3Confident84.3Confident48 Ų4866.6 Ų66.625%0.24633%0.328CS..Hα-helixtrans-61-45.4171-66.3168.6000110.1L403 I558 N559 D565 Q566L403-I562 HydrophobicContact CD1-CG1 4.22Å; L403-I562 HydrophobicContact CD2-CG1 4.26Å; I558-I562 HydrophobicContact CG2-CD1 3.7Å; I558-I562 HydrophobicContact CG2-CG1 4.42Å; I558-I562 WeakPolarHBondContact O-CG1 3.38Å; I558-I562 PolarHBondContact O-N 3.01Å; N559-I562 PolarHBondContact O-N 3.35Å; I562-D565 PolarHBondContact O-N 3.47Å; I562-Q566 WeakPolarHBondContact O-CG 3.36Å; I562-Q566 PolarHBondContact O-N 2.85Å
563M82.3Confident84Confident80 Ų8069.6 Ų69.639%0.39434%0.337SS..Hα-helixtrans-61.9-44176.3-65.7-64.610000112.2N559 N560 T561 D565 Q566 V567N559-M563 WeakPolarHBondContact O-CG 3.39Å; N559-M563 PolarHBondContact O-N 2.76Å; N560-M563 PolarHBondContact O-N 3.3Å; T561-M563 VanDerWaalsContact C-N 3.35Å; M563-D565 PolarHBondContact O-N 2.97Å; M563-Q566 VanDerWaalsContact CE-OE1 3.28Å; M563-Q566 PolarHBondContact O-N 2.89Å; M563-V567 WeakPolarHBondContact O-CG2 3.48Å; M563-V567 PolarHBondContact O-N 2.92Å
564Y83.4Confident83.6Confident143 Ų14372.1 Ų72.156%0.56135%0.35SS*.Hα-helixtrans-63.1-40.1177-84.7-63000113N560 T561 V567 K568N560-Y564 WeakPolarHBondContact O-CD2 3.45Å; N560-Y564 PolarHBondContact O-N 3.29Å; T561-Y564 PolarHBondContact O-N 3.48Å; Y564-V567 PolarHBondContact O-N 2.96Å; Y564-K568 VanDerWaalsContact O-CB 3.32Å; Y564-K568 WeakPolarHBondContact O-CB 3.2Å; Y564-K568 PolarHBondContact O-N 2.98Å
565D82.6Confident83.1Confident70 Ų7074.1 Ų74.137%0.37436%0.364SS..Hα-helixtrans-65.8-41175.4177.860.2000112T561 I562 M563 K568 K569T561-D565 PolarHBondContact O-N 2.99Å; I562-D565 PolarHBondContact O-N 3.47Å; M563-D565 PolarHBondContact O-N 2.97Å; D565-K568 PolarHBondContact O-N 3.01Å; D565-K569 WeakPolarHBondContact O-CB 3.24Å; D565-K569 WeakPolarHBondContact O-CG 3.28Å; D565-K569 PolarHBondContact O-N 3.05Å; D565-K569 WeakPolarHBondContact OD1-CE 3.48Å; D565-K569 IonicContact OD1-NZ 2.65Å; D565-K569 WeakPolarHBondContact OD2-CE 3.14Å; D565-K569 IonicContact OD2-NZ 3.96Å; D565-K569 PolarHBondContact OD2-NZ 3.42Å
566Q83.8Confident82.9Confident101 Ų10178.5 Ų78.547%0.47239%0.391SS..Hα-helixtrans-60.6-46.3173.1-72.7179.61.800112.1I562 M563 K568 K569 S570I562-Q566 WeakPolarHBondContact O-CG 3.36Å; I562-Q566 PolarHBondContact O-N 2.85Å; M563-Q566 VanDerWaalsContact CE-OE1 3.28Å; M563-Q566 PolarHBondContact O-N 2.89Å; Q566-K568 PolarHBondContact O-N 3.3Å; Q566-K569 PolarHBondContact O-N 3.49Å; Q566-S570 PolarHBondContact O-N 3.22Å; Q566-S570 PolarHBondContact O-OG 3.3Å
567V85Confident82.4Confident98 Ų9878.1 Ų78.159%0.59440%0.396SS*.Hα-helixtrans-60.9-44.5176170.80000110.9M563 Y564 K569 S570 W571M563-V567 WeakPolarHBondContact O-CG2 3.48Å; M563-V567 PolarHBondContact O-N 2.92Å; Y564-V567 PolarHBondContact O-N 2.96Å; V567-K569 PolarHBondContact O-N 3.3Å; V567-S570 PolarHBondContact O-N 2.83Å; V567-W571 WeakPolarHBondContact O-CB 3.39Å; V567-W571 PolarHBondContact O-N 2.95Å
568K83.3Confident81.7Confident143 Ų14382.4 Ų82.462%0.62242%0.419SS*.Hα-helixtrans-62-41.6177.9-175.1-178.8176.3-173.40112.2Y564 D565 Q566 W571 A572Y564-K568 VanDerWaalsContact O-CB 3.32Å; Y564-K568 WeakPolarHBondContact O-CB 3.2Å; Y564-K568 PolarHBondContact O-N 2.98Å; D565-K568 PolarHBondContact O-N 3.01Å; Q566-K568 PolarHBondContact O-N 3.3Å; K568-W571 PolarHBondContact O-N 3.39Å; K568-A572 WeakPolarHBondContact O-CB 3.45Å; K568-A572 PolarHBondContact O-N 3.37Å
569K84.2Confident81.2Confident116 Ų11686.9 Ų86.950%0.50444%0.442SS..Hα-helixtrans-64.4-43.5174.7-76.7167.5175.8167.20112.1D565 Q566 V567 A572 K573D565-K569 WeakPolarHBondContact O-CB 3.24Å; D565-K569 WeakPolarHBondContact O-CG 3.28Å; D565-K569 PolarHBondContact O-N 3.05Å; D565-K569 WeakPolarHBondContact OD1-CE 3.48Å; D565-K569 IonicContact OD1-NZ 2.65Å; D565-K569 WeakPolarHBondContact OD2-CE 3.14Å; D565-K569 IonicContact OD2-NZ 3.96Å; D565-K569 PolarHBondContact OD2-NZ 3.42Å; Q566-K569 PolarHBondContact O-N 3.49Å; V567-K569 PolarHBondContact O-N 3.3Å; K569-A572 PolarHBondContact O-N 3.45Å; K569-K573 WeakPolarHBondContact O-CG 3.37Å; K569-K573 PolarHBondContact O-N 3.06Å
570S78.9Confident80.8Confident74 Ų7489.6 Ų89.652%0.51746%0.459SS..Hα-helixtrans-65-39.7176-66.90000112.1Q566 V567 K573 Q574Q566-S570 PolarHBondContact O-N 3.22Å; Q566-S570 PolarHBondContact O-OG 3.3Å; V567-S570 PolarHBondContact O-N 2.83Å; S570-K573 PolarHBondContact O-N 2.88Å; S570-Q574 WeakPolarHBondContact O-CB 3.4Å; S570-Q574 PolarHBondContact O-N 2.92Å
571W81Confident80.4Confident176 Ų17692.3 Ų92.367%0.66747%0.474SS*.Hα-helixtrans-65.3-41.1175-170.373.5000112.4V567 K568 Q574 S575V567-W571 WeakPolarHBondContact O-CB 3.39Å; V567-W571 PolarHBondContact O-N 2.95Å; K568-W571 PolarHBondContact O-N 3.39Å; W571-Q574 WeakPolarHBondContact O-CB 3.5Å; W571-Q574 PolarHBondContact O-N 3.4Å; W571-S575 PolarHBondContact O-N 3.39Å
572A81.2Confident80.1Confident51 Ų5194.6 Ų94.642%0.42149%0.489SS..Hα-helixtrans-62.5-43.7173.800000112.2K568 K569 Q574 S575 V576K568-A572 WeakPolarHBondContact O-CB 3.45Å; K568-A572 PolarHBondContact O-N 3.37Å; K569-A572 PolarHBondContact O-N 3.45Å; A572-Q574 VanDerWaalsContact C-N 3.32Å; A572-Q574 PolarHBondContact O-N 3.45Å; A572-S575 PolarHBondContact O-N 3.1Å; A572-V576 WeakPolarHBondContact O-CG2 3.46Å; A572-V576 PolarHBondContact O-N 3.02Å
573K82Confident79.9Confident158 Ų158100.6 Ų100.669%0.68751%0.51SS*.Hα-helixtrans-58.8-42.9172.9-73.2174.7178.3-177.80111.9K569 S570 A577K569-K573 WeakPolarHBondContact O-CG 3.37Å; K569-K573 PolarHBondContact O-N 3.06Å; S570-K573 PolarHBondContact O-N 2.88Å; K573-A577 WeakPolarHBondContact O-CB 3.42Å; K573-A577 PolarHBondContact O-N 3.25Å
574Q76.3Confident79.9Confident116 Ų116102.7 Ų102.754%0.54252%0.519SS..Hα-helixtrans-64-42.9177.3-174.2-179.56.900111.8S570 W571 A572 A577 L578S570-Q574 WeakPolarHBondContact O-CB 3.4Å; S570-Q574 PolarHBondContact O-N 2.92Å; W571-Q574 WeakPolarHBondContact O-CB 3.5Å; W571-Q574 PolarHBondContact O-N 3.4Å; A572-Q574 VanDerWaalsContact C-N 3.32Å; A572-Q574 PolarHBondContact O-N 3.45Å; Q574-A577 PolarHBondContact O-N 3.38Å; Q574-L578 HydrophobicContact CG-CD1 4.18Å; Q574-L578 WeakPolarHBondContact O-CG 3.5Å; Q574-L578 PolarHBondContact O-N 2.66Å
575S76.9Confident79.9Confident45 Ų4596.7 Ų96.732%0.31550%0.499SS..Hα-helixtrans-59-52176.1-164.50000111.1W571 A572 A577 L578 D579W571-S575 PolarHBondContact O-N 3.39Å; A572-S575 PolarHBondContact O-N 3.1Å; S575-A577 VanDerWaalsContact C-N 3.29Å; S575-A577 PolarHBondContact O-N 2.81Å; S575-L578 PolarHBondContact O-N 3.14Å; S575-L578 VanDerWaalsContact O-N 3.08Å; S575-D579 PolarHBondContact O-N 2.91Å
576V83.1Confident80.2Confident92 Ų9295 Ų9556%0.55849%0.491SS*.Hα-helixtrans-60-39.8179174.40000111.6A572 D579 V580A572-V576 WeakPolarHBondContact O-CG2 3.46Å; A572-V576 PolarHBondContact O-N 3.02Å; V576-D579 PolarHBondContact O-N 3.1Å; V576-V580 WeakPolarHBondContact O-CG2 3.37Å; V576-V580 PolarHBondContact O-N 3.11Å
577A74.1Confident80.5Confident51 Ų5190.9 Ų90.942%0.42147%0.473SS..Hα-helixtrans-64.1-40.8175.700000112.4K573 Q574 S575 L581K573-A577 WeakPolarHBondContact O-CB 3.42Å; K573-A577 PolarHBondContact O-N 3.25Å; Q574-A577 PolarHBondContact O-N 3.38Å; S575-A577 VanDerWaalsContact C-N 3.29Å; S575-A577 PolarHBondContact O-N 2.81Å; A577-L581 WeakPolarHBondContact O-CB 3.2Å; A577-L581 WeakPolarHBondContact O-CG 3.42Å; A577-L581 PolarHBondContact O-N 2.86Å
578L72.5Confident80.8Confident91 Ų9188.6 Ų88.648%0.47646%0.462SS..Hα-helixtrans-67.2-39.6175.3-71.4171.3000112.1Q574 S575 L581 S582Q574-L578 HydrophobicContact CG-CD1 4.18Å; Q574-L578 WeakPolarHBondContact O-CG 3.5Å; Q574-L578 PolarHBondContact O-N 2.66Å; S575-L578 PolarHBondContact O-N 3.14Å; S575-L578 VanDerWaalsContact O-N 3.08Å; L578-L581 PolarHBondContact O-N 3.14Å; L578-S582 WeakPolarHBondContact O-CB 3.39Å; L578-S582 PolarHBondContact O-N 2.93Å
579D75.2Confident81.1Confident94 Ų9488.8 Ų88.850%0.50346%0.463SS..Hα-helixtrans-62.6-46.9177.4-64.3-30.1000110.7S575 V576 S582 Y583S575-D579 PolarHBondContact O-N 2.91Å; V576-D579 PolarHBondContact O-N 3.1Å; D579-S582 PolarHBondContact O-N 2.87Å; D579-S582 PolarHBondContact O-OG 2.98Å; D579-Y583 PolarHBondContact O-N 3.38Å
580V78.6Confident81.5Confident76 Ų7686.8 Ų86.846%0.46147%0.468SS..Hα-helixtrans-61.1-44.6174.5170.90000111.6V576 S582 Y583 H584V576-V580 WeakPolarHBondContact O-CG2 3.37Å; V576-V580 PolarHBondContact O-N 3.11Å; V580-S582 VanDerWaalsContact C-N 3.31Å; V580-S582 PolarHBondContact O-N 2.89Å; V580-Y583 PolarHBondContact O-N 3.37Å; V580-H584 PolarHBondContact O-CD2 3.2Å; V580-H584 PolarHBondContact O-N 2.89Å; V580-H584 VanDerWaalsContact O-N 3.14Å
581L75.5Confident82.2Confident113 Ų11386.4 Ų86.459%0.59246%0.458SS*.Hα-helixtrans-61.2-39.7175-74.1169.2000111.7A577 L578 Y583 H584 A585A577-L581 WeakPolarHBondContact O-CB 3.2Å; A577-L581 WeakPolarHBondContact O-CG 3.42Å; A577-L581 PolarHBondContact O-N 2.86Å; L578-L581 PolarHBondContact O-N 3.14Å; L581-Y583 PolarHBondContact O-N 3.41Å; L581-H584 PolarHBondContact O-N 3.49Å; L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 3.08Å
582S78.8Confident82.8Confident50 Ų5078.2 Ų78.235%0.3543%0.427SS..Hα-helixtrans-64.5-39177.483.30000112.3L578 D579 V580 A585 T586L578-S582 WeakPolarHBondContact O-CB 3.39Å; L578-S582 PolarHBondContact O-N 2.93Å; D579-S582 PolarHBondContact O-N 2.87Å; D579-S582 PolarHBondContact O-OG 2.98Å; V580-S582 VanDerWaalsContact C-N 3.31Å; V580-S582 PolarHBondContact O-N 2.89Å; S582-A585 PolarHBondContact O-N 2.82Å; S582-T586 WeakPolarHBondContact O-CB 3.18Å; S582-T586 VanDerWaalsContact O-CG2 3.31Å; S582-T586 WeakPolarHBondContact O-CG2 3.43Å; S582-T586 PolarHBondContact O-N 3.42Å; S582-T586 PolarHBondContact O-OG1 2.76Å
583Y79.3Confident83.5Confident175 Ų17579 Ų7969%0.68642%0.424SS*.Hα-helixtrans-63.1-43.4176-179.4-97.7000111.7D579 V580 L581 T586D579-Y583 PolarHBondContact O-N 3.38Å; V580-Y583 PolarHBondContact O-N 3.37Å; L581-Y583 PolarHBondContact O-N 3.41Å; Y583-T586 PolarHBondContact O-OG1 3.34Å
584H81.9Confident84Confident124 Ų12477 Ų7757%0.57442%0.416SS*.Hα-helixtrans-73-30.5175.5-69.5-66.6000113.1V580 L581 K656V580-H584 PolarHBondContact O-CD2 3.2Å; V580-H584 PolarHBondContact O-N 2.89Å; V580-H584 VanDerWaalsContact O-N 3.14Å; L581-H584 PolarHBondContact O-N 3.49Å; H584-K656 WeakPolarHBondContact O-CE 3.29Å; H584-K656 PolarHBondContact O-NZ 2.94Å
585A83.3Confident84.8Confident17 Ų1771.9 Ų71.914%0.1439%0.391CS..Hα-helixtrans-77.3-30.6179.900000114.3L581 S582 N657L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 3.08Å; S582-A585 PolarHBondContact O-N 2.82Å; A585-N657 PolarHBondContact O-ND2 3.23Å
586T89.1Confident85.5Confident34 Ų3474.2 Ų74.221%0.20940%0.396CS..SBendtrans-81.3147.3-176.247.50000113S582 Y583 T653 K656S582-T586 WeakPolarHBondContact O-CB 3.18Å; S582-T586 VanDerWaalsContact O-CG2 3.31Å; S582-T586 WeakPolarHBondContact O-CG2 3.43Å; S582-T586 PolarHBondContact O-N 3.42Å; S582-T586 PolarHBondContact O-OG1 2.76Å; Y583-T586 PolarHBondContact O-OG1 3.34Å; T586-T653 HydrophobicContact CG2-CG2 4.33Å; T586-K656 WeakPolarHBondContact O-CD 3.27Å; T586-K656 PolarHBondContact O-NZ 3.13Å
587C89.6Confident86Confident14 Ų1474 Ų7410%0.09540%0.404CS..PPolyproline II helixtrans-70.1152.2175.363.90000112.1V592 R649 L652 T653C587-V592 VanDerWaalsContact SG-CG2 3.5Å; C587-R649 PolarHBondContact SG-O 3.11Å; C587-R649 VanDerWaalsContact SG-O 3.4Å; C587-L652 HydrophobicContact CB-CB 3.6Å; C587-T653 PolarHBondContact N-OG1 3.2Å; C587-T653 VanDerWaalsContact N-OG1 3.09Å; C587-T653 PolarHBondContact SG-OG1 3.46Å; C587-T653 VanDerWaalsContact SG-OG1 3.33Å
588S91.1Very high86.7Confident51 Ų5173.5 Ų73.536%0.35740%0.4SS..PPolyproline II helixtrans-72150.4176.372.60000111.5A590 E591 V592S588-A590 PolarHBondContact O-N 2.93Å; S588-E591 VanDerWaalsContact CB-OE2 3.25Å; S588-E591 WeakPolarHBondContact CB-OE2 3.31Å; S588-E591 PolarHBondContact N-OE2 3.47Å; S588-E591 PolarHBondContact O-N 2.65Å; S588-E591 VanDerWaalsContact O-N 3.15Å; S588-E591 WeakPolarHBondContact OG-CG 3.44Å; S588-E591 PolarHBondContact OG-N 2.9Å; S588-E591 PolarHBondContact OG-OE2 3.37Å; S588-V592 PolarHBondContact O-N 2.69Å
589K91.1Very high87.6Confident147 Ų14776.4 Ų76.464%0.63942%0.416SS*.Hα-helixtrans-59.1-34.3176.3-178.4168.8179.2173.70112.7E591 V592 D593K589-E591 PolarHBondContact O-N 3.09Å; K589-V592 PolarHBondContact O-N 3.22Å; K589-D593 WeakPolarHBondContact CE-OD2 3.48Å; K589-D593 WeakPolarHBondContact CG-OD2 3.45Å; K589-D593 PolarHBondContact O-N 3.29Å
590A92.7Very high88.4Confident74 Ų7472.7 Ų72.761%0.61240%0.396SS*.Hα-helixtrans-64.2-36.9177.600000112.8S588 K594S588-A590 PolarHBondContact O-N 2.93Å; A590-K594 WeakPolarHBondContact O-CB 3.41Å; A590-K594 PolarHBondContact O-N 2.86Å; A590-K594 VanDerWaalsContact O-N 3.08Å
591E92.4Very high89.1Confident66 Ų6670.7 Ų70.731%0.30838%0.384SS..Hα-helixtrans-65.6-42.9172.2-69.7161.4111.400111S588 K589 K594 F595 L652S588-E591 VanDerWaalsContact CB-OE2 3.25Å; S588-E591 WeakPolarHBondContact CB-OE2 3.31Å; S588-E591 PolarHBondContact N-OE2 3.47Å; S588-E591 PolarHBondContact O-N 2.65Å; S588-E591 VanDerWaalsContact O-N 3.15Å; S588-E591 WeakPolarHBondContact OG-CG 3.44Å; S588-E591 PolarHBondContact OG-N 2.9Å; S588-E591 PolarHBondContact OG-OE2 3.37Å; K589-E591 PolarHBondContact O-N 3.09Å; E591-K594 WeakPolarHBondContact O-CB 3.08Å; E591-K594 PolarHBondContact O-N 2.8Å; E591-F595 WeakPolarHBondContact O-CD2 3.46Å; E591-F595 PolarHBondContact O-N 3.13Å; E591-L652 HydrophobicContact CB-CD1 4.07Å
592V94.6Very high89.9Confident3 Ų369.3 Ų69.32%0.01838%0.377CS..Hα-helixtrans-61.3-48.3177-177.50000111.2C587 S588 K589 K594 F595 K596 E645 C648 R649 L652C587-V592 VanDerWaalsContact SG-CG2 3.5Å; S588-V592 PolarHBondContact O-N 2.69Å; K589-V592 PolarHBondContact O-N 3.22Å; V592-K594 VanDerWaalsContact C-N 3.28Å; V592-K594 PolarHBondContact O-N 3.2Å; V592-F595 PolarHBondContact O-N 3.45Å; V592-K596 WeakPolarHBondContact O-CB 3.12Å; V592-K596 PolarHBondContact O-N 2.9Å; V592-E645 HydrophobicContact CG1-CG 3.66Å; V592-C648 HydrophobicContact CG1-CB 4.27Å; V592-R649 HydrophobicContact CG1-CB 4.31Å; V592-R649 HydrophobicContact CG2-CB 3.91Å; V592-R649 HydrophobicContact CG2-CG 3.92Å; V592-L652 HydrophobicContact CG2-CD1 4.12Å
593D94.3Very high90.6Very high69 Ų6967.7 Ų67.737%0.36937%0.365SS..Hα-helixtrans-63.2-33.8-180-73.6-33.9000111.7K589 A597K589-D593 WeakPolarHBondContact CE-OD2 3.48Å; K589-D593 WeakPolarHBondContact CG-OD2 3.45Å; K589-D593 PolarHBondContact O-N 3.29Å; D593-A597 WeakPolarHBondContact O-CB 3.39Å; D593-A597 PolarHBondContact O-N 3.28Å; D593-A597 VanDerWaalsContact O-N 3.13Å
594K93.9Very high91Very high116 Ų11663.8 Ų63.850%0.50436%0.363SS..Hα-helixtrans-59-54172.5-179.6-170.4178-176.80111.9A590 E591 V592 A597 A598 D621A590-K594 WeakPolarHBondContact O-CB 3.41Å; A590-K594 PolarHBondContact O-N 2.86Å; A590-K594 VanDerWaalsContact O-N 3.08Å; E591-K594 WeakPolarHBondContact O-CB 3.08Å; E591-K594 PolarHBondContact O-N 2.8Å; V592-K594 VanDerWaalsContact C-N 3.28Å; V592-K594 PolarHBondContact O-N 3.2Å; K594-A597 PolarHBondContact O-N 3.3Å; K594-A598 PolarHBondContact O-N 3.48Å; K594-A598 VanDerWaalsContact O-N 3.13Å; K594-D621 IonicContact NZ-OD2 2.96Å; K594-D621 PolarHBondContact NZ-OD2 3.25Å
595F92.4Very high91.4Very high8 Ų864 Ų644%0.03536%0.364CS..Hα-helixtrans-74.4-27.3-178.4-76.2-82.1000113.2E591 V592 A597 A598 D621 I624 L628 Y644 L652E591-F595 WeakPolarHBondContact O-CD2 3.46Å; E591-F595 PolarHBondContact O-N 3.13Å; V592-F595 PolarHBondContact O-N 3.45Å; F595-A597 VanDerWaalsContact C-N 3.3Å; F595-A597 PolarHBondContact O-N 3.4Å; F595-A598 PolarHBondContact O-N 3.35Å; F595-D621 HydrophobicContact CE1-CB 4.4Å; F595-D621 HydrophobicContact CZ-CB 3.85Å; F595-I624 HydrophobicContact CD1-CB 4.49Å; F595-I624 HydrophobicContact CD1-CG2 3.67Å; F595-I624 HydrophobicContact CD2-CG2 4.36Å; F595-I624 HydrophobicContact CE1-CB 3.86Å; F595-I624 HydrophobicContact CE1-CG2 3.51Å; F595-I624 HydrophobicContact CE2-CG2 4.23Å; F595-I624 HydrophobicContact CG-CG2 4.09Å; F595-I624 HydrophobicContact CZ-CB 3.98Å; F595-I624 HydrophobicContact CZ-CG2 3.81Å; F595-L628 HydrophobicContact CB-CD1 4.4Å; F595-L628 HydrophobicContact CD1-CD1 4.35Å; F595-Y644 PolarHBondContact O-OH 3.36Å; F595-L652 HydrophobicContact CD2-CD1 3.97Å; F595-L652 HydrophobicContact CD2-CD2 3.83Å; F595-L652 HydrophobicContact CD2-CG 4.37Å; F595-L652 HydrophobicContact CE2-CD2 3.72Å
596K92.8Very high91.7Very high93 Ų9364.3 Ų64.340%0.40436%0.364SS..Hα-helixtrans-64.3-33.4172-176.5178177.2-178.30112.5V592 E645V592-K596 WeakPolarHBondContact O-CB 3.12Å; V592-K596 PolarHBondContact O-N 2.9Å; K596-E645 HydrophobicContact CD-CB 4.31Å; K596-E645 HydrophobicContact CD-CG 4.24Å; K596-E645 IonicContact NZ-OE2 2.73Å; K596-E645 PolarHBondContact NZ-OE2 3.01Å
597A91.8Very high91.9Very high89 Ų8964.9 Ų64.974%0.73637%0.372SS*.Hα-helixtrans-92.2-8.817700000114.2D593 K594 F595D593-A597 WeakPolarHBondContact O-CB 3.39Å; D593-A597 PolarHBondContact O-N 3.28Å; D593-A597 VanDerWaalsContact O-N 3.13Å; K594-A597 PolarHBondContact O-N 3.3Å; F595-A597 VanDerWaalsContact C-N 3.3Å; F595-A597 PolarHBondContact O-N 3.4Å
598A90.5Very high92Very high39 Ų3964.2 Ų64.232%0.32237%0.367SS..SBendtrans-72.5139.6-178.600000111.9K594 F595K594-A598 PolarHBondContact O-N 3.48Å; K594-A598 VanDerWaalsContact O-N 3.13Å; F595-A598 PolarHBondContact O-N 3.35Å
599N90.3Very high92.1Very high152 Ų15264.8 Ų64.881%0.81337%0.366SS*.PPolyproline II helixtrans-77.7121167.6-174.246.4000109.1P601N599-P601 WeakPolarHBondContact O-CD 3.43Å
600I92.9Very high92.1Very high17 Ų1761.3 Ų61.39%0.08736%0.355CS..PPolyproline II helixtrans-85.5117.9-177.8-54.3-58.2000109.2T625 L628 R629 M632I600-T625 HydrophobicContact CD1-CG2 3.96Å; I600-T625 HydrophobicContact CG2-CG2 4.3Å; I600-L628 HydrophobicContact CD1-CB 4.35Å; I600-L628 HydrophobicContact CD1-CD1 3.99Å; I600-R629 HydrophobicContact CG2-CB 3.77Å; I600-R629 HydrophobicContact CG2-CG 4.47Å; I600-M632 HydrophobicContact CB-SD 4.44Å; I600-M632 HydrophobicContact CG1-CE 3.88Å; I600-M632 HydrophobicContact CG1-SD 4.45Å; I600-M632 HydrophobicContact CG2-SD 4.39Å
601P93.1Very high92Very high33 Ų3358.3 Ų58.321%0.21433%0.328CS..PPolyproline II helixtrans-57.8164.7178.8-27.238.2000114.1N599 E605 L606 T625 R629N599-P601 WeakPolarHBondContact O-CD 3.43Å; P601-E605 HydrophobicContact CB-CB 4.17Å; P601-E605 WeakPolarHBondContact CB-OE2 3.13Å; P601-L606 HydrophobicContact CB-CD1 4.08Å; P601-L606 HydrophobicContact CB-CD2 4.09Å; P601-L606 HydrophobicContact CB-CG 3.91Å; P601-L606 HydrophobicContact CG-CD2 4.2Å; P601-L606 HydrophobicContact CG-CG 4.5Å; P601-T625 HydrophobicContact CG-CG2 4.28Å; P601-R629 WeakPolarHBondContact O-CD 3.43Å; P601-R629 PolarHBondContact O-NH1 3.48Å
602L92.8Very high91.9Very high84 Ų8458.3 Ų58.344%0.4433%0.328SS..PPolyproline II helixtrans-74.9156173.8-60.2-177.4000111.4S604 E605 L606L602-S604 VanDerWaalsContact C-N 3.26Å; L602-S604 PolarHBondContact O-N 3.18Å; L602-E605 HydrophobicContact CB-CG 4.22Å; L602-E605 PolarHBondContact N-OE2 3.17Å; L602-E605 WeakPolarHBondContact O-CB 3.38Å; L602-E605 PolarHBondContact O-N 3.3Å; L602-L606 PolarHBondContact O-N 2.81Å
603V92.1Very high91.9Very high17 Ų1758.6 Ų58.610%0.10333%0.329CS..Hα-helixtrans-51.2-46.2176.7169.70000111.7E605 L606 A607 I608 D609 R629 E633 F677V603-E605 VanDerWaalsContact C-N 3.27Å; V603-E605 PolarHBondContact O-N 3.35Å; V603-L606 CarbonylContact O-C 3.56Å; V603-L606 PolarHBondContact O-N 3.37Å; V603-L606 VanDerWaalsContact O-N 3.14Å; V603-A607 PolarHBondContact O-N 2.72Å; V603-I608 HydrophobicContact CB-CG1 4.41Å; V603-I608 HydrophobicContact CG1-CG1 3.97Å; V603-I608 HydrophobicContact CG2-CD1 4.39Å; V603-I608 HydrophobicContact CG2-CG1 4.45Å; V603-D609 HydrophobicContact CG1-CB 3.6Å; V603-D609 VanDerWaalsContact CG1-CG 3.46Å; V603-D609 WeakPolarHBondContact CG1-OD1 3.3Å; V603-R629 HydrophobicContact CG2-CG 3.9Å; V603-E633 HydrophobicContact CG2-CB 4.23Å; V603-E633 HydrophobicContact CG2-CG 3.83Å; V603-E633 VanDerWaalsContact CG2-OE2 3.29Å; V603-E633 WeakPolarHBondContact CG2-OE2 3.36Å; V603-F677 HydrophobicContact CG1-CE1 4.45Å; V603-F677 HydrophobicContact CG2-CZ 4.26Å
604S88.8Confident91.8Very high93 Ų9358.2 Ų58.265%0.6533%0.327SS*.Hα-helixtrans-66.4-21.8179.355.60000114.8L602L602-S604 VanDerWaalsContact C-N 3.26Å; L602-S604 PolarHBondContact O-N 3.18Å
605E89.8Confident91.5Very high128 Ų12852.9 Ų52.960%0.59830%0.304SS*.Hα-helixtrans-82-25.6176-67.3166.4-15500111.4P601 L602 V603P601-E605 HydrophobicContact CB-CB 4.17Å; P601-E605 WeakPolarHBondContact CB-OE2 3.13Å; L602-E605 HydrophobicContact CB-CG 4.22Å; L602-E605 PolarHBondContact N-OE2 3.17Å; L602-E605 WeakPolarHBondContact O-CB 3.38Å; L602-E605 PolarHBondContact O-N 3.3Å; V603-E605 VanDerWaalsContact C-N 3.27Å; V603-E605 PolarHBondContact O-N 3.35Å
606L90.5Very high91.4Very high24 Ų2455.8 Ų55.813%0.12632%0.317CS..Hα-helixtrans-99.4-9.9178.5-59.1171.7000113P601 L602 V603 I608 F613 A626 R629P601-L606 HydrophobicContact CB-CD1 4.08Å; P601-L606 HydrophobicContact CB-CD2 4.09Å; P601-L606 HydrophobicContact CB-CG 3.91Å; P601-L606 HydrophobicContact CG-CD2 4.2Å; P601-L606 HydrophobicContact CG-CG 4.5Å; L602-L606 PolarHBondContact O-N 2.81Å; V603-L606 CarbonylContact O-C 3.56Å; V603-L606 PolarHBondContact O-N 3.37Å; V603-L606 VanDerWaalsContact O-N 3.14Å; L606-I608 HydrophobicContact CB-CG1 4.32Å; L606-I608 HydrophobicContact CB-CG2 3.78Å; L606-I608 HydrophobicContact CD1-CD1 4.39Å; L606-I608 PolarHBondContact O-N 2.78Å; L606-I608 VanDerWaalsContact O-N 3.16Å; L606-F613 WeakPolarHBondContact O-CE2 3.37Å; L606-A626 HydrophobicContact CD1-CB 4.1Å; L606-R629 HydrophobicContact CD1-CB 4.35Å
607A91.6Very high91.2Very high45 Ų4555.1 Ų55.137%0.37232%0.324SS..THydrogen-bonded Turntrans53.526.4-175.200000114.9V603 D609 D610 F613V603-A607 PolarHBondContact O-N 2.72Å; A607-D609 VanDerWaalsContact C-N 3.27Å; A607-D609 PolarHBondContact O-N 3.46Å; A607-D610 WeakPolarHBondContact O-CB 3.48Å; A607-D610 PolarHBondContact O-N 2.98Å; A607-F613 WeakPolarHBondContact O-CD2 3.49Å
608I93.4Very high91.3Very high0 Ų052 Ų520%030%0.295CS..THydrogen-bonded Turntrans-77-8.5-172.857.6176000114.3V603 L606 F613 A626 R629 M630 Q674 F677V603-I608 HydrophobicContact CB-CG1 4.41Å; V603-I608 HydrophobicContact CG1-CG1 3.97Å; V603-I608 HydrophobicContact CG2-CD1 4.39Å; V603-I608 HydrophobicContact CG2-CG1 4.45Å; L606-I608 HydrophobicContact CB-CG1 4.32Å; L606-I608 HydrophobicContact CB-CG2 3.78Å; L606-I608 HydrophobicContact CD1-CD1 4.39Å; L606-I608 PolarHBondContact O-N 2.78Å; L606-I608 VanDerWaalsContact O-N 3.16Å; I608-F613 HydrophobicContact CG2-CE2 4.08Å; I608-F613 HydrophobicContact CG2-CZ 4.41Å; I608-A626 HydrophobicContact CG2-CB 4.03Å; I608-R629 HydrophobicContact CD1-CB 4.12Å; I608-R629 HydrophobicContact CD1-CG 4.04Å; I608-M630 HydrophobicContact CB-CE 4.18Å; I608-M630 HydrophobicContact CD1-CE 4.26Å; I608-M630 HydrophobicContact CD1-CG 3.99Å; I608-M630 HydrophobicContact CG2-CE 4.22Å; I608-Q674 HydrophobicContact CB-CG 4.35Å; I608-Q674 PolarHBondContact O-NE2 2.85Å; I608-F677 HydrophobicContact CD1-CE1 4.3Å; I608-F677 HydrophobicContact CG1-CE1 4Å; I608-F677 WeakPolarHBondContact O-CD1 3.49Å
609D92Very high91.5Very high64 Ų6455.1 Ų55.134%0.34231%0.306SS..THydrogen-bonded Turntrans-84.5-11.9170.256.7-32000113.7V603 A607 F677 T682V603-D609 HydrophobicContact CG1-CB 3.6Å; V603-D609 VanDerWaalsContact CG1-CG 3.46Å; V603-D609 WeakPolarHBondContact CG1-OD1 3.3Å; A607-D609 VanDerWaalsContact C-N 3.27Å; A607-D609 PolarHBondContact O-N 3.46Å; D609-F677 HydrophobicContact CB-CE1 4.43Å; D609-T682 PolarHBondContact O-OG1 3.37Å
610D92Very high91.6Very high73 Ų7351 Ų5139%0.3929%0.286SS..  trans-76131.2175.9-167.8-2.7000111.5A607 H612 F613 Q674A607-D610 WeakPolarHBondContact O-CB 3.48Å; A607-D610 PolarHBondContact O-N 2.98Å; D610-H612 VanDerWaalsContact C-N 3.28Å; D610-H612 PolarHBondContact OD1-N 3.05Å; D610-F613 HydrophobicContact CB-CB 4.41Å; D610-F613 WeakPolarHBondContact O-CB 3.28Å; D610-F613 PolarHBondContact O-N 3.06Å; D610-Q674 PolarHBondContact O-NE2 3.01Å
611I89.6Confident91.7Very high12 Ų1253.1 Ų53.16%0.06230%0.298CS..THydrogen-bonded Turntrans-66.3-35.6173.1-68.5175.5000110.1F613 L675 A678 K822 M894I611-F613 VanDerWaalsContact C-N 3.25Å; I611-F613 PolarHBondContact O-N 3.15Å; I611-L675 HydrophobicContact CG2-CD1 4.46Å; I611-A678 HydrophobicContact CG1-CB 4.37Å; I611-K822 PolarHBondContact O-NZ 3.15Å; I611-M894 HydrophobicContact CD1-CG 4.37Å; I611-M894 HydrophobicContact CG2-CG 3.37Å; I611-M894 HydrophobicContact CG2-SD 4.22Å
612H91.1Very high91.7Very high66 Ų6652.7 Ų52.731%0.30630%0.297SS..THydrogen-bonded Turntrans-82.33.8179.3-66.5118000114.2D610 D614 P823 S897D610-H612 VanDerWaalsContact C-N 3.28Å; D610-H612 PolarHBondContact OD1-N 3.05Å; H612-D614 PolarHBondContact O-N 2.97Å; H612-P823 HydrophobicContact CB-CG 4.21Å; H612-S897 PolarHBondContact NE2-OG 2.95Å
613F93.6Very high91.9Very high9 Ų948.8 Ų48.84%0.03928%0.276CS..  trans-43.3130.5179.9171-96.3000113.9L606 A607 I608 D610 I611 D615 L618 F670 Q674 K822L606-F613 WeakPolarHBondContact O-CE2 3.37Å; A607-F613 WeakPolarHBondContact O-CD2 3.49Å; I608-F613 HydrophobicContact CG2-CE2 4.08Å; I608-F613 HydrophobicContact CG2-CZ 4.41Å; D610-F613 HydrophobicContact CB-CB 4.41Å; D610-F613 WeakPolarHBondContact O-CB 3.28Å; D610-F613 PolarHBondContact O-N 3.06Å; I611-F613 VanDerWaalsContact C-N 3.25Å; I611-F613 PolarHBondContact O-N 3.15Å; F613-D615 HydrophobicContact CD1-CB 4.45Å; F613-D615 VanDerWaalsContact CE1-CA 3.5Å; F613-D615 HydrophobicContact CE1-CB 3.77Å; F613-L618 HydrophobicContact CE2-CD1 4.28Å; F613-L618 HydrophobicContact CE2-CG 4.48Å; F613-L618 HydrophobicContact CZ-CD1 3.7Å; F613-L618 HydrophobicContact CZ-CG 3.99Å; F613-F670 AromaticContact CE1-CE1 3.88Å; F613-F670 HydrophobicContact CE1-CE1 3.88Å; F613-F670 HydrophobicContact CZ-CE1 4.07Å; F613-F670 HydrophobicContact CZ-CZ 4.49Å; F613-Q674 VanDerWaalsContact CD1-CD 3.47Å; F613-Q674 HydrophobicContact CD1-CG 3.64Å; F613-Q674 VanDerWaalsContact CD1-OE1 3.32Å; F613-Q674 HydrophobicContact CE1-CG 3.99Å; F613-Q674 HydrophobicContact CG-CG 4.1Å; F613-K822 PolarHBondContact O-NZ 3.21Å
614D91.8Very high92.1Very high61 Ų6148 Ų4833%0.32627%0.272SS..  trans-94.6105.3176.8178.916.9000111.1H612 F616 S617 I826H612-D614 PolarHBondContact O-N 2.97Å; D614-F616 VanDerWaalsContact C-N 3.29Å; D614-F616 PolarHBondContact O-N 3.24Å; D614-F616 WeakPolarHBondContact OD1-CB 3.44Å; D614-F616 PolarHBondContact OD1-N 3.32Å; D614-S617 WeakPolarHBondContact O-CB 3.31Å; D614-S617 PolarHBondContact O-N 3.07Å; D614-S617 PolarHBondContact O-OG 3.13Å; D614-I826 HydrophobicContact CB-CD1 3.61Å
615D87.8Confident92.4Very high4 Ų444.5 Ų44.52%0.02125%0.247CC..G310 helixtrans-69.6-25.2177.868.3-86.2000112.9F613 S617 L618 R667 N671F613-D615 HydrophobicContact CD1-CB 4.45Å; F613-D615 VanDerWaalsContact CE1-CA 3.5Å; F613-D615 HydrophobicContact CE1-CB 3.77Å; D615-S617 PolarHBondContact O-N 2.7Å; D615-L618 PolarHBondContact O-N 2.94Å; D615-R667 PolarHBondContact O-NH1 3.41Å; D615-R667 WeakPolarHBondContact OD2-CD 3.41Å; D615-R667 WeakPolarHBondContact OD2-CG 3.09Å; D615-R667 IonicContact OD2-CZ 3.66Å; D615-R667 IonicContact OD2-NE 2.8Å; D615-R667 IonicContact OD2-NH1 3.65Å; D615-R667 PolarHBondContact OD2-NH1 2.95Å; D615-N671 PolarHBondContact OD1-ND2 3.13Å
616F91.1Very high92.7Very high68 Ų6838.4 Ų38.430%0.29822%0.218SC..G310 helixtrans-65.1-18.5179.4-65.5-73.5000112.9D614 L618 R667 I826 Q829 V830 L833D614-F616 VanDerWaalsContact C-N 3.29Å; D614-F616 PolarHBondContact O-N 3.24Å; D614-F616 WeakPolarHBondContact OD1-CB 3.44Å; D614-F616 PolarHBondContact OD1-N 3.32Å; F616-L618 VanDerWaalsContact C-N 3.25Å; F616-L618 PolarHBondContact O-N 2.89Å; F616-R667 VanDerWaalsContact CA-NH1 3.34Å; F616-I826 HydrophobicContact CD2-CG2 4.18Å; F616-I826 HydrophobicContact CE2-CG2 3.99Å; F616-Q829 HydrophobicContact CE2-CB 4.25Å; F616-Q829 HydrophobicContact CZ-CB 4.26Å; F616-V830 HydrophobicContact CE2-CG2 4.1Å; F616-V830 HydrophobicContact CZ-CG2 4.12Å; F616-L833 HydrophobicContact CZ-CD1 4.36Å
617S89.7Confident93.1Very high79 Ų7937.3 Ų37.355%0.55221%0.212SC*.G310 helixtrans-66.4-21.8170.7730000114.2D614 D615D614-S617 WeakPolarHBondContact O-CB 3.31Å; D614-S617 PolarHBondContact O-N 3.07Å; D614-S617 PolarHBondContact O-OG 3.13Å; D615-S617 PolarHBondContact O-N 2.7Å
618L93Very high93.3Very high25 Ų2535.1 Ų35.113%0.13119%0.194CC..  trans-103.5142.4-176.5-58.8-165.5000113.3F613 D615 F616 A622 M623 A626 R667 F670F613-L618 HydrophobicContact CE2-CD1 4.28Å; F613-L618 HydrophobicContact CE2-CG 4.48Å; F613-L618 HydrophobicContact CZ-CD1 3.7Å; F613-L618 HydrophobicContact CZ-CG 3.99Å; D615-L618 PolarHBondContact O-N 2.94Å; F616-L618 VanDerWaalsContact C-N 3.25Å; F616-L618 PolarHBondContact O-N 2.89Å; L618-A622 HydrophobicContact CB-CB 4.07Å; L618-A622 HydrophobicContact CD1-CB 4.38Å; L618-A622 HydrophobicContact CD2-CB 4.08Å; L618-A622 HydrophobicContact CG-CB 4.4Å; L618-M623 HydrophobicContact CB-CE 4.41Å; L618-M623 HydrophobicContact CB-CG 4.1Å; L618-M623 HydrophobicContact CD1-CG 4.48Å; L618-A626 HydrophobicContact CD1-CB 4.34Å; L618-R667 PolarHBondContact O-NH2 3.47Å; L618-F670 HydrophobicContact CD1-CE1 4.18Å; L618-F670 HydrophobicContact CD1-CZ 4.09Å
619D94.3Very high93.5Very high104 Ų10437.3 Ų37.356%0.55620%0.203SC*.  trans-84.6176.4163.777.117.2000112D621 A622 M623D619-D621 VanDerWaalsContact C-N 3.31Å; D619-D621 PolarHBondContact O-N 3.41Å; D619-D621 PolarHBondContact OD1-N 3.05Å; D619-A622 PolarHBondContact O-N 3.33Å; D619-A622 WeakPolarHBondContact OD1-CB 3.44Å; D619-A622 PolarHBondContact OD1-N 3.25Å; D619-M623 VanDerWaalsContact O-CG 3.31Å; D619-M623 WeakPolarHBondContact O-CG 3.44Å; D619-M623 PolarHBondContact O-N 3.18Å
620V92.9Very high93.8Very high65 Ų6534.3 Ų34.339%0.39419%0.186SC..Hα-helixtrans-63.8-35.2-175.3-179.40000112.3M623 I624 R655V620-M623 PolarHBondContact O-N 3.17Å; V620-I624 WeakPolarHBondContact O-CG1 3.47Å; V620-I624 PolarHBondContact O-N 3.5Å; V620-I624 VanDerWaalsContact O-N 3.14Å; V620-R655 HydrophobicContact CG1-CG 4.21Å
621D93.9Very high94Very high61 Ų6130.8 Ų30.833%0.32617%0.168SC..Hα-helixtrans-77.1-36.6-178.4-79.55.5000111.2K594 F595 D619 I624 T625K594-D621 IonicContact NZ-OD2 2.96Å; K594-D621 PolarHBondContact NZ-OD2 3.25Å; F595-D621 HydrophobicContact CE1-CB 4.4Å; F595-D621 HydrophobicContact CZ-CB 3.85Å; D619-D621 VanDerWaalsContact C-N 3.31Å; D619-D621 PolarHBondContact O-N 3.41Å; D619-D621 PolarHBondContact OD1-N 3.05Å; D621-I624 PolarHBondContact O-N 3.4Å; D621-T625 WeakPolarHBondContact O-CB 3.22Å; D621-T625 PolarHBondContact O-N 2.86Å; D621-T625 PolarHBondContact O-OG1 3.35Å
622A94.2Very high94.3Very high25 Ų2532.8 Ų32.821%0.20718%0.177CC..Hα-helixtrans-64.4-38.2171.200000111.6L618 D619 T625 A626L618-A622 HydrophobicContact CB-CB 4.07Å; L618-A622 HydrophobicContact CD1-CB 4.38Å; L618-A622 HydrophobicContact CD2-CB 4.08Å; L618-A622 HydrophobicContact CG-CB 4.4Å; D619-A622 PolarHBondContact O-N 3.33Å; D619-A622 WeakPolarHBondContact OD1-CB 3.44Å; D619-A622 PolarHBondContact OD1-N 3.25Å; A622-T625 WeakPolarHBondContact O-CB 3.28Å; A622-T625 PolarHBondContact O-N 3.49Å; A622-A626 VanDerWaalsContact O-CB 3.28Å; A622-A626 WeakPolarHBondContact O-CB 3.4Å; A622-A626 PolarHBondContact O-N 2.9Å
623M96.5Very high94.5Very high1 Ų133.9 Ų33.91%0.00518%0.183CC..Hα-helixtrans-62.9-43.3172.3-71.1177.1-178.700113L618 D619 V620 T625 A626 A627 R667 F670L618-M623 HydrophobicContact CB-CE 4.41Å; L618-M623 HydrophobicContact CB-CG 4.1Å; L618-M623 HydrophobicContact CD1-CG 4.48Å; D619-M623 VanDerWaalsContact O-CG 3.31Å; D619-M623 WeakPolarHBondContact O-CG 3.44Å; D619-M623 PolarHBondContact O-N 3.18Å; V620-M623 PolarHBondContact O-N 3.17Å; M623-T625 VanDerWaalsContact C-N 3.32Å; M623-T625 PolarHBondContact O-N 2.98Å; M623-A626 PolarHBondContact O-N 3.24Å; M623-A627 WeakPolarHBondContact O-CB 3.49Å; M623-A627 PolarHBondContact O-N 2.87Å; M623-R667 HydrophobicContact CE-CB 4.18Å; M623-R667 HydrophobicContact CE-CG 3.91Å; M623-F670 HydrophobicContact CB-CD1 4.16Å; M623-F670 HydrophobicContact CB-CD2 3.88Å; M623-F670 HydrophobicContact CB-CE1 4.33Å; M623-F670 HydrophobicContact CB-CE2 4.07Å; M623-F670 HydrophobicContact CB-CG 3.92Å; M623-F670 HydrophobicContact CB-CZ 4.3Å; M623-F670 HydrophobicContact CE-CD1 4.18Å; M623-F670 HydrophobicContact CG-CD1 3.6Å; M623-F670 HydrophobicContact CG-CD2 4.25Å; M623-F670 HydrophobicContact CG-CE1 3.76Å; M623-F670 HydrophobicContact CG-CE2 4.4Å; M623-F670 HydrophobicContact CG-CG 3.86Å; M623-F670 HydrophobicContact CG-CZ 4.17Å; M623-F670 VanDerWaalsContact O-CE2 3.23Å; M623-F670 WeakPolarHBondContact O-CE2 3.42Å; M623-F670 HydrophobicContact SD-CB 4.26Å; M623-F670 HydrophobicContact SD-CD1 3.95Å; M623-F670 HydrophobicContact SD-CG 4.13Å
