A0A060VNB5_ONCMY Loading...

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform

AlphaFold DB , UniProt , Accession A0A060VNB5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110530052, Length 1,068 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
1M38.1Very low66.1Low144 Ų14452.3 Ų52.371%0.70928%0.281SS*.  0173.30-88.7174.2-176.700106.7A77 E127M1-A77 HydrophobicContact CE-CB 4.49Å; M1-A77 HydrophobicContact SD-CB 3.47Å; M1-A77 WeakPolarHBondContact SD-CB 3.49Å; M1-E127 WeakPolarHBondContact CA-OE1 3.31Å; M1-E127 WeakPolarHBondContact CB-OE1 3.42Å; M1-E127 PolarHBondContact N-OE1 2.68Å; M1-E127 PolarHBondContact N-OE2 3.09Å
2P46Very low67.6Low88 Ų8854 Ų5457%0.57132%0.321SS*.  trans-73.7147.6-178.526-27.8000111.3
3P55.2Low68.8Low36 Ų3655.8 Ų55.823%0.23433%0.325CS..SBendtrans-57.3161.7162.929.4-34.5000109.2K678P3-K678 VanDerWaalsContact CG-NZ 3.28Å
4R60.7Low69.6Low37 Ų3754 Ų5414%0.1431%0.312CS..  trans-45.2129.3-171.6-61.1-175-153.8126.424.4112.7S6 E76 E710R4-S6 VanDerWaalsContact C-N 3.26Å; R4-S6 PolarHBondContact O-N 2.95Å; R4-E76 HydrophobicContact CG-CG 3.78Å; R4-E76 IonicContact CZ-OE1 3.2Å; R4-E76 VanDerWaalsContact CZ-OE1 3.24Å; R4-E76 IonicContact NE-OE1 3.91Å; R4-E76 PolarHBondContact NE-OE1 3.25Å; R4-E76 IonicContact NH2-OE1 2.73Å; R4-E76 PolarHBondContact NH2-OE1 3.02Å; R4-E710 IonicContact NH1-OE1 3.77Å; R4-E710 PolarHBondContact NH1-OE1 3.22Å; R4-E710 IonicContact NH1-OE2 3.41Å; R4-E710 PolarHBondContact NH1-OE2 3.06Å
5P58.2Low70.6Confident83 Ų8352.7 Ų52.754%0.53930%0.303SS..SBendtrans-69.1-24.9175.5-25.339.5000113.3W11P5-W11 HydrophobicContact CB-CH2 4.12Å; P5-W11 HydrophobicContact CB-CZ3 3.85Å; P5-W11 HydrophobicContact CG-CH2 3.91Å; P5-W11 HydrophobicContact CG-CZ3 3.57Å
6S62.3Low71.9Confident40 Ų4049.8 Ų49.828%0.2829%0.286SS..  trans-160.4161.8175.459.90000109.3R4 G8R4-S6 VanDerWaalsContact C-N 3.26Å; R4-S6 PolarHBondContact O-N 2.95Å; S6-G8 VanDerWaalsContact C-N 3.33Å; S6-G8 PolarHBondContact O-N 2.88Å
7S66.1Low72.9Confident12 Ų1250.1 Ų50.18%0.08429%0.29CS..  trans-84.75.9-17839.30000115.1E710 I713 N714S7-E710 VanDerWaalsContact CB-OE2 3.24Å; S7-E710 WeakPolarHBondContact CB-OE2 3.43Å; S7-I713 WeakPolarHBondContact OG-CG2 3.36Å; S7-N714 VanDerWaalsContact CA-OD1 3.25Å; S7-N714 WeakPolarHBondContact CA-OD1 3.41Å; S7-N714 WeakPolarHBondContact CB-OD1 3.4Å; S7-N714 VanDerWaalsContact O-CG 3.26Å; S7-N714 PolarHBondContact O-ND2 3.47Å; S7-N714 PolarHBondContact O-OD1 3.27Å; S7-N714 VanDerWaalsContact OG-CG 3.25Å; S7-N714 PolarHBondContact OG-OD1 3.32Å
8G76.7Confident73.8Confident0 Ų052.5 Ų52.50%031%0.308CS..  trans-58.2163.8-171.200000116.8S6 H14 Q75 N714S6-G8 VanDerWaalsContact C-N 3.33Å; S6-G8 PolarHBondContact O-N 2.88Å; G8-H14 WeakPolarHBondContact CA-O 3.46Å; G8-Q75 PolarHBondContact O-NE2 3.17Å; G8-Q75 PolarHBondContact O-OE1 3.24Å; G8-N714 PolarHBondContact N-OD1 3.08Å
9E86.7Confident74.9Confident9 Ų952.2 Ų52.24%0.04231%0.309CS..SBendtrans-71.6-33.1-178.8-64.3-178.7176.800112.9M13 H14 L15 M16 R38 Q75 C90E9-M13 PolarHBondContact N-O 3.1Å; E9-H14 PolarHBondContact N-O 2.77Å; E9-L15 WeakPolarHBondContact OE1-CD2 3.31Å; E9-M16 HydrophobicContact CB-CE 4.33Å; E9-M16 HydrophobicContact CB-CG 3.84Å; E9-M16 VanDerWaalsContact O-CE 3.27Å; E9-M16 WeakPolarHBondContact O-CE 3.28Å; E9-M16 WeakPolarHBondContact OE2-CB 3.39Å; E9-M16 PolarHBondContact OE2-N 3.08Å; E9-R38 IonicContact OE1-CZ 3.89Å; E9-R38 IonicContact OE1-NE 2.68Å; E9-R38 PolarHBondContact OE1-NE 3.39Å; E9-R38 IonicContact OE1-NH2 3.14Å; E9-R38 PolarHBondContact OE1-NH2 3.25Å; E9-R38 IonicContact OE2-NE 2.69Å; E9-R38 PolarHBondContact OE2-NE 3.05Å; E9-Q75 PolarHBondContact O-NE2 2.65Å; E9-C90 HydrophobicContact CG-CB 4.23Å
10L89.5Confident75.9Confident12 Ų1250.5 Ų50.56%0.06330%0.298CS..BIsolated β-bridgetrans-137.7154.6177.2-166.175.1000110.6G12 M13 M16 I20 L94 A97L10-G12 PolarHBondContact O-N 3.1Å; L10-M13 HydrophobicContact CB-CB 4.26Å; L10-M13 HydrophobicContact CD2-SD 4.08Å; L10-M13 PolarHBondContact N-O 3.21Å; L10-M13 CarbonylContact O-C 3.59Å; L10-M13 PolarHBondContact O-N 3.18Å; L10-M16 HydrophobicContact CB-CE 4.09Å; L10-M16 HydrophobicContact CB-CG 4.26Å; L10-M16 HydrophobicContact CD1-CE 4Å; L10-I20 HydrophobicContact CD2-CD1 4.37Å; L10-L94 WeakPolarHBondContact CA-O 3.34Å; L10-L94 HydrophobicContact CD1-CB 3.82Å; L10-L94 WeakPolarHBondContact CD1-O 3.47Å; L10-A97 HydrophobicContact CD1-CB 4.49Å
11W88Confident76.9Confident114 Ų11452.9 Ų52.943%0.43231%0.308SS..THydrogen-bonded Turntrans-56.5125176.3179.8-107.2000112P5 M13 L94 F95P5-W11 HydrophobicContact CB-CH2 4.12Å; P5-W11 HydrophobicContact CB-CZ3 3.85Å; P5-W11 HydrophobicContact CG-CH2 3.91Å; P5-W11 HydrophobicContact CG-CZ3 3.57Å; W11-M13 PolarHBondContact O-N 3.17Å; W11-L94 PolarHBondContact N-O 2.9Å; W11-F95 HydrophobicContact CB-CD2 3.71Å; W11-F95 HydrophobicContact CB-CE2 3.95Å; W11-F95 HydrophobicContact CB-CG 4.42Å; W11-F95 WeakPolarHBondContact CB-O 3.36Å; W11-F95 AromaticContact CD1-CE2 3.72Å; W11-F95 HydrophobicContact CD2-CD2 4.21Å; W11-F95 AromaticContact CD2-CE2 3.83Å; W11-F95 HydrophobicContact CD2-CE2 3.83Å; W11-F95 AromaticContact CG-CD2 3.8Å; W11-F95 HydrophobicContact CG-CD2 3.8Å; W11-F95 AromaticContact CG-CE2 3.53Å; W11-F95 HydrophobicContact CG-CE2 3.53Å; W11-F95 HydrophobicContact CG-CZ 4.39Å
12G84.2Confident79.8Confident73 Ų7346 Ų4675%0.75327%0.274SS*.THydrogen-bonded Turntrans74.32.4-178.200000115L10L10-G12 PolarHBondContact O-N 3.1Å
13M83.1Confident82.3Confident77 Ų7745.2 Ų45.238%0.37926%0.264SS..BIsolated β-bridgetrans-133.1112.3176-60.2-178.665.800110.4E9 L10 W11 L15 P17E9-M13 PolarHBondContact N-O 3.1Å; L10-M13 HydrophobicContact CB-CB 4.26Å; L10-M13 HydrophobicContact CD2-SD 4.08Å; L10-M13 PolarHBondContact N-O 3.21Å; L10-M13 CarbonylContact O-C 3.59Å; L10-M13 PolarHBondContact O-N 3.18Å; W11-M13 PolarHBondContact O-N 3.17Å; M13-L15 PolarHBondContact O-N 2.96Å; M13-P17 HydrophobicContact CE-CG 3.98Å
14H79.8Confident84.3Confident31 Ų3143.5 Ų43.514%0.14425%0.253CS..SBendtrans-57.3-34.5176.5-75.6-60.6000112.6G8 E9 L718 Q721 E722G8-H14 WeakPolarHBondContact CA-O 3.46Å; E9-H14 PolarHBondContact N-O 2.77Å; H14-L718 HydrophobicContact CB-CD1 4.23Å; H14-L718 HydrophobicContact CB-CD2 3.47Å; H14-L718 VanDerWaalsContact CB-CD2 3.47Å; H14-L718 HydrophobicContact CB-CG 3.95Å; H14-Q721 PolarHBondContact NE2-OE1 2.91Å; H14-E722 IonicContact CD2-OE1 2.66Å
15L84.9Confident86.1Confident35 Ų3544.2 Ų44.218%0.18326%0.26CS..SBendtrans-140.1129.5-176.9-122.6148.6000110.1E9 M13 L718E9-L15 WeakPolarHBondContact OE1-CD2 3.31Å; M13-L15 PolarHBondContact O-N 2.96Å; L15-L718 HydrophobicContact CD1-CD1 3.74Å
16M90.1Very high88Confident5 Ų540.7 Ų40.73%0.02524%0.237CC..  trans-65.9149.1172.5-67.7-175.5-169.800109.8E9 L10 I20 R38 L89E9-M16 HydrophobicContact CB-CE 4.33Å; E9-M16 HydrophobicContact CB-CG 3.84Å; E9-M16 VanDerWaalsContact O-CE 3.27Å; E9-M16 WeakPolarHBondContact O-CE 3.28Å; E9-M16 WeakPolarHBondContact OE2-CB 3.39Å; E9-M16 PolarHBondContact OE2-N 3.08Å; L10-M16 HydrophobicContact CB-CE 4.09Å; L10-M16 HydrophobicContact CB-CG 4.26Å; L10-M16 HydrophobicContact CD1-CE 4Å; M16-I20 HydrophobicContact CB-CD1 4.48Å; M16-I20 HydrophobicContact CG-CD1 4.21Å; M16-I20 HydrophobicContact SD-CD1 4.1Å; M16-R38 HydrophobicContact CB-CG 4.45Å; M16-L89 HydrophobicContact SD-CG 4.28Å
17P90Very high89.6Confident55 Ų5541.8 Ų41.836%0.35724%0.242SC..  trans-63.5158.4169.8-13.328.3000110.6M13 S19 R38M13-P17 HydrophobicContact CE-CG 3.98Å; P17-S19 PolarHBondContact O-N 3.36Å; P17-S19 VanDerWaalsContact O-N 3.15Å; P17-R38 WeakPolarHBondContact O-CB 3.36Å
18P89.2Confident91Very high94 Ų9442.4 Ų42.461%0.6125%0.245SC*.SBendtrans-56.2-32.2-179.9-26.235000114.4T37 R38P18-T37 WeakPolarHBondContact O-CA 3.31Å; P18-R38 PolarHBondContact O-N 3.08Å
19S93.8Very high91.9Very high46 Ų4645.5 Ų45.532%0.32228%0.277SS..EExtended strand (participates in β ladder)trans-122.4136.6170.5-1730000109.1P17 E35 C36P17-S19 PolarHBondContact O-N 3.36Å; P17-S19 VanDerWaalsContact O-N 3.15Å; S19-E35 VanDerWaalsContact OG-CD 3.31Å; S19-E35 WeakPolarHBondContact OG-CG 3.35Å; S19-E35 PolarHBondContact OG-OE1 2.67Å; S19-C36 WeakPolarHBondContact CA-O 3.44Å
20I96Very high92.3Very high19 Ų1947.3 Ų47.310%0.09729%0.286CS..EExtended strand (participates in β ladder)trans-138.9138.4-178.2-169.7167.5000110.4L10 M16 V22 C36 L89 A97L10-I20 HydrophobicContact CD2-CD1 4.37Å; M16-I20 HydrophobicContact CB-CD1 4.48Å; M16-I20 HydrophobicContact CG-CD1 4.21Å; M16-I20 HydrophobicContact SD-CD1 4.1Å; I20-V22 HydrophobicContact CG2-CG2 4.08Å; I20-C36 PolarHBondContact N-O 3Å; I20-C36 PolarHBondContact O-N 3.15Å; I20-L89 HydrophobicContact CG2-CD2 3.57Å; I20-A97 HydrophobicContact CD1-CB 3.77Å; I20-A97 HydrophobicContact CG1-CB 4.17Å
21M97.3Very high92.7Very high101 Ų10151.5 Ų51.550%0.49831%0.307SS..EExtended strand (participates in β ladder)trans-78.3125.6172-59.9-55.5-67.500109.2T33 L34 E35M21-T33 HydrophobicContact CB-CG2 3.79Å; M21-T33 HydrophobicContact CE-CG2 3.46Å; M21-T33 VanDerWaalsContact CE-CG2 3.46Å; M21-T33 HydrophobicContact CG-CG2 4.48Å; M21-L34 WeakPolarHBondContact CA-O 3.18Å; M21-E35 HydrophobicContact CE-CB 4.26Å; M21-E35 HydrophobicContact SD-CB 3.65Å; M21-E35 HydrophobicContact SD-CG 3.9Å
22V97.6Very high93.1Very high0 Ų046.2 Ų46.20%029%0.288CS..EExtended strand (participates in β ladder)trans-117.4119.8179.8-175.30000110I20 C24 L34 C36 L89 A97 L99I20-V22 HydrophobicContact CG2-CG2 4.08Å; V22-C24 PolarHBondContact O-N 3.45Å; V22-L34 PolarHBondContact N-O 3.45Å; V22-L34 PolarHBondContact O-N 2.91Å; V22-C36 HydrophobicContact CG2-CB 4.06Å; V22-L89 HydrophobicContact CG2-CD1 4.49Å; V22-L89 HydrophobicContact CG2-CD2 3.68Å; V22-A97 WeakPolarHBondContact CA-O 3.48Å; V22-L99 HydrophobicContact CG1-CB 4.5Å; V22-L99 HydrophobicContact CG1-CD1 4.15Å; V22-L99 HydrophobicContact CG1-CG 3.99Å
23D98.1Very high93.7Very high70 Ų7046 Ų4637%0.37427%0.272SS..EExtended strand (participates in β ladder)trans-78.2118.3175.6-73.7-31.2000110.9I31 T33 A97 F98 L99D23-I31 HydrophobicContact CB-CG2 4.42Å; D23-T33 WeakPolarHBondContact OD1-CB 3.46Å; D23-T33 WeakPolarHBondContact OD1-CG2 3.4Å; D23-T33 PolarHBondContact OD1-OG1 3.48Å; D23-A97 PolarHBondContact N-O 2.96Å; D23-F98 HydrophobicContact CB-CB 4.03Å; D23-F98 CarbonylContact O-C 3.59Å; D23-F98 WeakPolarHBondContact O-CA 3.46Å; D23-F98 VanDerWaalsContact O-CB 3.27Å; D23-F98 WeakPolarHBondContact O-CB 3.18Å; D23-L99 PolarHBondContact O-N 2.82Å
24C98.1Very high94.3Very high0 Ų043.5 Ų43.50%026%0.26CS..EExtended strand (participates in β ladder)trans-105112.7-177.7-630000110.6V22 I31 L32 L49 L99V22-C24 PolarHBondContact O-N 3.45Å; C24-I31 WeakPolarHBondContact O-CA 3.49Å; C24-L32 WeakPolarHBondContact CA-O 3.22Å; C24-L32 HydrophobicContact CB-CB 4.47Å; C24-L32 WeakPolarHBondContact CB-O 3.38Å; C24-L32 PolarHBondContact N-O 2.99Å; C24-L32 PolarHBondContact O-N 3.41Å; C24-L49 HydrophobicContact CB-CD1 3.36Å; C24-L49 HydrophobicContact CB-CD2 3.69Å; C24-L49 HydrophobicContact CB-CG 4.16Å; C24-L99 CarbonylContact C-O 3.52Å; C24-L99 VanDerWaalsContact CA-O 3.25Å; C24-L99 WeakPolarHBondContact CA-O 3.07Å
25L98.1Very high95.1Very high52 Ų5248.4 Ų48.427%0.27228%0.283SS..EExtended strand (participates in β ladder)trans-91.6105.5-179.4-53.8172.1000109.6I31 F98 L99 K100 V101L25-I31 HydrophobicContact CD2-CB 4.3Å; L25-I31 HydrophobicContact CD2-CD1 3.68Å; L25-I31 HydrophobicContact CD2-CG1 3.6Å; L25-I31 HydrophobicContact CD2-CG2 4.02Å; L25-F98 HydrophobicContact CD1-CD2 3.81Å; L25-F98 HydrophobicContact CD1-CE2 4.1Å; L25-F98 HydrophobicContact CG-CD2 4.5Å; L25-L99 PolarHBondContact N-O 3.36Å; L25-K100 HydrophobicContact CB-CB 4.02Å; L25-K100 HydrophobicContact CB-CG 4.01Å; L25-K100 HydrophobicContact CD1-CB 4.16Å; L25-V101 PolarHBondContact O-N 3.11Å
26L97.6Very high95.7Very high10 Ų1047.2 Ų47.25%0.05228%0.277CS..  trans-82.2153.2-177.4-67.5-179.8000112.5N28 G29 M30 L32 L49 A53 L62 V101L26-N28 WeakPolarHBondContact CB-OD1 3.43Å; L26-N28 PolarHBondContact O-N 3.46Å; L26-G29 PolarHBondContact O-N 3.26Å; L26-M30 HydrophobicContact CB-CB 4.36Å; L26-M30 HydrophobicContact CD1-CB 4.23Å; L26-M30 PolarHBondContact N-O 3.09Å; L26-L32 HydrophobicContact CD1-CD1 3.48Å; L26-L32 VanDerWaalsContact CD1-CD1 3.48Å; L26-L32 HydrophobicContact CD1-CD2 4.2Å; L26-L32 HydrophobicContact CD1-CG 4.43Å; L26-L32 HydrophobicContact CG-CD1 4.17Å; L26-L49 HydrophobicContact CD2-CD1 4.25Å; L26-L49 HydrophobicContact CD2-CD2 4.08Å; L26-L49 HydrophobicContact CD2-CG 4.18Å; L26-A53 HydrophobicContact CD1-CB 3.83Å; L26-L62 HydrophobicContact CB-CD2 4.44Å; L26-L62 HydrophobicContact CD1-CD1 4.17Å; L26-V101 HydrophobicContact CD2-CB 4.46Å; L26-V101 HydrophobicContact CD2-CG2 3.98Å
27P96.6Very high95.9Very high62 Ų6250.6 Ų50.640%0.40330%0.298SS..THydrogen-bonded Turntrans-67.2-19.2-177.628.2-36.5000113.3G29 L62 Y68 V101P27-G29 PolarHBondContact O-N 2.91Å; P27-L62 HydrophobicContact CG-CD2 3.59Å; P27-Y68 HydrophobicContact CB-CE1 4.31Å; P27-Y68 HydrophobicContact CG-CD1 4.48Å; P27-Y68 HydrophobicContact CG-CE1 3.77Å; P27-V101 HydrophobicContact CG-CG1 4.36Å
28N96Very high96Very high25 Ų2548 Ų4813%0.13428%0.281CS..THydrogen-bonded Turntrans-81.46.217467.2-3.5000113.7L26 M30 L58 L61 L62L26-N28 WeakPolarHBondContact CB-OD1 3.43Å; L26-N28 PolarHBondContact O-N 3.46Å; N28-M30 WeakPolarHBondContact OD1-CB 3.46Å; N28-M30 WeakPolarHBondContact OD1-CG 3.43Å; N28-M30 PolarHBondContact OD1-N 2.94Å; N28-L58 HydrophobicContact CB-CB 4.33Å; N28-L58 PolarHBondContact ND2-O 3Å; N28-L61 HydrophobicContact CB-CB 4.08Å; N28-L61 HydrophobicContact CB-CD1 4.39Å; N28-L62 HydrophobicContact CB-CD2 4.05Å
29G94.6Very high96.1Very high66 Ų6646.2 Ų46.268%0.6827%0.265SS*.SBendtrans88.30.8177.600000115.3L26 P27L26-G29 PolarHBondContact O-N 3.26Å; P27-G29 PolarHBondContact O-N 2.91Å
30M96.5Very high96.2Very high46 Ų4644.6 Ų44.623%0.22726%0.255CS..  trans-81.5148.2177.8-64.7-63.1-60.400112.1L26 N28 L32 Y56 P57L26-M30 HydrophobicContact CB-CB 4.36Å; L26-M30 HydrophobicContact CD1-CB 4.23Å; L26-M30 PolarHBondContact N-O 3.09Å; N28-M30 WeakPolarHBondContact OD1-CB 3.46Å; N28-M30 WeakPolarHBondContact OD1-CG 3.43Å; N28-M30 PolarHBondContact OD1-N 2.94Å; M30-L32 HydrophobicContact CB-CD1 3.86Å; M30-Y56 HydrophobicContact CE-CD1 3.83Å; M30-P57 HydrophobicContact CE-CG 4.41Å
31I97.2Very high96.2Very high100 Ų10045.8 Ų45.851%0.51326%0.263SS..EExtended strand (participates in β ladder)trans-113.3125.7170.4-50.9-173.3000108.1D23 C24 L25D23-I31 HydrophobicContact CB-CG2 4.42Å; C24-I31 WeakPolarHBondContact O-CA 3.49Å; L25-I31 HydrophobicContact CD2-CB 4.3Å; L25-I31 HydrophobicContact CD2-CD1 3.68Å; L25-I31 HydrophobicContact CD2-CG1 3.6Å; L25-I31 HydrophobicContact CD2-CG2 4.02Å
32L96.5Very high96.2Very high3 Ų341 Ų412%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-121.6127.3176.8-81.570.4000109.2C24 L26 M30 L49 E52 A53 Y56C24-L32 WeakPolarHBondContact CA-O 3.22Å; C24-L32 HydrophobicContact CB-CB 4.47Å; C24-L32 WeakPolarHBondContact CB-O 3.38Å; C24-L32 PolarHBondContact N-O 2.99Å; C24-L32 PolarHBondContact O-N 3.41Å; L26-L32 HydrophobicContact CD1-CD1 3.48Å; L26-L32 VanDerWaalsContact CD1-CD1 3.48Å; L26-L32 HydrophobicContact CD1-CD2 4.2Å; L26-L32 HydrophobicContact CD1-CG 4.43Å; L26-L32 HydrophobicContact CG-CD1 4.17Å; M30-L32 HydrophobicContact CB-CD1 3.86Å; L32-L49 HydrophobicContact CB-CD1 4.17Å; L32-L49 HydrophobicContact CD2-CD1 4.14Å; L32-E52 HydrophobicContact CD2-CG 4.46Å; L32-A53 HydrophobicContact CD2-CB 4.13Å; L32-Y56 HydrophobicContact CD1-CD1 3.9Å; L32-Y56 HydrophobicContact CD1-CD2 4.28Å; L32-Y56 HydrophobicContact CD1-CE1 4.21Å; L32-Y56 HydrophobicContact CD1-CG 3.93Å; L32-Y56 HydrophobicContact CD2-CD2 3.53Å; L32-Y56 HydrophobicContact CD2-CE2 3.62Å; L32-Y56 HydrophobicContact CD2-CG 4.03Å; L32-Y56 HydrophobicContact CG-CD1 3.99Å; L32-Y56 HydrophobicContact CG-CD2 3.83Å; L32-Y56 HydrophobicContact CG-CE1 3.89Å; L32-Y56 HydrophobicContact CG-CE2 3.73Å; L32-Y56 HydrophobicContact CG-CG 3.96Å
33T96.6Very high96.1Very high70 Ų7045.2 Ų45.243%0.42926%0.261SS..EExtended strand (participates in β ladder)trans-93.3118.8173.1-47.40000109.2M21 D23M21-T33 HydrophobicContact CB-CG2 3.79Å; M21-T33 HydrophobicContact CE-CG2 3.46Å; M21-T33 VanDerWaalsContact CE-CG2 3.46Å; M21-T33 HydrophobicContact CG-CG2 4.48Å; D23-T33 WeakPolarHBondContact OD1-CB 3.46Å; D23-T33 WeakPolarHBondContact OD1-CG2 3.4Å; D23-T33 PolarHBondContact OD1-OG1 3.48Å
34L96.7Very high96.1Very high23 Ų2344.2 Ų44.212%0.1226%0.259CS..EExtended strand (participates in β ladder)trans-107.1132.6179.9-170.266.6000109.9M21 V22 C36 V45 E48 L49M21-L34 WeakPolarHBondContact CA-O 3.18Å; V22-L34 PolarHBondContact N-O 3.45Å; V22-L34 PolarHBondContact O-N 2.91Å; L34-C36 PolarHBondContact O-N 2.95Å; L34-V45 HydrophobicContact CD2-CG1 4.27Å; L34-E48 HydrophobicContact CD2-CB 4.26Å; L34-L49 HydrophobicContact CD2-CB 4.37Å
35E96.8Very high96Very high135 Ų13544.3 Ų44.363%0.63126%0.26SS*.EExtended strand (participates in β ladder)trans-80.5115.7168.5-171.8176.7-17500109S19 M21S19-E35 VanDerWaalsContact OG-CD 3.31Å; S19-E35 WeakPolarHBondContact OG-CG 3.35Å; S19-E35 PolarHBondContact OG-OE1 2.67Å; M21-E35 HydrophobicContact CE-CB 4.26Å; M21-E35 HydrophobicContact SD-CB 3.65Å; M21-E35 HydrophobicContact SD-CG 3.9Å
36C96.1Very high96Very high9 Ų942.6 Ų42.66%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-118.7145-176.9-65.30000110.3S19 I20 V22 L34 L89S19-C36 WeakPolarHBondContact CA-O 3.44Å; I20-C36 PolarHBondContact N-O 3Å; I20-C36 PolarHBondContact O-N 3.15Å; V22-C36 HydrophobicContact CG2-CB 4.06Å; L34-C36 PolarHBondContact O-N 2.95Å; C36-L89 HydrophobicContact CB-CD2 4.17Å
37T95Very high96Very high76 Ų7646.7 Ų46.747%0.46627%0.269SS..EExtended strand (participates in β ladder)trans-71.5146.4164.160.80000110.1P18 E39 A40P18-T37 WeakPolarHBondContact O-CA 3.31Å; T37-E39 PolarHBondContact O-N 3.2Å; T37-A40 VanDerWaalsContact O-CB 3.24Å; T37-A40 WeakPolarHBondContact O-CB 3.28Å; T37-A40 PolarHBondContact O-N 3.22Å; T37-A40 VanDerWaalsContact O-N 3.09Å; T37-A40 PolarHBondContact OG1-N 3.39Å
38R92.3Very high96Very high0 Ų047.7 Ų47.70%027%0.268CS..THydrogen-bonded Turntrans-51-39.1175.9152.2-176.1-176.3-95.7-6.1112.9E9 M16 P17 P18 C90 R741 D743E9-R38 IonicContact OE1-CZ 3.89Å; E9-R38 IonicContact OE1-NE 2.68Å; E9-R38 PolarHBondContact OE1-NE 3.39Å; E9-R38 IonicContact OE1-NH2 3.14Å; E9-R38 PolarHBondContact OE1-NH2 3.25Å; E9-R38 IonicContact OE2-NE 2.69Å; E9-R38 PolarHBondContact OE2-NE 3.05Å; M16-R38 HydrophobicContact CB-CG 4.45Å; P17-R38 WeakPolarHBondContact O-CB 3.36Å; P18-R38 PolarHBondContact O-N 3.08Å; R38-C90 HydrophobicContact CG-CB 3.87Å; R38-C90 PolarHBondContact O-N 3.1Å; R38-R741 VanDerWaalsContact CZ-NH1 3.27Å; R38-D743 IonicContact CZ-OD1 2.88Å; R38-D743 IonicContact CZ-OD2 3.88Å; R38-D743 IonicContact NH1-OD1 3.55Å; R38-D743 PolarHBondContact NH1-OD1 3.2Å; R38-D743 IonicContact NH2-OD1 3.18Å; R38-D743 PolarHBondContact NH2-OD1 3.29Å; R38-D743 IonicContact NH2-OD2 3.81Å; R38-D743 PolarHBondContact NH2-OD2 3.13Å
39E91.7Very high96Very high57 Ų5746.5 Ų46.527%0.26626%0.262SS..THydrogen-bonded Turntrans-90.61.4-175.5-53.977.6-169.700113.5T37 T41 R88T37-E39 PolarHBondContact O-N 3.2Å; E39-T41 PolarHBondContact O-N 2.73Å; E39-R88 WeakPolarHBondContact O-CD 3.19Å; E39-R88 WeakPolarHBondContact O-CG 3.36Å
40A94.4Very high96.2Very high13 Ų1344.3 Ų44.311%0.10723%0.234CC..  trans-60.9135.7179.500000111.2T37 V45 R88 L89T37-A40 VanDerWaalsContact O-CB 3.24Å; T37-A40 WeakPolarHBondContact O-CB 3.28Å; T37-A40 PolarHBondContact O-N 3.22Å; T37-A40 VanDerWaalsContact O-N 3.09Å; T37-A40 PolarHBondContact OG1-N 3.39Å; A40-V45 HydrophobicContact CB-CG2 3.78Å; A40-R88 CarbonylContact O-C 3.52Å; A40-R88 VanDerWaalsContact O-CA 3.3Å; A40-R88 WeakPolarHBondContact O-CA 3.38Å; A40-L89 PolarHBondContact O-N 2.9Å
41T96.1Very high96.2Very high44 Ų4447.1 Ų47.127%0.2724%0.244SC..BIsolated β-bridgetrans-77.2152.5173.464.20000110.5E39 I43 S44 V45 T86 R87 R88E39-T41 PolarHBondContact O-N 2.73Å; T41-I43 PolarHBondContact O-N 2.88Å; T41-S44 PolarHBondContact N-OG 3.33Å; T41-S44 VanDerWaalsContact N-OG 3.12Å; T41-S44 PolarHBondContact O-N 2.84Å; T41-S44 PolarHBondContact O-OG 2.98Å; T41-S44 PolarHBondContact OG1-N 2.98Å; T41-S44 PolarHBondContact OG1-OG 3.22Å; T41-V45 WeakPolarHBondContact O-CG2 3.33Å; T41-V45 PolarHBondContact O-N 3.44Å; T41-T86 WeakPolarHBondContact CG2-O 3.47Å; T41-R87 CarbonylContact C-O 3.58Å; T41-R87 VanDerWaalsContact CA-O 3.32Å; T41-R87 WeakPolarHBondContact CA-O 3.27Å; T41-R88 HydrophobicContact CG2-CG 4.41Å
42L97.3Very high96.1Very high0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-58.6-32.2176.4-72.7178.9000112.7V45 K46 F70 F82 E85 R87 L92 L99L42-V45 PolarHBondContact O-N 2.69Å; L42-K46 VanDerWaalsContact O-CB 3.28Å; L42-K46 WeakPolarHBondContact O-CB 3.25Å; L42-K46 PolarHBondContact O-N 3.26Å; L42-F70 HydrophobicContact CB-CD2 4.21Å; L42-F70 HydrophobicContact CD2-CD2 3.74Å; L42-F70 HydrophobicContact CD2-CE2 4.16Å; L42-F70 HydrophobicContact CG-CD2 4.41Å; L42-F82 HydrophobicContact CD1-CB 3.46Å; L42-F82 VanDerWaalsContact CD1-CB 3.46Å; L42-F82 HydrophobicContact CD1-CD1 4.48Å; L42-F82 HydrophobicContact CD1-CD2 4.31Å; L42-F82 HydrophobicContact CD1-CG 3.86Å; L42-E85 HydrophobicContact CB-CB 3.93Å; L42-E85 HydrophobicContact CB-CG 4.42Å; L42-E85 WeakPolarHBondContact CB-O 3.37Å; L42-E85 PolarHBondContact N-O 3.33Å; L42-R87 PolarHBondContact N-O 3.21Å; L42-L92 HydrophobicContact CD1-CD1 4.03Å; L42-L92 HydrophobicContact CD1-CD2 4Å; L42-L92 HydrophobicContact CD2-CD1 3.61Å; L42-L92 HydrophobicContact CG-CD1 4.02Å; L42-L92 HydrophobicContact CG-CD2 4.47Å; L42-L99 HydrophobicContact CD2-CD1 3.89Å; L42-L99 HydrophobicContact CD2-CD2 4.4Å
43I96.9Very high96.1Very high88 Ų8844.8 Ų44.845%0.45123%0.232SC..Hα-helixtrans-57-50.7170.8-68.3159.9000110.8T41 K46 H47 E85 T86T41-I43 PolarHBondContact O-N 2.88Å; I43-K46 PolarHBondContact O-N 2.93Å; I43-H47 WeakPolarHBondContact O-CB 3.35Å; I43-H47 PolarHBondContact O-N 2.72Å; I43-E85 HydrophobicContact CD1-CB 4.38Å; I43-E85 HydrophobicContact CG1-CB 3.61Å; I43-E85 WeakPolarHBondContact CG1-O 3.45Å; I43-E85 PolarHBondContact N-O 3.39Å; I43-T86 HydrophobicContact CD1-CG2 4.09Å
44S96.3Very high96Very high49 Ų4950.4 Ų50.434%0.34325%0.245SC..Hα-helixtrans-65.4-41.3-179.167.30000112.3T41 H47 E48T41-S44 PolarHBondContact N-OG 3.33Å; T41-S44 VanDerWaalsContact N-OG 3.12Å; T41-S44 PolarHBondContact O-N 2.84Å; T41-S44 PolarHBondContact O-OG 2.98Å; T41-S44 PolarHBondContact OG1-N 2.98Å; T41-S44 PolarHBondContact OG1-OG 3.22Å; S44-H47 PolarHBondContact O-N 2.95Å; S44-E48 PolarHBondContact O-N 3.43Å; S44-E48 VanDerWaalsContact O-N 3.09Å
45V97.3Very high96Very high3 Ų356.4 Ų56.42%0.01827%0.27CS..Hα-helixtrans-63.7-43.8176.8175.40000110.7L34 A40 T41 L42 L49 F70 L99L34-V45 HydrophobicContact CD2-CG1 4.27Å; A40-V45 HydrophobicContact CB-CG2 3.78Å; T41-V45 WeakPolarHBondContact O-CG2 3.33Å; T41-V45 PolarHBondContact O-N 3.44Å; L42-V45 PolarHBondContact O-N 2.69Å; V45-L49 WeakPolarHBondContact O-CB 3.42Å; V45-L49 PolarHBondContact O-N 2.96Å; V45-F70 HydrophobicContact CB-CE2 4.5Å; V45-F70 HydrophobicContact CG1-CE2 4.29Å; V45-F70 HydrophobicContact CG1-CZ 4.13Å; V45-L99 HydrophobicContact CG1-CD1 3.92Å
46K97.6Very high95.8Very high16 Ų1653.8 Ų53.87%0.0726%0.255CS..Hα-helixtrans-63.1-45.5177.8-165.4166.463.1176.10111.3L42 I43 L49 F50 E65 Y68 F70 E85L42-K46 VanDerWaalsContact O-CB 3.28Å; L42-K46 WeakPolarHBondContact O-CB 3.25Å; L42-K46 PolarHBondContact O-N 3.26Å; I43-K46 PolarHBondContact O-N 2.93Å; K46-L49 WeakPolarHBondContact O-CB 3.42Å; K46-L49 PolarHBondContact O-N 2.67Å; K46-F50 HydrophobicContact CD-CE2 4.35Å; K46-F50 HydrophobicContact CG-CD2 3.78Å; K46-F50 HydrophobicContact CG-CE2 3.81Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 3.12Å; K46-E65 WeakPolarHBondContact CE-O 2.86Å; K46-E65 PolarHBondContact NZ-O 3.05Å; K46-Y68 PolarHBondContact NZ-O 3.44Å; K46-F70 HydrophobicContact CB-CE2 3.58Å; K46-F70 HydrophobicContact CB-CZ 3.83Å; K46-F70 HydrophobicContact CD-CE2 4.42Å; K46-F70 HydrophobicContact CG-CE2 4.12Å; K46-F70 HydrophobicContact CG-CZ 4.11Å; K46-E85 WeakPolarHBondContact CE-OE1 3.32Å; K46-E85 VanDerWaalsContact CE-OE2 3.31Å; K46-E85 WeakPolarHBondContact CE-OE2 3.3Å; K46-E85 IonicContact NZ-OE1 3.36Å; K46-E85 PolarHBondContact NZ-OE1 2.64Å; K46-E85 IonicContact NZ-OE2 2.65Å; K46-E85 PolarHBondContact NZ-OE2 3.45Å
47H97.1Very high95.7Very high96 Ų9657.3 Ų57.344%0.44428%0.278SS..Hα-helixtrans-61.3-48.2-179.4-171.867.1000112.5I43 S44 F50 K51 E65I43-H47 WeakPolarHBondContact O-CB 3.35Å; I43-H47 PolarHBondContact O-N 2.72Å; S44-H47 PolarHBondContact O-N 2.95Å; H47-F50 PolarHBondContact O-N 3.39Å; H47-K51 WeakPolarHBondContact O-CB 3.36Å; H47-K51 PolarHBondContact O-N 3.48Å; H47-K51 VanDerWaalsContact O-N 3.11Å; H47-E65 IonicContact ND1-OE1 2.69Å; H47-E65 IonicContact ND1-OE2 2.64Å; H47-E65 PolarHBondContact ND1-OE2 3.39Å
48E96.7Very high95.7Very high82 Ų8257.4 Ų57.438%0.38328%0.276SS..Hα-helixtrans-66.6-36.9176.3-73.4-61.9147.400111.8L34 S44 K51 E52L34-E48 HydrophobicContact CD2-CB 4.26Å; S44-E48 PolarHBondContact O-N 3.43Å; S44-E48 VanDerWaalsContact O-N 3.09Å; E48-K51 PolarHBondContact O-N 2.96Å; E48-K51 IonicContact OE1-NZ 3.1Å; E48-K51 PolarHBondContact OE1-NZ 2.68Å; E48-K51 VanDerWaalsContact OE1-NZ 3.1Å; E48-K51 IonicContact OE2-NZ 3.08Å; E48-K51 PolarHBondContact OE2-NZ 2.8Å; E48-K51 VanDerWaalsContact OE2-NZ 3.08Å; E48-E52 WeakPolarHBondContact O-CB 3.33Å; E48-E52 PolarHBondContact O-N 2.91Å
49L97.4Very high95.8Very high1 Ų162 Ų621%0.00530%0.296CS..Hα-helixtrans-59.4-48.7174.6174.761.6000112.2C24 L26 L32 L34 V45 K46 K51 E52 A53 F70 V101C24-L49 HydrophobicContact CB-CD1 3.36Å; C24-L49 HydrophobicContact CB-CD2 3.69Å; C24-L49 HydrophobicContact CB-CG 4.16Å; L26-L49 HydrophobicContact CD2-CD1 4.25Å; L26-L49 HydrophobicContact CD2-CD2 4.08Å; L26-L49 HydrophobicContact CD2-CG 4.18Å; L32-L49 HydrophobicContact CB-CD1 4.17Å; L32-L49 HydrophobicContact CD2-CD1 4.14Å; L34-L49 HydrophobicContact CD2-CB 4.37Å; V45-L49 WeakPolarHBondContact O-CB 3.42Å; V45-L49 PolarHBondContact O-N 2.96Å; K46-L49 WeakPolarHBondContact O-CB 3.42Å; K46-L49 PolarHBondContact O-N 2.67Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.31Å; L49-E52 PolarHBondContact O-N 3.09Å; L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 2.68Å; L49-F70 HydrophobicContact CD2-CE1 3.68Å; L49-F70 HydrophobicContact CD2-CZ 3.89Å; L49-V101 HydrophobicContact CD2-CG2 3.7Å
50F97.1Very high95.8Very high20 Ų2065.6 Ų65.69%0.08831%0.313CS..Hα-helixtrans-70.8-27.5-178.6-87.7-100000112.8K46 H47 L62 E65 Y68 V101K46-F50 HydrophobicContact CD-CE2 4.35Å; K46-F50 HydrophobicContact CG-CD2 3.78Å; K46-F50 HydrophobicContact CG-CE2 3.81Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 3.12Å; H47-F50 PolarHBondContact O-N 3.39Å; F50-L62 HydrophobicContact CE1-CB 4.49Å; F50-E65 HydrophobicContact CB-CB 4.21Å; F50-E65 HydrophobicContact CD1-CB 3.89Å; F50-E65 HydrophobicContact CD2-CB 3.88Å; F50-E65 HydrophobicContact CE1-CB 4.22Å; F50-E65 HydrophobicContact CE2-CB 4.22Å; F50-E65 HydrophobicContact CG-CB 3.71Å; F50-E65 HydrophobicContact CZ-CB 4.38Å; F50-Y68 AromaticContact CE1-CD2 3.73Å; F50-Y68 HydrophobicContact CE1-CD2 3.73Å; F50-Y68 AromaticContact CE1-CE2 3.86Å; F50-Y68 HydrophobicContact CE1-CE2 3.86Å; F50-Y68 HydrophobicContact CE2-CD2 4.42Å; F50-Y68 AromaticContact CZ-CD2 3.32Å; F50-Y68 HydrophobicContact CZ-CD2 3.32Å; F50-Y68 AromaticContact CZ-CE2 3.85Å; F50-Y68 HydrophobicContact CZ-CE2 3.85Å; F50-Y68 HydrophobicContact CZ-CG 4.02Å; F50-V101 HydrophobicContact CE2-CG1 4.21Å; F50-V101 HydrophobicContact CZ-CG1 3.99Å