624I96.4Very high94.6Very high1 Ų133.8 Ų33.81%0.00518%0.183CC..Hα-helixtrans-60.5-45.8174.3-68.4-71.6000110F595 V620 D621 A626 A627 L628 L651 L652 R655 W666F595-I624 HydrophobicContact CD1-CB 4.49Å; F595-I624 HydrophobicContact CD1-CG2 3.67Å; F595-I624 HydrophobicContact CD2-CG2 4.36Å; F595-I624 HydrophobicContact CE1-CB 3.86Å; F595-I624 HydrophobicContact CE1-CG2 3.51Å; F595-I624 HydrophobicContact CE2-CG2 4.23Å; F595-I624 HydrophobicContact CG-CG2 4.09Å; F595-I624 HydrophobicContact CZ-CB 3.98Å; F595-I624 HydrophobicContact CZ-CG2 3.81Å; V620-I624 WeakPolarHBondContact O-CG1 3.47Å; V620-I624 PolarHBondContact O-N 3.5Å; V620-I624 VanDerWaalsContact O-N 3.14Å; D621-I624 PolarHBondContact O-N 3.4Å; I624-A626 PolarHBondContact O-N 3.31Å; I624-A627 PolarHBondContact O-N 3.08Å; I624-L628 HydrophobicContact CG2-CD1 4.3Å; I624-L628 WeakPolarHBondContact O-CG 3.33Å; I624-L628 PolarHBondContact O-N 2.99Å; I624-L651 HydrophobicContact CD1-CD2 4.32Å; I624-L651 HydrophobicContact CD1-CG 3.93Å; I624-L651 HydrophobicContact CG2-CD2 4.04Å; I624-L652 HydrophobicContact CD1-CD2 4.14Å; I624-L652 HydrophobicContact CG1-CD2 4.18Å; I624-L652 HydrophobicContact CG2-CD2 4.08Å; I624-R655 HydrophobicContact CD1-CB 3.79Å; I624-R655 HydrophobicContact CD1-CG 4.01Å; I624-W666 HydrophobicContact CD1-CH2 4.23Å; I624-W666 HydrophobicContact CD1-CZ2 3.66Å; I624-W666 HydrophobicContact CG1-CZ2 4.4Å
625T95.6Very high94.8Very high20 Ų2031.6 Ų31.612%0.12318%0.175CC..Hα-helixtrans-60.9-43.1178.2-58.80000112.1I600 P601 D621 A622 M623 L628 R629I600-T625 HydrophobicContact CD1-CG2 3.96Å; I600-T625 HydrophobicContact CG2-CG2 4.3Å; P601-T625 HydrophobicContact CG-CG2 4.28Å; D621-T625 WeakPolarHBondContact O-CB 3.22Å; D621-T625 PolarHBondContact O-N 2.86Å; D621-T625 PolarHBondContact O-OG1 3.35Å; A622-T625 WeakPolarHBondContact O-CB 3.28Å; A622-T625 PolarHBondContact O-N 3.49Å; M623-T625 VanDerWaalsContact C-N 3.32Å; M623-T625 PolarHBondContact O-N 2.98Å; T625-L628 PolarHBondContact O-N 3.15Å; T625-R629 PolarHBondContact O-N 3.42Å
626A96.6Very high95.2Very high0 Ų031.5 Ų31.50%017%0.174CC..Hα-helixtrans-64.8-44.1175.100000112.5L606 I608 L618 A622 M623 I624 R629 M630 F670L606-A626 HydrophobicContact CD1-CB 4.1Å; I608-A626 HydrophobicContact CG2-CB 4.03Å; L618-A626 HydrophobicContact CD1-CB 4.34Å; A622-A626 VanDerWaalsContact O-CB 3.28Å; A622-A626 WeakPolarHBondContact O-CB 3.4Å; A622-A626 PolarHBondContact O-N 2.9Å; M623-A626 PolarHBondContact O-N 3.24Å; I624-A626 PolarHBondContact O-N 3.31Å; A626-R629 WeakPolarHBondContact O-CA 3.41Å; A626-R629 WeakPolarHBondContact O-CB 3.21Å; A626-R629 PolarHBondContact O-N 3.38Å; A626-R629 VanDerWaalsContact O-N 3.07Å; A626-M630 HydrophobicContact CB-CE 4.48Å; A626-M630 WeakPolarHBondContact O-CG 3.5Å; A626-M630 PolarHBondContact O-N 3.02Å; A626-F670 HydrophobicContact CB-CE2 3.66Å; A626-F670 HydrophobicContact CB-CZ 3.62Å
627A97.5Very high95.4Very high0 Ų029.2 Ų29.20%017%0.165CC..Hα-helixtrans-63.5-41.2175.700000111.7M623 I624 R629 M630 F631 L651 F670M623-A627 WeakPolarHBondContact O-CB 3.49Å; M623-A627 PolarHBondContact O-N 2.87Å; I624-A627 PolarHBondContact O-N 3.08Å; A627-R629 VanDerWaalsContact C-N 3.28Å; A627-R629 PolarHBondContact O-N 3.01Å; A627-M630 PolarHBondContact O-N 3.2Å; A627-F631 WeakPolarHBondContact O-CD2 3.16Å; A627-F631 PolarHBondContact O-N 2.73Å; A627-L651 HydrophobicContact CB-CD1 4.08Å; A627-L651 HydrophobicContact CB-CD2 3.92Å; A627-F670 HydrophobicContact CB-CD2 4.33Å; A627-F670 HydrophobicContact CB-CE2 4.35Å
628L97.1Very high95.6Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-57.2-42.1169.7-69.9173000111.3F595 I600 I624 T625 M630 F631 M632 Y644 L647 L651F595-L628 HydrophobicContact CB-CD1 4.4Å; F595-L628 HydrophobicContact CD1-CD1 4.35Å; I600-L628 HydrophobicContact CD1-CB 4.35Å; I600-L628 HydrophobicContact CD1-CD1 3.99Å; I624-L628 HydrophobicContact CG2-CD1 4.3Å; I624-L628 WeakPolarHBondContact O-CG 3.33Å; I624-L628 PolarHBondContact O-N 2.99Å; T625-L628 PolarHBondContact O-N 3.15Å; L628-M630 PolarHBondContact O-N 2.67Å; L628-F631 PolarHBondContact O-N 2.72Å; L628-M632 WeakPolarHBondContact O-CG 3.46Å; L628-M632 PolarHBondContact O-N 3.48Å; L628-M632 VanDerWaalsContact O-N 3.16Å; L628-Y644 HydrophobicContact CD2-CE2 4.28Å; L628-L647 HydrophobicContact CD2-CD2 3.99Å; L628-L647 HydrophobicContact CD2-CG 3.9Å; L628-L651 HydrophobicContact CD2-CD2 3.67Å; L628-L651 HydrophobicContact CG-CD2 3.66Å
629R96.8Very high95.6Very high46 Ų4635.2 Ų35.217%0.17418%0.182CC..Hα-helixtrans-62.3-40.6176.2-176.256.5-171.7-14311.9112.6I600 P601 V603 L606 I608 T625 A626 A627 F631 M632 E633I600-R629 HydrophobicContact CG2-CB 3.77Å; I600-R629 HydrophobicContact CG2-CG 4.47Å; P601-R629 WeakPolarHBondContact O-CD 3.43Å; P601-R629 PolarHBondContact O-NH1 3.48Å; V603-R629 HydrophobicContact CG2-CG 3.9Å; L606-R629 HydrophobicContact CD1-CB 4.35Å; I608-R629 HydrophobicContact CD1-CB 4.12Å; I608-R629 HydrophobicContact CD1-CG 4.04Å; T625-R629 PolarHBondContact O-N 3.42Å; A626-R629 WeakPolarHBondContact O-CA 3.41Å; A626-R629 WeakPolarHBondContact O-CB 3.21Å; A626-R629 PolarHBondContact O-N 3.38Å; A626-R629 VanDerWaalsContact O-N 3.07Å; A627-R629 VanDerWaalsContact C-N 3.28Å; A627-R629 PolarHBondContact O-N 3.01Å; R629-F631 VanDerWaalsContact C-N 3.34Å; R629-F631 PolarHBondContact O-N 2.95Å; R629-M632 PolarHBondContact O-N 3.26Å; R629-M632 VanDerWaalsContact O-N 3.15Å; R629-E633 IonicContact CZ-OE2 2.93Å; R629-E633 IonicContact NE-OE2 2.66Å; R629-E633 PolarHBondContact NE-OE2 3.06Å; R629-E633 IonicContact NH2-OE2 2.77Å; R629-E633 PolarHBondContact NH2-OE2 3.48Å; R629-E633 WeakPolarHBondContact O-CB 3.3Å; R629-E633 PolarHBondContact O-N 3.23Å
630M97.7Very high95.7Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-58.4-43.8177.2-63.4169.3-163.200111.8I608 A626 A627 L628 M632 E633 L634 F670 Q674 F677I608-M630 HydrophobicContact CB-CE 4.18Å; I608-M630 HydrophobicContact CD1-CE 4.26Å; I608-M630 HydrophobicContact CD1-CG 3.99Å; I608-M630 HydrophobicContact CG2-CE 4.22Å; A626-M630 HydrophobicContact CB-CE 4.48Å; A626-M630 WeakPolarHBondContact O-CG 3.5Å; A626-M630 PolarHBondContact O-N 3.02Å; A627-M630 PolarHBondContact O-N 3.2Å; L628-M630 PolarHBondContact O-N 2.67Å; M630-M632 VanDerWaalsContact C-N 3.35Å; M630-M632 PolarHBondContact O-N 3.07Å; M630-E633 PolarHBondContact O-N 3.29Å; M630-L634 WeakPolarHBondContact O-CB 3.35Å; M630-L634 WeakPolarHBondContact O-CG 3.36Å; M630-L634 PolarHBondContact O-N 3.16Å; M630-L634 VanDerWaalsContact O-N 3.12Å; M630-F670 HydrophobicContact CE-CE2 3.69Å; M630-F670 HydrophobicContact CE-CZ 3.94Å; M630-Q674 HydrophobicContact CE-CB 3.72Å; M630-Q674 HydrophobicContact CE-CG 3.99Å; M630-F677 HydrophobicContact CB-CB 4.48Å; M630-F677 HydrophobicContact CB-CD2 3.77Å; M630-F677 HydrophobicContact CB-CE2 4.24Å; M630-F677 HydrophobicContact CB-CG 4.13Å; M630-F677 HydrophobicContact CG-CB 4.03Å; M630-F677 HydrophobicContact CG-CD1 4.06Å; M630-F677 HydrophobicContact CG-CD2 3.82Å; M630-F677 HydrophobicContact CG-CE2 4.31Å; M630-F677 HydrophobicContact CG-CG 3.68Å; M630-F677 HydrophobicContact SD-CB 3.99Å; M630-F677 HydrophobicContact SD-CG 4.28Å
631F97.4Very high95.9Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-64.2-36.7175.7-86-98000113A627 L628 R629 M636 V637 L647 W650 L695 I698 V699 L702A627-F631 WeakPolarHBondContact O-CD2 3.16Å; A627-F631 PolarHBondContact O-N 2.73Å; L628-F631 PolarHBondContact O-N 2.72Å; R629-F631 VanDerWaalsContact C-N 3.34Å; R629-F631 PolarHBondContact O-N 2.95Å; F631-M636 HydrophobicContact CD1-CB 4.09Å; F631-M636 PolarHBondContact O-N 3.46Å; F631-M636 VanDerWaalsContact O-N 3.09Å; F631-V637 HydrophobicContact CB-CG2 4.15Å; F631-L647 HydrophobicContact CB-CD2 4.04Å; F631-L647 HydrophobicContact CD1-CD1 3.95Å; F631-L647 HydrophobicContact CD1-CD2 4.5Å; F631-L647 HydrophobicContact CD2-CD1 4.45Å; F631-L647 HydrophobicContact CE1-CD1 4.05Å; F631-L647 HydrophobicContact CG-CD1 4.16Å; F631-L647 HydrophobicContact CG-CD2 4.3Å; F631-L647 HydrophobicContact CZ-CD1 4.34Å; F631-W650 HydrophobicContact CE2-CZ3 4.13Å; F631-W650 HydrophobicContact CZ-CH2 4.22Å; F631-W650 AromaticContact CZ-CZ3 3.8Å; F631-W650 HydrophobicContact CZ-CZ3 3.8Å; F631-L695 HydrophobicContact CD1-CD1 4.46Å; F631-L695 HydrophobicContact CE1-CD1 3.84Å; F631-I698 HydrophobicContact CD2-CG2 4.2Å; F631-I698 HydrophobicContact CE1-CG2 4.36Å; F631-I698 HydrophobicContact CE2-CG2 3.61Å; F631-I698 HydrophobicContact CZ-CG2 3.71Å; F631-V699 HydrophobicContact CE1-CG2 4.18Å; F631-V699 HydrophobicContact CZ-CG2 3.92Å; F631-L702 HydrophobicContact CE2-CD1 3.75Å; F631-L702 HydrophobicContact CZ-CD1 4.36Å
632M95.3Very high96Very high53 Ų5333.3 Ų33.326%0.26116%0.161SC..Hα-helixtrans-70.2-44.9176.5-67.5-177.3-172.100112.2I600 L628 R629 M630 G635 V637 Y644I600-M632 HydrophobicContact CB-SD 4.44Å; I600-M632 HydrophobicContact CG1-CE 3.88Å; I600-M632 HydrophobicContact CG1-SD 4.45Å; I600-M632 HydrophobicContact CG2-SD 4.39Å; L628-M632 WeakPolarHBondContact O-CG 3.46Å; L628-M632 PolarHBondContact O-N 3.48Å; L628-M632 VanDerWaalsContact O-N 3.16Å; R629-M632 PolarHBondContact O-N 3.26Å; R629-M632 VanDerWaalsContact O-N 3.15Å; M630-M632 VanDerWaalsContact C-N 3.35Å; M630-M632 PolarHBondContact O-N 3.07Å; M632-G635 WeakPolarHBondContact O-CA 3.36Å; M632-G635 PolarHBondContact O-N 3.37Å; M632-V637 HydrophobicContact CG-CG2 4.31Å; M632-Y644 HydrophobicContact CE-CD2 4.06Å; M632-Y644 HydrophobicContact CE-CE2 3.28Å
633E95.6Very high96.1Very high90 Ų9036.1 Ų36.142%0.42117%0.173SC..Hα-helixtrans-66.8-41.7-176.4-164.870.2-144.900112V603 R629 M630 G635 F677V603-E633 HydrophobicContact CG2-CB 4.23Å; V603-E633 HydrophobicContact CG2-CG 3.83Å; V603-E633 VanDerWaalsContact CG2-OE2 3.29Å; V603-E633 WeakPolarHBondContact CG2-OE2 3.36Å; R629-E633 IonicContact CZ-OE2 2.93Å; R629-E633 IonicContact NE-OE2 2.66Å; R629-E633 PolarHBondContact NE-OE2 3.06Å; R629-E633 IonicContact NH2-OE2 2.77Å; R629-E633 PolarHBondContact NH2-OE2 3.48Å; R629-E633 WeakPolarHBondContact O-CB 3.3Å; R629-E633 PolarHBondContact O-N 3.23Å; M630-E633 PolarHBondContact O-N 3.29Å; E633-G635 PolarHBondContact O-N 2.96Å; E633-G635 VanDerWaalsContact O-N 3.12Å; E633-F677 HydrophobicContact CB-CE2 3.9Å; E633-F677 HydrophobicContact CB-CZ 4.1Å; E633-F677 HydrophobicContact CG-CE2 4.15Å; E633-F677 HydrophobicContact CG-CZ 4.01Å
634L95.8Very high96.1Very high7 Ų738.6 Ų38.64%0.03718%0.183CC..THydrogen-bonded Turntrans-68.4-6.1173.5-65.7173000112.9M630 M636 K639 F677 L680 T681 I694 I698M630-L634 WeakPolarHBondContact O-CB 3.35Å; M630-L634 WeakPolarHBondContact O-CG 3.36Å; M630-L634 PolarHBondContact O-N 3.16Å; M630-L634 VanDerWaalsContact O-N 3.12Å; L634-M636 HydrophobicContact CB-CE 4.06Å; L634-M636 HydrophobicContact CB-CG 3.81Å; L634-M636 WeakPolarHBondContact O-CE 3.32Å; L634-M636 PolarHBondContact O-N 3.14Å; L634-K639 PolarHBondContact O-NZ 3.12Å; L634-F677 HydrophobicContact CD1-CD2 4.04Å; L634-F677 HydrophobicContact CD2-CD2 4.2Å; L634-F677 HydrophobicContact CD2-CE2 4.29Å; L634-F677 HydrophobicContact CG-CD2 3.94Å; L634-F677 HydrophobicContact CG-CE2 4.06Å; L634-L680 HydrophobicContact CD1-CD1 4.31Å; L634-L680 HydrophobicContact CD2-CB 4.32Å; L634-T681 HydrophobicContact CD2-CG2 3.98Å; L634-I694 HydrophobicContact CD1-CG2 4.13Å; L634-I698 HydrophobicContact CD1-CD1 3.94Å; L634-I698 HydrophobicContact CD1-CG1 3.71Å
635G95.3Very high96Very high15 Ų1540.6 Ų40.616%0.15519%0.192CC..THydrogen-bonded Turntrans71.113.5-178.900000114.3M632 E633 V637 Q638 K639M632-G635 WeakPolarHBondContact O-CA 3.36Å; M632-G635 PolarHBondContact O-N 3.37Å; E633-G635 PolarHBondContact O-N 2.96Å; E633-G635 VanDerWaalsContact O-N 3.12Å; G635-V637 VanDerWaalsContact C-N 3.29Å; G635-V637 PolarHBondContact O-N 3.38Å; G635-Q638 PolarHBondContact O-N 3.07Å; G635-Q638 PolarHBondContact O-OE1 3.44Å; G635-K639 WeakPolarHBondContact O-CB 2.92Å; G635-K639 WeakPolarHBondContact O-CD 3.26Å; G635-K639 WeakPolarHBondContact O-CG 3.17Å; G635-K639 PolarHBondContact O-N 3.23Å
636M95.8Very high96.1Very high1 Ų140.6 Ų40.61%0.00519%0.192CC..Hα-helixtrans-62-38.9-173.9-64.4-69.5124.800111.5F631 L634 Q638 F640 E691 I694 L695F631-M636 HydrophobicContact CD1-CB 4.09Å; F631-M636 PolarHBondContact O-N 3.46Å; F631-M636 VanDerWaalsContact O-N 3.09Å; L634-M636 HydrophobicContact CB-CE 4.06Å; L634-M636 HydrophobicContact CB-CG 3.81Å; L634-M636 WeakPolarHBondContact O-CE 3.32Å; L634-M636 PolarHBondContact O-N 3.14Å; M636-Q638 PolarHBondContact O-N 2.93Å; M636-F640 PolarHBondContact O-N 3.3Å; M636-F640 VanDerWaalsContact O-N 3.09Å; M636-F640 HydrophobicContact SD-CD2 4.08Å; M636-F640 HydrophobicContact SD-CE2 3.73Å; M636-E691 WeakPolarHBondContact CE-OE2 3.23Å; M636-I694 HydrophobicContact CE-CB 4Å; M636-I694 HydrophobicContact CE-CG2 3.58Å; M636-I694 HydrophobicContact SD-CG2 4.22Å; M636-L695 HydrophobicContact CB-CD1 4.36Å; M636-L695 HydrophobicContact CG-CD1 4.41Å; M636-L695 HydrophobicContact SD-CB 3.73Å; M636-L695 HydrophobicContact SD-CD1 4.17Å; M636-L695 HydrophobicContact SD-CG 4.46Å
637V95.1Very high96.1Very high20 Ų2040.6 Ų40.612%0.12119%0.192CC..Hα-helixtrans-59.8-48.6179.8-1740000111.1F631 M632 G635 K641 I642 L647F631-V637 HydrophobicContact CB-CG2 4.15Å; M632-V637 HydrophobicContact CG-CG2 4.31Å; G635-V637 VanDerWaalsContact C-N 3.29Å; G635-V637 PolarHBondContact O-N 3.38Å; V637-K641 CarbonylContact O-C 3.58Å; V637-K641 VanDerWaalsContact O-CA 3.26Å; V637-K641 WeakPolarHBondContact O-CA 3.19Å; V637-K641 PolarHBondContact O-N 3.01Å; V637-K641 VanDerWaalsContact O-N 3.09Å; V637-I642 WeakPolarHBondContact CG1-O 3.36Å; V637-I642 PolarHBondContact O-N 3.13Å; V637-L647 HydrophobicContact CG2-CD2 3.86Å
638Q94.8Very high96.1Very high126 Ų12640.7 Ų40.759%0.58919%0.193SC*.Hα-helixtrans-76.2-43.7-177.2-59.381.6-1.700111.8G635 M636 K641G635-Q638 PolarHBondContact O-N 3.07Å; G635-Q638 PolarHBondContact O-OE1 3.44Å; M636-Q638 PolarHBondContact O-N 2.93Å; Q638-K641 PolarHBondContact O-N 3.4Å
639K94.1Very high96.1Very high104 Ų10443.8 Ų43.845%0.45220%0.204SC..Hα-helixtrans-62.3-48-177.7-70.6168.6-174.6169.20111.9L634 G635 E691L634-K639 PolarHBondContact O-NZ 3.12Å; G635-K639 WeakPolarHBondContact O-CB 2.92Å; G635-K639 WeakPolarHBondContact O-CD 3.26Å; G635-K639 WeakPolarHBondContact O-CG 3.17Å; G635-K639 PolarHBondContact O-N 3.23Å; K639-E691 HydrophobicContact CD-CG 4.28Å; K639-E691 VanDerWaalsContact CD-OE2 3.23Å; K639-E691 WeakPolarHBondContact CD-OE2 3.33Å; K639-E691 VanDerWaalsContact CE-OE1 3.3Å; K639-E691 WeakPolarHBondContact CE-OE1 3.44Å; K639-E691 WeakPolarHBondContact CE-OE2 3.45Å; K639-E691 IonicContact NZ-OE1 2.98Å; K639-E691 PolarHBondContact NZ-OE1 2.68Å; K639-E691 IonicContact NZ-OE2 3.2Å; K639-E691 PolarHBondContact NZ-OE2 3.28Å
640F95.9Very high96.2Very high23 Ų2341.6 Ų41.610%0.10120%0.196CC..THydrogen-bonded Turntrans-94.23.2-178.2-63.4-70.5000113.9M636 I642 E691 V692 L695 L756M636-F640 PolarHBondContact O-N 3.3Å; M636-F640 VanDerWaalsContact O-N 3.09Å; M636-F640 HydrophobicContact SD-CD2 4.08Å; M636-F640 HydrophobicContact SD-CE2 3.73Å; F640-I642 VanDerWaalsContact C-N 3.26Å; F640-I642 HydrophobicContact CB-CD1 4.36Å; F640-I642 HydrophobicContact CB-CG1 3.91Å; F640-I642 PolarHBondContact O-N 3.02Å; F640-E691 HydrophobicContact CE2-CB 4.03Å; F640-E691 HydrophobicContact CZ-CB 3.7Å; F640-V692 HydrophobicContact CE1-CG2 4.05Å; F640-V692 HydrophobicContact CZ-CG2 4.03Å; F640-L695 HydrophobicContact CB-CD2 4.42Å; F640-L695 HydrophobicContact CD1-CD2 4.34Å; F640-L695 HydrophobicContact CD2-CB 4.48Å; F640-L695 HydrophobicContact CD2-CD2 3.56Å; F640-L695 HydrophobicContact CE2-CB 3.98Å; F640-L695 HydrophobicContact CE2-CD2 3.79Å; F640-L695 HydrophobicContact CE2-CG 4.47Å; F640-L695 HydrophobicContact CG-CD2 3.84Å; F640-L695 HydrophobicContact CZ-CB 4.49Å; F640-L695 HydrophobicContact CZ-CD2 4.26Å; F640-L756 HydrophobicContact CB-CD2 4.46Å; F640-L756 HydrophobicContact CD1-CD2 3.48Å; F640-L756 VanDerWaalsContact CD1-CD2 3.48Å; F640-L756 HydrophobicContact CE1-CD2 4.11Å; F640-L756 HydrophobicContact CG-CD2 4.34Å
641K96Very high96.2Very high157 Ų15741.6 Ų41.668%0.68320%0.196SC*.THydrogen-bonded Turntrans52.545.2-178.2-56174.1-176.6172.90111.5V637 Q638 D643 N755V637-K641 CarbonylContact O-C 3.58Å; V637-K641 VanDerWaalsContact O-CA 3.26Å; V637-K641 WeakPolarHBondContact O-CA 3.19Å; V637-K641 PolarHBondContact O-N 3.01Å; V637-K641 VanDerWaalsContact O-N 3.09Å; Q638-K641 PolarHBondContact O-N 3.4Å; K641-D643 PolarHBondContact O-N 3.42Å; K641-N755 HydrophobicContact CB-CB 4.45Å; K641-N755 PolarHBondContact O-ND2 2.79Å
642I97.1Very high96.1Very high10 Ų1041.9 Ų41.95%0.05120%0.198CC..  trans-70.6123.3178.6-49.3-178.2000107.4V637 F640 Y644 L647 L695 I752V637-I642 WeakPolarHBondContact CG1-O 3.36Å; V637-I642 PolarHBondContact O-N 3.13Å; F640-I642 VanDerWaalsContact C-N 3.26Å; F640-I642 HydrophobicContact CB-CD1 4.36Å; F640-I642 HydrophobicContact CB-CG1 3.91Å; F640-I642 PolarHBondContact O-N 3.02Å; I642-Y644 PolarHBondContact O-N 3.08Å; I642-L647 HydrophobicContact CG2-CB 4.05Å; I642-L695 HydrophobicContact CD1-CD1 4.32Å; I642-I752 HydrophobicContact CG2-CB 3.79Å; I642-I752 HydrophobicContact CG2-CG2 3.82Å
643D96.5Very high96.2Very high85 Ų8539.5 Ų39.546%0.45519%0.186SC..  trans-64.4132173.3167.261.9000110.1K641 E645 T646 L647K641-D643 PolarHBondContact O-N 3.42Å; D643-E645 PolarHBondContact O-N 3.2Å; D643-E645 PolarHBondContact OD2-N 3.15Å; D643-T646 WeakPolarHBondContact O-CB 3.49Å; D643-T646 PolarHBondContact O-N 2.88Å; D643-T646 WeakPolarHBondContact OD2-CB 3.45Å; D643-T646 PolarHBondContact OD2-N 3.19Å; D643-T646 PolarHBondContact OD2-OG1 3.17Å; D643-L647 PolarHBondContact O-N 3.45Å
644Y95.3Very high96.3Very high53 Ų5335.2 Ų35.221%0.20817%0.166CC..Hα-helixtrans-69.5-34.7-171.8-175.6-121.9000112.5F595 L628 M632 I642 L647 C648F595-Y644 PolarHBondContact O-OH 3.36Å; L628-Y644 HydrophobicContact CD2-CE2 4.28Å; M632-Y644 HydrophobicContact CE-CD2 4.06Å; M632-Y644 HydrophobicContact CE-CE2 3.28Å; I642-Y644 PolarHBondContact O-N 3.08Å; Y644-L647 PolarHBondContact O-N 3.49Å; Y644-C648 PolarHBondContact O-N 3.02Å; Y644-C648 PolarHBondContact O-SG 2.78Å; Y644-C648 VanDerWaalsContact O-SG 3.38Å
645E95.7Very high96.3Very high42 Ų4237.9 Ų37.920%0.19618%0.175CC..Hα-helixtrans-66.5-43.2174.5-172.7-175.6132.900111.1V592 K596 D643 L647 C648 R649V592-E645 HydrophobicContact CG1-CG 3.66Å; K596-E645 HydrophobicContact CD-CB 4.31Å; K596-E645 HydrophobicContact CD-CG 4.24Å; K596-E645 IonicContact NZ-OE2 2.73Å; K596-E645 PolarHBondContact NZ-OE2 3.01Å; D643-E645 PolarHBondContact O-N 3.2Å; D643-E645 PolarHBondContact OD2-N 3.15Å; E645-L647 VanDerWaalsContact C-N 3.33Å; E645-L647 PolarHBondContact O-N 3.45Å; E645-C648 PolarHBondContact O-N 3.29Å; E645-R649 VanDerWaalsContact O-CB 3.29Å; E645-R649 WeakPolarHBondContact O-CB 3.2Å; E645-R649 PolarHBondContact O-N 2.9Å; E645-R649 IonicContact OE1-CZ 2.93Å; E645-R649 IonicContact OE1-NH2 3.64Å; E645-R649 PolarHBondContact OE1-NH2 3.4Å
646T96.9Very high96.4Very high21 Ų2140.7 Ų40.713%0.12918%0.183CC..Hα-helixtrans-59.2-42.1174.1-59.30000111.4D643 R649 W650 I752D643-T646 WeakPolarHBondContact O-CB 3.49Å; D643-T646 PolarHBondContact O-N 2.88Å; D643-T646 WeakPolarHBondContact OD2-CB 3.45Å; D643-T646 PolarHBondContact OD2-N 3.19Å; D643-T646 PolarHBondContact OD2-OG1 3.17Å; T646-R649 PolarHBondContact O-N 3.42Å; T646-W650 WeakPolarHBondContact O-CB 3.26Å; T646-W650 PolarHBondContact O-N 3.12Å; T646-I752 HydrophobicContact CG2-CG2 4.11Å
647L97.4Very high96.4Very high0 Ų041.4 Ų41.40%019%0.187CC..Hα-helixtrans-63.8-49.1175.8-17963.3000112.1L628 F631 V637 I642 D643 Y644 E645 R649 W650 L651 I752L628-L647 HydrophobicContact CD2-CD2 3.99Å; L628-L647 HydrophobicContact CD2-CG 3.9Å; F631-L647 HydrophobicContact CB-CD2 4.04Å; F631-L647 HydrophobicContact CD1-CD1 3.95Å; F631-L647 HydrophobicContact CD1-CD2 4.5Å; F631-L647 HydrophobicContact CD2-CD1 4.45Å; F631-L647 HydrophobicContact CE1-CD1 4.05Å; F631-L647 HydrophobicContact CG-CD1 4.16Å; F631-L647 HydrophobicContact CG-CD2 4.3Å; F631-L647 HydrophobicContact CZ-CD1 4.34Å; V637-L647 HydrophobicContact CG2-CD2 3.86Å; I642-L647 HydrophobicContact CG2-CB 4.05Å; D643-L647 PolarHBondContact O-N 3.45Å; Y644-L647 PolarHBondContact O-N 3.49Å; E645-L647 VanDerWaalsContact C-N 3.33Å; E645-L647 PolarHBondContact O-N 3.45Å; L647-R649 PolarHBondContact O-N 2.83Å; L647-W650 HydrophobicContact CD1-CE3 4.12Å; L647-W650 PolarHBondContact O-N 3.03Å; L647-L651 VanDerWaalsContact O-CB 3.28Å; L647-L651 WeakPolarHBondContact O-CB 3.32Å; L647-L651 PolarHBondContact O-N 3.08Å; L647-I752 HydrophobicContact CB-CG2 4.39Å; L647-I752 HydrophobicContact CD1-CG2 4.09Å
648C97.2Very high96.5Very high1 Ų140.8 Ų40.81%0.00718%0.183CC..Hα-helixtrans-58.5-46.6176.1-71.30000111.5V592 Y644 E645 L651 L652V592-C648 HydrophobicContact CG1-CB 4.27Å; Y644-C648 PolarHBondContact O-N 3.02Å; Y644-C648 PolarHBondContact O-SG 2.78Å; Y644-C648 VanDerWaalsContact O-SG 3.38Å; E645-C648 PolarHBondContact O-N 3.29Å; C648-L651 PolarHBondContact O-N 3.34Å; C648-L652 WeakPolarHBondContact O-CB 3.11Å; C648-L652 WeakPolarHBondContact O-CD1 3.4Å; C648-L652 VanDerWaalsContact O-CG 3.23Å; C648-L652 WeakPolarHBondContact O-CG 3.01Å; C648-L652 PolarHBondContact O-N 3Å
649R96.8Very high96.5Very high65 Ų6539.8 Ų39.825%0.24517%0.174CC..Hα-helixtrans-63.8-43.9179.8-166.8-169.1-53.9-177.21.3112.4C587 V592 E645 T646 L647 T653 E748 G749C587-R649 PolarHBondContact SG-O 3.11Å; C587-R649 VanDerWaalsContact SG-O 3.4Å; V592-R649 HydrophobicContact CG1-CB 4.31Å; V592-R649 HydrophobicContact CG2-CB 3.91Å; V592-R649 HydrophobicContact CG2-CG 3.92Å; E645-R649 VanDerWaalsContact O-CB 3.29Å; E645-R649 WeakPolarHBondContact O-CB 3.2Å; E645-R649 PolarHBondContact O-N 2.9Å; E645-R649 IonicContact OE1-CZ 2.93Å; E645-R649 IonicContact OE1-NH2 3.64Å; E645-R649 PolarHBondContact OE1-NH2 3.4Å; T646-R649 PolarHBondContact O-N 3.42Å; L647-R649 PolarHBondContact O-N 2.83Å; R649-T653 WeakPolarHBondContact O-CB 3.18Å; R649-T653 PolarHBondContact O-N 3.5Å; R649-T653 PolarHBondContact O-OG1 3.44Å; R649-E748 PolarHBondContact NH1-O 2.92Å; R649-G749 WeakPolarHBondContact CD-O 3.31Å
650W97.6Very high96.5Very high0 Ų042.2 Ų42.20%019%0.189CC..Hα-helixtrans-60.3-52175.1173.380.2000111.2F631 T646 L647 T653 V654 V699 L702 H750 I752F631-W650 HydrophobicContact CE2-CZ3 4.13Å; F631-W650 HydrophobicContact CZ-CH2 4.22Å; F631-W650 AromaticContact CZ-CZ3 3.8Å; F631-W650 HydrophobicContact CZ-CZ3 3.8Å; T646-W650 WeakPolarHBondContact O-CB 3.26Å; T646-W650 PolarHBondContact O-N 3.12Å; L647-W650 HydrophobicContact CD1-CE3 4.12Å; L647-W650 PolarHBondContact O-N 3.03Å; W650-T653 PolarHBondContact O-N 3.44Å; W650-V654 HydrophobicContact CD2-CG2 4.17Å; W650-V654 HydrophobicContact CH2-CG2 4.41Å; W650-V654 HydrophobicContact CZ2-CG2 3.75Å; W650-V654 WeakPolarHBondContact O-CG2 3.49Å; W650-V654 PolarHBondContact O-N 2.92Å; W650-V699 HydrophobicContact CH2-CB 4.42Å; W650-V699 HydrophobicContact CH2-CG1 4.1Å; W650-V699 HydrophobicContact CH2-CG2 4.1Å; W650-V699 HydrophobicContact CZ2-CG1 3.73Å; W650-V699 HydrophobicContact CZ2-CG2 4.4Å; W650-L702 HydrophobicContact CH2-CB 4.32Å; W650-L702 HydrophobicContact CH2-CD1 4.01Å; W650-L702 HydrophobicContact CZ3-CD1 4.1Å; W650-H750 VanDerWaalsContact CD1-O 3.3Å; W650-I752 HydrophobicContact CB-CG2 3.77Å; W650-I752 HydrophobicContact CD2-CD1 3.87Å; W650-I752 HydrophobicContact CD2-CG1 4.27Å; W650-I752 HydrophobicContact CD2-CG2 4.19Å; W650-I752 HydrophobicContact CE3-CD1 3.98Å; W650-I752 HydrophobicContact CE3-CG2 4.39Å; W650-I752 HydrophobicContact CG-CD1 4.46Å; W650-I752 HydrophobicContact CG-CG1 4.36Å; W650-I752 HydrophobicContact CG-CG2 3.91Å; W650-I752 HydrophobicContact CH2-CD1 4.27Å; W650-I752 HydrophobicContact CZ2-CD1 4.16Å; W650-I752 HydrophobicContact CZ3-CD1 4.16Å
651L97.8Very high96.5Very high0 Ų042.4 Ų42.40%019%0.192CC..Hα-helixtrans-63.7-44.6-176.4-175.766.3000112.6I624 A627 L628 L647 C648 T653 V654 R655 W666 L702I624-L651 HydrophobicContact CD1-CD2 4.32Å; I624-L651 HydrophobicContact CD1-CG 3.93Å; I624-L651 HydrophobicContact CG2-CD2 4.04Å; A627-L651 HydrophobicContact CB-CD1 4.08Å; A627-L651 HydrophobicContact CB-CD2 3.92Å; L628-L651 HydrophobicContact CD2-CD2 3.67Å; L628-L651 HydrophobicContact CG-CD2 3.66Å; L647-L651 VanDerWaalsContact O-CB 3.28Å; L647-L651 WeakPolarHBondContact O-CB 3.32Å; L647-L651 PolarHBondContact O-N 3.08Å; C648-L651 PolarHBondContact O-N 3.34Å; L651-T653 VanDerWaalsContact C-N 3.31Å; L651-T653 PolarHBondContact O-N 3.23Å; L651-V654 PolarHBondContact O-N 3.45Å; L651-R655 PolarHBondContact O-N 3.29Å; L651-W666 HydrophobicContact CD1-CH2 3.81Å; L651-L702 HydrophobicContact CD1-CD1 3.8Å
652L97.1Very high96.4Very high7 Ų738 Ų384%0.03718%0.175CC..Hα-helixtrans-62.7-38.8174.9-72.6166.6000111.8C587 E591 V592 F595 I624 C648 R655 K656C587-L652 HydrophobicContact CB-CB 3.6Å; E591-L652 HydrophobicContact CB-CD1 4.07Å; V592-L652 HydrophobicContact CG2-CD1 4.12Å; F595-L652 HydrophobicContact CD2-CD1 3.97Å; F595-L652 HydrophobicContact CD2-CD2 3.83Å; F595-L652 HydrophobicContact CD2-CG 4.37Å; F595-L652 HydrophobicContact CE2-CD2 3.72Å; I624-L652 HydrophobicContact CD1-CD2 4.14Å; I624-L652 HydrophobicContact CG1-CD2 4.18Å; I624-L652 HydrophobicContact CG2-CD2 4.08Å; C648-L652 WeakPolarHBondContact O-CB 3.11Å; C648-L652 WeakPolarHBondContact O-CD1 3.4Å; C648-L652 VanDerWaalsContact O-CG 3.23Å; C648-L652 WeakPolarHBondContact O-CG 3.01Å; C648-L652 PolarHBondContact O-N 3Å; L652-R655 PolarHBondContact O-N 3.06Å; L652-K656 WeakPolarHBondContact O-CB 3.47Å; L652-K656 PolarHBondContact O-N 3.07Å
653T96.8Very high96.4Very high2 Ų238.9 Ų38.91%0.01218%0.178CC..Hα-helixtrans-69.2-42.2176.6-65.10000111.7T586 C587 R649 W650 L651 R655 K656 N657 I744 H750T586-T653 HydrophobicContact CG2-CG2 4.33Å; C587-T653 PolarHBondContact N-OG1 3.2Å; C587-T653 VanDerWaalsContact N-OG1 3.09Å; C587-T653 PolarHBondContact SG-OG1 3.46Å; C587-T653 VanDerWaalsContact SG-OG1 3.33Å; R649-T653 WeakPolarHBondContact O-CB 3.18Å; R649-T653 PolarHBondContact O-N 3.5Å; R649-T653 PolarHBondContact O-OG1 3.44Å; W650-T653 PolarHBondContact O-N 3.44Å; L651-T653 VanDerWaalsContact C-N 3.31Å; L651-T653 PolarHBondContact O-N 3.23Å; T653-R655 PolarHBondContact O-N 2.94Å; T653-K656 PolarHBondContact O-N 2.87Å; T653-K656 VanDerWaalsContact O-N 3.12Å; T653-N657 PolarHBondContact O-N 3.02Å; T653-N657 PolarHBondContact O-ND2 3.47Å; T653-I744 HydrophobicContact CG2-CD1 4.32Å; T653-I744 HydrophobicContact CG2-CG1 4.19Å; T653-I744 HydrophobicContact CG2-CG2 3.76Å; T653-H750 PolarHBondContact OG1-CD2 3.19Å; T653-H750 PolarHBondContact OG1-NE2 3.39Å
654V97.6Very high96.5Very high0 Ų036.4 Ų36.40%016%0.164CC..Hα-helixtrans-54.9-53.1171.31660000110W650 L651 K656 N657 Y658 W666 L702 L706 I744W650-V654 HydrophobicContact CD2-CG2 4.17Å; W650-V654 HydrophobicContact CH2-CG2 4.41Å; W650-V654 HydrophobicContact CZ2-CG2 3.75Å; W650-V654 WeakPolarHBondContact O-CG2 3.49Å; W650-V654 PolarHBondContact O-N 2.92Å; L651-V654 PolarHBondContact O-N 3.45Å; V654-K656 VanDerWaalsContact C-N 3.28Å; V654-K656 PolarHBondContact O-N 3.26Å; V654-N657 PolarHBondContact O-N 3.28Å; V654-Y658 HydrophobicContact CG1-CE2 3.93Å; V654-Y658 WeakPolarHBondContact O-CD2 3.48Å; V654-Y658 PolarHBondContact O-N 3.33Å; V654-W666 HydrophobicContact CG1-CZ3 4.05Å; V654-L702 HydrophobicContact CG1-CB 4.48Å; V654-L702 VanDerWaalsContact CG1-O 3.25Å; V654-L702 WeakPolarHBondContact CG1-O 3.43Å; V654-L706 HydrophobicContact CG1-CD2 4.15Å; V654-L706 WeakPolarHBondContact O-CD2 3.5Å; V654-I744 HydrophobicContact CG2-CD1 4.21Å; V654-I744 HydrophobicContact CG2-CG2 4.36Å
655R96.5Very high96.6Very high63 Ų6335.4 Ų35.424%0.23816%0.162CC..Hα-helixtrans-56.3-38.2174.9179.7-96.291.9175.8-0.1113V620 I624 L651 L652 T653 N657 Y658 W666V620-R655 HydrophobicContact CG1-CG 4.21Å; I624-R655 HydrophobicContact CD1-CB 3.79Å; I624-R655 HydrophobicContact CD1-CG 4.01Å; L651-R655 PolarHBondContact O-N 3.29Å; L652-R655 PolarHBondContact O-N 3.06Å; T653-R655 PolarHBondContact O-N 2.94Å; R655-N657 VanDerWaalsContact C-N 3.27Å; R655-N657 PolarHBondContact O-N 2.83Å; R655-Y658 PolarHBondContact O-N 3.38Å; R655-W666 HydrophobicContact CB-CD2 3.69Å; R655-W666 HydrophobicContact CB-CE3 3.78Å; R655-W666 HydrophobicContact CB-CG 4.22Å; R655-W666 HydrophobicContact CB-CH2 4.27Å; R655-W666 HydrophobicContact CB-CZ2 4.21Å; R655-W666 HydrophobicContact CB-CZ3 4.07Å; R655-W666 HydrophobicContact CG-CB 4.26Å; R655-W666 HydrophobicContact CG-CD2 3.5Å; R655-W666 VanDerWaalsContact CG-CD2 3.5Å; R655-W666 HydrophobicContact CG-CE3 4.12Å; R655-W666 HydrophobicContact CG-CG 3.53Å; R655-W666 HydrophobicContact CG-CZ2 4.34Å
656K95.5Very high96.7Very high74 Ų7433.9 Ų33.932%0.32215%0.154SC..Hα-helixtrans-68.3-25.6178.3-163.4178.2-175.8-157.70113H584 T586 L652 T653 V654H584-K656 WeakPolarHBondContact O-CE 3.29Å; H584-K656 PolarHBondContact O-NZ 2.94Å; T586-K656 WeakPolarHBondContact O-CD 3.27Å; T586-K656 PolarHBondContact O-NZ 3.13Å; L652-K656 WeakPolarHBondContact O-CB 3.47Å; L652-K656 PolarHBondContact O-N 3.07Å; T653-K656 PolarHBondContact O-N 2.87Å; T653-K656 VanDerWaalsContact O-N 3.12Å; V654-K656 VanDerWaalsContact C-N 3.28Å; V654-K656 PolarHBondContact O-N 3.26Å
657N95.9Very high96.7Very high17 Ų1735.9 Ų35.99%0.09116%0.159CC..THydrogen-bonded Turntrans-90.6-0.9-180-77.7-94.6000114.3A585 T653 V654 R655 L706 D707 H740 I744A585-N657 PolarHBondContact O-ND2 3.23Å; T653-N657 PolarHBondContact O-N 3.02Å; T653-N657 PolarHBondContact O-ND2 3.47Å; V654-N657 PolarHBondContact O-N 3.28Å; R655-N657 VanDerWaalsContact C-N 3.27Å; R655-N657 PolarHBondContact O-N 2.83Å; N657-L706 HydrophobicContact CB-CD2 3.69Å; N657-D707 PolarHBondContact O-N 3.29Å; N657-D707 VanDerWaalsContact O-N 3.13Å; N657-H740 PolarHBondContact OD1-NE2 3.43Å; N657-I744 HydrophobicContact CB-CD1 4.06Å
658Y97.6Very high96.7Very high6 Ų636.5 Ų36.52%0.02416%0.162CC..SBendtrans-77132.7163-81.2-86.3000110.9V654 R655 W666 A669 L702 D705 L706V654-Y658 HydrophobicContact CG1-CE2 3.93Å; V654-Y658 WeakPolarHBondContact O-CD2 3.48Å; V654-Y658 PolarHBondContact O-N 3.33Å; R655-Y658 PolarHBondContact O-N 3.38Å; Y658-W666 HydrophobicContact CD2-CB 4.4Å; Y658-W666 AromaticContact CD2-CE3 3.8Å; Y658-W666 HydrophobicContact CD2-CE3 3.8Å; Y658-W666 AromaticContact CE2-CE3 3.95Å; Y658-W666 HydrophobicContact CE2-CE3 3.95Å; Y658-W666 HydrophobicContact CE2-CZ3 4.4Å; Y658-W666 HydrophobicContact CG-CB 4.21Å; Y658-A669 HydrophobicContact CE1-CB 3.7Å; Y658-A669 HydrophobicContact CE2-CB 3.98Å; Y658-A669 VanDerWaalsContact OH-CB 3.24Å; Y658-A669 WeakPolarHBondContact OH-CB 3.22Å; Y658-L702 VanDerWaalsContact CE2-O 3.28Å; Y658-L702 WeakPolarHBondContact CE2-O 3.3Å; Y658-L702 PolarHBondContact OH-O 3.12Å; Y658-D705 VanDerWaalsContact CE1-C 3.48Å; Y658-D705 HydrophobicContact CE1-CB 3.63Å; Y658-D705 WeakPolarHBondContact CE1-O 3.17Å; Y658-L706 HydrophobicContact CD2-CD2 3.91Å; Y658-L706 HydrophobicContact CE2-CD2 3.63Å; Y658-L706 HydrophobicContact CE2-CG 4.01Å
659R95.3Very high96.8Very high105 Ų10536.4 Ų36.440%0.39616%0.162SC..  trans-76.3156.6177.5-66.2-172.1173.1-93.6-13111.2V661 N665 D707 H708R659-V661 HydrophobicContact CB-CG1 4.09Å; R659-V661 PolarHBondContact O-N 3.21Å; R659-N665 WeakPolarHBondContact O-CB 3.39Å; R659-D707 IonicContact CZ-OD1 3.21Å; R659-D707 IonicContact NE-OD1 2.72Å; R659-D707 PolarHBondContact NE-OD1 3.29Å; R659-D707 IonicContact NH2-OD1 2.71Å; R659-D707 PolarHBondContact NH2-OD1 3.25Å; R659-D707 IonicContact NH2-OD2 3.11Å; R659-H708 WeakPolarHBondContact CB-O 3.42Å; R659-H708 VanDerWaalsContact CD-O 3.3Å; R659-H708 WeakPolarHBondContact CD-O 3.31Å
660M93.2Very high96.8Very high156 Ų15633.3 Ų33.377%0.76815%0.15SC*.  trans-81.569.1171.8-57-64.693.400109.5
661V95.8Very high96.8Very high27 Ų2734 Ų3416%0.16415%0.153CC..  trans-103.7163.9170.5-61.20000110R659 Y663 H664 N665R659-V661 HydrophobicContact CB-CG1 4.09Å; R659-V661 PolarHBondContact O-N 3.21Å; V661-Y663 PolarHBondContact O-N 3.22Å; V661-H664 VanDerWaalsContact CG2-C 3.47Å; V661-H664 HydrophobicContact CG2-CB 4.17Å; V661-H664 WeakPolarHBondContact CG2-O 3.16Å; V661-N665 HydrophobicContact CG2-CB 4.3Å; V661-N665 PolarHBondContact O-ND2 3.13Å