51K96.4Very high95.9Very high104 Ų10469.7 Ų69.745%0.45233%0.333SS..Hα-helixtrans-69.2-44.2170-178.3-175.9169.1-160.60111.4H47 E48 L49 R54H47-K51 WeakPolarHBondContact O-CB 3.36Å; H47-K51 PolarHBondContact O-N 3.48Å; H47-K51 VanDerWaalsContact O-N 3.11Å; E48-K51 PolarHBondContact O-N 2.96Å; E48-K51 IonicContact OE1-NZ 3.1Å; E48-K51 PolarHBondContact OE1-NZ 2.68Å; E48-K51 VanDerWaalsContact OE1-NZ 3.1Å; E48-K51 IonicContact OE2-NZ 3.08Å; E48-K51 PolarHBondContact OE2-NZ 2.8Å; E48-K51 VanDerWaalsContact OE2-NZ 3.08Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.31Å; K51-R54 WeakPolarHBondContact O-CB 3.35Å; K51-R54 PolarHBondContact O-N 2.86Å
52E96.1Very high95.9Very high51 Ų5168.9 Ų68.924%0.23833%0.327CS..Hα-helixtrans-69.3-36.8178.4-163.659.7-153.500111.9L32 E48 L49 R54 K55 Y56L32-E52 HydrophobicContact CD2-CG 4.46Å; E48-E52 WeakPolarHBondContact O-CB 3.33Å; E48-E52 PolarHBondContact O-N 2.91Å; L49-E52 PolarHBondContact O-N 3.09Å; E52-R54 PolarHBondContact O-N 3.15Å; E52-K55 WeakPolarHBondContact O-CB 3.43Å; E52-K55 PolarHBondContact O-N 2.98Å; E52-K55 WeakPolarHBondContact OE1-CD 3.4Å; E52-K55 WeakPolarHBondContact OE1-CE 3.38Å; E52-K55 IonicContact OE1-NZ 2.83Å; E52-K55 PolarHBondContact OE1-NZ 3.21Å; E52-K55 VanDerWaalsContact OE2-CE 3.31Å; E52-K55 WeakPolarHBondContact OE2-CE 3.43Å; E52-K55 IonicContact OE2-NZ 2.77Å; E52-K55 PolarHBondContact OE2-NZ 3.39Å; E52-Y56 HydrophobicContact CG-CE2 4.22Å; E52-Y56 WeakPolarHBondContact O-CD2 3.24Å
53A96Very high95.8Very high3 Ų373.4 Ų73.43%0.02535%0.348CS..Hα-helixtrans-56.3-25.2177.200000114L26 L32 L49 K55 Y56 L62L26-A53 HydrophobicContact CD1-CB 3.83Å; L32-A53 HydrophobicContact CD2-CB 4.13Å; L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 2.68Å; A53-K55 PolarHBondContact O-N 3.14Å; A53-Y56 PolarHBondContact O-N 2.91Å; A53-Y56 VanDerWaalsContact O-N 3.09Å; A53-L62 HydrophobicContact CB-CD1 3.82Å
54R95.4Very high95.7Very high189 Ų18976.1 Ų76.171%0.71336%0.358SS*.THydrogen-bonded Turntrans-63.1-22.3175.1-63.2177.3-175.6-175.90.4113.2K51 E52 Y56K51-R54 WeakPolarHBondContact O-CB 3.35Å; K51-R54 PolarHBondContact O-N 2.86Å; E52-R54 PolarHBondContact O-N 3.15Å; R54-Y56 VanDerWaalsContact C-N 3.32Å
55K95.3Very high95.6Very high149 Ų14977 Ų7765%0.64836%0.357SS*.THydrogen-bonded Turntrans-83.6-8.3177.7-55.3-175.8-159.7156.10113.1E52 A53E52-K55 WeakPolarHBondContact O-CB 3.43Å; E52-K55 PolarHBondContact O-N 2.98Å; E52-K55 WeakPolarHBondContact OE1-CD 3.4Å; E52-K55 WeakPolarHBondContact OE1-CE 3.38Å; E52-K55 IonicContact OE1-NZ 2.83Å; E52-K55 PolarHBondContact OE1-NZ 3.21Å; E52-K55 VanDerWaalsContact OE2-CE 3.31Å; E52-K55 WeakPolarHBondContact OE2-CE 3.43Å; E52-K55 IonicContact OE2-NZ 2.77Å; E52-K55 PolarHBondContact OE2-NZ 3.39Å; A53-K55 PolarHBondContact O-N 3.14Å
56Y94Very high95.4Very high79 Ų7981.8 Ų81.831%0.3139%0.387SS..SBendtrans-104.7155.2-173.4-74.6-103000111.8M30 L32 E52 A53 R54M30-Y56 HydrophobicContact CE-CD1 3.83Å; L32-Y56 HydrophobicContact CD1-CD1 3.9Å; L32-Y56 HydrophobicContact CD1-CD2 4.28Å; L32-Y56 HydrophobicContact CD1-CE1 4.21Å; L32-Y56 HydrophobicContact CD1-CG 3.93Å; L32-Y56 HydrophobicContact CD2-CD2 3.53Å; L32-Y56 HydrophobicContact CD2-CE2 3.62Å; L32-Y56 HydrophobicContact CD2-CG 4.03Å; L32-Y56 HydrophobicContact CG-CD1 3.99Å; L32-Y56 HydrophobicContact CG-CD2 3.83Å; L32-Y56 HydrophobicContact CG-CE1 3.89Å; L32-Y56 HydrophobicContact CG-CE2 3.73Å; L32-Y56 HydrophobicContact CG-CG 3.96Å; E52-Y56 HydrophobicContact CG-CE2 4.22Å; E52-Y56 WeakPolarHBondContact O-CD2 3.24Å; A53-Y56 PolarHBondContact O-N 2.91Å; A53-Y56 VanDerWaalsContact O-N 3.09Å; R54-Y56 VanDerWaalsContact C-N 3.32Å
57P94.3Very high95.3Very high84 Ų8482.9 Ų82.955%0.54540%0.396SS..THydrogen-bonded Turntrans-54.1155.3173.6-26.234.6000112.8M30 H59M30-P57 HydrophobicContact CE-CG 4.41Å; P57-H59 PolarHBondContact O-N 3.46Å; P57-H59 VanDerWaalsContact O-N 3.17Å
58L95Very high95.2Very high78 Ų7878.5 Ų78.541%0.40838%0.376SS..THydrogen-bonded Turntrans61.719.7174.6-50.4176.6000114.8N28 H60 L61N28-L58 HydrophobicContact CB-CB 4.33Å; N28-L58 PolarHBondContact ND2-O 3Å; L58-H60 PolarHBondContact O-N 2.87Å; L58-L61 HydrophobicContact CB-CD1 4.07Å; L58-L61 HydrophobicContact CB-CG 4.46Å; L58-L61 HydrophobicContact CD2-CD1 4.32Å; L58-L61 WeakPolarHBondContact O-CB 3.26Å; L58-L61 PolarHBondContact O-N 2.84Å; L58-L61 VanDerWaalsContact O-N 3.1Å
59H93.3Very high95.2Very high95 Ų9575.4 Ų75.444%0.4436%0.362SS..G310 helixtrans-59.3-28.9178.385.675.2000112.9P57 L61 L62P57-H59 PolarHBondContact O-N 3.46Å; P57-H59 VanDerWaalsContact O-N 3.17Å; H59-L61 PolarHBondContact O-N 2.81Å; H59-L62 WeakPolarHBondContact O-CB 3.33Å; H59-L62 PolarHBondContact O-N 2.82Å; H59-L62 VanDerWaalsContact O-N 3.08Å
60H92.8Very high95.2Very high133 Ų13375.3 Ų75.362%0.61636%0.361SS*.G310 helixtrans-67.9-12.5-179.964.8-89000113.3L58L58-H60 PolarHBondContact O-N 2.87Å
61L96.1Very high95.2Very high99 Ų9974.4 Ų74.452%0.51836%0.358SS..G310 helixtrans-85.3-9.5173.5-59.7-178.3000112.8N28 L58 H59N28-L61 HydrophobicContact CB-CB 4.08Å; N28-L61 HydrophobicContact CB-CD1 4.39Å; L58-L61 HydrophobicContact CB-CD1 4.07Å; L58-L61 HydrophobicContact CB-CG 4.46Å; L58-L61 HydrophobicContact CD2-CD1 4.32Å; L58-L61 WeakPolarHBondContact O-CB 3.26Å; L58-L61 PolarHBondContact O-N 2.84Å; L58-L61 VanDerWaalsContact O-N 3.1Å; H59-L61 PolarHBondContact O-N 2.81Å
62L95.6Very high95.3Very high28 Ų2869.6 Ų69.615%0.14734%0.337CS..  trans-83.1132.6176.6-55.6177.9000109.5L26 P27 N28 F50 A53 H59L26-L62 HydrophobicContact CB-CD2 4.44Å; L26-L62 HydrophobicContact CD1-CD1 4.17Å; P27-L62 HydrophobicContact CG-CD2 3.59Å; N28-L62 HydrophobicContact CB-CD2 4.05Å; F50-L62 HydrophobicContact CE1-CB 4.49Å; A53-L62 HydrophobicContact CB-CD1 3.82Å; H59-L62 WeakPolarHBondContact O-CB 3.33Å; H59-L62 PolarHBondContact O-N 2.82Å; H59-L62 VanDerWaalsContact O-N 3.08Å
63Q95.6Very high95.3Very high94 Ų9469.5 Ų69.544%0.43934%0.34SS..  trans-74.3-173.3167.3-56.6179.631.100110.6S67 Y68 E103Q63-S67 PolarHBondContact OE1-OG 2.61Å; Q63-Y68 HydrophobicContact CB-CE2 3.71Å; Q63-Y68 WeakPolarHBondContact CB-OH 3.37Å; Q63-Y68 WeakPolarHBondContact CG-OH 3.44Å; Q63-Y68 PolarHBondContact N-OH 2.97Å; Q63-E103 PolarHBondContact NE2-OE1 3.21Å; Q63-E103 VanDerWaalsContact NE2-OE1 3.14Å
64E93.8Very high95.1Very high145 Ų14569.5 Ų69.568%0.67834%0.34SS*.  trans-62.9149.3172.1-62.2-169.1170.100111.9T66 S67 Y68E64-T66 PolarHBondContact O-N 3.49Å; E64-T66 VanDerWaalsContact O-N 3.08Å; E64-S67 WeakPolarHBondContact O-CB 3.29Å; E64-S67 PolarHBondContact O-N 3.07Å; E64-Y68 WeakPolarHBondContact O-CD2 3.37Å; E64-Y68 WeakPolarHBondContact O-CE2 3.41Å
65E94Very high94.8Very high67 Ų6761.1 Ų61.131%0.31331%0.308SS..G310 helixtrans-58.6-25-179.367.7-179.2-177.300113.4K46 H47 F50 S67 Y68K46-E65 WeakPolarHBondContact CE-O 2.86Å; K46-E65 PolarHBondContact NZ-O 3.05Å; H47-E65 IonicContact ND1-OE1 2.69Å; H47-E65 IonicContact ND1-OE2 2.64Å; H47-E65 PolarHBondContact ND1-OE2 3.39Å; F50-E65 HydrophobicContact CB-CB 4.21Å; F50-E65 HydrophobicContact CD1-CB 3.89Å; F50-E65 HydrophobicContact CD2-CB 3.88Å; F50-E65 HydrophobicContact CE1-CB 4.22Å; F50-E65 HydrophobicContact CE2-CB 4.22Å; F50-E65 HydrophobicContact CG-CB 3.71Å; F50-E65 HydrophobicContact CZ-CB 4.38Å; E65-S67 VanDerWaalsContact C-N 3.31Å; E65-Y68 PolarHBondContact O-N 2.83Å
66T93.6Very high94.2Very high104 Ų10455 Ų5564%0.63828%0.282SS*.G310 helixtrans-72.3-21.5178.351.70000113.2E64 Y68E64-T66 PolarHBondContact O-N 3.49Å; E64-T66 VanDerWaalsContact O-N 3.08Å; T66-Y68 PolarHBondContact O-N 2.9Å
67S94.9Very high94Very high39 Ų3954 Ų5427%0.27329%0.29SS..G310 helixtrans-75.1-9.8175.3-64.50000113.2Q63 E64 E65 P104Q63-S67 PolarHBondContact OE1-OG 2.61Å; E64-S67 WeakPolarHBondContact O-CB 3.29Å; E64-S67 PolarHBondContact O-N 3.07Å; E65-S67 VanDerWaalsContact C-N 3.31Å; S67-P104 VanDerWaalsContact O-CD 3.29Å; S67-P104 WeakPolarHBondContact O-CD 3.35Å
68Y96.4Very high93.7Very high5 Ų552.7 Ų52.72%0.0228%0.276CS..  trans-121.2153.2-170.6-58.6-73.9000113.4P27 K46 F50 Q63 E64 E65 T66 V101 I102 E103P27-Y68 HydrophobicContact CB-CE1 4.31Å; P27-Y68 HydrophobicContact CG-CD1 4.48Å; P27-Y68 HydrophobicContact CG-CE1 3.77Å; K46-Y68 PolarHBondContact NZ-O 3.44Å; F50-Y68 AromaticContact CE1-CD2 3.73Å; F50-Y68 HydrophobicContact CE1-CD2 3.73Å; F50-Y68 AromaticContact CE1-CE2 3.86Å; F50-Y68 HydrophobicContact CE1-CE2 3.86Å; F50-Y68 HydrophobicContact CE2-CD2 4.42Å; F50-Y68 AromaticContact CZ-CD2 3.32Å; F50-Y68 HydrophobicContact CZ-CD2 3.32Å; F50-Y68 AromaticContact CZ-CE2 3.85Å; F50-Y68 HydrophobicContact CZ-CE2 3.85Å; F50-Y68 HydrophobicContact CZ-CG 4.02Å; Q63-Y68 HydrophobicContact CB-CE2 3.71Å; Q63-Y68 WeakPolarHBondContact CB-OH 3.37Å; Q63-Y68 WeakPolarHBondContact CG-OH 3.44Å; Q63-Y68 PolarHBondContact N-OH 2.97Å; E64-Y68 WeakPolarHBondContact O-CD2 3.37Å; E64-Y68 WeakPolarHBondContact O-CE2 3.41Å; E65-Y68 PolarHBondContact O-N 2.83Å; T66-Y68 PolarHBondContact O-N 2.9Å; Y68-V101 HydrophobicContact CD1-CG1 3.73Å; Y68-V101 HydrophobicContact CD2-CG1 4.28Å; Y68-V101 HydrophobicContact CE1-CG1 4.48Å; Y68-V101 HydrophobicContact CG-CG1 3.6Å; Y68-I102 WeakPolarHBondContact CA-O 3.35Å; Y68-E103 HydrophobicContact CD1-CG 3.92Å; Y68-E103 HydrophobicContact CE1-CG 3.71Å
69I96.4Very high93.6Very high16 Ų1655.7 Ų55.78%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-125.2166.3166.961.7169000109.9E81 Y83 I102 P104I69-E81 HydrophobicContact CD1-CB 4.03Å; I69-E81 HydrophobicContact CD1-CG 4.49Å; I69-Y83 HydrophobicContact CD1-CD1 4.18Å; I69-Y83 HydrophobicContact CD1-CE1 3.77Å; I69-Y83 HydrophobicContact CD1-CE2 4.14Å; I69-I102 HydrophobicContact CD1-CD1 4.44Å; I69-I102 HydrophobicContact CD1-CG1 4.45Å; I69-I102 HydrophobicContact CG1-CD1 4.39Å; I69-I102 HydrophobicContact CG1-CG1 3.87Å; I69-I102 PolarHBondContact N-O 3.4Å; I69-I102 PolarHBondContact O-N 3.38Å; I69-P104 HydrophobicContact CD1-CB 4.03Å; I69-P104 HydrophobicContact CG1-CB 4.34Å
70F98.1Very high93.4Very high0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-88.6149.7170.2-71.1-60.3000112.6L42 V45 K46 L49 F82 L99 K100 V101L42-F70 HydrophobicContact CB-CD2 4.21Å; L42-F70 HydrophobicContact CD2-CD2 3.74Å; L42-F70 HydrophobicContact CD2-CE2 4.16Å; L42-F70 HydrophobicContact CG-CD2 4.41Å; V45-F70 HydrophobicContact CB-CE2 4.5Å; V45-F70 HydrophobicContact CG1-CE2 4.29Å; V45-F70 HydrophobicContact CG1-CZ 4.13Å; K46-F70 HydrophobicContact CB-CE2 3.58Å; K46-F70 HydrophobicContact CB-CZ 3.83Å; K46-F70 HydrophobicContact CD-CE2 4.42Å; K46-F70 HydrophobicContact CG-CE2 4.12Å; K46-F70 HydrophobicContact CG-CZ 4.11Å; L49-F70 HydrophobicContact CD2-CE1 3.68Å; L49-F70 HydrophobicContact CD2-CZ 3.89Å; F70-F82 HydrophobicContact CB-CB 4.46Å; F70-F82 HydrophobicContact CB-CD2 3.88Å; F70-F82 PolarHBondContact O-N 2.84Å; F70-L99 HydrophobicContact CB-CD2 4.34Å; F70-L99 HydrophobicContact CD1-CB 3.67Å; F70-L99 HydrophobicContact CD1-CD1 4.2Å; F70-L99 HydrophobicContact CD1-CG 4.42Å; F70-L99 HydrophobicContact CD2-CD1 4.26Å; F70-L99 HydrophobicContact CE1-CB 3.94Å; F70-L99 HydrophobicContact CE1-CD1 4.17Å; F70-L99 HydrophobicContact CE2-CD1 4.21Å; F70-L99 HydrophobicContact CG-CB 4.26Å; F70-L99 HydrophobicContact CG-CD1 4.23Å; F70-L99 HydrophobicContact CZ-CD1 4.17Å; F70-K100 CarbonylContact C-O 3.59Å; F70-K100 WeakPolarHBondContact CA-O 3.44Å; F70-V101 HydrophobicContact CD1-CG2 3.94Å; F70-V101 HydrophobicContact CE1-CG2 3.62Å
71V96.9Very high93.5Very high1 Ų147.7 Ų47.71%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-136.6141168.269.60000109.2R79 E80 E81 K100 I102V71-R79 HydrophobicContact CG2-CG 3.49Å; V71-R79 VanDerWaalsContact CG2-CG 3.49Å; V71-E80 VanDerWaalsContact CA-O 3.25Å; V71-E80 WeakPolarHBondContact CA-O 3.43Å; V71-E80 WeakPolarHBondContact CG2-O 3.27Å; V71-E81 HydrophobicContact CB-CG 4.37Å; V71-E81 HydrophobicContact CG2-CG 3.87Å; V71-K100 HydrophobicContact CG1-CB 3.68Å; V71-K100 HydrophobicContact CG1-CD 4.19Å; V71-K100 HydrophobicContact CG1-CG 3.99Å; V71-K100 PolarHBondContact N-O 2.87Å; V71-K100 WeakPolarHBondContact O-CB 3.41Å; V71-K100 PolarHBondContact O-N 3.08Å; V71-I102 HydrophobicContact CB-CD1 3.86Å; V71-I102 HydrophobicContact CB-CG1 4.18Å; V71-I102 HydrophobicContact CG1-CB 4.5Å; V71-I102 HydrophobicContact CG1-CD1 3.88Å; V71-I102 HydrophobicContact CG1-CG1 3.99Å; V71-I102 HydrophobicContact CG1-CG2 3.71Å; V71-I102 HydrophobicContact CG2-CD1 4.38Å
72S97.2Very high93.4Very high3 Ų343 Ų432%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-148.6-179.7174.1-165.80000111.2R79 E80 F98S72-R79 CarbonylContact O-C 3.58Å; S72-R79 WeakPolarHBondContact O-CA 3.37Å; S72-E80 PolarHBondContact N-O 3.47Å; S72-E80 VanDerWaalsContact N-O 3.07Å; S72-E80 PolarHBondContact O-N 3.26Å; S72-F98 WeakPolarHBondContact CB-O 3.25Å; S72-F98 PolarHBondContact OG-O 3.41Å
73V95.8Very high93.1Very high48 Ų4842.7 Ų42.729%0.29122%0.218SC..EExtended strand (participates in β ladder)trans-99.3126.9173.2178.30000109E78 F95 F98V73-E78 VanDerWaalsContact CA-O 3.32Å; V73-E78 WeakPolarHBondContact CA-O 3.44Å; V73-F95 HydrophobicContact CB-CB 4.44Å; V73-F95 HydrophobicContact CG1-CB 4.02Å; V73-F95 HydrophobicContact CG1-CG 4.5Å; V73-F95 WeakPolarHBondContact O-CB 3.41Å; V73-F95 PolarHBondContact O-N 3.24Å; V73-F98 HydrophobicContact CB-CE1 4.33Å; V73-F98 HydrophobicContact CB-CZ 4.23Å; V73-F98 HydrophobicContact CG2-CZ 4Å
74T92.3Very high92.8Very high4 Ų441.9 Ų41.93%0.02522%0.216CC..BIsolated β-bridgetrans-89.8168.7178.869.50000111.4E76 A77 E78 E80 R93T74-E76 PolarHBondContact O-N 2.81Å; T74-E76 VanDerWaalsContact O-N 3.15Å; T74-E76 PolarHBondContact OG1-N 3.32Å; T74-A77 WeakPolarHBondContact O-CA 3.11Å; T74-A77 PolarHBondContact O-N 3.03Å; T74-E78 PolarHBondContact N-O 3.38Å; T74-E80 HydrophobicContact CG2-CB 3.55Å; T74-E80 HydrophobicContact CG2-CG 4.46Å; T74-E80 WeakPolarHBondContact CG2-OE2 3.31Å; T74-R93 CarbonylContact C-O 3.49Å; T74-R93 VanDerWaalsContact CA-O 3.3Å; T74-R93 WeakPolarHBondContact CA-O 3.37Å
75Q88.7Confident92.7Very high13 Ų1336.5 Ų36.56%0.06119%0.191CC..THydrogen-bonded Turntrans-62.8-14.6172.7-67.5171.33300113.8G8 E9 A77 R93 L94G8-Q75 PolarHBondContact O-NE2 3.17Å; G8-Q75 PolarHBondContact O-OE1 3.24Å; E9-Q75 PolarHBondContact O-NE2 2.65Å; Q75-A77 PolarHBondContact O-N 2.8Å; Q75-R93 WeakPolarHBondContact CG-O 3.4Å; Q75-R93 PolarHBondContact N-O 2.89Å; Q75-L94 WeakPolarHBondContact CG-O 3.29Å; Q75-L94 PolarHBondContact NE2-O 3.5Å
76E84.2Confident92.6Very high21 Ų2137.6 Ų37.610%0.09820%0.203CC..THydrogen-bonded Turntrans-82.66.2171-62.4176.2-177.200111.6R4 T74 E78 P124R4-E76 HydrophobicContact CG-CG 3.78Å; R4-E76 IonicContact CZ-OE1 3.2Å; R4-E76 VanDerWaalsContact CZ-OE1 3.24Å; R4-E76 IonicContact NE-OE1 3.91Å; R4-E76 PolarHBondContact NE-OE1 3.25Å; R4-E76 IonicContact NH2-OE1 2.73Å; R4-E76 PolarHBondContact NH2-OE1 3.02Å; T74-E76 PolarHBondContact O-N 2.81Å; T74-E76 VanDerWaalsContact O-N 3.15Å; T74-E76 PolarHBondContact OG1-N 3.32Å; E76-E78 PolarHBondContact O-N 2.94Å; E76-P124 HydrophobicContact CB-CG 4.08Å; E76-P124 VanDerWaalsContact OE2-CD 3.29Å; E76-P124 WeakPolarHBondContact OE2-CD 3.48Å; E76-P124 VanDerWaalsContact OE2-CG 3.29Å; E76-P124 WeakPolarHBondContact OE2-CG 3.32Å
77A89.1Confident92.5Very high56 Ų5634 Ų3446%0.46318%0.177SC..SBendtrans56.926.5-176.200000113.4M1 T74 Q75M1-A77 HydrophobicContact CE-CB 4.49Å; M1-A77 HydrophobicContact SD-CB 3.47Å; M1-A77 WeakPolarHBondContact SD-CB 3.49Å; T74-A77 WeakPolarHBondContact O-CA 3.11Å; T74-A77 PolarHBondContact O-N 3.03Å; Q75-A77 PolarHBondContact O-N 2.8Å
78E88Confident92.4Very high57 Ų5734.6 Ų34.627%0.26617%0.174SC..  trans-96144.3173.3-170.9-174.8-171.200110.4V73 T74 E76 E80 P124 C126V73-E78 VanDerWaalsContact CA-O 3.32Å; V73-E78 WeakPolarHBondContact CA-O 3.44Å; T74-E78 PolarHBondContact N-O 3.38Å; E76-E78 PolarHBondContact O-N 2.94Å; E78-E80 PolarHBondContact O-N 2.78Å; E78-P124 HydrophobicContact CB-CG 4.22Å; E78-P124 VanDerWaalsContact OE2-CB 3.27Å; E78-P124 WeakPolarHBondContact OE2-CB 3.16Å; E78-P124 VanDerWaalsContact OE2-CG 3.31Å; E78-P124 WeakPolarHBondContact OE2-CG 3.39Å; E78-C126 PolarHBondContact OE1-SG 3.27Å
79R91.8Very high92.3Very high141 Ų14134.4 Ų34.453%0.53217%0.173SC..EExtended strand (participates in β ladder)trans-81.792.6166.3-176.2179.1177.6-131-5.8109.6V71 S72V71-R79 HydrophobicContact CG2-CG 3.49Å; V71-R79 VanDerWaalsContact CG2-CG 3.49Å; S72-R79 CarbonylContact O-C 3.58Å; S72-R79 WeakPolarHBondContact O-CA 3.37Å
80E91.2Very high92Very high23 Ų2333.8 Ų33.811%0.10717%0.17CC..EExtended strand (participates in β ladder)trans-86.2130.7-179.2-173.9179.5168.400111.4V71 S72 T74 E78 F82 R87 R115V71-E80 VanDerWaalsContact CA-O 3.25Å; V71-E80 WeakPolarHBondContact CA-O 3.43Å; V71-E80 WeakPolarHBondContact CG2-O 3.27Å; S72-E80 PolarHBondContact N-O 3.47Å; S72-E80 VanDerWaalsContact N-O 3.07Å; S72-E80 PolarHBondContact O-N 3.26Å; T74-E80 HydrophobicContact CG2-CB 3.55Å; T74-E80 HydrophobicContact CG2-CG 4.46Å; T74-E80 WeakPolarHBondContact CG2-OE2 3.31Å; E78-E80 PolarHBondContact O-N 2.78Å; E80-F82 HydrophobicContact CB-CE1 4.05Å; E80-F82 HydrophobicContact CB-CZ 4.26Å; E80-F82 VanDerWaalsContact CD-CE1 3.41Å; E80-F82 HydrophobicContact CG-CD1 3.98Å; E80-F82 HydrophobicContact CG-CE1 3.75Å; E80-F82 HydrophobicContact CG-CZ 4.44Å; E80-R87 IonicContact OE1-CZ 2.8Å; E80-R87 IonicContact OE1-NH1 3.26Å; E80-R87 PolarHBondContact OE1-NH1 3.37Å; E80-R87 IonicContact OE1-NH2 3.27Å; E80-R115 WeakPolarHBondContact OE1-CG 3.31Å; E80-R115 IonicContact OE1-NE 2.97Å; E80-R115 PolarHBondContact OE1-NE 2.87Å
81E93.8Very high91.6Very high38 Ų3835.3 Ų35.318%0.17818%0.178CC..EExtended strand (participates in β ladder)trans-93.2120.5170-66.9175-162.400109.8I69 V71 Y83 I102 K111I69-E81 HydrophobicContact CD1-CB 4.03Å; I69-E81 HydrophobicContact CD1-CG 4.49Å; V71-E81 HydrophobicContact CB-CG 4.37Å; V71-E81 HydrophobicContact CG2-CG 3.87Å; E81-Y83 HydrophobicContact CB-CD2 4.16Å; E81-Y83 HydrophobicContact CB-CE2 3.61Å; E81-Y83 WeakPolarHBondContact O-CD2 3.44Å; E81-Y83 PolarHBondContact O-N 2.97Å; E81-Y83 VanDerWaalsContact OE2-CE2 3.29Å; E81-Y83 WeakPolarHBondContact OE2-CE2 3.23Å; E81-Y83 VanDerWaalsContact OE2-CZ 3.29Å; E81-Y83 PolarHBondContact OE2-OH 2.83Å; E81-I102 HydrophobicContact CG-CD1 4.11Å; E81-K111 IonicContact OE1-NZ 2.79Å; E81-K111 PolarHBondContact OE1-NZ 2.88Å; E81-K111 WeakPolarHBondContact OE2-CD 3.29Å; E81-K111 IonicContact OE2-NZ 3.37Å; E81-K111 PolarHBondContact OE2-NZ 2.93Å
82F93.4Very high91.3Very high1 Ų135.3 Ų35.30%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-91.985.4-173.4-54.8-67.6000111.5L42 F70 E80 L92 L94 L99L42-F82 HydrophobicContact CD1-CB 3.46Å; L42-F82 VanDerWaalsContact CD1-CB 3.46Å; L42-F82 HydrophobicContact CD1-CD1 4.48Å; L42-F82 HydrophobicContact CD1-CD2 4.31Å; L42-F82 HydrophobicContact CD1-CG 3.86Å; F70-F82 HydrophobicContact CB-CB 4.46Å; F70-F82 HydrophobicContact CB-CD2 3.88Å; F70-F82 PolarHBondContact O-N 2.84Å; E80-F82 HydrophobicContact CB-CE1 4.05Å; E80-F82 HydrophobicContact CB-CZ 4.26Å; E80-F82 VanDerWaalsContact CD-CE1 3.41Å; E80-F82 HydrophobicContact CG-CD1 3.98Å; E80-F82 HydrophobicContact CG-CE1 3.75Å; E80-F82 HydrophobicContact CG-CZ 4.44Å; F82-L92 HydrophobicContact CD1-CD2 3.99Å; F82-L92 HydrophobicContact CE1-CB 4.17Å; F82-L92 HydrophobicContact CE1-CD1 4.43Å; F82-L92 HydrophobicContact CE1-CD2 4Å; F82-L92 HydrophobicContact CE1-CG 4.41Å; F82-L92 HydrophobicContact CE2-CD1 4.39Å; F82-L92 HydrophobicContact CZ-CB 4.25Å; F82-L92 HydrophobicContact CZ-CD1 4.28Å; F82-L94 HydrophobicContact CE2-CD2 4.27Å; F82-L94 HydrophobicContact CZ-CD2 3.81Å; F82-L99 HydrophobicContact CD2-CD2 4.42Å; F82-L99 HydrophobicContact CE2-CD2 4.04Å
83Y90.5Very high91Very high21 Ų2136.8 Ų36.88%0.08218%0.183CC..  trans-75.2-29176-70.8-84.9000113.7I69 E81 E85 P104 R108 K111 I112I69-Y83 HydrophobicContact CD1-CD1 4.18Å; I69-Y83 HydrophobicContact CD1-CE1 3.77Å; I69-Y83 HydrophobicContact CD1-CE2 4.14Å; E81-Y83 HydrophobicContact CB-CD2 4.16Å; E81-Y83 HydrophobicContact CB-CE2 3.61Å; E81-Y83 WeakPolarHBondContact O-CD2 3.44Å; E81-Y83 PolarHBondContact O-N 2.97Å; E81-Y83 VanDerWaalsContact OE2-CE2 3.29Å; E81-Y83 WeakPolarHBondContact OE2-CE2 3.23Å; E81-Y83 VanDerWaalsContact OE2-CZ 3.29Å; E81-Y83 PolarHBondContact OE2-OH 2.83Å; Y83-E85 PolarHBondContact O-N 3.01Å; Y83-P104 HydrophobicContact CE1-CB 3.94Å; Y83-R108 HydrophobicContact CD1-CG 3.76Å; Y83-R108 HydrophobicContact CE1-CB 4.31Å; Y83-R108 HydrophobicContact CE1-CG 3.91Å; Y83-R108 HydrophobicContact CG-CG 4.47Å; Y83-K111 HydrophobicContact CD2-CB 4.47Å; Y83-K111 HydrophobicContact CE2-CB 3.94Å; Y83-K111 HydrophobicContact CE2-CD 3.86Å; Y83-K111 WeakPolarHBondContact OH-CD 3.42Å; Y83-I112 HydrophobicContact CD2-CG1 4.34Å; Y83-I112 HydrophobicContact CG-CD1 4.45Å; Y83-I112 HydrophobicContact CG-CG1 4.09Å
84D88.3Confident90.9Very high76 Ų7634.5 Ų34.541%0.40617%0.169SC..  trans-90.593173.3-179.88.2000109.6T86 R87D84-T86 PolarHBondContact O-N 2.96Å; D84-T86 WeakPolarHBondContact OD1-CB 3.26Å; D84-T86 PolarHBondContact OD1-N 3.45Å; D84-T86 PolarHBondContact OD1-OG1 3.08Å; D84-R87 HydrophobicContact CB-CG 4.33Å
85E92.9Very high90.9Very high33 Ų3338 Ų3815%0.15419%0.185CC..THydrogen-bonded Turntrans-81.30.1-178-58-172.9144.500113L42 I43 K46 Y83L42-E85 HydrophobicContact CB-CB 3.93Å; L42-E85 HydrophobicContact CB-CG 4.42Å; L42-E85 WeakPolarHBondContact CB-O 3.37Å; L42-E85 PolarHBondContact N-O 3.33Å; I43-E85 HydrophobicContact CD1-CB 4.38Å; I43-E85 HydrophobicContact CG1-CB 3.61Å; I43-E85 WeakPolarHBondContact CG1-O 3.45Å; I43-E85 PolarHBondContact N-O 3.39Å; K46-E85 WeakPolarHBondContact CE-OE1 3.32Å; K46-E85 VanDerWaalsContact CE-OE2 3.31Å; K46-E85 WeakPolarHBondContact CE-OE2 3.3Å; K46-E85 IonicContact NZ-OE1 3.36Å; K46-E85 PolarHBondContact NZ-OE1 2.64Å; K46-E85 IonicContact NZ-OE2 2.65Å; K46-E85 PolarHBondContact NZ-OE2 3.45Å; Y83-E85 PolarHBondContact O-N 3.01Å
86T91.5Very high91.2Very high90 Ų9042.1 Ų42.155%0.55220%0.204SC*.THydrogen-bonded Turntrans-76-17.9172.972.10000112.1T41 I43 D84T41-T86 WeakPolarHBondContact CG2-O 3.47Å; I43-T86 HydrophobicContact CD1-CG2 4.09Å; D84-T86 PolarHBondContact O-N 2.96Å; D84-T86 WeakPolarHBondContact OD1-CB 3.26Å; D84-T86 PolarHBondContact OD1-N 3.45Å; D84-T86 PolarHBondContact OD1-OG1 3.08Å
87R91.6Very high91.8Very high27 Ų2742 Ų4210%0.10221%0.206CC..SBendtrans-61.7145.7177-68.1175.463.7-165.40.1111.9T41 L42 E80 D84 D91 L92T41-R87 CarbonylContact C-O 3.58Å; T41-R87 VanDerWaalsContact CA-O 3.32Å; T41-R87 WeakPolarHBondContact CA-O 3.27Å; L42-R87 PolarHBondContact N-O 3.21Å; E80-R87 IonicContact OE1-CZ 2.8Å; E80-R87 IonicContact OE1-NH1 3.26Å; E80-R87 PolarHBondContact OE1-NH1 3.37Å; E80-R87 IonicContact OE1-NH2 3.27Å; D84-R87 HydrophobicContact CB-CG 4.33Å; R87-D91 PolarHBondContact NH2-O 3.32Å; R87-L92 HydrophobicContact CB-CD2 3.81Å
88R93.1Very high92.2Very high52 Ų5241.7 Ų41.720%0.19619%0.194CC..BIsolated β-bridgetrans-86.5152.7176-57.1179.4172142.36.3111.3E39 A40 T41 C90 D91 L92 P742 D743 D746E39-R88 WeakPolarHBondContact O-CD 3.19Å; E39-R88 WeakPolarHBondContact O-CG 3.36Å; A40-R88 CarbonylContact O-C 3.52Å; A40-R88 VanDerWaalsContact O-CA 3.3Å; A40-R88 WeakPolarHBondContact O-CA 3.38Å; T41-R88 HydrophobicContact CG2-CG 4.41Å; R88-C90 VanDerWaalsContact C-N 3.31Å; R88-C90 PolarHBondContact O-N 2.94Å; R88-D91 WeakPolarHBondContact CB-OD2 3.37Å; R88-D91 PolarHBondContact O-N 3.41Å; R88-L92 WeakPolarHBondContact O-CG 3.46Å; R88-P742 VanDerWaalsContact NH1-C 3.27Å; R88-P742 PolarHBondContact NH1-O 3.21Å; R88-D743 VanDerWaalsContact NH1-N 3.15Å; R88-D746 IonicContact CZ-OD2 2.73Å; R88-D746 IonicContact NH1-OD2 2.71Å; R88-D746 PolarHBondContact NH1-OD2 3.28Å; R88-D746 IonicContact NH2-OD2 3.57Å; R88-D746 PolarHBondContact NH2-OD2 3.41Å
89L94.3Very high92.7Very high2 Ų239 Ų391%0.0118%0.182CC..G310 helixtrans-54.5-43.7179.7-17564.7000112.7M16 I20 V22 C36 A40 D91 L92 L94M16-L89 HydrophobicContact SD-CG 4.28Å; I20-L89 HydrophobicContact CG2-CD2 3.57Å; V22-L89 HydrophobicContact CG2-CD1 4.49Å; V22-L89 HydrophobicContact CG2-CD2 3.68Å; C36-L89 HydrophobicContact CB-CD2 4.17Å; A40-L89 PolarHBondContact O-N 2.9Å; L89-D91 PolarHBondContact O-N 3.03Å; L89-L92 HydrophobicContact CD1-CD1 4.12Å; L89-L92 WeakPolarHBondContact O-CB 3.29Å; L89-L92 PolarHBondContact O-N 3.21Å; L89-L94 HydrophobicContact CD1-CD1 3.74Å
90C90Very high93Very high3 Ų336.6 Ų36.62%0.0218%0.175CC..G310 helixtrans-63.4-23.2177.758.20000114.7E9 R38 R88E9-C90 HydrophobicContact CG-CB 4.23Å; R38-C90 HydrophobicContact CG-CB 3.87Å; R38-C90 PolarHBondContact O-N 3.1Å; R88-C90 VanDerWaalsContact C-N 3.31Å; R88-C90 PolarHBondContact O-N 2.94Å
91D89.3Confident93.3Very high32 Ų3235.6 Ų35.617%0.17117%0.171CC..G310 helixtrans-96.54.5-176.9-53.5-40.5000112R87 R88 L89 K711R87-D91 PolarHBondContact NH2-O 3.32Å; R88-D91 WeakPolarHBondContact CB-OD2 3.37Å; R88-D91 PolarHBondContact O-N 3.41Å; L89-D91 PolarHBondContact O-N 3.03Å; D91-K711 IonicContact OD1-NZ 3.82Å; D91-K711 PolarHBondContact OD1-NZ 3.35Å
92L91.3Very high93.4Very high0 Ų034.9 Ų34.90%017%0.168CC..SBendtrans-83.7-16178.2-56.5-174.1000113.8L42 F82 R87 R88 L89 L94 L99L42-L92 HydrophobicContact CD1-CD1 4.03Å; L42-L92 HydrophobicContact CD1-CD2 4Å; L42-L92 HydrophobicContact CD2-CD1 3.61Å; L42-L92 HydrophobicContact CG-CD1 4.02Å; L42-L92 HydrophobicContact CG-CD2 4.47Å; F82-L92 HydrophobicContact CD1-CD2 3.99Å; F82-L92 HydrophobicContact CE1-CB 4.17Å; F82-L92 HydrophobicContact CE1-CD1 4.43Å; F82-L92 HydrophobicContact CE1-CD2 4Å; F82-L92 HydrophobicContact CE1-CG 4.41Å; F82-L92 HydrophobicContact CE2-CD1 4.39Å; F82-L92 HydrophobicContact CZ-CB 4.25Å; F82-L92 HydrophobicContact CZ-CD1 4.28Å; R87-L92 HydrophobicContact CB-CD2 3.81Å; R88-L92 WeakPolarHBondContact O-CG 3.46Å; L89-L92 HydrophobicContact CD1-CD1 4.12Å; L89-L92 WeakPolarHBondContact O-CB 3.29Å; L89-L92 PolarHBondContact O-N 3.21Å; L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 HydrophobicContact CB-CD2 3.76Å; L92-L94 HydrophobicContact CB-CG 3.86Å; L92-L94 HydrophobicContact CD1-CD2 4.32Å; L92-L94 PolarHBondContact O-N 3.34Å; L92-L99 HydrophobicContact CD1-CD2 4.37Å
93R88.9Confident93.5Very high34 Ų3439.8 Ų39.813%0.12819%0.191CC..  trans53.647.7-178.2-55.1174.2178.3146.4-1.6111.8T74 Q75 F119T74-R93 CarbonylContact C-O 3.49Å; T74-R93 VanDerWaalsContact CA-O 3.3Å; T74-R93 WeakPolarHBondContact CA-O 3.37Å; Q75-R93 WeakPolarHBondContact CG-O 3.4Å; Q75-R93 PolarHBondContact N-O 2.89Å; R93-F119 VanDerWaalsContact NH2-CZ 3.35Å
94L93.9Very high93.5Very high0 Ų042.1 Ų42.10%021%0.209CC..BIsolated β-bridgetrans-64.8145.7-177.9-60.6-177.6000110.5L10 W11 Q75 F82 L89 L92 Q96 L99L10-L94 WeakPolarHBondContact CA-O 3.34Å; L10-L94 HydrophobicContact CD1-CB 3.82Å; L10-L94 WeakPolarHBondContact CD1-O 3.47Å; W11-L94 PolarHBondContact N-O 2.9Å; Q75-L94 WeakPolarHBondContact CG-O 3.29Å; Q75-L94 PolarHBondContact NE2-O 3.5Å; F82-L94 HydrophobicContact CE2-CD2 4.27Å; F82-L94 HydrophobicContact CZ-CD2 3.81Å; L89-L94 HydrophobicContact CD1-CD1 3.74Å; L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 HydrophobicContact CB-CD2 3.76Å; L92-L94 HydrophobicContact CB-CG 3.86Å; L92-L94 HydrophobicContact CD1-CD2 4.32Å; L92-L94 PolarHBondContact O-N 3.34Å; L94-Q96 WeakPolarHBondContact CB-O 3.47Å; L94-L99 HydrophobicContact CD1-CD2 4.43Å