662L95.6Very high96.8Very high63 Ų6334 Ų3433%0.3315%0.154SC..SBendtrans-66.4-40.6-168.3-65.1178.9000113.7N665 E837 E840L662-N665 PolarHBondContact O-ND2 2.99Å; L662-E837 HydrophobicContact CB-CB 4.15Å; L662-E837 HydrophobicContact CB-CG 4.32Å; L662-E837 PolarHBondContact N-OE2 3.27Å; L662-E840 HydrophobicContact CD1-CG 4.4Å
663Y96.9Very high96.9Very high29 Ų2933.7 Ų33.711%0.11415%0.152CC..SBendtrans-118-57.9-178177.6-110.2000113.4V661 N665 H668 V830 V834 E837V661-Y663 PolarHBondContact O-N 3.22Å; Y663-N665 PolarHBondContact O-N 3.48Å; Y663-N665 PolarHBondContact O-ND2 3.33Å; Y663-H668 AromaticContact CE1-ND1 3.91Å; Y663-H668 HydrophobicContact CE2-CB 4.48Å; Y663-H668 AromaticContact CZ-CG 3.95Å; Y663-H668 AromaticContact CZ-ND1 3.41Å; Y663-H668 VanDerWaalsContact O-CB 3.31Å; Y663-H668 WeakPolarHBondContact O-CB 3.42Å; Y663-H668 PolarHBondContact OH-CE1 3.2Å; Y663-H668 PolarHBondContact OH-ND1 3.06Å; Y663-H668 VanDerWaalsContact OH-ND1 3.11Å; Y663-V830 HydrophobicContact CD2-CG1 3.97Å; Y663-V830 HydrophobicContact CE2-CG1 3.36Å; Y663-V834 HydrophobicContact CD1-CG2 3.64Å; Y663-V834 HydrophobicContact CD2-CG2 3.52Å; Y663-V834 HydrophobicContact CE1-CG2 3.78Å; Y663-V834 HydrophobicContact CE2-CG2 3.67Å; Y663-V834 HydrophobicContact CG-CB 4.45Å; Y663-V834 HydrophobicContact CG-CG2 3.49Å; Y663-V834 VanDerWaalsContact CG-CG2 3.49Å; Y663-E837 PolarHBondContact N-OE2 2.69Å
664H97.9Very high96.9Very high34 Ų3433.6 Ų33.616%0.15715%0.152CC..THydrogen-bonded Turntrans-77.261.1-172.6-57.697.5000112.1V661 D705 H708 E837V661-H664 VanDerWaalsContact CG2-C 3.47Å; V661-H664 HydrophobicContact CG2-CB 4.17Å; V661-H664 WeakPolarHBondContact CG2-O 3.16Å; H664-D705 WeakPolarHBondContact CB-OD2 3.41Å; H664-D705 IonicContact CD2-OD2 3.85Å; H664-D705 PolarHBondContact CD2-OD2 3.17Å; H664-D705 IonicContact CG-OD2 2.67Å; H664-H708 HydrophobicContact CB-CB 4.09Å; H664-H708 WeakPolarHBondContact CB-ND1 3.49Å; H664-H708 AromaticContact CE1-CE1 3.95Å; H664-H708 AromaticContact CG-CE1 3.61Å; H664-H708 AromaticContact CG-ND1 3.51Å; H664-H708 AromaticContact ND1-CE1 3.4Å; H664-H708 PolarHBondContact ND1-CE1 2.81Å; H664-H708 AromaticContact ND1-ND1 3.66Å; H664-E837 IonicContact CE1-OE1 2.7Å; H664-E837 PolarHBondContact CE1-OE1 3.09Å; H664-E837 IonicContact CG-OE1 3.18Å; H664-E837 PolarHBondContact N-OE2 3.36Å; H664-E837 IonicContact ND1-OE1 3.85Å; H664-E837 PolarHBondContact ND1-OE1 3.32Å; H664-E837 IonicContact ND1-OE2 2.66Å
665N97.1Very high96.9Very high31 Ų3133.6 Ų33.617%0.16615%0.152CC..THydrogen-bonded Turntrans-122.3-175-176.966.952.8000110.6R659 V661 L662 Y663 R667 H668 A669R659-N665 WeakPolarHBondContact O-CB 3.39Å; V661-N665 HydrophobicContact CG2-CB 4.3Å; V661-N665 PolarHBondContact O-ND2 3.13Å; L662-N665 PolarHBondContact O-ND2 2.99Å; Y663-N665 PolarHBondContact O-N 3.48Å; Y663-N665 PolarHBondContact O-ND2 3.33Å; N665-R667 PolarHBondContact O-N 3.4Å; N665-R667 VanDerWaalsContact O-N 3.16Å; N665-R667 VanDerWaalsContact OD1-CB 3.28Å; N665-R667 WeakPolarHBondContact OD1-CB 3.34Å; N665-R667 PolarHBondContact OD1-N 3.06Å; N665-H668 PolarHBondContact O-N 2.94Å; N665-H668 VanDerWaalsContact O-N 3.14Å; N665-A669 PolarHBondContact O-N 3.14Å
666W97.8Very high97Very high11 Ų1130.6 Ų30.64%0.04214%0.14CC..Hα-helixtrans-54.9-34.7-177.3171.9-111.1000114.3I624 L651 V654 R655 Y658 A669 F670 L702I624-W666 HydrophobicContact CD1-CH2 4.23Å; I624-W666 HydrophobicContact CD1-CZ2 3.66Å; I624-W666 HydrophobicContact CG1-CZ2 4.4Å; L651-W666 HydrophobicContact CD1-CH2 3.81Å; V654-W666 HydrophobicContact CG1-CZ3 4.05Å; R655-W666 HydrophobicContact CB-CD2 3.69Å; R655-W666 HydrophobicContact CB-CE3 3.78Å; R655-W666 HydrophobicContact CB-CG 4.22Å; R655-W666 HydrophobicContact CB-CH2 4.27Å; R655-W666 HydrophobicContact CB-CZ2 4.21Å; R655-W666 HydrophobicContact CB-CZ3 4.07Å; R655-W666 HydrophobicContact CG-CB 4.26Å; R655-W666 HydrophobicContact CG-CD2 3.5Å; R655-W666 VanDerWaalsContact CG-CD2 3.5Å; R655-W666 HydrophobicContact CG-CE3 4.12Å; R655-W666 HydrophobicContact CG-CG 3.53Å; R655-W666 HydrophobicContact CG-CZ2 4.34Å; Y658-W666 HydrophobicContact CD2-CB 4.4Å; Y658-W666 AromaticContact CD2-CE3 3.8Å; Y658-W666 HydrophobicContact CD2-CE3 3.8Å; Y658-W666 AromaticContact CE2-CE3 3.95Å; Y658-W666 HydrophobicContact CE2-CE3 3.95Å; Y658-W666 HydrophobicContact CE2-CZ3 4.4Å; Y658-W666 HydrophobicContact CG-CB 4.21Å; W666-A669 PolarHBondContact O-N 3.5Å; W666-F670 HydrophobicContact CZ2-CB 4.47Å; W666-F670 VanDerWaalsContact O-CB 3.32Å; W666-F670 WeakPolarHBondContact O-CB 3.46Å; W666-F670 PolarHBondContact O-N 3.29Å; W666-L702 HydrophobicContact CH2-CD2 3.82Å; W666-L702 HydrophobicContact CZ3-CD2 4Å
667R97.3Very high97.1Very high63 Ų6327.1 Ų27.124%0.23813%0.125CC..Hα-helixtrans-64.4-41.7-180173.3177.1-71.6-75.5-2.4111.5D615 F616 L618 M623 N665 N671D615-R667 PolarHBondContact O-NH1 3.41Å; D615-R667 WeakPolarHBondContact OD2-CD 3.41Å; D615-R667 WeakPolarHBondContact OD2-CG 3.09Å; D615-R667 IonicContact OD2-CZ 3.66Å; D615-R667 IonicContact OD2-NE 2.8Å; D615-R667 IonicContact OD2-NH1 3.65Å; D615-R667 PolarHBondContact OD2-NH1 2.95Å; F616-R667 VanDerWaalsContact CA-NH1 3.34Å; L618-R667 PolarHBondContact O-NH2 3.47Å; M623-R667 HydrophobicContact CE-CB 4.18Å; M623-R667 HydrophobicContact CE-CG 3.91Å; N665-R667 PolarHBondContact O-N 3.4Å; N665-R667 VanDerWaalsContact O-N 3.16Å; N665-R667 VanDerWaalsContact OD1-CB 3.28Å; N665-R667 WeakPolarHBondContact OD1-CB 3.34Å; N665-R667 PolarHBondContact OD1-N 3.06Å; R667-N671 WeakPolarHBondContact O-CB 3.49Å; R667-N671 PolarHBondContact O-N 3.14Å
668H97.6Very high97.1Very high12 Ų1226.3 Ų26.36%0.05612%0.121CC..Hα-helixtrans-61.4-56.4173.5170.358.6000110.7Y663 N665 F670 N671 V672 H704 D705 D816Y663-H668 AromaticContact CE1-ND1 3.91Å; Y663-H668 HydrophobicContact CE2-CB 4.48Å; Y663-H668 AromaticContact CZ-CG 3.95Å; Y663-H668 AromaticContact CZ-ND1 3.41Å; Y663-H668 VanDerWaalsContact O-CB 3.31Å; Y663-H668 WeakPolarHBondContact O-CB 3.42Å; Y663-H668 PolarHBondContact OH-CE1 3.2Å; Y663-H668 PolarHBondContact OH-ND1 3.06Å; Y663-H668 VanDerWaalsContact OH-ND1 3.11Å; N665-H668 PolarHBondContact O-N 2.94Å; N665-H668 VanDerWaalsContact O-N 3.14Å; H668-F670 PolarHBondContact O-N 3.43Å; H668-F670 VanDerWaalsContact O-N 3.16Å; H668-N671 PolarHBondContact O-N 3Å; H668-V672 WeakPolarHBondContact CE1-CG2 3.33Å; H668-V672 WeakPolarHBondContact O-CG2 3.46Å; H668-V672 PolarHBondContact O-N 3.32Å; H668-H704 AromaticContact CD2-CE1 3.85Å; H668-H704 AromaticContact CD2-NE2 3.69Å; H668-H704 AromaticContact NE2-CD2 3.58Å; H668-H704 AromaticContact NE2-CE1 3.14Å; H668-H704 PolarHBondContact NE2-CE1 3.08Å; H668-H704 AromaticContact NE2-NE2 2.39Å; H668-H704 PolarHBondContact NE2-NE2 3.11Å; H668-D705 IonicContact CD2-OD2 2.78Å; H668-D705 PolarHBondContact CD2-OD2 3.16Å; H668-D705 IonicContact NE2-OD2 3.95Å; H668-D705 PolarHBondContact NE2-OD2 3.09Å; H668-D705 VanDerWaalsContact NE2-OD2 3.16Å; H668-D816 VanDerWaalsContact CE1-CA 3.49Å; H668-D816 WeakPolarHBondContact CE1-CA 3.37Å; H668-D816 PolarHBondContact CE1-O 2.85Å; H668-D816 IonicContact CE1-OD1 3.7Å; H668-D816 PolarHBondContact CE1-OD1 3.28Å; H668-D816 IonicContact NE2-OD1 2.73Å; H668-D816 PolarHBondContact NE2-OD1 3.35Å
669A98.2Very high97Very high0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-56.9-35.5179.400000113.7Y658 N665 W666 C673Y658-A669 HydrophobicContact CE1-CB 3.7Å; Y658-A669 HydrophobicContact CE2-CB 3.98Å; Y658-A669 VanDerWaalsContact OH-CB 3.24Å; Y658-A669 WeakPolarHBondContact OH-CB 3.22Å; N665-A669 PolarHBondContact O-N 3.14Å; W666-A669 PolarHBondContact O-N 3.5Å; A669-C673 WeakPolarHBondContact O-CB 3.41Å; A669-C673 PolarHBondContact O-N 3.49Å; A669-C673 VanDerWaalsContact O-N 3.09Å
670F98.3Very high97Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-66.1-47171.7172.8-99.6000112.7F613 L618 M623 A626 A627 M630 W666 H668 V672 C673 Q674F613-F670 AromaticContact CE1-CE1 3.88Å; F613-F670 HydrophobicContact CE1-CE1 3.88Å; F613-F670 HydrophobicContact CZ-CE1 4.07Å; F613-F670 HydrophobicContact CZ-CZ 4.49Å; L618-F670 HydrophobicContact CD1-CE1 4.18Å; L618-F670 HydrophobicContact CD1-CZ 4.09Å; M623-F670 HydrophobicContact CB-CD1 4.16Å; M623-F670 HydrophobicContact CB-CD2 3.88Å; M623-F670 HydrophobicContact CB-CE1 4.33Å; M623-F670 HydrophobicContact CB-CE2 4.07Å; M623-F670 HydrophobicContact CB-CG 3.92Å; M623-F670 HydrophobicContact CB-CZ 4.3Å; M623-F670 HydrophobicContact CE-CD1 4.18Å; M623-F670 HydrophobicContact CG-CD1 3.6Å; M623-F670 HydrophobicContact CG-CD2 4.25Å; M623-F670 HydrophobicContact CG-CE1 3.76Å; M623-F670 HydrophobicContact CG-CE2 4.4Å; M623-F670 HydrophobicContact CG-CG 3.86Å; M623-F670 HydrophobicContact CG-CZ 4.17Å; M623-F670 VanDerWaalsContact O-CE2 3.23Å; M623-F670 WeakPolarHBondContact O-CE2 3.42Å; M623-F670 HydrophobicContact SD-CB 4.26Å; M623-F670 HydrophobicContact SD-CD1 3.95Å; M623-F670 HydrophobicContact SD-CG 4.13Å; A626-F670 HydrophobicContact CB-CE2 3.66Å; A626-F670 HydrophobicContact CB-CZ 3.62Å; A627-F670 HydrophobicContact CB-CD2 4.33Å; A627-F670 HydrophobicContact CB-CE2 4.35Å; M630-F670 HydrophobicContact CE-CE2 3.69Å; M630-F670 HydrophobicContact CE-CZ 3.94Å; W666-F670 HydrophobicContact CZ2-CB 4.47Å; W666-F670 VanDerWaalsContact O-CB 3.32Å; W666-F670 WeakPolarHBondContact O-CB 3.46Å; W666-F670 PolarHBondContact O-N 3.29Å; H668-F670 PolarHBondContact O-N 3.43Å; H668-F670 VanDerWaalsContact O-N 3.16Å; F670-V672 PolarHBondContact O-N 2.69Å; F670-C673 CarbonylContact O-C 3.53Å; F670-C673 WeakPolarHBondContact O-CB 3.19Å; F670-C673 PolarHBondContact O-N 2.8Å; F670-Q674 WeakPolarHBondContact O-CB 3.44Å; F670-Q674 PolarHBondContact O-N 3.36Å
671N97.1Very high97Very high13 Ų1315.1 Ų15.17%0.077%0.073CC..Hα-helixtrans-62.6-42.2178.4-169.2-39.5000111.2D615 R667 H668 C673 Q674 L675 K822D615-N671 PolarHBondContact OD1-ND2 3.13Å; R667-N671 WeakPolarHBondContact O-CB 3.49Å; R667-N671 PolarHBondContact O-N 3.14Å; H668-N671 PolarHBondContact O-N 3Å; N671-C673 VanDerWaalsContact C-N 3.32Å; N671-C673 PolarHBondContact O-N 2.69Å; N671-Q674 WeakPolarHBondContact O-CB 3.45Å; N671-Q674 PolarHBondContact O-N 3.19Å; N671-Q674 VanDerWaalsContact O-N 3.14Å; N671-L675 PolarHBondContact O-N 2.82Å; N671-K822 WeakPolarHBondContact OD1-CE 3.45Å
672V98.3Very high96.6Very high2 Ų216.9 Ų16.91%0.0129%0.085CC..Hα-helixtrans-57.5-44.1172.9176.40000111.4H668 F670 M676 C701 M812 C815H668-V672 WeakPolarHBondContact CE1-CG2 3.33Å; H668-V672 WeakPolarHBondContact O-CG2 3.46Å; H668-V672 PolarHBondContact O-N 3.32Å; F670-V672 PolarHBondContact O-N 2.69Å; V672-M676 WeakPolarHBondContact O-CB 3.47Å; V672-M676 PolarHBondContact O-N 3.39Å; V672-C701 HydrophobicContact CG1-CB 4.05Å; V672-M812 HydrophobicContact CG1-CE 3.34Å; V672-C815 HydrophobicContact CG1-CB 3.91Å
673C98.4Very high96.3Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-67-39174.9-173.10000113A669 F670 N671 M676 F677 C701 L702A669-C673 WeakPolarHBondContact O-CB 3.41Å; A669-C673 PolarHBondContact O-N 3.49Å; A669-C673 VanDerWaalsContact O-N 3.09Å; F670-C673 CarbonylContact O-C 3.53Å; F670-C673 WeakPolarHBondContact O-CB 3.19Å; F670-C673 PolarHBondContact O-N 2.8Å; N671-C673 VanDerWaalsContact C-N 3.32Å; N671-C673 PolarHBondContact O-N 2.69Å; C673-M676 PolarHBondContact O-N 3.06Å; C673-F677 WeakPolarHBondContact O-CB 3.49Å; C673-F677 PolarHBondContact O-N 3.09Å; C673-C701 HydrophobicContact CB-CB 3.84Å; C673-L702 HydrophobicContact CB-CD2 3.54Å; C673-L702 HydrophobicContact CB-CG 3.9Å
674Q97.6Very high95.9Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-63-47176.9-177.4-83.4-4600111.3I608 D610 F613 M630 F670 N671 F677 A678I608-Q674 HydrophobicContact CB-CG 4.35Å; I608-Q674 PolarHBondContact O-NE2 2.85Å; D610-Q674 PolarHBondContact O-NE2 3.01Å; F613-Q674 VanDerWaalsContact CD1-CD 3.47Å; F613-Q674 HydrophobicContact CD1-CG 3.64Å; F613-Q674 VanDerWaalsContact CD1-OE1 3.32Å; F613-Q674 HydrophobicContact CE1-CG 3.99Å; F613-Q674 HydrophobicContact CG-CG 4.1Å; M630-Q674 HydrophobicContact CE-CB 3.72Å; M630-Q674 HydrophobicContact CE-CG 3.99Å; F670-Q674 WeakPolarHBondContact O-CB 3.44Å; F670-Q674 PolarHBondContact O-N 3.36Å; N671-Q674 WeakPolarHBondContact O-CB 3.45Å; N671-Q674 PolarHBondContact O-N 3.19Å; N671-Q674 VanDerWaalsContact O-N 3.14Å; Q674-F677 WeakPolarHBondContact O-CB 3.28Å; Q674-F677 PolarHBondContact O-N 3.25Å; Q674-A678 PolarHBondContact O-N 3.3Å
675L97.3Very high95.6Very high0 Ų011.5 Ų11.50%06%0.062CC..Hα-helixtrans-66.5-40.8179.7-176.355.5000111.2I611 N671 F677 A678 M679 G818 M894I611-L675 HydrophobicContact CG2-CD1 4.46Å; N671-L675 PolarHBondContact O-N 2.82Å; L675-F677 VanDerWaalsContact C-N 3.33Å; L675-F677 PolarHBondContact O-N 3.13Å; L675-A678 PolarHBondContact O-N 2.85Å; L675-M679 HydrophobicContact CD1-CG 4.47Å; L675-M679 HydrophobicContact CG-SD 4.42Å; L675-M679 VanDerWaalsContact O-CG 3.3Å; L675-M679 WeakPolarHBondContact O-CG 3.09Å; L675-M679 PolarHBondContact O-N 2.65Å; L675-G818 VanDerWaalsContact CD2-CA 3.41Å; L675-M894 HydrophobicContact CD1-CE 3.83Å; L675-M894 HydrophobicContact CD1-SD 4.43Å; L675-M894 HydrophobicContact CD2-CE 3.9Å; L675-M894 HydrophobicContact CG-CE 4.21Å
676M98Very high95.4Very high0 Ų013.9 Ų13.90%07%0.072CC..Hα-helixtrans-59.4-44.4171.918064.169.900111.7V672 C673 M679 L680 V697 I698 L811 C815V672-M676 WeakPolarHBondContact O-CB 3.47Å; V672-M676 PolarHBondContact O-N 3.39Å; C673-M676 PolarHBondContact O-N 3.06Å; M676-M679 PolarHBondContact O-N 2.94Å; M676-L680 HydrophobicContact CG-CD1 4.04Å; M676-L680 VanDerWaalsContact O-CG 3.27Å; M676-L680 WeakPolarHBondContact O-CG 3.19Å; M676-L680 PolarHBondContact O-N 3.42Å; M676-L680 HydrophobicContact SD-CD1 4.43Å; M676-L680 HydrophobicContact SD-CG 4.4Å; M676-V697 HydrophobicContact CE-CG1 3.28Å; M676-V697 HydrophobicContact CG-CG1 3.68Å; M676-V697 HydrophobicContact SD-CG1 3.43Å; M676-V697 WeakPolarHBondContact SD-CG1 3.5Å; M676-I698 HydrophobicContact CB-CD1 4.49Å; M676-I698 HydrophobicContact CG-CD1 4.02Å; M676-L811 HydrophobicContact CE-CB 3.94Å; M676-L811 HydrophobicContact SD-CB 4.48Å; M676-C815 VanDerWaalsContact CA-SG 3.54Å; M676-C815 HydrophobicContact CB-CB 4.35Å; M676-C815 HydrophobicContact CE-CB 4.26Å
677F97.7Very high95Very high1 Ų121.3 Ų21.30%0.00411%0.107CC..Hα-helixtrans-58.4-48.9174.8168.8-96.3000111.8V603 I608 D609 M630 E633 L634 C673 Q674 L675 M679 L680 T681 I698V603-F677 HydrophobicContact CG1-CE1 4.45Å; V603-F677 HydrophobicContact CG2-CZ 4.26Å; I608-F677 HydrophobicContact CD1-CE1 4.3Å; I608-F677 HydrophobicContact CG1-CE1 4Å; I608-F677 WeakPolarHBondContact O-CD1 3.49Å; D609-F677 HydrophobicContact CB-CE1 4.43Å; M630-F677 HydrophobicContact CB-CB 4.48Å; M630-F677 HydrophobicContact CB-CD2 3.77Å; M630-F677 HydrophobicContact CB-CE2 4.24Å; M630-F677 HydrophobicContact CB-CG 4.13Å; M630-F677 HydrophobicContact CG-CB 4.03Å; M630-F677 HydrophobicContact CG-CD1 4.06Å; M630-F677 HydrophobicContact CG-CD2 3.82Å; M630-F677 HydrophobicContact CG-CE2 4.31Å; M630-F677 HydrophobicContact CG-CG 3.68Å; M630-F677 HydrophobicContact SD-CB 3.99Å; M630-F677 HydrophobicContact SD-CG 4.28Å; E633-F677 HydrophobicContact CB-CE2 3.9Å; E633-F677 HydrophobicContact CB-CZ 4.1Å; E633-F677 HydrophobicContact CG-CE2 4.15Å; E633-F677 HydrophobicContact CG-CZ 4.01Å; L634-F677 HydrophobicContact CD1-CD2 4.04Å; L634-F677 HydrophobicContact CD2-CD2 4.2Å; L634-F677 HydrophobicContact CD2-CE2 4.29Å; L634-F677 HydrophobicContact CG-CD2 3.94Å; L634-F677 HydrophobicContact CG-CE2 4.06Å; C673-F677 WeakPolarHBondContact O-CB 3.49Å; C673-F677 PolarHBondContact O-N 3.09Å; Q674-F677 WeakPolarHBondContact O-CB 3.28Å; Q674-F677 PolarHBondContact O-N 3.25Å; L675-F677 VanDerWaalsContact C-N 3.33Å; L675-F677 PolarHBondContact O-N 3.13Å; F677-M679 VanDerWaalsContact C-N 3.32Å; F677-M679 PolarHBondContact O-N 2.95Å; F677-L680 PolarHBondContact O-N 3.3Å; F677-L680 VanDerWaalsContact O-N 3.13Å; F677-T681 HydrophobicContact CD2-CG2 4.12Å; F677-T681 HydrophobicContact CE1-CG2 4.47Å; F677-T681 HydrophobicContact CE2-CG2 3.65Å; F677-T681 HydrophobicContact CZ-CG2 3.85Å; F677-T681 PolarHBondContact O-N 3.01Å; F677-T681 PolarHBondContact O-OG1 3.28Å; F677-I698 HydrophobicContact CB-CD1 4.45Å
678A95.9Very high94.7Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-63-34.5176.800000112.9I611 Q674 L675 T682 A683I611-A678 HydrophobicContact CG1-CB 4.37Å; Q674-A678 PolarHBondContact O-N 3.3Å; L675-A678 PolarHBondContact O-N 2.85Å; A678-T682 WeakPolarHBondContact O-CA 3.4Å; A678-T682 WeakPolarHBondContact O-CB 3.43Å; A678-T682 PolarHBondContact O-N 3.1Å; A678-A683 PolarHBondContact O-N 3.17Å
679M95.4Very high94.5Very high0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-69.3-37.8172.7-69.3-179.382.300111.9L675 M676 F677 A683 G684 F685 L811 L884 L891 M894L675-M679 HydrophobicContact CD1-CG 4.47Å; L675-M679 HydrophobicContact CG-SD 4.42Å; L675-M679 VanDerWaalsContact O-CG 3.3Å; L675-M679 WeakPolarHBondContact O-CG 3.09Å; L675-M679 PolarHBondContact O-N 2.65Å; M676-M679 PolarHBondContact O-N 2.94Å; F677-M679 VanDerWaalsContact C-N 3.32Å; F677-M679 PolarHBondContact O-N 2.95Å; M679-A683 VanDerWaalsContact O-CB 3.32Å; M679-A683 WeakPolarHBondContact O-CB 3.44Å; M679-G684 PolarHBondContact O-N 3.29Å; M679-F685 HydrophobicContact CB-CD2 4.15Å; M679-F685 HydrophobicContact CB-CE2 4.4Å; M679-F685 HydrophobicContact CE-CE2 4.19Å; M679-F685 WeakPolarHBondContact O-CD2 3.34Å; M679-L811 HydrophobicContact CE-CD2 3.41Å; M679-L811 VanDerWaalsContact CE-CD2 3.41Å; M679-L811 HydrophobicContact SD-CD2 4.33Å; M679-L884 HydrophobicContact CE-CD1 4.37Å; M679-L891 HydrophobicContact CE-CD1 3.69Å; M679-L891 HydrophobicContact CE-CD2 3.85Å; M679-L891 HydrophobicContact CE-CG 4.44Å; M679-L891 HydrophobicContact CG-CD2 4.09Å; M679-M894 HydrophobicContact CE-SD 4.4Å; M679-M894 HydrophobicContact CG-SD 4.39Å; M679-M894 HydrophobicContact SD-CE 4.21Å; M679-M894 HydrophobicContact SD-SD 4.32Å
680L95.8Very high94.3Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-66.8-45176.3-71.7165.7000112.1L634 M676 F677 G684 F685 Q686 L689 I694 I698L634-L680 HydrophobicContact CD1-CD1 4.31Å; L634-L680 HydrophobicContact CD2-CB 4.32Å; M676-L680 HydrophobicContact CG-CD1 4.04Å; M676-L680 VanDerWaalsContact O-CG 3.27Å; M676-L680 WeakPolarHBondContact O-CG 3.19Å; M676-L680 PolarHBondContact O-N 3.42Å; M676-L680 HydrophobicContact SD-CD1 4.43Å; M676-L680 HydrophobicContact SD-CG 4.4Å; F677-L680 PolarHBondContact O-N 3.3Å; F677-L680 VanDerWaalsContact O-N 3.13Å; L680-G684 CarbonylContact O-C 3.6Å; L680-G684 VanDerWaalsContact O-CA 3.31Å; L680-G684 WeakPolarHBondContact O-CA 3.45Å; L680-G684 PolarHBondContact O-N 2.97Å; L680-F685 HydrophobicContact CD2-CB 4.23Å; L680-F685 PolarHBondContact O-N 3.3Å; L680-F685 VanDerWaalsContact O-N 3.1Å; L680-Q686 WeakPolarHBondContact O-CB 3.3Å; L680-Q686 WeakPolarHBondContact O-CG 3.46Å; L680-Q686 PolarHBondContact O-N 2.69Å; L680-L689 HydrophobicContact CD2-CD1 4.02Å; L680-I694 HydrophobicContact CD1-CG2 3.99Å; L680-I694 HydrophobicContact CD2-CG1 4.17Å; L680-I698 HydrophobicContact CD1-CD1 3.89Å; L680-I698 HydrophobicContact CD1-CG1 4.06Å
681T93.4Very high94Very high31 Ų3127.5 Ų27.519%0.1915%0.145CC..Hα-helixtrans-85.5-66.3-175.956.50000112.2L634 F677 G684L634-T681 HydrophobicContact CD2-CG2 3.98Å; F677-T681 HydrophobicContact CD2-CG2 4.12Å; F677-T681 HydrophobicContact CE1-CG2 4.47Å; F677-T681 HydrophobicContact CE2-CG2 3.65Å; F677-T681 HydrophobicContact CZ-CG2 3.85Å; F677-T681 PolarHBondContact O-N 3.01Å; F677-T681 PolarHBondContact O-OG1 3.28Å; T681-G684 PolarHBondContact O-N 3.46Å; T681-G684 VanDerWaalsContact O-N 3.13Å
682T87.8Confident94Very high65 Ų6528.4 Ų28.440%0.39915%0.151SC..THydrogen-bonded Turntrans-65.8-44.5-172.9-53.80000111.8D609 A678 K890D609-T682 PolarHBondContact O-OG1 3.37Å; A678-T682 WeakPolarHBondContact O-CA 3.4Å; A678-T682 WeakPolarHBondContact O-CB 3.43Å; A678-T682 PolarHBondContact O-N 3.1Å; T682-K890 WeakPolarHBondContact O-CD 3.5Å; T682-K890 PolarHBondContact O-NZ 3.3Å
683A87.7Confident93.9Very high4 Ų428.5 Ų28.53%0.03315%0.151CC..SBendtrans-78.3-20.2173.300000113.3A678 M679 F685 N888 K890 L891A678-A683 PolarHBondContact O-N 3.17Å; M679-A683 VanDerWaalsContact O-CB 3.32Å; M679-A683 WeakPolarHBondContact O-CB 3.44Å; A683-F685 HydrophobicContact CB-CD2 4.18Å; A683-F685 HydrophobicContact CB-CE2 3.89Å; A683-F685 HydrophobicContact CB-CZ 4.41Å; A683-N888 PolarHBondContact O-ND2 2.88Å; A683-K890 HydrophobicContact CB-CB 4.23Å; A683-K890 WeakPolarHBondContact O-CD 3.31Å; A683-L891 HydrophobicContact CB-CD2 3.58Å; A683-L891 HydrophobicContact CB-CG 4.22Å
684G89.3Confident93.8Very high8 Ų828.7 Ų28.78%0.08215%0.152CC..  trans87.518.2172.700000115.2M679 L680 T681 Q686 E687M679-G684 PolarHBondContact O-N 3.29Å; L680-G684 CarbonylContact O-C 3.6Å; L680-G684 VanDerWaalsContact O-CA 3.31Å; L680-G684 WeakPolarHBondContact O-CA 3.45Å; L680-G684 PolarHBondContact O-N 2.97Å; T681-G684 PolarHBondContact O-N 3.46Å; T681-G684 VanDerWaalsContact O-N 3.13Å; G684-Q686 PolarHBondContact O-N 2.9Å; G684-Q686 VanDerWaalsContact O-N 3.15Å; G684-E687 PolarHBondContact O-N 3.49Å; G684-E687 VanDerWaalsContact O-N 3.14Å
685F92.3Very high93.8Very high1 Ų128.7 Ų28.70%0.00415%0.152CC..G310 helixtrans-66.2-11.4176.6-60.8-54.3000113.9M679 L680 A683 E687 I688 L689 F807 L811 V887 N888 L891M679-F685 HydrophobicContact CB-CD2 4.15Å; M679-F685 HydrophobicContact CB-CE2 4.4Å; M679-F685 HydrophobicContact CE-CE2 4.19Å; M679-F685 WeakPolarHBondContact O-CD2 3.34Å; L680-F685 HydrophobicContact CD2-CB 4.23Å; L680-F685 PolarHBondContact O-N 3.3Å; L680-F685 VanDerWaalsContact O-N 3.1Å; A683-F685 HydrophobicContact CB-CD2 4.18Å; A683-F685 HydrophobicContact CB-CE2 3.89Å; A683-F685 HydrophobicContact CB-CZ 4.41Å; F685-E687 PolarHBondContact O-N 3.14Å; F685-I688 HydrophobicContact CD1-CD1 4.13Å; F685-I688 WeakPolarHBondContact O-CB 3.37Å; F685-I688 PolarHBondContact O-N 2.9Å; F685-L689 PolarHBondContact O-N 3.1Å; F685-F807 HydrophobicContact CD1-CE1 4.12Å; F685-F807 AromaticContact CD1-CZ 3.66Å; F685-F807 HydrophobicContact CD1-CZ 3.66Å; F685-F807 HydrophobicContact CD2-CZ 4.25Å; F685-F807 HydrophobicContact CE1-CE1 4.44Å; F685-F807 HydrophobicContact CE1-CE2 4.32Å; F685-F807 AromaticContact CE1-CZ 3.56Å; F685-F807 HydrophobicContact CE1-CZ 3.56Å; F685-F807 HydrophobicContact CE2-CZ 4.16Å; F685-F807 HydrophobicContact CG-CE1 4.37Å; F685-F807 HydrophobicContact CG-CZ 4.03Å; F685-F807 HydrophobicContact CZ-CE2 4.37Å; F685-F807 AromaticContact CZ-CZ 3.82Å; F685-F807 HydrophobicContact CZ-CZ 3.82Å; F685-L811 HydrophobicContact CD2-CD1 4.5Å; F685-L811 HydrophobicContact CD2-CD2 4.29Å; F685-L811 HydrophobicContact CE2-CD2 4.12Å; F685-V887 HydrophobicContact CE1-CG1 4.41Å; F685-N888 HydrophobicContact CE1-CB 3.78Å; F685-N888 WeakPolarHBondContact CE1-ND2 3.43Å; F685-N888 HydrophobicContact CZ-CB 3.63Å; F685-L891 HydrophobicContact CE2-CD1 3.87Å; F685-L891 HydrophobicContact CE2-CD2 4.26Å; F685-L891 HydrophobicContact CE2-CG 4.35Å; F685-L891 HydrophobicContact CZ-CD1 3.82Å; F685-L891 HydrophobicContact CZ-CG 4.4Å
686Q92.1Very high93.8Very high80 Ų8028.7 Ų28.737%0.37415%0.152SC..G310 helixtrans-60.2-23.4168.869.1-177.6-8.500114L680 G684 I688 I694L680-Q686 WeakPolarHBondContact O-CB 3.3Å; L680-Q686 WeakPolarHBondContact O-CG 3.46Å; L680-Q686 PolarHBondContact O-N 2.69Å; G684-Q686 PolarHBondContact O-N 2.9Å; G684-Q686 VanDerWaalsContact O-N 3.15Å; Q686-I688 VanDerWaalsContact C-N 3.26Å; Q686-I694 HydrophobicContact CB-CD1 4.25Å
687E89.3Confident93.8Very high167 Ų16728.7 Ų28.778%0.7815%0.152SC*.G310 helixtrans-80.5-10.5176.2-63.2174.2-158.900112.5G684 F685G684-E687 PolarHBondContact O-N 3.49Å; G684-E687 VanDerWaalsContact O-N 3.14Å; F685-E687 PolarHBondContact O-N 3.14Å
688I90.6Very high93.8Very high52 Ų5228.7 Ų28.727%0.26715%0.152SC..THydrogen-bonded Turntrans-113.6-41.2-167-70.5-178.4000111.8F685 Q686 W798F685-I688 HydrophobicContact CD1-CD1 4.13Å; F685-I688 WeakPolarHBondContact O-CB 3.37Å; F685-I688 PolarHBondContact O-N 2.9Å; Q686-I688 VanDerWaalsContact C-N 3.26Å; I688-W798 HydrophobicContact CB-CE3 4.47Å; I688-W798 HydrophobicContact CD1-CD2 4.4Å; I688-W798 HydrophobicContact CD1-CH2 4.45Å; I688-W798 HydrophobicContact CD1-CZ2 3.95Å; I688-W798 HydrophobicContact CG2-CD2 3.31Å; I688-W798 HydrophobicContact CG2-CE3 2.99Å; I688-W798 HydrophobicContact CG2-CG 4Å; I688-W798 HydrophobicContact CG2-CH2 3.88Å; I688-W798 HydrophobicContact CG2-CZ2 4.13Å; I688-W798 HydrophobicContact CG2-CZ3 3.31Å
689L93.4Very high93.9Very high8 Ų828.7 Ų28.74%0.04215%0.152CC..SBendtrans-85.8144.1175.3-63.2179.9000110.2L680 F685 E693 I694 F807 L811L680-L689 HydrophobicContact CD2-CD1 4.02Å; F685-L689 PolarHBondContact O-N 3.1Å; L689-E693 HydrophobicContact CB-CB 4.28Å; L689-I694 HydrophobicContact CB-CD1 4.35Å; L689-I694 HydrophobicContact CB-CG1 3.78Å; L689-F807 HydrophobicContact CD2-CD1 4.5Å; L689-L811 HydrophobicContact CD1-CD1 4.31Å
690T93.8Very high94.1Very high70 Ų7028.7 Ų28.743%0.42915%0.152SC..  trans-69.7153.8172.262.20000111V692 E693 I694T690-V692 PolarHBondContact O-N 3.2Å; T690-V692 VanDerWaalsContact O-N 3.08Å; T690-E693 WeakPolarHBondContact CB-OE2 3.43Å; T690-E693 WeakPolarHBondContact CG2-OE2 3.4Å; T690-E693 PolarHBondContact N-OE2 2.88Å; T690-E693 WeakPolarHBondContact O-CA 3.38Å; T690-E693 WeakPolarHBondContact O-CB 3.27Å; T690-E693 PolarHBondContact O-N 3.16Å; T690-E693 VanDerWaalsContact OG1-CG 3.29Å; T690-E693 WeakPolarHBondContact OG1-CG 3.4Å; T690-E693 PolarHBondContact OG1-N 3.16Å; T690-E693 PolarHBondContact OG1-OE2 3.13Å; T690-I694 WeakPolarHBondContact O-CG1 3.47Å; T690-I694 PolarHBondContact O-N 3.29Å
691E93.9Very high94.2Very high76 Ų7628.7 Ų28.736%0.35515%0.152SC..Hα-helixtrans-51.3-36.2178.8-56.9-68.3179.200113.3M636 K639 F640 I694 L695M636-E691 WeakPolarHBondContact CE-OE2 3.23Å; K639-E691 HydrophobicContact CD-CG 4.28Å; K639-E691 VanDerWaalsContact CD-OE2 3.23Å; K639-E691 WeakPolarHBondContact CD-OE2 3.33Å; K639-E691 VanDerWaalsContact CE-OE1 3.3Å; K639-E691 WeakPolarHBondContact CE-OE1 3.44Å; K639-E691 WeakPolarHBondContact CE-OE2 3.45Å; K639-E691 IonicContact NZ-OE1 2.98Å; K639-E691 PolarHBondContact NZ-OE1 2.68Å; K639-E691 IonicContact NZ-OE2 3.2Å; K639-E691 PolarHBondContact NZ-OE2 3.28Å; F640-E691 HydrophobicContact CE2-CB 4.03Å; F640-E691 HydrophobicContact CZ-CB 3.7Å; E691-I694 PolarHBondContact O-N 3.36Å; E691-L695 WeakPolarHBondContact O-CB 3.23Å; E691-L695 PolarHBondContact O-N 3.45Å
692V95.1Very high94.4Very high31 Ų3127.2 Ų27.219%0.18814%0.143CC..Hα-helixtrans-73.6-37.9178.6-173.50000111.3F640 T690 A696 L764 L767F640-V692 HydrophobicContact CE1-CG2 4.05Å; F640-V692 HydrophobicContact CZ-CG2 4.03Å; T690-V692 PolarHBondContact O-N 3.2Å; T690-V692 VanDerWaalsContact O-N 3.08Å; V692-A696 VanDerWaalsContact O-CB 3.26Å; V692-A696 WeakPolarHBondContact O-CB 3.46Å; V692-A696 PolarHBondContact O-N 2.94Å; V692-L764 HydrophobicContact CG1-CB 3.89Å; V692-L764 HydrophobicContact CG1-CD1 4.23Å; V692-L764 HydrophobicContact CG1-CG 4.29Å; V692-L767 HydrophobicContact CG1-CD1 3.93Å
693E96.2Very high95Very high5 Ų524.1 Ų24.12%0.02312%0.124CC..Hα-helixtrans-64.5-42.9171.8-71.8158.9152.900110.2L689 T690 A696 V697 L767 R804 R808L689-E693 HydrophobicContact CB-CB 4.28Å; T690-E693 WeakPolarHBondContact CB-OE2 3.43Å; T690-E693 WeakPolarHBondContact CG2-OE2 3.4Å; T690-E693 PolarHBondContact N-OE2 2.88Å; T690-E693 WeakPolarHBondContact O-CA 3.38Å; T690-E693 WeakPolarHBondContact O-CB 3.27Å; T690-E693 PolarHBondContact O-N 3.16Å; T690-E693 VanDerWaalsContact OG1-CG 3.29Å; T690-E693 WeakPolarHBondContact OG1-CG 3.4Å; T690-E693 PolarHBondContact OG1-N 3.16Å; T690-E693 PolarHBondContact OG1-OE2 3.13Å; E693-A696 PolarHBondContact O-N 3.37Å; E693-V697 WeakPolarHBondContact O-CB 3.12Å; E693-V697 WeakPolarHBondContact O-CG2 3.37Å; E693-V697 PolarHBondContact O-N 2.83Å; E693-L767 HydrophobicContact CG-CD1 3.99Å; E693-L767 HydrophobicContact CG-CD2 4.11Å; E693-R804 IonicContact OE1-CZ 2.76Å; E693-R804 IonicContact OE1-NE 3.5Å; E693-R804 PolarHBondContact OE1-NE 3.44Å; E693-R804 IonicContact OE1-NH2 3.3Å; E693-R804 PolarHBondContact OE1-NH2 2.74Å; E693-R804 IonicContact OE2-NE 2.65Å; E693-R804 PolarHBondContact OE2-NE 2.95Å; E693-R808 IonicContact OE1-NH1 2.76Å
694I97.1Very high95.5Very high3 Ų323.9 Ų23.92%0.01512%0.122CC..Hα-helixtrans-61.5-50.3177.1-63.7169.4000111.2L634 M636 L680 Q686 L689 T690 E691 A696 V697 I698L634-I694 HydrophobicContact CD1-CG2 4.13Å; M636-I694 HydrophobicContact CE-CB 4Å; M636-I694 HydrophobicContact CE-CG2 3.58Å; M636-I694 HydrophobicContact SD-CG2 4.22Å; L680-I694 HydrophobicContact CD1-CG2 3.99Å; L680-I694 HydrophobicContact CD2-CG1 4.17Å; Q686-I694 HydrophobicContact CB-CD1 4.25Å; L689-I694 HydrophobicContact CB-CD1 4.35Å; L689-I694 HydrophobicContact CB-CG1 3.78Å; T690-I694 WeakPolarHBondContact O-CG1 3.47Å; T690-I694 PolarHBondContact O-N 3.29Å; E691-I694 PolarHBondContact O-N 3.36Å; I694-A696 VanDerWaalsContact C-N 3.35Å; I694-A696 PolarHBondContact O-N 2.95Å; I694-V697 PolarHBondContact O-N 3.12Å; I694-I698 HydrophobicContact CG2-CG1 4.49Å; I694-I698 PolarHBondContact O-N 3.4Å
695L97.4Very high95.9Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-59.7-44.9178.4-178.457.7000111.7F631 M636 F640 I642 E691 V697 V699 F753 L764F631-L695 HydrophobicContact CD1-CD1 4.46Å; F631-L695 HydrophobicContact CE1-CD1 3.84Å; M636-L695 HydrophobicContact CB-CD1 4.36Å; M636-L695 HydrophobicContact CG-CD1 4.41Å; M636-L695 HydrophobicContact SD-CB 3.73Å; M636-L695 HydrophobicContact SD-CD1 4.17Å; M636-L695 HydrophobicContact SD-CG 4.46Å; F640-L695 HydrophobicContact CB-CD2 4.42Å; F640-L695 HydrophobicContact CD1-CD2 4.34Å; F640-L695 HydrophobicContact CD2-CB 4.48Å; F640-L695 HydrophobicContact CD2-CD2 3.56Å; F640-L695 HydrophobicContact CE2-CB 3.98Å; F640-L695 HydrophobicContact CE2-CD2 3.79Å; F640-L695 HydrophobicContact CE2-CG 4.47Å; F640-L695 HydrophobicContact CG-CD2 3.84Å; F640-L695 HydrophobicContact CZ-CB 4.49Å; F640-L695 HydrophobicContact CZ-CD2 4.26Å; I642-L695 HydrophobicContact CD1-CD1 4.32Å; E691-L695 WeakPolarHBondContact O-CB 3.23Å; E691-L695 PolarHBondContact O-N 3.45Å; L695-V697 VanDerWaalsContact C-N 3.3Å; L695-V697 PolarHBondContact O-N 3.06Å; L695-V699 HydrophobicContact CD1-CG2 4.03Å; L695-V699 WeakPolarHBondContact O-CB 3.5Å; L695-V699 VanDerWaalsContact O-CG2 3.28Å; L695-V699 WeakPolarHBondContact O-CG2 3.49Å; L695-V699 PolarHBondContact O-N 3.03Å; L695-F753 HydrophobicContact CD1-CE1 4.3Å; L695-F753 HydrophobicContact CD2-CD1 4.07Å; L695-F753 HydrophobicContact CD2-CE1 3.83Å; L695-F753 HydrophobicContact CG-CE1 3.94Å; L695-L764 HydrophobicContact CB-CD1 4.36Å; L695-L764 HydrophobicContact CD2-CD1 3.62Å; L695-L764 HydrophobicContact CG-CD1 3.95Å
696A97.6Very high96.2Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-63.2-34.6178.600000112.9V692 E693 I694 G700 L764 L767V692-A696 VanDerWaalsContact O-CB 3.26Å; V692-A696 WeakPolarHBondContact O-CB 3.46Å; V692-A696 PolarHBondContact O-N 2.94Å; E693-A696 PolarHBondContact O-N 3.37Å; I694-A696 VanDerWaalsContact C-N 3.35Å; I694-A696 PolarHBondContact O-N 2.95Å; A696-G700 PolarHBondContact O-N 3.25Å; A696-L764 HydrophobicContact CB-CG 4.25Å; A696-L767 HydrophobicContact CB-CB 3.51Å
697V97.7Very high96.4Very high1 Ų120.9 Ų20.91%0.00611%0.107CC..Hα-helixtrans-76.1-45.9179.6173.60000111.8M676 E693 I694 L695 V699 G700 C701 R808M676-V697 HydrophobicContact CE-CG1 3.28Å; M676-V697 HydrophobicContact CG-CG1 3.68Å; M676-V697 HydrophobicContact SD-CG1 3.43Å; M676-V697 WeakPolarHBondContact SD-CG1 3.5Å; E693-V697 WeakPolarHBondContact O-CB 3.12Å; E693-V697 WeakPolarHBondContact O-CG2 3.37Å; E693-V697 PolarHBondContact O-N 2.83Å; I694-V697 PolarHBondContact O-N 3.12Å; L695-V697 VanDerWaalsContact C-N 3.3Å; L695-V697 PolarHBondContact O-N 3.06Å; V697-V699 PolarHBondContact O-N 2.92Å; V697-G700 CarbonylContact O-C 3.59Å; V697-G700 WeakPolarHBondContact O-CA 3.49Å; V697-G700 PolarHBondContact O-N 3.34Å; V697-G700 VanDerWaalsContact O-N 3.12Å; V697-C701 PolarHBondContact O-N 3.38Å; V697-C701 PolarHBondContact O-SG 2.7Å; V697-R808 HydrophobicContact CG2-CG 3.42Å; V697-R808 VanDerWaalsContact CG2-CG 3.42Å