95F93.6Very high93.4Very high79 Ų7943.2 Ų43.235%0.34622%0.218SC..SBendtrans-74.8-41.4168.8179.5-106.8000110.9W11 V73W11-F95 HydrophobicContact CB-CD2 3.71Å; W11-F95 HydrophobicContact CB-CE2 3.95Å; W11-F95 HydrophobicContact CB-CG 4.42Å; W11-F95 WeakPolarHBondContact CB-O 3.36Å; W11-F95 AromaticContact CD1-CE2 3.72Å; W11-F95 HydrophobicContact CD2-CD2 4.21Å; W11-F95 AromaticContact CD2-CE2 3.83Å; W11-F95 HydrophobicContact CD2-CE2 3.83Å; W11-F95 AromaticContact CG-CD2 3.8Å; W11-F95 HydrophobicContact CG-CD2 3.8Å; W11-F95 AromaticContact CG-CE2 3.53Å; W11-F95 HydrophobicContact CG-CE2 3.53Å; W11-F95 HydrophobicContact CG-CZ 4.39Å; V73-F95 HydrophobicContact CB-CB 4.44Å; V73-F95 HydrophobicContact CG1-CB 4.02Å; V73-F95 HydrophobicContact CG1-CG 4.5Å; V73-F95 WeakPolarHBondContact O-CB 3.41Å; V73-F95 PolarHBondContact O-N 3.24Å
96Q94.7Very high92.9Very high99 Ų9944.8 Ų44.846%0.46324%0.243SC..SBendtrans-138152176.2-76.5-67.1-27.400108.7L94 F98L94-Q96 WeakPolarHBondContact CB-O 3.47Å; Q96-F98 HydrophobicContact CB-CD1 3.78Å; Q96-F98 HydrophobicContact CB-CE1 4.18Å; Q96-F98 PolarHBondContact O-N 3.41Å
97A96.1Very high92.6Very high18 Ų1844.7 Ų44.715%0.14924%0.239CC..SBendtrans-75.969.1-177.900000111.4L10 I20 V22 D23L10-A97 HydrophobicContact CD1-CB 4.49Å; I20-A97 HydrophobicContact CD1-CB 3.77Å; I20-A97 HydrophobicContact CG1-CB 4.17Å; V22-A97 WeakPolarHBondContact CA-O 3.48Å; D23-A97 PolarHBondContact N-O 2.96Å
98F97.8Very high92.4Very high49 Ų4950.8 Ų50.822%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-139.8151.9174.383.1-82.9000111.2D23 L25 S72 V73 Q96D23-F98 HydrophobicContact CB-CB 4.03Å; D23-F98 CarbonylContact O-C 3.59Å; D23-F98 WeakPolarHBondContact O-CA 3.46Å; D23-F98 VanDerWaalsContact O-CB 3.27Å; D23-F98 WeakPolarHBondContact O-CB 3.18Å; L25-F98 HydrophobicContact CD1-CD2 3.81Å; L25-F98 HydrophobicContact CD1-CE2 4.1Å; L25-F98 HydrophobicContact CG-CD2 4.5Å; S72-F98 WeakPolarHBondContact CB-O 3.25Å; S72-F98 PolarHBondContact OG-O 3.41Å; V73-F98 HydrophobicContact CB-CE1 4.33Å; V73-F98 HydrophobicContact CB-CZ 4.23Å; V73-F98 HydrophobicContact CG2-CZ 4Å; Q96-F98 HydrophobicContact CB-CD1 3.78Å; Q96-F98 HydrophobicContact CB-CE1 4.18Å; Q96-F98 PolarHBondContact O-N 3.41Å
99L98.3Very high92.2Very high0 Ų055.3 Ų55.30%029%0.285CS..EExtended strand (participates in β ladder)trans-132.6132.6175.6-65.5173.9000109.2V22 D23 C24 L25 L42 V45 F70 F82 L92 L94V22-L99 HydrophobicContact CG1-CB 4.5Å; V22-L99 HydrophobicContact CG1-CD1 4.15Å; V22-L99 HydrophobicContact CG1-CG 3.99Å; D23-L99 PolarHBondContact O-N 2.82Å; C24-L99 CarbonylContact C-O 3.52Å; C24-L99 VanDerWaalsContact CA-O 3.25Å; C24-L99 WeakPolarHBondContact CA-O 3.07Å; L25-L99 PolarHBondContact N-O 3.36Å; L42-L99 HydrophobicContact CD2-CD1 3.89Å; L42-L99 HydrophobicContact CD2-CD2 4.4Å; V45-L99 HydrophobicContact CG1-CD1 3.92Å; F70-L99 HydrophobicContact CB-CD2 4.34Å; F70-L99 HydrophobicContact CD1-CB 3.67Å; F70-L99 HydrophobicContact CD1-CD1 4.2Å; F70-L99 HydrophobicContact CD1-CG 4.42Å; F70-L99 HydrophobicContact CD2-CD1 4.26Å; F70-L99 HydrophobicContact CE1-CB 3.94Å; F70-L99 HydrophobicContact CE1-CD1 4.17Å; F70-L99 HydrophobicContact CE2-CD1 4.21Å; F70-L99 HydrophobicContact CG-CB 4.26Å; F70-L99 HydrophobicContact CG-CD1 4.23Å; F70-L99 HydrophobicContact CZ-CD1 4.17Å; F82-L99 HydrophobicContact CD2-CD2 4.42Å; F82-L99 HydrophobicContact CE2-CD2 4.04Å; L92-L99 HydrophobicContact CD1-CD2 4.37Å; L94-L99 HydrophobicContact CD1-CD2 4.43Å
100K98.4Very high91.9Very high91 Ų9157 Ų5740%0.39629%0.294SS..EExtended strand (participates in β ladder)trans-104.8134.6173.5179.2175.9179.2171.20110.2L25 F70 V71 I102L25-K100 HydrophobicContact CB-CB 4.02Å; L25-K100 HydrophobicContact CB-CG 4.01Å; L25-K100 HydrophobicContact CD1-CB 4.16Å; F70-K100 CarbonylContact C-O 3.59Å; F70-K100 WeakPolarHBondContact CA-O 3.44Å; V71-K100 HydrophobicContact CG1-CB 3.68Å; V71-K100 HydrophobicContact CG1-CD 4.19Å; V71-K100 HydrophobicContact CG1-CG 3.99Å; V71-K100 PolarHBondContact N-O 2.87Å; V71-K100 WeakPolarHBondContact O-CB 3.41Å; V71-K100 PolarHBondContact O-N 3.08Å; K100-I102 HydrophobicContact CD-CG2 4.26Å; K100-I102 HydrophobicContact CG-CG2 4.04Å
101V97.8Very high91.9Very high2 Ų260.1 Ų60.11%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-89.9125.1177.5178.20000108.9L25 L26 P27 L49 F50 Y68 F70L25-V101 PolarHBondContact O-N 3.11Å; L26-V101 HydrophobicContact CD2-CB 4.46Å; L26-V101 HydrophobicContact CD2-CG2 3.98Å; P27-V101 HydrophobicContact CG-CG1 4.36Å; L49-V101 HydrophobicContact CD2-CG2 3.7Å; F50-V101 HydrophobicContact CE2-CG1 4.21Å; F50-V101 HydrophobicContact CZ-CG1 3.99Å; Y68-V101 HydrophobicContact CD1-CG1 3.73Å; Y68-V101 HydrophobicContact CD2-CG1 4.28Å; Y68-V101 HydrophobicContact CE1-CG1 4.48Å; Y68-V101 HydrophobicContact CG-CG1 3.6Å; F70-V101 HydrophobicContact CD1-CG2 3.94Å; F70-V101 HydrophobicContact CE1-CG2 3.62Å
102I96.6Very high91.9Very high23 Ų2361.3 Ų61.312%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-138.2156.7179.263.2164.7000111.5Y68 I69 V71 E81 K100Y68-I102 WeakPolarHBondContact CA-O 3.35Å; I69-I102 HydrophobicContact CD1-CD1 4.44Å; I69-I102 HydrophobicContact CD1-CG1 4.45Å; I69-I102 HydrophobicContact CG1-CD1 4.39Å; I69-I102 HydrophobicContact CG1-CG1 3.87Å; I69-I102 PolarHBondContact N-O 3.4Å; I69-I102 PolarHBondContact O-N 3.38Å; V71-I102 HydrophobicContact CB-CD1 3.86Å; V71-I102 HydrophobicContact CB-CG1 4.18Å; V71-I102 HydrophobicContact CG1-CB 4.5Å; V71-I102 HydrophobicContact CG1-CD1 3.88Å; V71-I102 HydrophobicContact CG1-CG1 3.99Å; V71-I102 HydrophobicContact CG1-CG2 3.71Å; V71-I102 HydrophobicContact CG2-CD1 4.38Å; E81-I102 HydrophobicContact CG-CD1 4.11Å; K100-I102 HydrophobicContact CD-CG2 4.26Å; K100-I102 HydrophobicContact CG-CG2 4.04Å
103E94.4Very high92Very high104 Ų10463.8 Ų63.849%0.48633%0.325SS..  trans-74.3139.7164.2-65.7177-134.700109.2Q63 Y68Q63-E103 PolarHBondContact NE2-OE1 3.21Å; Q63-E103 VanDerWaalsContact NE2-OE1 3.14Å; Y68-E103 HydrophobicContact CD1-CG 3.92Å; Y68-E103 HydrophobicContact CE1-CG 3.71Å
104P89.9Confident92.2Very high70 Ų7063.8 Ų63.846%0.45533%0.328SS..  trans-67.5134.8-179.427.3-33.9000111.3S67 I69 Y83S67-P104 VanDerWaalsContact O-CD 3.29Å; S67-P104 WeakPolarHBondContact O-CD 3.35Å; I69-P104 HydrophobicContact CD1-CB 4.03Å; I69-P104 HydrophobicContact CG1-CB 4.34Å; Y83-P104 HydrophobicContact CE1-CB 3.94Å
105V86.6Confident92Very high99 Ų9967.2 Ų67.260%0.634%0.341SS*.  trans-127.2142.3-177.9-179.40000110.6K111V105-K111 WeakPolarHBondContact O-CE 3.37Å; V105-K111 PolarHBondContact O-NZ 3.02Å
106G82.1Confident92.1Very high66 Ų6665.7 Ų65.768%0.6834%0.335SS*.SBendtrans86.7-168.2174.600000114.3R108G106-R108 PolarHBondContact O-N 3.19Å
107N86.1Confident92.2Very high88 Ų8861 Ų6147%0.47131%0.313SS..  trans-77.8108.6-179.9-174.7-32.1000110.5E109 E110 K111N107-E109 PolarHBondContact OD1-N 3.22Å; N107-E110 HydrophobicContact CB-CB 4.08Å; N107-E110 PolarHBondContact OD1-N 2.88Å; N107-E110 VanDerWaalsContact OD1-N 3.12Å; N107-K111 WeakPolarHBondContact O-CB 3.46Å; N107-K111 WeakPolarHBondContact O-CG 3.34Å; N107-K111 PolarHBondContact O-N 3.28Å; N107-K111 VanDerWaalsContact O-N 3.08Å
108R87.8Confident92.1Very high155 Ų15560.3 Ų60.359%0.58531%0.308SS*.Hα-helixtrans-58.5-46.8179.9178.2177.3179-175.82.2112.9Y83 G106 K111 I112Y83-R108 HydrophobicContact CD1-CG 3.76Å; Y83-R108 HydrophobicContact CE1-CB 4.31Å; Y83-R108 HydrophobicContact CE1-CG 3.91Å; Y83-R108 HydrophobicContact CG-CG 4.47Å; G106-R108 PolarHBondContact O-N 3.19Å; R108-K111 PolarHBondContact O-N 2.97Å; R108-I112 HydrophobicContact CG-CD1 3.77Å; R108-I112 VanDerWaalsContact O-CG1 3.29Å; R108-I112 WeakPolarHBondContact O-CG1 3.42Å; R108-I112 PolarHBondContact O-N 3.33Å
109E87.5Confident91.8Very high147 Ų14759 Ų5969%0.68730%0.302SS*.Hα-helixtrans-65.9-43.8-175.7-65.9178.5176.100111.4N107 K111 I112 L113N107-E109 PolarHBondContact OD1-N 3.22Å; E109-K111 PolarHBondContact O-N 3.11Å; E109-I112 PolarHBondContact O-N 3.43Å; E109-L113 WeakPolarHBondContact O-CB 3.4Å; E109-L113 PolarHBondContact O-N 3.48Å
110E89.3Confident91.8Very high39 Ų3959 Ų5918%0.18230%0.302CS..Hα-helixtrans-65.6-39.3177.6-174.3175.6-17300111.7N107 L113 N114 S306N107-E110 HydrophobicContact CB-CB 4.08Å; N107-E110 PolarHBondContact OD1-N 2.88Å; N107-E110 VanDerWaalsContact OD1-N 3.12Å; E110-L113 PolarHBondContact O-N 2.72Å; E110-N114 VanDerWaalsContact O-CB 3.28Å; E110-N114 WeakPolarHBondContact O-CB 3.11Å; E110-N114 PolarHBondContact O-N 3.23Å; E110-N114 PolarHBondContact O-ND2 3.05Å; E110-S306 WeakPolarHBondContact OE1-CB 3.28Å; E110-S306 PolarHBondContact OE1-N 2.81Å; E110-S306 PolarHBondContact OE1-OG 3.25Å; E110-S306 WeakPolarHBondContact OE2-CB 3.45Å
111K89.3Confident91.6Very high67 Ų6754.6 Ų54.629%0.29128%0.283SS..Hα-helixtrans-64.3-44.1176.3-78.5-176.4167.4-171.20112.3E81 Y83 V105 N107 R108 E109 N114 R115E81-K111 IonicContact OE1-NZ 2.79Å; E81-K111 PolarHBondContact OE1-NZ 2.88Å; E81-K111 WeakPolarHBondContact OE2-CD 3.29Å; E81-K111 IonicContact OE2-NZ 3.37Å; E81-K111 PolarHBondContact OE2-NZ 2.93Å; Y83-K111 HydrophobicContact CD2-CB 4.47Å; Y83-K111 HydrophobicContact CE2-CB 3.94Å; Y83-K111 HydrophobicContact CE2-CD 3.86Å; Y83-K111 WeakPolarHBondContact OH-CD 3.42Å; V105-K111 WeakPolarHBondContact O-CE 3.37Å; V105-K111 PolarHBondContact O-NZ 3.02Å; N107-K111 WeakPolarHBondContact O-CB 3.46Å; N107-K111 WeakPolarHBondContact O-CG 3.34Å; N107-K111 PolarHBondContact O-N 3.28Å; N107-K111 VanDerWaalsContact O-N 3.08Å; R108-K111 PolarHBondContact O-N 2.97Å; E109-K111 PolarHBondContact O-N 3.11Å; K111-N114 PolarHBondContact O-N 3.43Å; K111-R115 WeakPolarHBondContact O-CB 3.41Å; K111-R115 PolarHBondContact O-N 3.24Å
112I90.6Very high91.3Very high58 Ų5855 Ų5530%0.29729%0.287SS..Hα-helixtrans-60.3-49.9175.5-69.1166.4000110.1Y83 R108 E109 N114 R115 E116Y83-I112 HydrophobicContact CD2-CG1 4.34Å; Y83-I112 HydrophobicContact CG-CD1 4.45Å; Y83-I112 HydrophobicContact CG-CG1 4.09Å; R108-I112 HydrophobicContact CG-CD1 3.77Å; R108-I112 VanDerWaalsContact O-CG1 3.29Å; R108-I112 WeakPolarHBondContact O-CG1 3.42Å; R108-I112 PolarHBondContact O-N 3.33Å; E109-I112 PolarHBondContact O-N 3.43Å; I112-N114 PolarHBondContact O-N 3.13Å; I112-R115 PolarHBondContact O-N 3.07Å; I112-E116 PolarHBondContact O-N 2.83Å
113L92.4Very high90.9Very high52 Ų5254.5 Ų54.527%0.27228%0.284SS..Hα-helixtrans-62.8-43.6-180179.759.8000112E109 E110 R115 E116 I117 L699E109-L113 WeakPolarHBondContact O-CB 3.4Å; E109-L113 PolarHBondContact O-N 3.48Å; E110-L113 PolarHBondContact O-N 2.72Å; L113-R115 VanDerWaalsContact C-N 3.27Å; L113-R115 PolarHBondContact O-N 2.72Å; L113-E116 PolarHBondContact O-N 2.87Å; L113-I117 HydrophobicContact CD1-CD1 4Å; L113-I117 HydrophobicContact CD1-CG1 4.14Å; L113-I117 HydrophobicContact CD2-CD1 4.45Å; L113-I117 HydrophobicContact CG-CD1 3.74Å; L113-I117 HydrophobicContact CG-CG1 4.36Å; L113-I117 WeakPolarHBondContact O-CD1 3.4Å; L113-I117 WeakPolarHBondContact O-CG1 3.4Å; L113-I117 PolarHBondContact O-N 3.4Å; L113-L699 HydrophobicContact CD1-CD2 3.77Å
114N93.4Very high90.7Very high33 Ų3349.8 Ų49.818%0.17626%0.263CS..Hα-helixtrans-61.5-36.1176.9-75.8-14.8000112E110 K111 I112 G118 I125 R693E110-N114 VanDerWaalsContact O-CB 3.28Å; E110-N114 WeakPolarHBondContact O-CB 3.11Å; E110-N114 PolarHBondContact O-N 3.23Å; E110-N114 PolarHBondContact O-ND2 3.05Å; K111-N114 PolarHBondContact O-N 3.43Å; I112-N114 PolarHBondContact O-N 3.13Å; N114-G118 PolarHBondContact O-N 2.66Å; N114-I125 HydrophobicContact CB-CB 4.3Å; N114-I125 HydrophobicContact CB-CG1 4.24Å; N114-I125 WeakPolarHBondContact O-CG1 3.39Å; N114-R693 VanDerWaalsContact OD1-CZ 3.31Å; N114-R693 PolarHBondContact OD1-NH1 2.88Å; N114-R693 PolarHBondContact OD1-NH2 3.11Å
115R90.3Very high90.9Very high73 Ų7346.7 Ų46.728%0.27524%0.242SC..Hα-helixtrans-67.4-44.5173.9-177.6-89.4172.7-163.5-7.6111.6E80 K111 I112 L113 I117 G118 F119E80-R115 WeakPolarHBondContact OE1-CG 3.31Å; E80-R115 IonicContact OE1-NE 2.97Å; E80-R115 PolarHBondContact OE1-NE 2.87Å; K111-R115 WeakPolarHBondContact O-CB 3.41Å; K111-R115 PolarHBondContact O-N 3.24Å; I112-R115 PolarHBondContact O-N 3.07Å; L113-R115 VanDerWaalsContact C-N 3.27Å; L113-R115 PolarHBondContact O-N 2.72Å; R115-I117 VanDerWaalsContact C-N 3.35Å; R115-G118 PolarHBondContact O-N 2.81Å; R115-F119 VanDerWaalsContact O-CB 3.29Å; R115-F119 WeakPolarHBondContact O-CB 3.38Å; R115-F119 PolarHBondContact O-N 2.67Å
116E93.9Very high91Very high47 Ų4744.3 Ų44.322%0.2223%0.229CC..Hα-helixtrans-60.6-44.5176-71.4-177.3-174.500111.5I112 L113 F119 A120 L699I112-E116 PolarHBondContact O-N 2.83Å; L113-E116 PolarHBondContact O-N 2.87Å; E116-F119 PolarHBondContact O-N 3.43Å; E116-A120 PolarHBondContact O-N 3.42Å; E116-L699 HydrophobicContact CB-CD2 3.95Å; E116-L699 HydrophobicContact CB-CG 4.47Å
117I96.7Very high91.3Very high0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-62.4-50.1175.3-63.8161.4000110.3L113 R115 F119 A120 I121 I125 C692 R693 L699L113-I117 HydrophobicContact CD1-CD1 4Å; L113-I117 HydrophobicContact CD1-CG1 4.14Å; L113-I117 HydrophobicContact CD2-CD1 4.45Å; L113-I117 HydrophobicContact CG-CD1 3.74Å; L113-I117 HydrophobicContact CG-CG1 4.36Å; L113-I117 WeakPolarHBondContact O-CD1 3.4Å; L113-I117 WeakPolarHBondContact O-CG1 3.4Å; L113-I117 PolarHBondContact O-N 3.4Å; R115-I117 VanDerWaalsContact C-N 3.35Å; I117-F119 VanDerWaalsContact C-N 3.26Å; I117-F119 PolarHBondContact O-N 3.38Å; I117-A120 PolarHBondContact O-N 2.82Å; I117-A120 VanDerWaalsContact O-N 3.14Å; I117-I121 HydrophobicContact CG2-CD1 3.5Å; I117-I121 VanDerWaalsContact CG2-CD1 3.5Å; I117-I121 HydrophobicContact CG2-CG1 4.15Å; I117-I121 VanDerWaalsContact O-CG1 3.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.41Å; I117-I121 PolarHBondContact O-N 3.09Å; I117-I125 HydrophobicContact CB-CD1 4.23Å; I117-I125 HydrophobicContact CB-CG1 4.29Å; I117-I125 HydrophobicContact CG2-CD1 3.51Å; I117-I125 HydrophobicContact CG2-CG1 4.12Å; I117-C692 HydrophobicContact CB-CB 4.24Å; I117-C692 HydrophobicContact CG1-CB 3.82Å; I117-C692 HydrophobicContact CG2-CB 3.76Å; I117-R693 HydrophobicContact CD1-CB 4.43Å; I117-R693 HydrophobicContact CD1-CG 3.41Å; I117-R693 VanDerWaalsContact CD1-CG 3.41Å; I117-L699 HydrophobicContact CG1-CD2 3.88Å
118G94.8Very high91.7Very high4 Ų439.1 Ų39.14%0.04118%0.184CC..Hα-helixtrans-59.8-37.8-179.800000112.5N114 R115 I121 G122 M123N114-G118 PolarHBondContact O-N 2.66Å; R115-G118 PolarHBondContact O-N 2.81Å; G118-I121 PolarHBondContact O-N 3.47Å; G118-G122 WeakPolarHBondContact O-CA 3.18Å; G118-G122 PolarHBondContact O-N 3.35Å; G118-M123 WeakPolarHBondContact CA-O 3.38Å; G118-M123 PolarHBondContact O-N 2.77Å; G118-M123 VanDerWaalsContact O-N 3.14Å
119F92.6Very high91.7Very high20 Ų2034.2 Ų34.29%0.08817%0.17CC..Hα-helixtrans-61.8-48.6173.6-179.4-84.6000112.2R93 R115 E116 I117 G122 S703 V706 E707R93-F119 VanDerWaalsContact NH2-CZ 3.35Å; R115-F119 VanDerWaalsContact O-CB 3.29Å; R115-F119 WeakPolarHBondContact O-CB 3.38Å; R115-F119 PolarHBondContact O-N 2.67Å; E116-F119 PolarHBondContact O-N 3.43Å; I117-F119 VanDerWaalsContact C-N 3.26Å; I117-F119 PolarHBondContact O-N 3.38Å; F119-G122 PolarHBondContact O-N 3.08Å; F119-S703 WeakPolarHBondContact CE1-O 3.27Å; F119-V706 HydrophobicContact CD1-CG1 4.37Å; F119-V706 HydrophobicContact CE1-CB 4.16Å; F119-V706 HydrophobicContact CE1-CG1 3.92Å; F119-E707 HydrophobicContact CE1-CB 4.27Å; F119-E707 HydrophobicContact CZ-CB 3.92Å; F119-E707 HydrophobicContact CZ-CG 4.41Å
120A96.4Very high91.8Very high0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-64.1-41179.500000111.9E116 I117 F668 K672 L699E116-A120 PolarHBondContact O-N 3.42Å; I117-A120 PolarHBondContact O-N 2.82Å; I117-A120 VanDerWaalsContact O-N 3.14Å; A120-F668 HydrophobicContact CB-CE2 4.01Å; A120-F668 HydrophobicContact CB-CZ 4.1Å; A120-F668 WeakPolarHBondContact O-CZ 3.48Å; A120-K672 WeakPolarHBondContact O-CD 3.33Å; A120-K672 WeakPolarHBondContact O-CE 3.21Å; A120-L699 HydrophobicContact CB-CD1 3.81Å
121I95.6Very high91.9Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-70.7-34.3177.3-63.1178.3000111.3I117 G118 M123 I125 K672 M675 L688 E689I117-I121 HydrophobicContact CG2-CD1 3.5Å; I117-I121 VanDerWaalsContact CG2-CD1 3.5Å; I117-I121 HydrophobicContact CG2-CG1 4.15Å; I117-I121 VanDerWaalsContact O-CG1 3.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.41Å; I117-I121 PolarHBondContact O-N 3.09Å; G118-I121 PolarHBondContact O-N 3.47Å; I121-M123 HydrophobicContact CG2-CB 3.97Å; I121-I125 HydrophobicContact CD1-CD1 4.1Å; I121-K672 WeakPolarHBondContact O-CD 3.44Å; I121-K672 WeakPolarHBondContact O-CE 3.12Å; I121-K672 PolarHBondContact O-NZ 3.29Å; I121-M675 HydrophobicContact CG2-CE 3.76Å; I121-L688 HydrophobicContact CD1-CB 3.9Å; I121-L688 HydrophobicContact CG1-CB 3.75Å; I121-L688 HydrophobicContact CG1-CD1 4.48Å; I121-L688 HydrophobicContact CG2-CD1 4.38Å; I121-E689 HydrophobicContact CD1-CB 4.1Å
122G90.6Very high91.9Very high9 Ų940.5 Ų40.59%0.09320%0.203CC..THydrogen-bonded Turntrans75.428.1-16800000113.2G118 F119G118-G122 WeakPolarHBondContact O-CA 3.18Å; G118-G122 PolarHBondContact O-N 3.35Å; F119-G122 PolarHBondContact O-N 3.08Å
123M89.8Confident92Very high14 Ų1441.4 Ų41.47%0.06921%0.209CC..SBendtrans-151.8133.9174.9-179-179.3-68.700109.2G118 I121 E127 F128 M675G118-M123 WeakPolarHBondContact CA-O 3.38Å; G118-M123 PolarHBondContact O-N 2.77Å; G118-M123 VanDerWaalsContact O-N 3.14Å; I121-M123 HydrophobicContact CG2-CB 3.97Å; M123-E127 HydrophobicContact CG-CG 4.38Å; M123-F128 HydrophobicContact SD-CE1 4.11Å; M123-F128 HydrophobicContact SD-CZ 3.82Å; M123-M675 HydrophobicContact CE-CE 4.1Å
124P89.9Confident92Very high5 Ų540.3 Ų40.33%0.03221%0.207CC..  trans-62.6139.3177.3-26.536.5000113.8E76 E78 C126 E127E76-P124 HydrophobicContact CB-CG 4.08Å; E76-P124 VanDerWaalsContact OE2-CD 3.29Å; E76-P124 WeakPolarHBondContact OE2-CD 3.48Å; E76-P124 VanDerWaalsContact OE2-CG 3.29Å; E76-P124 WeakPolarHBondContact OE2-CG 3.32Å; E78-P124 HydrophobicContact CB-CG 4.22Å; E78-P124 VanDerWaalsContact OE2-CB 3.27Å; E78-P124 WeakPolarHBondContact OE2-CB 3.16Å; E78-P124 VanDerWaalsContact OE2-CG 3.31Å; E78-P124 WeakPolarHBondContact OE2-CG 3.39Å; P124-C126 VanDerWaalsContact C-N 3.26Å; P124-C126 PolarHBondContact O-N 3.38Å; P124-E127 HydrophobicContact CB-CG 4.24Å; P124-E127 WeakPolarHBondContact O-CB 3.43Å; P124-E127 PolarHBondContact O-N 3.3Å
125I92.7Very high92.1Very high5 Ų540.3 Ų40.33%0.02621%0.206CC..Hα-helixtrans-64.7-31.8177.4-63.5-55.4000112.3N114 I117 I121 E127 F128 E689N114-I125 HydrophobicContact CB-CB 4.3Å; N114-I125 HydrophobicContact CB-CG1 4.24Å; N114-I125 WeakPolarHBondContact O-CG1 3.39Å; I117-I125 HydrophobicContact CB-CD1 4.23Å; I117-I125 HydrophobicContact CB-CG1 4.29Å; I117-I125 HydrophobicContact CG2-CD1 3.51Å; I117-I125 HydrophobicContact CG2-CG1 4.12Å; I121-I125 HydrophobicContact CD1-CD1 4.1Å; I125-E127 PolarHBondContact O-N 2.82Å; I125-E127 VanDerWaalsContact O-N 3.13Å; I125-F128 HydrophobicContact CD1-CD2 4.39Å; I125-F128 HydrophobicContact CD1-CE2 4.44Å; I125-F128 PolarHBondContact O-N 3.3Å; I125-E689 HydrophobicContact CD1-CB 4.22Å; I125-E689 HydrophobicContact CD1-CG 3.92Å; I125-E689 WeakPolarHBondContact CG2-OE1 3.48Å
126C89.1Confident92.4Very high48 Ų4836.9 Ų36.932%0.32419%0.193SC..Hα-helixtrans-61.9-21.5178.765.70000112.7E78 P124 F128 D129 L130E78-C126 PolarHBondContact OE1-SG 3.27Å; P124-C126 VanDerWaalsContact C-N 3.26Å; P124-C126 PolarHBondContact O-N 3.38Å; C126-F128 VanDerWaalsContact C-N 3.29Å; C126-F128 PolarHBondContact O-N 3.02Å; C126-D129 PolarHBondContact O-N 3.03Å; C126-L130 WeakPolarHBondContact O-CG 3.29Å; C126-L130 PolarHBondContact O-N 3.12Å
127E89.6Confident92.4Very high40 Ų4036 Ų3619%0.18719%0.189CC..Hα-helixtrans-61.3-40.7173.5-65.2-145.2171.900111.4M1 M123 P124 I125 D129 L130 V131M1-E127 WeakPolarHBondContact CA-OE1 3.31Å; M1-E127 WeakPolarHBondContact CB-OE1 3.42Å; M1-E127 PolarHBondContact N-OE1 2.68Å; M1-E127 PolarHBondContact N-OE2 3.09Å; M123-E127 HydrophobicContact CG-CG 4.38Å; P124-E127 HydrophobicContact CB-CG 4.24Å; P124-E127 WeakPolarHBondContact O-CB 3.43Å; P124-E127 PolarHBondContact O-N 3.3Å; I125-E127 PolarHBondContact O-N 2.82Å; I125-E127 VanDerWaalsContact O-N 3.13Å; E127-D129 VanDerWaalsContact C-N 3.32Å; E127-D129 PolarHBondContact O-N 3.17Å; E127-L130 PolarHBondContact O-N 3.19Å; E127-V131 WeakPolarHBondContact O-CG2 3.42Å
128F92.7Very high92.3Very high5 Ų537.1 Ų37.12%0.02220%0.195CC..Hα-helixtrans-68.8-30.7176.6-60.1-52.1000112.4M123 I125 C126 L130 V131 Q137 L686M123-F128 HydrophobicContact SD-CE1 4.11Å; M123-F128 HydrophobicContact SD-CZ 3.82Å; I125-F128 HydrophobicContact CD1-CD2 4.39Å; I125-F128 HydrophobicContact CD1-CE2 4.44Å; I125-F128 PolarHBondContact O-N 3.3Å; C126-F128 VanDerWaalsContact C-N 3.29Å; C126-F128 PolarHBondContact O-N 3.02Å; F128-L130 PolarHBondContact O-N 3.36Å; F128-V131 PolarHBondContact O-N 3.45Å; F128-Q137 PolarHBondContact O-NE2 2.81Å; F128-L686 HydrophobicContact CB-CD2 4.22Å; F128-L686 HydrophobicContact CD1-CD2 3.55Å; F128-L686 HydrophobicContact CD1-CG 4Å; F128-L686 HydrophobicContact CD2-CD2 4.27Å; F128-L686 HydrophobicContact CE1-CD2 3.95Å; F128-L686 HydrophobicContact CE1-CG 3.9Å; F128-L686 HydrophobicContact CG-CD2 3.75Å; F128-L686 HydrophobicContact CZ-CD2 4.47Å; F128-L686 HydrophobicContact CZ-CG 4.4Å
129D89.4Confident92.4Very high53 Ų5337.2 Ų37.228%0.28319%0.194SC..Hα-helixtrans-66.6-26.3176-65.1-30.2000112.7C126 E127 R140C126-D129 PolarHBondContact O-N 3.03Å; E127-D129 VanDerWaalsContact C-N 3.32Å; E127-D129 PolarHBondContact O-N 3.17Å; D129-R140 IonicContact OD1-CZ 3.91Å; D129-R140 IonicContact OD1-NH1 3.4Å; D129-R140 PolarHBondContact OD1-NH1 3.22Å; D129-R140 IonicContact OD1-NH2 3.19Å; D129-R140 PolarHBondContact OD1-NH2 2.63Å; D129-R140 VanDerWaalsContact OD1-NH2 3.09Å
130L89.5Confident92.6Very high144 Ų14436.4 Ų36.475%0.75419%0.191SC*.THydrogen-bonded Turntrans-86.5-11.9180-65.1172.7000113.4C126 E127 F128 K132C126-L130 WeakPolarHBondContact O-CG 3.29Å; C126-L130 PolarHBondContact O-N 3.12Å; E127-L130 PolarHBondContact O-N 3.19Å; F128-L130 PolarHBondContact O-N 3.36Å; L130-K132 PolarHBondContact O-N 3.05Å
131V90.9Very high92.6Very high36 Ų3638.4 Ų38.422%0.21820%0.198CC..  trans-70.1120.3179.7178.90000109.8E127 F128 D133 V136 Q137E127-V131 WeakPolarHBondContact O-CG2 3.42Å; F128-V131 PolarHBondContact O-N 3.45Å; V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 HydrophobicContact CG1-CB 3.74Å; V131-V136 HydrophobicContact CB-CG1 4.1Å; V131-V136 HydrophobicContact CG1-CB 3.93Å; V131-V136 HydrophobicContact CG1-CG1 3.91Å; V131-V136 HydrophobicContact CG1-CG2 3.96Å; V131-Q137 PolarHBondContact O-NE2 2.88Å
132K89.7Confident92.6Very high205 Ų20541.5 Ų41.589%0.89122%0.215SC*.  trans-80.2-12.3-179.7-64.6-174178.5-176.90114.2L130 A134L130-K132 PolarHBondContact O-N 3.05Å; K132-A134 PolarHBondContact O-N 2.75Å
133D91.4Very high93Very high76 Ų7641.1 Ų41.141%0.40621%0.211SC..  trans-63124.3178.9-165.5-30.1000110.5V131 E135 V136 Q137V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 HydrophobicContact CG1-CB 3.74Å; D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 WeakPolarHBondContact OD1-CB 3.36Å; D133-E135 PolarHBondContact OD1-N 3.45Å; D133-V136 HydrophobicContact CB-CB 4.21Å; D133-V136 HydrophobicContact CB-CG2 3.96Å; D133-V136 PolarHBondContact O-N 2.84Å; D133-Q137 PolarHBondContact O-N 3.15Å
134A92.5Very high93.4Very high29 Ų2940.6 Ų40.624%0.2421%0.208CC..Hα-helixtrans-66.5-35.8-179.300000112K132 V136 Q137 D138 A314K132-A134 PolarHBondContact O-N 2.75Å; A134-V136 VanDerWaalsContact C-N 3.29Å; A134-V136 PolarHBondContact O-N 2.96Å; A134-Q137 PolarHBondContact O-N 3.48Å; A134-D138 WeakPolarHBondContact O-CB 3.22Å; A134-D138 PolarHBondContact O-N 2.88Å; A134-A314 HydrophobicContact CB-CB 4.17Å
135E96Very high93.7Very high34 Ų3444.8 Ų44.816%0.15923%0.23CC..Hα-helixtrans-61.3-42.2179-171-176.2163.800110.6D133 D138 F139 Y432 Y644 L645D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 WeakPolarHBondContact OD1-CB 3.36Å; D133-E135 PolarHBondContact OD1-N 3.45Å; E135-D138 PolarHBondContact O-N 2.9Å; E135-F139 VanDerWaalsContact O-CB 3.3Å; E135-F139 WeakPolarHBondContact O-CB 3.42Å; E135-F139 PolarHBondContact O-N 3.07Å; E135-Y432 HydrophobicContact CB-CD1 3.67Å; E135-Y432 HydrophobicContact CB-CE1 3.82Å; E135-Y432 HydrophobicContact CB-CG 4.13Å; E135-Y432 HydrophobicContact CG-CD1 3.84Å; E135-Y432 HydrophobicContact CG-CD2 4.29Å; E135-Y432 HydrophobicContact CG-CE1 4.39Å; E135-Y432 HydrophobicContact CG-CG 3.78Å; E135-Y644 WeakPolarHBondContact OE1-CA 3.49Å; E135-Y644 VanDerWaalsContact OE1-CB 3.31Å; E135-Y644 WeakPolarHBondContact OE1-CB 3.38Å; E135-L645 HydrophobicContact CG-CB 4.46Å; E135-L645 HydrophobicContact CG-CD1 4.16Å; E135-L645 HydrophobicContact CG-CG 4.4Å; E135-L645 PolarHBondContact OE1-N 3.31Å
136V96Very high94Very high0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-61.8-47.1177.2169.80000111V131 D133 A134 F139 R140 L645 Q682 L686V131-V136 HydrophobicContact CB-CG1 4.1Å; V131-V136 HydrophobicContact CG1-CB 3.93Å; V131-V136 HydrophobicContact CG1-CG1 3.91Å; V131-V136 HydrophobicContact CG1-CG2 3.96Å; D133-V136 HydrophobicContact CB-CB 4.21Å; D133-V136 HydrophobicContact CB-CG2 3.96Å; D133-V136 PolarHBondContact O-N 2.84Å; A134-V136 VanDerWaalsContact C-N 3.29Å; A134-V136 PolarHBondContact O-N 2.96Å; V136-F139 PolarHBondContact O-N 3.21Å; V136-R140 WeakPolarHBondContact O-CG 3.47Å; V136-R140 PolarHBondContact O-N 2.95Å; V136-R140 VanDerWaalsContact O-N 3.09Å; V136-L645 HydrophobicContact CB-CD1 4.36Å; V136-L645 HydrophobicContact CG2-CD1 3.69Å; V136-Q682 HydrophobicContact CG2-CG 4.44Å; V136-L686 HydrophobicContact CB-CD1 4.46Å; V136-L686 HydrophobicContact CG1-CD1 3.9Å; V136-L686 HydrophobicContact CG1-CD2 3.89Å; V136-L686 HydrophobicContact CG2-CD1 4.19Å
137Q94.6Very high94.5Very high28 Ų2842.6 Ų42.613%0.13122%0.216CC..Hα-helixtrans-71.2-36.3-178.7-59.7-55-30.300112.5F128 V131 D133 A134 R141F128-Q137 PolarHBondContact O-NE2 2.81Å; V131-Q137 PolarHBondContact O-NE2 2.88Å; D133-Q137 PolarHBondContact O-N 3.15Å; A134-Q137 PolarHBondContact O-N 3.48Å; Q137-R141 VanDerWaalsContact O-CZ 3.25Å; Q137-R141 PolarHBondContact O-N 3.02Å; Q137-R141 PolarHBondContact O-NH1 2.71Å
138D95.1Very high94.8Very high25 Ų2544.6 Ų44.613%0.13422%0.224CC..Hα-helixtrans-65.6-45.1174-79.6-20.3000110.9A134 E135 R140 R141 N142 Y432A134-D138 WeakPolarHBondContact O-CB 3.22Å; A134-D138 PolarHBondContact O-N 2.88Å; E135-D138 PolarHBondContact O-N 2.9Å; D138-R140 PolarHBondContact O-N 3.27Å; D138-R141 PolarHBondContact O-N 3.08Å; D138-R141 IonicContact OD1-CZ 3.02Å; D138-R141 IonicContact OD1-NE 2.76Å; D138-R141 IonicContact OD1-NH2 2.67Å; D138-R141 PolarHBondContact OD1-NH2 3Å; D138-N142 WeakPolarHBondContact O-CB 3.28Å; D138-N142 PolarHBondContact O-N 3.06Å; D138-N142 PolarHBondContact O-ND2 3.4Å; D138-Y432 HydrophobicContact CB-CE2 4.27Å; D138-Y432 WeakPolarHBondContact OD2-CE2 3.32Å; D138-Y432 PolarHBondContact OD2-OH 3.05Å