698I98.1Very high96.7Very high0 Ų013.5 Ų13.50%07%0.072CC..Hα-helixtrans-62.4-44.1177.3-71.3-67.9000111F631 L634 M676 F677 L680 I694 G700 C701 L702F631-I698 HydrophobicContact CD2-CG2 4.2Å; F631-I698 HydrophobicContact CE1-CG2 4.36Å; F631-I698 HydrophobicContact CE2-CG2 3.61Å; F631-I698 HydrophobicContact CZ-CG2 3.71Å; L634-I698 HydrophobicContact CD1-CD1 3.94Å; L634-I698 HydrophobicContact CD1-CG1 3.71Å; M676-I698 HydrophobicContact CB-CD1 4.49Å; M676-I698 HydrophobicContact CG-CD1 4.02Å; F677-I698 HydrophobicContact CB-CD1 4.45Å; L680-I698 HydrophobicContact CD1-CD1 3.89Å; L680-I698 HydrophobicContact CD1-CG1 4.06Å; I694-I698 HydrophobicContact CG2-CG1 4.49Å; I694-I698 PolarHBondContact O-N 3.4Å; I698-G700 VanDerWaalsContact C-N 3.31Å; I698-G700 PolarHBondContact O-N 2.93Å; I698-C701 PolarHBondContact O-N 3.24Å; I698-L702 PolarHBondContact O-N 3.18Å
699V98.4Very high96.9Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-63.7-39.2173.1173.20000111F631 W650 L695 V697 L702 C703 I752 F753 L768F631-V699 HydrophobicContact CE1-CG2 4.18Å; F631-V699 HydrophobicContact CZ-CG2 3.92Å; W650-V699 HydrophobicContact CH2-CB 4.42Å; W650-V699 HydrophobicContact CH2-CG1 4.1Å; W650-V699 HydrophobicContact CH2-CG2 4.1Å; W650-V699 HydrophobicContact CZ2-CG1 3.73Å; W650-V699 HydrophobicContact CZ2-CG2 4.4Å; L695-V699 HydrophobicContact CD1-CG2 4.03Å; L695-V699 WeakPolarHBondContact O-CB 3.5Å; L695-V699 VanDerWaalsContact O-CG2 3.28Å; L695-V699 WeakPolarHBondContact O-CG2 3.49Å; L695-V699 PolarHBondContact O-N 3.03Å; V697-V699 PolarHBondContact O-N 2.92Å; V699-L702 PolarHBondContact O-N 2.76Å; V699-C703 VanDerWaalsContact O-CB 3.28Å; V699-C703 WeakPolarHBondContact O-CB 3.43Å; V699-C703 PolarHBondContact O-N 3.32Å; V699-C703 VanDerWaalsContact O-N 3.13Å; V699-C703 PolarHBondContact O-SG 2.8Å; V699-I752 HydrophobicContact CG2-CD1 3.72Å; V699-F753 HydrophobicContact CB-CZ 4.3Å; V699-F753 HydrophobicContact CG1-CZ 3.99Å; V699-F753 HydrophobicContact CG2-CE1 4.18Å; V699-F753 HydrophobicContact CG2-CZ 3.94Å; V699-L768 HydrophobicContact CB-CD1 4.25Å; V699-L768 HydrophobicContact CG1-CD1 3.8Å; V699-L768 HydrophobicContact CG1-CD2 4.11Å
700G98.4Very high97Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-57.6-50.3174.100000112.6A696 V697 I698 L702 C703 H704A696-G700 PolarHBondContact O-N 3.25Å; V697-G700 CarbonylContact O-C 3.59Å; V697-G700 WeakPolarHBondContact O-CA 3.49Å; V697-G700 PolarHBondContact O-N 3.34Å; V697-G700 VanDerWaalsContact O-N 3.12Å; I698-G700 VanDerWaalsContact C-N 3.31Å; I698-G700 PolarHBondContact O-N 2.93Å; G700-L702 VanDerWaalsContact C-N 3.31Å; G700-L702 PolarHBondContact O-N 2.92Å; G700-C703 CarbonylContact O-C 3.59Å; G700-C703 PolarHBondContact O-N 3.18Å; G700-H704 WeakPolarHBondContact O-CB 3.21Å; G700-H704 PolarHBondContact O-N 3.32Å
701C98.6Very high97Very high0 Ų013 Ų130%06%0.062CC..Hα-helixtrans-55-45.8178.6-64.80000111.9V672 C673 V697 I698 C703 H704 M812V672-C701 HydrophobicContact CG1-CB 4.05Å; C673-C701 HydrophobicContact CB-CB 3.84Å; V697-C701 PolarHBondContact O-N 3.38Å; V697-C701 PolarHBondContact O-SG 2.7Å; I698-C701 PolarHBondContact O-N 3.24Å; C701-C703 VanDerWaalsContact C-N 3.26Å; C701-C703 PolarHBondContact O-N 3.49Å; C701-H704 PolarHBondContact O-ND1 3.27Å; C701-M812 HydrophobicContact CB-CE 4.37Å
702L98.6Very high97Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-71.9-16.9178.6-66.6173.9000113.9F631 W650 L651 V654 Y658 W666 C673 I698 V699 G700F631-L702 HydrophobicContact CE2-CD1 3.75Å; F631-L702 HydrophobicContact CZ-CD1 4.36Å; W650-L702 HydrophobicContact CH2-CB 4.32Å; W650-L702 HydrophobicContact CH2-CD1 4.01Å; W650-L702 HydrophobicContact CZ3-CD1 4.1Å; L651-L702 HydrophobicContact CD1-CD1 3.8Å; V654-L702 HydrophobicContact CG1-CB 4.48Å; V654-L702 VanDerWaalsContact CG1-O 3.25Å; V654-L702 WeakPolarHBondContact CG1-O 3.43Å; Y658-L702 VanDerWaalsContact CE2-O 3.28Å; Y658-L702 WeakPolarHBondContact CE2-O 3.3Å; Y658-L702 PolarHBondContact OH-O 3.12Å; W666-L702 HydrophobicContact CH2-CD2 3.82Å; W666-L702 HydrophobicContact CZ3-CD2 4Å; C673-L702 HydrophobicContact CB-CD2 3.54Å; C673-L702 HydrophobicContact CB-CG 3.9Å; I698-L702 PolarHBondContact O-N 3.18Å; V699-L702 PolarHBondContact O-N 2.76Å; G700-L702 VanDerWaalsContact C-N 3.31Å; G700-L702 PolarHBondContact O-N 2.92Å
703C98.6Very high96.9Very high0 Ų011.6 Ų11.60%06%0.056CC..Hα-helixtrans-111.6-10.1-174.2-66.90000114.9V699 G700 C701 D705 L706 A741 I772V699-C703 VanDerWaalsContact O-CB 3.28Å; V699-C703 WeakPolarHBondContact O-CB 3.43Å; V699-C703 PolarHBondContact O-N 3.32Å; V699-C703 VanDerWaalsContact O-N 3.13Å; V699-C703 PolarHBondContact O-SG 2.8Å; G700-C703 CarbonylContact O-C 3.59Å; G700-C703 PolarHBondContact O-N 3.18Å; C701-C703 VanDerWaalsContact C-N 3.26Å; C701-C703 PolarHBondContact O-N 3.49Å; C703-D705 PolarHBondContact O-N 3.35Å; C703-D705 VanDerWaalsContact O-N 3.13Å; C703-L706 HydrophobicContact CB-CD1 3.77Å; C703-L706 HydrophobicContact CB-CG 4.49Å; C703-L706 PolarHBondContact O-N 3.45Å; C703-A741 HydrophobicContact CB-CB 3.81Å; C703-I772 HydrophobicContact CB-CD1 3.81Å
704H98.4Very high96.7Very high0 Ų013.8 Ų13.80%08%0.075CC..THydrogen-bonded Turntrans-63.8-23.8-164.377.7-81.2000114.9H668 G700 C701 H737 I772 T775 D816H668-H704 AromaticContact CD2-CE1 3.85Å; H668-H704 AromaticContact CD2-NE2 3.69Å; H668-H704 AromaticContact NE2-CD2 3.58Å; H668-H704 AromaticContact NE2-CE1 3.14Å; H668-H704 PolarHBondContact NE2-CE1 3.08Å; H668-H704 AromaticContact NE2-NE2 2.39Å; H668-H704 PolarHBondContact NE2-NE2 3.11Å; G700-H704 WeakPolarHBondContact O-CB 3.21Å; G700-H704 PolarHBondContact O-N 3.32Å; C701-H704 PolarHBondContact O-ND1 3.27Å; H704-H737 WeakPolarHBondContact O-CB 3.41Å; H704-H737 PolarHBondContact O-CD2 3.16Å; H704-I772 HydrophobicContact CB-CG1 4.4Å; H704-T775 HydrophobicContact CB-CG2 4.04Å; H704-D816 IonicContact NE2-OD1 2.76Å
705D98.4Very high96.5Very high12 Ų1213.9 Ų13.96%0.0648%0.075CC..THydrogen-bonded Turntrans-119.118.8-176.2-96.80.1000113Y658 H664 H668 C703 D707 H708Y658-D705 VanDerWaalsContact CE1-C 3.48Å; Y658-D705 HydrophobicContact CE1-CB 3.63Å; Y658-D705 WeakPolarHBondContact CE1-O 3.17Å; H664-D705 WeakPolarHBondContact CB-OD2 3.41Å; H664-D705 IonicContact CD2-OD2 3.85Å; H664-D705 PolarHBondContact CD2-OD2 3.17Å; H664-D705 IonicContact CG-OD2 2.67Å; H668-D705 IonicContact CD2-OD2 2.78Å; H668-D705 PolarHBondContact CD2-OD2 3.16Å; H668-D705 IonicContact NE2-OD2 3.95Å; H668-D705 PolarHBondContact NE2-OD2 3.09Å; H668-D705 VanDerWaalsContact NE2-OD2 3.16Å; C703-D705 PolarHBondContact O-N 3.35Å; C703-D705 VanDerWaalsContact O-N 3.13Å; D705-D707 PolarHBondContact O-N 2.96Å; D705-H708 HydrophobicContact CB-CB 4.32Å; D705-H708 WeakPolarHBondContact O-CB 3.35Å; D705-H708 PolarHBondContact O-N 3.02Å
706L97.6Very high96.3Very high0 Ų014.5 Ų14.50%08%0.078CC..THydrogen-bonded Turntrans-57.2127.9-177.1-88.2170.7000112.8V654 N657 Y658 C703 H708 H737 H740 A741 I744V654-L706 HydrophobicContact CG1-CD2 4.15Å; V654-L706 WeakPolarHBondContact O-CD2 3.5Å; N657-L706 HydrophobicContact CB-CD2 3.69Å; Y658-L706 HydrophobicContact CD2-CD2 3.91Å; Y658-L706 HydrophobicContact CE2-CD2 3.63Å; Y658-L706 HydrophobicContact CE2-CG 4.01Å; C703-L706 HydrophobicContact CB-CD1 3.77Å; C703-L706 HydrophobicContact CB-CG 4.49Å; C703-L706 PolarHBondContact O-N 3.45Å; L706-H708 VanDerWaalsContact C-N 3.26Å; L706-H708 PolarHBondContact O-N 3.2Å; L706-H737 PolarHBondContact O-CE1 3.2Å; L706-H737 PolarHBondContact O-ND1 2.98Å; L706-H740 HydrophobicContact CB-CB 4.24Å; L706-A741 HydrophobicContact CD1-CB 3.92Å; L706-I744 HydrophobicContact CD1-CD1 4.11Å; L706-I744 HydrophobicContact CD2-CD1 4.28Å
707D96.3Very high96.1Very high14 Ų1416.5 Ų16.58%0.0759%0.094CC..THydrogen-bonded Turntrans64.417-173.5-166.360.2000115.4N657 R659 D705 R709 H736N657-D707 PolarHBondContact O-N 3.29Å; N657-D707 VanDerWaalsContact O-N 3.13Å; R659-D707 IonicContact CZ-OD1 3.21Å; R659-D707 IonicContact NE-OD1 2.72Å; R659-D707 PolarHBondContact NE-OD1 3.29Å; R659-D707 IonicContact NH2-OD1 2.71Å; R659-D707 PolarHBondContact NH2-OD1 3.25Å; R659-D707 IonicContact NH2-OD2 3.11Å; D705-D707 PolarHBondContact O-N 2.96Å; D707-R709 WeakPolarHBondContact O-CG 3.49Å; D707-R709 IonicContact OD1-NH2 3.68Å; D707-R709 IonicContact OD2-CZ 3.89Å; D707-R709 IonicContact OD2-NE 2.91Å; D707-R709 PolarHBondContact OD2-NE 3.21Å; D707-R709 IonicContact OD2-NH2 2.65Å; D707-R709 PolarHBondContact OD2-NH2 2.89Å; D707-H736 IonicContact OD2-CD2 2.63Å; D707-H736 IonicContact OD2-CE1 2.78Å; D707-H736 IonicContact OD2-NE2 2.77Å; D707-H736 PolarHBondContact OD2-NE2 3.25Å
708H96.8Very high95.8Very high12 Ų1221.4 Ų21.46%0.05612%0.116CC..  trans-57.5137.8176.7-170.5-93.2000112.9R659 H664 D705 L706 G710 T711 H737 E837R659-H708 WeakPolarHBondContact CB-O 3.42Å; R659-H708 VanDerWaalsContact CD-O 3.3Å; R659-H708 WeakPolarHBondContact CD-O 3.31Å; H664-H708 HydrophobicContact CB-CB 4.09Å; H664-H708 WeakPolarHBondContact CB-ND1 3.49Å; H664-H708 AromaticContact CE1-CE1 3.95Å; H664-H708 AromaticContact CG-CE1 3.61Å; H664-H708 AromaticContact CG-ND1 3.51Å; H664-H708 AromaticContact ND1-CE1 3.4Å; H664-H708 PolarHBondContact ND1-CE1 2.81Å; H664-H708 AromaticContact ND1-ND1 3.66Å; D705-H708 HydrophobicContact CB-CB 4.32Å; D705-H708 WeakPolarHBondContact O-CB 3.35Å; D705-H708 PolarHBondContact O-N 3.02Å; L706-H708 VanDerWaalsContact C-N 3.26Å; L706-H708 PolarHBondContact O-N 3.2Å; H708-G710 PolarHBondContact ND1-N 3.36Å; H708-T711 PolarHBondContact NE2-O 3.47Å; H708-H737 AromaticContact CD2-NE2 3.76Å; H708-E837 IonicContact CE1-OE1 4Å
709R94.6Very high95.5Very high107 Ų10723.5 Ų23.540%0.40413%0.131SC..  trans-11113.1-161.6-56.2-169.8173.1-140.8-3.6114.9D707 T711D707-R709 WeakPolarHBondContact O-CG 3.49Å; D707-R709 IonicContact OD1-NH2 3.68Å; D707-R709 IonicContact OD2-CZ 3.89Å; D707-R709 IonicContact OD2-NE 2.91Å; D707-R709 PolarHBondContact OD2-NE 3.21Å; D707-R709 IonicContact OD2-NH2 2.65Å; D707-R709 PolarHBondContact OD2-NH2 2.89Å; R709-T711 VanDerWaalsContact C-N 3.34Å
710G94.7Very high95.1Very high10 Ų1025.3 Ų25.310%0.10315%0.149CC..SBendtrans72.925.2-177.900000114H708 E837H708-G710 PolarHBondContact ND1-N 3.36Å; G710-E837 WeakPolarHBondContact CA-OE1 3.39Å
711T94.1Very high94.7Very high2 Ų226.4 Ų26.41%0.01216%0.157CC..  trans-151.2137.5-177.759.20000111.2H708 R709 F715 Q716 L733 Q841 R844H708-T711 PolarHBondContact NE2-O 3.47Å; R709-T711 VanDerWaalsContact C-N 3.34Å; T711-F715 HydrophobicContact CG2-CD1 3.83Å; T711-F715 HydrophobicContact CG2-CD2 4.47Å; T711-F715 HydrophobicContact CG2-CE1 4.13Å; T711-F715 HydrophobicContact CG2-CG 4.04Å; T711-Q716 PolarHBondContact OG1-NE2 3.13Å; T711-L733 WeakPolarHBondContact O-CD1 3.28Å; T711-Q841 VanDerWaalsContact CA-OE1 3.29Å; T711-Q841 HydrophobicContact CG2-CB 4.48Å; T711-Q841 HydrophobicContact CG2-CG 4.31Å; T711-R844 VanDerWaalsContact CG2-NH1 3.27Å
712N93.9Very high94.4Very high49 Ų4930.1 Ų30.126%0.26219%0.188SC..  trans-79.2171-177.864.425.5000115.4A714 F715 Q716 Q841 F857N712-A714 PolarHBondContact O-N 2.73Å; N712-A714 PolarHBondContact OD1-N 3.24Å; N712-F715 WeakPolarHBondContact O-CB 3.25Å; N712-F715 PolarHBondContact O-N 2.67Å; N712-F715 PolarHBondContact OD1-N 2.89Å; N712-Q716 PolarHBondContact O-N 3.29Å; N712-Q841 PolarHBondContact ND2-NE2 3.04Å; N712-Q841 PolarHBondContact OD1-NE2 3.12Å; N712-F857 WeakPolarHBondContact ND2-CZ 3.49Å
713N93.3Very high94Very high29 Ų2931.2 Ų31.216%0.15519%0.193CC..Hα-helixtrans-52.1-37.8177.3-77.4-30.1000113.4F715 Q716 A717 T732 L733 E734N713-F715 PolarHBondContact O-N 3.06Å; N713-Q716 PolarHBondContact O-N 3.42Å; N713-A717 PolarHBondContact O-N 3Å; N713-T732 WeakPolarHBondContact OD1-CB 3.39Å; N713-T732 PolarHBondContact OD1-N 2.84Å; N713-L733 VanDerWaalsContact OD1-CB 3.31Å; N713-L733 WeakPolarHBondContact OD1-CB 3.42Å; N713-L733 WeakPolarHBondContact OD1-CD1 3.35Å; N713-L733 WeakPolarHBondContact OD1-CG 3.33Å; N713-L733 PolarHBondContact OD1-N 2.95Å; N713-E734 PolarHBondContact ND2-OE1 3.27Å; N713-E734 VanDerWaalsContact ND2-OE1 3.09Å; N713-E734 PolarHBondContact ND2-OE2 3.21Å
714A92.1Very high93.6Very high51 Ų5131.8 Ų31.842%0.42120%0.198SC..Hα-helixtrans-65.5-37.4177.900000112.7N712 K718N712-A714 PolarHBondContact O-N 2.73Å; N712-A714 PolarHBondContact OD1-N 3.24Å; A714-K718 WeakPolarHBondContact O-CB 3.43Å; A714-K718 WeakPolarHBondContact O-CD 3.24Å; A714-K718 WeakPolarHBondContact O-CG 3.31Å; A714-K718 PolarHBondContact O-N 2.69Å
715F93.3Very high93.1Very high4 Ų439.3 Ų39.32%0.01823%0.233CC..Hα-helixtrans-64.8-44.5172.5-174.1-84.9000111.8T711 N712 N713 A717 K718 S719 Q841 R844 E845 L849T711-F715 HydrophobicContact CG2-CD1 3.83Å; T711-F715 HydrophobicContact CG2-CD2 4.47Å; T711-F715 HydrophobicContact CG2-CE1 4.13Å; T711-F715 HydrophobicContact CG2-CG 4.04Å; N712-F715 WeakPolarHBondContact O-CB 3.25Å; N712-F715 PolarHBondContact O-N 2.67Å; N712-F715 PolarHBondContact OD1-N 2.89Å; N713-F715 PolarHBondContact O-N 3.06Å; F715-A717 VanDerWaalsContact C-N 3.32Å; F715-A717 PolarHBondContact O-N 3.01Å; F715-K718 PolarHBondContact O-N 3.39Å; F715-S719 WeakPolarHBondContact O-CB 3.28Å; F715-S719 PolarHBondContact O-N 2.76Å; F715-S719 PolarHBondContact O-OG 2.92Å; F715-Q841 HydrophobicContact CB-CG 4.48Å; F715-Q841 HydrophobicContact CD2-CG 3.89Å; F715-Q841 HydrophobicContact CG-CG 4.41Å; F715-R844 HydrophobicContact CE2-CB 4.07Å; F715-R844 HydrophobicContact CZ-CB 4.25Å; F715-E845 HydrophobicContact CD2-CG 3.55Å; F715-E845 HydrophobicContact CE2-CG 3.79Å; F715-L849 HydrophobicContact CD2-CD1 4.28Å; F715-L849 HydrophobicContact CE2-CD1 4Å; F715-L849 HydrophobicContact CZ-CD1 4.5Å
716Q93.9Very high92.6Very high13 Ų1344.2 Ų44.26%0.06126%0.259CS..Hα-helixtrans-58.6-44.1179.2-63.3-62-40.900111.3T711 N712 N713 S719 G720 S721 A724 L733T711-Q716 PolarHBondContact OG1-NE2 3.13Å; N712-Q716 PolarHBondContact O-N 3.29Å; N713-Q716 PolarHBondContact O-N 3.42Å; Q716-S719 PolarHBondContact O-OG 2.94Å; Q716-S719 VanDerWaalsContact O-OG 3.13Å; Q716-G720 PolarHBondContact O-N 3.47Å; Q716-S721 PolarHBondContact O-N 3.44Å; Q716-S721 PolarHBondContact OE1-OG 3.02Å; Q716-A724 HydrophobicContact CB-CB 4.48Å; Q716-A724 WeakPolarHBondContact O-CB 3.36Å; Q716-L733 HydrophobicContact CG-CD1 4.31Å; Q716-L733 HydrophobicContact CG-CD2 4.1Å; Q716-L733 HydrophobicContact CG-CG 4.22Å
717A92Very high92.1Very high42 Ų4247.3 Ų47.335%0.34727%0.271SS..Hα-helixtrans-64.8-49.3174.900000112.9N713 F715 S719 G720 T729N713-A717 PolarHBondContact O-N 3Å; F715-A717 VanDerWaalsContact C-N 3.32Å; F715-A717 PolarHBondContact O-N 3.01Å; A717-S719 VanDerWaalsContact C-N 3.3Å; A717-S719 PolarHBondContact O-N 3.46Å; A717-G720 PolarHBondContact O-N 3.45Å; A717-T729 HydrophobicContact CB-CG2 4.12Å
718K92.4Very high91.7Very high105 Ų10548 Ų4846%0.45728%0.282SS..Hα-helixtrans-61.1-36179.5-70165.3-177.2174.30113.1A714 F715 G720 E845 L849 L851A714-K718 WeakPolarHBondContact O-CB 3.43Å; A714-K718 WeakPolarHBondContact O-CD 3.24Å; A714-K718 WeakPolarHBondContact O-CG 3.31Å; A714-K718 PolarHBondContact O-N 2.69Å; F715-K718 PolarHBondContact O-N 3.39Å; K718-G720 VanDerWaalsContact C-N 3.33Å; K718-E845 IonicContact NZ-OE1 3.94Å; K718-E845 PolarHBondContact NZ-OE1 3.23Å; K718-E845 IonicContact NZ-OE2 2.69Å; K718-E845 PolarHBondContact NZ-OE2 3.2Å; K718-L849 HydrophobicContact CB-CD1 3.84Å; K718-L849 HydrophobicContact CD-CD1 4.36Å; K718-L851 HydrophobicContact CD-CD1 3.87Å
719S90.7Very high90.8Very high44 Ų4452.8 Ų52.831%0.30831%0.312SS..THydrogen-bonded Turntrans-81.3-8.5-179.158.30000114F715 Q716 A717 S721F715-S719 WeakPolarHBondContact O-CB 3.28Å; F715-S719 PolarHBondContact O-N 2.76Å; F715-S719 PolarHBondContact O-OG 2.92Å; Q716-S719 PolarHBondContact O-OG 2.94Å; Q716-S719 VanDerWaalsContact O-OG 3.13Å; A717-S719 VanDerWaalsContact C-N 3.3Å; A717-S719 PolarHBondContact O-N 3.46Å; S719-S721 VanDerWaalsContact C-N 3.27Å; S719-S721 PolarHBondContact O-N 2.78Å
720G89.8Confident90.2Very high38 Ų3851.5 Ų51.539%0.39232%0.32SS..THydrogen-bonded Turntrans63.531.4-176.800000113.4Q716 A717 K718 Q725Q716-G720 PolarHBondContact O-N 3.47Å; A717-G720 PolarHBondContact O-N 3.45Å; K718-G720 VanDerWaalsContact C-N 3.33Å; G720-Q725 PolarHBondContact O-NE2 3.42Å
721S91.6Very high89.9Confident22 Ų2251.2 Ų51.215%0.15432%0.316CS..  trans-62.1158.7-169.986.90000113.5Q716 S719 L723 A724 Q725Q716-S721 PolarHBondContact O-N 3.44Å; Q716-S721 PolarHBondContact OE1-OG 3.02Å; S719-S721 VanDerWaalsContact C-N 3.27Å; S719-S721 PolarHBondContact O-N 2.78Å; S721-L723 PolarHBondContact O-N 2.9Å; S721-L723 PolarHBondContact OG-N 3.06Å; S721-A724 PolarHBondContact O-N 2.77Å; S721-A724 PolarHBondContact OG-N 3.26Å; S721-Q725 WeakPolarHBondContact O-CG 3.29Å; S721-Q725 PolarHBondContact O-N 2.9Å
722A90.7Very high89.8Confident79 Ų7951.1 Ų51.165%0.65332%0.316SS*.Hα-helixtrans-57.8-30.4175.900000113.1L726A722-L726 VanDerWaalsContact O-CB 3.27Å; A722-L726 WeakPolarHBondContact O-CB 3.15Å; A722-L726 PolarHBondContact O-N 3.12Å
723L90.3Very high89.9Confident22 Ų2249 Ų4912%0.11530%0.304CS..Hα-helixtrans-70.4-42.7174.9-62.2-179.2000111.3S721 Q725 L726 Y727 T732 L733 H736S721-L723 PolarHBondContact O-N 2.9Å; S721-L723 PolarHBondContact OG-N 3.06Å; L723-Q725 VanDerWaalsContact C-N 3.31Å; L723-Q725 PolarHBondContact O-N 3.25Å; L723-L726 PolarHBondContact O-N 2.96Å; L723-Y727 HydrophobicContact CD2-CE2 4.19Å; L723-Y727 PolarHBondContact O-N 3.44Å; L723-T732 HydrophobicContact CB-CG2 4.12Å; L723-T732 WeakPolarHBondContact O-CG2 3.45Å; L723-L733 HydrophobicContact CD1-CD2 4.19Å; L723-H736 HydrophobicContact CD2-CB 4.42Å; L723-H736 WeakPolarHBondContact CD2-ND1 3.45Å
724A90.9Very high90.1Very high13 Ų1348.7 Ų48.711%0.10730%0.302CS..Hα-helixtrans-65.6-33.3175.400000112.5Q716 S721 G728 T732Q716-A724 HydrophobicContact CB-CB 4.48Å; Q716-A724 WeakPolarHBondContact O-CB 3.36Å; S721-A724 PolarHBondContact O-N 2.77Å; S721-A724 PolarHBondContact OG-N 3.26Å; A724-G728 CarbonylContact O-C 3.58Å; A724-G728 WeakPolarHBondContact O-CA 3.49Å; A724-G728 PolarHBondContact O-N 3.49Å; A724-T732 HydrophobicContact CB-CG2 4.38Å
725Q88.9Confident90.2Very high157 Ų15748.6 Ų48.673%0.73429%0.293SS*.Hα-helixtrans-70.9-33.8172.8-66.3179.11700112.7G720 S721 L723G720-Q725 PolarHBondContact O-NE2 3.42Å; S721-Q725 WeakPolarHBondContact O-CG 3.29Å; S721-Q725 PolarHBondContact O-N 2.9Å; L723-Q725 VanDerWaalsContact C-N 3.31Å; L723-Q725 PolarHBondContact O-N 3.25Å
726L87.8Confident90.4Very high116 Ų11649.3 Ų49.361%0.60730%0.296SS*.Hα-helixtrans-80.4-42.4-177.2-17861.9000113.3A722 L723A722-L726 VanDerWaalsContact O-CB 3.27Å; A722-L726 WeakPolarHBondContact O-CB 3.15Å; A722-L726 PolarHBondContact O-N 3.12Å; L723-L726 PolarHBondContact O-N 2.96Å
727Y86.2Confident90.5Very high64 Ų6448.8 Ų48.825%0.25129%0.293SS..Hα-helixtrans-107.7-8.3-174.8-56.9-52.9000114L723 T732 H735 H736 N739L723-Y727 HydrophobicContact CD2-CE2 4.19Å; L723-Y727 PolarHBondContact O-N 3.44Å; Y727-T732 WeakPolarHBondContact CD2-O 3.33Å; Y727-H735 HydrophobicContact CD1-CB 4.15Å; Y727-H735 HydrophobicContact CD2-CB 4.29Å; Y727-H735 HydrophobicContact CG-CB 3.94Å; Y727-H736 HydrophobicContact CD2-CB 4.2Å; Y727-H736 HydrophobicContact CE2-CB 3.65Å; Y727-H736 AromaticContact CE2-ND1 4Å; Y727-N739 WeakPolarHBondContact CE1-ND2 3.24Å; Y727-N739 VanDerWaalsContact CZ-ND2 3.31Å; Y727-N739 PolarHBondContact OH-ND2 3.41Å; Y727-N739 VanDerWaalsContact OH-ND2 3.08Å
728G87.4Confident90.8Very high30 Ų3047.7 Ų47.731%0.30928%0.281SS..  trans80.8-162.9-170.600000112.2A724 T732A724-G728 CarbonylContact O-C 3.58Å; A724-G728 WeakPolarHBondContact O-CA 3.49Å; A724-G728 PolarHBondContact O-N 3.49Å; G728-T732 WeakPolarHBondContact O-CG2 3.3Å; G728-T732 PolarHBondContact O-OG1 2.94Å
729T78.8Confident90.9Very high111 Ų11145.6 Ų45.668%0.68128%0.275SS*.SBendtrans-104.97.5-170.159.20000115A717A717-T729 HydrophobicContact CB-CG2 4.12Å
730S82.3Confident91.1Very high81 Ų8144.7 Ų44.757%0.56627%0.266SS*.SBendtrans-118.9128.7179.5-174.60000109.1T732S730-T732 PolarHBondContact O-N 3.33Å; S730-T732 VanDerWaalsContact O-N 3.13Å
731A87.5Confident91.4Very high4 Ų442.9 Ų42.93%0.03325%0.247CC..SBendtrans45.340.7-175.400000113.9L733 E734 H735 L773 D776A731-L733 PolarHBondContact O-N 3.14Å; A731-E734 WeakPolarHBondContact CA-OE2 3.36Å; A731-E734 HydrophobicContact CB-CB 4.33Å; A731-E734 PolarHBondContact O-N 3.34Å; A731-H735 VanDerWaalsContact O-CB 3.32Å; A731-H735 WeakPolarHBondContact O-CB 3.28Å; A731-H735 PolarHBondContact O-CD2 3.18Å; A731-H735 VanDerWaalsContact O-CD2 3.29Å; A731-H735 PolarHBondContact O-N 3.47Å; A731-L773 HydrophobicContact CB-CD2 4.02Å; A731-D776 WeakPolarHBondContact CA-OD2 3.43Å; A731-D776 HydrophobicContact CB-CB 4.45Å; A731-D776 PolarHBondContact N-OD2 3.18Å
732T91.8Very high91.6Very high0 Ų042.9 Ų42.90%025%0.246CC..Hα-helixtrans-61.2-43.8-168.9-52.60000112.1N713 L723 A724 Y727 G728 S730 H736N713-T732 WeakPolarHBondContact OD1-CB 3.39Å; N713-T732 PolarHBondContact OD1-N 2.84Å; L723-T732 HydrophobicContact CB-CG2 4.12Å; L723-T732 WeakPolarHBondContact O-CG2 3.45Å; A724-T732 HydrophobicContact CB-CG2 4.38Å; Y727-T732 WeakPolarHBondContact CD2-O 3.33Å; G728-T732 WeakPolarHBondContact O-CG2 3.3Å; G728-T732 PolarHBondContact O-OG1 2.94Å; S730-T732 PolarHBondContact O-N 3.33Å; S730-T732 VanDerWaalsContact O-N 3.13Å; T732-H736 PolarHBondContact O-N 2.85Å
733L95.9Very high91.6Very high4 Ų442.9 Ų42.92%0.02123%0.233CC..Hα-helixtrans-77.1-41.6-179.3-71.5167.9000111.1T711 N713 Q716 L723 A731 H735 H736 H737T711-L733 WeakPolarHBondContact O-CD1 3.28Å; N713-L733 VanDerWaalsContact OD1-CB 3.31Å; N713-L733 WeakPolarHBondContact OD1-CB 3.42Å; N713-L733 WeakPolarHBondContact OD1-CD1 3.35Å; N713-L733 WeakPolarHBondContact OD1-CG 3.33Å; N713-L733 PolarHBondContact OD1-N 2.95Å; Q716-L733 HydrophobicContact CG-CD1 4.31Å; Q716-L733 HydrophobicContact CG-CD2 4.1Å; Q716-L733 HydrophobicContact CG-CG 4.22Å; L723-L733 HydrophobicContact CD1-CD2 4.19Å; A731-L733 PolarHBondContact O-N 3.14Å; L733-H735 VanDerWaalsContact C-N 3.28Å; L733-H735 PolarHBondContact O-N 2.75Å; L733-H736 CarbonylContact O-C 3.51Å; L733-H736 VanDerWaalsContact O-CA 3.31Å; L733-H736 WeakPolarHBondContact O-CA 3.38Å; L733-H736 WeakPolarHBondContact O-CB 3.17Å; L733-H736 PolarHBondContact O-N 3.26Å; L733-H737 PolarHBondContact O-CD2 3.16Å; L733-H737 PolarHBondContact O-N 3.44Å; L733-H737 PolarHBondContact O-ND1 2.69Å; L733-H737 PolarHBondContact O-NE2 3.24Å
734E97.1Very high91.8Very high22 Ų2241.9 Ų41.910%0.10323%0.228CC..Hα-helixtrans-65.3-34.6179.7-56.978.9-17900110.9N713 A731 F738 I772 L773 D776N713-E734 PolarHBondContact ND2-OE1 3.27Å; N713-E734 VanDerWaalsContact ND2-OE1 3.09Å; N713-E734 PolarHBondContact ND2-OE2 3.21Å; A731-E734 WeakPolarHBondContact CA-OE2 3.36Å; A731-E734 HydrophobicContact CB-CB 4.33Å; A731-E734 PolarHBondContact O-N 3.34Å; E734-F738 WeakPolarHBondContact O-CB 3.11Å; E734-F738 PolarHBondContact O-N 2.96Å; E734-I772 WeakPolarHBondContact O-CG2 3.04Å; E734-L773 HydrophobicContact CB-CD2 3.81Å; E734-D776 HydrophobicContact CG-CB 4.03Å
735H95.4Very high92Very high49 Ų4941.3 Ų41.323%0.22722%0.223CC..Hα-helixtrans-64.5-39.3166.8-89.5-58.6000113.3Y727 A731 L733 N739Y727-H735 HydrophobicContact CD1-CB 4.15Å; Y727-H735 HydrophobicContact CD2-CB 4.29Å; Y727-H735 HydrophobicContact CG-CB 3.94Å; A731-H735 VanDerWaalsContact O-CB 3.32Å; A731-H735 WeakPolarHBondContact O-CB 3.28Å; A731-H735 PolarHBondContact O-CD2 3.18Å; A731-H735 VanDerWaalsContact O-CD2 3.29Å; A731-H735 PolarHBondContact O-N 3.47Å; L733-H735 VanDerWaalsContact C-N 3.28Å; L733-H735 PolarHBondContact O-N 2.75Å; H735-N739 VanDerWaalsContact O-CG 3.31Å; H735-N739 PolarHBondContact O-N 2.85Å; H735-N739 VanDerWaalsContact O-N 3.12Å; H735-N739 PolarHBondContact O-ND2 3.08Å
736H96.3Very high92Very high20 Ų2040.4 Ų40.49%0.09322%0.219CC..Hα-helixtrans-64.2-49.6174.3-179.161000111.4D707 L723 Y727 T732 L733 F738 N739 H740D707-H736 IonicContact OD2-CD2 2.63Å; D707-H736 IonicContact OD2-CE1 2.78Å; D707-H736 IonicContact OD2-NE2 2.77Å; D707-H736 PolarHBondContact OD2-NE2 3.25Å; L723-H736 HydrophobicContact CD2-CB 4.42Å; L723-H736 WeakPolarHBondContact CD2-ND1 3.45Å; Y727-H736 HydrophobicContact CD2-CB 4.2Å; Y727-H736 HydrophobicContact CE2-CB 3.65Å; Y727-H736 AromaticContact CE2-ND1 4Å; T732-H736 PolarHBondContact O-N 2.85Å; L733-H736 CarbonylContact O-C 3.51Å; L733-H736 VanDerWaalsContact O-CA 3.31Å; L733-H736 WeakPolarHBondContact O-CA 3.38Å; L733-H736 WeakPolarHBondContact O-CB 3.17Å; L733-H736 PolarHBondContact O-N 3.26Å; H736-F738 PolarHBondContact O-N 3.22Å; H736-N739 PolarHBondContact O-N 3.29Å; H736-N739 VanDerWaalsContact O-N 3.11Å; H736-H740 WeakPolarHBondContact O-CB 3.43Å; H736-H740 PolarHBondContact O-N 3.38Å
737H97.6Very high92.1Very high1 Ų136.4 Ų36.41%0.00520%0.201CC..Hα-helixtrans-57.2-45.8178.8-56-35.5000111.8H704 L706 H708 L733 H740 A741 I772H704-H737 WeakPolarHBondContact O-CB 3.41Å; H704-H737 PolarHBondContact O-CD2 3.16Å; L706-H737 PolarHBondContact O-CE1 3.2Å; L706-H737 PolarHBondContact O-ND1 2.98Å; H708-H737 AromaticContact CD2-NE2 3.76Å; L733-H737 PolarHBondContact O-CD2 3.16Å; L733-H737 PolarHBondContact O-N 3.44Å; L733-H737 PolarHBondContact O-ND1 2.69Å; L733-H737 PolarHBondContact O-NE2 3.24Å; H737-H740 PolarHBondContact O-N 2.74Å; H737-A741 WeakPolarHBondContact O-CB 3.48Å; H737-A741 PolarHBondContact O-N 2.56Å; H737-I772 HydrophobicContact CB-CG2 4.08Å
738F97.6Very high92.1Very high20 Ų2042 Ų429%0.08823%0.229CC..Hα-helixtrans-60.6-46.6173.4171.7-101.3000112.6E734 H736 H740 A741 V742 M765 L768 K769 I772E734-F738 WeakPolarHBondContact O-CB 3.11Å; E734-F738 PolarHBondContact O-N 2.96Å; H736-F738 PolarHBondContact O-N 3.22Å; F738-H740 VanDerWaalsContact C-N 3.31Å; F738-H740 PolarHBondContact O-N 3.47Å; F738-A741 WeakPolarHBondContact O-CB 3.4Å; F738-A741 PolarHBondContact O-N 3.11Å; F738-V742 HydrophobicContact CD1-CG2 4.24Å; F738-V742 HydrophobicContact CD2-CG2 4.4Å; F738-V742 HydrophobicContact CE1-CG2 3.73Å; F738-V742 HydrophobicContact CE2-CG2 3.9Å; F738-V742 HydrophobicContact CZ-CG2 3.55Å; F738-V742 VanDerWaalsContact O-CG2 3.28Å; F738-V742 WeakPolarHBondContact O-CG2 3.28Å; F738-V742 PolarHBondContact O-N 2.39Å; F738-M765 HydrophobicContact CE2-CE 3.94Å; F738-M765 HydrophobicContact CZ-CE 3.99Å; F738-L768 HydrophobicContact CD2-CG 4.43Å; F738-L768 HydrophobicContact CE2-CG 4.33Å; F738-K769 HydrophobicContact CD1-CD 4.24Å; F738-K769 HydrophobicContact CD1-CG 4.07Å; F738-K769 HydrophobicContact CD2-CB 3.75Å; F738-K769 HydrophobicContact CD2-CG 4.05Å; F738-K769 HydrophobicContact CE1-CB 4.28Å; F738-K769 HydrophobicContact CE1-CD 3.94Å; F738-K769 HydrophobicContact CE1-CG 4.08Å; F738-K769 HydrophobicContact CE2-CB 3.46Å; F738-K769 VanDerWaalsContact CE2-CB 3.46Å; F738-K769 HydrophobicContact CE2-CG 4.06Å; F738-K769 HydrophobicContact CG-CB 4.28Å; F738-K769 HydrophobicContact CG-CG 4.05Å; F738-K769 HydrophobicContact CZ-CB 3.75Å; F738-K769 HydrophobicContact CZ-CD 4.14Å; F738-K769 HydrophobicContact CZ-CG 4.08Å; F738-I772 HydrophobicContact CB-CB 4.46Å; F738-I772 HydrophobicContact CB-CD1 4.3Å; F738-I772 HydrophobicContact CB-CG2 4.17Å; F738-I772 HydrophobicContact CD2-CD1 4.35Å
739N95.1Very high92.2Very high60 Ų6042 Ų4232%0.32123%0.229SC..Hα-helixtrans-68.6-31.3-179.7-70.8-35.9000112.4Y727 H735 H736 V742 M743Y727-N739 WeakPolarHBondContact CE1-ND2 3.24Å; Y727-N739 VanDerWaalsContact CZ-ND2 3.31Å; Y727-N739 PolarHBondContact OH-ND2 3.41Å; Y727-N739 VanDerWaalsContact OH-ND2 3.08Å; H735-N739 VanDerWaalsContact O-CG 3.31Å; H735-N739 PolarHBondContact O-N 2.85Å; H735-N739 VanDerWaalsContact O-N 3.12Å; H735-N739 PolarHBondContact O-ND2 3.08Å; H736-N739 PolarHBondContact O-N 3.29Å; H736-N739 VanDerWaalsContact O-N 3.11Å; N739-V742 WeakPolarHBondContact O-CB 3.22Å; N739-V742 PolarHBondContact O-N 3.14Å; N739-M743 PolarHBondContact O-N 2.81Å
740H94.5Very high93Very high26 Ų2637.3 Ų37.312%0.1220%0.199CC..Hα-helixtrans-68.2-40.2173.3-152.279.8000111.4N657 L706 H736 H737 F738 M743 I744N657-H740 PolarHBondContact OD1-NE2 3.43Å; L706-H740 HydrophobicContact CB-CB 4.24Å; H736-H740 WeakPolarHBondContact O-CB 3.43Å; H736-H740 PolarHBondContact O-N 3.38Å; H737-H740 PolarHBondContact O-N 2.74Å; F738-H740 VanDerWaalsContact C-N 3.31Å; F738-H740 PolarHBondContact O-N 3.47Å; H740-M743 VanDerWaalsContact CE1-CE 3.45Å; H740-M743 WeakPolarHBondContact CE1-CE 3.42Å; H740-M743 WeakPolarHBondContact O-CB 3.08Å; H740-M743 PolarHBondContact O-N 3.2Å; H740-I744 WeakPolarHBondContact O-CG1 3.42Å; H740-I744 PolarHBondContact O-N 2.68Å; H740-I744 VanDerWaalsContact O-N 3.1Å
741A96.5Very high93.6Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-61.2-42.717100000112C703 L706 H737 F738 I744 L745 I772C703-A741 HydrophobicContact CB-CB 3.81Å; L706-A741 HydrophobicContact CD1-CB 3.92Å; H737-A741 WeakPolarHBondContact O-CB 3.48Å; H737-A741 PolarHBondContact O-N 2.56Å; F738-A741 WeakPolarHBondContact O-CB 3.4Å; F738-A741 PolarHBondContact O-N 3.11Å; A741-I744 PolarHBondContact O-N 2.87Å; A741-L745 WeakPolarHBondContact O-CB 3.4Å; A741-L745 WeakPolarHBondContact O-CG 3.49Å; A741-L745 PolarHBondContact O-N 3.13Å; A741-I772 HydrophobicContact CB-CD1 4.4Å
742V94.8Very high94.1Very high22 Ų2235.6 Ų35.613%0.13318%0.183CC..Hα-helixtrans-60.4-44174.6172.30000111.4F738 N739 I744 L745 Q746 M765F738-V742 HydrophobicContact CD1-CG2 4.24Å; F738-V742 HydrophobicContact CD2-CG2 4.4Å; F738-V742 HydrophobicContact CE1-CG2 3.73Å; F738-V742 HydrophobicContact CE2-CG2 3.9Å; F738-V742 HydrophobicContact CZ-CG2 3.55Å; F738-V742 VanDerWaalsContact O-CG2 3.28Å; F738-V742 WeakPolarHBondContact O-CG2 3.28Å; F738-V742 PolarHBondContact O-N 2.39Å; N739-V742 WeakPolarHBondContact O-CB 3.22Å; N739-V742 PolarHBondContact O-N 3.14Å; V742-I744 PolarHBondContact O-N 3.36Å; V742-L745 PolarHBondContact O-N 3.16Å; V742-Q746 HydrophobicContact CG1-CG 4.2Å; V742-Q746 WeakPolarHBondContact O-CB 3.31Å; V742-Q746 VanDerWaalsContact O-CG 3.3Å; V742-Q746 WeakPolarHBondContact O-CG 3.38Å; V742-Q746 PolarHBondContact O-N 2.93Å; V742-M765 HydrophobicContact CG2-CE 3.59Å
743M91.8Very high94.3Very high78 Ų7835.8 Ų35.838%0.38418%0.184SC..Hα-helixtrans-58.8-45.6176.9-178.6-164.470.700111.6N739 H740 Q746 S747N739-M743 PolarHBondContact O-N 2.81Å; H740-M743 VanDerWaalsContact CE1-CE 3.45Å; H740-M743 WeakPolarHBondContact CE1-CE 3.42Å; H740-M743 WeakPolarHBondContact O-CB 3.08Å; H740-M743 PolarHBondContact O-N 3.2Å; M743-Q746 PolarHBondContact O-N 2.82Å; M743-S747 PolarHBondContact O-N 3.27Å; M743-S747 PolarHBondContact O-OG 3.43Å
744I94.1Very high94.2Very high2 Ų238.8 Ų38.81%0.0121%0.21CC..Hα-helixtrans-63.1-47.7176-63.3170.7000110.1T653 V654 N657 L706 H740 A741 V742 Q746 S747 H750T653-I744 HydrophobicContact CG2-CD1 4.32Å; T653-I744 HydrophobicContact CG2-CG1 4.19Å; T653-I744 HydrophobicContact CG2-CG2 3.76Å; V654-I744 HydrophobicContact CG2-CD1 4.21Å; V654-I744 HydrophobicContact CG2-CG2 4.36Å; N657-I744 HydrophobicContact CB-CD1 4.06Å; L706-I744 HydrophobicContact CD1-CD1 4.11Å; L706-I744 HydrophobicContact CD2-CD1 4.28Å; H740-I744 WeakPolarHBondContact O-CG1 3.42Å; H740-I744 PolarHBondContact O-N 2.68Å; H740-I744 VanDerWaalsContact O-N 3.1Å; A741-I744 PolarHBondContact O-N 2.87Å; V742-I744 PolarHBondContact O-N 3.36Å; I744-Q746 VanDerWaalsContact C-N 3.27Å; I744-Q746 PolarHBondContact O-N 2.98Å; I744-S747 VanDerWaalsContact O-CB 3.29Å; I744-S747 WeakPolarHBondContact O-CB 3.44Å; I744-S747 PolarHBondContact O-N 2.87Å; I744-S747 VanDerWaalsContact O-N 3.08Å; I744-H750 HydrophobicContact CG2-CB 4.5Å; I744-H750 WeakPolarHBondContact O-CB 3.2Å
745L94.1Very high94.1Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-64.1-26.5179.2-73.8164.7000114.1A741 V742 N751 I752 F753 M765 L768A741-L745 WeakPolarHBondContact O-CB 3.4Å; A741-L745 WeakPolarHBondContact O-CG 3.49Å; A741-L745 PolarHBondContact O-N 3.13Å; V742-L745 PolarHBondContact O-N 3.16Å; L745-N751 WeakPolarHBondContact O-CA 3.46Å; L745-N751 WeakPolarHBondContact O-CB 3.49Å; L745-I752 HydrophobicContact CD2-CD1 4.43Å; L745-I752 HydrophobicContact CD2-CG1 3.69Å; L745-F753 HydrophobicContact CD1-CD2 4.19Å; L745-F753 HydrophobicContact CD1-CE2 3.6Å; L745-F753 HydrophobicContact CD2-CD2 3.96Å; L745-F753 HydrophobicContact CD2-CE2 3.76Å; L745-F753 HydrophobicContact CD2-CZ 4.37Å; L745-F753 HydrophobicContact CG-CE2 4.33Å; L745-M765 HydrophobicContact CD1-SD 4.43Å; L745-L768 HydrophobicContact CD1-CD2 3.98Å
746Q89.6Confident94Very high139 Ų13942 Ų4265%0.6523%0.229SC*.Hα-helixtrans-85.3-9.7175.7-72.5178.9-2.500113.3V742 M743 I744V742-Q746 HydrophobicContact CG1-CG 4.2Å; V742-Q746 WeakPolarHBondContact O-CB 3.31Å; V742-Q746 VanDerWaalsContact O-CG 3.3Å; V742-Q746 WeakPolarHBondContact O-CG 3.38Å; V742-Q746 PolarHBondContact O-N 2.93Å; M743-Q746 PolarHBondContact O-N 2.82Å; I744-Q746 VanDerWaalsContact C-N 3.27Å; I744-Q746 PolarHBondContact O-N 2.98Å