139F97.3Very high95Very high6 Ų649.2 Ų49.23%0.02625%0.245CC..Hα-helixtrans-54.5-51.6174.2174.3-94000111.3E135 V136 R141 N142 I143 L645 D646 L686 L687E135-F139 VanDerWaalsContact O-CB 3.3Å; E135-F139 WeakPolarHBondContact O-CB 3.42Å; E135-F139 PolarHBondContact O-N 3.07Å; V136-F139 PolarHBondContact O-N 3.21Å; F139-R141 PolarHBondContact O-N 2.85Å; F139-N142 PolarHBondContact O-N 3.49Å; F139-I143 HydrophobicContact CD1-CG2 4.47Å; F139-I143 HydrophobicContact CE1-CB 4.36Å; F139-I143 HydrophobicContact CE1-CG1 4.48Å; F139-I143 HydrophobicContact CE1-CG2 4.14Å; F139-I143 HydrophobicContact CE2-CB 4.23Å; F139-I143 HydrophobicContact CE2-CD1 4.06Å; F139-I143 HydrophobicContact CE2-CG1 4.12Å; F139-I143 HydrophobicContact CZ-CB 4.13Å; F139-I143 HydrophobicContact CZ-CD1 4.24Å; F139-I143 HydrophobicContact CZ-CG1 3.88Å; F139-I143 HydrophobicContact CZ-CG2 4.36Å; F139-I143 VanDerWaalsContact O-CB 3.27Å; F139-I143 WeakPolarHBondContact O-CB 3.35Å; F139-I143 WeakPolarHBondContact O-CG2 3.31Å; F139-I143 PolarHBondContact O-N 3.12Å; F139-L645 HydrophobicContact CB-CB 4Å; F139-L645 HydrophobicContact CB-CD1 4.29Å; F139-L645 HydrophobicContact CD2-CB 3.76Å; F139-L645 HydrophobicContact CE2-CB 4.45Å; F139-L645 VanDerWaalsContact CE2-O 3.29Å; F139-L645 WeakPolarHBondContact CE2-O 3.3Å; F139-L645 HydrophobicContact CG-CB 3.9Å; F139-D646 HydrophobicContact CD2-CB 3.97Å; F139-L686 HydrophobicContact CD1-CB 3.83Å; F139-L686 HydrophobicContact CD1-CD1 4.35Å; F139-L686 HydrophobicContact CE1-CB 3.59Å; F139-L687 HydrophobicContact CZ-CD1 4.4Å
140R96.9Very high95.4Very high2 Ų246.7 Ų46.71%0.00823%0.232CC..Hα-helixtrans-55.8-38.1-179.1-71.8177.679.5-152.33.7112.4D129 V136 D138 L144 Y307 L686 E689D129-R140 IonicContact OD1-CZ 3.91Å; D129-R140 IonicContact OD1-NH1 3.4Å; D129-R140 PolarHBondContact OD1-NH1 3.22Å; D129-R140 IonicContact OD1-NH2 3.19Å; D129-R140 PolarHBondContact OD1-NH2 2.63Å; D129-R140 VanDerWaalsContact OD1-NH2 3.09Å; V136-R140 WeakPolarHBondContact O-CG 3.47Å; V136-R140 PolarHBondContact O-N 2.95Å; V136-R140 VanDerWaalsContact O-N 3.09Å; D138-R140 PolarHBondContact O-N 3.27Å; R140-L144 WeakPolarHBondContact O-CG 3.27Å; R140-Y307 HydrophobicContact CB-CD2 4.31Å; R140-Y307 HydrophobicContact CB-CE2 3.91Å; R140-Y307 VanDerWaalsContact O-CE2 3.28Å; R140-Y307 WeakPolarHBondContact O-CE2 3.42Å; R140-L686 HydrophobicContact CG-CD2 3.51Å; R140-E689 IonicContact CZ-OE1 2.68Å; R140-E689 IonicContact CZ-OE2 4Å; R140-E689 IonicContact NE-OE1 3.59Å; R140-E689 IonicContact NE-OE2 3.24Å; R140-E689 PolarHBondContact NE-OE2 3.28Å; R140-E689 IonicContact NH2-OE1 3.91Å; R140-E689 PolarHBondContact NH2-OE1 3.38Å; R140-E689 IonicContact NH2-OE2 3.84Å
141R95.5Very high95.7Very high42 Ų4240 Ų4016%0.15820%0.197CC..Hα-helixtrans-75-52.4176.7-72.3-174.4-69.4-86.4-0.2112Q137 D138 F139 I143 L144 Y307 S312Q137-R141 VanDerWaalsContact O-CZ 3.25Å; Q137-R141 PolarHBondContact O-N 3.02Å; Q137-R141 PolarHBondContact O-NH1 2.71Å; D138-R141 PolarHBondContact O-N 3.08Å; D138-R141 IonicContact OD1-CZ 3.02Å; D138-R141 IonicContact OD1-NE 2.76Å; D138-R141 IonicContact OD1-NH2 2.67Å; D138-R141 PolarHBondContact OD1-NH2 3Å; F139-R141 PolarHBondContact O-N 2.85Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 3.25Å; R141-L144 WeakPolarHBondContact O-CB 3.41Å; R141-L144 PolarHBondContact O-N 3.04Å; R141-Y307 HydrophobicContact CG-CD2 4.34Å; R141-S312 PolarHBondContact NH2-OG 3.09Å; R141-S312 VanDerWaalsContact NH2-OG 3.14Å
142N96.3Very high95.9Very high65 Ų6541.8 Ų41.835%0.34821%0.205SC..Hα-helixtrans-69.1-30.6-170.3-65.1-13.5000112.8D138 F139 L144 N145 D646D138-N142 WeakPolarHBondContact O-CB 3.28Å; D138-N142 PolarHBondContact O-N 3.06Å; D138-N142 PolarHBondContact O-ND2 3.4Å; F139-N142 PolarHBondContact O-N 3.49Å; N142-L144 PolarHBondContact O-N 2.83Å; N142-N145 PolarHBondContact O-N 3.35Å; N142-D646 WeakPolarHBondContact CB-OD2 3.29Å
143I98.1Very high96.1Very high1 Ų136.7 Ų36.71%0.00519%0.187CC..THydrogen-bonded Turntrans-70-21.4179.5-159.262.6000112.3F139 R141 N145 V146 C147 R651 L654F139-I143 HydrophobicContact CD1-CG2 4.47Å; F139-I143 HydrophobicContact CE1-CB 4.36Å; F139-I143 HydrophobicContact CE1-CG1 4.48Å; F139-I143 HydrophobicContact CE1-CG2 4.14Å; F139-I143 HydrophobicContact CE2-CB 4.23Å; F139-I143 HydrophobicContact CE2-CD1 4.06Å; F139-I143 HydrophobicContact CE2-CG1 4.12Å; F139-I143 HydrophobicContact CZ-CB 4.13Å; F139-I143 HydrophobicContact CZ-CD1 4.24Å; F139-I143 HydrophobicContact CZ-CG1 3.88Å; F139-I143 HydrophobicContact CZ-CG2 4.36Å; F139-I143 VanDerWaalsContact O-CB 3.27Å; F139-I143 WeakPolarHBondContact O-CB 3.35Å; F139-I143 WeakPolarHBondContact O-CG2 3.31Å; F139-I143 PolarHBondContact O-N 3.12Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 3.25Å; I143-N145 PolarHBondContact O-N 2.89Å; I143-V146 HydrophobicContact CD1-CG2 4.15Å; I143-V146 WeakPolarHBondContact O-CB 3.47Å; I143-V146 PolarHBondContact O-N 3.24Å; I143-C147 PolarHBondContact O-N 3.27Å; I143-R651 HydrophobicContact CD1-CG 4.05Å; I143-L654 HydrophobicContact CD1-CD2 3.72Å; I143-L654 HydrophobicContact CG1-CD2 3.41Å; I143-L654 VanDerWaalsContact CG1-CD2 3.41Å
144L97.9Very high96.2Very high4 Ų433.6 Ų33.62%0.02117%0.17CC..Hα-helixtrans-62.7-22.3176.9-64.8172.4000112.9R140 R141 N142 V146 C147 K148 F302 M304 P305 Y307 A308R140-L144 WeakPolarHBondContact O-CG 3.27Å; R141-L144 WeakPolarHBondContact O-CB 3.41Å; R141-L144 PolarHBondContact O-N 3.04Å; N142-L144 PolarHBondContact O-N 2.83Å; L144-V146 VanDerWaalsContact C-N 3.31Å; L144-C147 WeakPolarHBondContact O-CB 3.33Å; L144-C147 PolarHBondContact O-N 2.69Å; L144-K148 WeakPolarHBondContact O-CB 3.27Å; L144-K148 PolarHBondContact O-N 3.38Å; L144-F302 HydrophobicContact CD2-CZ 4.2Å; L144-M304 HydrophobicContact CB-SD 4.22Å; L144-M304 HydrophobicContact CD1-SD 4.11Å; L144-P305 HydrophobicContact CD1-CG 3.82Å; L144-P305 HydrophobicContact CD2-CG 4.08Å; L144-Y307 HydrophobicContact CD1-CE2 3.74Å; L144-Y307 HydrophobicContact CG-CE2 4.39Å; L144-A308 HydrophobicContact CD1-CB 3.73Å
145N97.5Very high96.1Very high93 Ų9335.3 Ų35.350%0.49718%0.175SC..Hα-helixtrans-61.2-43.4172.8-66.8-17.3000110.7N142 I143 K148 E149N142-N145 PolarHBondContact O-N 3.35Å; I143-N145 PolarHBondContact O-N 2.89Å; N145-K148 PolarHBondContact O-N 3Å; N145-E149 WeakPolarHBondContact O-CB 3.39Å; N145-E149 WeakPolarHBondContact O-CG 3.29Å; N145-E149 PolarHBondContact O-N 3.46Å
146V98.5Very high96Very high7 Ų738.2 Ų38.24%0.04220%0.195CC..Hα-helixtrans-64-44.3175.6-179.20000110.4I143 L144 K148 E149 S150 R651 L654 K655I143-V146 HydrophobicContact CD1-CG2 4.15Å; I143-V146 WeakPolarHBondContact O-CB 3.47Å; I143-V146 PolarHBondContact O-N 3.24Å; L144-V146 VanDerWaalsContact C-N 3.31Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.08Å; V146-E149 PolarHBondContact O-N 2.98Å; V146-S150 WeakPolarHBondContact O-CB 3.37Å; V146-S150 PolarHBondContact O-N 3.38Å; V146-S150 PolarHBondContact O-OG 3.14Å; V146-R651 HydrophobicContact CG2-CB 4.03Å; V146-R651 HydrophobicContact CG2-CG 3.96Å; V146-L654 HydrophobicContact CB-CD2 4.24Å; V146-L654 HydrophobicContact CG1-CB 4.26Å; V146-L654 HydrophobicContact CG1-CD2 4.08Å; V146-L654 HydrophobicContact CG1-CG 4.1Å; V146-K655 HydrophobicContact CG1-CB 3.81Å
147C98.4Very high95.7Very high0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-55.8-49.5175.9-62.90000111.4I143 L144 S150 V151 F302 L658 S690 A694I143-C147 PolarHBondContact O-N 3.27Å; L144-C147 WeakPolarHBondContact O-CB 3.33Å; L144-C147 PolarHBondContact O-N 2.69Å; C147-S150 PolarHBondContact O-N 2.99Å; C147-V151 WeakPolarHBondContact O-CG2 3.4Å; C147-V151 PolarHBondContact O-N 3.41Å; C147-F302 HydrophobicContact CB-CE2 3.93Å; C147-F302 HydrophobicContact CB-CZ 3.74Å; C147-L658 HydrophobicContact CB-CD1 4.48Å; C147-S690 PolarHBondContact SG-O 3.3Å; C147-S690 VanDerWaalsContact SG-O 3.39Å; C147-A694 HydrophobicContact CB-CB 3.72Å
148K96.6Very high95.5Very high82 Ų8243.2 Ų43.236%0.35723%0.228SC..Hα-helixtrans-65.2-47.9-177.9-177.854.1179157.20111.7L144 N145 V146 S150 V151 D152 F302 M304L144-K148 WeakPolarHBondContact O-CB 3.27Å; L144-K148 PolarHBondContact O-N 3.38Å; N145-K148 PolarHBondContact O-N 3Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.08Å; K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 3.35Å; K148-V151 PolarHBondContact O-N 3.02Å; K148-D152 WeakPolarHBondContact CE-OD1 3.43Å; K148-D152 WeakPolarHBondContact CE-OD2 3.29Å; K148-D152 IonicContact NZ-OD1 3.69Å; K148-D152 PolarHBondContact NZ-OD1 3.47Å; K148-D152 IonicContact NZ-OD2 2.98Å; K148-D152 PolarHBondContact NZ-OD2 2.97Å; K148-D152 WeakPolarHBondContact O-CB 3.47Å; K148-D152 VanDerWaalsContact O-CG 3.25Å; K148-D152 PolarHBondContact O-N 3.49Å; K148-F302 HydrophobicContact CB-CE1 4.21Å; K148-F302 HydrophobicContact CD-CD1 4.11Å; K148-F302 HydrophobicContact CD-CE1 4.33Å; K148-M304 HydrophobicContact CB-CE 3.98Å; K148-M304 HydrophobicContact CG-CE 4.2Å
149E96.9Very high95.4Very high102 Ų10244.3 Ų44.348%0.47724%0.237SC..Hα-helixtrans-56.3-45.8175.4-76.9178.5-155.100112.4N145 V146 D152 L153 K655N145-E149 WeakPolarHBondContact O-CB 3.39Å; N145-E149 WeakPolarHBondContact O-CG 3.29Å; N145-E149 PolarHBondContact O-N 3.46Å; V146-E149 PolarHBondContact O-N 2.98Å; E149-D152 PolarHBondContact O-N 3.41Å; E149-L153 WeakPolarHBondContact O-CB 3.48Å; E149-L153 PolarHBondContact O-N 3.2Å; E149-K655 IonicContact OE2-NZ 2.8Å; E149-K655 PolarHBondContact OE2-NZ 3.31Å
150S97.5Very high95.2Very high0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-66.6-40.1179.6-71.40000112.3V146 C147 K148 L153 R154 K655V146-S150 WeakPolarHBondContact O-CB 3.37Å; V146-S150 PolarHBondContact O-N 3.38Å; V146-S150 PolarHBondContact O-OG 3.14Å; C147-S150 PolarHBondContact O-N 2.99Å; K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 3.35Å; S150-L153 PolarHBondContact O-N 3.41Å; S150-R154 WeakPolarHBondContact O-CG 3.07Å; S150-R154 PolarHBondContact O-N 2.86Å; S150-K655 PolarHBondContact OG-O 2.88Å
151V95.9Very high95.1Very high4 Ų448.8 Ų48.82%0.02426%0.261CS..Hα-helixtrans-61.6-49.9175.41780000110.1C147 K148 L153 R154 D155 F302 A694C147-V151 WeakPolarHBondContact O-CG2 3.4Å; C147-V151 PolarHBondContact O-N 3.41Å; K148-V151 PolarHBondContact O-N 3.02Å; V151-L153 VanDerWaalsContact C-N 3.27Å; V151-L153 PolarHBondContact O-N 3.03Å; V151-R154 WeakPolarHBondContact O-CB 3.38Å; V151-R154 PolarHBondContact O-N 3.05Å; V151-D155 PolarHBondContact O-N 3.26Å; V151-F302 HydrophobicContact CB-CB 4.23Å; V151-F302 HydrophobicContact CG1-CB 3.83Å; V151-F302 HydrophobicContact CG2-CB 3.69Å; V151-F302 HydrophobicContact CG2-CD1 4.39Å; V151-F302 HydrophobicContact CG2-CD2 4.16Å; V151-F302 HydrophobicContact CG2-CG 3.83Å; V151-A694 HydrophobicContact CG2-CB 4.34Å
152D94.9Very high95Very high72 Ų7248.7 Ų48.739%0.38526%0.261SS..Hα-helixtrans-61.1-38.3-178.9-67-17.4000111.3K148 E149 R154 D155 T156K148-D152 WeakPolarHBondContact CE-OD1 3.43Å; K148-D152 WeakPolarHBondContact CE-OD2 3.29Å; K148-D152 IonicContact NZ-OD1 3.69Å; K148-D152 PolarHBondContact NZ-OD1 3.47Å; K148-D152 IonicContact NZ-OD2 2.98Å; K148-D152 PolarHBondContact NZ-OD2 2.97Å; K148-D152 WeakPolarHBondContact O-CB 3.47Å; K148-D152 VanDerWaalsContact O-CG 3.25Å; K148-D152 PolarHBondContact O-N 3.49Å; E149-D152 PolarHBondContact O-N 3.41Å; D152-R154 VanDerWaalsContact C-N 3.34Å; D152-R154 PolarHBondContact O-N 2.86Å; D152-D155 PolarHBondContact O-N 2.78Å; D152-T156 PolarHBondContact O-N 2.72Å; D152-T156 VanDerWaalsContact O-N 3.14Å; D152-T156 PolarHBondContact O-OG1 2.58Å
153L94.6Very high95Very high98 Ų9845.7 Ų45.751%0.51325%0.245SC..Hα-helixtrans-61.1-40.8175.2-174.262.5000112.3E149 S150 V151 D155 T156 T659E149-L153 WeakPolarHBondContact O-CB 3.48Å; E149-L153 PolarHBondContact O-N 3.2Å; S150-L153 PolarHBondContact O-N 3.41Å; V151-L153 VanDerWaalsContact C-N 3.27Å; V151-L153 PolarHBondContact O-N 3.03Å; L153-D155 VanDerWaalsContact C-N 3.26Å; L153-D155 PolarHBondContact O-N 3.17Å; L153-T156 PolarHBondContact O-N 2.93Å; L153-T156 PolarHBondContact O-OG1 3.41Å; L153-T659 HydrophobicContact CD2-CG2 3.84Å
154R93.8Very high95Very high12 Ų1247.6 Ų47.65%0.04526%0.255CS..Hα-helixtrans-66.6-27.2177.6-68.2-179-62.4-164.57.7113.1S150 V151 D152 S161 R162 Y165 L658 A694S150-R154 WeakPolarHBondContact O-CG 3.07Å; S150-R154 PolarHBondContact O-N 2.86Å; V151-R154 WeakPolarHBondContact O-CB 3.38Å; V151-R154 PolarHBondContact O-N 3.05Å; D152-R154 VanDerWaalsContact C-N 3.34Å; D152-R154 PolarHBondContact O-N 2.86Å; R154-S161 CarbonylContact O-C 3.6Å; R154-S161 WeakPolarHBondContact O-CB 3.33Å; R154-S161 PolarHBondContact O-OG 3.27Å; R154-R162 PolarHBondContact O-N 3.38Å; R154-Y165 HydrophobicContact CG-CD2 4.38Å; R154-Y165 HydrophobicContact CG-CG 4.06Å; R154-Y165 PolarHBondContact NH1-OH 3.43Å; R154-L658 VanDerWaalsContact CD-O 3.29Å; R154-L658 WeakPolarHBondContact CD-O 3.42Å; R154-L658 PolarHBondContact NH1-O 3.17Å; R154-A694 VanDerWaalsContact CZ-O 3.28Å; R154-A694 PolarHBondContact NH1-O 3.07Å; R154-A694 PolarHBondContact NH2-O 2.98Å
155D90.8Very high94.9Very high64 Ų6447.7 Ų47.734%0.34226%0.255SS..Hα-helixtrans-92.3-10.8-177.5-69.2-29.9000113.6V151 D152 L153 N157 G158 R162V151-D155 PolarHBondContact O-N 3.26Å; D152-D155 PolarHBondContact O-N 2.78Å; L153-D155 VanDerWaalsContact C-N 3.26Å; L153-D155 PolarHBondContact O-N 3.17Å; D155-N157 VanDerWaalsContact C-N 3.34Å; D155-N157 PolarHBondContact O-N 2.83Å; D155-G158 PolarHBondContact O-N 2.74Å; D155-G158 VanDerWaalsContact O-N 3.08Å; D155-R162 IonicContact OD1-NE 3.48Å
156T92.1Very high94.9Very high95 Ų9544.4 Ų44.458%0.58324%0.238SC*.THydrogen-bonded Turntrans-54-42.2-173.6-55.40000113.9D152 L153D152-T156 PolarHBondContact O-N 2.72Å; D152-T156 VanDerWaalsContact O-N 3.14Å; D152-T156 PolarHBondContact O-OG1 2.58Å; L153-T156 PolarHBondContact O-N 2.93Å; L153-T156 PolarHBondContact O-OG1 3.41Å
157N91.3Very high94.9Very high111 Ų11146.3 Ų46.359%0.59425%0.245SC*.THydrogen-bonded Turntrans-110.728.7-179.4-66.6-21.1000112.3D155 I160 S161D155-N157 VanDerWaalsContact C-N 3.34Å; D155-N157 PolarHBondContact O-N 2.83Å; N157-I160 PolarHBondContact O-N 3.4Å; N157-S161 WeakPolarHBondContact CA-OG 3.25Å; N157-S161 PolarHBondContact N-OG 3.25Å
158G89.7Confident94.9Very high23 Ų2347 Ų4724%0.23725%0.25CS..THydrogen-bonded Turntrans59.3-129177.100000113D155 I160 S161 R162D155-G158 PolarHBondContact O-N 2.74Å; D155-G158 VanDerWaalsContact O-N 3.08Å; G158-I160 VanDerWaalsContact C-N 3.28Å; G158-I160 PolarHBondContact O-N 2.97Å; G158-S161 PolarHBondContact O-OG 3.16Å; G158-R162 PolarHBondContact O-N 3.49Å; G158-R162 PolarHBondContact O-NE 2.82Å; G158-R162 VanDerWaalsContact O-NE 3.16Å
159P92.2Very high94.9Very high47 Ų4744 Ų4431%0.30524%0.239SC..Hα-helixtrans-69.7-22.1-175.828.2-34.2000113.7A163 Y294P159-A163 WeakPolarHBondContact O-CB 3.38Å; P159-A163 PolarHBondContact O-N 3.33Å; P159-Y294 HydrophobicContact CB-CD1 4.11Å; P159-Y294 HydrophobicContact CB-CD2 4.13Å; P159-Y294 HydrophobicContact CB-CG 3.81Å; P159-Y294 HydrophobicContact CG-CD2 4.18Å; P159-Y294 HydrophobicContact CG-CG 4.36Å
160I93.6Very high95Very high85 Ų8540.6 Ų40.644%0.43622%0.224SC..Hα-helixtrans-69.2-52-178.7-60.9171.8000110.4N157 G158 R162 A163 L164 Y294N157-I160 PolarHBondContact O-N 3.4Å; G158-I160 VanDerWaalsContact C-N 3.28Å; G158-I160 PolarHBondContact O-N 2.97Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 3.3Å; I160-A163 WeakPolarHBondContact O-CB 3.37Å; I160-A163 PolarHBondContact O-N 2.9Å; I160-L164 HydrophobicContact CG2-CD1 4.36Å; I160-L164 WeakPolarHBondContact O-CG 3.35Å; I160-L164 PolarHBondContact O-N 2.94Å; I160-Y294 HydrophobicContact CG1-CE2 4.45Å
161S94.3Very high95Very high17 Ų1741.4 Ų41.412%0.11923%0.229CC..Hα-helixtrans-65.4-34.7178.244.80000112.1R154 N157 G158 L164 Y165R154-S161 CarbonylContact O-C 3.6Å; R154-S161 WeakPolarHBondContact O-CB 3.33Å; R154-S161 PolarHBondContact O-OG 3.27Å; N157-S161 WeakPolarHBondContact CA-OG 3.25Å; N157-S161 PolarHBondContact N-OG 3.25Å; G158-S161 PolarHBondContact O-OG 3.16Å; S161-L164 PolarHBondContact O-N 2.96Å; S161-Y165 PolarHBondContact O-N 2.93Å
162R95.3Very high95Very high41 Ų4143.4 Ų43.416%0.15524%0.238CC..Hα-helixtrans-63.7-41.7171.1-73.5-176.8-79.9150.7-11112.4R154 D155 G158 I160 L164 Y165 V166 L297 P298R154-R162 PolarHBondContact O-N 3.38Å; D155-R162 IonicContact OD1-NE 3.48Å; G158-R162 PolarHBondContact O-N 3.49Å; G158-R162 PolarHBondContact O-NE 2.82Å; G158-R162 VanDerWaalsContact O-NE 3.16Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 3.3Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 2.94Å; R162-Y165 WeakPolarHBondContact O-CB 3.44Å; R162-Y165 PolarHBondContact O-N 3.31Å; R162-V166 WeakPolarHBondContact O-CG2 3.22Å; R162-V166 PolarHBondContact O-N 2.95Å; R162-L297 HydrophobicContact CB-CD1 4.44Å; R162-P298 PolarHBondContact NH1-O 2.9Å
163A96.3Very high94.8Very high1 Ų142.1 Ų42.11%0.00823%0.234CC..Hα-helixtrans-62.1-40.1174.800000111.8P159 I160 Y165 V166 Y167 L262 L293 Y294 L297P159-A163 WeakPolarHBondContact O-CB 3.38Å; P159-A163 PolarHBondContact O-N 3.33Å; I160-A163 WeakPolarHBondContact O-CB 3.37Å; I160-A163 PolarHBondContact O-N 2.9Å; A163-Y165 VanDerWaalsContact C-N 3.34Å; A163-V166 PolarHBondContact O-N 2.93Å; A163-Y167 WeakPolarHBondContact O-CA 3.46Å; A163-Y167 PolarHBondContact O-N 3.28Å; A163-L262 HydrophobicContact CB-CD1 3.95Å; A163-L293 HydrophobicContact CB-CD2 4.47Å; A163-Y294 HydrophobicContact CB-CD1 4.26Å; A163-Y294 HydrophobicContact CB-CE1 3.84Å; A163-L297 HydrophobicContact CB-CD1 3.6Å
164L96.9Very high94.6Very high42 Ų4240.1 Ų40.122%0.2223%0.229CC..Hα-helixtrans-67.6-33.1176.9-69.8169.5000112.8I160 S161 R162 P168 P169 L262 E263I160-L164 HydrophobicContact CG2-CD1 4.36Å; I160-L164 WeakPolarHBondContact O-CG 3.35Å; I160-L164 PolarHBondContact O-N 2.94Å; S161-L164 PolarHBondContact O-N 2.96Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 2.94Å; L164-P168 WeakPolarHBondContact O-CA 3.4Å; L164-P168 WeakPolarHBondContact O-CB 3.42Å; L164-P169 HydrophobicContact CD2-CG 4.43Å; L164-L262 HydrophobicContact CD2-CB 3.77Å; L164-L262 HydrophobicContact CD2-CD1 4.22Å; L164-E263 WeakPolarHBondContact CD1-OE1 3.33Å; L164-E263 HydrophobicContact CD2-CG 3.7Å
165Y96.9Very high94.6Very high5 Ų543.1 Ų43.12%0.0225%0.248CC..Hα-helixtrans-64.7-52.3171.7166-118.3000111.6R154 S161 R162 A163 P168 L658 Q661 C695R154-Y165 HydrophobicContact CG-CD2 4.38Å; R154-Y165 HydrophobicContact CG-CG 4.06Å; R154-Y165 PolarHBondContact NH1-OH 3.43Å; S161-Y165 PolarHBondContact O-N 2.93Å; R162-Y165 WeakPolarHBondContact O-CB 3.44Å; R162-Y165 PolarHBondContact O-N 3.31Å; A163-Y165 VanDerWaalsContact C-N 3.34Å; Y165-P168 WeakPolarHBondContact O-CD 3.45Å; Y165-L658 WeakPolarHBondContact CD2-O 3.45Å; Y165-L658 WeakPolarHBondContact CE2-O 3.36Å; Y165-Q661 HydrophobicContact CD2-CB 4.24Å; Y165-Q661 HydrophobicContact CE1-CB 4.48Å; Y165-Q661 HydrophobicContact CE2-CB 3.87Å; Y165-Q661 WeakPolarHBondContact O-CB 3.26Å; Y165-Q661 PolarHBondContact O-N 3.24Å; Y165-C695 PolarHBondContact OH-O 3.3Å
166V97.2Very high94.7Very high24 Ų2447.4 Ų47.415%0.14527%0.266CS..Hα-helixtrans-71.7-42.5-174.5178.70000111.6R162 A163 P168 L297R162-V166 WeakPolarHBondContact O-CG2 3.22Å; R162-V166 PolarHBondContact O-N 2.95Å; A163-V166 PolarHBondContact O-N 2.93Å; V166-P168 VanDerWaalsContact O-CD 3.3Å; V166-P168 WeakPolarHBondContact O-CD 3.32Å; V166-L297 HydrophobicContact CB-CD2 4.06Å; V166-L297 HydrophobicContact CG1-CD2 4.23Å; V166-L297 HydrophobicContact CG2-CD2 3.95Å
167Y97.8Very high94.8Very high47 Ų4744.2 Ų44.218%0.18425%0.245CC..SBendtrans-12364.2-176.3-55.3-68.8000111.5A163 D258 Y260 L262 L293 L297A163-Y167 WeakPolarHBondContact O-CA 3.46Å; A163-Y167 PolarHBondContact O-N 3.28Å; Y167-D258 HydrophobicContact CE1-CB 4.06Å; Y167-Y260 AromaticContact CD1-CD2 3.65Å; Y167-Y260 HydrophobicContact CD1-CD2 3.65Å; Y167-Y260 AromaticContact CD1-CE2 3.58Å; Y167-Y260 HydrophobicContact CD1-CE2 3.58Å; Y167-Y260 HydrophobicContact CD2-CD2 4.17Å; Y167-Y260 HydrophobicContact CD2-CE2 4.12Å; Y167-Y260 HydrophobicContact CE1-CD2 4.28Å; Y167-Y260 AromaticContact CE1-CE2 3.72Å; Y167-Y260 HydrophobicContact CE1-CE2 3.72Å; Y167-Y260 HydrophobicContact CE2-CE2 4.24Å; Y167-Y260 AromaticContact CG-CD2 3.58Å; Y167-Y260 HydrophobicContact CG-CD2 3.58Å; Y167-Y260 AromaticContact CG-CE2 3.78Å; Y167-Y260 HydrophobicContact CG-CE2 3.78Å; Y167-L262 WeakPolarHBondContact O-CD1 3.4Å; Y167-L293 HydrophobicContact CD2-CD1 4.09Å; Y167-L293 HydrophobicContact CE2-CD1 3.69Å; Y167-L297 HydrophobicContact CD2-CD2 4.37Å; Y167-L297 HydrophobicContact CE2-CD2 3.9Å
168P98Very high94.9Very high16 Ų1639.7 Ų39.710%0.10422%0.222CC..  trans-65.2139.7-177.927.1-33.5000110.6L164 Y165 V166 N170 N660 R662L164-P168 WeakPolarHBondContact O-CA 3.4Å; L164-P168 WeakPolarHBondContact O-CB 3.42Å; Y165-P168 WeakPolarHBondContact O-CD 3.45Å; V166-P168 VanDerWaalsContact O-CD 3.3Å; V166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-N170 PolarHBondContact O-N 3.43Å; P168-N660 VanDerWaalsContact CG-OD1 3.29Å; P168-N660 WeakPolarHBondContact CG-OD1 3.38Å; P168-R662 HydrophobicContact CG-CB 3.88Å; P168-R662 PolarHBondContact O-NH1 2.86Å; P168-R662 VanDerWaalsContact O-NH1 3.15Å
169P98Very high95.1Very high19 Ų1947 Ų4712%0.12325%0.247CC..  trans-49.7129.5177.7-27.433.8000112.3L164 V171 E263 Y265 Y270 R662L164-P169 HydrophobicContact CD2-CG 4.43Å; P169-V171 HydrophobicContact CB-CG1 3.91Å; P169-V171 PolarHBondContact O-N 3.03Å; P169-E263 HydrophobicContact CG-CB 3.69Å; P169-E263 HydrophobicContact CG-CG 3.61Å; P169-Y265 HydrophobicContact CB-CD2 4.1Å; P169-Y265 HydrophobicContact CB-CE2 3.97Å; P169-Y265 HydrophobicContact CG-CD2 4.46Å; P169-Y265 HydrophobicContact CG-CE2 4.12Å; P169-Y270 HydrophobicContact CB-CE1 4.01Å; P169-R662 PolarHBondContact O-NH1 3.32Å; P169-R662 PolarHBondContact O-NH2 3.46Å
170N98.1Very high95.1Very high30 Ų3046.5 Ų46.516%0.1624%0.241CC..  trans-93.787174.9-16918000109.3P168 E259 Y270 K271 R662P168-N170 PolarHBondContact O-N 3.43Å; N170-E259 HydrophobicContact CB-CG 4.16Å; N170-E259 PolarHBondContact ND2-OE2 3.25Å; N170-Y270 WeakPolarHBondContact O-CA 3.29Å; N170-K271 PolarHBondContact O-N 3.36Å; N170-K271 WeakPolarHBondContact OD1-CD 3.35Å; N170-R662 VanDerWaalsContact CA-NH1 3.31Å
171V97.8Very high95.1Very high17 Ų1742.6 Ų42.610%0.10322%0.221CC..BIsolated β-bridgetrans-123.3149.8-169.5-64.90000111.7P169 Y265 Q269 Y270 K271P169-V171 HydrophobicContact CB-CG1 3.91Å; P169-V171 PolarHBondContact O-N 3.03Å; V171-Y265 HydrophobicContact CG1-CD2 3.75Å; V171-Y265 HydrophobicContact CG1-CE2 4.28Å; V171-Y265 HydrophobicContact CG1-CG 3.95Å; V171-Y265 HydrophobicContact CG2-CD2 4.45Å; V171-Y265 HydrophobicContact CG2-CE2 4.22Å; V171-Q269 CarbonylContact C-O 3.36Å; V171-Q269 WeakPolarHBondContact CA-O 3.2Å; V171-Q269 HydrophobicContact CB-CG 4.24Å; V171-Y270 HydrophobicContact CG1-CD1 3.69Å; V171-Y270 HydrophobicContact CG1-CD2 4.44Å; V171-Y270 HydrophobicContact CG1-CE1 3.79Å; V171-Y270 HydrophobicContact CG1-CG 4.04Å; V171-K271 WeakPolarHBondContact O-CE 3.39Å
172E95.2Very high95.2Very high46 Ų4645.7 Ų45.722%0.21523%0.232CC..  trans-69.9148.2170.9-60.2-64.3176.100111.2S174 Q269 K271 R274E172-S174 PolarHBondContact O-N 3.37Å; E172-Q269 HydrophobicContact CB-CG 4.33Å; E172-Q269 PolarHBondContact N-O 3.2Å; E172-Q269 WeakPolarHBondContact O-CG 3.42Å; E172-Q269 PolarHBondContact O-NE2 2.79Å; E172-K271 HydrophobicContact CG-CG 4.17Å; E172-R274 HydrophobicContact CG-CB 4.48Å; E172-R274 HydrophobicContact CG-CG 4.34Å
173S90.7Very high95.2Very high44 Ų4449.7 Ų49.731%0.30826%0.257SS..SBendtrans-54.8-32.3175.8-700000114.5D626 R627S173-D626 WeakPolarHBondContact CB-OD2 3.4Å; S173-D626 PolarHBondContact N-OD2 3.31Å; S173-D626 PolarHBondContact OG-OD2 3.19Å; S173-R627 WeakPolarHBondContact OG-CG 3.31Å; S173-R627 PolarHBondContact OG-NE 3.41Å
174S90.9Very high95.1Very high57 Ų5754.2 Ų54.240%0.39928%0.276SS..  trans-117.3139.3-177.2-176.30000111.9E172 E176E172-S174 PolarHBondContact O-N 3.37Å; S174-E176 VanDerWaalsContact C-N 3.32Å; S174-E176 PolarHBondContact OG-N 2.73Å
175V93.3Very high95Very high75 Ų7553.1 Ų53.146%0.45527%0.271SS..SBendtrans-69.6-33.7171.9178.90000110.9P266V175-P266 HydrophobicContact CG1-CB 4.41Å; V175-P266 HydrophobicContact CG1-CG 3.83Å
176E93.1Very high94.9Very high154 Ų15457.1 Ų57.172%0.7229%0.292SS*.PPolyproline II helixtrans-64.5139.8-173.2-65-172.416700112S174 R274S174-E176 VanDerWaalsContact C-N 3.32Å; S174-E176 PolarHBondContact OG-N 2.73Å; E176-R274 PolarHBondContact O-NH1 2.8Å; E176-R274 VanDerWaalsContact O-NH1 3.15Å; E176-R274 PolarHBondContact O-NH2 3.49Å
177L93.8Very high94.7Very high27 Ų2764.9 Ų64.914%0.14132%0.324CS..PPolyproline II helixtrans-94.7123.9172.7-77.9169.4000109.1I181 F182 L185 H213 R274L177-I181 HydrophobicContact CD2-CB 4.29Å; L177-I181 HydrophobicContact CD2-CG2 3.65Å; L177-F182 HydrophobicContact CB-CB 4.21Å; L177-F182 HydrophobicContact CD1-CD2 4.16Å; L177-L185 HydrophobicContact CD1-CD1 3.97Å; L177-H213 VanDerWaalsContact CD1-CE1 3.4Å; L177-H213 WeakPolarHBondContact CD1-CE1 3.25Å; L177-H213 VanDerWaalsContact CD1-ND1 3.34Å; L177-H213 WeakPolarHBondContact CD1-ND1 3.24Å; L177-R274 VanDerWaalsContact CD2-NE 3.26Å
178P94.3Very high94.5Very high16 Ų1663 Ų6310%0.10432%0.319CS..PPolyproline II helixtrans-51.4142.7165.1-27.834.8000111.5H180 I181 F182 Q825P178-H180 VanDerWaalsContact C-N 3.27Å; P178-H180 WeakPolarHBondContact CB-CE1 3.4Å; P178-H180 WeakPolarHBondContact CB-ND1 3.26Å; P178-H180 PolarHBondContact O-N 2.69Å; P178-H180 VanDerWaalsContact O-N 3.16Å; P178-I181 HydrophobicContact CB-CD1 4.32Å; P178-I181 HydrophobicContact CB-CG1 4.22Å; P178-I181 HydrophobicContact CG-CD1 4.04Å; P178-I181 HydrophobicContact CG-CG1 4.48Å; P178-I181 WeakPolarHBondContact O-CA 3.39Å; P178-I181 WeakPolarHBondContact O-CB 3.3Å; P178-I181 PolarHBondContact O-N 2.71Å; P178-F182 PolarHBondContact O-N 2.86Å; P178-Q825 WeakPolarHBondContact CB-O 3.3Å
179K93.1Very high94.5Very high177 Ų17765.2 Ų65.277%0.7733%0.328SS*.Hα-helixtrans-53.2-42.2-172.8-69.4-177.7179.7177.10113I181 F182 N183K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 2.74Å; K179-F182 PolarHBondContact O-N 2.65Å; K179-N183 WeakPolarHBondContact O-CB 3.38Å; K179-N183 PolarHBondContact O-N 2.85Å; K179-N183 PolarHBondContact O-ND2 2.85Å; K179-N183 PolarHBondContact O-OD1 2.87Å
180H92.8Very high94.5Very high36 Ų3664.9 Ų64.917%0.16733%0.325CS..Hα-helixtrans-69.5-25.1179.968.5-70.2000113.4P178 Q825P178-H180 VanDerWaalsContact C-N 3.27Å; P178-H180 WeakPolarHBondContact CB-CE1 3.4Å; P178-H180 WeakPolarHBondContact CB-ND1 3.26Å; P178-H180 PolarHBondContact O-N 2.69Å; P178-H180 VanDerWaalsContact O-N 3.16Å; H180-Q825 PolarHBondContact CE1-O 3.29Å; H180-Q825 VanDerWaalsContact CE1-O 3.23Å; H180-Q825 PolarHBondContact CE1-OE1 3.32Å; H180-Q825 PolarHBondContact NE2-OE1 2.88Å
181I94.7Very high94.4Very high4 Ų467.3 Ų67.32%0.02134%0.337CS..Hα-helixtrans-77.8-45.5172.4-56.2-174.5000109.6L177 P178 K179 N183 K184 I277 M278L177-I181 HydrophobicContact CD2-CB 4.29Å; L177-I181 HydrophobicContact CD2-CG2 3.65Å; P178-I181 HydrophobicContact CB-CD1 4.32Å; P178-I181 HydrophobicContact CB-CG1 4.22Å; P178-I181 HydrophobicContact CG-CD1 4.04Å; P178-I181 HydrophobicContact CG-CG1 4.48Å; P178-I181 WeakPolarHBondContact O-CA 3.39Å; P178-I181 WeakPolarHBondContact O-CB 3.3Å; P178-I181 PolarHBondContact O-N 2.71Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 2.74Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 2.76Å; I181-K184 WeakPolarHBondContact O-CB 3.48Å; I181-K184 PolarHBondContact O-N 2.78Å; I181-K184 VanDerWaalsContact O-N 3.09Å; I181-I277 HydrophobicContact CG2-CB 4.33Å; I181-I277 HydrophobicContact CG2-CG2 3.64Å; I181-M278 HydrophobicContact CD1-CG 3.84Å; I181-M278 HydrophobicContact CD1-SD 3.93Å; I181-M278 HydrophobicContact CG1-CG 4.22Å; I181-M278 HydrophobicContact CG2-CG 4.39Å
182F96.1Very high94.4Very high82 Ų8266.5 Ų66.536%0.3633%0.332SS..Hα-helixtrans-58.6-40.5176.9-175.8-92.5000112L177 P178 K179 K184 L185 H213L177-F182 HydrophobicContact CB-CB 4.21Å; L177-F182 HydrophobicContact CD1-CD2 4.16Å; P178-F182 PolarHBondContact O-N 2.86Å; K179-F182 PolarHBondContact O-N 2.65Å; F182-K184 PolarHBondContact O-N 3.15Å; F182-K184 VanDerWaalsContact O-N 3.12Å; F182-L185 HydrophobicContact CD2-CD1 4.39Å; F182-L185 VanDerWaalsContact O-CB 3.29Å; F182-L185 WeakPolarHBondContact O-CB 3.44Å; F182-L185 PolarHBondContact O-N 2.88Å; F182-H213 AromaticContact CD2-NE2 3.78Å; F182-H213 AromaticContact CE2-CD2 3.9Å; F182-H213 AromaticContact CE2-NE2 3.49Å; F182-H213 WeakPolarHBondContact CE2-NE2 3.47Å
183N95Very high94.6Very high125 Ų12564.7 Ų64.767%0.66832%0.324SS*.THydrogen-bonded Turntrans-65-13.5178.7-68.7-12.4000114.2K179 I181 L185K179-N183 WeakPolarHBondContact O-CB 3.38Å; K179-N183 PolarHBondContact O-N 2.85Å; K179-N183 PolarHBondContact O-ND2 2.85Å; K179-N183 PolarHBondContact O-OD1 2.87Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 2.76Å; N183-L185 VanDerWaalsContact C-N 3.27Å
184K94.1Very high95Very high96 Ų9662.6 Ų62.642%0.41731%0.31SS..THydrogen-bonded Turntrans-78.9-12.4172-66.4173.3-178.5-82.20112.5I181 F182 I277I181-K184 WeakPolarHBondContact O-CB 3.48Å; I181-K184 PolarHBondContact O-N 2.78Å; I181-K184 VanDerWaalsContact O-N 3.09Å; F182-K184 PolarHBondContact O-N 3.15Å; F182-K184 VanDerWaalsContact O-N 3.12Å; K184-I277 HydrophobicContact CB-CG2 4.19Å; K184-I277 WeakPolarHBondContact CD-O 3.27Å
185L95.3Very high95.3Very high19 Ų1961.6 Ų61.610%0.09930%0.297CS..SBendtrans-91.6145.5178.4-57.3171.8000110.5L177 F182 N183 K187 I190 H213 I277L177-L185 HydrophobicContact CD1-CD1 3.97Å; F182-L185 HydrophobicContact CD2-CD1 4.39Å; F182-L185 VanDerWaalsContact O-CB 3.29Å; F182-L185 WeakPolarHBondContact O-CB 3.44Å; F182-L185 PolarHBondContact O-N 2.88Å; N183-L185 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.49Å; L185-I190 HydrophobicContact CD2-CB 4.06Å; L185-I190 HydrophobicContact CD2-CG1 4.44Å; L185-H213 HydrophobicContact CD1-CB 3.68Å; L185-I277 HydrophobicContact CD2-CD1 4.11Å; L185-I277 HydrophobicContact CD2-CG1 4.01Å; L185-I277 HydrophobicContact CD2-CG2 3.89Å; L185-I277 HydrophobicContact CG-CG2 4.24Å
186D93.3Very high95.3Very high88 Ų8858.7 Ų58.747%0.47128%0.28SS..BIsolated β-bridgetrans-84103.3173.5175.830.2000109.6G188 Q189 K210D186-G188 PolarHBondContact O-N 3.05Å; D186-Q189 PolarHBondContact N-O 3.26Å; D186-Q189 WeakPolarHBondContact O-CB 3.5Å; D186-Q189 PolarHBondContact O-N 2.89Å; D186-K210 IonicContact OD2-NZ 2.78Å; D186-K210 PolarHBondContact OD2-NZ 3.08Å
187K93.2Very high95.1Very high188 Ų18853.1 Ų53.182%0.81726%0.255SS*.THydrogen-bonded Turntrans53.739-178-57.8176.8-176.4179.80113.2L185 Q189L185-K187 PolarHBondContact O-N 3.49Å; K187-Q189 PolarHBondContact O-N 3.44Å
188G94.9Very high94.7Very high8 Ų854.2 Ų54.28%0.08226%0.262CS..THydrogen-bonded Turntrans73.411-177.500000114.4D186 H213D186-G188 PolarHBondContact O-N 3.05Å; G188-H213 PolarHBondContact O-CD2 3.26Å; G188-H213 PolarHBondContact O-N 3.28Å
189Q97.2Very high94Very high61 Ų6158 Ų5829%0.28529%0.289SS..EExtended strand (participates in β ladder)trans-102.2144177.8-55.8-167.9-45.200111.7D186 K187 K210 I211 N212D186-Q189 PolarHBondContact N-O 3.26Å; D186-Q189 WeakPolarHBondContact O-CB 3.5Å; D186-Q189 PolarHBondContact O-N 2.89Å; K187-Q189 PolarHBondContact O-N 3.44Å; Q189-K210 HydrophobicContact CB-CG 4.05Å; Q189-I211 CarbonylContact C-O 3.6Å; Q189-I211 WeakPolarHBondContact CA-O 3.46Å; Q189-I211 WeakPolarHBondContact CB-O 3.4Å; Q189-N212 PolarHBondContact NE2-OD1 3.41Å; Q189-N212 VanDerWaalsContact NE2-OD1 3.16Å
190I97.1Very high93.4Very high12 Ų1255.8 Ų55.86%0.06229%0.293CS..EExtended strand (participates in β ladder)trans-117.2142.5174.9-172.3171000109.9L185 V192 I211 H213 V273 I277 P283L185-I190 HydrophobicContact CD2-CB 4.06Å; L185-I190 HydrophobicContact CD2-CG1 4.44Å; I190-V192 HydrophobicContact CD1-CG1 4.44Å; I190-V192 HydrophobicContact CG1-CG1 4.25Å; I190-V192 HydrophobicContact CG2-CG1 4.06Å; I190-I211 HydrophobicContact CG2-CG1 4.08Å; I190-I211 PolarHBondContact N-O 3.35Å; I190-I211 PolarHBondContact O-N 2.97Å; I190-H213 HydrophobicContact CG2-CB 4.42Å; I190-V273 HydrophobicContact CD1-CG1 3.85Å; I190-I277 HydrophobicContact CD1-CD1 3.99Å; I190-I277 HydrophobicContact CD1-CG1 3.58Å; I190-P283 HydrophobicContact CD1-CG 3.67Å; I190-P283 HydrophobicContact CG1-CG 4.4Å
191I97.9Very high92.9Very high81 Ų8157.1 Ų57.142%0.41531%0.306SS..EExtended strand (participates in β ladder)trans-92.9118.8171.3-58.7176.7000108.3T208 L209 K210 M282 P283I191-T208 HydrophobicContact CG2-CG2 3.4Å; I191-L209 CarbonylContact C-O 3.52Å; I191-L209 VanDerWaalsContact CA-O 3.3Å; I191-L209 WeakPolarHBondContact CA-O 3.47Å; I191-K210 HydrophobicContact CG1-CB 4.49Å; I191-K210 HydrophobicContact CG1-CG 4.26Å; I191-M282 HydrophobicContact CG2-CE 3.64Å; I191-P283 WeakPolarHBondContact O-CD 3.2Å
192V97.7Very high92.5Very high0 Ų061 Ų610%033%0.327CS..EExtended strand (participates in β ladder)trans-116.7149.8177.9-58.60000110.6I190 I194 T208 L209 I211 V220 L267 P283I190-V192 HydrophobicContact CD1-CG1 4.44Å; I190-V192 HydrophobicContact CG1-CG1 4.25Å; I190-V192 HydrophobicContact CG2-CG1 4.06Å; V192-I194 HydrophobicContact CG2-CD1 4.32Å; V192-T208 CarbonylContact O-C 3.58Å; V192-T208 WeakPolarHBondContact O-CA 3.19Å; V192-L209 HydrophobicContact CG2-CB 3.88Å; V192-L209 HydrophobicContact CG2-CD1 4.46Å; V192-L209 HydrophobicContact CG2-CG 4.48Å; V192-L209 PolarHBondContact N-O 3.39Å; V192-L209 PolarHBondContact O-N 3.43Å; V192-I211 HydrophobicContact CG1-CD1 4.25Å; V192-I211 HydrophobicContact CG2-CD1 3.73Å; V192-I211 HydrophobicContact CG2-CG1 4.08Å; V192-V220 HydrophobicContact CG2-CG1 4.32Å; V192-L267 HydrophobicContact CG1-CD2 3.94Å; V192-P283 HydrophobicContact CG1-CB 4.17Å; V192-P283 HydrophobicContact CG1-CG 4.07Å
193V98.3Very high92.2Very high8 Ų861.9 Ų61.95%0.04834%0.335CS..EExtended strand (participates in β ladder)trans-112.1118.8175.6-172.10000108.9W195 K206 M282 P283 L285V193-W195 HydrophobicContact CG1-CZ2 4.21Å; V193-K206 HydrophobicContact CG1-CB 4.12Å; V193-M282 HydrophobicContact CG2-CE 3.45Å; V193-M282 VanDerWaalsContact CG2-CE 3.45Å; V193-P283 PolarHBondContact N-O 3.03Å; V193-L285 PolarHBondContact O-N 3.46Å
194I98.2Very high92.1Very high0 Ų059.8 Ų59.80%032%0.32CS..EExtended strand (participates in β ladder)trans-99.7122.9175.9-52.9-55000109.4V192 K206 Y207 L209 V220 A224 L252 L285 L287V192-I194 HydrophobicContact CG2-CD1 4.32Å; I194-K206 CarbonylContact O-C 3.58Å; I194-Y207 PolarHBondContact N-O 2.75Å; I194-Y207 PolarHBondContact O-N 2.83Å; I194-L209 HydrophobicContact CG1-CD1 3.61Å; I194-L209 HydrophobicContact CG1-CG 4.21Å; I194-V220 HydrophobicContact CD1-CG1 3.77Å; I194-V220 HydrophobicContact CG1-CG1 4.28Å; I194-A224 HydrophobicContact CB-CB 4.33Å; I194-A224 HydrophobicContact CG1-CB 4.26Å; I194-A224 HydrophobicContact CG2-CB 4.04Å; I194-L252 HydrophobicContact CD1-CD2 4.12Å; I194-L285 CarbonylContact C-O 3.55Å; I194-L285 VanDerWaalsContact CA-O 3.3Å; I194-L285 WeakPolarHBondContact CA-O 3.29Å; I194-L285 HydrophobicContact CD1-CB 3.87Å; I194-L285 HydrophobicContact CD1-CD1 4.24Å; I194-L287 HydrophobicContact CG2-CB 3.99Å
195W97.3Very high92.1Very high36 Ų3659 Ų5914%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-100.8139.8178.6-65.790.4000110.7V193 K204 Q205 K206 N284 L285 M286 L287 M789 L792V193-W195 HydrophobicContact CG1-CZ2 4.21Å; W195-K204 HydrophobicContact CE3-CB 4.04Å; W195-K204 HydrophobicContact CZ3-CB 4.07Å; W195-Q205 CarbonylContact C-O 3.5Å; W195-Q205 WeakPolarHBondContact CA-O 3.48Å; W195-K206 HydrophobicContact CD2-CB 4.16Å; W195-K206 HydrophobicContact CE3-CB 3.87Å; W195-K206 HydrophobicContact CH2-CB 3.99Å; W195-K206 HydrophobicContact CH2-CD 4.19Å; W195-K206 HydrophobicContact CZ2-CB 4.22Å; W195-K206 HydrophobicContact CZ3-CB 3.79Å; W195-N284 PolarHBondContact NE1-OD1 3.34Å; W195-L285 PolarHBondContact N-O 2.77Å; W195-M286 CarbonylContact O-C 3.29Å; W195-M286 WeakPolarHBondContact O-CA 3.36Å; W195-L287 PolarHBondContact O-N 2.88Å; W195-M789 HydrophobicContact CB-CE 3.9Å; W195-M789 HydrophobicContact CG-CE 4.49Å; W195-L792 HydrophobicContact CD2-CD1 4.01Å; W195-L792 VanDerWaalsContact CE2-CD1 3.47Å; W195-L792 HydrophobicContact CG-CD1 4.23Å; W195-L792 HydrophobicContact CZ2-CD1 3.82Å; W195-L792 HydrophobicContact CZ2-CD2 3.99Å
196V93.4Very high92.1Very high15 Ų1564.9 Ų64.99%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-127.9128.5174.2-177.30000107.8Q205 Y207 L287V196-Q205 PolarHBondContact N-O 2.7Å; V196-Q205 PolarHBondContact O-N 2.99Å; V196-Y207 HydrophobicContact CB-CE2 4.31Å; V196-Y207 HydrophobicContact CG2-CD2 4.01Å; V196-Y207 HydrophobicContact CG2-CE2 3.72Å; V196-L287 HydrophobicContact CG2-CB 4.08Å; V196-L287 HydrophobicContact CG2-CD2 4.19Å
197I89.4Confident92.2Very high37 Ų3762.3 Ų62.319%0.1933%0.327CS..EExtended strand (participates in β ladder)trans-91123172.8-58179.9000107.8N202 M286 M788 M789I197-N202 HydrophobicContact CG2-CB 4.2Å; I197-M286 HydrophobicContact CD1-SD 3.51Å; I197-M286 VanDerWaalsContact CD1-SD 3.51Å; I197-M286 HydrophobicContact CG1-SD 3.98Å; I197-M788 HydrophobicContact CD1-CB 4.14Å; I197-M788 HydrophobicContact CD1-CE 3.77Å; I197-M788 HydrophobicContact CD1-SD 3.71Å; I197-M788 HydrophobicContact CG2-CE 4.13Å; I197-M789 HydrophobicContact CD1-CE 3.8Å; I197-M789 HydrophobicContact CG1-CE 3.48Å; I197-M789 VanDerWaalsContact CG1-CE 3.48Å
198V85.9Confident92.4Very high49 Ų4956 Ų5630%0.29730%0.304SS..EExtended strand (participates in β ladder)trans-93.2113.8178.3-175.20000109.1S201 N202 D203 Q205V198-S201 PolarHBondContact O-N 2.97Å; V198-S201 PolarHBondContact O-OG 2.79Å; V198-N202 WeakPolarHBondContact O-CA 3.35Å; V198-N202 PolarHBondContact O-N 3.19Å; V198-D203 PolarHBondContact N-O 3.11Å; V198-D203 PolarHBondContact O-N 2.99Å; V198-Q205 HydrophobicContact CG2-CG 3.94Å
199S79Confident92.5Very high97 Ų9755.9 Ų55.968%0.67830%0.302SS*.THydrogen-bonded Turntrans-79.7145.9173.5-550000111.1
200P80.4Confident92.5Very high129 Ų12957.9 Ų57.984%0.83831%0.309SS*.THydrogen-bonded Turncis-92.2-52.436.2-35.2000115N202P200-N202 PolarHBondContact O-N 3.36Å
201S82.3Confident92.5Very high65 Ų6557.7 Ų57.746%0.45531%0.308SS..THydrogen-bonded Turntrans-70.5-15.4-174.856.60000114.3V198 D203V198-S201 PolarHBondContact O-N 2.97Å; V198-S201 PolarHBondContact O-OG 2.79Å; S201-D203 VanDerWaalsContact CB-OD2 3.27Å; S201-D203 WeakPolarHBondContact CB-OD2 3.45Å; S201-D203 PolarHBondContact O-N 3.4Å; S201-D203 PolarHBondContact OG-OD2 2.97Å
202N85.8Confident92.5Very high86 Ų8657.3 Ų57.346%0.4631%0.307SS..THydrogen-bonded Turntrans59.224.3-170.6-65.3-31.6000113.3I197 V198 P200 K204 M788I197-N202 HydrophobicContact CG2-CB 4.2Å; V198-N202 WeakPolarHBondContact O-CA 3.35Å; V198-N202 PolarHBondContact O-N 3.19Å; P200-N202 PolarHBondContact O-N 3.36Å; N202-K204 PolarHBondContact O-N 3.43Å; N202-M788 HydrophobicContact CB-CE 4.04Å
203D90.7Very high92.4Very high99 Ų9958.6 Ų58.653%0.52931%0.313SS..EExtended strand (participates in β ladder)trans-64.9133.8175.5-69.7-38.7000110.6V198 S201V198-D203 PolarHBondContact N-O 3.11Å; V198-D203 PolarHBondContact O-N 2.99Å; S201-D203 VanDerWaalsContact CB-OD2 3.27Å; S201-D203 WeakPolarHBondContact CB-OD2 3.45Å; S201-D203 PolarHBondContact O-N 3.4Å; S201-D203 PolarHBondContact OG-OD2 2.97Å
204K93.6Very high92.4Very high81 Ų8162.3 Ų62.335%0.35233%0.333SS..EExtended strand (participates in β ladder)trans-95.1111.7-176.9-61.1174.7175.4175.60110.1W195 N202 M788 M789 E791W195-K204 HydrophobicContact CE3-CB 4.04Å; W195-K204 HydrophobicContact CZ3-CB 4.07Å; N202-K204 PolarHBondContact O-N 3.43Å; K204-M788 WeakPolarHBondContact CE-O 3.41Å; K204-M788 PolarHBondContact NZ-O 3.08Å; K204-M789 HydrophobicContact CB-CE 4.29Å; K204-M789 HydrophobicContact CD-CE 3.89Å; K204-M789 HydrophobicContact CD-SD 3.63Å; K204-M789 VanDerWaalsContact CE-SD 3.57Å; K204-M789 HydrophobicContact CG-CE 3.72Å; K204-M789 HydrophobicContact CG-SD 4.17Å; K204-E791 VanDerWaalsContact NZ-CD 3.25Å; K204-E791 IonicContact NZ-OE1 2.88Å; K204-E791 PolarHBondContact NZ-OE1 3.22Å; K204-E791 IonicContact NZ-OE2 3.88Å; K204-E791 PolarHBondContact NZ-OE2 3.03Å
205Q93.2Very high92.3Very high81 Ų8163.2 Ų63.238%0.37934%0.338SS..EExtended strand (participates in β ladder)trans-99137.6173.1-66-174.8-5.100110.7W195 V196 V198 Y207W195-Q205 CarbonylContact C-O 3.5Å; W195-Q205 WeakPolarHBondContact CA-O 3.48Å; V196-Q205 PolarHBondContact N-O 2.7Å; V196-Q205 PolarHBondContact O-N 2.99Å; V198-Q205 HydrophobicContact CG2-CG 3.94Å; Q205-Y207 HydrophobicContact CB-CE2 4.25Å; Q205-Y207 PolarHBondContact OE1-OH 3.36Å; Q205-Y207 VanDerWaalsContact OE1-OH 3.07Å
206K95Very high92.3Very high142 Ų14263.7 Ų63.762%0.61735%0.346SS*.EExtended strand (participates in β ladder)trans-113.7138.4-179.474.6-178-176.7-177.10112.6V193 I194 W195V193-K206 HydrophobicContact CG1-CB 4.12Å; I194-K206 CarbonylContact O-C 3.58Å; W195-K206 HydrophobicContact CD2-CB 4.16Å; W195-K206 HydrophobicContact CE3-CB 3.87Å; W195-K206 HydrophobicContact CH2-CB 3.99Å; W195-K206 HydrophobicContact CH2-CD 4.19Å; W195-K206 HydrophobicContact CZ2-CB 4.22Å; W195-K206 HydrophobicContact CZ3-CB 3.79Å
207Y95.6Very high92.5Very high34 Ų3463.3 Ų63.313%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-129.2107175.1-58.8-79.8000110I194 V196 Q205 K227 K228I194-Y207 PolarHBondContact N-O 2.75Å; I194-Y207 PolarHBondContact O-N 2.83Å; V196-Y207 HydrophobicContact CB-CE2 4.31Å; V196-Y207 HydrophobicContact CG2-CD2 4.01Å; V196-Y207 HydrophobicContact CG2-CE2 3.72Å; Q205-Y207 HydrophobicContact CB-CE2 4.25Å; Q205-Y207 PolarHBondContact OE1-OH 3.36Å; Q205-Y207 VanDerWaalsContact OE1-OH 3.07Å; Y207-K227 HydrophobicContact CD1-CG 4.24Å; Y207-K228 HydrophobicContact CE1-CB 3.97Å; Y207-K228 HydrophobicContact CE1-CG 4.42Å; Y207-K228 WeakPolarHBondContact OH-CG 3.23Å
208T97.2Very high92.9Very high54 Ų5465.1 Ų65.133%0.33135%0.351SS..EExtended strand (participates in β ladder)trans-83.2123.9176.9-51.60000110.6I191 V192 K227 M282I191-T208 HydrophobicContact CG2-CG2 3.4Å; V192-T208 CarbonylContact O-C 3.58Å; V192-T208 WeakPolarHBondContact O-CA 3.19Å; T208-K227 PolarHBondContact O-NZ 2.92Å; T208-M282 HydrophobicContact CG2-CE 4.25Å
209L96.9Very high93.3Very high7 Ų766.5 Ų66.54%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-118.3142.3-178.4-48.2177.9000109.5I191 V192 I194 I211 V220 E223 A224 K227I191-L209 CarbonylContact C-O 3.52Å; I191-L209 VanDerWaalsContact CA-O 3.3Å; I191-L209 WeakPolarHBondContact CA-O 3.47Å; V192-L209 HydrophobicContact CG2-CB 3.88Å; V192-L209 HydrophobicContact CG2-CD1 4.46Å; V192-L209 HydrophobicContact CG2-CG 4.48Å; V192-L209 PolarHBondContact N-O 3.39Å; V192-L209 PolarHBondContact O-N 3.43Å; I194-L209 HydrophobicContact CG1-CD1 3.61Å; I194-L209 HydrophobicContact CG1-CG 4.21Å; L209-I211 HydrophobicContact CB-CG2 4.18Å; L209-V220 HydrophobicContact CD1-CG1 4.22Å; L209-E223 HydrophobicContact CD1-CB 4.24Å; L209-E223 HydrophobicContact CD1-CG 4.4Å; L209-E223 HydrophobicContact CD2-CG 4.25Å; L209-A224 HydrophobicContact CD1-CB 4Å; L209-K227 HydrophobicContact CD2-CB 4.05Å; L209-K227 HydrophobicContact CD2-CD 3.59Å; L209-K227 HydrophobicContact CD2-CG 4.45Å
210K97.1Very high94.2Very high103 Ų10361.9 Ų61.945%0.44832%0.322SS..EExtended strand (participates in β ladder)trans-109.8113.2167.9-170.6-179.3-170.7-172.40107.1D186 Q189 I191D186-K210 IonicContact OD2-NZ 2.78Å; D186-K210 PolarHBondContact OD2-NZ 3.08Å; Q189-K210 HydrophobicContact CB-CG 4.05Å; I191-K210 HydrophobicContact CG1-CB 4.49Å; I191-K210 HydrophobicContact CG1-CG 4.26Å
211I97.1Very high95Very high7 Ų756 Ų564%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-135.6161.6-171.353.5168.6000109.5Q189 I190 V192 L209 V220 E223 L267Q189-I211 CarbonylContact C-O 3.6Å; Q189-I211 WeakPolarHBondContact CA-O 3.46Å; Q189-I211 WeakPolarHBondContact CB-O 3.4Å; I190-I211 HydrophobicContact CG2-CG1 4.08Å; I190-I211 PolarHBondContact N-O 3.35Å; I190-I211 PolarHBondContact O-N 2.97Å; V192-I211 HydrophobicContact CG1-CD1 4.25Å; V192-I211 HydrophobicContact CG2-CD1 3.73Å; V192-I211 HydrophobicContact CG2-CG1 4.08Å; L209-I211 HydrophobicContact CB-CG2 4.18Å; I211-V220 HydrophobicContact CD1-CB 4.27Å; I211-V220 HydrophobicContact CD1-CG1 4.02Å; I211-V220 HydrophobicContact CD1-CG2 3.49Å; I211-V220 VanDerWaalsContact CD1-CG2 3.49Å; I211-E223 HydrophobicContact CG2-CG 4.37Å; I211-L267 HydrophobicContact CD1-CD2 3.67Å
212N97.9Very high95.6Very high73 Ų7353 Ų5339%0.3926%0.262SS..EExtended strand (participates in β ladder)trans-68.8146.4173.5-58.4-14.4000109.9Q189 D214 C215Q189-N212 PolarHBondContact NE2-OD1 3.41Å; Q189-N212 VanDerWaalsContact NE2-OD1 3.16Å; N212-D214 WeakPolarHBondContact CB-OD1 3.5Å; N212-D214 PolarHBondContact O-N 3.18Å; N212-C215 PolarHBondContact O-N 2.96Å
213H97.1Very high96Very high28 Ų2850.9 Ų50.913%0.1325%0.249CC..THydrogen-bonded Turntrans-65.1-24.2-177.376.373.7000112.8L177 F182 L185 G188 I190 L267 S268L177-H213 VanDerWaalsContact CD1-CE1 3.4Å; L177-H213 WeakPolarHBondContact CD1-CE1 3.25Å; L177-H213 VanDerWaalsContact CD1-ND1 3.34Å; L177-H213 WeakPolarHBondContact CD1-ND1 3.24Å; F182-H213 AromaticContact CD2-NE2 3.78Å; F182-H213 AromaticContact CE2-CD2 3.9Å; F182-H213 AromaticContact CE2-NE2 3.49Å; F182-H213 WeakPolarHBondContact CE2-NE2 3.47Å; L185-H213 HydrophobicContact CD1-CB 3.68Å; G188-H213 PolarHBondContact O-CD2 3.26Å; G188-H213 PolarHBondContact O-N 3.28Å; I190-H213 HydrophobicContact CG2-CB 4.42Å; H213-L267 PolarHBondContact O-N 2.83Å; H213-S268 PolarHBondContact ND1-OG 3.42Å; H213-S268 WeakPolarHBondContact O-CB 2.97Å; H213-S268 PolarHBondContact O-N 2.88Å; H213-S268 PolarHBondContact O-OG 3.39Å
214D96.9Very high96.2Very high86 Ų8646.3 Ų46.346%0.4623%0.225SC..THydrogen-bonded Turntrans-93.3-1.2-175.564.1-21.1000113.8N212 P266N212-D214 WeakPolarHBondContact CB-OD1 3.5Å; N212-D214 PolarHBondContact O-N 3.18Å; D214-P266 HydrophobicContact CB-CB 4.43Å
215C96.9Very high96.1Very high18 Ų1843.1 Ų43.112%0.12221%0.212CC..  trans-60.6144.6174.3-70.90000111.7N212 H219 L267N212-C215 PolarHBondContact O-N 2.96Å; C215-H219 HydrophobicContact CB-CB 4.28Å; C215-H219 PolarHBondContact SG-CD2 2.55Å; C215-L267 VanDerWaalsContact O-CB 3.31Å; C215-L267 WeakPolarHBondContact O-CB 3.39Å; C215-L267 PolarHBondContact O-N 2.96Å
216V97.8Very high96Very high47 Ų4743 Ų4329%0.28521%0.208SC..  trans-81.9157.7174.5-62.80000111.9E218 H219 V220 K264V216-E218 VanDerWaalsContact C-N 3.27Å; V216-E218 HydrophobicContact CG2-CB 4.42Å; V216-E218 PolarHBondContact O-N 3.21Å; V216-E218 VanDerWaalsContact O-N 3.16Å; V216-H219 HydrophobicContact CG2-CB 4.3Å; V216-H219 WeakPolarHBondContact O-CB 3.37Å; V216-H219 PolarHBondContact O-N 3.17Å; V216-V220 PolarHBondContact O-N 3.34Å; V216-K264 HydrophobicContact CG1-CB 4.46Å
217P97.7Very high95.8Very high7 Ų740.1 Ų40.15%0.04520%0.196CC..Hα-helixtrans-51.3-40.9-178.3-31.136.6000114.4H219 V220 I221 L252 L261 Y265 Y270P217-H219 VanDerWaalsContact C-N 3.26Å; P217-H219 PolarHBondContact O-N 3.5Å; P217-V220 WeakPolarHBondContact O-CB 3.42Å; P217-V220 PolarHBondContact O-N 3.07Å; P217-V220 VanDerWaalsContact O-N 3.12Å; P217-I221 WeakPolarHBondContact O-CG1 3.24Å; P217-I221 PolarHBondContact O-N 2.88Å; P217-L252 HydrophobicContact CB-CD1 4.14Å; P217-L261 HydrophobicContact CB-CB 4.16Å; P217-L261 HydrophobicContact CG-CB 3.81Å; P217-L261 HydrophobicContact CG-CD2 4.26Å; P217-Y265 VanDerWaalsContact CD-O 3.31Å; P217-Y265 WeakPolarHBondContact CD-O 3.34Å; P217-Y270 HydrophobicContact CG-CE2 4Å
218E95.9Very high95.4Very high74 Ų7442.1 Ų42.135%0.34621%0.205SC..Hα-helixtrans-58.5-35.9177.3-68.5179.917600112.6V216 A222 Q247 K264V216-E218 VanDerWaalsContact C-N 3.27Å; V216-E218 HydrophobicContact CG2-CB 4.42Å; V216-E218 PolarHBondContact O-N 3.21Å; V216-E218 VanDerWaalsContact O-N 3.16Å; E218-A222 PolarHBondContact O-N 3Å; E218-Q247 HydrophobicContact CB-CG 4.44Å; E218-Q247 PolarHBondContact O-NE2 2.99Å; E218-K264 VanDerWaalsContact OE1-CE 3.22Å; E218-K264 WeakPolarHBondContact OE1-CE 3.42Å; E218-K264 IonicContact OE1-NZ 3.07Å; E218-K264 IonicContact OE2-NZ 2.85Å
219H95.8Very high94.8Very high79 Ų7940 Ų4037%0.36619%0.192SC..Hα-helixtrans-70.3-39.9177.4-176.685.3000111.4C215 V216 P217 I221 A222 E223C215-H219 HydrophobicContact CB-CB 4.28Å; C215-H219 PolarHBondContact SG-CD2 2.55Å; V216-H219 HydrophobicContact CG2-CB 4.3Å; V216-H219 WeakPolarHBondContact O-CB 3.37Å; V216-H219 PolarHBondContact O-N 3.17Å; P217-H219 VanDerWaalsContact C-N 3.26Å; P217-H219 PolarHBondContact O-N 3.5Å; H219-I221 VanDerWaalsContact C-N 3.32Å; H219-I221 PolarHBondContact O-N 3.22Å; H219-A222 WeakPolarHBondContact O-CB 3.47Å; H219-A222 PolarHBondContact O-N 2.91Å; H219-E223 PolarHBondContact O-N 3.04Å
220V97Very high94.1Very high0 Ų048.1 Ų48.10%022%0.222CC..Hα-helixtrans-61.6-43.2175.6-174.20000110.8V192 I194 L209 I211 V216 P217 E223 A224 L252 L267V192-V220 HydrophobicContact CG2-CG1 4.32Å; I194-V220 HydrophobicContact CD1-CG1 3.77Å; I194-V220 HydrophobicContact CG1-CG1 4.28Å; L209-V220 HydrophobicContact CD1-CG1 4.22Å; I211-V220 HydrophobicContact CD1-CB 4.27Å; I211-V220 HydrophobicContact CD1-CG1 4.02Å; I211-V220 HydrophobicContact CD1-CG2 3.49Å; I211-V220 VanDerWaalsContact CD1-CG2 3.49Å; V216-V220 PolarHBondContact O-N 3.34Å; P217-V220 WeakPolarHBondContact O-CB 3.42Å; P217-V220 PolarHBondContact O-N 3.07Å; P217-V220 VanDerWaalsContact O-N 3.12Å; V220-E223 PolarHBondContact O-N 3.44Å; V220-A224 PolarHBondContact O-N 2.96Å; V220-L252 HydrophobicContact CB-CD1 3.95Å; V220-L252 HydrophobicContact CG1-CD1 3.99Å; V220-L267 HydrophobicContact CG2-CD2 4.11Å
221I97Very high93.1Very high5 Ų548.1 Ų48.13%0.02624%0.235CC..Hα-helixtrans-60-47.8175-67.5165.9000110.3P217 H219 E223 A224 I225 L252 L287P217-I221 WeakPolarHBondContact O-CG1 3.24Å; P217-I221 PolarHBondContact O-N 2.88Å; H219-I221 VanDerWaalsContact C-N 3.32Å; H219-I221 PolarHBondContact O-N 3.22Å; I221-E223 VanDerWaalsContact C-N 3.29Å; I221-E223 PolarHBondContact O-N 2.81Å; I221-A224 WeakPolarHBondContact O-CB 3.46Å; I221-A224 PolarHBondContact O-N 2.98Å; I221-I225 HydrophobicContact CG2-CD1 3.78Å; I221-I225 HydrophobicContact CG2-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.48Å; I221-I225 PolarHBondContact O-N 2.83Å; I221-L252 HydrophobicContact CD1-CG 4.2Å; I221-L252 HydrophobicContact CG1-CD1 4.24Å; I221-L252 HydrophobicContact CG1-CD2 4.04Å; I221-L252 HydrophobicContact CG1-CG 3.88Å; I221-L287 HydrophobicContact CB-CD1 4.33Å; I221-L287 HydrophobicContact CG1-CD1 3.78Å; I221-L287 HydrophobicContact CG2-CD1 4.02Å
222A95.3Very high92.3Very high1 Ų152.8 Ų52.81%0.00826%0.258CS..Hα-helixtrans-57.7-42.7178.500000111.9E218 H219 I225 R226 V243 Q247E218-A222 PolarHBondContact O-N 3Å; H219-A222 WeakPolarHBondContact O-CB 3.47Å; H219-A222 PolarHBondContact O-N 2.91Å; A222-I225 PolarHBondContact O-N 3.11Å; A222-R226 WeakPolarHBondContact O-CG 3.49Å; A222-R226 PolarHBondContact O-N 3.42Å; A222-V243 HydrophobicContact CB-CG1 3.66Å; A222-Q247 HydrophobicContact CB-CG 4.3Å
223E95.1Very high91.6Very high42 Ų4257.5 Ų57.520%0.19628%0.282CS..Hα-helixtrans-71-34.2179.2-167.855-153.500112.9L209 I211 H219 V220 I221 R226 K227 R230L209-E223 HydrophobicContact CD1-CB 4.24Å; L209-E223 HydrophobicContact CD1-CG 4.4Å; L209-E223 HydrophobicContact CD2-CG 4.25Å; I211-E223 HydrophobicContact CG2-CG 4.37Å; H219-E223 PolarHBondContact O-N 3.04Å; V220-E223 PolarHBondContact O-N 3.44Å; I221-E223 VanDerWaalsContact C-N 3.29Å; I221-E223 PolarHBondContact O-N 2.81Å; E223-R226 PolarHBondContact O-N 3.13Å; E223-R226 WeakPolarHBondContact OE2-CD 3.28Å; E223-R226 IonicContact OE2-CZ 2.83Å; E223-R226 IonicContact OE2-NH1 3.54Å; E223-R226 PolarHBondContact OE2-NH1 2.84Å; E223-K227 WeakPolarHBondContact O-CB 3.31Å; E223-K227 PolarHBondContact O-N 2.85Å; E223-R230 IonicContact OE1-NH2 2.83Å
224A94.3Very high91Very high3 Ų359.2 Ų59.23%0.02529%0.292CS..Hα-helixtrans-60.5-45.4170.200000111.5I194 L209 V220 I221 K227 K228I194-A224 HydrophobicContact CB-CB 4.33Å; I194-A224 HydrophobicContact CG1-CB 4.26Å; I194-A224 HydrophobicContact CG2-CB 4.04Å; L209-A224 HydrophobicContact CD1-CB 4Å; V220-A224 PolarHBondContact O-N 2.96Å; I221-A224 WeakPolarHBondContact O-CB 3.46Å; I221-A224 PolarHBondContact O-N 2.98Å; A224-K227 PolarHBondContact O-N 2.98Å; A224-K228 WeakPolarHBondContact O-CB 3.46Å; A224-K228 PolarHBondContact O-N 3.31Å
225I91.6Very high90.6Very high14 Ų1457.8 Ų57.87%0.07229%0.289CS..Hα-helixtrans-63.3-45.2177.5-65.8162.9000110.6I221 A222 K227 K228 T229 V243I221-I225 HydrophobicContact CG2-CD1 3.78Å; I221-I225 HydrophobicContact CG2-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.48Å; I221-I225 PolarHBondContact O-N 2.83Å; A222-I225 PolarHBondContact O-N 3.11Å; I225-K227 VanDerWaalsContact C-N 3.31Å; I225-K227 PolarHBondContact O-N 3.4Å; I225-K228 PolarHBondContact O-N 3.31Å; I225-T229 HydrophobicContact CG2-CG2 4.26Å; I225-T229 WeakPolarHBondContact O-CB 3.44Å; I225-T229 WeakPolarHBondContact O-CG2 3.36Å; I225-T229 PolarHBondContact O-N 2.91Å; I225-T229 PolarHBondContact O-OG1 3.3Å; I225-V243 HydrophobicContact CG2-CG2 4.04Å
226R91.4Very high90Very high80 Ų8064.5 Ų64.530%0.30232%0.318SS..Hα-helixtrans-57.4-45.7175-72.2-173.7-160.199.27.8111.1A222 E223 K228 T229 R230 V243A222-R226 WeakPolarHBondContact O-CG 3.49Å; A222-R226 PolarHBondContact O-N 3.42Å; E223-R226 PolarHBondContact O-N 3.13Å; E223-R226 WeakPolarHBondContact OE2-CD 3.28Å; E223-R226 IonicContact OE2-CZ 2.83Å; E223-R226 IonicContact OE2-NH1 3.54Å; E223-R226 PolarHBondContact OE2-NH1 2.84Å; R226-K228 PolarHBondContact O-N 2.77Å; R226-T229 PolarHBondContact O-N 3.03Å; R226-T229 PolarHBondContact O-OG1 3.45Å; R226-R230 WeakPolarHBondContact O-CG 3.34Å; R226-R230 PolarHBondContact O-N 2.76Å; R226-V243 HydrophobicContact CG-CG2 3.68Å
227K90.9Very high89.5Confident81 Ų8169.1 Ų69.135%0.35234%0.337SS..Hα-helixtrans-65.3-39.1179.8-168.1163.5-176.41600112.4Y207 T208 L209 E223 A224 I225Y207-K227 HydrophobicContact CD1-CG 4.24Å; T208-K227 PolarHBondContact O-NZ 2.92Å; L209-K227 HydrophobicContact CD2-CB 4.05Å; L209-K227 HydrophobicContact CD2-CD 3.59Å; L209-K227 HydrophobicContact CD2-CG 4.45Å; E223-K227 WeakPolarHBondContact O-CB 3.31Å; E223-K227 PolarHBondContact O-N 2.85Å; A224-K227 PolarHBondContact O-N 2.98Å; I225-K227 VanDerWaalsContact C-N 3.31Å; I225-K227 PolarHBondContact O-N 3.4Å
228K86.1Confident89Confident75 Ų7573.3 Ų73.333%0.32636%0.355SS..Hα-helixtrans-64.8-38176.4177.5169.8-177.2179.70113Y207 A224 I225 R226Y207-K228 HydrophobicContact CE1-CB 3.97Å; Y207-K228 HydrophobicContact CE1-CG 4.42Å; Y207-K228 WeakPolarHBondContact OH-CG 3.23Å; A224-K228 WeakPolarHBondContact O-CB 3.46Å; A224-K228 PolarHBondContact O-N 3.31Å; I225-K228 PolarHBondContact O-N 3.31Å; R226-K228 PolarHBondContact O-N 2.77Å
229T84.8Confident88.6Confident10 Ų1071.9 Ų71.96%0.06135%0.35CS..Hα-helixtrans-87.7-5.6-173.850.40000114.1I225 R226 S231 M232 L234 L239I225-T229 HydrophobicContact CG2-CG2 4.26Å; I225-T229 WeakPolarHBondContact O-CB 3.44Å; I225-T229 WeakPolarHBondContact O-CG2 3.36Å; I225-T229 PolarHBondContact O-N 2.91Å; I225-T229 PolarHBondContact O-OG1 3.3Å; R226-T229 PolarHBondContact O-N 3.03Å; R226-T229 PolarHBondContact O-OG1 3.45Å; T229-S231 PolarHBondContact O-N 3.47Å; T229-S231 VanDerWaalsContact O-N 3.13Å; T229-M232 HydrophobicContact CG2-SD 3.89Å; T229-M232 WeakPolarHBondContact O-CB 3.31Å; T229-M232 PolarHBondContact O-N 2.86Å; T229-L234 HydrophobicContact CG2-CD1 4.32Å; T229-L239 WeakPolarHBondContact OG1-CD1 3.39Å
230R82.2Confident88.2Confident178 Ų17874.1 Ų74.167%0.67236%0.359SS*.THydrogen-bonded Turntrans-55.5-30.4178.7-83.9176-168.1-167.44.8114.2E223 R226 M232E223-R230 IonicContact OE1-NH2 2.83Å; R226-R230 WeakPolarHBondContact O-CG 3.34Å; R226-R230 PolarHBondContact O-N 2.76Å; R230-M232 VanDerWaalsContact C-N 3.34Å