747S89.3Confident94Very high32 Ų3243.7 Ų43.722%0.22424%0.243CC..SBendtrans-73.2147.6178.1-61.50000111.7M743 I744 G749 H750M743-S747 PolarHBondContact O-N 3.27Å; M743-S747 PolarHBondContact O-OG 3.43Å; I744-S747 VanDerWaalsContact O-CB 3.29Å; I744-S747 WeakPolarHBondContact O-CB 3.44Å; I744-S747 PolarHBondContact O-N 2.87Å; I744-S747 VanDerWaalsContact O-N 3.08Å; S747-G749 PolarHBondContact O-N 3.01Å; S747-H750 WeakPolarHBondContact O-CB 3.36Å; S747-H750 PolarHBondContact O-N 3.09Å
748E86.3Confident93.7Very high182 Ų18249 Ų4985%0.8528%0.28SS*.THydrogen-bonded Turntrans-60.4125.3-172.2-168.6179.2163.700112.2R649 H750R649-E748 PolarHBondContact NH1-O 2.92Å; E748-H750 VanDerWaalsContact C-N 3.25Å; E748-H750 PolarHBondContact O-N 3.39Å; E748-H750 PolarHBondContact O-ND1 3.08Å
749G90.8Very high93.6Very high29 Ų2955.3 Ų55.330%0.29931%0.307SS..THydrogen-bonded Turntrans64.421.8-177.900000115.5R649 S747R649-G749 WeakPolarHBondContact CD-O 3.31Å; S747-G749 PolarHBondContact O-N 3.01Å
750H94.6Very high93.5Very high12 Ų1256.3 Ų56.36%0.05631%0.31CS..  trans-110.4-6.1171-6376000112.6W650 T653 I744 S747 E748 I752W650-H750 VanDerWaalsContact CD1-O 3.3Å; T653-H750 PolarHBondContact OG1-CD2 3.19Å; T653-H750 PolarHBondContact OG1-NE2 3.39Å; I744-H750 HydrophobicContact CG2-CB 4.5Å; I744-H750 WeakPolarHBondContact O-CB 3.2Å; S747-H750 WeakPolarHBondContact O-CB 3.36Å; S747-H750 PolarHBondContact O-N 3.09Å; E748-H750 VanDerWaalsContact C-N 3.25Å; E748-H750 PolarHBondContact O-N 3.39Å; E748-H750 PolarHBondContact O-ND1 3.08Å; H750-I752 PolarHBondContact O-N 3.14Å
751N95.6Very high93.6Very high44 Ų4458.2 Ų58.224%0.23532%0.317CS..  trans-78.187-176.5-169.5-3.5000112L745 F753 A754L745-N751 WeakPolarHBondContact O-CA 3.46Å; L745-N751 WeakPolarHBondContact O-CB 3.49Å; N751-F753 PolarHBondContact O-N 3.28Å; N751-F753 WeakPolarHBondContact OD1-CA 3.41Å; N751-F753 WeakPolarHBondContact OD1-CB 3.38Å; N751-F753 PolarHBondContact OD1-N 3.06Å; N751-A754 HydrophobicContact CB-CB 4.28Å; N751-A754 WeakPolarHBondContact O-CB 3.21Å; N751-A754 PolarHBondContact O-N 3.28Å; N751-A754 VanDerWaalsContact O-N 3.11Å; N751-A754 PolarHBondContact OD1-N 2.86Å
752I97.4Very high93.5Very high6 Ų661.6 Ų61.63%0.03134%0.341CS..THydrogen-bonded Turntrans-61.7-8173.455162.2000114.1I642 T646 L647 W650 V699 L745 H750I642-I752 HydrophobicContact CG2-CB 3.79Å; I642-I752 HydrophobicContact CG2-CG2 3.82Å; T646-I752 HydrophobicContact CG2-CG2 4.11Å; L647-I752 HydrophobicContact CB-CG2 4.39Å; L647-I752 HydrophobicContact CD1-CG2 4.09Å; W650-I752 HydrophobicContact CB-CG2 3.77Å; W650-I752 HydrophobicContact CD2-CD1 3.87Å; W650-I752 HydrophobicContact CD2-CG1 4.27Å; W650-I752 HydrophobicContact CD2-CG2 4.19Å; W650-I752 HydrophobicContact CE3-CD1 3.98Å; W650-I752 HydrophobicContact CE3-CG2 4.39Å; W650-I752 HydrophobicContact CG-CD1 4.46Å; W650-I752 HydrophobicContact CG-CG1 4.36Å; W650-I752 HydrophobicContact CG-CG2 3.91Å; W650-I752 HydrophobicContact CH2-CD1 4.27Å; W650-I752 HydrophobicContact CZ2-CD1 4.16Å; W650-I752 HydrophobicContact CZ3-CD1 4.16Å; V699-I752 HydrophobicContact CG2-CD1 3.72Å; L745-I752 HydrophobicContact CD2-CD1 4.43Å; L745-I752 HydrophobicContact CD2-CG1 3.69Å; H750-I752 PolarHBondContact O-N 3.14Å
753F96.5Very high93.5Very high3 Ų363.7 Ų63.71%0.01335%0.351CS..THydrogen-bonded Turntrans-105.18.8177.8-50-39.9000113.6L695 V699 L745 N751 N755 L756 Y761 L764 M765 L768L695-F753 HydrophobicContact CD1-CE1 4.3Å; L695-F753 HydrophobicContact CD2-CD1 4.07Å; L695-F753 HydrophobicContact CD2-CE1 3.83Å; L695-F753 HydrophobicContact CG-CE1 3.94Å; V699-F753 HydrophobicContact CB-CZ 4.3Å; V699-F753 HydrophobicContact CG1-CZ 3.99Å; V699-F753 HydrophobicContact CG2-CE1 4.18Å; V699-F753 HydrophobicContact CG2-CZ 3.94Å; L745-F753 HydrophobicContact CD1-CD2 4.19Å; L745-F753 HydrophobicContact CD1-CE2 3.6Å; L745-F753 HydrophobicContact CD2-CD2 3.96Å; L745-F753 HydrophobicContact CD2-CE2 3.76Å; L745-F753 HydrophobicContact CD2-CZ 4.37Å; L745-F753 HydrophobicContact CG-CE2 4.33Å; N751-F753 PolarHBondContact O-N 3.28Å; N751-F753 WeakPolarHBondContact OD1-CA 3.41Å; N751-F753 WeakPolarHBondContact OD1-CB 3.38Å; N751-F753 PolarHBondContact OD1-N 3.06Å; F753-N755 PolarHBondContact O-N 2.98Å; F753-N755 VanDerWaalsContact O-N 3.08Å; F753-L756 HydrophobicContact CB-CD1 3.82Å; F753-L756 HydrophobicContact CB-CG 4.22Å; F753-L756 HydrophobicContact CD1-CD1 4.38Å; F753-L756 HydrophobicContact CG-CD1 4.3Å; F753-L756 WeakPolarHBondContact O-CB 3.26Å; F753-L756 WeakPolarHBondContact O-CG 3.48Å; F753-L756 PolarHBondContact O-N 3.11Å; F753-L756 VanDerWaalsContact O-N 3.11Å; F753-Y761 HydrophobicContact CB-CD2 3.77Å; F753-Y761 HydrophobicContact CB-CE2 3.86Å; F753-Y761 HydrophobicContact CD2-CE2 4.26Å; F753-L764 HydrophobicContact CD1-CD1 3.97Å; F753-L764 HydrophobicContact CD1-CD2 4.2Å; F753-L764 HydrophobicContact CD2-CD2 3.79Å; F753-L764 HydrophobicContact CE1-CD1 3.84Å; F753-L764 HydrophobicContact CE1-CD2 3.82Å; F753-L764 HydrophobicContact CE2-CD2 3.35Å; F753-L764 HydrophobicContact CG-CD1 4.5Å; F753-L764 HydrophobicContact CG-CD2 4.2Å; F753-L764 HydrophobicContact CZ-CD1 4.24Å; F753-L764 HydrophobicContact CZ-CD2 3.37Å; F753-L764 HydrophobicContact CZ-CG 4.48Å; F753-M765 HydrophobicContact CD2-SD 4.17Å; F753-M765 HydrophobicContact CE2-SD 4.13Å; F753-L768 HydrophobicContact CE2-CD2 4.35Å
754A93.2Very high93.7Very high68 Ų6860 Ų6056%0.56233%0.333SS*.THydrogen-bonded Turntrans-58-26.1-173.100000114.9N751N751-A754 HydrophobicContact CB-CB 4.28Å; N751-A754 WeakPolarHBondContact O-CB 3.21Å; N751-A754 PolarHBondContact O-N 3.28Å; N751-A754 VanDerWaalsContact O-N 3.11Å; N751-A754 PolarHBondContact OD1-N 2.86Å
755N94.5Very high93.9Very high111 Ų11161 Ų6159%0.59434%0.338SS*.THydrogen-bonded Turntrans-932.9-177.9-71.9-37.2000114.5K641 F753K641-N755 HydrophobicContact CB-CB 4.45Å; K641-N755 PolarHBondContact O-ND2 2.79Å; F753-N755 PolarHBondContact O-N 2.98Å; F753-N755 VanDerWaalsContact O-N 3.08Å
756L94.3Very high94Very high28 Ų2865.7 Ų65.715%0.14736%0.36CS..SBendtrans-76.6151.8175.2-60.2-173.9000112F640 F753 E760 L764F640-L756 HydrophobicContact CB-CD2 4.46Å; F640-L756 HydrophobicContact CD1-CD2 3.48Å; F640-L756 VanDerWaalsContact CD1-CD2 3.48Å; F640-L756 HydrophobicContact CE1-CD2 4.11Å; F640-L756 HydrophobicContact CG-CD2 4.34Å; F753-L756 HydrophobicContact CB-CD1 3.82Å; F753-L756 HydrophobicContact CB-CG 4.22Å; F753-L756 HydrophobicContact CD1-CD1 4.38Å; F753-L756 HydrophobicContact CG-CD1 4.3Å; F753-L756 WeakPolarHBondContact O-CB 3.26Å; F753-L756 WeakPolarHBondContact O-CG 3.48Å; F753-L756 PolarHBondContact O-N 3.11Å; F753-L756 VanDerWaalsContact O-N 3.11Å; L756-E760 HydrophobicContact CB-CB 4.13Å; L756-E760 HydrophobicContact CD1-CB 4.5Å; L756-L764 HydrophobicContact CD1-CB 4.4Å; L756-L764 HydrophobicContact CD1-CD1 3.84Å
757S95Very high94.4Very high55 Ų5559.8 Ų59.839%0.38533%0.332SS..  trans-66.5157.8166.572.50000111.2K759 E760 Y761S757-K759 PolarHBondContact O-N 2.98Å; S757-E760 WeakPolarHBondContact CB-OE2 3.37Å; S757-E760 PolarHBondContact N-OE2 2.99Å; S757-E760 PolarHBondContact O-N 2.96Å; S757-E760 VanDerWaalsContact O-N 3.14Å; S757-E760 VanDerWaalsContact OG-CD 3.29Å; S757-E760 WeakPolarHBondContact OG-CG 3.3Å; S757-E760 PolarHBondContact OG-N 3.1Å; S757-E760 PolarHBondContact OG-OE2 3.46Å; S757-Y761 WeakPolarHBondContact O-CB 3.4Å; S757-Y761 PolarHBondContact O-N 3.29Å
758S93.2Very high94.8Very high111 Ų11158.2 Ų58.278%0.77632%0.322SS*.Hα-helixtrans-57.3-22.5177.7-179.90000114S762S758-S762 PolarHBondContact O-N 3.2Å
759K94.3Very high95.3Very high153 Ų15353.4 Ų53.467%0.66530%0.298SS*.Hα-helixtrans-80.1-52.6175-174.6-173.4171.9-167.50110.6S757 Y761 S762 D763S757-K759 PolarHBondContact O-N 2.98Å; K759-Y761 VanDerWaalsContact C-N 3.28Å; K759-Y761 PolarHBondContact O-N 3.08Å; K759-S762 WeakPolarHBondContact O-CB 3.33Å; K759-S762 PolarHBondContact O-N 2.9Å; K759-D763 WeakPolarHBondContact CE-OD2 3.33Å; K759-D763 PolarHBondContact O-N 3.3Å
760E93.9Very high95.6Very high82 Ų8254 Ų5438%0.38329%0.293SS..Hα-helixtrans-59.1-39.8179.2-68.6157.9137.100111.7L756 S757 D763 L764L756-E760 HydrophobicContact CB-CB 4.13Å; L756-E760 HydrophobicContact CD1-CB 4.5Å; S757-E760 WeakPolarHBondContact CB-OE2 3.37Å; S757-E760 PolarHBondContact N-OE2 2.99Å; S757-E760 PolarHBondContact O-N 2.96Å; S757-E760 VanDerWaalsContact O-N 3.14Å; S757-E760 VanDerWaalsContact OG-CD 3.29Å; S757-E760 WeakPolarHBondContact OG-CG 3.3Å; S757-E760 PolarHBondContact OG-N 3.1Å; S757-E760 PolarHBondContact OG-OE2 3.46Å; E760-D763 PolarHBondContact O-N 3.31Å; E760-L764 WeakPolarHBondContact O-CB 3.45Å; E760-L764 PolarHBondContact O-N 3.1Å
761Y95.1Very high95.7Very high65 Ų6553.5 Ų53.526%0.25529%0.291SS..Hα-helixtrans-60.6-45173-174.8-87000111.7F753 S757 K759 M765F753-Y761 HydrophobicContact CB-CD2 3.77Å; F753-Y761 HydrophobicContact CB-CE2 3.86Å; F753-Y761 HydrophobicContact CD2-CE2 4.26Å; S757-Y761 WeakPolarHBondContact O-CB 3.4Å; S757-Y761 PolarHBondContact O-N 3.29Å; K759-Y761 VanDerWaalsContact C-N 3.28Å; K759-Y761 PolarHBondContact O-N 3.08Å; Y761-M765 HydrophobicContact CD1-CG 3.94Å; Y761-M765 HydrophobicContact CE1-CG 3.58Å; Y761-M765 HydrophobicContact CE1-SD 4.49Å; Y761-M765 HydrophobicContact CE2-CG 4.39Å; Y761-M765 HydrophobicContact CG-CG 4.49Å; Y761-M765 WeakPolarHBondContact O-CB 3.41Å; Y761-M765 WeakPolarHBondContact O-CG 3.3Å; Y761-M765 PolarHBondContact O-N 3.28Å
762S95.1Very high95.8Very high72 Ų7251.4 Ų51.450%0.50328%0.28SS..Hα-helixtrans-65-43.7178-172.30000112.3S758 K759 Q766S758-S762 PolarHBondContact O-N 3.2Å; K759-S762 WeakPolarHBondContact O-CB 3.33Å; K759-S762 PolarHBondContact O-N 2.9Å; S762-Q766 PolarHBondContact O-N 3.04Å; S762-Q766 VanDerWaalsContact O-N 3.13Å
763D94.9Very high95.8Very high65 Ų6552.5 Ų52.535%0.34829%0.285SS..Hα-helixtrans-65.8-44.1178.7-70.2-25.2000110.3K759 E760 Q766 L767K759-D763 WeakPolarHBondContact CE-OD2 3.33Å; K759-D763 PolarHBondContact O-N 3.3Å; E760-D763 PolarHBondContact O-N 3.31Å; D763-Q766 PolarHBondContact O-N 3.48Å; D763-L767 VanDerWaalsContact O-CG 3.3Å; D763-L767 WeakPolarHBondContact O-CG 3.18Å; D763-L767 PolarHBondContact O-N 2.86Å
764L96.6Very high95.7Very high0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-62.8-46.3175.8-172.2153.5000111.9V692 L695 A696 F753 L756 E760 Q766 L767 L768V692-L764 HydrophobicContact CG1-CB 3.89Å; V692-L764 HydrophobicContact CG1-CD1 4.23Å; V692-L764 HydrophobicContact CG1-CG 4.29Å; L695-L764 HydrophobicContact CB-CD1 4.36Å; L695-L764 HydrophobicContact CD2-CD1 3.62Å; L695-L764 HydrophobicContact CG-CD1 3.95Å; A696-L764 HydrophobicContact CB-CG 4.25Å; F753-L764 HydrophobicContact CD1-CD1 3.97Å; F753-L764 HydrophobicContact CD1-CD2 4.2Å; F753-L764 HydrophobicContact CD2-CD2 3.79Å; F753-L764 HydrophobicContact CE1-CD1 3.84Å; F753-L764 HydrophobicContact CE1-CD2 3.82Å; F753-L764 HydrophobicContact CE2-CD2 3.35Å; F753-L764 HydrophobicContact CG-CD1 4.5Å; F753-L764 HydrophobicContact CG-CD2 4.2Å; F753-L764 HydrophobicContact CZ-CD1 4.24Å; F753-L764 HydrophobicContact CZ-CD2 3.37Å; F753-L764 HydrophobicContact CZ-CG 4.48Å; L756-L764 HydrophobicContact CD1-CB 4.4Å; L756-L764 HydrophobicContact CD1-CD1 3.84Å; E760-L764 WeakPolarHBondContact O-CB 3.45Å; E760-L764 PolarHBondContact O-N 3.1Å; L764-Q766 PolarHBondContact O-N 3.02Å; L764-L767 CarbonylContact O-C 3.6Å; L764-L767 WeakPolarHBondContact O-CB 3.32Å; L764-L767 PolarHBondContact O-N 3.49Å; L764-L767 VanDerWaalsContact O-N 3.07Å; L764-L768 HydrophobicContact CD2-CB 4.48Å; L764-L768 WeakPolarHBondContact O-CB 3.25Å; L764-L768 PolarHBondContact O-N 3.41Å
765M97.2Very high95.9Very high24 Ų2449.9 Ų49.912%0.11826%0.263CS..Hα-helixtrans-63.4-31.4179-71.2-52.7-57.700112.2F738 V742 L745 F753 Y761 L768 K769F738-M765 HydrophobicContact CE2-CE 3.94Å; F738-M765 HydrophobicContact CZ-CE 3.99Å; V742-M765 HydrophobicContact CG2-CE 3.59Å; L745-M765 HydrophobicContact CD1-SD 4.43Å; F753-M765 HydrophobicContact CD2-SD 4.17Å; F753-M765 HydrophobicContact CE2-SD 4.13Å; Y761-M765 HydrophobicContact CD1-CG 3.94Å; Y761-M765 HydrophobicContact CE1-CG 3.58Å; Y761-M765 HydrophobicContact CE1-SD 4.49Å; Y761-M765 HydrophobicContact CE2-CG 4.39Å; Y761-M765 HydrophobicContact CG-CG 4.49Å; Y761-M765 WeakPolarHBondContact O-CB 3.41Å; Y761-M765 WeakPolarHBondContact O-CG 3.3Å; Y761-M765 PolarHBondContact O-N 3.28Å; M765-L768 HydrophobicContact CE-CD2 4.11Å; M765-L768 HydrophobicContact SD-CD2 4.21Å; M765-K769 WeakPolarHBondContact O-CB 3.3Å; M765-K769 PolarHBondContact O-N 3.07Å; M765-K769 VanDerWaalsContact O-N 3.1Å
766Q96.9Very high96Very high98 Ų9845.1 Ų45.146%0.45824%0.237SC..Hα-helixtrans-68.4-44.1170.5-178.6174.1-3.300111.8S762 D763 L764 K769 Q770S762-Q766 PolarHBondContact O-N 3.04Å; S762-Q766 VanDerWaalsContact O-N 3.13Å; D763-Q766 PolarHBondContact O-N 3.48Å; L764-Q766 PolarHBondContact O-N 3.02Å; Q766-K769 PolarHBondContact O-N 2.98Å; Q766-Q770 WeakPolarHBondContact O-CB 3.17Å; Q766-Q770 VanDerWaalsContact O-CG 3.31Å; Q766-Q770 WeakPolarHBondContact O-CG 3.18Å; Q766-Q770 PolarHBondContact O-N 3.31Å
767L97.4Very high95.9Very high15 Ų1546.2 Ų46.28%0.07924%0.243CC..Hα-helixtrans-63-44.4177.2-69.3166.6000111.6V692 E693 A696 D763 L764 K769 Q770 S771 R808V692-L767 HydrophobicContact CG1-CD1 3.93Å; E693-L767 HydrophobicContact CG-CD1 3.99Å; E693-L767 HydrophobicContact CG-CD2 4.11Å; A696-L767 HydrophobicContact CB-CB 3.51Å; D763-L767 VanDerWaalsContact O-CG 3.3Å; D763-L767 WeakPolarHBondContact O-CG 3.18Å; D763-L767 PolarHBondContact O-N 2.86Å; L764-L767 CarbonylContact O-C 3.6Å; L764-L767 WeakPolarHBondContact O-CB 3.32Å; L764-L767 PolarHBondContact O-N 3.49Å; L764-L767 VanDerWaalsContact O-N 3.07Å; L767-K769 PolarHBondContact O-N 3.31Å; L767-Q770 PolarHBondContact O-N 3.13Å; L767-S771 PolarHBondContact O-N 2.89Å; L767-S771 PolarHBondContact O-OG 3.03Å; L767-R808 VanDerWaalsContact CD2-CZ 3.42Å; L767-R808 VanDerWaalsContact CD2-NH2 3.31Å
768L98.1Very high95.8Very high0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-59.7-46.1175.9176.358.8000111.3V699 F738 L745 F753 L764 M765 Q770 S771 I772V699-L768 HydrophobicContact CB-CD1 4.25Å; V699-L768 HydrophobicContact CG1-CD1 3.8Å; V699-L768 HydrophobicContact CG1-CD2 4.11Å; F738-L768 HydrophobicContact CD2-CG 4.43Å; F738-L768 HydrophobicContact CE2-CG 4.33Å; L745-L768 HydrophobicContact CD1-CD2 3.98Å; F753-L768 HydrophobicContact CE2-CD2 4.35Å; L764-L768 HydrophobicContact CD2-CB 4.48Å; L764-L768 WeakPolarHBondContact O-CB 3.25Å; L764-L768 PolarHBondContact O-N 3.41Å; M765-L768 HydrophobicContact CE-CD2 4.11Å; M765-L768 HydrophobicContact SD-CD2 4.21Å; L768-Q770 VanDerWaalsContact C-N 3.34Å; L768-Q770 PolarHBondContact O-N 3.1Å; L768-S771 PolarHBondContact O-N 2.79Å; L768-I772 HydrophobicContact CD1-CD1 3.94Å; L768-I772 HydrophobicContact CD1-CG1 4.27Å; L768-I772 HydrophobicContact CG-CD1 4.34Å; L768-I772 PolarHBondContact O-N 3.47Å
769K97.6Very high95.7Very high80 Ų8043.6 Ų43.635%0.34822%0.219SC..Hα-helixtrans-59.6-44.3174.7-172.2175.3176.8177.30111.9F738 M765 Q766 L767 L773F738-K769 HydrophobicContact CD1-CD 4.24Å; F738-K769 HydrophobicContact CD1-CG 4.07Å; F738-K769 HydrophobicContact CD2-CB 3.75Å; F738-K769 HydrophobicContact CD2-CG 4.05Å; F738-K769 HydrophobicContact CE1-CB 4.28Å; F738-K769 HydrophobicContact CE1-CD 3.94Å; F738-K769 HydrophobicContact CE1-CG 4.08Å; F738-K769 HydrophobicContact CE2-CB 3.46Å; F738-K769 VanDerWaalsContact CE2-CB 3.46Å; F738-K769 HydrophobicContact CE2-CG 4.06Å; F738-K769 HydrophobicContact CG-CB 4.28Å; F738-K769 HydrophobicContact CG-CG 4.05Å; F738-K769 HydrophobicContact CZ-CB 3.75Å; F738-K769 HydrophobicContact CZ-CD 4.14Å; F738-K769 HydrophobicContact CZ-CG 4.08Å; M765-K769 WeakPolarHBondContact O-CB 3.3Å; M765-K769 PolarHBondContact O-N 3.07Å; M765-K769 VanDerWaalsContact O-N 3.1Å; Q766-K769 PolarHBondContact O-N 2.98Å; L767-K769 PolarHBondContact O-N 3.31Å; K769-L773 HydrophobicContact CD-CD1 4.47Å; K769-L773 HydrophobicContact CG-CD1 3.9Å; K769-L773 HydrophobicContact CG-CG 4.35Å; K769-L773 WeakPolarHBondContact O-CB 3.22Å; K769-L773 VanDerWaalsContact O-CG 3.27Å; K769-L773 WeakPolarHBondContact O-CG 3.37Å; K769-L773 PolarHBondContact O-N 2.96Å
770Q96.2Very high95.8Very high43 Ų4336.4 Ų36.420%0.20119%0.188CC..Hα-helixtrans-66.4-36.3178.6-75174.9-20.100112.5Q766 L767 L768 A774Q766-Q770 WeakPolarHBondContact O-CB 3.17Å; Q766-Q770 VanDerWaalsContact O-CG 3.31Å; Q766-Q770 WeakPolarHBondContact O-CG 3.18Å; Q766-Q770 PolarHBondContact O-N 3.31Å; L767-Q770 PolarHBondContact O-N 3.13Å; L768-Q770 VanDerWaalsContact C-N 3.34Å; L768-Q770 PolarHBondContact O-N 3.1Å; Q770-A774 WeakPolarHBondContact O-CB 3.48Å; Q770-A774 PolarHBondContact O-N 3.45Å; Q770-A774 VanDerWaalsContact O-N 3.16Å
771S97Very high95.8Very high1 Ų136.6 Ų36.61%0.00719%0.187CC..Hα-helixtrans-65.8-51.2175.6-590000110.8L767 L768 L773 A774 M812L767-S771 PolarHBondContact O-N 2.89Å; L767-S771 PolarHBondContact O-OG 3.03Å; L768-S771 PolarHBondContact O-N 2.79Å; S771-L773 PolarHBondContact O-N 3.22Å; S771-A774 WeakPolarHBondContact O-CB 3.32Å; S771-A774 PolarHBondContact O-N 3.03Å; S771-A774 VanDerWaalsContact O-N 3.09Å; S771-M812 WeakPolarHBondContact O-CG 3.4Å
772I98.2Very high95.6Very high0 Ų039.8 Ų39.80%021%0.205CC..Hα-helixtrans-63.5-42179.3-65.6176.8000111.6C703 H704 E734 H737 F738 A741 L768 A774 T775C703-I772 HydrophobicContact CB-CD1 3.81Å; H704-I772 HydrophobicContact CB-CG1 4.4Å; E734-I772 WeakPolarHBondContact O-CG2 3.04Å; H737-I772 HydrophobicContact CB-CG2 4.08Å; F738-I772 HydrophobicContact CB-CB 4.46Å; F738-I772 HydrophobicContact CB-CD1 4.3Å; F738-I772 HydrophobicContact CB-CG2 4.17Å; F738-I772 HydrophobicContact CD2-CD1 4.35Å; A741-I772 HydrophobicContact CB-CD1 4.4Å; L768-I772 HydrophobicContact CD1-CD1 3.94Å; L768-I772 HydrophobicContact CD1-CG1 4.27Å; L768-I772 HydrophobicContact CG-CD1 4.34Å; L768-I772 PolarHBondContact O-N 3.47Å; I772-A774 PolarHBondContact O-N 2.99Å; I772-T775 PolarHBondContact O-N 3.39Å; I772-T775 PolarHBondContact O-OG1 3.14Å
773L96.2Very high95.5Very high28 Ų2840.1 Ų40.115%0.14720%0.195CC..Hα-helixtrans-67-19.8176.4-67.5177000113.3A731 E734 K769 S771 T775 D776 L779A731-L773 HydrophobicContact CB-CD2 4.02Å; E734-L773 HydrophobicContact CB-CD2 3.81Å; K769-L773 HydrophobicContact CD-CD1 4.47Å; K769-L773 HydrophobicContact CG-CD1 3.9Å; K769-L773 HydrophobicContact CG-CG 4.35Å; K769-L773 WeakPolarHBondContact O-CB 3.22Å; K769-L773 VanDerWaalsContact O-CG 3.27Å; K769-L773 WeakPolarHBondContact O-CG 3.37Å; K769-L773 PolarHBondContact O-N 2.96Å; S771-L773 PolarHBondContact O-N 3.22Å; L773-T775 PolarHBondContact O-N 2.79Å; L773-D776 PolarHBondContact O-N 3.11Å; L773-L779 HydrophobicContact CB-CD1 4.15Å; L773-L779 WeakPolarHBondContact O-CD1 3.3Å
774A95.8Very high95.5Very high5 Ų539.5 Ų39.54%0.04119%0.188CC..THydrogen-bonded Turntrans-77.2-3.2179.800000114.5Q770 S771 I772 M812 T813Q770-A774 WeakPolarHBondContact O-CB 3.48Å; Q770-A774 PolarHBondContact O-N 3.45Å; Q770-A774 VanDerWaalsContact O-N 3.16Å; S771-A774 WeakPolarHBondContact O-CB 3.32Å; S771-A774 PolarHBondContact O-N 3.03Å; S771-A774 VanDerWaalsContact O-N 3.09Å; I772-A774 PolarHBondContact O-N 2.99Å; A774-M812 HydrophobicContact CB-CB 4.38Å; A774-T813 PolarHBondContact O-OG1 3.14Å; A774-T813 VanDerWaalsContact O-OG1 3.08Å
775T96.6Very high95.4Very high11 Ų1143.1 Ų43.17%0.06721%0.21CC..THydrogen-bonded Turntrans-80.9-20.3170.359.40000112.6H704 I772 L773 L777 M812 D816H704-T775 HydrophobicContact CB-CG2 4.04Å; I772-T775 PolarHBondContact O-N 3.39Å; I772-T775 PolarHBondContact O-OG1 3.14Å; L773-T775 PolarHBondContact O-N 2.79Å; T775-L777 PolarHBondContact O-N 2.97Å; T775-M812 HydrophobicContact CG2-CE 4.16Å; T775-M812 HydrophobicContact CG2-CG 3.69Å; T775-M812 HydrophobicContact CG2-SD 4.38Å; T775-D816 HydrophobicContact CG2-CB 4.39Å
776D96.1Very high95.2Very high11 Ų1145.7 Ų45.76%0.05922%0.222CC..SBendtrans-62.5113.6170.4-173.1-17.5000109.2A731 E734 L773 T778 L779 Y780A731-D776 WeakPolarHBondContact CA-OD2 3.43Å; A731-D776 HydrophobicContact CB-CB 4.45Å; A731-D776 PolarHBondContact N-OD2 3.18Å; E734-D776 HydrophobicContact CG-CB 4.03Å; L773-D776 PolarHBondContact O-N 3.11Å; D776-T778 PolarHBondContact O-N 2.74Å; D776-T778 WeakPolarHBondContact OD1-CB 3.25Å; D776-T778 PolarHBondContact OD1-N 2.71Å; D776-T778 PolarHBondContact OD1-OG1 2.87Å; D776-L779 HydrophobicContact CB-CD1 4.29Å; D776-L779 HydrophobicContact CB-CG 4.46Å; D776-L779 PolarHBondContact O-N 3.37Å; D776-Y780 PolarHBondContact O-N 3.39Å; D776-Y780 VanDerWaalsContact O-N 3.13Å
777L93.5Very high95.2Very high52 Ų5241 Ų4127%0.27220%0.2SC..Hα-helixtrans-55.7-28.1179.2-69.3168.7000112.3T775 Y780 F781 T813 L817 W872T775-L777 PolarHBondContact O-N 2.97Å; L777-Y780 HydrophobicContact CD2-CD1 4.41Å; L777-Y780 WeakPolarHBondContact O-CB 3.39Å; L777-Y780 PolarHBondContact O-N 3.12Å; L777-F781 HydrophobicContact CB-CE2 4.4Å; L777-F781 WeakPolarHBondContact O-CD2 3.34Å; L777-F781 PolarHBondContact O-N 3.46Å; L777-T813 HydrophobicContact CD2-CG2 4.23Å; L777-L817 HydrophobicContact CD2-CD1 4.34Å; L777-W872 HydrophobicContact CD1-CH2 3.65Å; L777-W872 HydrophobicContact CD1-CZ3 4.05Å; L777-W872 HydrophobicContact CD2-CH2 4.21Å
778T92.6Very high95.1Very high76 Ų7642.7 Ų42.747%0.46621%0.207SC..Hα-helixtrans-58.4-47.9174-43.30000110.9D776 Y780 F781 E782D776-T778 PolarHBondContact O-N 2.74Å; D776-T778 WeakPolarHBondContact OD1-CB 3.25Å; D776-T778 PolarHBondContact OD1-N 2.71Å; D776-T778 PolarHBondContact OD1-OG1 2.87Å; T778-Y780 VanDerWaalsContact C-N 3.35Å; T778-F781 PolarHBondContact O-N 3.37Å; T778-E782 PolarHBondContact O-N 2.91Å; T778-E782 VanDerWaalsContact O-N 3.12Å
779L91.2Very high95Very high35 Ų3547.1 Ų47.118%0.18323%0.227CC..Hα-helixtrans-71.3-29.9177.9-69.3171.6000112L773 D776 E782 R783L773-L779 HydrophobicContact CB-CD1 4.15Å; L773-L779 WeakPolarHBondContact O-CD1 3.3Å; D776-L779 HydrophobicContact CB-CD1 4.29Å; D776-L779 HydrophobicContact CB-CG 4.46Å; D776-L779 PolarHBondContact O-N 3.37Å; L779-E782 WeakPolarHBondContact CD2-OE2 3.38Å; L779-R783 WeakPolarHBondContact O-CB 3.19Å; L779-R783 WeakPolarHBondContact O-CG 3.49Å; L779-R783 PolarHBondContact O-N 2.85Å; L779-R783 VanDerWaalsContact O-N 3.13Å
780Y94.8Very high94.8Very high2 Ų244.2 Ų44.21%0.00822%0.216CC..Hα-helixtrans-62-46.4167157.3-93.7000111.7D776 L777 T778 E782 R783 R784 M810 T813 I876 L880D776-Y780 PolarHBondContact O-N 3.39Å; D776-Y780 VanDerWaalsContact O-N 3.13Å; L777-Y780 HydrophobicContact CD2-CD1 4.41Å; L777-Y780 WeakPolarHBondContact O-CB 3.39Å; L777-Y780 PolarHBondContact O-N 3.12Å; T778-Y780 VanDerWaalsContact C-N 3.35Å; Y780-E782 VanDerWaalsContact C-N 3.31Å; Y780-E782 PolarHBondContact O-N 3.21Å; Y780-R783 PolarHBondContact O-N 2.95Å; Y780-R784 HydrophobicContact CD2-CB 4.16Å; Y780-R784 VanDerWaalsContact CE1-CD 3.4Å; Y780-R784 HydrophobicContact CE2-CB 3.82Å; Y780-R784 VanDerWaalsContact O-CB 3.23Å; Y780-R784 WeakPolarHBondContact O-CB 3.47Å; Y780-R784 WeakPolarHBondContact O-CG 3.43Å; Y780-R784 PolarHBondContact O-N 3.25Å; Y780-R784 WeakPolarHBondContact OH-CD 3.48Å; Y780-R784 PolarHBondContact OH-NH1 3.37Å; Y780-M810 HydrophobicContact CD2-CE 3.72Å; Y780-M810 HydrophobicContact CD2-SD 3.9Å; Y780-M810 HydrophobicContact CE2-CE 4.45Å; Y780-M810 HydrophobicContact CE2-SD 4.05Å; Y780-T813 HydrophobicContact CD2-CG2 3.81Å; Y780-T813 HydrophobicContact CE2-CG2 4.46Å; Y780-T813 HydrophobicContact CG-CG2 3.99Å; Y780-I876 HydrophobicContact CE1-CG2 4.02Å; Y780-I876 PolarHBondContact OH-O 3.42Å; Y780-L880 HydrophobicContact CE2-CD1 4.33Å; Y780-L880 HydrophobicContact CE2-CD2 4.1Å
781F94.5Very high94.7Very high85 Ų8543 Ų4337%0.37321%0.211SC..Hα-helixtrans-62.7-36.1178.7-79.1-69.8000112.7L777 T778 R784 I876L777-F781 HydrophobicContact CB-CE2 4.4Å; L777-F781 WeakPolarHBondContact O-CD2 3.34Å; L777-F781 PolarHBondContact O-N 3.46Å; T778-F781 PolarHBondContact O-N 3.37Å; F781-R784 VanDerWaalsContact CD1-CZ 3.44Å; F781-I876 HydrophobicContact CE1-CG1 4.33Å; F781-I876 HydrophobicContact CE2-CD1 4.4Å; F781-I876 HydrophobicContact CZ-CD1 3.76Å; F781-I876 HydrophobicContact CZ-CG1 3.77Å
782E92.3Very high94.5Very high132 Ų13246.8 Ų46.862%0.61724%0.237SC*.Hα-helixtrans-64.7-42.6173.7-70.3178-172.900112.5T778 L779 Y780T778-E782 PolarHBondContact O-N 2.91Å; T778-E782 VanDerWaalsContact O-N 3.12Å; L779-E782 WeakPolarHBondContact CD2-OE2 3.38Å; Y780-E782 VanDerWaalsContact C-N 3.31Å; Y780-E782 PolarHBondContact O-N 3.21Å
783R92.2Very high94.2Very high80 Ų8052.1 Ų52.130%0.30226%0.261SS..Hα-helixtrans-92.6-24-172.3-67.1-178.5179.7-168.8-0.3115.4L779 Y780 T785 E786 F787 S809 M810L779-R783 WeakPolarHBondContact O-CB 3.19Å; L779-R783 WeakPolarHBondContact O-CG 3.49Å; L779-R783 PolarHBondContact O-N 2.85Å; L779-R783 VanDerWaalsContact O-N 3.13Å; Y780-R783 PolarHBondContact O-N 2.95Å; R783-T785 PolarHBondContact O-N 2.72Å; R783-E786 PolarHBondContact O-N 2.95Å; R783-F787 PolarHBondContact O-N 3.34Å; R783-S809 PolarHBondContact NH1-OG 2.87Å; R783-M810 HydrophobicContact CB-CE 3.99Å
784R94.6Very high93.9Very high51 Ų5153.8 Ų53.819%0.19228%0.284CS..Hα-helixtrans-62.3-30.3-173.672-176.8-166158.90.8113.3Y780 F781 F787 F788 M810 S875Y780-R784 HydrophobicContact CD2-CB 4.16Å; Y780-R784 VanDerWaalsContact CE1-CD 3.4Å; Y780-R784 HydrophobicContact CE2-CB 3.82Å; Y780-R784 VanDerWaalsContact O-CB 3.23Å; Y780-R784 WeakPolarHBondContact O-CB 3.47Å; Y780-R784 WeakPolarHBondContact O-CG 3.43Å; Y780-R784 PolarHBondContact O-N 3.25Å; Y780-R784 WeakPolarHBondContact OH-CD 3.48Å; Y780-R784 PolarHBondContact OH-NH1 3.37Å; F781-R784 VanDerWaalsContact CD1-CZ 3.44Å; R784-F787 PolarHBondContact O-N 2.97Å; R784-F788 HydrophobicContact CB-CE2 4.11Å; R784-F788 HydrophobicContact CB-CZ 4.13Å; R784-F788 HydrophobicContact CG-CE2 4.15Å; R784-F788 WeakPolarHBondContact O-CB 3.42Å; R784-F788 WeakPolarHBondContact O-CD2 3.45Å; R784-F788 WeakPolarHBondContact O-CG 3.39Å; R784-F788 PolarHBondContact O-N 3.19Å; R784-M810 HydrophobicContact CB-CE 4.46Å; R784-M810 HydrophobicContact CB-SD 4.1Å; R784-S875 PolarHBondContact NH1-O 3.09Å
785T94.1Very high93.6Very high77 Ų7759 Ų5947%0.47231%0.308SS..Hα-helixtrans-65-46.5179.5-49.40000110.9R783 F787 F788 E789R783-T785 PolarHBondContact O-N 2.72Å; T785-F787 VanDerWaalsContact C-N 3.35Å; T785-F787 PolarHBondContact O-N 3.35Å; T785-F788 PolarHBondContact O-N 3Å; T785-E789 WeakPolarHBondContact O-CB 3.32Å; T785-E789 WeakPolarHBondContact O-CG 3.38Å; T785-E789 PolarHBondContact O-N 3.1Å
786E94.6Very high93.1Very high77 Ų7760.1 Ų60.136%0.3631%0.311SS..Hα-helixtrans-57.9-47.5173.6-178-178-178.300110.8R783 E789 L790 N802R783-E786 PolarHBondContact O-N 2.95Å; E786-E789 PolarHBondContact O-N 2.96Å; E786-L790 HydrophobicContact CG-CD1 4.08Å; E786-L790 VanDerWaalsContact O-CG 3.3Å; E786-L790 WeakPolarHBondContact O-CG 3.4Å; E786-L790 PolarHBondContact O-N 3.2Å; E786-N802 PolarHBondContact OE1-ND2 3.24Å
787F95.7Very high92.8Very high0 Ų062.5 Ų62.50%032%0.324CS..Hα-helixtrans-60.3-49.2177.4-176.8-120.3000112.8R783 R784 T785 E789 L790 V791 Y796 V806 F807 M810 A883 L884 V887R783-F787 PolarHBondContact O-N 3.34Å; R784-F787 PolarHBondContact O-N 2.97Å; T785-F787 VanDerWaalsContact C-N 3.35Å; T785-F787 PolarHBondContact O-N 3.35Å; F787-E789 VanDerWaalsContact C-N 3.31Å; F787-E789 PolarHBondContact O-N 3.42Å; F787-L790 PolarHBondContact O-N 3.28Å; F787-V791 HydrophobicContact CD2-CG2 3.92Å; F787-V791 HydrophobicContact CE1-CG2 4.24Å; F787-V791 HydrophobicContact CE2-CG2 3.54Å; F787-V791 HydrophobicContact CG-CG2 4.4Å; F787-V791 HydrophobicContact CZ-CG2 3.72Å; F787-V791 WeakPolarHBondContact O-CB 3.42Å; F787-V791 VanDerWaalsContact O-CG2 3.26Å; F787-V791 WeakPolarHBondContact O-CG2 3.28Å; F787-V791 PolarHBondContact O-N 3.34Å; F787-Y796 HydrophobicContact CD2-CE2 4.45Å; F787-Y796 HydrophobicContact CE2-CE2 4.31Å; F787-V806 HydrophobicContact CB-CG1 3.71Å; F787-V806 HydrophobicContact CD2-CG1 4.17Å; F787-V806 HydrophobicContact CG-CG1 4.34Å; F787-F807 HydrophobicContact CE2-CB 4.37Å; F787-F807 AromaticContact CE2-CD2 3.88Å; F787-F807 HydrophobicContact CE2-CD2 3.88Å; F787-F807 HydrophobicContact CZ-CD2 4.11Å; F787-M810 HydrophobicContact CB-CG 3.91Å; F787-M810 HydrophobicContact CB-SD 4.17Å; F787-M810 HydrophobicContact CD1-CB 4.18Å; F787-M810 HydrophobicContact CD1-CG 3.58Å; F787-M810 HydrophobicContact CD1-SD 4Å; F787-M810 HydrophobicContact CD2-CG 4.11Å; F787-M810 HydrophobicContact CE1-CB 4.17Å; F787-M810 HydrophobicContact CE1-CG 4.07Å; F787-M810 HydrophobicContact CG-CB 4.47Å; F787-M810 HydrophobicContact CG-CG 3.59Å; F787-M810 HydrophobicContact CG-SD 4.27Å; F787-M810 HydrophobicContact CZ-CB 4.46Å; F787-A883 HydrophobicContact CD1-CB 4.23Å; F787-A883 HydrophobicContact CE1-CB 3.74Å; F787-L884 HydrophobicContact CE1-CD2 4.38Å; F787-L884 HydrophobicContact CZ-CD2 4.07Å; F787-V887 HydrophobicContact CE2-CG2 4.28Å; F787-V887 HydrophobicContact CZ-CG2 3.98Å
788F96.1Very high92.7Very high51 Ų5163.6 Ų63.622%0.22432%0.324CS..Hα-helixtrans-65.7-34.2-178.6-64.7-15000112R784 T785 S792 P879 A883R784-F788 HydrophobicContact CB-CE2 4.11Å; R784-F788 HydrophobicContact CB-CZ 4.13Å; R784-F788 HydrophobicContact CG-CE2 4.15Å; R784-F788 WeakPolarHBondContact O-CB 3.42Å; R784-F788 WeakPolarHBondContact O-CD2 3.45Å; R784-F788 WeakPolarHBondContact O-CG 3.39Å; R784-F788 PolarHBondContact O-N 3.19Å; T785-F788 PolarHBondContact O-N 3Å; F788-S792 WeakPolarHBondContact O-CB 3.37Å; F788-S792 PolarHBondContact O-N 2.81Å; F788-S792 PolarHBondContact O-OG 2.72Å; F788-P879 HydrophobicContact CE2-CB 4Å; F788-P879 HydrophobicContact CZ-CB 3.91Å; F788-A883 HydrophobicContact CD1-CB 3.57Å; F788-A883 HydrophobicContact CE1-CB 3.63Å
789E94.6Very high92.7Very high93 Ų9366.5 Ų66.544%0.43534%0.337SS..Hα-helixtrans-66.3-50.8172.4-78.1-165.1-143.300112T785 E786 F787 V791 S792 K793T785-E789 WeakPolarHBondContact O-CB 3.32Å; T785-E789 WeakPolarHBondContact O-CG 3.38Å; T785-E789 PolarHBondContact O-N 3.1Å; E786-E789 PolarHBondContact O-N 2.96Å; F787-E789 VanDerWaalsContact C-N 3.31Å; F787-E789 PolarHBondContact O-N 3.42Å; E789-V791 VanDerWaalsContact C-N 3.31Å; E789-V791 PolarHBondContact O-N 2.62Å; E789-S792 PolarHBondContact O-N 3.09Å; E789-S792 PolarHBondContact O-OG 2.96Å; E789-S792 VanDerWaalsContact O-OG 3.1Å; E789-K793 WeakPolarHBondContact O-CB 3.43Å; E789-K793 WeakPolarHBondContact O-CG 3.41Å; E789-K793 PolarHBondContact O-N 3.4Å; E789-K793 WeakPolarHBondContact OE2-CE 3.42Å; E789-K793 IonicContact OE2-NZ 3.15Å; E789-K793 PolarHBondContact OE2-NZ 2.7Å
790L94.5Very high92.8Very high19 Ų1968.5 Ų68.510%0.09935%0.347CS..Hα-helixtrans-57-44.3178.6-71.1169.5000111.9E786 F787 G794 E795 Y796E786-L790 HydrophobicContact CG-CD1 4.08Å; E786-L790 VanDerWaalsContact O-CG 3.3Å; E786-L790 WeakPolarHBondContact O-CG 3.4Å; E786-L790 PolarHBondContact O-N 3.2Å; F787-L790 PolarHBondContact O-N 3.28Å; L790-G794 PolarHBondContact O-N 3.42Å; L790-G794 VanDerWaalsContact O-N 3.09Å; L790-E795 HydrophobicContact CD2-CB 4.26Å; L790-E795 PolarHBondContact O-N 3.32Å; L790-E795 VanDerWaalsContact O-N 3.12Å; L790-Y796 HydrophobicContact CB-CD2 4.06Å; L790-Y796 HydrophobicContact CD1-CD2 4.36Å
791V93.8Very high92.6Very high18 Ų1873.2 Ų73.211%0.10937%0.368CS..Hα-helixtrans-71.5-36.1179.71740000112.5F787 E789 A883 K886 V887F787-V791 HydrophobicContact CD2-CG2 3.92Å; F787-V791 HydrophobicContact CE1-CG2 4.24Å; F787-V791 HydrophobicContact CE2-CG2 3.54Å; F787-V791 HydrophobicContact CG-CG2 4.4Å; F787-V791 HydrophobicContact CZ-CG2 3.72Å; F787-V791 WeakPolarHBondContact O-CB 3.42Å; F787-V791 VanDerWaalsContact O-CG2 3.26Å; F787-V791 WeakPolarHBondContact O-CG2 3.28Å; F787-V791 PolarHBondContact O-N 3.34Å; E789-V791 VanDerWaalsContact C-N 3.31Å; E789-V791 PolarHBondContact O-N 2.62Å; V791-A883 HydrophobicContact CG1-CB 4.43Å; V791-K886 HydrophobicContact CG1-CB 3.61Å; V791-K886 HydrophobicContact CG1-CD 4.12Å; V791-V887 HydrophobicContact CB-CG2 4.43Å; V791-V887 HydrophobicContact CG1-CG2 4.01Å; V791-V887 HydrophobicContact CG2-CG2 3.49Å; V791-V887 VanDerWaalsContact CG2-CG2 3.49Å
792S92.8Very high92.6Very high79 Ų7973 Ų7355%0.55237%0.37SS*.Hα-helixtrans-76.6-31.2179.958.40000113.5F788 E789F788-S792 WeakPolarHBondContact O-CB 3.37Å; F788-S792 PolarHBondContact O-N 2.81Å; F788-S792 PolarHBondContact O-OG 2.72Å; E789-S792 PolarHBondContact O-N 3.09Å; E789-S792 PolarHBondContact O-OG 2.96Å; E789-S792 VanDerWaalsContact O-OG 3.1Å