231S75.6Confident87.7Confident102 Ų10279.4 Ų79.471%0.71339%0.385SS*.THydrogen-bonded Turntrans-83.6-6.417853.70000114.1T229 L233T229-S231 PolarHBondContact O-N 3.47Å; T229-S231 VanDerWaalsContact O-N 3.13Å; S231-L233 PolarHBondContact O-N 3.25Å
232M80.4Confident87.3Confident106 Ų10680.3 Ų80.352%0.52239%0.391SS..THydrogen-bonded Turntrans-90.29.1-171-62.6-177.8170.400114.3T229 R230 L234T229-M232 HydrophobicContact CG2-SD 3.89Å; T229-M232 WeakPolarHBondContact O-CB 3.31Å; T229-M232 PolarHBondContact O-N 2.86Å; R230-M232 VanDerWaalsContact C-N 3.34Å; M232-L234 HydrophobicContact CB-CD1 4.33Å; M232-L234 HydrophobicContact CB-CG 3.98Å; M232-L234 PolarHBondContact O-N 3.13Å
233L82.8Confident87.1Confident171 Ų17180.6 Ų80.690%0.89539%0.393SS*.THydrogen-bonded Turntrans50.331.6178.4-62.9170.1000114.3S231S231-L233 PolarHBondContact O-N 3.25Å
234L86.4Confident86.7Confident65 Ų6584.7 Ų84.734%0.3441%0.412SS..  trans-72.9142178.6-60.8176.7000110.9T229 M232 Q238 L239 C242T229-L234 HydrophobicContact CG2-CD1 4.32Å; M232-L234 HydrophobicContact CB-CD1 4.33Å; M232-L234 HydrophobicContact CB-CG 3.98Å; M232-L234 PolarHBondContact O-N 3.13Å; L234-Q238 HydrophobicContact CB-CB 4.08Å; L234-Q238 HydrophobicContact CD2-CB 4.31Å; L234-L239 HydrophobicContact CB-CB 4.45Å; L234-C242 HydrophobicContact CD1-CB 4.48Å
235S87.7Confident86.5Confident56 Ų5689.3 Ų89.339%0.39243%0.433SS..  trans-64162.9167.983.10000111E237 Q238 L239S235-E237 PolarHBondContact O-N 2.67Å; S235-Q238 PolarHBondContact O-N 3.4Å; S235-Q238 WeakPolarHBondContact OG-CG 3.39Å; S235-Q238 PolarHBondContact OG-N 3.26Å; S235-Q238 VanDerWaalsContact OG-N 3.14Å; S235-L239 WeakPolarHBondContact O-CB 3.46Å; S235-L239 PolarHBondContact O-N 3.28Å
236H84.7Confident86.3Confident159 Ų15992.7 Ų92.774%0.73645%0.446SS*.Hα-helixtrans-57.2-38.7177.9-173.176.3000112.4K240H236-K240 WeakPolarHBondContact O-CB 3.33Å; H236-K240 PolarHBondContact O-N 2.88Å
237E86.5Confident86.2Confident144 Ų14491.4 Ų91.467%0.67344%0.443SS*.Hα-helixtrans-72.5-42.3178.8-166.8164.1-158.300111.9S235 L239 K240 M241S235-E237 PolarHBondContact O-N 2.67Å; E237-L239 VanDerWaalsContact C-N 3.33Å; E237-L239 PolarHBondContact O-N 3.08Å; E237-K240 PolarHBondContact O-N 3.45Å; E237-M241 WeakPolarHBondContact O-CG 3.41Å; E237-M241 PolarHBondContact O-N 3.25Å
238Q87.2Confident86.1Confident94 Ų9489.6 Ų89.644%0.43945%0.448SS..Hα-helixtrans-61.6-40.5173.5-73.1172.9-29.800112.2L234 S235 M241 C242L234-Q238 HydrophobicContact CB-CB 4.08Å; L234-Q238 HydrophobicContact CD2-CB 4.31Å; S235-Q238 PolarHBondContact O-N 3.4Å; S235-Q238 WeakPolarHBondContact OG-CG 3.39Å; S235-Q238 PolarHBondContact OG-N 3.26Å; S235-Q238 VanDerWaalsContact OG-N 3.14Å; Q238-M241 PolarHBondContact O-N 3.4Å; Q238-C242 VanDerWaalsContact O-CB 3.27Å; Q238-C242 WeakPolarHBondContact O-CB 3.29Å; Q238-C242 PolarHBondContact O-N 3.24Å
239L87.1Confident86.5Confident44 Ų4490.7 Ų90.723%0.2345%0.452CS..Hα-helixtrans-63.7-43.2175.6178.461.3000111.4T229 L234 S235 E237 C242 V243T229-L239 WeakPolarHBondContact OG1-CD1 3.39Å; L234-L239 HydrophobicContact CB-CB 4.45Å; S235-L239 WeakPolarHBondContact O-CB 3.46Å; S235-L239 PolarHBondContact O-N 3.28Å; E237-L239 VanDerWaalsContact C-N 3.33Å; E237-L239 PolarHBondContact O-N 3.08Å; L239-C242 PolarHBondContact O-N 3.44Å; L239-V243 HydrophobicContact CD1-CG2 4.37Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-V243 PolarHBondContact O-N 3.12Å
240K87.8Confident87Confident127 Ų12793.2 Ų93.255%0.55246%0.461SS*.Hα-helixtrans-62.6-45.7177.6-171.9179.9178.1-175.60111.3H236 E237 V243 Q244H236-K240 WeakPolarHBondContact O-CB 3.33Å; H236-K240 PolarHBondContact O-N 2.88Å; E237-K240 PolarHBondContact O-N 3.45Å; K240-V243 PolarHBondContact O-N 2.98Å; K240-Q244 WeakPolarHBondContact O-CG 3.4Å; K240-Q244 PolarHBondContact O-N 3.5Å
241M87.9Confident87.7Confident111 Ų11185.1 Ų85.155%0.54743%0.431SS..Hα-helixtrans-61.3-44.3175-70-164.7-58.600111.7E237 Q238 V243 Q244 E245E237-M241 WeakPolarHBondContact O-CG 3.41Å; E237-M241 PolarHBondContact O-N 3.25Å; Q238-M241 PolarHBondContact O-N 3.4Å; M241-V243 PolarHBondContact O-N 3.48Å; M241-Q244 PolarHBondContact O-N 2.94Å; M241-E245 WeakPolarHBondContact O-CB 3.42Å; M241-E245 PolarHBondContact O-N 3.42Å
242C88.1Confident88.8Confident24 Ų2480.3 Ų80.316%0.16240%0.397CS..Hα-helixtrans-59.6-47.7177.2-179.60000111.6L234 Q238 L239 Q244 E245 Y246L234-C242 HydrophobicContact CD1-CB 4.48Å; Q238-C242 VanDerWaalsContact O-CB 3.27Å; Q238-C242 WeakPolarHBondContact O-CB 3.29Å; Q238-C242 PolarHBondContact O-N 3.24Å; L239-C242 PolarHBondContact O-N 3.44Å; C242-Q244 VanDerWaalsContact C-N 3.35Å; C242-Q244 PolarHBondContact O-N 3.26Å; C242-E245 PolarHBondContact O-N 3.39Å; C242-Y246 VanDerWaalsContact O-CD2 3.27Å; C242-Y246 WeakPolarHBondContact O-CD2 3.34Å; C242-Y246 PolarHBondContact O-N 2.91Å
243V89.8Confident89.7Confident7 Ų775.5 Ų75.54%0.04237%0.374CS..Hα-helixtrans-59.9-46.1176.3172.60000111A222 I225 R226 L239 K240 M241 E245 Y246 Q247A222-V243 HydrophobicContact CB-CG1 3.66Å; I225-V243 HydrophobicContact CG2-CG2 4.04Å; R226-V243 HydrophobicContact CG-CG2 3.68Å; L239-V243 HydrophobicContact CD1-CG2 4.37Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-V243 PolarHBondContact O-N 3.12Å; K240-V243 PolarHBondContact O-N 2.98Å; M241-V243 PolarHBondContact O-N 3.48Å; V243-E245 VanDerWaalsContact C-N 3.32Å; V243-E245 PolarHBondContact O-N 3.16Å; V243-Y246 PolarHBondContact O-N 2.84Å; V243-Q247 WeakPolarHBondContact O-CB 3.47Å; V243-Q247 PolarHBondContact O-N 3.46Å
244Q88.2Confident90.4Very high127 Ų12767.4 Ų67.459%0.59333%0.331SS*.Hα-helixtrans-61.2-39.2178.9-74175.2-25.900112.7K240 M241 C242K240-Q244 WeakPolarHBondContact O-CG 3.4Å; K240-Q244 PolarHBondContact O-N 3.5Å; M241-Q244 PolarHBondContact O-N 2.94Å; C242-Q244 VanDerWaalsContact C-N 3.35Å; C242-Q244 PolarHBondContact O-N 3.26Å
245E88.8Confident91Very high100 Ų10064.3 Ų64.347%0.46732%0.315SS..Hα-helixtrans-69.5-41.9-179.9-163.7-158.7145.600112.4M241 C242 V243 K249M241-E245 WeakPolarHBondContact O-CB 3.42Å; M241-E245 PolarHBondContact O-N 3.42Å; C242-E245 PolarHBondContact O-N 3.39Å; V243-E245 VanDerWaalsContact C-N 3.32Å; V243-E245 PolarHBondContact O-N 3.16Å; E245-K249 VanDerWaalsContact O-CE 3.31Å; E245-K249 WeakPolarHBondContact O-CE 3.19Å; E245-K249 IonicContact OE1-NZ 2.84Å; E245-K249 PolarHBondContact OE1-NZ 2.93Å
246Y88.6Confident91.5Very high86 Ų8661.7 Ų61.734%0.33730%0.296SS..Hα-helixtrans-95.4-25.5-170.8-75.1-82.2000113.9C242 V243 G248 K249 Y250C242-Y246 VanDerWaalsContact O-CD2 3.27Å; C242-Y246 WeakPolarHBondContact O-CD2 3.34Å; C242-Y246 PolarHBondContact O-N 2.91Å; V243-Y246 PolarHBondContact O-N 2.84Å; Y246-G248 PolarHBondContact O-N 3.21Å; Y246-K249 HydrophobicContact CD1-CD 4.22Å; Y246-K249 PolarHBondContact O-N 2.87Å; Y246-Y250 AromaticContact CD1-CE2 3.88Å; Y246-Y250 HydrophobicContact CD1-CE2 3.88Å; Y246-Y250 HydrophobicContact CG-CE2 4.44Å; Y246-Y250 VanDerWaalsContact O-CD2 3.22Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.48Å
247Q89Confident92.1Very high52 Ų5254.5 Ų54.524%0.24326%0.264CS..Hα-helixtrans-55.6-40-177.5180-178.89.200112.4E218 A222 V243 K249E218-Q247 HydrophobicContact CB-CG 4.44Å; E218-Q247 PolarHBondContact O-NE2 2.99Å; A222-Q247 HydrophobicContact CB-CG 4.3Å; V243-Q247 WeakPolarHBondContact O-CB 3.47Å; V243-Q247 PolarHBondContact O-N 3.46Å; Q247-K249 VanDerWaalsContact C-N 3.32Å; Q247-K249 PolarHBondContact O-N 3.02Å
248G89.4Confident92.6Very high44 Ų4448.8 Ų48.845%0.45424%0.238SC..THydrogen-bonded Turntrans-76.3-13179.300000115.1Y246 K290Y246-G248 PolarHBondContact O-N 3.21Å; G248-K290 VanDerWaalsContact O-CD 3.26Å; G248-K290 WeakPolarHBondContact O-CD 3.29Å; G248-K290 WeakPolarHBondContact O-CE 3.23Å; G248-K290 PolarHBondContact O-NZ 3.1Å
249K93.7Very high93.1Very high97 Ų9745.5 Ų45.542%0.42222%0.223SC..THydrogen-bonded Turntrans-91-12-174.7-63-178-176.3173.30113.8E245 Y246 Q247 K290E245-K249 VanDerWaalsContact O-CE 3.31Å; E245-K249 WeakPolarHBondContact O-CE 3.19Å; E245-K249 IonicContact OE1-NZ 2.84Å; E245-K249 PolarHBondContact OE1-NZ 2.93Å; Y246-K249 HydrophobicContact CD1-CD 4.22Å; Y246-K249 PolarHBondContact O-N 2.87Å; Q247-K249 VanDerWaalsContact C-N 3.32Å; Q247-K249 PolarHBondContact O-N 3.02Å; K249-K290 PolarHBondContact O-N 3.41Å
250Y95.7Very high93.7Very high63 Ų6343.7 Ų43.725%0.24721%0.213CC..EExtended strand (participates in β ladder)trans-117.1163.5-177.5-61.9-78.5000112.7Y246 L287 M288 A289 K290Y246-Y250 AromaticContact CD1-CE2 3.88Å; Y246-Y250 HydrophobicContact CD1-CE2 3.88Å; Y246-Y250 HydrophobicContact CG-CE2 4.44Å; Y246-Y250 VanDerWaalsContact O-CD2 3.22Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.48Å; Y250-L287 HydrophobicContact CD1-CD2 4.16Å; Y250-L287 HydrophobicContact CD1-CG 3.93Å; Y250-L287 HydrophobicContact CD2-CD2 4.39Å; Y250-L287 HydrophobicContact CG-CD1 4.14Å; Y250-L287 HydrophobicContact CG-CD2 4.11Å; Y250-L287 HydrophobicContact CG-CG 3.95Å; Y250-M288 CarbonylContact C-O 3.51Å; Y250-M288 VanDerWaalsContact CA-O 3.25Å; Y250-M288 WeakPolarHBondContact CA-O 3.36Å; Y250-A289 HydrophobicContact CD1-CB 4.3Å; Y250-A289 HydrophobicContact CE1-CB 4.23Å; Y250-K290 WeakPolarHBondContact O-CE 3.27Å
251I97.1Very high94.2Very high9 Ų937.9 Ų37.95%0.04619%0.188CC..EExtended strand (participates in β ladder)trans-136.3166.4172.351.4171.1000109.4Y260 L262 M288 K290 L293I251-Y260 HydrophobicContact CD1-CD1 3.96Å; I251-Y260 HydrophobicContact CD1-CE1 4.34Å; I251-L262 HydrophobicContact CB-CD2 4.38Å; I251-L262 HydrophobicContact CD1-CD2 4.07Å; I251-L262 HydrophobicContact CG2-CD2 4.05Å; I251-M288 HydrophobicContact CG1-CB 4.17Å; I251-M288 WeakPolarHBondContact CG1-O 3.38Å; I251-M288 PolarHBondContact N-O 2.95Å; I251-M288 PolarHBondContact O-N 3.4Å; I251-K290 HydrophobicContact CG2-CD 4.26Å; I251-K290 HydrophobicContact CG2-CG 3.63Å; I251-L293 HydrophobicContact CD1-CB 3.88Å; I251-L293 HydrophobicContact CD1-CD2 3.34Å; I251-L293 HydrophobicContact CD1-CG 4.22Å
252L98.4Very high94.6Very high0 Ų034.3 Ų34.30%017%0.171CC..EExtended strand (participates in β ladder)trans-107131.6174.8-63.1172.6000110.3I194 P217 V220 I221 Y260 L261 L285 M286 L287I194-L252 HydrophobicContact CD1-CD2 4.12Å; P217-L252 HydrophobicContact CB-CD1 4.14Å; V220-L252 HydrophobicContact CB-CD1 3.95Å; V220-L252 HydrophobicContact CG1-CD1 3.99Å; I221-L252 HydrophobicContact CD1-CG 4.2Å; I221-L252 HydrophobicContact CG1-CD1 4.24Å; I221-L252 HydrophobicContact CG1-CD2 4.04Å; I221-L252 HydrophobicContact CG1-CG 3.88Å; L252-Y260 WeakPolarHBondContact O-CA 3.26Å; L252-L261 HydrophobicContact CB-CB 4.17Å; L252-L261 HydrophobicContact CB-CD2 4.28Å; L252-L261 HydrophobicContact CD1-CD2 4.28Å; L252-L261 PolarHBondContact O-N 3.06Å; L252-L285 HydrophobicContact CD1-CD1 4.09Å; L252-L285 HydrophobicContact CD2-CB 4.42Å; L252-M286 WeakPolarHBondContact CA-O 3.46Å; L252-L287 HydrophobicContact CD2-CD1 3.98Å
253K98.3Very high95Very high6 Ų636.6 Ų36.63%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-111.6144.5170.6-170.9-170.9-165.3-85.80109.3C257 D258 E259 Y260 L285 M286 M288 D787K253-C257 PolarHBondContact NZ-O 3.03Å; K253-D258 VanDerWaalsContact CE-OD1 3.26Å; K253-D258 WeakPolarHBondContact CE-OD1 3.28Å; K253-D258 IonicContact NZ-OD1 3.55Å; K253-D258 PolarHBondContact NZ-OD1 3.25Å; K253-E259 CarbonylContact C-O 3.49Å; K253-E259 WeakPolarHBondContact CA-O 3.49Å; K253-Y260 HydrophobicContact CB-CD1 3.9Å; K253-Y260 HydrophobicContact CB-CE1 3.9Å; K253-Y260 HydrophobicContact CD-CE1 3.84Å; K253-Y260 WeakPolarHBondContact CE-OH 3.28Å; K253-Y260 HydrophobicContact CG-CD1 3.93Å; K253-Y260 HydrophobicContact CG-CE1 3.66Å; K253-Y260 HydrophobicContact CG-CE2 4.37Å; K253-Y260 HydrophobicContact CG-CG 4.42Å; K253-L285 CarbonylContact O-C 3.52Å; K253-L285 VanDerWaalsContact O-CA 3.29Å; K253-L285 WeakPolarHBondContact O-CA 3.04Å; K253-M286 HydrophobicContact CB-CB 4.46Å; K253-M286 HydrophobicContact CB-CE 4.42Å; K253-M286 HydrophobicContact CD-CE 3.73Å; K253-M286 PolarHBondContact N-O 3.31Å; K253-M286 PolarHBondContact O-N 3.27Å; K253-M288 HydrophobicContact CD-CE 3.78Å; K253-D787 IonicContact NZ-OD2 2.72Å; K253-D787 PolarHBondContact NZ-OD2 3.02Å
254V98.6Very high95.3Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-69133.2168.1178.90000109.1G256 C257 E259 L261 Y272 L285V254-G256 PolarHBondContact O-N 3.46Å; V254-C257 VanDerWaalsContact O-O 3.04Å; V254-E259 HydrophobicContact CB-CB 4.13Å; V254-E259 HydrophobicContact CG2-CB 3.9Å; V254-E259 HydrophobicContact CG2-CG 4.06Å; V254-E259 PolarHBondContact N-O 3.04Å; V254-L261 HydrophobicContact CG2-CD1 4.16Å; V254-Y272 HydrophobicContact CB-CD1 4.49Å; V254-Y272 HydrophobicContact CG1-CD1 3.93Å; V254-Y272 HydrophobicContact CG1-CD2 3.63Å; V254-Y272 HydrophobicContact CG1-CE1 3.88Å; V254-Y272 HydrophobicContact CG1-CE2 3.58Å; V254-Y272 HydrophobicContact CG1-CG 3.81Å; V254-Y272 HydrophobicContact CG2-CD1 3.78Å; V254-Y272 HydrophobicContact CG2-CE1 4.35Å; V254-Y272 HydrophobicContact CG2-CG 3.88Å; V254-L285 HydrophobicContact CG2-CD2 4.13Å
255C98.5Very high95.8Very high1 Ų140.9 Ų40.91%0.00719%0.194CC..THydrogen-bonded Turntrans-67130.9177.4-66.90000110.4N284 L285 M789 L792 L793C255-N284 HydrophobicContact CB-CB 3.99Å; C255-N284 WeakPolarHBondContact CB-O 3.22Å; C255-N284 PolarHBondContact N-O 3.46Å; C255-N284 VanDerWaalsContact SG-C 3.53Å; C255-N284 PolarHBondContact SG-O 2.84Å; C255-N284 VanDerWaalsContact SG-O 3.36Å; C255-L285 VanDerWaalsContact SG-C 3.56Å; C255-M789 HydrophobicContact CB-CB 3.75Å; C255-M789 HydrophobicContact CB-CG 4.39Å; C255-L792 HydrophobicContact CB-CB 3.99Å; C255-L792 HydrophobicContact CB-CD1 3.9Å; C255-L793 WeakPolarHBondContact O-CB 3.38Å
256G97.4Very high96.2Very high0 Ų037.3 Ų37.30%018%0.179CC..THydrogen-bonded Turntrans91.5-4.9175.200000116.2V254 N785 D787V254-G256 PolarHBondContact O-N 3.46Å; G256-N785 PolarHBondContact O-ND2 3.46Å; G256-D787 WeakPolarHBondContact CA-OD1 3.27Å; G256-D787 PolarHBondContact N-OD1 2.77Å
257C97.8Very high96.7Very high9 Ų933.2 Ų33.26%0.06116%0.163CC..SBendtrans-154.3162.9176.864.30000112.7K253 V254 E259 A758 L793K253-C257 PolarHBondContact NZ-O 3.03Å; V254-C257 VanDerWaalsContact O-O 3.04Å; C257-E259 PolarHBondContact O-N 3.08Å; C257-A758 WeakPolarHBondContact CB-O 3.36Å; C257-L793 HydrophobicContact CB-CD2 3.89Å
258D97.5Very high97.1Very high24 Ų2430.8 Ų30.813%0.12815%0.151CC..SBendtrans-85.258.5-177.8-66.3-16000112.3Y167 K253 Y260 A758 Q760Y167-D258 HydrophobicContact CE1-CB 4.06Å; K253-D258 VanDerWaalsContact CE-OD1 3.26Å; K253-D258 WeakPolarHBondContact CE-OD1 3.28Å; K253-D258 IonicContact NZ-OD1 3.55Å; K253-D258 PolarHBondContact NZ-OD1 3.25Å; D258-Y260 HydrophobicContact CB-CE2 4.22Å; D258-A758 PolarHBondContact N-O 2.83Å; D258-Q760 PolarHBondContact OD2-NE2 3.43Å
259E98.3Very high97.5Very high24 Ų2429.2 Ų29.211%0.11213%0.133CC..  trans-114.8130.8172.3-172.5173.312900110N170 K253 V254 C257N170-E259 HydrophobicContact CB-CG 4.16Å; N170-E259 PolarHBondContact ND2-OE2 3.25Å; K253-E259 CarbonylContact C-O 3.49Å; K253-E259 WeakPolarHBondContact CA-O 3.49Å; V254-E259 HydrophobicContact CB-CB 4.13Å; V254-E259 HydrophobicContact CG2-CB 3.9Å; V254-E259 HydrophobicContact CG2-CG 4.06Å; V254-E259 PolarHBondContact N-O 3.04Å; C257-E259 PolarHBondContact O-N 3.08Å
260Y98.3Very high97.7Very high6 Ų624.6 Ų24.62%0.02411%0.112CC..EExtended strand (participates in β ladder)trans-126.7144.4-172.6-62.2-99.6000111.4Y167 I251 L252 K253 D258 L262 M288 L293Y167-Y260 AromaticContact CD1-CD2 3.65Å; Y167-Y260 HydrophobicContact CD1-CD2 3.65Å; Y167-Y260 AromaticContact CD1-CE2 3.58Å; Y167-Y260 HydrophobicContact CD1-CE2 3.58Å; Y167-Y260 HydrophobicContact CD2-CD2 4.17Å; Y167-Y260 HydrophobicContact CD2-CE2 4.12Å; Y167-Y260 HydrophobicContact CE1-CD2 4.28Å; Y167-Y260 AromaticContact CE1-CE2 3.72Å; Y167-Y260 HydrophobicContact CE1-CE2 3.72Å; Y167-Y260 HydrophobicContact CE2-CE2 4.24Å; Y167-Y260 AromaticContact CG-CD2 3.58Å; Y167-Y260 HydrophobicContact CG-CD2 3.58Å; Y167-Y260 AromaticContact CG-CE2 3.78Å; Y167-Y260 HydrophobicContact CG-CE2 3.78Å; I251-Y260 HydrophobicContact CD1-CD1 3.96Å; I251-Y260 HydrophobicContact CD1-CE1 4.34Å; L252-Y260 WeakPolarHBondContact O-CA 3.26Å; K253-Y260 HydrophobicContact CB-CD1 3.9Å; K253-Y260 HydrophobicContact CB-CE1 3.9Å; K253-Y260 HydrophobicContact CD-CE1 3.84Å; K253-Y260 WeakPolarHBondContact CE-OH 3.28Å; K253-Y260 HydrophobicContact CG-CD1 3.93Å; K253-Y260 HydrophobicContact CG-CE1 3.66Å; K253-Y260 HydrophobicContact CG-CE2 4.37Å; K253-Y260 HydrophobicContact CG-CG 4.42Å; D258-Y260 HydrophobicContact CB-CE2 4.22Å; Y260-L262 PolarHBondContact O-N 3.21Å; Y260-M288 HydrophobicContact CE1-CE 4.42Å; Y260-M288 HydrophobicContact CE1-SD 3.98Å; Y260-L293 HydrophobicContact CD1-CD2 4.08Å; Y260-L293 HydrophobicContact CE1-CD1 3.83Å; Y260-L293 HydrophobicContact CE1-CD2 4.11Å; Y260-L293 HydrophobicContact CE2-CD1 4.39Å
261L98.2Very high97.8Very high5 Ų524.5 Ų24.53%0.02611%0.113CC..EExtended strand (participates in β ladder)trans-99.779.3176.9-72.960.3000108.4P217 L252 V254 L267 Y270 L285P217-L261 HydrophobicContact CB-CB 4.16Å; P217-L261 HydrophobicContact CG-CB 3.81Å; P217-L261 HydrophobicContact CG-CD2 4.26Å; L252-L261 HydrophobicContact CB-CB 4.17Å; L252-L261 HydrophobicContact CB-CD2 4.28Å; L252-L261 HydrophobicContact CD1-CD2 4.28Å; L252-L261 PolarHBondContact O-N 3.06Å; V254-L261 HydrophobicContact CG2-CD1 4.16Å; L261-L267 HydrophobicContact CD2-CD1 3.45Å; L261-L267 VanDerWaalsContact CD2-CD1 3.45Å; L261-Y270 HydrophobicContact CB-CE1 3.95Å; L261-Y270 HydrophobicContact CB-CE2 4.21Å; L261-Y270 HydrophobicContact CD1-CD1 4.19Å; L261-Y270 HydrophobicContact CD1-CE1 4.33Å; L261-Y270 HydrophobicContact CD2-CD2 4.14Å; L261-Y270 HydrophobicContact CD2-CE2 4.19Å; L261-Y270 HydrophobicContact CD2-CG 4.35Å; L261-Y270 HydrophobicContact CG-CD1 3.74Å; L261-Y270 HydrophobicContact CG-CD2 4.01Å; L261-Y270 HydrophobicContact CG-CE1 3.61Å; L261-Y270 HydrophobicContact CG-CE2 3.88Å; L261-Y270 HydrophobicContact CG-CG 3.93Å; L261-L285 HydrophobicContact CD1-CD2 4.5Å; L261-L285 HydrophobicContact CD2-CD1 4.17Å
262L96.6Very high97.9Very high36 Ų3625.7 Ų25.719%0.18812%0.117CC..  trans-90.5-20.5-172.7-59.3-177.5000113.8A163 L164 Y167 I251 Y260 L293A163-L262 HydrophobicContact CB-CD1 3.95Å; L164-L262 HydrophobicContact CD2-CB 3.77Å; L164-L262 HydrophobicContact CD2-CD1 4.22Å; Y167-L262 WeakPolarHBondContact O-CD1 3.4Å; I251-L262 HydrophobicContact CB-CD2 4.38Å; I251-L262 HydrophobicContact CD1-CD2 4.07Å; I251-L262 HydrophobicContact CG2-CD2 4.05Å; Y260-L262 PolarHBondContact O-N 3.21Å; L262-L293 HydrophobicContact CD2-CD2 4.19Å
263E96.6Very high97.9Very high72 Ų7225.8 Ų25.834%0.33612%0.118SC..SBendtrans-112.9162.7-173.4-81.8-60.915300113.3L164 P169 Y265 Y270L164-E263 WeakPolarHBondContact CD1-OE1 3.33Å; L164-E263 HydrophobicContact CD2-CG 3.7Å; P169-E263 HydrophobicContact CG-CB 3.69Å; P169-E263 HydrophobicContact CG-CG 3.61Å; E263-Y265 HydrophobicContact CB-CD2 3.52Å; E263-Y265 HydrophobicContact CB-CE2 3.53Å; E263-Y265 HydrophobicContact CG-CE2 4.17Å; E263-Y265 PolarHBondContact O-N 3.47Å; E263-Y270 PolarHBondContact N-OH 3.34Å; E263-Y270 PolarHBondContact O-OH 3.47Å
264K96.9Very high97.8Very high135 Ų13526.1 Ų26.159%0.58712%0.119SC*.  trans-80.243.9-176.4-63.6-175.9177-175.20113.5V216 E218V216-K264 HydrophobicContact CG1-CB 4.46Å; E218-K264 VanDerWaalsContact OE1-CE 3.22Å; E218-K264 WeakPolarHBondContact OE1-CE 3.42Å; E218-K264 IonicContact OE1-NZ 3.07Å; E218-K264 IonicContact OE2-NZ 2.85Å
265Y98.1Very high97.7Very high90 Ų9028.7 Ų28.735%0.35314%0.137SC..  trans-82.6145.2170.9-65.4-71.3000111.2P169 V171 P217 E263P169-Y265 HydrophobicContact CB-CD2 4.1Å; P169-Y265 HydrophobicContact CB-CE2 3.97Å; P169-Y265 HydrophobicContact CG-CD2 4.46Å; P169-Y265 HydrophobicContact CG-CE2 4.12Å; V171-Y265 HydrophobicContact CG1-CD2 3.75Å; V171-Y265 HydrophobicContact CG1-CE2 4.28Å; V171-Y265 HydrophobicContact CG1-CG 3.95Å; V171-Y265 HydrophobicContact CG2-CD2 4.45Å; V171-Y265 HydrophobicContact CG2-CE2 4.22Å; P217-Y265 VanDerWaalsContact CD-O 3.31Å; P217-Y265 WeakPolarHBondContact CD-O 3.34Å; E263-Y265 HydrophobicContact CB-CD2 3.52Å; E263-Y265 HydrophobicContact CB-CE2 3.53Å; E263-Y265 HydrophobicContact CG-CE2 4.17Å; E263-Y265 PolarHBondContact O-N 3.47Å
266P98.2Very high97.7Very high24 Ų2429 Ų2916%0.15614%0.139CC..  trans-51.1138.4166.8-30.439.8000111.6V175 D214 S268 Q269V175-P266 HydrophobicContact CG1-CB 4.41Å; V175-P266 HydrophobicContact CG1-CG 3.83Å; D214-P266 HydrophobicContact CB-CB 4.43Å; P266-S268 PolarHBondContact O-N 3.04Å; P266-Q269 HydrophobicContact CB-CB 4.46Å; P266-Q269 VanDerWaalsContact O-CB 3.26Å; P266-Q269 WeakPolarHBondContact O-CB 3.45Å; P266-Q269 PolarHBondContact O-N 3.36Å
267L97.9Very high97.6Very high0 Ų029.4 Ų29.40%014%0.141CC..G310 helixtrans-57.3-39.8-173.5-166.766.4000112.1V192 I211 H213 C215 V220 L261 Q269 Y270 V273 L285V192-L267 HydrophobicContact CG1-CD2 3.94Å; I211-L267 HydrophobicContact CD1-CD2 3.67Å; H213-L267 PolarHBondContact O-N 2.83Å; C215-L267 VanDerWaalsContact O-CB 3.31Å; C215-L267 WeakPolarHBondContact O-CB 3.39Å; C215-L267 PolarHBondContact O-N 2.96Å; V220-L267 HydrophobicContact CG2-CD2 4.11Å; L261-L267 HydrophobicContact CD2-CD1 3.45Å; L261-L267 VanDerWaalsContact CD2-CD1 3.45Å; L267-Q269 PolarHBondContact O-N 3.36Å; L267-Y270 PolarHBondContact O-N 2.86Å; L267-V273 HydrophobicContact CD1-CG2 4.08Å; L267-V273 HydrophobicContact CG-CG1 4.11Å; L267-V273 HydrophobicContact CG-CG2 3.98Å; L267-V273 WeakPolarHBondContact O-CB 3.39Å; L267-V273 WeakPolarHBondContact O-CG1 3.47Å; L267-V273 WeakPolarHBondContact O-CG2 3.45Å; L267-L285 HydrophobicContact CD1-CD1 4.28Å
268S97.5Very high97.4Very high1 Ų130.6 Ų30.61%0.00715%0.146CC..G310 helixtrans-67.1-9.8176.459.90000115.1H213 P266 R274H213-S268 PolarHBondContact ND1-OG 3.42Å; H213-S268 WeakPolarHBondContact O-CB 2.97Å; H213-S268 PolarHBondContact O-N 2.88Å; H213-S268 PolarHBondContact O-OG 3.39Å; P266-S268 PolarHBondContact O-N 3.04Å; S268-R274 PolarHBondContact O-NE 3.14Å; S268-R274 PolarHBondContact O-NH2 3.14Å; S268-R274 VanDerWaalsContact O-NH2 3.14Å
269Q97.9Very high97Very high12 Ų1232.2 Ų32.26%0.05616%0.155CC..G310 helixtrans-85.4-22.9175.6-163.1-178.9-0.200112.2V171 E172 P266 L267 K271V171-Q269 CarbonylContact C-O 3.36Å; V171-Q269 WeakPolarHBondContact CA-O 3.2Å; V171-Q269 HydrophobicContact CB-CG 4.24Å; E172-Q269 HydrophobicContact CB-CG 4.33Å; E172-Q269 PolarHBondContact N-O 3.2Å; E172-Q269 WeakPolarHBondContact O-CG 3.42Å; E172-Q269 PolarHBondContact O-NE2 2.79Å; P266-Q269 HydrophobicContact CB-CB 4.46Å; P266-Q269 VanDerWaalsContact O-CB 3.26Å; P266-Q269 WeakPolarHBondContact O-CB 3.45Å; P266-Q269 PolarHBondContact O-N 3.36Å; L267-Q269 PolarHBondContact O-N 3.36Å; Q269-K271 PolarHBondContact O-N 2.86Å
270Y98.5Very high96.7Very high0 Ų034.5 Ų34.50%018%0.184CC..BIsolated β-bridgetrans-66.2129173-73.9-88.3000110.4P169 N170 V171 P217 L261 E263 L267 Y272 V273 R274P169-Y270 HydrophobicContact CB-CE1 4.01Å; N170-Y270 WeakPolarHBondContact O-CA 3.29Å; V171-Y270 HydrophobicContact CG1-CD1 3.69Å; V171-Y270 HydrophobicContact CG1-CD2 4.44Å; V171-Y270 HydrophobicContact CG1-CE1 3.79Å; V171-Y270 HydrophobicContact CG1-CG 4.04Å; P217-Y270 HydrophobicContact CG-CE2 4Å; L261-Y270 HydrophobicContact CB-CE1 3.95Å; L261-Y270 HydrophobicContact CB-CE2 4.21Å; L261-Y270 HydrophobicContact CD1-CD1 4.19Å; L261-Y270 HydrophobicContact CD1-CE1 4.33Å; L261-Y270 HydrophobicContact CD2-CD2 4.14Å; L261-Y270 HydrophobicContact CD2-CE2 4.19Å; L261-Y270 HydrophobicContact CD2-CG 4.35Å; L261-Y270 HydrophobicContact CG-CD1 3.74Å; L261-Y270 HydrophobicContact CG-CD2 4.01Å; L261-Y270 HydrophobicContact CG-CE1 3.61Å; L261-Y270 HydrophobicContact CG-CE2 3.88Å; L261-Y270 HydrophobicContact CG-CG 3.93Å; E263-Y270 PolarHBondContact N-OH 3.34Å; E263-Y270 PolarHBondContact O-OH 3.47Å; L267-Y270 PolarHBondContact O-N 2.86Å; Y270-Y272 VanDerWaalsContact C-N 3.26Å; Y270-Y272 PolarHBondContact O-N 3.15Å; Y270-V273 PolarHBondContact O-N 2.97Å; Y270-R274 PolarHBondContact O-N 3.21Å
271K98.1Very high96.5Very high60 Ų6041.6 Ų41.626%0.26121%0.211SC..Hα-helixtrans-58.3-38.6-172.9-64.4-160.6-178.8174.80112.4N170 V171 E172 Q269 V273 R274 S275 D626N170-K271 PolarHBondContact O-N 3.36Å; N170-K271 WeakPolarHBondContact OD1-CD 3.35Å; V171-K271 WeakPolarHBondContact O-CE 3.39Å; E172-K271 HydrophobicContact CG-CG 4.17Å; Q269-K271 PolarHBondContact O-N 2.86Å; K271-V273 PolarHBondContact O-N 3.48Å; K271-R274 PolarHBondContact O-N 3.23Å; K271-S275 WeakPolarHBondContact O-CB 3.21Å; K271-S275 PolarHBondContact O-N 2.99Å; K271-D626 WeakPolarHBondContact CE-OD1 3.31Å; K271-D626 IonicContact NZ-OD1 2.77Å; K271-D626 PolarHBondContact NZ-OD1 2.97Å
272Y98.4Very high96.4Very high35 Ų3545.8 Ų45.814%0.13723%0.232CC..Hα-helixtrans-56.7-47.8173.5172.1-105.7000112.5V254 Y270 S275 C276 P283 N284 L285 L793V254-Y272 HydrophobicContact CB-CD1 4.49Å; V254-Y272 HydrophobicContact CG1-CD1 3.93Å; V254-Y272 HydrophobicContact CG1-CD2 3.63Å; V254-Y272 HydrophobicContact CG1-CE1 3.88Å; V254-Y272 HydrophobicContact CG1-CE2 3.58Å; V254-Y272 HydrophobicContact CG1-CG 3.81Å; V254-Y272 HydrophobicContact CG2-CD1 3.78Å; V254-Y272 HydrophobicContact CG2-CE1 4.35Å; V254-Y272 HydrophobicContact CG2-CG 3.88Å; Y270-Y272 VanDerWaalsContact C-N 3.26Å; Y270-Y272 PolarHBondContact O-N 3.15Å; Y272-S275 PolarHBondContact O-N 2.91Å; Y272-C276 PolarHBondContact O-N 3.09Å; Y272-C276 PolarHBondContact O-SG 2.89Å; Y272-P283 HydrophobicContact CE1-CB 3.95Å; Y272-N284 PolarHBondContact OH-N 3.02Å; Y272-N284 PolarHBondContact OH-O 3.23Å; Y272-L285 HydrophobicContact CD1-CD2 4.06Å; Y272-L285 HydrophobicContact CE1-CD2 3.83Å; Y272-L793 HydrophobicContact CE2-CD1 4.31Å
273V98.3Very high96.5Very high1 Ų144.1 Ų44.11%0.00622%0.223CC..Hα-helixtrans-70.5-44.1-178.4-179.70000110.4I190 L267 Y270 K271 S275 C276 I277 P283I190-V273 HydrophobicContact CD1-CG1 3.85Å; L267-V273 HydrophobicContact CD1-CG2 4.08Å; L267-V273 HydrophobicContact CG-CG1 4.11Å; L267-V273 HydrophobicContact CG-CG2 3.98Å; L267-V273 WeakPolarHBondContact O-CB 3.39Å; L267-V273 WeakPolarHBondContact O-CG1 3.47Å; L267-V273 WeakPolarHBondContact O-CG2 3.45Å; Y270-V273 PolarHBondContact O-N 2.97Å; K271-V273 PolarHBondContact O-N 3.48Å; V273-S275 VanDerWaalsContact C-N 3.3Å; V273-S275 PolarHBondContact O-N 2.96Å; V273-C276 WeakPolarHBondContact O-CB 3.44Å; V273-C276 PolarHBondContact O-N 3.3Å; V273-C276 VanDerWaalsContact O-N 3.13Å; V273-I277 HydrophobicContact CG1-CD1 4.28Å; V273-I277 WeakPolarHBondContact O-CG1 3.49Å; V273-I277 PolarHBondContact O-N 3.01Å; V273-P283 HydrophobicContact CG1-CG 4.32Å
274R97.1Very high96.6Very high13 Ų1342 Ų425%0.04921%0.214CC..Hα-helixtrans-55.9-46.7174.9-175.568.864.3120-5.6111E172 E176 L177 S268 Y270 K271 C276 I277 M278E172-R274 HydrophobicContact CG-CB 4.48Å; E172-R274 HydrophobicContact CG-CG 4.34Å; E176-R274 PolarHBondContact O-NH1 2.8Å; E176-R274 VanDerWaalsContact O-NH1 3.15Å; E176-R274 PolarHBondContact O-NH2 3.49Å; L177-R274 VanDerWaalsContact CD2-NE 3.26Å; S268-R274 PolarHBondContact O-NE 3.14Å; S268-R274 PolarHBondContact O-NH2 3.14Å; S268-R274 VanDerWaalsContact O-NH2 3.14Å; Y270-R274 PolarHBondContact O-N 3.21Å; K271-R274 PolarHBondContact O-N 3.23Å; R274-C276 PolarHBondContact O-N 3.31Å; R274-I277 PolarHBondContact O-N 3.01Å; R274-M278 HydrophobicContact CG-SD 4.35Å; R274-M278 WeakPolarHBondContact O-CG 3.39Å; R274-M278 PolarHBondContact O-N 2.81Å