793K92.6Very high92.7Very high113 Ų11367.7 Ų67.749%0.49135%0.345SS..Hα-helixtrans-82.4-19.3174.7-62.3170.3-168.6166.40113.2E789 E795E789-K793 WeakPolarHBondContact O-CB 3.43Å; E789-K793 WeakPolarHBondContact O-CG 3.41Å; E789-K793 PolarHBondContact O-N 3.4Å; E789-K793 WeakPolarHBondContact OE2-CE 3.42Å; E789-K793 IonicContact OE2-NZ 3.15Å; E789-K793 PolarHBondContact OE2-NZ 2.7Å; K793-E795 VanDerWaalsContact C-N 3.3Å; K793-E795 HydrophobicContact CB-CB 4.37Å; K793-E795 HydrophobicContact CB-CG 3.74Å; K793-E795 WeakPolarHBondContact CD-OE2 3.46Å
794G88.3Confident92.8Very high63 Ų6365.8 Ų65.865%0.64934%0.338SS*.THydrogen-bonded Turntrans75.318.4-173.500000113.7L790 Y796L790-G794 PolarHBondContact O-N 3.42Å; L790-G794 VanDerWaalsContact O-N 3.09Å; G794-Y796 PolarHBondContact O-N 2.7Å
795E90.1Very high92.7Very high115 Ų11564.3 Ų64.354%0.53733%0.334SS..  trans-83.85.9-178.3-68.9171.8171.500112.8L790 K793 D797L790-E795 HydrophobicContact CD2-CB 4.26Å; L790-E795 PolarHBondContact O-N 3.32Å; L790-E795 VanDerWaalsContact O-N 3.12Å; K793-E795 VanDerWaalsContact C-N 3.3Å; K793-E795 HydrophobicContact CB-CB 4.37Å; K793-E795 HydrophobicContact CB-CG 3.74Å; K793-E795 WeakPolarHBondContact CD-OE2 3.46Å; E795-D797 PolarHBondContact O-N 2.97Å
796Y86.9Confident92.8Very high34 Ų3460.9 Ų60.913%0.13331%0.313CS..  trans-77.7106.4-172.4-169.6-73.8000111.6F787 L790 G794 W798 H803 R804 F807F787-Y796 HydrophobicContact CD2-CE2 4.45Å; F787-Y796 HydrophobicContact CE2-CE2 4.31Å; L790-Y796 HydrophobicContact CB-CD2 4.06Å; L790-Y796 HydrophobicContact CD1-CD2 4.36Å; G794-Y796 PolarHBondContact O-N 2.7Å; Y796-W798 HydrophobicContact CD1-CD2 4.29Å; Y796-W798 HydrophobicContact CD1-CE3 4.48Å; Y796-W798 HydrophobicContact CD1-CH2 4.19Å; Y796-W798 AromaticContact CD1-CZ2 3.97Å; Y796-W798 HydrophobicContact CD1-CZ2 3.97Å; Y796-W798 HydrophobicContact CD1-CZ3 4.45Å; Y796-W798 AromaticContact CE1-CD2 3.56Å; Y796-W798 HydrophobicContact CE1-CD2 3.56Å; Y796-W798 AromaticContact CE1-CE2 3.61Å; Y796-W798 AromaticContact CE1-CE3 3.38Å; Y796-W798 HydrophobicContact CE1-CE3 3.38Å; Y796-W798 HydrophobicContact CE1-CG 4.41Å; Y796-W798 AromaticContact CE1-CH2 3.37Å; Y796-W798 HydrophobicContact CE1-CH2 3.37Å; Y796-W798 AromaticContact CE1-CZ2 3.54Å; Y796-W798 HydrophobicContact CE1-CZ2 3.54Å; Y796-W798 AromaticContact CE1-CZ3 3.3Å; Y796-W798 HydrophobicContact CE1-CZ3 3.3Å; Y796-W798 AromaticContact CZ-CE3 3.93Å; Y796-W798 AromaticContact CZ-CH2 3.82Å; Y796-W798 AromaticContact CZ-CZ3 3.56Å; Y796-W798 WeakPolarHBondContact OH-CZ3 3.42Å; Y796-H803 HydrophobicContact CD2-CB 4.36Å; Y796-H803 HydrophobicContact CE1-CB 4.3Å; Y796-H803 HydrophobicContact CE2-CB 3.79Å; Y796-H803 PolarHBondContact OH-O 2.84Å; Y796-R804 PolarHBondContact OH-N 3.49Å; Y796-F807 HydrophobicContact CE2-CB 4.06Å; Y796-F807 WeakPolarHBondContact OH-CB 3.5Å
797D90Very high92.8Very high60 Ų6057.2 Ų57.232%0.32130%0.296SS..  trans-108.8126.5176.9176.314000112.7E795 N799 I800 H803E795-D797 PolarHBondContact O-N 2.97Å; D797-N799 VanDerWaalsContact C-N 3.33Å; D797-N799 PolarHBondContact O-N 3.46Å; D797-N799 WeakPolarHBondContact OD1-CB 3.43Å; D797-N799 PolarHBondContact OD1-N 3.2Å; D797-N799 PolarHBondContact OD1-ND2 3.05Å; D797-I800 HydrophobicContact CB-CD1 4.14Å; D797-I800 HydrophobicContact CB-CG1 4.39Å; D797-I800 PolarHBondContact O-N 2.97Å; D797-H803 PolarHBondContact N-ND1 2.8Å; D797-H803 VanDerWaalsContact N-ND1 3.14Å; D797-H803 WeakPolarHBondContact O-CB 3.15Å; D797-H803 PolarHBondContact O-ND1 2.93Å
798W91Very high92.8Very high75 Ų7557.3 Ų57.328%0.28430%0.296SS..THydrogen-bonded Turntrans-69.4-21.5178.3-59.7110.9000114.8I688 Y796 I800 R804 F807 V887I688-W798 HydrophobicContact CB-CE3 4.47Å; I688-W798 HydrophobicContact CD1-CD2 4.4Å; I688-W798 HydrophobicContact CD1-CH2 4.45Å; I688-W798 HydrophobicContact CD1-CZ2 3.95Å; I688-W798 HydrophobicContact CG2-CD2 3.31Å; I688-W798 HydrophobicContact CG2-CE3 2.99Å; I688-W798 HydrophobicContact CG2-CG 4Å; I688-W798 HydrophobicContact CG2-CH2 3.88Å; I688-W798 HydrophobicContact CG2-CZ2 4.13Å; I688-W798 HydrophobicContact CG2-CZ3 3.31Å; Y796-W798 HydrophobicContact CD1-CD2 4.29Å; Y796-W798 HydrophobicContact CD1-CE3 4.48Å; Y796-W798 HydrophobicContact CD1-CH2 4.19Å; Y796-W798 AromaticContact CD1-CZ2 3.97Å; Y796-W798 HydrophobicContact CD1-CZ2 3.97Å; Y796-W798 HydrophobicContact CD1-CZ3 4.45Å; Y796-W798 AromaticContact CE1-CD2 3.56Å; Y796-W798 HydrophobicContact CE1-CD2 3.56Å; Y796-W798 AromaticContact CE1-CE2 3.61Å; Y796-W798 AromaticContact CE1-CE3 3.38Å; Y796-W798 HydrophobicContact CE1-CE3 3.38Å; Y796-W798 HydrophobicContact CE1-CG 4.41Å; Y796-W798 AromaticContact CE1-CH2 3.37Å; Y796-W798 HydrophobicContact CE1-CH2 3.37Å; Y796-W798 AromaticContact CE1-CZ2 3.54Å; Y796-W798 HydrophobicContact CE1-CZ2 3.54Å; Y796-W798 AromaticContact CE1-CZ3 3.3Å; Y796-W798 HydrophobicContact CE1-CZ3 3.3Å; Y796-W798 AromaticContact CZ-CE3 3.93Å; Y796-W798 AromaticContact CZ-CH2 3.82Å; Y796-W798 AromaticContact CZ-CZ3 3.56Å; Y796-W798 WeakPolarHBondContact OH-CZ3 3.42Å; W798-I800 VanDerWaalsContact C-N 3.3Å; W798-R804 HydrophobicContact CE3-CG 4.28Å; W798-R804 VanDerWaalsContact O-CD 3.32Å; W798-R804 WeakPolarHBondContact O-CD 3.18Å; W798-R804 WeakPolarHBondContact O-CG 3.26Å; W798-R804 PolarHBondContact O-NH1 3.46Å; W798-F807 AromaticContact CH2-CD1 3.83Å; W798-F807 HydrophobicContact CH2-CD1 3.83Å; W798-F807 HydrophobicContact CH2-CD2 4.2Å; W798-F807 AromaticContact CH2-CE1 3.73Å; W798-F807 HydrophobicContact CH2-CE1 3.73Å; W798-F807 HydrophobicContact CH2-CE2 4.14Å; W798-F807 HydrophobicContact CH2-CG 4.04Å; W798-F807 AromaticContact CH2-CZ 3.91Å; W798-F807 HydrophobicContact CH2-CZ 3.91Å; W798-F807 HydrophobicContact CZ3-CB 4.44Å; W798-F807 AromaticContact CZ3-CD1 3.49Å; W798-F807 HydrophobicContact CZ3-CD1 3.49Å; W798-F807 VanDerWaalsContact CZ3-CD1 3.49Å; W798-F807 AromaticContact CZ3-CE1 3.72Å; W798-F807 HydrophobicContact CZ3-CE1 3.72Å; W798-F807 AromaticContact CZ3-CG 3.92Å; W798-F807 HydrophobicContact CZ3-CG 3.92Å; W798-F807 HydrophobicContact CZ3-CZ 4.36Å; W798-V887 HydrophobicContact CH2-CG1 3.91Å; W798-V887 HydrophobicContact CZ2-CG1 3.78Å
799N91.8Very high92.8Very high137 Ų13755 Ų5573%0.73329%0.287SS*.THydrogen-bonded Turntrans-70.1-31.8177.8-62.3-76000111.4D797 K801 R804D797-N799 VanDerWaalsContact C-N 3.33Å; D797-N799 PolarHBondContact O-N 3.46Å; D797-N799 WeakPolarHBondContact OD1-CB 3.43Å; D797-N799 PolarHBondContact OD1-N 3.2Å; D797-N799 PolarHBondContact OD1-ND2 3.05Å; N799-K801 PolarHBondContact O-N 3.19Å; N799-R804 PolarHBondContact O-NH1 3.02Å; N799-R804 VanDerWaalsContact O-NH1 3.14Å
800I93.5Very high93Very high77 Ų7750.7 Ų50.740%0.39527%0.267SS..SBendtrans-74117.1179.9-64.6172.3000109.9D797 W798 N802 H803 R804D797-I800 HydrophobicContact CB-CD1 4.14Å; D797-I800 HydrophobicContact CB-CG1 4.39Å; D797-I800 PolarHBondContact O-N 2.97Å; W798-I800 VanDerWaalsContact C-N 3.3Å; I800-N802 VanDerWaalsContact C-N 3.3Å; I800-N802 HydrophobicContact CG2-CB 4.15Å; I800-N802 PolarHBondContact O-N 3.33Å; I800-H803 HydrophobicContact CB-CB 4.4Å; I800-H803 PolarHBondContact O-N 3.4Å; I800-R804 PolarHBondContact O-N 3.13Å
801K91.3Very high93.1Very high101 Ų10149.8 Ų49.844%0.43926%0.262SS..Hα-helixtrans-55.4-42.8179.9-175.9-178.7175178.40112.6N799 H803 R804 D805N799-K801 PolarHBondContact O-N 3.19Å; K801-H803 VanDerWaalsContact C-N 3.32Å; K801-H803 PolarHBondContact O-N 3.48Å; K801-R804 PolarHBondContact O-N 2.85Å; K801-D805 WeakPolarHBondContact CE-OD2 3.45Å; K801-D805 PolarHBondContact O-N 2.98Å
802N93.7Very high93.3Very high80 Ų8049 Ų4943%0.42826%0.257SS..Hα-helixtrans-59.9-41.1-178.8-173.368.2000112.4E786 I800 D805 V806E786-N802 PolarHBondContact OE1-ND2 3.24Å; I800-N802 VanDerWaalsContact C-N 3.3Å; I800-N802 HydrophobicContact CG2-CB 4.15Å; I800-N802 PolarHBondContact O-N 3.33Å; N802-D805 PolarHBondContact O-N 2.9Å; N802-V806 WeakPolarHBondContact O-CG2 3.29Å; N802-V806 PolarHBondContact O-N 3.16Å
803H94.4Very high93.5Very high21 Ų2145.2 Ų45.210%0.09723%0.231CC..Hα-helixtrans-60.6-48.5175.8-63.5171.2000110.9Y796 D797 I800 K801 D805 V806 F807Y796-H803 HydrophobicContact CD2-CB 4.36Å; Y796-H803 HydrophobicContact CE1-CB 4.3Å; Y796-H803 HydrophobicContact CE2-CB 3.79Å; Y796-H803 PolarHBondContact OH-O 2.84Å; D797-H803 PolarHBondContact N-ND1 2.8Å; D797-H803 VanDerWaalsContact N-ND1 3.14Å; D797-H803 WeakPolarHBondContact O-CB 3.15Å; D797-H803 PolarHBondContact O-ND1 2.93Å; I800-H803 HydrophobicContact CB-CB 4.4Å; I800-H803 PolarHBondContact O-N 3.4Å; K801-H803 VanDerWaalsContact C-N 3.32Å; K801-H803 PolarHBondContact O-N 3.48Å; H803-D805 VanDerWaalsContact C-N 3.3Å; H803-D805 PolarHBondContact O-N 3.36Å; H803-V806 PolarHBondContact O-N 3.3Å; H803-F807 WeakPolarHBondContact O-CB 3.45Å; H803-F807 PolarHBondContact O-N 2.83Å
804R93.6Very high93.7Very high40 Ų4039.9 Ų39.915%0.15121%0.207CC..Hα-helixtrans-60.2-37.6174.9-61.8-160.9-53.4-81.1-0.8112.8E693 Y796 W798 N799 I800 K801 R808E693-R804 IonicContact OE1-CZ 2.76Å; E693-R804 IonicContact OE1-NE 3.5Å; E693-R804 PolarHBondContact OE1-NE 3.44Å; E693-R804 IonicContact OE1-NH2 3.3Å; E693-R804 PolarHBondContact OE1-NH2 2.74Å; E693-R804 IonicContact OE2-NE 2.65Å; E693-R804 PolarHBondContact OE2-NE 2.95Å; Y796-R804 PolarHBondContact OH-N 3.49Å; W798-R804 HydrophobicContact CE3-CG 4.28Å; W798-R804 VanDerWaalsContact O-CD 3.32Å; W798-R804 WeakPolarHBondContact O-CD 3.18Å; W798-R804 WeakPolarHBondContact O-CG 3.26Å; W798-R804 PolarHBondContact O-NH1 3.46Å; N799-R804 PolarHBondContact O-NH1 3.02Å; N799-R804 VanDerWaalsContact O-NH1 3.14Å; I800-R804 PolarHBondContact O-N 3.13Å; K801-R804 PolarHBondContact O-N 2.85Å; R804-R808 WeakPolarHBondContact O-CB 3.49Å; R804-R808 PolarHBondContact O-N 2.93Å
805D94.3Very high94.2Very high21 Ų2136.9 Ų36.911%0.11218%0.177CC..Hα-helixtrans-65.9-42.6176.9-71.5-18.7000111.8K801 N802 H803 R808 S809K801-D805 WeakPolarHBondContact CE-OD2 3.45Å; K801-D805 PolarHBondContact O-N 2.98Å; N802-D805 PolarHBondContact O-N 2.9Å; H803-D805 VanDerWaalsContact C-N 3.3Å; H803-D805 PolarHBondContact O-N 3.36Å; D805-R808 IonicContact OD1-CZ 3.44Å; D805-R808 IonicContact OD1-NH1 3.08Å; D805-R808 PolarHBondContact OD1-NH1 3.42Å; D805-R808 IonicContact OD1-NH2 3.26Å; D805-R808 PolarHBondContact OD1-NH2 2.88Å; D805-S809 PolarHBondContact O-N 3.07Å; D805-S809 VanDerWaalsContact O-N 3.12Å; D805-S809 PolarHBondContact O-OG 2.66Å
806V95.2Very high94.6Very high4 Ų432.3 Ų32.32%0.02416%0.156CC..Hα-helixtrans-65.6-49.4174.4171.40000110.8F787 N802 H803 R808 S809 M810F787-V806 HydrophobicContact CB-CG1 3.71Å; F787-V806 HydrophobicContact CD2-CG1 4.17Å; F787-V806 HydrophobicContact CG-CG1 4.34Å; N802-V806 WeakPolarHBondContact O-CG2 3.29Å; N802-V806 PolarHBondContact O-N 3.16Å; H803-V806 PolarHBondContact O-N 3.3Å; V806-R808 PolarHBondContact O-N 3.37Å; V806-S809 WeakPolarHBondContact O-CA 3.16Å; V806-S809 VanDerWaalsContact O-CB 3.26Å; V806-S809 WeakPolarHBondContact O-CB 3.29Å; V806-S809 PolarHBondContact O-N 3.25Å; V806-S809 VanDerWaalsContact O-N 3.11Å; V806-M810 WeakPolarHBondContact O-CG 3.44Å; V806-M810 PolarHBondContact O-N 2.92Å
807F95.5Very high95Very high0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-62.7-40.9178.5171.9-107.1000112.8F685 L689 F787 Y796 W798 H803 S809 M810 L811 L884 V887F685-F807 HydrophobicContact CD1-CE1 4.12Å; F685-F807 AromaticContact CD1-CZ 3.66Å; F685-F807 HydrophobicContact CD1-CZ 3.66Å; F685-F807 HydrophobicContact CD2-CZ 4.25Å; F685-F807 HydrophobicContact CE1-CE1 4.44Å; F685-F807 HydrophobicContact CE1-CE2 4.32Å; F685-F807 AromaticContact CE1-CZ 3.56Å; F685-F807 HydrophobicContact CE1-CZ 3.56Å; F685-F807 HydrophobicContact CE2-CZ 4.16Å; F685-F807 HydrophobicContact CG-CE1 4.37Å; F685-F807 HydrophobicContact CG-CZ 4.03Å; F685-F807 HydrophobicContact CZ-CE2 4.37Å; F685-F807 AromaticContact CZ-CZ 3.82Å; F685-F807 HydrophobicContact CZ-CZ 3.82Å; L689-F807 HydrophobicContact CD2-CD1 4.5Å; F787-F807 HydrophobicContact CE2-CB 4.37Å; F787-F807 AromaticContact CE2-CD2 3.88Å; F787-F807 HydrophobicContact CE2-CD2 3.88Å; F787-F807 HydrophobicContact CZ-CD2 4.11Å; Y796-F807 HydrophobicContact CE2-CB 4.06Å; Y796-F807 WeakPolarHBondContact OH-CB 3.5Å; W798-F807 AromaticContact CH2-CD1 3.83Å; W798-F807 HydrophobicContact CH2-CD1 3.83Å; W798-F807 HydrophobicContact CH2-CD2 4.2Å; W798-F807 AromaticContact CH2-CE1 3.73Å; W798-F807 HydrophobicContact CH2-CE1 3.73Å; W798-F807 HydrophobicContact CH2-CE2 4.14Å; W798-F807 HydrophobicContact CH2-CG 4.04Å; W798-F807 AromaticContact CH2-CZ 3.91Å; W798-F807 HydrophobicContact CH2-CZ 3.91Å; W798-F807 HydrophobicContact CZ3-CB 4.44Å; W798-F807 AromaticContact CZ3-CD1 3.49Å; W798-F807 HydrophobicContact CZ3-CD1 3.49Å; W798-F807 VanDerWaalsContact CZ3-CD1 3.49Å; W798-F807 AromaticContact CZ3-CE1 3.72Å; W798-F807 HydrophobicContact CZ3-CE1 3.72Å; W798-F807 AromaticContact CZ3-CG 3.92Å; W798-F807 HydrophobicContact CZ3-CG 3.92Å; W798-F807 HydrophobicContact CZ3-CZ 4.36Å; H803-F807 WeakPolarHBondContact O-CB 3.45Å; H803-F807 PolarHBondContact O-N 2.83Å; F807-S809 VanDerWaalsContact C-N 3.27Å; F807-S809 PolarHBondContact O-N 2.9Å; F807-M810 CarbonylContact O-C 3.25Å; F807-M810 PolarHBondContact O-N 2.81Å; F807-M810 VanDerWaalsContact O-N 3.14Å; F807-L811 HydrophobicContact CD1-CD1 3.95Å; F807-L811 HydrophobicContact CD1-CG 4.23Å; F807-L811 HydrophobicContact CD2-CG 4.35Å; F807-L811 HydrophobicContact CE1-CD1 3.35Å; F807-L811 HydrophobicContact CE1-CD2 4.39Å; F807-L811 HydrophobicContact CE1-CG 3.83Å; F807-L811 HydrophobicContact CE2-CD1 4.35Å; F807-L811 HydrophobicContact CE2-CD2 3.96Å; F807-L811 HydrophobicContact CE2-CG 3.93Å; F807-L811 HydrophobicContact CG-CG 4.49Å; F807-L811 HydrophobicContact CZ-CD1 3.58Å; F807-L811 HydrophobicContact CZ-CD2 3.75Å; F807-L811 HydrophobicContact CZ-CG 3.66Å; F807-L811 WeakPolarHBondContact O-CG 3.37Å; F807-L811 PolarHBondContact O-N 3.46Å; F807-L884 HydrophobicContact CD2-CD2 4.43Å; F807-L884 HydrophobicContact CE2-CD2 3.92Å; F807-V887 HydrophobicContact CE2-CG1 4.08Å
808R95.7Very high95.3Very high2 Ų229 Ų291%0.00814%0.14CC..Hα-helixtrans-59.1-40172.5-178.9177.166.4-102.3-0.8111.6E693 V697 L767 R804 D805 V806 L811 M812E693-R808 IonicContact OE1-NH1 2.76Å; V697-R808 HydrophobicContact CG2-CG 3.42Å; V697-R808 VanDerWaalsContact CG2-CG 3.42Å; L767-R808 VanDerWaalsContact CD2-CZ 3.42Å; L767-R808 VanDerWaalsContact CD2-NH2 3.31Å; R804-R808 WeakPolarHBondContact O-CB 3.49Å; R804-R808 PolarHBondContact O-N 2.93Å; D805-R808 IonicContact OD1-CZ 3.44Å; D805-R808 IonicContact OD1-NH1 3.08Å; D805-R808 PolarHBondContact OD1-NH1 3.42Å; D805-R808 IonicContact OD1-NH2 3.26Å; D805-R808 PolarHBondContact OD1-NH2 2.88Å; V806-R808 PolarHBondContact O-N 3.37Å; R808-L811 PolarHBondContact O-N 3.01Å; R808-M812 PolarHBondContact O-N 3.41Å
809S96.3Very high95.4Very high4 Ų426.2 Ų26.23%0.02813%0.134CC..Hα-helixtrans-61.2-46.8174.3-49.90000110.7R783 D805 V806 F807 M812 T813R783-S809 PolarHBondContact NH1-OG 2.87Å; D805-S809 PolarHBondContact O-N 3.07Å; D805-S809 VanDerWaalsContact O-N 3.12Å; D805-S809 PolarHBondContact O-OG 2.66Å; V806-S809 WeakPolarHBondContact O-CA 3.16Å; V806-S809 VanDerWaalsContact O-CB 3.26Å; V806-S809 WeakPolarHBondContact O-CB 3.29Å; V806-S809 PolarHBondContact O-N 3.25Å; V806-S809 VanDerWaalsContact O-N 3.11Å; F807-S809 VanDerWaalsContact C-N 3.27Å; F807-S809 PolarHBondContact O-N 2.9Å; S809-M812 WeakPolarHBondContact O-CB 3.49Å; S809-M812 PolarHBondContact O-N 3.15Å; S809-T813 PolarHBondContact O-N 2.86Å; S809-T813 VanDerWaalsContact O-N 3.1Å; S809-T813 PolarHBondContact O-OG1 3.38Å; S809-T813 VanDerWaalsContact O-OG1 3.11Å
810M97.1Very high95.6Very high1 Ų120.4 Ų20.41%0.00510%0.103CC..Hα-helixtrans-67.7-36179.2-62.1-68.2105.300113.4Y780 R783 R784 F787 V806 F807 M812 A814 L880Y780-M810 HydrophobicContact CD2-CE 3.72Å; Y780-M810 HydrophobicContact CD2-SD 3.9Å; Y780-M810 HydrophobicContact CE2-CE 4.45Å; Y780-M810 HydrophobicContact CE2-SD 4.05Å; R783-M810 HydrophobicContact CB-CE 3.99Å; R784-M810 HydrophobicContact CB-CE 4.46Å; R784-M810 HydrophobicContact CB-SD 4.1Å; F787-M810 HydrophobicContact CB-CG 3.91Å; F787-M810 HydrophobicContact CB-SD 4.17Å; F787-M810 HydrophobicContact CD1-CB 4.18Å; F787-M810 HydrophobicContact CD1-CG 3.58Å; F787-M810 HydrophobicContact CD1-SD 4Å; F787-M810 HydrophobicContact CD2-CG 4.11Å; F787-M810 HydrophobicContact CE1-CB 4.17Å; F787-M810 HydrophobicContact CE1-CG 4.07Å; F787-M810 HydrophobicContact CG-CB 4.47Å; F787-M810 HydrophobicContact CG-CG 3.59Å; F787-M810 HydrophobicContact CG-SD 4.27Å; F787-M810 HydrophobicContact CZ-CB 4.46Å; V806-M810 WeakPolarHBondContact O-CG 3.44Å; V806-M810 PolarHBondContact O-N 2.92Å; F807-M810 CarbonylContact O-C 3.25Å; F807-M810 PolarHBondContact O-N 2.81Å; F807-M810 VanDerWaalsContact O-N 3.14Å; M810-M812 VanDerWaalsContact C-N 3.34Å; M810-A814 WeakPolarHBondContact O-CB 3.42Å; M810-A814 PolarHBondContact O-N 3.09Å; M810-L880 HydrophobicContact CB-CD1 4.12Å; M810-L880 HydrophobicContact SD-CD1 4.18Å
811L96.7Very high95.7Very high1 Ų116.7 Ų16.71%0.0058%0.084CC..Hα-helixtrans-62.9-41.6172.2-78.5-175.1000111.4M676 M679 F685 L689 F807 R808 A814 C815 L884M676-L811 HydrophobicContact CE-CB 3.94Å; M676-L811 HydrophobicContact SD-CB 4.48Å; M679-L811 HydrophobicContact CE-CD2 3.41Å; M679-L811 VanDerWaalsContact CE-CD2 3.41Å; M679-L811 HydrophobicContact SD-CD2 4.33Å; F685-L811 HydrophobicContact CD2-CD1 4.5Å; F685-L811 HydrophobicContact CD2-CD2 4.29Å; F685-L811 HydrophobicContact CE2-CD2 4.12Å; L689-L811 HydrophobicContact CD1-CD1 4.31Å; F807-L811 HydrophobicContact CD1-CD1 3.95Å; F807-L811 HydrophobicContact CD1-CG 4.23Å; F807-L811 HydrophobicContact CD2-CG 4.35Å; F807-L811 HydrophobicContact CE1-CD1 3.35Å; F807-L811 HydrophobicContact CE1-CD2 4.39Å; F807-L811 HydrophobicContact CE1-CG 3.83Å; F807-L811 HydrophobicContact CE2-CD1 4.35Å; F807-L811 HydrophobicContact CE2-CD2 3.96Å; F807-L811 HydrophobicContact CE2-CG 3.93Å; F807-L811 HydrophobicContact CG-CG 4.49Å; F807-L811 HydrophobicContact CZ-CD1 3.58Å; F807-L811 HydrophobicContact CZ-CD2 3.75Å; F807-L811 HydrophobicContact CZ-CG 3.66Å; F807-L811 WeakPolarHBondContact O-CG 3.37Å; F807-L811 PolarHBondContact O-N 3.46Å; R808-L811 PolarHBondContact O-N 3.01Å; L811-A814 PolarHBondContact O-N 3.19Å; L811-C815 PolarHBondContact O-N 3.27Å; L811-C815 PolarHBondContact O-SG 3.42Å; L811-L884 HydrophobicContact CD2-CD2 4.13Å
812M97.9Very high95.9Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-61.5-52.4177.2-172.869.9-102.400110.6V672 C701 S771 A774 T775 R808 S809 M810 A814 C815 D816V672-M812 HydrophobicContact CG1-CE 3.34Å; C701-M812 HydrophobicContact CB-CE 4.37Å; S771-M812 WeakPolarHBondContact O-CG 3.4Å; A774-M812 HydrophobicContact CB-CB 4.38Å; T775-M812 HydrophobicContact CG2-CE 4.16Å; T775-M812 HydrophobicContact CG2-CG 3.69Å; T775-M812 HydrophobicContact CG2-SD 4.38Å; R808-M812 PolarHBondContact O-N 3.41Å; S809-M812 WeakPolarHBondContact O-CB 3.49Å; S809-M812 PolarHBondContact O-N 3.15Å; M810-M812 VanDerWaalsContact C-N 3.34Å; M812-A814 VanDerWaalsContact C-N 3.27Å; M812-A814 PolarHBondContact O-N 3.49Å; M812-C815 PolarHBondContact O-N 2.91Å; M812-C815 VanDerWaalsContact O-N 3.1Å; M812-D816 WeakPolarHBondContact O-CB 3.26Å; M812-D816 PolarHBondContact O-N 3.01Å
813T97.7Very high96Very high1 Ų110.6 Ų10.61%0.0066%0.059CC..Hα-helixtrans-59.3-37175.3-41.50000112A774 L777 Y780 S809 C815 L817 L880A774-T813 PolarHBondContact O-OG1 3.14Å; A774-T813 VanDerWaalsContact O-OG1 3.08Å; L777-T813 HydrophobicContact CD2-CG2 4.23Å; Y780-T813 HydrophobicContact CD2-CG2 3.81Å; Y780-T813 HydrophobicContact CE2-CG2 4.46Å; Y780-T813 HydrophobicContact CG-CG2 3.99Å; S809-T813 PolarHBondContact O-N 2.86Å; S809-T813 VanDerWaalsContact O-N 3.1Å; S809-T813 PolarHBondContact O-OG1 3.38Å; S809-T813 VanDerWaalsContact O-OG1 3.11Å; T813-C815 VanDerWaalsContact C-N 3.33Å; T813-C815 PolarHBondContact O-N 3.32Å; T813-L817 HydrophobicContact CG2-CD1 4.13Å; T813-L817 HydrophobicContact CG2-CG 4.31Å; T813-L817 WeakPolarHBondContact O-CB 3.04Å; T813-L817 VanDerWaalsContact O-CG 3.28Å; T813-L817 WeakPolarHBondContact O-CG 3.04Å; T813-L817 PolarHBondContact O-N 3.02Å; T813-L880 HydrophobicContact CG2-CD2 4.29Å
814A97.4Very high96.1Very high0 Ų011.8 Ų11.80%06%0.063CC..Hα-helixtrans-71-25.217800000113.8M810 L811 M812 L880 Y881 L884M810-A814 WeakPolarHBondContact O-CB 3.42Å; M810-A814 PolarHBondContact O-N 3.09Å; L811-A814 PolarHBondContact O-N 3.19Å; M812-A814 VanDerWaalsContact C-N 3.27Å; M812-A814 PolarHBondContact O-N 3.49Å; A814-L880 HydrophobicContact CB-CD2 3.94Å; A814-L880 HydrophobicContact CB-CG 4.26Å; A814-Y881 HydrophobicContact CB-CE1 3.96Å; A814-Y881 PolarHBondContact O-OH 2.97Å; A814-L884 HydrophobicContact CB-CD1 3.46Å; A814-L884 VanDerWaalsContact CB-CD1 3.46Å
815C97.8Very high96.1Very high1 Ų114.6 Ų14.61%0.0078%0.078CC..Hα-helixtrans-83.5-40.7174.4-65.30000111.5V672 M676 L811 M812 T813 G818V672-C815 HydrophobicContact CG1-CB 3.91Å; M676-C815 VanDerWaalsContact CA-SG 3.54Å; M676-C815 HydrophobicContact CB-CB 4.35Å; M676-C815 HydrophobicContact CE-CB 4.26Å; L811-C815 PolarHBondContact O-N 3.27Å; L811-C815 PolarHBondContact O-SG 3.42Å; M812-C815 PolarHBondContact O-N 2.91Å; M812-C815 VanDerWaalsContact O-N 3.1Å; T813-C815 VanDerWaalsContact C-N 3.33Å; T813-C815 PolarHBondContact O-N 3.32Å; C815-G818 WeakPolarHBondContact O-CA 3.32Å; C815-G818 PolarHBondContact O-N 3.42Å
816D98.1Very high96.1Very high19 Ų1914.4 Ų14.410%0.1028%0.076CC..Hα-helixtrans-55.9-49.7172.9179.317.5000111.5H668 H704 T775 M812 G818H668-D816 VanDerWaalsContact CE1-CA 3.49Å; H668-D816 WeakPolarHBondContact CE1-CA 3.37Å; H668-D816 PolarHBondContact CE1-O 2.85Å; H668-D816 IonicContact CE1-OD1 3.7Å; H668-D816 PolarHBondContact CE1-OD1 3.28Å; H668-D816 IonicContact NE2-OD1 2.73Å; H668-D816 PolarHBondContact NE2-OD1 3.35Å; H704-D816 IonicContact NE2-OD1 2.76Å; T775-D816 HydrophobicContact CG2-CB 4.39Å; M812-D816 WeakPolarHBondContact O-CB 3.26Å; M812-D816 PolarHBondContact O-N 3.01Å; D816-G818 PolarHBondContact O-N 2.89Å; D816-G818 VanDerWaalsContact O-N 3.11Å
817L96.4Very high96.1Very high23 Ų2314.6 Ų14.612%0.128%0.078CC..G310 helixtrans-77.710.6174.8-55.9-171.4000113.9L777 T813 A819 V820 W872 I876 Y881L777-L817 HydrophobicContact CD2-CD1 4.34Å; T813-L817 HydrophobicContact CG2-CD1 4.13Å; T813-L817 HydrophobicContact CG2-CG 4.31Å; T813-L817 WeakPolarHBondContact O-CB 3.04Å; T813-L817 VanDerWaalsContact O-CG 3.28Å; T813-L817 WeakPolarHBondContact O-CG 3.04Å; T813-L817 PolarHBondContact O-N 3.02Å; L817-A819 VanDerWaalsContact C-N 3.25Å; L817-A819 PolarHBondContact O-N 3.33Å; L817-A819 VanDerWaalsContact O-N 3.15Å; L817-V820 WeakPolarHBondContact O-CG1 3.41Å; L817-V820 PolarHBondContact O-N 3.36Å; L817-W872 HydrophobicContact CD1-CH2 4.36Å; L817-W872 HydrophobicContact CD1-CZ2 3.83Å; L817-W872 HydrophobicContact CD2-CH2 4.24Å; L817-W872 HydrophobicContact CD2-CZ2 3.67Å; L817-W872 HydrophobicContact CG-CZ2 4.35Å; L817-I876 HydrophobicContact CD1-CG2 3.7Å; L817-Y881 PolarHBondContact O-OH 3.37Å
818G95.2Very high96.1Very high0 Ų017.6 Ų17.60%09%0.089CC..G310 helixtrans-60.6-25.3-169.200000115.6L675 C815 D816 V820 T821L675-G818 VanDerWaalsContact CD2-CA 3.41Å; C815-G818 WeakPolarHBondContact O-CA 3.32Å; C815-G818 PolarHBondContact O-N 3.42Å; D816-G818 PolarHBondContact O-N 2.89Å; D816-G818 VanDerWaalsContact O-N 3.11Å; G818-V820 PolarHBondContact O-N 2.88Å; G818-T821 PolarHBondContact O-N 3.4Å; G818-T821 PolarHBondContact O-OG1 2.99Å
819A94.2Very high96Very high18 Ų1821.3 Ų21.315%0.14911%0.106CC..G310 helixtrans-56.1-26.6177.900000113.9L817 T821 K822 S827 V830L817-A819 VanDerWaalsContact C-N 3.25Å; L817-A819 PolarHBondContact O-N 3.33Å; L817-A819 VanDerWaalsContact O-N 3.15Å; A819-T821 VanDerWaalsContact C-N 3.26Å; A819-T821 PolarHBondContact O-N 2.9Å; A819-K822 PolarHBondContact O-N 3.49Å; A819-S827 WeakPolarHBondContact O-CB 3.38Å; A819-S827 PolarHBondContact O-OG 3.39Å; A819-V830 HydrophobicContact CB-CB 4.06Å; A819-V830 HydrophobicContact CB-CG1 3.48Å; A819-V830 VanDerWaalsContact CB-CG1 3.48Å; A819-V830 HydrophobicContact CB-CG2 4.4Å
820V95.3Very high96Very high14 Ų1421.7 Ų21.79%0.08511%0.108CC..G310 helixtrans-70.8-19.8176.875.80000113.2L817 G818 I873 C877 Y881 V898 N901L817-V820 WeakPolarHBondContact O-CG1 3.41Å; L817-V820 PolarHBondContact O-N 3.36Å; G818-V820 PolarHBondContact O-N 2.88Å; V820-I873 HydrophobicContact CG2-CD1 4.23Å; V820-I873 HydrophobicContact CG2-CG1 3.82Å; V820-C877 HydrophobicContact CG1-CB 3.99Å; V820-C877 HydrophobicContact CG2-CB 4.31Å; V820-Y881 HydrophobicContact CG1-CE2 3.53Å; V820-V898 HydrophobicContact CG1-CG2 3.98Å; V820-V898 HydrophobicContact CG2-CG1 4.38Å; V820-V898 HydrophobicContact CG2-CG2 4.43Å; V820-N901 PolarHBondContact O-ND2 3.26Å
821T95.8Very high95.8Very high0 Ų022.1 Ų22.10%011%0.112CC..G310 helixtrans-97.5-2.9-179.985.70000113.2G818 A819 Y881 M894 S897 V898G818-T821 PolarHBondContact O-N 3.4Å; G818-T821 PolarHBondContact O-OG1 2.99Å; A819-T821 VanDerWaalsContact C-N 3.26Å; A819-T821 PolarHBondContact O-N 2.9Å; T821-Y881 HydrophobicContact CG2-CD1 4.24Å; T821-Y881 HydrophobicContact CG2-CD2 4.21Å; T821-Y881 HydrophobicContact CG2-CE1 3.65Å; T821-Y881 HydrophobicContact CG2-CE2 3.63Å; T821-Y881 HydrophobicContact CG2-CG 4.49Å; T821-Y881 WeakPolarHBondContact CG2-OH 3.38Å; T821-M894 HydrophobicContact CG2-CB 4.15Å; T821-M894 HydrophobicContact CG2-CE 3.89Å; T821-S897 WeakPolarHBondContact O-CB 3.32Å; T821-V898 HydrophobicContact CG2-CG2 3.72Å
822K95.4Very high95.7Very high0 Ų026.3 Ų26.30%013%0.132CC..SBendtrans-78.8159.2177.2-61.5-63.9-175.8169.40110.9I611 F613 N671 A819 I826 N901I611-K822 PolarHBondContact O-NZ 3.15Å; F613-K822 PolarHBondContact O-NZ 3.21Å; N671-K822 WeakPolarHBondContact OD1-CE 3.45Å; A819-K822 PolarHBondContact O-N 3.49Å; K822-I826 HydrophobicContact CB-CB 4.21Å; K822-I826 HydrophobicContact CB-CG2 3.86Å; K822-I826 HydrophobicContact CG-CG2 4.31Å; K822-N901 PolarHBondContact O-ND2 2.92Å
823P95.9Very high95.6Very high52 Ų5229.1 Ų29.134%0.33815%0.146SC..  trans-51.1148.9174.3-28.135.1000113.4H612 E825 I826 S827H612-P823 HydrophobicContact CB-CG 4.21Å; P823-E825 VanDerWaalsContact C-N 3.33Å; P823-E825 PolarHBondContact O-N 2.86Å; P823-E825 VanDerWaalsContact O-N 3.13Å; P823-I826 HydrophobicContact CB-CD1 4.34Å; P823-I826 HydrophobicContact CG-CD1 4.22Å; P823-I826 PolarHBondContact O-N 3.15Å; P823-S827 PolarHBondContact O-N 3.07Å
824W95.6Very high95.5Very high47 Ų4730.3 Ų30.318%0.17815%0.154CC..Hα-helixtrans-49.7-43.6-169.9169.9-110.6000115.2I826 S827 R828 N901 K904 W905 L908W824-I826 PolarHBondContact O-N 3.47Å; W824-S827 PolarHBondContact O-N 2.95Å; W824-R828 HydrophobicContact CH2-CB 4.47Å; W824-R828 HydrophobicContact CH2-CG 4.48Å; W824-R828 HydrophobicContact CZ2-CB 4.29Å; W824-R828 HydrophobicContact CZ2-CG 4.24Å; W824-R828 VanDerWaalsContact O-CB 3.25Å; W824-R828 WeakPolarHBondContact O-CB 3.37Å; W824-R828 PolarHBondContact O-N 3.47Å; W824-N901 VanDerWaalsContact CA-OD1 3.3Å; W824-N901 WeakPolarHBondContact CA-OD1 3.42Å; W824-N901 HydrophobicContact CE3-CB 4.42Å; W824-K904 HydrophobicContact CD2-CB 3.66Å; W824-K904 HydrophobicContact CD2-CG 3.87Å; W824-K904 HydrophobicContact CE3-CB 3.45Å; W824-K904 VanDerWaalsContact CE3-CB 3.45Å; W824-K904 HydrophobicContact CE3-CG 4.06Å; W824-K904 HydrophobicContact CG-CB 4.46Å; W824-K904 HydrophobicContact CG-CG 4.17Å; W824-K904 HydrophobicContact CH2-CB 3.72Å; W824-K904 HydrophobicContact CZ2-CB 3.9Å; W824-K904 HydrophobicContact CZ3-CB 3.47Å; W824-K904 VanDerWaalsContact CZ3-CB 3.47Å; W824-W905 AromaticContact CH2-CD2 3.98Å; W824-W905 HydrophobicContact CH2-CD2 3.98Å; W824-W905 AromaticContact CH2-CE2 3.92Å; W824-W905 HydrophobicContact CH2-CE3 4.32Å; W824-W905 HydrophobicContact CH2-CG 4.37Å; W824-W905 HydrophobicContact CH2-CZ2 4.21Å; W824-W905 AromaticContact CZ3-CD1 3.88Å; W824-W905 HydrophobicContact CZ3-CD2 4.09Å; W824-W905 AromaticContact CZ3-CE2 3.79Å; W824-W905 HydrophobicContact CZ3-CG 4.15Å; W824-W905 HydrophobicContact CZ3-CZ2 4.31Å; W824-W905 AromaticContact CZ3-NE1 3.66Å; W824-L908 HydrophobicContact CH2-CD1 3.75Å; W824-L908 HydrophobicContact CZ2-CD1 3.87Å
825E95Very high95.4Very high99 Ų9930.6 Ų30.646%0.46316%0.155SC..Hα-helixtrans-64.5-39.5-178.7-63.9-58.2126.300112.3P823 R828 Q829P823-E825 VanDerWaalsContact C-N 3.33Å; P823-E825 PolarHBondContact O-N 2.86Å; P823-E825 VanDerWaalsContact O-N 3.13Å; E825-R828 IonicContact OE1-CZ 3.14Å; E825-R828 IonicContact OE1-NH1 2.7Å; E825-R828 PolarHBondContact OE1-NH1 3.12Å; E825-R828 IonicContact OE2-CZ 2.89Å; E825-R828 IonicContact OE2-NH1 3.2Å; E825-R828 PolarHBondContact OE2-NH1 3.5Å; E825-R828 IonicContact OE2-NH2 2.82Å; E825-R828 PolarHBondContact OE2-NH2 2.94Å; E825-Q829 VanDerWaalsContact O-CG 3.3Å; E825-Q829 WeakPolarHBondContact O-CG 3.41Å; E825-Q829 PolarHBondContact O-N 3.04Å
826I94.7Very high95.3Very high17 Ų1732.9 Ų32.99%0.08717%0.171CC..Hα-helixtrans-70.8-49.3176.4-61.9162.2000109.4D614 F616 K822 P823 W824 R828 Q829 V830D614-I826 HydrophobicContact CB-CD1 3.61Å; F616-I826 HydrophobicContact CD2-CG2 4.18Å; F616-I826 HydrophobicContact CE2-CG2 3.99Å; K822-I826 HydrophobicContact CB-CB 4.21Å; K822-I826 HydrophobicContact CB-CG2 3.86Å; K822-I826 HydrophobicContact CG-CG2 4.31Å; P823-I826 HydrophobicContact CB-CD1 4.34Å; P823-I826 HydrophobicContact CG-CD1 4.22Å; P823-I826 PolarHBondContact O-N 3.15Å; W824-I826 PolarHBondContact O-N 3.47Å; I826-R828 VanDerWaalsContact C-N 3.3Å; I826-R828 PolarHBondContact O-N 2.98Å; I826-Q829 PolarHBondContact O-N 3.4Å; I826-V830 WeakPolarHBondContact O-CG2 3.46Å; I826-V830 PolarHBondContact O-N 3.11Å
827S95.1Very high95.2Very high7 Ų732.1 Ų32.15%0.04917%0.167CC..Hα-helixtrans-60.3-38.5-179.5-160.10000112.2A819 P823 W824 A831 N901A819-S827 WeakPolarHBondContact O-CB 3.38Å; A819-S827 PolarHBondContact O-OG 3.39Å; P823-S827 PolarHBondContact O-N 3.07Å; W824-S827 PolarHBondContact O-N 2.95Å; S827-A831 WeakPolarHBondContact O-CB 3.48Å; S827-A831 PolarHBondContact O-N 2.8Å; S827-N901 PolarHBondContact OG-ND2 2.82Å
828R94.8Very high95.2Very high64 Ų6433.3 Ų33.324%0.24217%0.172CC..Hα-helixtrans-65.5-47.7174.2-171.4-173.571.9-119.3-3111.9W824 E825 I826 V830 A831 E832W824-R828 HydrophobicContact CH2-CB 4.47Å; W824-R828 HydrophobicContact CH2-CG 4.48Å; W824-R828 HydrophobicContact CZ2-CB 4.29Å; W824-R828 HydrophobicContact CZ2-CG 4.24Å; W824-R828 VanDerWaalsContact O-CB 3.25Å; W824-R828 WeakPolarHBondContact O-CB 3.37Å; W824-R828 PolarHBondContact O-N 3.47Å; E825-R828 IonicContact OE1-CZ 3.14Å; E825-R828 IonicContact OE1-NH1 2.7Å; E825-R828 PolarHBondContact OE1-NH1 3.12Å; E825-R828 IonicContact OE2-CZ 2.89Å; E825-R828 IonicContact OE2-NH1 3.2Å; E825-R828 PolarHBondContact OE2-NH1 3.5Å; E825-R828 IonicContact OE2-NH2 2.82Å; E825-R828 PolarHBondContact OE2-NH2 2.94Å; I826-R828 VanDerWaalsContact C-N 3.3Å; I826-R828 PolarHBondContact O-N 2.98Å; R828-V830 VanDerWaalsContact C-N 3.32Å; R828-V830 PolarHBondContact O-N 3.08Å; R828-A831 PolarHBondContact O-N 3.29Å; R828-E832 IonicContact NE-OE1 2.75Å; R828-E832 WeakPolarHBondContact O-CG 3.39Å; R828-E832 PolarHBondContact O-N 3.14Å
829Q94.8Very high95.3Very high79 Ų7934.1 Ų34.137%0.36918%0.175SC..Hα-helixtrans-59.9-43.4177.9-74.817718.100111.6F616 E825 I826 E832 L833F616-Q829 HydrophobicContact CE2-CB 4.25Å; F616-Q829 HydrophobicContact CZ-CB 4.26Å; E825-Q829 VanDerWaalsContact O-CG 3.3Å; E825-Q829 WeakPolarHBondContact O-CG 3.41Å; E825-Q829 PolarHBondContact O-N 3.04Å; I826-Q829 PolarHBondContact O-N 3.4Å; Q829-E832 WeakPolarHBondContact O-CB 3.37Å; Q829-E832 PolarHBondContact O-N 3.45Å; Q829-L833 WeakPolarHBondContact O-CG 3.23Å; Q829-L833 PolarHBondContact O-N 3.22Å
830V94.8Very high95.4Very high12 Ų1238 Ų387%0.07319%0.19CC..Hα-helixtrans-63.9-44.4175.9175.30000111.5F616 Y663 A819 I826 R828 E832 L833 V834F616-V830 HydrophobicContact CE2-CG2 4.1Å; F616-V830 HydrophobicContact CZ-CG2 4.12Å; Y663-V830 HydrophobicContact CD2-CG1 3.97Å; Y663-V830 HydrophobicContact CE2-CG1 3.36Å; A819-V830 HydrophobicContact CB-CB 4.06Å; A819-V830 HydrophobicContact CB-CG1 3.48Å; A819-V830 VanDerWaalsContact CB-CG1 3.48Å; A819-V830 HydrophobicContact CB-CG2 4.4Å; I826-V830 WeakPolarHBondContact O-CG2 3.46Å; I826-V830 PolarHBondContact O-N 3.11Å; R828-V830 VanDerWaalsContact C-N 3.32Å; R828-V830 PolarHBondContact O-N 3.08Å; V830-E832 VanDerWaalsContact C-N 3.25Å; V830-E832 PolarHBondContact O-N 3Å; V830-L833 WeakPolarHBondContact O-CB 3.43Å; V830-L833 PolarHBondContact O-N 3.42Å; V830-L833 VanDerWaalsContact O-N 3.09Å; V830-V834 HydrophobicContact CG1-CG2 4.23Å; V830-V834 WeakPolarHBondContact O-CG2 3.33Å; V830-V834 PolarHBondContact O-N 3.43Å
831A94.3Very high95.4Very high10 Ų1037.5 Ų37.58%0.08319%0.187CC..Hα-helixtrans-60.1-34.8175.600000112.7S827 R828 T835 W905S827-A831 WeakPolarHBondContact O-CB 3.48Å; S827-A831 PolarHBondContact O-N 2.8Å; R828-A831 PolarHBondContact O-N 3.29Å; A831-T835 VanDerWaalsContact O-CB 3.26Å; A831-T835 WeakPolarHBondContact O-CB 3.29Å; A831-T835 PolarHBondContact O-N 3.02Å; A831-T835 PolarHBondContact O-OG1 2.89Å; A831-W905 HydrophobicContact CB-CH2 4.34Å; A831-W905 HydrophobicContact CB-CZ2 3.8Å
832E94.1Very high95.4Very high90 Ų9037.5 Ų37.542%0.42119%0.187SC..Hα-helixtrans-66.8-39.1173.4-73.2172-165.700112.3R828 Q829 V830 S836R828-E832 IonicContact NE-OE1 2.75Å; R828-E832 WeakPolarHBondContact O-CG 3.39Å; R828-E832 PolarHBondContact O-N 3.14Å; Q829-E832 WeakPolarHBondContact O-CB 3.37Å; Q829-E832 PolarHBondContact O-N 3.45Å; V830-E832 VanDerWaalsContact C-N 3.25Å; V830-E832 PolarHBondContact O-N 3Å; E832-S836 WeakPolarHBondContact O-CB 3.31Å; E832-S836 PolarHBondContact O-N 3.43Å; E832-S836 PolarHBondContact O-OG 3.39Å
833L95.8Very high95.4Very high58 Ų5839.7 Ų39.730%0.30420%0.198SC..Hα-helixtrans-65.6-50.7174.5-68.1172.7000112F616 Q829 V830 T835 S836 E837F616-L833 HydrophobicContact CZ-CD1 4.36Å; Q829-L833 WeakPolarHBondContact O-CG 3.23Å; Q829-L833 PolarHBondContact O-N 3.22Å; V830-L833 WeakPolarHBondContact O-CB 3.43Å; V830-L833 PolarHBondContact O-N 3.42Å; V830-L833 VanDerWaalsContact O-N 3.09Å; L833-T835 VanDerWaalsContact C-N 3.32Å; L833-T835 PolarHBondContact O-N 3.04Å; L833-S836 PolarHBondContact O-N 3.01Å; L833-S836 VanDerWaalsContact O-N 3.15Å; L833-E837 PolarHBondContact O-N 3.39Å
834V95.5Very high95.3Very high27 Ų2741.2 Ų41.216%0.16420%0.198CC..Hα-helixtrans-55-48.5176.2174.50000110.7Y663 V830 S836 E837 F838Y663-V834 HydrophobicContact CD1-CG2 3.64Å; Y663-V834 HydrophobicContact CD2-CG2 3.52Å; Y663-V834 HydrophobicContact CE1-CG2 3.78Å; Y663-V834 HydrophobicContact CE2-CG2 3.67Å; Y663-V834 HydrophobicContact CG-CB 4.45Å; Y663-V834 HydrophobicContact CG-CG2 3.49Å; Y663-V834 VanDerWaalsContact CG-CG2 3.49Å; V830-V834 HydrophobicContact CG1-CG2 4.23Å; V830-V834 WeakPolarHBondContact O-CG2 3.33Å; V830-V834 PolarHBondContact O-N 3.43Å; V834-S836 VanDerWaalsContact C-N 3.31Å; V834-S836 PolarHBondContact O-N 3.14Å; V834-E837 PolarHBondContact O-N 2.85Å; V834-F838 HydrophobicContact CG1-CD2 4.07Å; V834-F838 HydrophobicContact CG1-CE2 3.61Å; V834-F838 HydrophobicContact CG1-CZ 3.87Å; V834-F838 PolarHBondContact O-N 3.14Å
835T94.8Very high95.3Very high5 Ų539.2 Ų39.23%0.03119%0.19CC..Hα-helixtrans-64.3-38-179.6-55.50000111.6A831 L833 F838 F839 L865A831-T835 VanDerWaalsContact O-CB 3.26Å; A831-T835 WeakPolarHBondContact O-CB 3.29Å; A831-T835 PolarHBondContact O-N 3.02Å; A831-T835 PolarHBondContact O-OG1 2.89Å; L833-T835 VanDerWaalsContact C-N 3.32Å; L833-T835 PolarHBondContact O-N 3.04Å; T835-F838 PolarHBondContact O-N 2.81Å; T835-F839 HydrophobicContact CG2-CD1 4.32Å; T835-F839 HydrophobicContact CG2-CD2 4.16Å; T835-F839 HydrophobicContact CG2-CE1 3.76Å; T835-F839 HydrophobicContact CG2-CE2 3.57Å; T835-F839 HydrophobicContact CG2-CZ 3.35Å; T835-F839 WeakPolarHBondContact O-CD1 3.32Å; T835-F839 WeakPolarHBondContact O-CG 3.28Å; T835-F839 PolarHBondContact O-N 3.35Å; T835-L865 HydrophobicContact CG2-CD1 3.9Å; T835-L865 HydrophobicContact CG2-CD2 4.03Å; T835-L865 WeakPolarHBondContact OG1-CD1 3.23Å
836S95.8Very high95.2Very high49 Ų4938.8 Ų38.834%0.34318%0.184SC..Hα-helixtrans-65.9-38.9177.5-59.10000111.5E832 L833 V834 F839 E840E832-S836 WeakPolarHBondContact O-CB 3.31Å; E832-S836 PolarHBondContact O-N 3.43Å; E832-S836 PolarHBondContact O-OG 3.39Å; L833-S836 PolarHBondContact O-N 3.01Å; L833-S836 VanDerWaalsContact O-N 3.15Å; V834-S836 VanDerWaalsContact C-N 3.31Å; V834-S836 PolarHBondContact O-N 3.14Å; S836-F839 PolarHBondContact O-N 2.95Å; S836-E840 PolarHBondContact O-N 3.48Å
837E97Very high95.2Very high4 Ų443.5 Ų43.52%0.01921%0.209CC..Hα-helixtrans-66.3-41.4174.6-152.5-177.598.300112L662 Y663 H664 H708 G710 L833 V834 F839 E840 Q841L662-E837 HydrophobicContact CB-CB 4.15Å; L662-E837 HydrophobicContact CB-CG 4.32Å; L662-E837 PolarHBondContact N-OE2 3.27Å; Y663-E837 PolarHBondContact N-OE2 2.69Å; H664-E837 IonicContact CE1-OE1 2.7Å; H664-E837 PolarHBondContact CE1-OE1 3.09Å; H664-E837 IonicContact CG-OE1 3.18Å; H664-E837 PolarHBondContact N-OE2 3.36Å; H664-E837 IonicContact ND1-OE1 3.85Å; H664-E837 PolarHBondContact ND1-OE1 3.32Å; H664-E837 IonicContact ND1-OE2 2.66Å; H708-E837 IonicContact CE1-OE1 4Å; G710-E837 WeakPolarHBondContact CA-OE1 3.39Å; L833-E837 PolarHBondContact O-N 3.39Å; V834-E837 PolarHBondContact O-N 2.85Å; E837-F839 VanDerWaalsContact C-N 3.28Å; E837-F839 PolarHBondContact O-N 2.78Å; E837-E840 WeakPolarHBondContact O-CB 3.43Å; E837-E840 PolarHBondContact O-N 3.35Å; E837-E840 VanDerWaalsContact O-N 3.1Å; E837-Q841 PolarHBondContact O-N 3.14Å
838F96.3Very high95.1Very high48 Ų4848.1 Ų48.121%0.21123%0.23CC..Hα-helixtrans-61.8-35.1171.7-69-19.2000112.6V834 T835 E840 Q841 G842 I856 F857V834-F838 HydrophobicContact CG1-CD2 4.07Å; V834-F838 HydrophobicContact CG1-CE2 3.61Å; V834-F838 HydrophobicContact CG1-CZ 3.87Å; V834-F838 PolarHBondContact O-N 3.14Å; T835-F838 PolarHBondContact O-N 2.81Å; F838-E840 VanDerWaalsContact C-N 3.34Å; F838-Q841 PolarHBondContact O-N 2.78Å; F838-G842 PolarHBondContact O-N 3.09Å; F838-I856 HydrophobicContact CD2-CD1 4.18Å; F838-I856 HydrophobicContact CD2-CG1 3.93Å; F838-I856 HydrophobicContact CE2-CD1 4.04Å; F838-I856 HydrophobicContact CE2-CG1 4.31Å; F838-F857 HydrophobicContact CB-CD1 3.65Å; F838-F857 HydrophobicContact CB-CE1 4Å; F838-F857 HydrophobicContact CB-CG 4.48Å; F838-F857 HydrophobicContact CD1-CD1 4.19Å; F838-F857 AromaticContact CD1-CE1 3.64Å; F838-F857 HydrophobicContact CD1-CE1 3.64Å; F838-F857 HydrophobicContact CE1-CE1 4.25Å; F838-F857 HydrophobicContact CG-CD1 4.03Å; F838-F857 AromaticContact CG-CE1 3.83Å; F838-F857 HydrophobicContact CG-CE1 3.83Å; F838-F857 WeakPolarHBondContact O-CD1 3.49Å
839F96.1Very high94.9Very high16 Ų1647.4 Ų47.47%0.0723%0.231CC..Hα-helixtrans-70.4-27.4173.3-66.7-14.1000113.3T835 S836 E837 D843 R859 K862T835-F839 HydrophobicContact CG2-CD1 4.32Å; T835-F839 HydrophobicContact CG2-CD2 4.16Å; T835-F839 HydrophobicContact CG2-CE1 3.76Å; T835-F839 HydrophobicContact CG2-CE2 3.57Å; T835-F839 HydrophobicContact CG2-CZ 3.35Å; T835-F839 WeakPolarHBondContact O-CD1 3.32Å; T835-F839 WeakPolarHBondContact O-CG 3.28Å; T835-F839 PolarHBondContact O-N 3.35Å; S836-F839 PolarHBondContact O-N 2.95Å; E837-F839 VanDerWaalsContact C-N 3.28Å; E837-F839 PolarHBondContact O-N 2.78Å; F839-D843 PolarHBondContact O-N 2.95Å; F839-D843 VanDerWaalsContact O-N 3.17Å; F839-R859 HydrophobicContact CB-CB 4.08Å; F839-R859 HydrophobicContact CD1-CB 4.21Å; F839-R859 HydrophobicContact CD2-CB 3.7Å; F839-R859 HydrophobicContact CE2-CB 4.11Å; F839-R859 HydrophobicContact CG-CB 3.75Å; F839-R859 PolarHBondContact O-NH2 2.88Å; F839-K862 HydrophobicContact CE2-CB 4.1Å; F839-K862 HydrophobicContact CE2-CD 4.13Å; F839-K862 HydrophobicContact CE2-CG 4.08Å; F839-K862 HydrophobicContact CZ-CB 3.95Å; F839-K862 HydrophobicContact CZ-CG 4.18Å
840E96Very high94.8Very high100 Ų10051.4 Ų51.447%0.46725%0.247SC..Hα-helixtrans-71.4-43.6169.2-70-173.7167.400111.3L662 S836 E837 F838 G842 D843 R844L662-E840 HydrophobicContact CD1-CG 4.4Å; S836-E840 PolarHBondContact O-N 3.48Å; E837-E840 WeakPolarHBondContact O-CB 3.43Å; E837-E840 PolarHBondContact O-N 3.35Å; E837-E840 VanDerWaalsContact O-N 3.1Å; F838-E840 VanDerWaalsContact C-N 3.34Å; E840-G842 PolarHBondContact O-N 3.41Å; E840-D843 PolarHBondContact O-N 3.24Å; E840-R844 WeakPolarHBondContact O-CG 3.47Å; E840-R844 PolarHBondContact O-N 3.37Å; E840-R844 VanDerWaalsContact O-N 3.12Å
841Q96.1Very high94.7Very high3 Ų354.2 Ų54.21%0.01426%0.261CS..Hα-helixtrans-58.8-45.3172177.3177.8-36.600111.5T711 N712 F715 E837 F838 D843 R844 E845 F857T711-Q841 VanDerWaalsContact CA-OE1 3.29Å; T711-Q841 HydrophobicContact CG2-CB 4.48Å; T711-Q841 HydrophobicContact CG2-CG 4.31Å; N712-Q841 PolarHBondContact ND2-NE2 3.04Å; N712-Q841 PolarHBondContact OD1-NE2 3.12Å; F715-Q841 HydrophobicContact CB-CG 4.48Å; F715-Q841 HydrophobicContact CD2-CG 3.89Å; F715-Q841 HydrophobicContact CG-CG 4.41Å; E837-Q841 PolarHBondContact O-N 3.14Å; F838-Q841 PolarHBondContact O-N 2.78Å; Q841-D843 PolarHBondContact O-N 3.44Å; Q841-R844 CarbonylContact O-C 3.55Å; Q841-R844 WeakPolarHBondContact O-CB 3.08Å; Q841-R844 PolarHBondContact O-N 3.26Å; Q841-R844 VanDerWaalsContact O-N 3.14Å; Q841-E845 HydrophobicContact CG-CG 4.36Å; Q841-E845 PolarHBondContact NE2-OE1 3.32Å; Q841-E845 PolarHBondContact O-N 3.37Å; Q841-F857 HydrophobicContact CB-CD1 4.25Å; Q841-F857 HydrophobicContact CG-CD1 4.3Å; Q841-F857 HydrophobicContact CG-CE1 4.49Å
842G95.9Very high94.5Very high0 Ų059.8 Ų59.80%029%0.294CS..Hα-helixtrans-64.1-39-178.700000113.4F838 E840 R844 E845 R846 P853 F857F838-G842 PolarHBondContact O-N 3.09Å; E840-G842 PolarHBondContact O-N 3.41Å; G842-R844 VanDerWaalsContact C-N 3.3Å; G842-R844 PolarHBondContact O-N 3.03Å; G842-E845 PolarHBondContact O-N 3.14Å; G842-R846 WeakPolarHBondContact O-CB 3.3Å; G842-R846 PolarHBondContact O-N 3.24Å; G842-P853 WeakPolarHBondContact O-CG 3.33Å; G842-F857 WeakPolarHBondContact CA-O 3.42Å
843D95.2Very high94.4Very high46 Ų4655.8 Ų55.825%0.24628%0.276CS..Hα-helixtrans-61.3-41.3172-8020.1000111F839 E840 Q841 R846 L847 R859F839-D843 PolarHBondContact O-N 2.95Å; F839-D843 VanDerWaalsContact O-N 3.17Å; E840-D843 PolarHBondContact O-N 3.24Å; Q841-D843 PolarHBondContact O-N 3.44Å; D843-R846 PolarHBondContact O-N 3.47Å; D843-L847 WeakPolarHBondContact O-CB 3.41Å; D843-L847 VanDerWaalsContact O-CG 3.25Å; D843-L847 WeakPolarHBondContact O-CG 3.35Å; D843-L847 PolarHBondContact O-N 3.41Å; D843-R859 VanDerWaalsContact CG-CZ 3.46Å; D843-R859 VanDerWaalsContact CG-NH2 3.3Å; D843-R859 IonicContact OD1-CZ 3.48Å; D843-R859 IonicContact OD1-NE 3.67Å; D843-R859 PolarHBondContact OD1-NE 3.44Å; D843-R859 IonicContact OD1-NH2 3.61Å; D843-R859 IonicContact OD2-CZ 2.66Å; D843-R859 IonicContact OD2-NE 3.16Å; D843-R859 PolarHBondContact OD2-NE 3.44Å; D843-R859 IonicContact OD2-NH1 2.85Å; D843-R859 IonicContact OD2-NH2 3.2Å; D843-R859 PolarHBondContact OD2-NH2 3.34Å
844R94.3Very high94.1Very high85 Ų8556.1 Ų56.132%0.32128%0.283SS..Hα-helixtrans-65.9-42.1174.8-67-177.265.1-145.1-16.4112.7T711 F715 E840 Q841 G842 R846 L847 E848T711-R844 VanDerWaalsContact CG2-NH1 3.27Å; F715-R844 HydrophobicContact CE2-CB 4.07Å; F715-R844 HydrophobicContact CZ-CB 4.25Å; E840-R844 WeakPolarHBondContact O-CG 3.47Å; E840-R844 PolarHBondContact O-N 3.37Å; E840-R844 VanDerWaalsContact O-N 3.12Å; Q841-R844 CarbonylContact O-C 3.55Å; Q841-R844 WeakPolarHBondContact O-CB 3.08Å; Q841-R844 PolarHBondContact O-N 3.26Å; Q841-R844 VanDerWaalsContact O-N 3.14Å; G842-R844 VanDerWaalsContact C-N 3.3Å; G842-R844 PolarHBondContact O-N 3.03Å; R844-R846 PolarHBondContact O-N 3.15Å; R844-L847 PolarHBondContact O-N 3.17Å; R844-E848 WeakPolarHBondContact CG-OE1 3.27Å; R844-E848 IonicContact CZ-OE1 2.79Å; R844-E848 IonicContact CZ-OE2 3.27Å; R844-E848 IonicContact NE-OE1 3.86Å; R844-E848 PolarHBondContact NE-OE1 2.99Å; R844-E848 IonicContact NE-OE2 3.96Å; R844-E848 IonicContact NH2-OE1 3.64Å; R844-E848 PolarHBondContact NH2-OE1 3.41Å; R844-E848 IonicContact NH2-OE2 3.82Å; R844-E848 PolarHBondContact NH2-OE2 2.99Å; R844-E848 VanDerWaalsContact O-CB 3.28Å; R844-E848 WeakPolarHBondContact O-CB 3.37Å; R844-E848 PolarHBondContact O-N 3.41Å
845E94.6Very high93.8Very high5 Ų555.5 Ų55.52%0.02328%0.281CS..Hα-helixtrans-58.6-37.3173.2-71.3-162.7-176.100111.8F715 K718 Q841 G842 L849 K850 L851 P853F715-E845 HydrophobicContact CD2-CG 3.55Å; F715-E845 HydrophobicContact CE2-CG 3.79Å; K718-E845 IonicContact NZ-OE1 3.94Å; K718-E845 PolarHBondContact NZ-OE1 3.23Å; K718-E845 IonicContact NZ-OE2 2.69Å; K718-E845 PolarHBondContact NZ-OE2 3.2Å; Q841-E845 HydrophobicContact CG-CG 4.36Å; Q841-E845 PolarHBondContact NE2-OE1 3.32Å; Q841-E845 PolarHBondContact O-N 3.37Å; G842-E845 PolarHBondContact O-N 3.14Å; E845-L849 HydrophobicContact CG-CD1 4.37Å; E845-L849 CarbonylContact O-C 3.48Å; E845-L849 WeakPolarHBondContact O-CB 3.47Å; E845-L849 PolarHBondContact O-N 3.5Å; E845-K850 PolarHBondContact O-N 3.14Å; E845-L851 PolarHBondContact O-N 2.8Å; E845-P853 HydrophobicContact CB-CG 4.49Å
846R94.1Very high93.6Very high89 Ų8958 Ų5834%0.33629%0.293SS..Hα-helixtrans-72.7-42.7177.4-162.1-172.2-53.2-106.1-0.8112.8G842 D843 R844 K850 L851 P853 D858G842-R846 WeakPolarHBondContact O-CB 3.3Å; G842-R846 PolarHBondContact O-N 3.24Å; D843-R846 PolarHBondContact O-N 3.47Å; R844-R846 PolarHBondContact O-N 3.15Å; R846-K850 WeakPolarHBondContact O-CA 3.46Å; R846-L851 WeakPolarHBondContact CA-O 3.45Å; R846-P853 HydrophobicContact CB-CG 4.31Å; R846-D858 IonicContact CZ-OD2 3.63Å; R846-D858 IonicContact NH1-OD2 2.88Å; R846-D858 IonicContact NH2-OD1 3.8Å; R846-D858 PolarHBondContact NH2-OD1 3.36Å; R846-D858 VanDerWaalsContact NH2-OD1 3.15Å; R846-D858 IonicContact NH2-OD2 2.83Å; R846-D858 PolarHBondContact NH2-OD2 2.89Å
847L93.8Very high93.4Very high117 Ų11756.8 Ų56.861%0.61328%0.282SS*.Hα-helixtrans-82-47.7-174.8-69.8172.2000112.9D843 R844 K850D843-L847 WeakPolarHBondContact O-CB 3.41Å; D843-L847 VanDerWaalsContact O-CG 3.25Å; D843-L847 WeakPolarHBondContact O-CG 3.35Å; D843-L847 PolarHBondContact O-N 3.41Å; R844-L847 PolarHBondContact O-N 3.17Å; L847-K850 WeakPolarHBondContact O-CE 3.47Å; L847-K850 PolarHBondContact O-NZ 3.4Å
848E92.6Very high93.2Very high104 Ų10457.3 Ų57.349%0.48629%0.285SS..THydrogen-bonded Turntrans-84.5-48.2-174.7-61.7169.6-153.300111.2R844R844-E848 WeakPolarHBondContact CG-OE1 3.27Å; R844-E848 IonicContact CZ-OE1 2.79Å; R844-E848 IonicContact CZ-OE2 3.27Å; R844-E848 IonicContact NE-OE1 3.86Å; R844-E848 PolarHBondContact NE-OE1 2.99Å; R844-E848 IonicContact NE-OE2 3.96Å; R844-E848 IonicContact NH2-OE1 3.64Å; R844-E848 PolarHBondContact NH2-OE1 3.41Å; R844-E848 IonicContact NH2-OE2 3.82Å; R844-E848 PolarHBondContact NH2-OE2 2.99Å; R844-E848 VanDerWaalsContact O-CB 3.28Å; R844-E848 WeakPolarHBondContact O-CB 3.37Å; R844-E848 PolarHBondContact O-N 3.41Å
849L91.4Very high93.1Very high48 Ų4860.2 Ų60.225%0.25129%0.294SS..SBendtrans-97.5-6.4-171.8-50.4178.9000114F715 K718 E845 L851F715-L849 HydrophobicContact CD2-CD1 4.28Å; F715-L849 HydrophobicContact CE2-CD1 4Å; F715-L849 HydrophobicContact CZ-CD1 4.5Å; K718-L849 HydrophobicContact CB-CD1 3.84Å; K718-L849 HydrophobicContact CD-CD1 4.36Å; E845-L849 HydrophobicContact CG-CD1 4.37Å; E845-L849 CarbonylContact O-C 3.48Å; E845-L849 WeakPolarHBondContact O-CB 3.47Å; E845-L849 PolarHBondContact O-N 3.5Å; L849-L851 HydrophobicContact CB-CD1 4.02Å; L849-L851 HydrophobicContact CB-CG 3.92Å; L849-L851 HydrophobicContact CD1-CD1 4.23Å; L849-L851 PolarHBondContact O-N 2.98Å
850K92.6Very high92.8Very high163 Ų16365.2 Ų65.271%0.70932%0.322SS*.  trans55.528.3-175.3-50.5-51.7-175.2-164.50114E845 R846 L847E845-K850 PolarHBondContact O-N 3.14Å; R846-K850 WeakPolarHBondContact O-CA 3.46Å; L847-K850 WeakPolarHBondContact O-CE 3.47Å; L847-K850 PolarHBondContact O-NZ 3.4Å
851L91.7Very high92.5Very high72 Ų7265.1 Ų65.138%0.37732%0.317SS..PPolyproline II helixtrans-90158.3177.3-61.6178.3000111.2K718 E845 R846 L849 P853K718-L851 HydrophobicContact CD-CD1 3.87Å; E845-L851 PolarHBondContact O-N 2.8Å; R846-L851 WeakPolarHBondContact CA-O 3.45Å; L849-L851 HydrophobicContact CB-CD1 4.02Å; L849-L851 HydrophobicContact CB-CG 3.92Å; L849-L851 HydrophobicContact CD1-CD1 4.23Å; L849-L851 PolarHBondContact O-N 2.98Å; L851-P853 WeakPolarHBondContact O-CD 3.11Å
852T90.6Very high92.1Very high126 Ų12670.7 Ų70.777%0.77334%0.342SS*.PPolyproline II helixtrans-90.3117.4166.2-58.80000108.2
853P91.4Very high91.7Very high6 Ų674.7 Ų74.74%0.03936%0.363CS..PPolyproline II helixtrans-64.4153.3179.2-20.733.9000111.9G842 E845 R846 L851 F857G842-P853 WeakPolarHBondContact O-CG 3.33Å; E845-P853 HydrophobicContact CB-CG 4.49Å; R846-P853 HydrophobicContact CB-CG 4.31Å; L851-P853 WeakPolarHBondContact O-CD 3.11Å; P853-F857 HydrophobicContact CB-CB 3.92Å
854S90.4Very high91.5Very high65 Ų6573.8 Ų73.846%0.45536%0.357SS..PPolyproline II helixtrans-75.9167.8171.478.60000111.1I856 F857 D858S854-I856 PolarHBondContact O-N 3.38Å; S854-I856 VanDerWaalsContact O-N 3.08Å; S854-F857 PolarHBondContact O-N 3.44Å; S854-F857 WeakPolarHBondContact OG-CD2 3.16Å; S854-D858 PolarHBondContact O-N 3.46Å; S854-D858 VanDerWaalsContact O-N 3.14Å
855A88.6Confident91.2Very high14 Ų1470.6 Ų70.612%0.11635%0.346CS..G310 helixtrans-50.8-39.2-171.200000114.5F857 D858 R861 L868A855-F857 VanDerWaalsContact C-N 3.29Å; A855-F857 PolarHBondContact O-N 2.89Å; A855-D858 PolarHBondContact O-N 3.5Å; A855-R861 VanDerWaalsContact CB-CZ 3.45Å; A855-L868 HydrophobicContact CB-CD1 4.17Å
856I90.9Very high91.1Very high57 Ų5771.1 Ų71.129%0.29235%0.35SS..G310 helixtrans-72.5-19.9-177.9-161.9170.3000113.4F838 S854 L868F838-I856 HydrophobicContact CD2-CD1 4.18Å; F838-I856 HydrophobicContact CD2-CG1 3.93Å; F838-I856 HydrophobicContact CE2-CD1 4.04Å; F838-I856 HydrophobicContact CE2-CG1 4.31Å; S854-I856 PolarHBondContact O-N 3.38Å; S854-I856 VanDerWaalsContact O-N 3.08Å; I856-L868 HydrophobicContact CB-CD1 4.1Å; I856-L868 HydrophobicContact CG1-CD1 4.41Å
857F92.6Very high91.1Very high25 Ų2570.3 Ų70.311%0.1135%0.347CS..G310 helixtrans-103.8-4.2176.4-56.2-83.1000112.7N712 F838 Q841 G842 P853 S854 A855N712-F857 WeakPolarHBondContact ND2-CZ 3.49Å; F838-F857 HydrophobicContact CB-CD1 3.65Å; F838-F857 HydrophobicContact CB-CE1 4Å; F838-F857 HydrophobicContact CB-CG 4.48Å; F838-F857 HydrophobicContact CD1-CD1 4.19Å; F838-F857 AromaticContact CD1-CE1 3.64Å; F838-F857 HydrophobicContact CD1-CE1 3.64Å; F838-F857 HydrophobicContact CE1-CE1 4.25Å; F838-F857 HydrophobicContact CG-CD1 4.03Å; F838-F857 AromaticContact CG-CE1 3.83Å; F838-F857 HydrophobicContact CG-CE1 3.83Å; F838-F857 WeakPolarHBondContact O-CD1 3.49Å; Q841-F857 HydrophobicContact CB-CD1 4.25Å; Q841-F857 HydrophobicContact CG-CD1 4.3Å; Q841-F857 HydrophobicContact CG-CE1 4.49Å; G842-F857 WeakPolarHBondContact CA-O 3.42Å; P853-F857 HydrophobicContact CB-CB 3.92Å; S854-F857 PolarHBondContact O-N 3.44Å; S854-F857 WeakPolarHBondContact OG-CD2 3.16Å; A855-F857 VanDerWaalsContact C-N 3.29Å; A855-F857 PolarHBondContact O-N 2.89Å
858D92.3Very high91.1Very high14 Ų1466 Ų668%0.07533%0.325CS..  trans-98.9107.3-178.7-162-29.1000112.4R846 S854 A855 N860 R861R846-D858 IonicContact CZ-OD2 3.63Å; R846-D858 IonicContact NH1-OD2 2.88Å; R846-D858 IonicContact NH2-OD1 3.8Å; R846-D858 PolarHBondContact NH2-OD1 3.36Å; R846-D858 VanDerWaalsContact NH2-OD1 3.15Å; R846-D858 IonicContact NH2-OD2 2.83Å; R846-D858 PolarHBondContact NH2-OD2 2.89Å; S854-D858 PolarHBondContact O-N 3.46Å; S854-D858 VanDerWaalsContact O-N 3.14Å; A855-D858 PolarHBondContact O-N 3.5Å; D858-N860 PolarHBondContact O-N 3.38Å; D858-N860 VanDerWaalsContact OD1-CB 3.3Å; D858-N860 WeakPolarHBondContact OD1-CB 3.5Å; D858-N860 PolarHBondContact OD1-N 3.47Å; D858-N860 PolarHBondContact OD1-ND2 3Å; D858-R861 HydrophobicContact CB-CB 4.48Å; D858-R861 HydrophobicContact CB-CG 4.4Å; D858-R861 PolarHBondContact O-N 3.39Å
859R92.9Very high91.2Very high109 Ų10962.4 Ų62.441%0.41131%0.308SS..G310 helixtrans-55.1-24.7176.264.8-178.766-140.5-11.2114.5F839 D843 R861F839-R859 HydrophobicContact CB-CB 4.08Å; F839-R859 HydrophobicContact CD1-CB 4.21Å; F839-R859 HydrophobicContact CD2-CB 3.7Å; F839-R859 HydrophobicContact CE2-CB 4.11Å; F839-R859 HydrophobicContact CG-CB 3.75Å; F839-R859 PolarHBondContact O-NH2 2.88Å; D843-R859 VanDerWaalsContact CG-CZ 3.46Å; D843-R859 VanDerWaalsContact CG-NH2 3.3Å; D843-R859 IonicContact OD1-CZ 3.48Å; D843-R859 IonicContact OD1-NE 3.67Å; D843-R859 PolarHBondContact OD1-NE 3.44Å; D843-R859 IonicContact OD1-NH2 3.61Å; D843-R859 IonicContact OD2-CZ 2.66Å; D843-R859 IonicContact OD2-NE 3.16Å; D843-R859 PolarHBondContact OD2-NE 3.44Å; D843-R859 IonicContact OD2-NH1 2.85Å; D843-R859 IonicContact OD2-NH2 3.2Å; D843-R859 PolarHBondContact OD2-NH2 3.34Å; R859-R861 PolarHBondContact O-N 2.75Å
860N90.4Very high91.4Very high121 Ų12160.7 Ų60.765%0.64730%0.299SS*.G310 helixtrans-75.8-12.8177.5-54-74.7000112.8D858D858-N860 PolarHBondContact O-N 3.38Å; D858-N860 VanDerWaalsContact OD1-CB 3.3Å; D858-N860 WeakPolarHBondContact OD1-CB 3.5Å; D858-N860 PolarHBondContact OD1-N 3.47Å; D858-N860 PolarHBondContact OD1-ND2 3Å
861R89.3Confident91.5Very high99 Ų9957.6 Ų57.637%0.37429%0.287SS..G310 helixtrans-111.223.8178.3-61.517765.4179.80.5112A855 D858 R859 D863 E864A855-R861 VanDerWaalsContact CB-CZ 3.45Å; D858-R861 HydrophobicContact CB-CB 4.48Å; D858-R861 HydrophobicContact CB-CG 4.4Å; D858-R861 PolarHBondContact O-N 3.39Å; R859-R861 PolarHBondContact O-N 2.75Å; R861-D863 PolarHBondContact O-N 2.9Å; R861-D863 VanDerWaalsContact O-N 3.1Å; R861-E864 IonicContact CZ-OE1 2.69Å; R861-E864 IonicContact NE-OE1 3.2Å; R861-E864 PolarHBondContact NE-OE1 2.81Å; R861-E864 VanDerWaalsContact NH2-CD 3.32Å; R861-E864 IonicContact NH2-OE1 3.53Å; R861-E864 PolarHBondContact NH2-OE1 3.3Å; R861-E864 IonicContact NH2-OE2 2.75Å; R861-E864 PolarHBondContact NH2-OE2 2.94Å; R861-E864 WeakPolarHBondContact O-CB 3.36Å; R861-E864 PolarHBondContact O-N 2.7Å
862K88.4Confident91.6Very high120 Ų12058 Ų5852%0.52228%0.283SS..G310 helixtrans-55.6-26.8179.9-177.4175.1-178.3172.40113.2F839 E864 L865F839-K862 HydrophobicContact CE2-CB 4.1Å; F839-K862 HydrophobicContact CE2-CD 4.13Å; F839-K862 HydrophobicContact CE2-CG 4.08Å; F839-K862 HydrophobicContact CZ-CB 3.95Å; F839-K862 HydrophobicContact CZ-CG 4.18Å; K862-E864 PolarHBondContact O-N 2.7Å; K862-L865 WeakPolarHBondContact O-CB 3.47Å; K862-L865 PolarHBondContact O-N 2.98Å; K862-L865 VanDerWaalsContact O-N 3.14Å
863D88.6Confident91.9Very high83 Ų8352 Ų5244%0.44425%0.247SC..G310 helixtrans-67-22.1175.670.7-44.9000113R861 L865 P866 R912R861-D863 PolarHBondContact O-N 2.9Å; R861-D863 VanDerWaalsContact O-N 3.1Å; D863-L865 VanDerWaalsContact C-N 3.28Å; D863-L865 PolarHBondContact O-N 2.84Å; D863-P866 WeakPolarHBondContact O-CD 3.43Å; D863-R912 WeakPolarHBondContact O-CD 3.41Å; D863-R912 PolarHBondContact O-NE 2.85Å; D863-R912 PolarHBondContact O-NH1 2.81Å; D863-R912 IonicContact OD1-NH2 3.35Å; D863-R912 IonicContact OD2-CZ 3.92Å; D863-R912 IonicContact OD2-NE 3.16Å; D863-R912 PolarHBondContact OD2-NE 3.11Å; D863-R912 IonicContact OD2-NH2 3.24Å; D863-R912 PolarHBondContact OD2-NH2 2.87Å
864E89.4Confident92.1Very high28 Ų2854.9 Ų54.913%0.13126%0.262CS..G310 helixtrans-74.6-12.4171.2-69.6-173.6-120.900114.5R861 K862 R867 L868R861-E864 IonicContact CZ-OE1 2.69Å; R861-E864 IonicContact NE-OE1 3.2Å; R861-E864 PolarHBondContact NE-OE1 2.81Å; R861-E864 VanDerWaalsContact NH2-CD 3.32Å; R861-E864 IonicContact NH2-OE1 3.53Å; R861-E864 PolarHBondContact NH2-OE1 3.3Å; R861-E864 IonicContact NH2-OE2 2.75Å; R861-E864 PolarHBondContact NH2-OE2 2.94Å; R861-E864 WeakPolarHBondContact O-CB 3.36Å; R861-E864 PolarHBondContact O-N 2.7Å; K862-E864 PolarHBondContact O-N 2.7Å; E864-R867 WeakPolarHBondContact O-CB 3.44Å; E864-R867 PolarHBondContact O-N 2.89Å; E864-R867 IonicContact OE2-CZ 3.72Å; E864-R867 IonicContact OE2-NE 3.81Å; E864-R867 IonicContact OE2-NH2 2.7Å; E864-R867 PolarHBondContact OE2-NH2 3.29Å; E864-L868 HydrophobicContact CB-CD1 4.35Å; E864-L868 PolarHBondContact O-N 2.88Å; E864-L868 VanDerWaalsContact O-N 3.17Å
865L88.8Confident92.3Very high17 Ų1754.8 Ų54.89%0.08926%0.261CS..Hα-helixtrans-51.4-45-175.1-178.265.9000114.3T835 K862 D863 R867 L868 Q869T835-L865 HydrophobicContact CG2-CD1 3.9Å; T835-L865 HydrophobicContact CG2-CD2 4.03Å; T835-L865 WeakPolarHBondContact OG1-CD1 3.23Å; K862-L865 WeakPolarHBondContact O-CB 3.47Å; K862-L865 PolarHBondContact O-N 2.98Å; K862-L865 VanDerWaalsContact O-N 3.14Å; D863-L865 VanDerWaalsContact C-N 3.28Å; D863-L865 PolarHBondContact O-N 2.84Å; L865-R867 VanDerWaalsContact C-N 3.28Å; L865-R867 PolarHBondContact O-N 3.5Å; L865-L868 PolarHBondContact O-N 3.46Å; L865-Q869 HydrophobicContact CD1-CG 3.98Å; L865-Q869 HydrophobicContact CG-CG 4.18Å; L865-Q869 WeakPolarHBondContact O-CB 3.44Å; L865-Q869 WeakPolarHBondContact O-CG 3.21Å; L865-Q869 PolarHBondContact O-N 3.22Å
866P93.1Very high92.6Very high17 Ų1754.8 Ų54.811%0.1126%0.259CS..Hα-helixtrans-60.5-34.8178.7-24.936.2000113.7D863 L870 W905 L908 H909D863-P866 WeakPolarHBondContact O-CD 3.43Å; P866-L870 VanDerWaalsContact O-CG 3.3Å; P866-L870 WeakPolarHBondContact O-CG 3.39Å; P866-L870 PolarHBondContact O-N 3.07Å; P866-L870 VanDerWaalsContact O-N 3.12Å; P866-W905 HydrophobicContact CB-CE3 4.04Å; P866-W905 HydrophobicContact CG-CE3 4.36Å; P866-W905 HydrophobicContact CG-CZ3 4.38Å; P866-L908 HydrophobicContact CB-CB 4.19Å; P866-L908 HydrophobicContact CG-CB 4.16Å; P866-H909 HydrophobicContact CB-CB 4.01Å
867R93.8Very high92.9Very high71 Ų7152 Ų5227%0.26825%0.245SC..Hα-helixtrans-68.5-46.1175.9-177-176.363.576.72.4110.7E864 L865 Q869 L870 E871E864-R867 WeakPolarHBondContact O-CB 3.44Å; E864-R867 PolarHBondContact O-N 2.89Å; E864-R867 IonicContact OE2-CZ 3.72Å; E864-R867 IonicContact OE2-NE 3.81Å; E864-R867 IonicContact OE2-NH2 2.7Å; E864-R867 PolarHBondContact OE2-NH2 3.29Å; L865-R867 VanDerWaalsContact C-N 3.28Å; L865-R867 PolarHBondContact O-N 3.5Å; R867-Q869 VanDerWaalsContact C-N 3.3Å; R867-Q869 PolarHBondContact O-N 2.7Å; R867-L870 PolarHBondContact O-N 2.9Å; R867-E871 WeakPolarHBondContact CG-OE1 3.4Å; R867-E871 IonicContact CZ-OE1 2.67Å; R867-E871 IonicContact CZ-OE2 3.18Å; R867-E871 IonicContact NH1-OE1 3.66Å; R867-E871 PolarHBondContact NH1-OE1 2.9Å; R867-E871 IonicContact NH1-OE2 2.76Å; R867-E871 PolarHBondContact NH1-OE2 2.97Å; R867-E871 PolarHBondContact O-N 3.31Å
868L92.7Very high93.1Very high28 Ų2852 Ų5215%0.14725%0.246CC..Hα-helixtrans-64-36.6179.7-62.8172.6000111.7A855 I856 E864 L865 E871 W872A855-L868 HydrophobicContact CB-CD1 4.17Å; I856-L868 HydrophobicContact CB-CD1 4.1Å; I856-L868 HydrophobicContact CG1-CD1 4.41Å; E864-L868 HydrophobicContact CB-CD1 4.35Å; E864-L868 PolarHBondContact O-N 2.88Å; E864-L868 VanDerWaalsContact O-N 3.17Å; L865-L868 PolarHBondContact O-N 3.46Å; L868-E871 PolarHBondContact O-N 3Å; L868-W872 VanDerWaalsContact O-CB 3.26Å; L868-W872 WeakPolarHBondContact O-CB 3.44Å; L868-W872 PolarHBondContact O-N 3.49Å
869Q94.3Very high93.3Very high27 Ų2753.1 Ų53.113%0.12625%0.254CS..Hα-helixtrans-66.7-39.7173.8-72.6-66.6-21.200112.4L865 R867 W872 I873 W905L865-Q869 HydrophobicContact CD1-CG 3.98Å; L865-Q869 HydrophobicContact CG-CG 4.18Å; L865-Q869 WeakPolarHBondContact O-CB 3.44Å; L865-Q869 WeakPolarHBondContact O-CG 3.21Å; L865-Q869 PolarHBondContact O-N 3.22Å; R867-Q869 VanDerWaalsContact C-N 3.3Å; R867-Q869 PolarHBondContact O-N 2.7Å; Q869-W872 PolarHBondContact O-N 2.89Å; Q869-I873 WeakPolarHBondContact O-CB 3.28Å; Q869-I873 WeakPolarHBondContact O-CD1 3.39Å; Q869-I873 WeakPolarHBondContact O-CG1 3.47Å; Q869-I873 PolarHBondContact O-N 2.63Å; Q869-W905 HydrophobicContact CB-CD2 3.84Å; Q869-W905 HydrophobicContact CB-CE3 4.21Å; Q869-W905 HydrophobicContact CB-CG 4.07Å; Q869-W905 HydrophobicContact CB-CZ2 4.5Å; Q869-W905 HydrophobicContact CG-CD2 4.21Å; Q869-W905 HydrophobicContact CG-CE3 4.37Å; Q869-W905 HydrophobicContact CG-CH2 4.2Å; Q869-W905 HydrophobicContact CG-CZ2 4.01Å; Q869-W905 HydrophobicContact CG-CZ3 4.36Å
870L95.9Very high93.5Very high13 Ų1348 Ų487%0.06823%0.234CC..Hα-helixtrans-62.7-46.9173.4-71.2164.9000111.9P866 R867 W872 I873 D874 R902 W905 E906 H909P866-L870 VanDerWaalsContact O-CG 3.3Å; P866-L870 WeakPolarHBondContact O-CG 3.39Å; P866-L870 PolarHBondContact O-N 3.07Å; P866-L870 VanDerWaalsContact O-N 3.12Å; R867-L870 PolarHBondContact O-N 2.9Å; L870-W872 VanDerWaalsContact C-N 3.33Å; L870-W872 PolarHBondContact O-N 3.08Å; L870-I873 PolarHBondContact O-N 3.02Å; L870-D874 WeakPolarHBondContact O-CB 3.39Å; L870-D874 PolarHBondContact O-N 3.17Å; L870-R902 HydrophobicContact CD2-CG 3.74Å; L870-R902 WeakPolarHBondContact CD2-O 3.38Å; L870-W905 HydrophobicContact CD2-CB 3.91Å; L870-W905 HydrophobicContact CG-CB 4.05Å; L870-E906 HydrophobicContact CD2-CB 4.28Å; L870-H909 HydrophobicContact CD1-CB 3.9Å
871E95.2Very high93.8Very high97 Ų9742.3 Ų42.345%0.45320%0.204SC..Hα-helixtrans-60.8-41.1177.2-74.5167.8-169.700112.1R867 L868 S875R867-E871 WeakPolarHBondContact CG-OE1 3.4Å; R867-E871 IonicContact CZ-OE1 2.67Å; R867-E871 IonicContact CZ-OE2 3.18Å; R867-E871 IonicContact NH1-OE1 3.66Å; R867-E871 PolarHBondContact NH1-OE1 2.9Å; R867-E871 IonicContact NH1-OE2 2.76Å; R867-E871 PolarHBondContact NH1-OE2 2.97Å; R867-E871 PolarHBondContact O-N 3.31Å; L868-E871 PolarHBondContact O-N 3Å; E871-S875 WeakPolarHBondContact O-CB 3.18Å; E871-S875 PolarHBondContact O-N 3.28Å
872W94.1Very high94.2Very high80 Ų8042.2 Ų42.230%0.30321%0.208SC..Hα-helixtrans-62-50.6174.1172.7-101.8000112.3L777 L817 L868 Q869 L870 D874 I876 C877L777-W872 HydrophobicContact CD1-CH2 3.65Å; L777-W872 HydrophobicContact CD1-CZ3 4.05Å; L777-W872 HydrophobicContact CD2-CH2 4.21Å; L817-W872 HydrophobicContact CD1-CH2 4.36Å; L817-W872 HydrophobicContact CD1-CZ2 3.83Å; L817-W872 HydrophobicContact CD2-CH2 4.24Å; L817-W872 HydrophobicContact CD2-CZ2 3.67Å; L817-W872 HydrophobicContact CG-CZ2 4.35Å; L868-W872 VanDerWaalsContact O-CB 3.26Å; L868-W872 WeakPolarHBondContact O-CB 3.44Å; L868-W872 PolarHBondContact O-N 3.49Å; Q869-W872 PolarHBondContact O-N 2.89Å; L870-W872 VanDerWaalsContact C-N 3.33Å; L870-W872 PolarHBondContact O-N 3.08Å; W872-D874 PolarHBondContact O-N 3.01Å; W872-I876 HydrophobicContact CD2-CD1 4.35Å; W872-I876 HydrophobicContact CE3-CD1 3.51Å; W872-I876 HydrophobicContact CH2-CD1 3.81Å; W872-I876 HydrophobicContact CH2-CG2 4.02Å; W872-I876 HydrophobicContact CZ2-CG2 4.16Å; W872-I876 HydrophobicContact CZ3-CD1 3.2Å; W872-I876 HydrophobicContact CZ3-CG1 4.45Å; W872-I876 PolarHBondContact O-N 3.17Å; W872-C877 PolarHBondContact NE1-SG 2.58Å
873I96.7Very high94.5Very high1 Ų136.9 Ų36.91%0.00519%0.186CC..Iπ-helixtrans-60.9-47.7179.8-70.6166.1000110.7V820 Q869 L870 C877 M878 V898 R902V820-I873 HydrophobicContact CG2-CD1 4.23Å; V820-I873 HydrophobicContact CG2-CG1 3.82Å; Q869-I873 WeakPolarHBondContact O-CB 3.28Å; Q869-I873 WeakPolarHBondContact O-CD1 3.39Å; Q869-I873 WeakPolarHBondContact O-CG1 3.47Å; Q869-I873 PolarHBondContact O-N 2.63Å; L870-I873 PolarHBondContact O-N 3.02Å; I873-C877 PolarHBondContact O-N 2.9Å; I873-M878 HydrophobicContact CG2-CE 4.35Å; I873-M878 VanDerWaalsContact O-CB 3.23Å; I873-M878 WeakPolarHBondContact O-CB 3.46Å; I873-M878 PolarHBondContact O-N 3.42Å; I873-V898 HydrophobicContact CG2-CG1 3.8Å; I873-R902 HydrophobicContact CG2-CB 4.1Å; I873-R902 HydrophobicContact CG2-CG 4.1Å
874D96.8Very high94.8Very high66 Ų6633 Ų3335%0.35317%0.165SC..Iπ-helixtrans-73.4-33.1-174.5-73.9-17.9000113.3L870 W872 P879 R902L870-D874 WeakPolarHBondContact O-CB 3.39Å; L870-D874 PolarHBondContact O-N 3.17Å; W872-D874 PolarHBondContact O-N 3.01Å; D874-P879 WeakPolarHBondContact O-CD 3.35Å; D874-R902 WeakPolarHBondContact OD1-CD 3.37Å; D874-R902 IonicContact OD1-CZ 2.83Å; D874-R902 IonicContact OD1-NE 3.89Å; D874-R902 PolarHBondContact OD1-NE 3.1Å; D874-R902 IonicContact OD1-NH2 3.73Å; D874-R902 IonicContact OD2-CZ 3.16Å; D874-R902 IonicContact OD2-NE 3.04Å; D874-R902 PolarHBondContact OD2-NE 3.14Å; D874-R902 IonicContact OD2-NH2 2.74Å; D874-R902 PolarHBondContact OD2-NH2 3.2Å
875S94.2Very high95.1Very high64 Ų6432.8 Ų32.845%0.44817%0.166SC..Iπ-helixtrans-84.4-28.5-176-172.70000114.4R784 E871R784-S875 PolarHBondContact NH1-O 3.09Å; E871-S875 WeakPolarHBondContact O-CB 3.18Å; E871-S875 PolarHBondContact O-N 3.28Å
876I94.8Very high95.4Very high13 Ų1339 Ų397%0.06719%0.192CC..Iπ-helixtrans-127.9-58.3-166.9-64.5165.7000111.7Y780 F781 L817 W872Y780-I876 HydrophobicContact CE1-CG2 4.02Å; Y780-I876 PolarHBondContact OH-O 3.42Å; F781-I876 HydrophobicContact CE1-CG1 4.33Å; F781-I876 HydrophobicContact CE2-CD1 4.4Å; F781-I876 HydrophobicContact CZ-CD1 3.76Å; F781-I876 HydrophobicContact CZ-CG1 3.77Å; L817-I876 HydrophobicContact CD1-CG2 3.7Å; W872-I876 HydrophobicContact CD2-CD1 4.35Å; W872-I876 HydrophobicContact CE3-CD1 3.51Å; W872-I876 HydrophobicContact CH2-CD1 3.81Å; W872-I876 HydrophobicContact CH2-CG2 4.02Å; W872-I876 HydrophobicContact CZ2-CG2 4.16Å; W872-I876 HydrophobicContact CZ3-CD1 3.2Å; W872-I876 HydrophobicContact CZ3-CG1 4.45Å; W872-I876 PolarHBondContact O-N 3.17Å