275S95.9Very high96.7Very high55 Ų5535.6 Ų35.639%0.38519%0.186SC..Hα-helixtrans-60.4-43.4175.3-175.80000112K271 Y272 V273 I277 M278 L279K271-S275 WeakPolarHBondContact O-CB 3.21Å; K271-S275 PolarHBondContact O-N 2.99Å; Y272-S275 PolarHBondContact O-N 2.91Å; V273-S275 VanDerWaalsContact C-N 3.3Å; V273-S275 PolarHBondContact O-N 2.96Å; S275-I277 PolarHBondContact O-N 2.89Å; S275-M278 PolarHBondContact O-N 3.43Å; S275-L279 WeakPolarHBondContact O-CB 3.48Å; S275-L279 VanDerWaalsContact O-CG 3.27Å; S275-L279 WeakPolarHBondContact O-CG 3.31Å; S275-L279 PolarHBondContact O-N 3.33Å
276C97.4Very high96.6Very high6 Ų632 Ų324%0.04117%0.172CC..Hα-helixtrans-58.7-44.4174.9-71.60000112.3Y272 V273 R274 L279 G280 R281 P283Y272-C276 PolarHBondContact O-N 3.09Å; Y272-C276 PolarHBondContact O-SG 2.89Å; V273-C276 WeakPolarHBondContact O-CB 3.44Å; V273-C276 PolarHBondContact O-N 3.3Å; V273-C276 VanDerWaalsContact O-N 3.13Å; R274-C276 PolarHBondContact O-N 3.31Å; C276-L279 PolarHBondContact O-N 2.85Å; C276-G280 PolarHBondContact O-N 3.17Å; C276-R281 HydrophobicContact CB-CB 4.36Å; C276-R281 WeakPolarHBondContact CB-O 3.29Å; C276-R281 PolarHBondContact O-N 3.06Å; C276-P283 HydrophobicContact CB-CB 4.49Å; C276-P283 HydrophobicContact CB-CG 3.76Å
277I96.6Very high96.5Very high9 Ų931.8 Ų31.85%0.04617%0.17CC..Hα-helixtrans-61.3-47.6176.6-61164.5000110.4I181 K184 L185 I190 V273 R274 S275 L279 G280I181-I277 HydrophobicContact CG2-CB 4.33Å; I181-I277 HydrophobicContact CG2-CG2 3.64Å; K184-I277 HydrophobicContact CB-CG2 4.19Å; K184-I277 WeakPolarHBondContact CD-O 3.27Å; L185-I277 HydrophobicContact CD2-CD1 4.11Å; L185-I277 HydrophobicContact CD2-CG1 4.01Å; L185-I277 HydrophobicContact CD2-CG2 3.89Å; L185-I277 HydrophobicContact CG-CG2 4.24Å; I190-I277 HydrophobicContact CD1-CD1 3.99Å; I190-I277 HydrophobicContact CD1-CG1 3.58Å; V273-I277 HydrophobicContact CG1-CD1 4.28Å; V273-I277 WeakPolarHBondContact O-CG1 3.49Å; V273-I277 PolarHBondContact O-N 3.01Å; R274-I277 PolarHBondContact O-N 3.01Å; S275-I277 PolarHBondContact O-N 2.89Å; I277-L279 VanDerWaalsContact C-N 3.35Å; I277-L279 PolarHBondContact O-N 2.8Å; I277-G280 PolarHBondContact O-N 3.42Å
278M92.4Very high96.4Very high34 Ų3433.2 Ų33.217%0.16718%0.177CC..Hα-helixtrans-60.8-44.5179.8-70.6176.669.100111.9I181 R274 S275 G280 Q825 R832I181-M278 HydrophobicContact CD1-CG 3.84Å; I181-M278 HydrophobicContact CD1-SD 3.93Å; I181-M278 HydrophobicContact CG1-CG 4.22Å; I181-M278 HydrophobicContact CG2-CG 4.39Å; R274-M278 HydrophobicContact CG-SD 4.35Å; R274-M278 WeakPolarHBondContact O-CG 3.39Å; R274-M278 PolarHBondContact O-N 2.81Å; S275-M278 PolarHBondContact O-N 3.43Å; M278-G280 VanDerWaalsContact C-N 3.31Å; M278-G280 PolarHBondContact O-N 2.83Å; M278-Q825 HydrophobicContact CE-CG 4.32Å; M278-R832 PolarHBondContact O-NH2 2.91Å
279L90.8Very high96.2Very high59 Ų5934.7 Ų34.731%0.30919%0.189SC..Hα-helixtrans-80.6-5.4-178.4-63.7176.5000113.9S275 C276 I277 R281S275-L279 WeakPolarHBondContact O-CB 3.48Å; S275-L279 VanDerWaalsContact O-CG 3.27Å; S275-L279 WeakPolarHBondContact O-CG 3.31Å; S275-L279 PolarHBondContact O-N 3.33Å; C276-L279 PolarHBondContact O-N 2.85Å; I277-L279 VanDerWaalsContact C-N 3.35Å; I277-L279 PolarHBondContact O-N 2.8Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 HydrophobicContact CB-CG 3.95Å; L279-R281 PolarHBondContact O-N 2.74Å
280G92Very high96.1Very high71 Ų7136.6 Ų36.673%0.73220%0.198SC*.THydrogen-bonded Turntrans65.728.4-174.600000113.3C276 I277 M278C276-G280 PolarHBondContact O-N 3.17Å; I277-G280 PolarHBondContact O-N 3.42Å; M278-G280 VanDerWaalsContact C-N 3.31Å; M278-G280 PolarHBondContact O-N 2.83Å
281R93.9Very high95.8Very high155 Ų15542.7 Ų42.759%0.58523%0.23SC*.PPolyproline II helixtrans-97.1152178.2-64.8-178.8-178.9-176.90110.7C276 L279C276-R281 HydrophobicContact CB-CB 4.36Å; C276-R281 WeakPolarHBondContact CB-O 3.29Å; C276-R281 PolarHBondContact O-N 3.06Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 HydrophobicContact CB-CG 3.95Å; L279-R281 PolarHBondContact O-N 2.74Å
282M96.1Very high95.5Very high94 Ų9442.6 Ų42.646%0.46324%0.237SC..PPolyproline II helixtrans-81.5125172-66.417774.200110I191 V193 T208 N284I191-M282 HydrophobicContact CG2-CE 3.64Å; V193-M282 HydrophobicContact CG2-CE 3.45Å; V193-M282 VanDerWaalsContact CG2-CE 3.45Å; T208-M282 HydrophobicContact CG2-CE 4.25Å; M282-N284 PolarHBondContact O-N 2.95Å; M282-N284 PolarHBondContact O-ND2 2.98Å; M282-N284 VanDerWaalsContact O-ND2 3.11Å
283P98.1Very high95.3Very high1 Ų140.9 Ų40.91%0.00623%0.23CC..PPolyproline II helixtrans-63.5127.6172-20.232.3000110.9I190 I191 V192 V193 Y272 V273 C276I190-P283 HydrophobicContact CD1-CG 3.67Å; I190-P283 HydrophobicContact CG1-CG 4.4Å; I191-P283 WeakPolarHBondContact O-CD 3.2Å; V192-P283 HydrophobicContact CG1-CB 4.17Å; V192-P283 HydrophobicContact CG1-CG 4.07Å; V193-P283 PolarHBondContact N-O 3.03Å; Y272-P283 HydrophobicContact CE1-CB 3.95Å; V273-P283 HydrophobicContact CG1-CG 4.32Å; C276-P283 HydrophobicContact CB-CB 4.49Å; C276-P283 HydrophobicContact CB-CG 3.76Å
284N98.4Very high95.2Very high27 Ų2742.9 Ų42.914%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-108.5111174.5-70.8-79000109W195 C255 Y272 M282 L792W195-N284 PolarHBondContact NE1-OD1 3.34Å; C255-N284 HydrophobicContact CB-CB 3.99Å; C255-N284 WeakPolarHBondContact CB-O 3.22Å; C255-N284 PolarHBondContact N-O 3.46Å; C255-N284 VanDerWaalsContact SG-C 3.53Å; C255-N284 PolarHBondContact SG-O 2.84Å; C255-N284 VanDerWaalsContact SG-O 3.36Å; Y272-N284 PolarHBondContact OH-N 3.02Å; Y272-N284 PolarHBondContact OH-O 3.23Å; M282-N284 PolarHBondContact O-N 2.95Å; M282-N284 PolarHBondContact O-ND2 2.98Å; M282-N284 VanDerWaalsContact O-ND2 3.11Å; N284-L792 HydrophobicContact CB-CB 4.37Å; N284-L792 HydrophobicContact CB-CD1 4.21Å
285L98.5Very high94.9Very high0 Ų046.8 Ų46.80%027%0.267CS..EExtended strand (participates in β ladder)trans-118.9147.6-179.9-54.3175.7000109.4V193 I194 W195 L252 K253 V254 C255 L261 L267 Y272V193-L285 PolarHBondContact O-N 3.46Å; I194-L285 CarbonylContact C-O 3.55Å; I194-L285 VanDerWaalsContact CA-O 3.3Å; I194-L285 WeakPolarHBondContact CA-O 3.29Å; I194-L285 HydrophobicContact CD1-CB 3.87Å; I194-L285 HydrophobicContact CD1-CD1 4.24Å; W195-L285 PolarHBondContact N-O 2.77Å; L252-L285 HydrophobicContact CD1-CD1 4.09Å; L252-L285 HydrophobicContact CD2-CB 4.42Å; K253-L285 CarbonylContact O-C 3.52Å; K253-L285 VanDerWaalsContact O-CA 3.29Å; K253-L285 WeakPolarHBondContact O-CA 3.04Å; V254-L285 HydrophobicContact CG2-CD2 4.13Å; C255-L285 VanDerWaalsContact SG-C 3.56Å; L261-L285 HydrophobicContact CD1-CD2 4.5Å; L261-L285 HydrophobicContact CD2-CD1 4.17Å; L267-L285 HydrophobicContact CD1-CD1 4.28Å; Y272-L285 HydrophobicContact CD1-CD2 4.06Å; Y272-L285 HydrophobicContact CE1-CD2 3.83Å
286M97.5Very high94.7Very high14 Ų1449.8 Ų49.87%0.06928%0.275CS..EExtended strand (participates in β ladder)trans-109.9130.6178.1-173.8174.875.900109.9W195 I197 L252 K253 M288 M789W195-M286 CarbonylContact O-C 3.29Å; W195-M286 WeakPolarHBondContact O-CA 3.36Å; I197-M286 HydrophobicContact CD1-SD 3.51Å; I197-M286 VanDerWaalsContact CD1-SD 3.51Å; I197-M286 HydrophobicContact CG1-SD 3.98Å; L252-M286 WeakPolarHBondContact CA-O 3.46Å; K253-M286 HydrophobicContact CB-CB 4.46Å; K253-M286 HydrophobicContact CB-CE 4.42Å; K253-M286 HydrophobicContact CD-CE 3.73Å; K253-M286 PolarHBondContact N-O 3.31Å; K253-M286 PolarHBondContact O-N 3.27Å; M286-M288 HydrophobicContact CE-CE 3.32Å; M286-M789 HydrophobicContact SD-CE 4.03Å; M286-M789 HydrophobicContact SD-CG 4.02Å
287L96.1Very high94.4Very high21 Ų2150.1 Ų50.111%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-80118.7172.4-166.672.5000109.1I194 W195 V196 I221 Y250 L252I194-L287 HydrophobicContact CG2-CB 3.99Å; W195-L287 PolarHBondContact O-N 2.88Å; V196-L287 HydrophobicContact CG2-CB 4.08Å; V196-L287 HydrophobicContact CG2-CD2 4.19Å; I221-L287 HydrophobicContact CB-CD1 4.33Å; I221-L287 HydrophobicContact CG1-CD1 3.78Å; I221-L287 HydrophobicContact CG2-CD1 4.02Å; Y250-L287 HydrophobicContact CD1-CD2 4.16Å; Y250-L287 HydrophobicContact CD1-CG 3.93Å; Y250-L287 HydrophobicContact CD2-CD2 4.39Å; Y250-L287 HydrophobicContact CG-CD1 4.14Å; Y250-L287 HydrophobicContact CG-CD2 4.11Å; Y250-L287 HydrophobicContact CG-CG 3.95Å; L252-L287 HydrophobicContact CD2-CD1 3.98Å
288M94.4Very high93.6Very high30 Ų3052.2 Ų52.215%0.14829%0.291CS..EExtended strand (participates in β ladder)trans-123.8142-178.7-178-179.3-70.900110.2Y250 I251 K253 Y260 M286 L293Y250-M288 CarbonylContact C-O 3.51Å; Y250-M288 VanDerWaalsContact CA-O 3.25Å; Y250-M288 WeakPolarHBondContact CA-O 3.36Å; I251-M288 HydrophobicContact CG1-CB 4.17Å; I251-M288 WeakPolarHBondContact CG1-O 3.38Å; I251-M288 PolarHBondContact N-O 2.95Å; I251-M288 PolarHBondContact O-N 3.4Å; K253-M288 HydrophobicContact CD-CE 3.78Å; Y260-M288 HydrophobicContact CE1-CE 4.42Å; Y260-M288 HydrophobicContact CE1-SD 3.98Å; M286-M288 HydrophobicContact CE-CE 3.32Å; M288-L293 HydrophobicContact SD-CB 4.34Å
289A94.4Very high93.1Very high32 Ų3256.7 Ų56.726%0.26431%0.314SS..EExtended strand (participates in β ladder)trans-69.3138.2174.100000110.3Y250 D291 S292 L293Y250-A289 HydrophobicContact CD1-CB 4.3Å; Y250-A289 HydrophobicContact CE1-CB 4.23Å; A289-D291 VanDerWaalsContact C-N 3.3Å; A289-D291 PolarHBondContact O-N 3.07Å; A289-S292 WeakPolarHBondContact O-CB 3.46Å; A289-S292 PolarHBondContact O-N 3.42Å; A289-S292 VanDerWaalsContact O-N 3.17Å; A289-L293 PolarHBondContact O-N 3.37Å
290K94.7Very high92.4Very high52 Ų5254.7 Ų54.723%0.22630%0.304CS..Hα-helixtrans-57.4-44177.9-81-175.6-178.5174.20112.1G248 K249 Y250 I251 S292 L293 Y294G248-K290 VanDerWaalsContact O-CD 3.26Å; G248-K290 WeakPolarHBondContact O-CD 3.29Å; G248-K290 WeakPolarHBondContact O-CE 3.23Å; G248-K290 PolarHBondContact O-NZ 3.1Å; K249-K290 PolarHBondContact O-N 3.41Å; Y250-K290 WeakPolarHBondContact O-CE 3.27Å; I251-K290 HydrophobicContact CG2-CD 4.26Å; I251-K290 HydrophobicContact CG2-CG 3.63Å; K290-S292 PolarHBondContact O-N 3.12Å; K290-L293 PolarHBondContact O-N 2.9Å; K290-Y294 HydrophobicContact CB-CD2 4.1Å; K290-Y294 HydrophobicContact CB-CE2 3.68Å; K290-Y294 HydrophobicContact CD-CE2 4.12Å; K290-Y294 HydrophobicContact CG-CE2 4.17Å; K290-Y294 WeakPolarHBondContact O-CD2 3.38Å; K290-Y294 VanDerWaalsContact O-CG 3.26Å; K290-Y294 PolarHBondContact O-N 2.87Å
291D93.1Very high91.9Very high128 Ų12857.1 Ų57.168%0.68431%0.305SS*.Hα-helixtrans-61.5-32.5-179.6-61.4-21.6000112.3A289 S295A289-D291 VanDerWaalsContact C-N 3.3Å; A289-D291 PolarHBondContact O-N 3.07Å; D291-S295 VanDerWaalsContact O-CB 3.29Å; D291-S295 WeakPolarHBondContact O-CB 3.48Å; D291-S295 PolarHBondContact O-N 3.28Å; D291-S295 PolarHBondContact O-OG 2.83Å
292S92.5Very high91.8Very high57 Ų5751.5 Ų51.540%0.39928%0.284SS..Hα-helixtrans-66.4-36.7175.1-58.10000112.5A289 K290 S295 Q296A289-S292 WeakPolarHBondContact O-CB 3.46Å; A289-S292 PolarHBondContact O-N 3.42Å; A289-S292 VanDerWaalsContact O-N 3.17Å; K290-S292 PolarHBondContact O-N 3.12Å; S292-S295 PolarHBondContact O-OG 3.18Å; S292-Q296 WeakPolarHBondContact O-CG 3.4Å; S292-Q296 PolarHBondContact O-NE2 2.95Å; S292-Q296 VanDerWaalsContact O-NE2 3.17Å
293L94Very high91.5Very high0 Ų051.2 Ų51.20%029%0.288CS..Hα-helixtrans-74.6-48173.5-179.764.6000110.8A163 Y167 I251 Y260 L262 M288 A289 K290 S295 Q296 L297A163-L293 HydrophobicContact CB-CD2 4.47Å; Y167-L293 HydrophobicContact CD2-CD1 4.09Å; Y167-L293 HydrophobicContact CE2-CD1 3.69Å; I251-L293 HydrophobicContact CD1-CB 3.88Å; I251-L293 HydrophobicContact CD1-CD2 3.34Å; I251-L293 HydrophobicContact CD1-CG 4.22Å; Y260-L293 HydrophobicContact CD1-CD2 4.08Å; Y260-L293 HydrophobicContact CE1-CD1 3.83Å; Y260-L293 HydrophobicContact CE1-CD2 4.11Å; Y260-L293 HydrophobicContact CE2-CD1 4.39Å; L262-L293 HydrophobicContact CD2-CD2 4.19Å; M288-L293 HydrophobicContact SD-CB 4.34Å; A289-L293 PolarHBondContact O-N 3.37Å; K290-L293 PolarHBondContact O-N 2.9Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.11Å; L293-Q296 WeakPolarHBondContact O-CB 3.46Å; L293-Q296 PolarHBondContact O-N 2.84Å; L293-L297 PolarHBondContact O-N 2.85Å
294Y94.5Very high91.3Very high42 Ų4254.7 Ų54.717%0.16531%0.305CS..Hα-helixtrans-65.9-30-173.8-62.5-21.4000113.4P159 I160 A163 K290 Q296 L297P159-Y294 HydrophobicContact CB-CD1 4.11Å; P159-Y294 HydrophobicContact CB-CD2 4.13Å; P159-Y294 HydrophobicContact CB-CG 3.81Å; P159-Y294 HydrophobicContact CG-CD2 4.18Å; P159-Y294 HydrophobicContact CG-CG 4.36Å; I160-Y294 HydrophobicContact CG1-CE2 4.45Å; A163-Y294 HydrophobicContact CB-CD1 4.26Å; A163-Y294 HydrophobicContact CB-CE1 3.84Å; K290-Y294 HydrophobicContact CB-CD2 4.1Å; K290-Y294 HydrophobicContact CB-CE2 3.68Å; K290-Y294 HydrophobicContact CD-CE2 4.12Å; K290-Y294 HydrophobicContact CG-CE2 4.17Å; K290-Y294 WeakPolarHBondContact O-CD2 3.38Å; K290-Y294 VanDerWaalsContact O-CG 3.26Å; K290-Y294 PolarHBondContact O-N 2.87Å; Y294-Q296 VanDerWaalsContact C-N 3.29Å; Y294-Q296 PolarHBondContact O-N 3.13Å; Y294-L297 HydrophobicContact CD1-CD1 4Å; Y294-L297 PolarHBondContact O-N 2.87Å
295S92.1Very high91Very high96 Ų9653.7 Ų53.767%0.67130%0.3SS*.THydrogen-bonded Turntrans-71-21.1173.252.50000113.9D291 S292 L293D291-S295 VanDerWaalsContact O-CB 3.29Å; D291-S295 WeakPolarHBondContact O-CB 3.48Å; D291-S295 PolarHBondContact O-N 3.28Å; D291-S295 PolarHBondContact O-OG 2.83Å; S292-S295 PolarHBondContact O-OG 3.18Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.11Å
296Q90.3Very high90.7Very high118 Ų11855.9 Ų55.955%0.55132%0.315SS*.THydrogen-bonded Turntrans-82.9-18.5174.9-63.9171.618.600112.3S292 L293 Y294 P298S292-Q296 WeakPolarHBondContact O-CG 3.4Å; S292-Q296 PolarHBondContact O-NE2 2.95Å; S292-Q296 VanDerWaalsContact O-NE2 3.17Å; L293-Q296 WeakPolarHBondContact O-CB 3.46Å; L293-Q296 PolarHBondContact O-N 2.84Å; Y294-Q296 VanDerWaalsContact C-N 3.29Å; Y294-Q296 PolarHBondContact O-N 3.13Å; Q296-P298 WeakPolarHBondContact O-CD 3.48Å
297L91.1Very high90.3Very high13 Ų1355.5 Ų55.57%0.06831%0.313CS..SBendtrans-76.9119.3-179.2-64.6173.9000110.1R162 A163 V166 Y167 L293 Y294R162-L297 HydrophobicContact CB-CD1 4.44Å; A163-L297 HydrophobicContact CB-CD1 3.6Å; V166-L297 HydrophobicContact CB-CD2 4.06Å; V166-L297 HydrophobicContact CG1-CD2 4.23Å; V166-L297 HydrophobicContact CG2-CD2 3.95Å; Y167-L297 HydrophobicContact CD2-CD2 4.37Å; Y167-L297 HydrophobicContact CE2-CD2 3.9Å; L293-L297 PolarHBondContact O-N 2.85Å; Y294-L297 HydrophobicContact CD1-CD1 4Å; Y294-L297 PolarHBondContact O-N 2.87Å
298P81.2Confident90Very high53 Ų5356.3 Ų56.334%0.34432%0.323SS..  trans-65.5155.9175.726.8-31.4000111.1R162 Q296 M697R162-P298 PolarHBondContact NH1-O 2.9Å; Q296-P298 WeakPolarHBondContact O-CD 3.48Å; P298-M697 HydrophobicContact CB-CB 4.21Å; P298-M697 HydrophobicContact CB-CG 3.39Å; P298-M697 HydrophobicContact CG-CB 3.58Å; P298-M697 HydrophobicContact CG-CG 3.35Å
299I80.9Confident89.4Confident128 Ų12865.1 Ų65.166%0.65636%0.355SS*.  trans-89.1106.6167-60.4168.9000106.2
300D77.5Confident88.6Confident17 Ų1770 Ų709%0.09137%0.366CS..  trans-75.1127.7177.6-68-39.1000109.6G696 M697D300-G696 VanDerWaalsContact CG-CA 3.44Å; D300-G696 VanDerWaalsContact OD1-CA 3.28Å; D300-G696 WeakPolarHBondContact OD1-CA 3.39Å; D300-M697 PolarHBondContact OD1-N 2.91Å
301T80.3Confident87.3Confident122 Ų12275.1 Ų75.175%0.74839%0.394SS*.  trans-108.8116.6173.646.20000108.9
302F91.5Very high85.9Confident36 Ų3670.2 Ų70.216%0.15837%0.37CS..  trans-92.1119.4173.8176.4-106.8000110L144 C147 K148 V151 M304 R693 A694L144-F302 HydrophobicContact CD2-CZ 4.2Å; C147-F302 HydrophobicContact CB-CE2 3.93Å; C147-F302 HydrophobicContact CB-CZ 3.74Å; K148-F302 HydrophobicContact CB-CE1 4.21Å; K148-F302 HydrophobicContact CD-CD1 4.11Å; K148-F302 HydrophobicContact CD-CE1 4.33Å; V151-F302 HydrophobicContact CB-CB 4.23Å; V151-F302 HydrophobicContact CG1-CB 3.83Å; V151-F302 HydrophobicContact CG2-CB 3.69Å; V151-F302 HydrophobicContact CG2-CD1 4.39Å; V151-F302 HydrophobicContact CG2-CD2 4.16Å; V151-F302 HydrophobicContact CG2-CG 3.83Å; F302-M304 HydrophobicContact CE1-CE 3.85Å; F302-M304 HydrophobicContact CE1-CG 4.38Å; F302-M304 HydrophobicContact CE1-SD 3.74Å; F302-M304 HydrophobicContact CZ-SD 4.1Å; F302-R693 WeakPolarHBondContact CD2-O 3.3Å; F302-R693 HydrophobicContact CE2-CB 4.47Å; F302-A694 HydrophobicContact CD2-CB 4.16Å; F302-A694 HydrophobicContact CE2-CB 4.09Å
303T91.1Very high84.4Confident89 Ų8973.2 Ų73.255%0.54639%0.386SS..  trans-109.9128.4178.7-58.40000109.9
304M92.7Very high82.5Confident74 Ų7474.7 Ų74.737%0.36540%0.398SS..  trans-64.5126.7175.1-76.1-66.2-172.500110.2L144 K148 F302L144-M304 HydrophobicContact CB-SD 4.22Å; L144-M304 HydrophobicContact CD1-SD 4.11Å; K148-M304 HydrophobicContact CB-CE 3.98Å; K148-M304 HydrophobicContact CG-CE 4.2Å; F302-M304 HydrophobicContact CE1-CE 3.85Å; F302-M304 HydrophobicContact CE1-CG 4.38Å; F302-M304 HydrophobicContact CE1-SD 3.74Å; F302-M304 HydrophobicContact CZ-SD 4.1Å
305P93.5Very high80Confident5 Ų574.8 Ų74.83%0.03240%0.403CS..  trans-71.8160.6-177.829.8-35000111.9L144 Y307 A308L144-P305 HydrophobicContact CD1-CG 3.82Å; L144-P305 HydrophobicContact CD2-CG 4.08Å; P305-Y307 VanDerWaalsContact C-N 3.25Å; P305-Y307 HydrophobicContact CB-CD1 3.83Å; P305-Y307 HydrophobicContact CB-CE1 3.5Å; P305-Y307 VanDerWaalsContact CB-CE1 3.5Å; P305-Y307 HydrophobicContact CB-CE2 4.5Å; P305-Y307 HydrophobicContact CB-CG 4.48Å; P305-Y307 HydrophobicContact CG-CD1 4.02Å; P305-Y307 HydrophobicContact CG-CD2 4.2Å; P305-Y307 HydrophobicContact CG-CE1 3.44Å; P305-Y307 VanDerWaalsContact CG-CE1 3.44Å; P305-Y307 HydrophobicContact CG-CE2 3.64Å; P305-Y307 HydrophobicContact CG-CG 4.37Å; P305-Y307 WeakPolarHBondContact CG-OH 3.46Å; P305-Y307 PolarHBondContact O-N 2.64Å; P305-A308 VanDerWaalsContact O-CB 3.24Å; P305-A308 WeakPolarHBondContact O-CB 3.43Å; P305-A308 PolarHBondContact O-N 2.88Å
306S90.7Very high77.7Confident47 Ų4774.7 Ų74.733%0.32940%0.4SS..G310 helixtrans-58.8-33.2-175.757.70000113.9E110 A308 R309E110-S306 WeakPolarHBondContact OE1-CB 3.28Å; E110-S306 PolarHBondContact OE1-N 2.81Å; E110-S306 PolarHBondContact OE1-OG 3.25Å; E110-S306 WeakPolarHBondContact OE2-CB 3.45Å; S306-A308 PolarHBondContact O-N 3.32Å; S306-R309 PolarHBondContact O-N 2.76Å
307Y90.5Very high75.5Confident5 Ų577.3 Ų77.32%0.0241%0.406CS..G310 helixtrans-68.5-17.2179.364-107.4000113.6R140 R141 L144 P305 R309 R310 R693R140-Y307 HydrophobicContact CB-CD2 4.31Å; R140-Y307 HydrophobicContact CB-CE2 3.91Å; R140-Y307 VanDerWaalsContact O-CE2 3.28Å; R140-Y307 WeakPolarHBondContact O-CE2 3.42Å; R141-Y307 HydrophobicContact CG-CD2 4.34Å; L144-Y307 HydrophobicContact CD1-CE2 3.74Å; L144-Y307 HydrophobicContact CG-CE2 4.39Å; P305-Y307 VanDerWaalsContact C-N 3.25Å; P305-Y307 HydrophobicContact CB-CD1 3.83Å; P305-Y307 HydrophobicContact CB-CE1 3.5Å; P305-Y307 VanDerWaalsContact CB-CE1 3.5Å; P305-Y307 HydrophobicContact CB-CE2 4.5Å; P305-Y307 HydrophobicContact CB-CG 4.48Å; P305-Y307 HydrophobicContact CG-CD1 4.02Å; P305-Y307 HydrophobicContact CG-CD2 4.2Å; P305-Y307 HydrophobicContact CG-CE1 3.44Å; P305-Y307 VanDerWaalsContact CG-CE1 3.44Å; P305-Y307 HydrophobicContact CG-CE2 3.64Å; P305-Y307 HydrophobicContact CG-CG 4.37Å; P305-Y307 WeakPolarHBondContact CG-OH 3.46Å; P305-Y307 PolarHBondContact O-N 2.64Å; Y307-R309 PolarHBondContact O-N 3.03Å; Y307-R310 PolarHBondContact O-N 3.44Å; Y307-R693 WeakPolarHBondContact OH-CD 3.29Å; Y307-R693 PolarHBondContact OH-NE 2.87Å
308A88.4Confident73.3Confident38 Ų3883.7 Ų83.731%0.31444%0.438SS..G310 helixtrans-65.1-24.9175.700000112.5L144 P305 S306L144-A308 HydrophobicContact CD1-CB 3.73Å; P305-A308 VanDerWaalsContact O-CB 3.24Å; P305-A308 WeakPolarHBondContact O-CB 3.43Å; P305-A308 PolarHBondContact O-N 2.88Å; S306-A308 PolarHBondContact O-N 3.32Å
309R81.6Confident71.3Confident216 Ų21688.2 Ų88.282%0.81546%0.459SS*.G310 helixtrans-100.3-4.4-178.1-59.1-178.1-173.51742.7113.7S306 Y307S306-R309 PolarHBondContact O-N 2.76Å; Y307-R309 PolarHBondContact O-N 3.03Å
310R78.7Confident69.5Low135 Ų13583.9 Ų83.951%0.50945%0.446SS..SBendtrans-75133.7179.4-68-176.7-173173.65.4109.5Y307 S312Y307-R310 PolarHBondContact O-N 3.44Å; R310-S312 PolarHBondContact O-N 3.48Å
311I66.6Low68.1Low158 Ų15893 Ų9381%0.8149%0.488SS*.PPolyproline II helixtrans-62.9127.7174.9-58.7171.6000107.9
312S63.5Low67Low25 Ų2590.8 Ų90.818%0.17547%0.474CS..PPolyproline II helixtrans-62.8137.4177.8179.10000110.1R141 R310 A314 T315R141-S312 PolarHBondContact NH2-OG 3.09Å; R141-S312 VanDerWaalsContact NH2-OG 3.14Å; R310-S312 PolarHBondContact O-N 3.48Å; S312-A314 WeakPolarHBondContact OG-CB 3.36Å; S312-A314 PolarHBondContact OG-N 2.99Å; S312-T315 WeakPolarHBondContact CB-OG1 3.46Å; S312-T315 PolarHBondContact O-OG1 2.81Å
313T61.6Low66.5Low121 Ų12192.3 Ų92.374%0.74249%0.493SS*.THydrogen-bonded Turntrans-81.3-7.7172510000112.3P316T313-P316 WeakPolarHBondContact O-CD 3.4Å
314A53.5Low66.4Low30 Ų3091.6 Ų91.625%0.24849%0.489CS..THydrogen-bonded Turntrans-77.9-10.7173.600000112.5A134 S312 P316A134-A314 HydrophobicContact CB-CB 4.17Å; S312-A314 WeakPolarHBondContact OG-CB 3.36Å; S312-A314 PolarHBondContact OG-N 2.99Å; A314-P316 WeakPolarHBondContact O-CD 3.46Å
315T43.7Very low66.4Low44 Ų4491.8 Ų91.827%0.2749%0.488SS..G310 helixtrans-74-1.3-175.3-22.50000117.6S312 Y317 M318 N319S312-T315 WeakPolarHBondContact CB-OG1 3.46Å; S312-T315 PolarHBondContact O-OG1 2.81Å; T315-Y317 PolarHBondContact O-N 3.11Å; T315-M318 HydrophobicContact CG2-CB 4.01Å; T315-M318 PolarHBondContact O-N 3.4Å; T315-N319 PolarHBondContact O-N 2.93Å
316P43Very low66.5Low94 Ų9493.5 Ų93.561%0.6150%0.5SS*.G310 helixtrans-60.5-29.3167.9-21.632.1000112.7T313 A314T313-P316 WeakPolarHBondContact O-CD 3.4Å; A314-P316 WeakPolarHBondContact O-CD 3.46Å
317Y44.7Very low66.8Low174 Ų17491.2 Ų91.268%0.68248%0.484SS*.G310 helixtrans-87.7-13-178.2-76-79.7000114.9T315T315-Y317 PolarHBondContact O-N 3.11Å
318M44.2Very low67.1Low147 Ų14793 Ų9372%0.72449%0.491SS*.THydrogen-bonded Turntrans-96.5-19.9178.6-76.4-77.3172.400112.6T315T315-M318 HydrophobicContact CG2-CB 4.01Å; T315-M318 PolarHBondContact O-N 3.4Å
319N38.3Very low67.5Low147 Ų14795.6 Ų95.679%0.78650%0.503SS*.SBendtrans-1109.4-179.1-79.4-6.6000114.2T315T315-N319 PolarHBondContact O-N 2.93Å
320G43.4Very low68.1Low37 Ų3786.1 Ų86.138%0.38147%0.468SS..SBendtrans-137.3117.1171.600000109.8T322G320-T322 PolarHBondContact O-N 3.43Å
321E48.1Very low68.9Low210 Ų21086.4 Ų86.498%0.98148%0.48SS*.  trans-60.774.9174.3-67.2176.4150.200111.4A323E321-A323 PolarHBondContact O-N 3.13Å
322T57.6Low70.2Confident74 Ų7480.1 Ų80.145%0.45445%0.454SS..  trans-76.6112.2157.650.90000107G320 T324G320-T322 PolarHBondContact O-N 3.43Å; T322-T324 PolarHBondContact O-N 3.05Å
323A80.9Confident71.8Confident68 Ų6882.4 Ų82.456%0.56247%0.467SS*.  trans-53.6110.1177.600000110.5E321 N482E321-A323 PolarHBondContact O-N 3.13Å; A323-N482 WeakPolarHBondContact O-CB 3.33Å; A323-N482 PolarHBondContact O-ND2 3.27Å
324T89Confident73.5Confident75 Ų7577.2 Ų77.246%0.4644%0.435SS..PPolyproline II helixtrans-82.4151.5175.554.60000110.9T322 P483 K485T322-T324 PolarHBondContact O-N 3.05Å; T324-P483 WeakPolarHBondContact CA-O 3.47Å; T324-P483 HydrophobicContact CG2-CB 4.42Å; T324-K485 HydrophobicContact CG2-CD 4.31Å; T324-K485 HydrophobicContact CG2-CG 4.49Å
325K93.3Very high75.6Confident77 Ų7780.3 Ų80.334%0.33544%0.44SS..EExtended strand (participates in β ladder)trans-102.9144.1171.7-75.7179.7173.11780110.5I330 S481 N482 P483 V484 K485K325-I330 HydrophobicContact CD-CD1 4.32Å; K325-S481 PolarHBondContact NZ-OG 3.34Å; K325-N482 HydrophobicContact CD-CB 4.32Å; K325-N482 HydrophobicContact CG-CB 4.12Å; K325-P483 PolarHBondContact N-O 2.75Å; K325-V484 CarbonylContact O-C 3.55Å; K325-V484 VanDerWaalsContact O-CA 3.31Å; K325-V484 WeakPolarHBondContact O-CA 3.5Å; K325-K485 PolarHBondContact O-N 2.87Å
326S95.6Very high78.2Confident41 Ų4178.2 Ų78.229%0.28743%0.427SS..EExtended strand (participates in β ladder)trans-74.5139.7169.1169.20000110W328 T329S326-W328 PolarHBondContact O-N 3.35Å; S326-W328 VanDerWaalsContact O-N 3.15Å; S326-W328 PolarHBondContact OG-N 3.25Å; S326-T329 PolarHBondContact O-N 3.12Å; S326-T329 PolarHBondContact O-OG1 2.82Å
327L97.4Very high80.9Confident0 Ų077.1 Ų77.10%041%0.411CS..G310 helixtrans-47.6-40.7173.7-176.275.7000111.9T329 I330 I393 F430 L436 V484 K485 F486L327-T329 PolarHBondContact O-N 3.32Å; L327-T329 VanDerWaalsContact O-N 3.14Å; L327-I330 WeakPolarHBondContact O-CB 3.12Å; L327-I330 PolarHBondContact O-N 3.29Å; L327-I330 VanDerWaalsContact O-N 3.12Å; L327-I393 HydrophobicContact CD1-CG2 3.47Å; L327-I393 VanDerWaalsContact CD1-CG2 3.47Å; L327-I393 HydrophobicContact CG-CG2 4.23Å; L327-F430 HydrophobicContact CD1-CE1 4.09Å; L327-F430 HydrophobicContact CD1-CZ 3.98Å; L327-F430 HydrophobicContact CD2-CE1 4.19Å; L327-F430 HydrophobicContact CD2-CZ 3.65Å; L327-F430 HydrophobicContact CG-CZ 4.42Å; L327-L436 HydrophobicContact CD1-CD1 4.35Å; L327-L436 HydrophobicContact CD1-CD2 4.04Å; L327-V484 VanDerWaalsContact CA-CG1 3.49Å; L327-V484 HydrophobicContact CB-CG1 4.08Å; L327-V484 HydrophobicContact CD1-CG1 3.94Å; L327-K485 PolarHBondContact N-O 3.3Å; L327-F486 HydrophobicContact CD2-CD2 4.01Å; L327-F486 HydrophobicContact CD2-CE2 4.3Å
328W96.7Very high83.5Confident41 Ų4168.9 Ų68.916%0.15538%0.378CS..G310 helixtrans-69.8-9.5-176.4-73.2-3000115.2S326 P394 P487 I492 H495 R577 A581S326-W328 PolarHBondContact O-N 3.35Å; S326-W328 VanDerWaalsContact O-N 3.15Å; S326-W328 PolarHBondContact OG-N 3.25Å; W328-P394 PolarHBondContact NE1-O 3.23Å; W328-P487 HydrophobicContact CD2-CB 4.19Å; W328-P487 HydrophobicContact CD2-CG 3.83Å; W328-P487 HydrophobicContact CE3-CB 4.14Å; W328-P487 HydrophobicContact CE3-CG 4.2Å; W328-P487 HydrophobicContact CG-CG 4.34Å; W328-P487 HydrophobicContact CH2-CG 4.24Å; W328-P487 HydrophobicContact CZ2-CG 3.85Å; W328-P487 HydrophobicContact CZ3-CB 4.35Å; W328-P487 HydrophobicContact CZ3-CG 4.37Å; W328-I492 HydrophobicContact CH2-CB 4.11Å; W328-I492 HydrophobicContact CH2-CG1 3.73Å; W328-I492 HydrophobicContact CH2-CG2 4.33Å; W328-I492 HydrophobicContact CZ2-CG1 4.21Å; W328-I492 HydrophobicContact CZ3-CG1 4.32Å; W328-H495 HydrophobicContact CE3-CB 4.37Å; W328-H495 HydrophobicContact CH2-CB 3.78Å; W328-H495 AromaticContact CH2-CD2 3.81Å; W328-H495 AromaticContact CH2-CG 3.9Å; W328-H495 HydrophobicContact CZ3-CB 3.42Å; W328-H495 VanDerWaalsContact CZ3-CB 3.42Å; W328-H495 AromaticContact CZ3-CG 3.71Å; W328-R577 HydrophobicContact CZ2-CB 4.07Å; W328-R577 HydrophobicContact CZ2-CG 4.5Å; W328-A581 HydrophobicContact CH2-CB 4.41Å
329T95.7Very high86Confident93 Ų9362.5 Ų62.557%0.57135%0.347SS*.G310 helixtrans-92.1-11.5175.567.50000113.1S326 L327 N331S326-T329 PolarHBondContact O-N 3.12Å; S326-T329 PolarHBondContact O-OG1 2.82Å; L327-T329 PolarHBondContact O-N 3.32Å; L327-T329 VanDerWaalsContact O-N 3.14Å; T329-N331 PolarHBondContact O-N 3.46Å
330I95.8Very high88.9Confident17 Ų1756 Ų569%0.08731%0.313CS..  trans-81.1114.1-178.4-54.8-56.2000109.1K325 L327 G332 I393 P394 F480 V484K325-I330 HydrophobicContact CD-CD1 4.32Å; L327-I330 WeakPolarHBondContact O-CB 3.12Å; L327-I330 PolarHBondContact O-N 3.29Å; L327-I330 VanDerWaalsContact O-N 3.12Å; I330-G332 PolarHBondContact O-N 2.86Å; I330-I393 HydrophobicContact CB-CB 4.47Å; I330-I393 HydrophobicContact CB-CG2 3.86Å; I330-I393 HydrophobicContact CG1-CG2 4.46Å; I330-I393 HydrophobicContact CG2-CB 4.21Å; I330-I393 HydrophobicContact CG2-CD1 3.72Å; I330-I393 HydrophobicContact CG2-CG2 3.89Å; I330-P394 WeakPolarHBondContact O-CD 3.47Å; I330-P394 WeakPolarHBondContact O-CG 3.36Å; I330-F480 HydrophobicContact CD1-CD1 4.13Å; I330-F480 HydrophobicContact CG2-CD1 4.13Å; I330-F480 HydrophobicContact CG2-CE1 3.51Å; I330-F480 HydrophobicContact CG2-CZ 4.05Å; I330-V484 HydrophobicContact CD1-CG2 3.89Å; I330-V484 HydrophobicContact CG1-CG1 3.98Å; I330-V484 HydrophobicContact CG1-CG2 4.04Å