877C96.4Very high95.4Very high0 Ų040 Ų400%020%0.198CC..Iπ-helixtrans-69.7-53.5-174.5-57.70000112.5V820 W872 I873 L880 Y881V820-C877 HydrophobicContact CG1-CB 3.99Å; V820-C877 HydrophobicContact CG2-CB 4.31Å; W872-C877 PolarHBondContact NE1-SG 2.58Å; I873-C877 PolarHBondContact O-N 2.9Å; C877-L880 PolarHBondContact O-N 2.91Å; C877-Y881 HydrophobicContact CB-CD2 4.33Å; C877-Y881 HydrophobicContact CB-CE2 4.08Å; C877-Y881 WeakPolarHBondContact O-CD2 3.34Å; C877-Y881 PolarHBondContact O-N 3.05Å; C877-Y881 VanDerWaalsContact O-N 3.08Å
878M96.1Very high95.3Very high24 Ų2438 Ų3812%0.11819%0.192CC..Hα-helixtrans-58.8-47-173.3-174.371.373.800112.6I873 L880 Q882 L895 V898 A899I873-M878 HydrophobicContact CG2-CE 4.35Å; I873-M878 VanDerWaalsContact O-CB 3.23Å; I873-M878 WeakPolarHBondContact O-CB 3.46Å; I873-M878 PolarHBondContact O-N 3.42Å; M878-L880 VanDerWaalsContact C-N 3.33Å; M878-L880 PolarHBondContact O-N 3.28Å; M878-Q882 HydrophobicContact CG-CG 4.46Å; M878-Q882 WeakPolarHBondContact O-CB 3.47Å; M878-Q882 WeakPolarHBondContact O-CG 3.43Å; M878-Q882 PolarHBondContact O-N 3.06Å; M878-Q882 HydrophobicContact SD-CG 4.47Å; M878-L895 HydrophobicContact SD-CD1 3.59Å; M878-L895 VanDerWaalsContact SD-CD1 3.59Å; M878-V898 HydrophobicContact CE-CG1 3.84Å; M878-V898 HydrophobicContact SD-CG1 4.29Å; M878-A899 HydrophobicContact CE-CB 4.49Å
879P96.9Very high95.4Very high38 Ų3841.9 Ų41.925%0.24722%0.217CC..Hα-helixtrans-63.2-36.9177.7-22.535.3000113.1F788 D874 A883F788-P879 HydrophobicContact CE2-CB 4Å; F788-P879 HydrophobicContact CZ-CB 3.91Å; D874-P879 WeakPolarHBondContact O-CD 3.35Å; P879-A883 PolarHBondContact O-N 2.68Å
880L97.3Very high95.4Very high0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-64.8-51.9179.2177.555.6000111.4Y780 M810 T813 A814 C877 M878 Q882 A883 L884Y780-L880 HydrophobicContact CE2-CD1 4.33Å; Y780-L880 HydrophobicContact CE2-CD2 4.1Å; M810-L880 HydrophobicContact CB-CD1 4.12Å; M810-L880 HydrophobicContact SD-CD1 4.18Å; T813-L880 HydrophobicContact CG2-CD2 4.29Å; A814-L880 HydrophobicContact CB-CD2 3.94Å; A814-L880 HydrophobicContact CB-CG 4.26Å; C877-L880 PolarHBondContact O-N 2.91Å; M878-L880 VanDerWaalsContact C-N 3.33Å; M878-L880 PolarHBondContact O-N 3.28Å; L880-Q882 VanDerWaalsContact C-N 3.34Å; L880-Q882 PolarHBondContact O-N 2.81Å; L880-A883 PolarHBondContact O-N 3.47Å; L880-L884 HydrophobicContact CD1-CD1 4.07Å; L880-L884 HydrophobicContact CD1-CG 4.32Å; L880-L884 HydrophobicContact CG-CD1 4.13Å; L880-L884 WeakPolarHBondContact O-CG 3.44Å; L880-L884 PolarHBondContact O-N 3.45Å
881Y97.2Very high95.3Very high3 Ų345.4 Ų45.41%0.01223%0.231CC..Hα-helixtrans-68.7-31.6178.8-62-65.5000112.6A814 L817 V820 T821 C877 L884 V885 M894 V898A814-Y881 HydrophobicContact CB-CE1 3.96Å; A814-Y881 PolarHBondContact O-OH 2.97Å; L817-Y881 PolarHBondContact O-OH 3.37Å; V820-Y881 HydrophobicContact CG1-CE2 3.53Å; T821-Y881 HydrophobicContact CG2-CD1 4.24Å; T821-Y881 HydrophobicContact CG2-CD2 4.21Å; T821-Y881 HydrophobicContact CG2-CE1 3.65Å; T821-Y881 HydrophobicContact CG2-CE2 3.63Å; T821-Y881 HydrophobicContact CG2-CG 4.49Å; T821-Y881 WeakPolarHBondContact CG2-OH 3.38Å; C877-Y881 HydrophobicContact CB-CD2 4.33Å; C877-Y881 HydrophobicContact CB-CE2 4.08Å; C877-Y881 WeakPolarHBondContact O-CD2 3.34Å; C877-Y881 PolarHBondContact O-N 3.05Å; C877-Y881 VanDerWaalsContact O-N 3.08Å; Y881-L884 HydrophobicContact CD1-CD1 4.14Å; Y881-L884 PolarHBondContact O-N 3.35Å; Y881-V885 WeakPolarHBondContact O-CB 3.42Å; Y881-V885 VanDerWaalsContact O-CG2 3.29Å; Y881-V885 WeakPolarHBondContact O-CG2 3.45Å; Y881-V885 PolarHBondContact O-N 3.08Å; Y881-M894 HydrophobicContact CD1-CE 4.14Å; Y881-M894 HydrophobicContact CE1-CE 3.64Å; Y881-V898 HydrophobicContact CD2-CG2 3.79Å; Y881-V898 HydrophobicContact CE2-CG2 4.08Å; Y881-V898 HydrophobicContact CG-CG2 4.5Å
882Q97Very high95.3Very high96 Ų9644.4 Ų44.445%0.44923%0.226SC..Hα-helixtrans-61.8-41.4170.9-76.1177.74.300112.5M878 L880 K886 L895M878-Q882 HydrophobicContact CG-CG 4.46Å; M878-Q882 WeakPolarHBondContact O-CB 3.47Å; M878-Q882 WeakPolarHBondContact O-CG 3.43Å; M878-Q882 PolarHBondContact O-N 3.06Å; M878-Q882 HydrophobicContact SD-CG 4.47Å; L880-Q882 VanDerWaalsContact C-N 3.34Å; L880-Q882 PolarHBondContact O-N 2.81Å; Q882-K886 WeakPolarHBondContact O-CG 3.4Å; Q882-K886 PolarHBondContact O-N 3.37Å; Q882-L895 HydrophobicContact CG-CD1 3.75Å; Q882-L895 HydrophobicContact CG-CD2 4.06Å
883A96.3Very high95.4Very high8 Ų843.1 Ų43.17%0.06623%0.227CC..Hα-helixtrans-67.4-44174.800000111.6F787 F788 V791 P879 L880 V885 K886 V887F787-A883 HydrophobicContact CD1-CB 4.23Å; F787-A883 HydrophobicContact CE1-CB 3.74Å; F788-A883 HydrophobicContact CD1-CB 3.57Å; F788-A883 HydrophobicContact CE1-CB 3.63Å; V791-A883 HydrophobicContact CG1-CB 4.43Å; P879-A883 PolarHBondContact O-N 2.68Å; L880-A883 PolarHBondContact O-N 3.47Å; A883-V885 VanDerWaalsContact C-N 3.34Å; A883-V885 PolarHBondContact O-N 3.29Å; A883-K886 WeakPolarHBondContact O-CB 3.23Å; A883-K886 PolarHBondContact O-N 3.36Å; A883-K886 VanDerWaalsContact O-N 3.09Å; A883-V887 PolarHBondContact O-N 2.94Å; A883-V887 VanDerWaalsContact O-N 3.14Å
884L95Very high95.3Very high1 Ų143.1 Ų43.11%0.00523%0.227CC..Hα-helixtrans-61.9-37.9178.1-72.5170.1000113M679 F787 F807 L811 A814 L880 Y881 K886 V887 N888 L891M679-L884 HydrophobicContact CE-CD1 4.37Å; F787-L884 HydrophobicContact CE1-CD2 4.38Å; F787-L884 HydrophobicContact CZ-CD2 4.07Å; F807-L884 HydrophobicContact CD2-CD2 4.43Å; F807-L884 HydrophobicContact CE2-CD2 3.92Å; L811-L884 HydrophobicContact CD2-CD2 4.13Å; A814-L884 HydrophobicContact CB-CD1 3.46Å; A814-L884 VanDerWaalsContact CB-CD1 3.46Å; L880-L884 HydrophobicContact CD1-CD1 4.07Å; L880-L884 HydrophobicContact CD1-CG 4.32Å; L880-L884 HydrophobicContact CG-CD1 4.13Å; L880-L884 WeakPolarHBondContact O-CG 3.44Å; L880-L884 PolarHBondContact O-N 3.45Å; Y881-L884 HydrophobicContact CD1-CD1 4.14Å; Y881-L884 PolarHBondContact O-N 3.35Å; L884-K886 VanDerWaalsContact C-N 3.3Å; L884-K886 PolarHBondContact O-N 2.88Å; L884-V887 WeakPolarHBondContact O-CB 3.26Å; L884-V887 PolarHBondContact O-N 2.79Å; L884-V887 VanDerWaalsContact O-N 3.17Å; L884-N888 PolarHBondContact O-N 2.56Å; L884-L891 HydrophobicContact CB-CD1 3.75Å
885V95.7Very high95.3Very high24 Ų2441.1 Ų41.115%0.14522%0.217CC..Hα-helixtrans-65.6-30.6174.3170.20000112.6Y881 A883 N888 V889 L891 K892 L895Y881-V885 WeakPolarHBondContact O-CB 3.42Å; Y881-V885 VanDerWaalsContact O-CG2 3.29Å; Y881-V885 WeakPolarHBondContact O-CG2 3.45Å; Y881-V885 PolarHBondContact O-N 3.08Å; A883-V885 VanDerWaalsContact C-N 3.34Å; A883-V885 PolarHBondContact O-N 3.29Å; V885-N888 CarbonylContact O-C 3.33Å; V885-N888 VanDerWaalsContact O-C 3.25Å; V885-V889 PolarHBondContact O-N 3.13Å; V885-L891 HydrophobicContact CG2-CB 4.08Å; V885-K892 HydrophobicContact CG1-CB 4.39Å; V885-K892 HydrophobicContact CG1-CD 3.88Å; V885-L895 HydrophobicContact CB-CD2 4.25Å; V885-L895 HydrophobicContact CG1-CD2 4.43Å; V885-L895 HydrophobicContact CG2-CB 3.85Å; V885-L895 HydrophobicContact CG2-CD2 3.96Å
886K94.3Very high95.4Very high148 Ų14841.9 Ų41.964%0.64322%0.216SC*.Hα-helixtrans-70.1-33.8172.2-70.2175-179.7-1800112.4V791 Q882 A883 L884V791-K886 HydrophobicContact CG1-CB 3.61Å; V791-K886 HydrophobicContact CG1-CD 4.12Å; Q882-K886 WeakPolarHBondContact O-CG 3.4Å; Q882-K886 PolarHBondContact O-N 3.37Å; A883-K886 WeakPolarHBondContact O-CB 3.23Å; A883-K886 PolarHBondContact O-N 3.36Å; A883-K886 VanDerWaalsContact O-N 3.09Å; L884-K886 VanDerWaalsContact C-N 3.3Å; L884-K886 PolarHBondContact O-N 2.88Å
887V92.4Very high95.5Very high38 Ų3842 Ų4223%0.2322%0.218CC..Hα-helixtrans-69.8-42.2172.71780000110.9F685 F787 V791 W798 F807 A883 L884F685-V887 HydrophobicContact CE1-CG1 4.41Å; F787-V887 HydrophobicContact CE2-CG2 4.28Å; F787-V887 HydrophobicContact CZ-CG2 3.98Å; V791-V887 HydrophobicContact CB-CG2 4.43Å; V791-V887 HydrophobicContact CG1-CG2 4.01Å; V791-V887 HydrophobicContact CG2-CG2 3.49Å; V791-V887 VanDerWaalsContact CG2-CG2 3.49Å; W798-V887 HydrophobicContact CH2-CG1 3.91Å; W798-V887 HydrophobicContact CZ2-CG1 3.78Å; F807-V887 HydrophobicContact CE2-CG1 4.08Å; A883-V887 PolarHBondContact O-N 2.94Å; A883-V887 VanDerWaalsContact O-N 3.14Å; L884-V887 WeakPolarHBondContact O-CB 3.26Å; L884-V887 PolarHBondContact O-N 2.79Å; L884-V887 VanDerWaalsContact O-N 3.17Å
888N92.8Very high95.5Very high28 Ų2842 Ų4215%0.1522%0.218CC..  trans-149.1112.1-179.6-170.2-18.1000112A683 F685 L884 V885 K890 L891A683-N888 PolarHBondContact O-ND2 2.88Å; F685-N888 HydrophobicContact CE1-CB 3.78Å; F685-N888 WeakPolarHBondContact CE1-ND2 3.43Å; F685-N888 HydrophobicContact CZ-CB 3.63Å; L884-N888 PolarHBondContact O-N 2.56Å; V885-N888 CarbonylContact O-C 3.33Å; V885-N888 VanDerWaalsContact O-C 3.25Å; N888-K890 PolarHBondContact O-N 3.13Å; N888-K890 VanDerWaalsContact O-N 3.09Å; N888-K890 WeakPolarHBondContact OD1-CB 3.2Å; N888-K890 WeakPolarHBondContact OD1-CG 3.44Å; N888-K890 PolarHBondContact OD1-N 2.66Å; N888-K890 VanDerWaalsContact OD1-N 3.08Å; N888-L891 PolarHBondContact O-N 2.81Å; N888-L891 VanDerWaalsContact O-N 3.1Å
889V94.1Very high95.6Very high110 Ų11042.6 Ų42.667%0.66723%0.227SC*.G310 helixtrans-60.3-22.2-178.270.70000113.5V885 L891 K892V885-V889 PolarHBondContact O-N 3.13Å; V889-L891 PolarHBondContact O-N 3.32Å; V889-L891 VanDerWaalsContact O-N 3.14Å; V889-K892 WeakPolarHBondContact O-CB 3.37Å; V889-K892 PolarHBondContact O-N 2.79Å
890K93.8Very high95.6Very high112 Ų11243.3 Ų43.349%0.48724%0.236SC..G310 helixtrans-61.7-20.7176.3-66.3-179.4176.5-179.10113.5T682 A683 N888 K892 P893T682-K890 WeakPolarHBondContact O-CD 3.5Å; T682-K890 PolarHBondContact O-NZ 3.3Å; A683-K890 HydrophobicContact CB-CB 4.23Å; A683-K890 WeakPolarHBondContact O-CD 3.31Å; N888-K890 PolarHBondContact O-N 3.13Å; N888-K890 VanDerWaalsContact O-N 3.09Å; N888-K890 WeakPolarHBondContact OD1-CB 3.2Å; N888-K890 WeakPolarHBondContact OD1-CG 3.44Å; N888-K890 PolarHBondContact OD1-N 2.66Å; N888-K890 VanDerWaalsContact OD1-N 3.08Å; K890-K892 PolarHBondContact O-N 2.95Å; K890-P893 VanDerWaalsContact O-CD 3.23Å; K890-P893 WeakPolarHBondContact O-CD 3.44Å
891L94.6Very high95.6Very high2 Ų243.5 Ų43.51%0.0124%0.237CC..G310 helixtrans-79.7-1.5175.5-59.3179.9000113.7M679 A683 F685 L884 V885 N888 V889 P893 M894M679-L891 HydrophobicContact CE-CD1 3.69Å; M679-L891 HydrophobicContact CE-CD2 3.85Å; M679-L891 HydrophobicContact CE-CG 4.44Å; M679-L891 HydrophobicContact CG-CD2 4.09Å; A683-L891 HydrophobicContact CB-CD2 3.58Å; A683-L891 HydrophobicContact CB-CG 4.22Å; F685-L891 HydrophobicContact CE2-CD1 3.87Å; F685-L891 HydrophobicContact CE2-CD2 4.26Å; F685-L891 HydrophobicContact CE2-CG 4.35Å; F685-L891 HydrophobicContact CZ-CD1 3.82Å; F685-L891 HydrophobicContact CZ-CG 4.4Å; L884-L891 HydrophobicContact CB-CD1 3.75Å; V885-L891 HydrophobicContact CG2-CB 4.08Å; N888-L891 PolarHBondContact O-N 2.81Å; N888-L891 VanDerWaalsContact O-N 3.1Å; V889-L891 PolarHBondContact O-N 3.32Å; V889-L891 VanDerWaalsContact O-N 3.14Å; L891-P893 VanDerWaalsContact C-N 3.3Å; L891-M894 HydrophobicContact CD2-SD 3.86Å; L891-M894 WeakPolarHBondContact O-CB 3.17Å; L891-M894 PolarHBondContact O-N 3.5Å
892K95.4Very high95.6Very high77 Ų7746.5 Ų46.534%0.33525%0.248SC..Hα-helixtrans-50.4-38.8-179.5-173.768.9-175.969.80114.1V885 V889 K890 M894 L895 D896V885-K892 HydrophobicContact CG1-CB 4.39Å; V885-K892 HydrophobicContact CG1-CD 3.88Å; V889-K892 WeakPolarHBondContact O-CB 3.37Å; V889-K892 PolarHBondContact O-N 2.79Å; K890-K892 PolarHBondContact O-N 2.95Å; K892-M894 VanDerWaalsContact C-N 3.28Å; K892-M894 PolarHBondContact O-N 3.38Å; K892-L895 PolarHBondContact O-N 3.16Å; K892-L895 VanDerWaalsContact O-N 3.17Å; K892-D896 IonicContact NZ-OD1 2.56Å; K892-D896 PolarHBondContact NZ-OD1 2.98Å; K892-D896 IonicContact NZ-OD2 3.47Å; K892-D896 PolarHBondContact NZ-OD2 3.39Å; K892-D896 PolarHBondContact O-N 3.07Å
893P95.4Very high95.6Very high52 Ų5244.9 Ų44.934%0.33825%0.248SC..Hα-helixtrans-60.7-31.3176.6-24.736000114.5K890 L891 S897K890-P893 VanDerWaalsContact O-CD 3.23Å; K890-P893 WeakPolarHBondContact O-CD 3.44Å; L891-P893 VanDerWaalsContact C-N 3.3Å; P893-S897 WeakPolarHBondContact O-CB 3.23Å; P893-S897 PolarHBondContact O-N 3.45Å; P893-S897 VanDerWaalsContact O-N 3.07Å; P893-S897 PolarHBondContact O-OG 3.47Å
894M95.5Very high95.7Very high1 Ų148.2 Ų48.21%0.00526%0.261CS..Hα-helixtrans-63.9-49.3174.5-63.4178.272.700110.2I611 L675 M679 T821 Y881 L891 K892 D896 S897 V898I611-M894 HydrophobicContact CD1-CG 4.37Å; I611-M894 HydrophobicContact CG2-CG 3.37Å; I611-M894 HydrophobicContact CG2-SD 4.22Å; L675-M894 HydrophobicContact CD1-CE 3.83Å; L675-M894 HydrophobicContact CD1-SD 4.43Å; L675-M894 HydrophobicContact CD2-CE 3.9Å; L675-M894 HydrophobicContact CG-CE 4.21Å; M679-M894 HydrophobicContact CE-SD 4.4Å; M679-M894 HydrophobicContact CG-SD 4.39Å; M679-M894 HydrophobicContact SD-CE 4.21Å; M679-M894 HydrophobicContact SD-SD 4.32Å; T821-M894 HydrophobicContact CG2-CB 4.15Å; T821-M894 HydrophobicContact CG2-CE 3.89Å; Y881-M894 HydrophobicContact CD1-CE 4.14Å; Y881-M894 HydrophobicContact CE1-CE 3.64Å; L891-M894 HydrophobicContact CD2-SD 3.86Å; L891-M894 WeakPolarHBondContact O-CB 3.17Å; L891-M894 PolarHBondContact O-N 3.5Å; K892-M894 VanDerWaalsContact C-N 3.28Å; K892-M894 PolarHBondContact O-N 3.38Å; M894-D896 PolarHBondContact O-N 3.35Å; M894-S897 WeakPolarHBondContact O-CB 3.18Å; M894-S897 PolarHBondContact O-N 2.65Å; M894-S897 VanDerWaalsContact O-N 3.14Å; M894-V898 WeakPolarHBondContact O-CG2 3.4Å; M894-V898 PolarHBondContact O-N 3.47Å
895L96.6Very high95.8Very high24 Ų2448.8 Ų48.813%0.12626%0.262CS..Hα-helixtrans-63.5-38.5179.6179.763000112.6M878 Q882 V885 K892 S897 V898 A899M878-L895 HydrophobicContact SD-CD1 3.59Å; M878-L895 VanDerWaalsContact SD-CD1 3.59Å; Q882-L895 HydrophobicContact CG-CD1 3.75Å; Q882-L895 HydrophobicContact CG-CD2 4.06Å; V885-L895 HydrophobicContact CB-CD2 4.25Å; V885-L895 HydrophobicContact CG1-CD2 4.43Å; V885-L895 HydrophobicContact CG2-CB 3.85Å; V885-L895 HydrophobicContact CG2-CD2 3.96Å; K892-L895 PolarHBondContact O-N 3.16Å; K892-L895 VanDerWaalsContact O-N 3.17Å; L895-S897 VanDerWaalsContact C-N 3.32Å; L895-V898 PolarHBondContact O-N 3.37Å; L895-A899 PolarHBondContact O-N 3.45Å
896D96.8Very high95.8Very high80 Ų8050.1 Ų50.143%0.42827%0.267SS..Hα-helixtrans-63.2-38.7173.4-74.7-46.7000112.2K892 M894 A899 A900K892-D896 IonicContact NZ-OD1 2.56Å; K892-D896 PolarHBondContact NZ-OD1 2.98Å; K892-D896 IonicContact NZ-OD2 3.47Å; K892-D896 PolarHBondContact NZ-OD2 3.39Å; K892-D896 PolarHBondContact O-N 3.07Å; M894-D896 PolarHBondContact O-N 3.35Å; D896-A899 PolarHBondContact O-N 3.35Å; D896-A900 WeakPolarHBondContact O-CB 3.47Å; D896-A900 PolarHBondContact O-N 3.39Å
897S96Very high95.8Very high16 Ų1646.9 Ų46.911%0.11225%0.254CS..Hα-helixtrans-67-40.3177.5-52.30000111.5H612 T821 P893 M894 L895 A899 A900 N901H612-S897 PolarHBondContact NE2-OG 2.95Å; T821-S897 WeakPolarHBondContact O-CB 3.32Å; P893-S897 WeakPolarHBondContact O-CB 3.23Å; P893-S897 PolarHBondContact O-N 3.45Å; P893-S897 VanDerWaalsContact O-N 3.07Å; P893-S897 PolarHBondContact O-OG 3.47Å; M894-S897 WeakPolarHBondContact O-CB 3.18Å; M894-S897 PolarHBondContact O-N 2.65Å; M894-S897 VanDerWaalsContact O-N 3.14Å; L895-S897 VanDerWaalsContact C-N 3.32Å; S897-A899 PolarHBondContact O-N 2.91Å; S897-A900 PolarHBondContact O-N 3.32Å; S897-N901 WeakPolarHBondContact O-CB 3.35Å; S897-N901 VanDerWaalsContact O-CG 3.26Å; S897-N901 PolarHBondContact O-N 3.2Å; S897-N901 PolarHBondContact O-ND2 3.3Å
898V97.1Very high95.9Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-60.9-43.5172.1178.70000111.5V820 T821 I873 M878 Y881 M894 L895 N901 R902V820-V898 HydrophobicContact CG1-CG2 3.98Å; V820-V898 HydrophobicContact CG2-CG1 4.38Å; V820-V898 HydrophobicContact CG2-CG2 4.43Å; T821-V898 HydrophobicContact CG2-CG2 3.72Å; I873-V898 HydrophobicContact CG2-CG1 3.8Å; M878-V898 HydrophobicContact CE-CG1 3.84Å; M878-V898 HydrophobicContact SD-CG1 4.29Å; Y881-V898 HydrophobicContact CD2-CG2 3.79Å; Y881-V898 HydrophobicContact CE2-CG2 4.08Å; Y881-V898 HydrophobicContact CG-CG2 4.5Å; M894-V898 WeakPolarHBondContact O-CG2 3.4Å; M894-V898 PolarHBondContact O-N 3.47Å; L895-V898 PolarHBondContact O-N 3.37Å; V898-N901 PolarHBondContact O-N 3.41Å; V898-R902 VanDerWaalsContact O-CB 3.32Å; V898-R902 WeakPolarHBondContact O-CB 3.46Å; V898-R902 PolarHBondContact O-N 3.35Å
899A97.4Very high95.9Very high37 Ų3748 Ų4831%0.30626%0.258SS..Hα-helixtrans-65.7-37.9177.600000112.7M878 L895 D896 S897 S903M878-A899 HydrophobicContact CE-CB 4.49Å; L895-A899 PolarHBondContact O-N 3.45Å; D896-A899 PolarHBondContact O-N 3.35Å; S897-A899 PolarHBondContact O-N 2.91Å; A899-S903 PolarHBondContact O-N 3.48Å; A899-S903 VanDerWaalsContact O-N 3.08Å; A899-S903 PolarHBondContact O-OG 3.16Å
900A97.2Very high95.8Very high53 Ų5347 Ų4744%0.43825%0.246SC..Hα-helixtrans-65.4-46.817400000111.8D896 S897 S903 K904D896-A900 WeakPolarHBondContact O-CB 3.47Å; D896-A900 PolarHBondContact O-N 3.39Å; S897-A900 PolarHBondContact O-N 3.32Å; A900-S903 WeakPolarHBondContact O-CB 3.4Å; A900-S903 PolarHBondContact O-N 2.85Å; A900-K904 PolarHBondContact O-N 3.47Å; A900-K904 VanDerWaalsContact O-N 3.09Å
901N97.3Very high95.6Very high4 Ų447.6 Ų47.62%0.02125%0.248CC..Hα-helixtrans-64.1-41.6177.4-71.2-21.3000111.7V820 K822 W824 S827 S897 V898 S903 K904 W905V820-N901 PolarHBondContact O-ND2 3.26Å; K822-N901 PolarHBondContact O-ND2 2.92Å; W824-N901 VanDerWaalsContact CA-OD1 3.3Å; W824-N901 WeakPolarHBondContact CA-OD1 3.42Å; W824-N901 HydrophobicContact CE3-CB 4.42Å; S827-N901 PolarHBondContact OG-ND2 2.82Å; S897-N901 WeakPolarHBondContact O-CB 3.35Å; S897-N901 VanDerWaalsContact O-CG 3.26Å; S897-N901 PolarHBondContact O-N 3.2Å; S897-N901 PolarHBondContact O-ND2 3.3Å; V898-N901 PolarHBondContact O-N 3.41Å; N901-S903 VanDerWaalsContact C-N 3.3Å; N901-S903 PolarHBondContact O-N 3.15Å; N901-K904 PolarHBondContact O-N 3.36Å; N901-K904 VanDerWaalsContact O-N 3.14Å; N901-W905 VanDerWaalsContact O-CD1 3.25Å; N901-W905 PolarHBondContact O-N 2.79Å
902R97.5Very high95.3Very high65 Ų6550.7 Ų50.725%0.24526%0.26CS..Hα-helixtrans-55.6-45.5171.9-168.9-157178.2-69.2-7.9111.3L870 I873 D874 V898 K904 W905 E906L870-R902 HydrophobicContact CD2-CG 3.74Å; L870-R902 WeakPolarHBondContact CD2-O 3.38Å; I873-R902 HydrophobicContact CG2-CB 4.1Å; I873-R902 HydrophobicContact CG2-CG 4.1Å; D874-R902 WeakPolarHBondContact OD1-CD 3.37Å; D874-R902 IonicContact OD1-CZ 2.83Å; D874-R902 IonicContact OD1-NE 3.89Å; D874-R902 PolarHBondContact OD1-NE 3.1Å; D874-R902 IonicContact OD1-NH2 3.73Å; D874-R902 IonicContact OD2-CZ 3.16Å; D874-R902 IonicContact OD2-NE 3.04Å; D874-R902 PolarHBondContact OD2-NE 3.14Å; D874-R902 IonicContact OD2-NH2 2.74Å; D874-R902 PolarHBondContact OD2-NH2 3.2Å; V898-R902 VanDerWaalsContact O-CB 3.32Å; V898-R902 WeakPolarHBondContact O-CB 3.46Å; V898-R902 PolarHBondContact O-N 3.35Å; R902-K904 VanDerWaalsContact C-N 3.28Å; R902-K904 PolarHBondContact O-N 3.35Å; R902-W905 PolarHBondContact O-N 2.86Å; R902-E906 IonicContact NH1-OE2 3.41Å; R902-E906 PolarHBondContact NH1-OE2 3.13Å; R902-E906 IonicContact NH2-OE2 3.69Å; R902-E906 PolarHBondContact O-N 2.97Å
903S97.4Very high94.9Very high63 Ų6350.4 Ų50.444%0.44126%0.262SS..Hα-helixtrans-63-35.1179.1-55.90000112.1A899 A900 N901 E906 E907A899-S903 PolarHBondContact O-N 3.48Å; A899-S903 VanDerWaalsContact O-N 3.08Å; A899-S903 PolarHBondContact O-OG 3.16Å; A900-S903 WeakPolarHBondContact O-CB 3.4Å; A900-S903 PolarHBondContact O-N 2.85Å; N901-S903 VanDerWaalsContact C-N 3.3Å; N901-S903 PolarHBondContact O-N 3.15Å; S903-E906 WeakPolarHBondContact O-CB 3.45Å; S903-E906 PolarHBondContact O-N 2.94Å; S903-E907 PolarHBondContact O-N 3.4Å
904K97.1Very high94.4Very high78 Ų7853.5 Ų53.534%0.33928%0.275SS..Hα-helixtrans-71.9-36.8174.3-71.3-70.3168.2-143.20113.5W824 A900 N901 R902 E906 E907 L908W824-K904 HydrophobicContact CD2-CB 3.66Å; W824-K904 HydrophobicContact CD2-CG 3.87Å; W824-K904 HydrophobicContact CE3-CB 3.45Å; W824-K904 VanDerWaalsContact CE3-CB 3.45Å; W824-K904 HydrophobicContact CE3-CG 4.06Å; W824-K904 HydrophobicContact CG-CB 4.46Å; W824-K904 HydrophobicContact CG-CG 4.17Å; W824-K904 HydrophobicContact CH2-CB 3.72Å; W824-K904 HydrophobicContact CZ2-CB 3.9Å; W824-K904 HydrophobicContact CZ3-CB 3.47Å; W824-K904 VanDerWaalsContact CZ3-CB 3.47Å; A900-K904 PolarHBondContact O-N 3.47Å; A900-K904 VanDerWaalsContact O-N 3.09Å; N901-K904 PolarHBondContact O-N 3.36Å; N901-K904 VanDerWaalsContact O-N 3.14Å; R902-K904 VanDerWaalsContact C-N 3.28Å; R902-K904 PolarHBondContact O-N 3.35Å; K904-E906 VanDerWaalsContact C-N 3.34Å; K904-E907 IonicContact NZ-OE1 2.63Å; K904-E907 PolarHBondContact NZ-OE1 3.12Å; K904-E907 IonicContact NZ-OE2 2.7Å; K904-E907 PolarHBondContact NZ-OE2 3.09Å; K904-E907 PolarHBondContact O-N 2.95Å; K904-L908 WeakPolarHBondContact O-CG 3.39Å; K904-L908 PolarHBondContact O-N 3.34Å; K904-L908 VanDerWaalsContact O-N 3.16Å
905W96.5Very high93.6Very high12 Ų1256.4 Ų56.45%0.04530%0.299CS..Hα-helixtrans-65.2-36.8170.4-74.6118.3000112.5W824 A831 P866 Q869 L870 N901 R902 L908 H909W824-W905 AromaticContact CH2-CD2 3.98Å; W824-W905 HydrophobicContact CH2-CD2 3.98Å; W824-W905 AromaticContact CH2-CE2 3.92Å; W824-W905 HydrophobicContact CH2-CE3 4.32Å; W824-W905 HydrophobicContact CH2-CG 4.37Å; W824-W905 HydrophobicContact CH2-CZ2 4.21Å; W824-W905 AromaticContact CZ3-CD1 3.88Å; W824-W905 HydrophobicContact CZ3-CD2 4.09Å; W824-W905 AromaticContact CZ3-CE2 3.79Å; W824-W905 HydrophobicContact CZ3-CG 4.15Å; W824-W905 HydrophobicContact CZ3-CZ2 4.31Å; W824-W905 AromaticContact CZ3-NE1 3.66Å; A831-W905 HydrophobicContact CB-CH2 4.34Å; A831-W905 HydrophobicContact CB-CZ2 3.8Å; P866-W905 HydrophobicContact CB-CE3 4.04Å; P866-W905 HydrophobicContact CG-CE3 4.36Å; P866-W905 HydrophobicContact CG-CZ3 4.38Å; Q869-W905 HydrophobicContact CB-CD2 3.84Å; Q869-W905 HydrophobicContact CB-CE3 4.21Å; Q869-W905 HydrophobicContact CB-CG 4.07Å; Q869-W905 HydrophobicContact CB-CZ2 4.5Å; Q869-W905 HydrophobicContact CG-CD2 4.21Å; Q869-W905 HydrophobicContact CG-CE3 4.37Å; Q869-W905 HydrophobicContact CG-CH2 4.2Å; Q869-W905 HydrophobicContact CG-CZ2 4.01Å; Q869-W905 HydrophobicContact CG-CZ3 4.36Å; L870-W905 HydrophobicContact CD2-CB 3.91Å; L870-W905 HydrophobicContact CG-CB 4.05Å; N901-W905 VanDerWaalsContact O-CD1 3.25Å; N901-W905 PolarHBondContact O-N 2.79Å; R902-W905 PolarHBondContact O-N 2.86Å; W905-L908 HydrophobicContact CE3-CD1 3.77Å; W905-L908 HydrophobicContact CZ3-CD1 3.85Å; W905-L908 PolarHBondContact O-N 2.96Å; W905-H909 PolarHBondContact O-N 3.09Å
906E96.1Very high92.6Very high52 Ų5257.9 Ų57.924%0.24331%0.311CS..Hα-helixtrans-62.1-47.7172.6-170.370-121.900111.3L870 R902 S903 K904 L908 H909 Q910L870-E906 HydrophobicContact CD2-CB 4.28Å; R902-E906 IonicContact NH1-OE2 3.41Å; R902-E906 PolarHBondContact NH1-OE2 3.13Å; R902-E906 IonicContact NH2-OE2 3.69Å; R902-E906 PolarHBondContact O-N 2.97Å; S903-E906 WeakPolarHBondContact O-CB 3.45Å; S903-E906 PolarHBondContact O-N 2.94Å; K904-E906 VanDerWaalsContact C-N 3.34Å; E906-L908 VanDerWaalsContact C-N 3.25Å; E906-L908 PolarHBondContact O-N 3.09Å; E906-H909 PolarHBondContact O-N 3.36Å; E906-H909 VanDerWaalsContact O-N 3.1Å; E906-Q910 HydrophobicContact CG-CG 4.41Å; E906-Q910 WeakPolarHBondContact O-CG 3.46Å; E906-Q910 PolarHBondContact O-N 3.38Å; E906-Q910 PolarHBondContact OE1-NE2 2.91Å
907E95.3Very high91.2Very high81 Ų8158 Ų5838%0.37932%0.315SS..Hα-helixtrans-54.2-40.5173.9-77174.9-146.800112.6S903 K904 K911S903-E907 PolarHBondContact O-N 3.4Å; K904-E907 IonicContact NZ-OE1 2.63Å; K904-E907 PolarHBondContact NZ-OE1 3.12Å; K904-E907 IonicContact NZ-OE2 2.7Å; K904-E907 PolarHBondContact NZ-OE2 3.09Å; K904-E907 PolarHBondContact O-N 2.95Å; E907-K911 WeakPolarHBondContact O-CB 3.47Å; E907-K911 WeakPolarHBondContact O-CD 3.47Å; E907-K911 WeakPolarHBondContact O-CG 3.29Å; E907-K911 PolarHBondContact O-N 3.02Å; E907-K911 VanDerWaalsContact O-N 3.14Å
908L93.6Very high89.6Confident62 Ų6260.6 Ų60.633%0.32534%0.338SS..Hα-helixtrans-71.4-39.1177.2-68.3171.7000112.3W824 P866 K904 W905 E906 K911 R912W824-L908 HydrophobicContact CH2-CD1 3.75Å; W824-L908 HydrophobicContact CZ2-CD1 3.87Å; P866-L908 HydrophobicContact CB-CB 4.19Å; P866-L908 HydrophobicContact CG-CB 4.16Å; K904-L908 WeakPolarHBondContact O-CG 3.39Å; K904-L908 PolarHBondContact O-N 3.34Å; K904-L908 VanDerWaalsContact O-N 3.16Å; W905-L908 HydrophobicContact CE3-CD1 3.77Å; W905-L908 HydrophobicContact CZ3-CD1 3.85Å; W905-L908 PolarHBondContact O-N 2.96Å; E906-L908 VanDerWaalsContact C-N 3.25Å; E906-L908 PolarHBondContact O-N 3.09Å; L908-K911 PolarHBondContact O-N 3.1Å; L908-R912 PolarHBondContact O-N 3.38Å
909H93.1Very high87.7Confident27 Ų2765.4 Ų65.413%0.12537%0.371CS..Hα-helixtrans-63.8-47.4176.7-173.647.7000111.6P866 L870 W905 E906 K911 R912 L913P866-H909 HydrophobicContact CB-CB 4.01Å; L870-H909 HydrophobicContact CD1-CB 3.9Å; W905-H909 PolarHBondContact O-N 3.09Å; E906-H909 PolarHBondContact O-N 3.36Å; E906-H909 VanDerWaalsContact O-N 3.1Å; H909-K911 PolarHBondContact O-N 3.5Å; H909-R912 WeakPolarHBondContact O-CB 3.21Å; H909-R912 PolarHBondContact O-N 3.44Å; H909-R912 VanDerWaalsContact O-N 3.15Å; H909-L913 PolarHBondContact O-N 3.48Å; H909-L913 VanDerWaalsContact O-N 3.08Å
910Q92.3Very high85.5Confident88 Ų8867.8 Ų67.841%0.41139%0.385SS..Hα-helixtrans-63.1-39.9177.8-63.4-59.6-26.900112.1E906 R912 L913 L914E906-Q910 HydrophobicContact CG-CG 4.41Å; E906-Q910 WeakPolarHBondContact O-CG 3.46Å; E906-Q910 PolarHBondContact O-N 3.38Å; E906-Q910 PolarHBondContact OE1-NE2 2.91Å; Q910-R912 VanDerWaalsContact C-N 3.3Å; Q910-R912 PolarHBondContact O-N 3.31Å; Q910-L913 PolarHBondContact O-N 2.73Å; Q910-L914 WeakPolarHBondContact O-CG 3.36Å; Q910-L914 PolarHBondContact O-N 3.03Å
911K90.3Very high82.8Confident125 Ų12569.5 Ų69.554%0.54340%0.395SS..Hα-helixtrans-58.4-39.3173.2-77.4166.9-174167.20112.5E907 L908 H909 A915E907-K911 WeakPolarHBondContact O-CB 3.47Å; E907-K911 WeakPolarHBondContact O-CD 3.47Å; E907-K911 WeakPolarHBondContact O-CG 3.29Å; E907-K911 PolarHBondContact O-N 3.02Å; E907-K911 VanDerWaalsContact O-N 3.14Å; L908-K911 PolarHBondContact O-N 3.1Å; H909-K911 PolarHBondContact O-N 3.5Å; K911-A915 PolarHBondContact O-N 3.15Å
912R87.2Confident80.3Confident67 Ų6775.2 Ų75.225%0.25343%0.432SS..Hα-helixtrans-65.4-45.1174.1173.3176.6171.6-126.13.3112.1D863 L908 H909 Q910 L914 A915 S916D863-R912 WeakPolarHBondContact O-CD 3.41Å; D863-R912 PolarHBondContact O-NE 2.85Å; D863-R912 PolarHBondContact O-NH1 2.81Å; D863-R912 IonicContact OD1-NH2 3.35Å; D863-R912 IonicContact OD2-CZ 3.92Å; D863-R912 IonicContact OD2-NE 3.16Å; D863-R912 PolarHBondContact OD2-NE 3.11Å; D863-R912 IonicContact OD2-NH2 3.24Å; D863-R912 PolarHBondContact OD2-NH2 2.87Å; L908-R912 PolarHBondContact O-N 3.38Å; H909-R912 WeakPolarHBondContact O-CB 3.21Å; H909-R912 PolarHBondContact O-N 3.44Å; H909-R912 VanDerWaalsContact O-N 3.15Å; Q910-R912 VanDerWaalsContact C-N 3.3Å; Q910-R912 PolarHBondContact O-N 3.31Å; R912-L914 VanDerWaalsContact C-N 3.31Å; R912-L914 PolarHBondContact O-N 3.08Å; R912-A915 PolarHBondContact O-N 3.14Å; R912-A915 VanDerWaalsContact O-N 3.16Å; R912-S916 PolarHBondContact O-N 3.47Å; R912-S916 PolarHBondContact O-OG 3.31Å
913L87.2Confident77.7Confident71 Ų7176.7 Ų76.737%0.37246%0.458SS..Hα-helixtrans-59.3-44.3179-66.6176.4000111.2H909 Q910 A915 S916 T917H909-L913 PolarHBondContact O-N 3.48Å; H909-L913 VanDerWaalsContact O-N 3.08Å; Q910-L913 PolarHBondContact O-N 2.73Å; L913-A915 PolarHBondContact O-N 3.36Å; L913-S916 PolarHBondContact O-N 2.9Å; L913-S916 PolarHBondContact O-OG 2.99Å; L913-T917 PolarHBondContact O-N 3.26Å; L913-T917 VanDerWaalsContact O-N 3.08Å; L913-T917 PolarHBondContact O-OG1 3.36Å; L913-T917 VanDerWaalsContact O-OG1 3.13Å
914L85Confident74.9Confident118 Ų11878.9 Ų78.962%0.61847%0.473SS*.Hα-helixtrans-63.2-37.9174.7-67.7170.1000113.1Q910 R912 T917 A918Q910-L914 WeakPolarHBondContact O-CG 3.36Å; Q910-L914 PolarHBondContact O-N 3.03Å; R912-L914 VanDerWaalsContact C-N 3.31Å; R912-L914 PolarHBondContact O-N 3.08Å; L914-T917 PolarHBondContact O-OG1 2.8Å; L914-T917 VanDerWaalsContact O-OG1 3.12Å; L914-A918 WeakPolarHBondContact O-CB 3.47Å; L914-A918 PolarHBondContact O-N 2.93Å; L914-A918 VanDerWaalsContact O-N 3.07Å
915A79.6Confident72.3Confident61 Ų6181.5 Ų81.550%0.50450%0.496SS..Hα-helixtrans-66.6-39175.400000112.4K911 R912 L913 A918 S919K911-A915 PolarHBondContact O-N 3.15Å; R912-A915 PolarHBondContact O-N 3.14Å; R912-A915 VanDerWaalsContact O-N 3.16Å; L913-A915 PolarHBondContact O-N 3.36Å; A915-A918 PolarHBondContact O-N 2.66Å; A915-S919 PolarHBondContact O-N 3.47Å; A915-S919 VanDerWaalsContact O-N 3.14Å; A915-S919 PolarHBondContact O-OG 3.12Å
916S74.4Confident69.5Low56 Ų5689.4 Ų89.439%0.39254%0.535SS..Hα-helixtrans-73-29.2179.568.10000114.3R912 L913 S919 S920R912-S916 PolarHBondContact O-N 3.47Å; R912-S916 PolarHBondContact O-OG 3.31Å; L913-S916 PolarHBondContact O-N 2.9Å; L913-S916 PolarHBondContact O-OG 2.99Å; S916-S919 PolarHBondContact O-OG 3.43Å; S916-S919 VanDerWaalsContact O-OG 3.11Å; S916-S920 PolarHBondContact O-OG 3.14Å
917T68.4Low67Low81 Ų8192.7 Ų92.750%0.49756%0.558SS.*Hα-helixtrans-78.8-33.1172.951.10000111.9L913 L914 S920L913-T917 PolarHBondContact O-N 3.26Å; L913-T917 VanDerWaalsContact O-N 3.08Å; L913-T917 PolarHBondContact O-OG1 3.36Å; L913-T917 VanDerWaalsContact O-OG1 3.13Å; L914-T917 PolarHBondContact O-OG1 2.8Å; L914-T917 VanDerWaalsContact O-OG1 3.12Å; T917-S920 WeakPolarHBondContact CA-OG 3.3Å; T917-S920 PolarHBondContact O-N 2.99Å; T917-S920 PolarHBondContact O-OG 3.04Å
918A61Low64.1Low72 Ų7293.3 Ų93.360%0.59558%0.578SS**Hα-helixtrans-64.7-37.4172.100000112.7L914 A915 S920L914-A918 WeakPolarHBondContact O-CB 3.47Å; L914-A918 PolarHBondContact O-N 2.93Å; L914-A918 VanDerWaalsContact O-N 3.07Å; A915-A918 PolarHBondContact O-N 2.66Å; A918-S920 VanDerWaalsContact C-N 3.29Å; A918-S920 PolarHBondContact O-N 3.35Å
919S56.9Low61.8Low101 Ų10196.3 Ų96.371%0.70660%0.598SS**THydrogen-bonded Turntrans-77.8-6.517963.30000115.1A915 S916A915-S919 PolarHBondContact O-N 3.47Å; A915-S919 VanDerWaalsContact O-N 3.14Å; A915-S919 PolarHBondContact O-OG 3.12Å; S916-S919 PolarHBondContact O-OG 3.43Å; S916-S919 VanDerWaalsContact O-OG 3.11Å
920S52.1Low59.2Low86 Ų86104.1 Ų104.160%0.60164%0.635SS**THydrogen-bonded Turntrans-109.77.4-177.345.30000114.2S916 T917 A918S916-S920 PolarHBondContact O-OG 3.14Å; T917-S920 WeakPolarHBondContact CA-OG 3.3Å; T917-S920 PolarHBondContact O-N 2.99Å; T917-S920 PolarHBondContact O-OG 3.04Å; A918-S920 VanDerWaalsContact C-N 3.29Å; A918-S920 PolarHBondContact O-N 3.35Å
921S39.8Very low56.7Low90 Ų90107.8 Ų107.863%0.62966%0.658SS**SBendtrans-80.6126.8171.3-66.20000111.2
922P45.6Very low54.3Low123 Ų123113.5 Ų113.580%0.79968%0.676SS**PPolyproline II helixtrans-71.5134.5-179.428.8-33.8000111.3
923A42.8Very low51.8Low97 Ų97121.6 Ų121.680%0.80272%0.724SS**PPolyproline II helixtrans-59.3138.117300000110.8V925A923-V925 PolarHBondContact O-N 3.13Å
924S39.3Very low50Low108 Ų108124.2 Ų124.276%0.75574%0.742SS**PPolyproline II helixtrans-62.2123.4-175.742.90000112.3M926S924-M926 PolarHBondContact O-N 2.77Å
925V42.2Very low48.2Very low134 Ų134124.5 Ų124.581%0.81275%0.748SS**  trans-67.596.3163.6177.60000107.9A923 V927A923-V925 PolarHBondContact O-N 3.13Å; V925-V927 PolarHBondContact O-N 3.31Å
926M37.8Very low46.4Very low177 Ų177128 Ų12887%0.87276%0.762SS**  trans-74.6121.7162.2-91.7-169.8158.400108.9S924 A928S924-M926 PolarHBondContact O-N 2.77Å; M926-A928 PolarHBondContact O-N 3.45Å
927V42.5Very low44.8Very low121 Ų121132.2 Ų132.273%0.73378%0.784SS**  trans-68.9121.3-177.6174.60000110V925 T929V925-V927 PolarHBondContact O-N 3.31Å; V927-T929 HydrophobicContact CG1-CG2 4.03Å
928A35.9Very low43.3Very low95 Ų95135.4 Ų135.479%0.78580%0.802SS**  trans-94.8107.915800000108.3M926M926-A928 PolarHBondContact O-N 3.45Å
929T43.9Very low42.1Very low124 Ų124139.7 Ų139.776%0.76182%0.815SS**  trans-77.3117.5164.144.60000108.7V927V927-T929 HydrophobicContact CG1-CG2 4.03Å
930E38.2Very low41.1Very low191 Ų191142.4 Ų142.489%0.89382%0.823SS**  trans-119.3133.1161.7-86.7-171.7151.600110.3
931D41.3Very low40.2Very low166 Ų166146.8 Ų146.889%0.88884%0.84SS**  trans-71.8154.6-175.5-74.4-62.3000112.8
932R38.7Very low40.2Very low244 Ų244151.5 Ų151.592%0.92186%0.858SS**  trans-91.7104.3160.7-83.5-175.4169.7-171.9-2.7110.3
933N34.6Very low39.7Very low238 Ų238154.1 Ų154.1100%1.27386%0.863SS**  -165.50128.2-106.6-2.8000111.2

Retrieved 933 of 933 residues in 1869.5 ms (Link to these results)

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