331N94.7Very high91.5Very high142 Ų14254.5 Ų54.576%0.75930%0.297SS*.  trans-94.694.8175.2-172.68.9000110T329 Y392T329-N331 PolarHBondContact O-N 3.46Å; N331-Y392 PolarHBondContact OD1-OH 3.4Å
332G94.4Very high93.8Very high25 Ų2548.5 Ų48.526%0.25828%0.275SS..SBendtrans-178.4162.2176.800000112.7I330 Y392 I393I330-G332 PolarHBondContact O-N 2.86Å; G332-Y392 WeakPolarHBondContact O-CD2 3.47Å; G332-I393 WeakPolarHBondContact O-CB 3.35Å; G332-I393 WeakPolarHBondContact O-CG1 3.49Å; G332-I393 PolarHBondContact O-N 2.91Å
333T96.4Very high95.6Very high73 Ų7348.8 Ų48.845%0.44827%0.268SS..EExtended strand (participates in β ladder)trans-87.1152.5171.352.60000110.7R335 M391T333-R335 PolarHBondContact O-N 3.38Å; T333-M391 CarbonylContact C-O 3.58Å; T333-M391 WeakPolarHBondContact CA-O 3.26Å
334L97.9Very high96.2Very high13 Ų1346.6 Ų46.67%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-67131.2176.7179.865.9000109.9I336 I360 Y389 M391 I396 L429L334-I336 HydrophobicContact CD1-CG1 4.4Å; L334-I336 HydrophobicContact CD2-CD1 4.42Å; L334-I360 HydrophobicContact CD2-CD1 3.62Å; L334-I360 HydrophobicContact CD2-CG1 3.8Å; L334-Y389 HydrophobicContact CB-CD2 4.49Å; L334-Y389 HydrophobicContact CD2-CD2 4.15Å; L334-Y389 HydrophobicContact CD2-CG 4.39Å; L334-Y389 HydrophobicContact CG-CD2 3.99Å; L334-Y389 PolarHBondContact O-N 3.05Å; L334-M391 HydrophobicContact CB-CB 4.34Å; L334-M391 PolarHBondContact N-O 3.16Å; L334-I396 HydrophobicContact CB-CD1 4.41Å; L334-I396 HydrophobicContact CD1-CD1 4.21Å; L334-I396 HydrophobicContact CD2-CD1 4.29Å; L334-L429 HydrophobicContact CD2-CD1 4.23Å
335R97.5Very high96.3Very high95 Ų9549.6 Ų49.636%0.35826%0.261SS..EExtended strand (participates in β ladder)trans-138.9141.9170.160.8177.4-176.8168.68.4110.6T333 W386 L387 D478T333-R335 PolarHBondContact O-N 3.38Å; R335-W386 HydrophobicContact CB-CE3 3.91Å; R335-W386 HydrophobicContact CB-CZ3 4.32Å; R335-W386 HydrophobicContact CG-CE3 3.71Å; R335-W386 HydrophobicContact CG-CZ3 3.75Å; R335-L387 CarbonylContact C-O 3.23Å; R335-L387 WeakPolarHBondContact CA-O 3.48Å; R335-L387 WeakPolarHBondContact CB-O 3.38Å; R335-D478 IonicContact CZ-OD1 3.85Å; R335-D478 IonicContact CZ-OD2 3.91Å; R335-D478 IonicContact NE-OD1 2.75Å; R335-D478 IonicContact NE-OD2 3.94Å; R335-D478 PolarHBondContact NE-OD2 3.06Å; R335-D478 IonicContact NH2-OD1 3.4Å; R335-D478 PolarHBondContact NH2-OD1 3.43Å; R335-D478 IonicContact NH2-OD2 3.99Å; R335-D478 PolarHBondContact NH2-OD2 3.08Å; R335-D478 VanDerWaalsContact NH2-OD2 3.16Å
336I98.6Very high96.2Very high0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-134.5133.2-179.8-60.5158.6000107.7L334 I338 I360 L387 Y389 L402 L475 F477L334-I336 HydrophobicContact CD1-CG1 4.4Å; L334-I336 HydrophobicContact CD2-CD1 4.42Å; I336-I338 HydrophobicContact CG2-CD1 4.45Å; I336-I360 HydrophobicContact CD1-CD1 4.27Å; I336-L387 PolarHBondContact N-O 3.18Å; I336-L387 PolarHBondContact O-N 3.44Å; I336-Y389 HydrophobicContact CB-CE2 3.94Å; I336-Y389 HydrophobicContact CD1-CD2 4.43Å; I336-Y389 HydrophobicContact CD1-CE2 3.67Å; I336-Y389 HydrophobicContact CG1-CE2 3.95Å; I336-L402 HydrophobicContact CD1-CD1 3.84Å; I336-L402 HydrophobicContact CD1-CD2 3.81Å; I336-L402 HydrophobicContact CD1-CG 4.29Å; I336-L402 HydrophobicContact CG2-CD2 4.39Å; I336-L475 HydrophobicContact CG2-CD2 4.25Å; I336-F477 HydrophobicContact CD1-CD1 4.34Å; I336-F477 HydrophobicContact CD1-CE1 3.95Å; I336-F477 HydrophobicContact CG1-CD1 3.9Å; I336-F477 HydrophobicContact CG1-CE1 3.98Å; I336-F477 HydrophobicContact CG2-CD1 4.4Å; I336-F477 HydrophobicContact CG2-CE1 4.32Å
337R98.6Very high96Very high71 Ų7149.3 Ų49.327%0.26826%0.261SS..EExtended strand (participates in β ladder)trans-95127179.6-160.7-174.3-173.8179.61.9111.1L339 N384 E385 W386 L475 E476R337-L339 HydrophobicContact CG-CD2 4.14Å; R337-N384 PolarHBondContact NE-O 2.98Å; R337-E385 CarbonylContact C-O 3.59Å; R337-E385 VanDerWaalsContact CA-O 3.26Å; R337-E385 WeakPolarHBondContact CA-O 3.39Å; R337-E385 WeakPolarHBondContact CG-O 3.43Å; R337-W386 HydrophobicContact CB-CD2 3.64Å; R337-W386 HydrophobicContact CB-CE3 3.73Å; R337-W386 HydrophobicContact CB-CG 4.19Å; R337-W386 HydrophobicContact CB-CH2 4.06Å; R337-W386 HydrophobicContact CB-CZ2 3.98Å; R337-W386 HydrophobicContact CB-CZ3 3.94Å; R337-W386 HydrophobicContact CG-CD2 3.93Å; R337-W386 HydrophobicContact CG-CG 4.01Å; R337-W386 HydrophobicContact CG-CZ2 4.46Å; R337-L475 CarbonylContact O-C 3.59Å; R337-L475 WeakPolarHBondContact O-CA 3.2Å; R337-E476 HydrophobicContact CB-CB 4.02Å; R337-E476 WeakPolarHBondContact CB-O 3.46Å; R337-E476 WeakPolarHBondContact CD-OE2 3.5Å; R337-E476 IonicContact CZ-OE2 2.91Å; R337-E476 PolarHBondContact N-O 3.14Å; R337-E476 IonicContact NE-OE2 3.65Å; R337-E476 IonicContact NH1-OE2 2.84Å; R337-E476 PolarHBondContact NH1-OE2 3.24Å; R337-E476 PolarHBondContact O-N 2.92Å
338I98.7Very high95.5Very high0 Ų054.7 Ų54.70%029%0.289CS..EExtended strand (participates in β ladder)trans-94.8115.4171.7-49.5-51.8000108.4I336 V356 T358 T373 W383 N384 E385 L387 L473 L475I336-I338 HydrophobicContact CG2-CD1 4.45Å; I338-V356 HydrophobicContact CG2-CB 4.14Å; I338-V356 HydrophobicContact CG2-CG1 4.38Å; I338-V356 HydrophobicContact CG2-CG2 3.81Å; I338-T358 HydrophobicContact CD1-CG2 4.19Å; I338-T373 HydrophobicContact CB-CG2 3.75Å; I338-T373 HydrophobicContact CG1-CG2 3.61Å; I338-T373 HydrophobicContact CG2-CG2 4Å; I338-W383 HydrophobicContact CG2-CB 4.48Å; I338-W383 HydrophobicContact CG2-CD2 4.29Å; I338-W383 HydrophobicContact CG2-CE3 3.85Å; I338-N384 CarbonylContact O-C 3.6Å; I338-N384 VanDerWaalsContact O-CA 3.24Å; I338-N384 WeakPolarHBondContact O-CA 3.44Å; I338-N384 PolarHBondContact O-N 3.46Å; I338-E385 PolarHBondContact N-O 3.4Å; I338-E385 PolarHBondContact O-N 3.39Å; I338-L387 HydrophobicContact CD1-CD1 4.23Å; I338-L387 HydrophobicContact CG1-CD1 3.66Å; I338-L387 HydrophobicContact CG1-CG 4.03Å; I338-L473 HydrophobicContact CG2-CD1 4.07Å; I338-L475 HydrophobicContact CD1-CD2 3.45Å; I338-L475 VanDerWaalsContact CD1-CD2 3.45Å
339L98.5Very high95Very high13 Ų1363.6 Ų63.67%0.06832%0.322CS..EExtended strand (participates in β ladder)trans-87.8-73.8-175.3-60.8174000110.7R337 W383 N384 E474 E476R337-L339 HydrophobicContact CG-CD2 4.14Å; L339-W383 PolarHBondContact O-N 2.83Å; L339-N384 PolarHBondContact O-N 3.26Å; L339-E474 HydrophobicContact CB-CB 4.06Å; L339-E474 WeakPolarHBondContact CB-O 3.41Å; L339-E474 HydrophobicContact CD1-CB 4.15Å; L339-E474 PolarHBondContact N-O 2.97Å; L339-E476 HydrophobicContact CD1-CB 4.21Å; L339-E476 HydrophobicContact CG-CB 4.45Å
340C98.2Very high94.5Very high11 Ų1162.9 Ų62.97%0.07432%0.315CS..EExtended strand (participates in β ladder)trans-160.5160.4-17857.60000111.9P381 R382 E474C340-P381 CarbonylContact C-O 3.56Å; C340-P381 VanDerWaalsContact CA-O 3.32Å; C340-P381 WeakPolarHBondContact CA-O 3.29Å; C340-P381 WeakPolarHBondContact CB-O 3.47Å; C340-R382 HydrophobicContact CB-CB 4.24Å; C340-R382 HydrophobicContact CB-CG 3.72Å; C340-E474 PolarHBondContact O-N 3.34Å
341A98Very high94.2Very high6 Ų663.4 Ų63.45%0.0532%0.317CS..EExtended strand (participates in β ladder)trans-103.6148.3162.800000110P381 W383 I406 C472 L473A341-P381 HydrophobicContact CB-CB 4.06Å; A341-P381 HydrophobicContact CB-CG 4.36Å; A341-P381 PolarHBondContact N-O 2.97Å; A341-P381 WeakPolarHBondContact O-CG 3.33Å; A341-W383 HydrophobicContact CB-CH2 4.4Å; A341-W383 HydrophobicContact CB-CZ3 4.13Å; A341-I406 HydrophobicContact CB-CD1 3.72Å; A341-C472 CarbonylContact C-O 3.56Å; A341-C472 VanDerWaalsContact CA-O 3.23Å; A341-C472 WeakPolarHBondContact CA-O 3.44Å; A341-L473 HydrophobicContact CB-CD1 4.11Å
342T96.4Very high93.9Very high84 Ų8461.3 Ų61.352%0.51531%0.306SS..SBendtrans-65.7-45.9179.1490000112.2C472T342-C472 HydrophobicContact CG2-CB 3.79Å; T342-C472 PolarHBondContact N-O 3.47Å; T342-C472 PolarHBondContact OG1-N 3.1Å
343Y95.1Very high94Very high80 Ų8064 Ų6431%0.31431%0.311SS..  trans-160.6169175.270.4-80.1000111.1E469 T470 P471Y343-E469 VanDerWaalsContact OH-C 3.24Å; Y343-E469 PolarHBondContact OH-O 2.68Å; Y343-T470 WeakPolarHBondContact CE1-O 3.43Å; Y343-T470 VanDerWaalsContact OH-C 3.24Å; Y343-T470 WeakPolarHBondContact OH-CA 3.05Å; Y343-T470 PolarHBondContact OH-N 2.94Å; Y343-P471 HydrophobicContact CE2-CG 4.15Å; Y343-P471 WeakPolarHBondContact O-CB 3.46Å
344V93.4Very high94.1Very high21 Ų2160.5 Ų60.513%0.12729%0.29CS..  trans-139.7145.2168.2-71.30000109.7V346 I354 I406V344-V346 HydrophobicContact CG2-CG2 3.87Å; V344-V346 PolarHBondContact O-N 3.31Å; V344-I354 HydrophobicContact CG1-CD1 4.43Å; V344-I354 HydrophobicContact CG2-CD1 3.91Å; V344-I406 HydrophobicContact CG1-CD1 3.99Å; V344-I406 HydrophobicContact CG1-CG2 4.02Å
345N92.5Very high94.1Very high139 Ų13960.2 Ų60.274%0.74329%0.287SS*.  trans-95.389.1178.6-70.5-22.9000110.2
346V91.4Very high94.1Very high30 Ų3055.7 Ų55.718%0.18227%0.27CS..  trans-134.9145.5-178.4-67.50000111.6V344 I348 I351 C378 L422V344-V346 HydrophobicContact CG2-CG2 3.87Å; V344-V346 PolarHBondContact O-N 3.31Å; V346-I348 PolarHBondContact O-N 3.34Å; V346-I351 HydrophobicContact CB-CD1 3.67Å; V346-I351 HydrophobicContact CG1-CD1 3.66Å; V346-C378 HydrophobicContact CG2-CB 3.63Å; V346-L422 HydrophobicContact CG1-CD1 3.47Å; V346-L422 VanDerWaalsContact CG1-CD1 3.47Å; V346-L422 HydrophobicContact CG1-CD2 3.83Å; V346-L422 HydrophobicContact CG1-CG 4.3Å
347N90.3Very high94.1Very high82 Ų8258.3 Ų58.344%0.43928%0.28SS..  trans-80.4108.6169-173.7-0.4000109.5R349 D350 I351N347-R349 PolarHBondContact O-N 3.32Å; N347-R349 PolarHBondContact OD1-N 3.26Å; N347-R349 VanDerWaalsContact OD1-N 3.17Å; N347-D350 HydrophobicContact CB-CB 4.24Å; N347-D350 PolarHBondContact ND2-OD2 3.09Å; N347-D350 PolarHBondContact O-N 3.41Å; N347-I351 PolarHBondContact O-N 3.42Å; N347-I351 VanDerWaalsContact O-N 3.17Å
348I87.7Confident94.2Very high112 Ų11254.9 Ų54.957%0.57427%0.267SS*.THydrogen-bonded Turntrans-60.4-20.4-177.8-57.7170.8000112.1V346 C378V346-I348 PolarHBondContact O-N 3.34Å; I348-C378 HydrophobicContact CG1-CB 4.15Å
349R85.3Confident94.1Very high229 Ų22954.9 Ų54.986%0.86427%0.267SS*.THydrogen-bonded Turntrans-76.3-25.1174.8-62.5-176-179.8-176.20.4113.5N347N347-R349 PolarHBondContact O-N 3.32Å; N347-R349 PolarHBondContact OD1-N 3.26Å; N347-R349 VanDerWaalsContact OD1-N 3.17Å
350D85.1Confident94.1Very high77 Ų7754.3 Ų54.341%0.41226%0.264SS..THydrogen-bonded Turntrans-103.7-18.8-173-64.3-35000113.2N347 K410N347-D350 HydrophobicContact CB-CB 4.24Å; N347-D350 PolarHBondContact ND2-OD2 3.09Å; N347-D350 PolarHBondContact O-N 3.41Å; D350-K410 WeakPolarHBondContact O-CD 3.37Å; D350-K410 VanDerWaalsContact O-CE 3.23Å; D350-K410 WeakPolarHBondContact O-CE 3.38Å; D350-K410 VanDerWaalsContact O-CG 3.27Å; D350-K410 WeakPolarHBondContact O-CG 3.42Å
351I89.7Confident94.2Very high28 Ų2854.9 Ų54.914%0.14427%0.265CS..  trans-125.2125-172.9-66.1166.4000109.3V346 N347 I354V346-I351 HydrophobicContact CB-CD1 3.67Å; V346-I351 HydrophobicContact CG1-CD1 3.66Å; N347-I351 PolarHBondContact O-N 3.42Å; N347-I351 VanDerWaalsContact O-N 3.17Å; I351-I354 HydrophobicContact CG2-CG2 4.48Å
352D89.1Confident94.1Very high98 Ų9854.8 Ų54.852%0.52426%0.264SS..  trans-78.5-49.2-173.6-60.6-46.3000112.1V409 G411D352-V409 PolarHBondContact N-O 2.96Å; D352-V409 VanDerWaalsContact N-O 3.07Å; D352-G411 PolarHBondContact OD2-N 2.91Å
353K95.4Very high93.9Very high82 Ų8250.9 Ų50.936%0.35724%0.24SC..EExtended strand (participates in β ladder)trans-147.8162.7-174-63.4-67.9176.5176.70111.3R375 V376 V409K353-R375 HydrophobicContact CB-CB 3.99Å; K353-R375 HydrophobicContact CG-CB 4.25Å; K353-V376 WeakPolarHBondContact CA-O 3.47Å; K353-V376 WeakPolarHBondContact CD-O 3.45Å; K353-V409 PolarHBondContact O-N 3.45Å
354I97.8Very high93.6Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-127.4157.9171.554.2166.8000110.6V344 I351 R375 V376 P381 W383 I406 C407 L422V344-I354 HydrophobicContact CG1-CD1 4.43Å; V344-I354 HydrophobicContact CG2-CD1 3.91Å; I351-I354 HydrophobicContact CG2-CG2 4.48Å; I354-R375 CarbonylContact O-C 3.56Å; I354-R375 WeakPolarHBondContact O-CA 3.39Å; I354-V376 HydrophobicContact CD1-CG2 4.25Å; I354-V376 HydrophobicContact CG1-CG2 3.85Å; I354-V376 PolarHBondContact N-O 2.98Å; I354-V376 PolarHBondContact O-N 3.32Å; I354-P381 HydrophobicContact CD1-CB 3.69Å; I354-W383 HydrophobicContact CD1-CZ2 4.4Å; I354-I406 HydrophobicContact CB-CG2 4.49Å; I354-C407 CarbonylContact C-O 3.56Å; I354-C407 WeakPolarHBondContact CA-O 3.41Å; I354-C407 WeakPolarHBondContact CB-O 3.3Å; I354-L422 HydrophobicContact CG2-CD1 3.94Å
355Y98.6Very high93.5Very high6 Ų651.4 Ų51.42%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-153163.3174.965.7-78000109.9R357 N372 C407 V409 H419Y355-R357 HydrophobicContact CD2-CB 4.48Å; Y355-R357 HydrophobicContact CE2-CB 3.96Å; Y355-N372 HydrophobicContact CD2-CB 3.9Å; Y355-N372 HydrophobicContact CE2-CB 4.14Å; Y355-C407 HydrophobicContact CD1-CB 4.05Å; Y355-C407 HydrophobicContact CD2-CB 4.49Å; Y355-C407 HydrophobicContact CE1-CB 3.46Å; Y355-C407 VanDerWaalsContact CE1-CB 3.46Å; Y355-C407 HydrophobicContact CE2-CB 3.99Å; Y355-C407 VanDerWaalsContact CZ-CB 3.43Å; Y355-C407 PolarHBondContact N-O 3.11Å; Y355-C407 PolarHBondContact O-N 3.08Å; Y355-V409 HydrophobicContact CD1-CG2 3.73Å; Y355-V409 HydrophobicContact CE1-CG2 3.45Å; Y355-V409 VanDerWaalsContact CE1-CG2 3.45Å; Y355-H419 AromaticContact CE1-ND1 3.68Å; Y355-H419 AromaticContact CZ-ND1 3.7Å; Y355-H419 PolarHBondContact OH-ND1 3.21Å
356V98.7Very high93.7Very high0 Ų048.5 Ų48.50%024%0.236CC..EExtended strand (participates in β ladder)trans-97.5123.4170.9-175.40000108.6I338 T358 N372 T373 W383 S405 I406 L473I338-V356 HydrophobicContact CG2-CB 4.14Å; I338-V356 HydrophobicContact CG2-CG1 4.38Å; I338-V356 HydrophobicContact CG2-CG2 3.81Å; V356-T358 HydrophobicContact CG1-CG2 3.92Å; V356-N372 WeakPolarHBondContact O-CA 3.39Å; V356-T373 HydrophobicContact CB-CG2 3.85Å; V356-T373 HydrophobicContact CG2-CG2 4.48Å; V356-T373 PolarHBondContact N-OG1 3.41Å; V356-T373 PolarHBondContact O-N 3.36Å; V356-T373 PolarHBondContact O-OG1 3.02Å; V356-W383 HydrophobicContact CG2-CD2 4.12Å; V356-W383 HydrophobicContact CG2-CE3 3.94Å; V356-W383 HydrophobicContact CG2-CH2 3.5Å; V356-W383 VanDerWaalsContact CG2-CH2 3.5Å; V356-W383 HydrophobicContact CG2-CZ2 3.68Å; V356-W383 HydrophobicContact CG2-CZ3 3.63Å; V356-S405 CarbonylContact C-O 3.56Å; V356-S405 VanDerWaalsContact CA-O 3.32Å; V356-S405 WeakPolarHBondContact CA-O 3.39Å; V356-I406 HydrophobicContact CG2-CG1 4.37Å; V356-L473 HydrophobicContact CG1-CD2 4.08Å; V356-L473 HydrophobicContact CG2-CD1 4.07Å
357R98.7Very high94Very high55 Ų5547.4 Ų47.421%0.20823%0.229CC..EExtended strand (participates in β ladder)trans-94.3138.3169.3-180165.3-172.184-10.2108.8Y355 N370 N372 L404 S405 L456Y355-R357 HydrophobicContact CD2-CB 4.48Å; Y355-R357 HydrophobicContact CE2-CB 3.96Å; R357-N370 PolarHBondContact NE-OD1 2.86Å; R357-N370 VanDerWaalsContact NE-OD1 3.1Å; R357-N370 VanDerWaalsContact NH2-CB 3.32Å; R357-N370 PolarHBondContact NH2-OD1 3.22Å; R357-N372 VanDerWaalsContact CG-OD1 3.28Å; R357-N372 WeakPolarHBondContact CG-OD1 3.46Å; R357-N372 PolarHBondContact NH1-ND2 2.64Å; R357-N372 PolarHBondContact NH1-OD1 3.45Å; R357-L404 CarbonylContact O-C 3.52Å; R357-L404 VanDerWaalsContact O-CA 3.23Å; R357-L404 WeakPolarHBondContact O-CA 3.42Å; R357-L404 WeakPolarHBondContact O-CB 3.33Å; R357-S405 PolarHBondContact N-O 3.12Å; R357-S405 PolarHBondContact O-N 3.03Å; R357-L456 HydrophobicContact CB-CD2 4.34Å; R357-L456 HydrophobicContact CG-CD1 4.16Å; R357-L456 HydrophobicContact CG-CD2 4.05Å; R357-L456 HydrophobicContact CG-CG 4.02Å
358T98.7Very high94.3Very high0 Ų044.2 Ų44.20%021%0.212CC..EExtended strand (participates in β ladder)trans-137.715417969.10000111.2I338 V356 N370 V371 L387 Y389 C403 L404I338-T358 HydrophobicContact CD1-CG2 4.19Å; V356-T358 HydrophobicContact CG1-CG2 3.92Å; T358-N370 CarbonylContact O-C 3.5Å; T358-N370 VanDerWaalsContact O-CA 3.28Å; T358-N370 WeakPolarHBondContact O-CA 3.49Å; T358-N370 WeakPolarHBondContact O-CB 3.14Å; T358-V371 PolarHBondContact N-O 2.86Å; T358-V371 PolarHBondContact O-N 3.17Å; T358-V371 PolarHBondContact OG1-O 3.22Å; T358-L387 HydrophobicContact CG2-CD1 3.76Å; T358-L387 WeakPolarHBondContact OG1-CD1 3.44Å; T358-Y389 VanDerWaalsContact CB-OH 3.24Å; T358-Y389 WeakPolarHBondContact CB-OH 3.26Å; T358-Y389 WeakPolarHBondContact OG1-CE1 3.41Å; T358-Y389 PolarHBondContact OG1-OH 3.32Å; T358-C403 CarbonylContact C-O 3.21Å; T358-C403 WeakPolarHBondContact CA-O 3.15Å; T358-L404 HydrophobicContact CG2-CB 3.95Å
359G98.4Very high94.8Very high0 Ų045.3 Ų45.30%022%0.22CC..EExtended strand (participates in β ladder)trans-157.8157.2169.400000111.2C403G359-C403 PolarHBondContact N-O 3.34Å; G359-C403 PolarHBondContact O-N 3.31Å
360I98.6Very high95.4Very high0 Ų035.9 Ų35.90%019%0.186CC..EExtended strand (participates in β ladder)trans-102125.4176.4-48.9-57.2000108.2L334 I336 L367 Y389 R401 L402 L429L334-I360 HydrophobicContact CD2-CD1 3.62Å; L334-I360 HydrophobicContact CD2-CG1 3.8Å; I336-I360 HydrophobicContact CD1-CD1 4.27Å; I360-L367 HydrophobicContact CG2-CB 4.46Å; I360-L367 HydrophobicContact CG2-CD1 4.03Å; I360-L367 PolarHBondContact O-N 3.45Å; I360-Y389 HydrophobicContact CD1-CD1 4.17Å; I360-Y389 HydrophobicContact CD1-CE1 4.13Å; I360-Y389 HydrophobicContact CD1-CG 4.42Å; I360-Y389 HydrophobicContact CG1-CD1 3.79Å; I360-Y389 HydrophobicContact CG1-CE1 4.19Å; I360-Y389 HydrophobicContact CG1-CG 4.09Å; I360-R401 WeakPolarHBondContact CA-O 3.39Å; I360-L402 HydrophobicContact CD1-CB 4.48Å; I360-L402 HydrophobicContact CD1-CD1 3.87Å; I360-L429 HydrophobicContact CG2-CD1 4.08Å
361Y98.4Very high96Very high23 Ų2333.7 Ų33.79%0.0918%0.176CC..EExtended strand (participates in β ladder)trans-126.3148.4-171.9-75.2-98.8000112.4E365 Q366 N370 A400 R401 C403 L456 A458Y361-E365 CarbonylContact C-O 3.54Å; Y361-E365 VanDerWaalsContact CA-O 3.22Å; Y361-E365 WeakPolarHBondContact CA-O 3.22Å; Y361-E365 WeakPolarHBondContact CD1-O 3.49Å; Y361-Q366 HydrophobicContact CD1-CB 4.28Å; Y361-Q366 HydrophobicContact CE1-CB 3.83Å; Y361-N370 PolarHBondContact OH-ND2 3.37Å; Y361-A400 WeakPolarHBondContact O-CA 3.47Å; Y361-R401 PolarHBondContact N-O 3.13Å; Y361-R401 PolarHBondContact O-N 2.84Å; Y361-C403 HydrophobicContact CD2-CB 3.62Å; Y361-C403 VanDerWaalsContact CD2-SG 3.59Å; Y361-C403 HydrophobicContact CE2-CB 3.96Å; Y361-C403 HydrophobicContact CG-CB 4.47Å; Y361-L456 HydrophobicContact CE2-CD1 3.79Å; Y361-A458 HydrophobicContact CD1-CB 3.7Å; Y361-A458 HydrophobicContact CE1-CB 3.97Å; Y361-A458 HydrophobicContact CG-CB 4.04Å
362H97.6Very high96.4Very high4 Ų435.5 Ų35.52%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-120.5101.1164.4-177.9-97.6000107.7G364 E365 L367 W574 P607H362-G364 PolarHBondContact O-N 3.41Å; H362-E365 PolarHBondContact N-O 3.38Å; H362-E365 PolarHBondContact O-N 3.37Å; H362-E365 VanDerWaalsContact O-N 3.09Å; H362-L367 HydrophobicContact CB-CD1 4.19Å; H362-L367 HydrophobicContact CB-CD2 3.7Å; H362-L367 HydrophobicContact CB-CG 4.06Å; H362-W574 HydrophobicContact CB-CB 4.38Å; H362-W574 AromaticContact CE1-CD2 3.25Å; H362-W574 AromaticContact CE1-CE2 3.48Å; H362-W574 VanDerWaalsContact CE1-CE2 3.48Å; H362-W574 AromaticContact CE1-CE3 3.47Å; H362-W574 VanDerWaalsContact CE1-CE3 3.47Å; H362-W574 AromaticContact CE1-CG 3.71Å; H362-W574 AromaticContact CE1-CZ2 3.93Å; H362-W574 AromaticContact CE1-CZ3 3.88Å; H362-W574 AromaticContact CE1-NE1 3.96Å; H362-W574 AromaticContact ND1-CD1 3.78Å; H362-W574 AromaticContact ND1-CD2 3.62Å; H362-W574 AromaticContact ND1-CE2 3.98Å; H362-W574 AromaticContact ND1-CG 3.53Å; H362-W574 AromaticContact NE2-CD2 3.76Å; H362-W574 AromaticContact NE2-CE3 3.48Å; H362-W574 AromaticContact NE2-CZ3 3.81Å; H362-P607 WeakPolarHBondContact NE2-CG 3.25Å
363G92.5Very high96.9Very high2 Ų231.2 Ų31.22%0.02116%0.163CC..THydrogen-bonded Turntrans67.6-128.6-170.900000109.5R401 C604G363-R401 PolarHBondContact O-NH2 3.22Å; G363-C604 WeakPolarHBondContact CA-O 3.45Å
364G88.1Confident97Very high36 Ų3633.9 Ų33.937%0.37118%0.177SC..THydrogen-bonded Turntrans-83.1-12.4170.800000114.6H362H362-G364 PolarHBondContact O-N 3.41Å
365E91.9Very high97Very high76 Ų7639.4 Ų39.436%0.35520%0.198SC..EExtended strand (participates in β ladder)trans-84.2136-175-172.1-179.7-16800111.8Y361 H362Y361-E365 CarbonylContact C-O 3.54Å; Y361-E365 VanDerWaalsContact CA-O 3.22Å; Y361-E365 WeakPolarHBondContact CA-O 3.22Å; Y361-E365 WeakPolarHBondContact CD1-O 3.49Å; H362-E365 PolarHBondContact N-O 3.38Å; H362-E365 PolarHBondContact O-N 3.37Å; H362-E365 VanDerWaalsContact O-N 3.09Å
366Q95.8Very high96.9Very high78 Ų7839.9 Ų39.936%0.36420%0.201SC..EExtended strand (participates in β ladder)trans-86124176.7177.1-177.3-20.400110.1Y361 C368 N370Y361-Q366 HydrophobicContact CD1-CB 4.28Å; Y361-Q366 HydrophobicContact CE1-CB 3.83Å; Q366-C368 WeakPolarHBondContact CG-O 3.45Å; Q366-C368 PolarHBondContact NE2-O 3.28Å; Q366-N370 PolarHBondContact NE2-ND2 2.85Å; Q366-N370 PolarHBondContact OE1-ND2 2.73Å
367L97.7Very high96.8Very high8 Ų842.6 Ų42.64%0.04222%0.219CC..SBendtrans-81.6-28-176.1-65.1-175.8000114.1I360 H362 M391 P397 A400 W574 N575I360-L367 HydrophobicContact CG2-CB 4.46Å; I360-L367 HydrophobicContact CG2-CD1 4.03Å; I360-L367 PolarHBondContact O-N 3.45Å; H362-L367 HydrophobicContact CB-CD1 4.19Å; H362-L367 HydrophobicContact CB-CD2 3.7Å; H362-L367 HydrophobicContact CB-CG 4.06Å; L367-M391 HydrophobicContact CB-SD 4.48Å; L367-P397 HydrophobicContact CD1-CG 3.65Å; L367-A400 HydrophobicContact CD1-CB 4.28Å; L367-W574 HydrophobicContact CD2-CB 3.78Å; L367-N575 HydrophobicContact CB-CB 4.3Å; L367-N575 HydrophobicContact CD2-CB 4.27Å; L367-N575 PolarHBondContact O-ND2 3.5Å
368C96.8Very high96.5Very high14 Ų1440.5 Ų40.510%0.09521%0.213CC..SBendtrans-153.8166.2178.968.10000110.1Q366 N370 D390 M391Q366-C368 WeakPolarHBondContact CG-O 3.45Å; Q366-C368 PolarHBondContact NE2-O 3.28Å; C368-N370 PolarHBondContact O-N 2.6Å; C368-D390 VanDerWaalsContact CB-O 3.3Å; C368-D390 WeakPolarHBondContact CB-O 3.35Å; C368-M391 HydrophobicContact CB-CB 4.44Å
369D97.8Very high96.2Very high136 Ų13645 Ų4573%0.72724%0.244SC*.  trans-52.5139.9179.8-81-21.8000113.8
370N97.9Very high96Very high30 Ų3049 Ų4916%0.1627%0.266CS..  trans-66.9135.9175.8-80.7-163000109.7R357 T358 Y361 Q366 C368 L456R357-N370 PolarHBondContact NE-OD1 2.86Å; R357-N370 VanDerWaalsContact NE-OD1 3.1Å; R357-N370 VanDerWaalsContact NH2-CB 3.32Å; R357-N370 PolarHBondContact NH2-OD1 3.22Å; T358-N370 CarbonylContact O-C 3.5Å; T358-N370 VanDerWaalsContact O-CA 3.28Å; T358-N370 WeakPolarHBondContact O-CA 3.49Å; T358-N370 WeakPolarHBondContact O-CB 3.14Å; Y361-N370 PolarHBondContact OH-ND2 3.37Å; Q366-N370 PolarHBondContact NE2-ND2 2.85Å; Q366-N370 PolarHBondContact OE1-ND2 2.73Å; C368-N370 PolarHBondContact O-N 2.6Å; N370-L456 VanDerWaalsContact OD1-CD1 3.3Å; N370-L456 WeakPolarHBondContact OD1-CD1 3.36Å
371V98.4Very high96Very high32 Ų3249.6 Ų49.619%0.19427%0.269CS..EExtended strand (participates in β ladder)trans-114.5131.7-178.1-167.70000109.5T358 L387 Y389T358-V371 PolarHBondContact N-O 2.86Å; T358-V371 PolarHBondContact O-N 3.17Å; T358-V371 PolarHBondContact OG1-O 3.22Å; V371-L387 HydrophobicContact CB-CB 4.46Å; V371-L387 HydrophobicContact CG1-CB 3.95Å; V371-L387 HydrophobicContact CG1-CD1 4.35Å; V371-L387 HydrophobicContact CG1-CD2 4.02Å; V371-L387 HydrophobicContact CG1-CG 4.32Å; V371-Y389 HydrophobicContact CB-CD1 4.32Å; V371-Y389 HydrophobicContact CB-CE1 3.97Å; V371-Y389 HydrophobicContact CG2-CD1 3.62Å; V371-Y389 HydrophobicContact CG2-CE1 3.78Å; V371-Y389 HydrophobicContact CG2-CG 4.38Å
372N98.4Very high95.9Very high66 Ų6655.3 Ų55.335%0.35329%0.291SS..EExtended strand (participates in β ladder)trans-107.3146.6177.6-63-26.7000109.8Y355 V356 R357Y355-N372 HydrophobicContact CD2-CB 3.9Å; Y355-N372 HydrophobicContact CE2-CB 4.14Å; V356-N372 WeakPolarHBondContact O-CA 3.39Å; R357-N372 VanDerWaalsContact CG-OD1 3.28Å; R357-N372 WeakPolarHBondContact CG-OD1 3.46Å; R357-N372 PolarHBondContact NH1-ND2 2.64Å; R357-N372 PolarHBondContact NH1-OD1 3.45Å
373T98.7Very high96Very high8 Ų856.3 Ų56.35%0.04929%0.294CS..PPolyproline II helixtrans-70.8171163.165.20000111.3I338 V356 W383 E385 L387I338-T373 HydrophobicContact CB-CG2 3.75Å; I338-T373 HydrophobicContact CG1-CG2 3.61Å; I338-T373 HydrophobicContact CG2-CG2 4Å; V356-T373 HydrophobicContact CB-CG2 3.85Å; V356-T373 HydrophobicContact CG2-CG2 4.48Å; V356-T373 PolarHBondContact N-OG1 3.41Å; V356-T373 PolarHBondContact O-N 3.36Å; V356-T373 PolarHBondContact O-OG1 3.02Å; T373-W383 VanDerWaalsContact CB-CD1 3.42Å; T373-W383 HydrophobicContact CG2-CB 4.37Å; T373-W383 HydrophobicContact CG2-CG 4.1Å; T373-W383 PolarHBondContact OG1-NE1 2.93Å; T373-E385 WeakPolarHBondContact CA-OE2 3.44Å; T373-E385 VanDerWaalsContact CB-OE2 3.29Å; T373-E385 WeakPolarHBondContact CB-OE2 3.48Å; T373-L387 HydrophobicContact CG2-CD1 4.05Å; T373-L387 HydrophobicContact CG2-CD2 4.06Å; T373-L387 HydrophobicContact CG2-CG 4.4Å
374Q97.8Very high96.2Very high138 Ų13860.3 Ų60.365%0.64532%0.315SS*.PPolyproline II helixtrans-58.5153.2164.6-64.5-179.125.200112W383 E385Q374-W383 PolarHBondContact O-NE1 3.4Å; Q374-E385 PolarHBondContact N-OE2 2.8Å
375R97.4Very high96.7Very high115 Ų11560.7 Ų60.743%0.43431%0.307SS..PPolyproline II helixtrans-80.7124.6176.1-64.8179.6-174.5-174.2-2.6110K353 I354 E417K353-R375 HydrophobicContact CB-CB 3.99Å; K353-R375 HydrophobicContact CG-CB 4.25Å; I354-R375 CarbonylContact O-C 3.56Å; I354-R375 WeakPolarHBondContact O-CA 3.39Å; R375-E417 IonicContact CZ-OE1 2.73Å; R375-E417 IonicContact CZ-OE2 3.18Å; R375-E417 VanDerWaalsContact CZ-OE2 3.27Å; R375-E417 IonicContact NH1-OE1 3.87Å; R375-E417 PolarHBondContact NH1-OE1 2.92Å; R375-E417 IonicContact NH1-OE2 2.77Å; R375-E417 PolarHBondContact NH1-OE2 2.72Å; R375-E417 IonicContact NH2-OE1 3.37Å; R375-E417 IonicContact NH2-OE2 3.35Å; R375-E417 PolarHBondContact NH2-OE2 2.84Å
376V97.4Very high97Very high17 Ų1760.8 Ų60.810%0.10330%0.304CS..BIsolated β-bridgetrans-119.7157.4-178-57.60000111.4K353 I354 W383K353-V376 WeakPolarHBondContact CA-O 3.47Å; K353-V376 WeakPolarHBondContact CD-O 3.45Å; I354-V376 HydrophobicContact CD1-CG2 4.25Å; I354-V376 HydrophobicContact CG1-CG2 3.85Å; I354-V376 PolarHBondContact N-O 2.98Å; I354-V376 PolarHBondContact O-N 3.32Å; V376-W383 HydrophobicContact CG1-CG 4.35Å; V376-W383 HydrophobicContact CG2-CD2 4.45Å; V376-W383 HydrophobicContact CG2-CZ2 3.62Å
377P95.1Very high97.2Very high57 Ų5757.2 Ų57.237%0.3729%0.288SS..  trans-60.9142.9173.7-17.630000112.1S379 N380P377-S379 PolarHBondContact O-N 3.16Å; P377-S379 VanDerWaalsContact O-N 3.13Å; P377-N380 CarbonylContact O-C 3.53Å; P377-N380 PolarHBondContact O-N 3.48Å; P377-N380 VanDerWaalsContact O-N 3.09Å
378C92.8Very high97.2Very high11 Ų1161.8 Ų61.87%0.07431%0.312CS..THydrogen-bonded Turntrans-55.2-30.4177.4-59.10000114V346 I348 N380V346-C378 HydrophobicContact CG2-CB 3.63Å; I348-C378 HydrophobicContact CG1-CB 4.15Å; C378-N380 VanDerWaalsContact C-N 3.34Å
379S92.7Very high97.2Very high94 Ų9461.3 Ų61.366%0.65731%0.309SS*.THydrogen-bonded Turntrans-77.5-14.6-178.854.60000114.5P377P377-S379 PolarHBondContact O-N 3.16Å; P377-S379 VanDerWaalsContact O-N 3.13Å
380N95.2Very high97.2Very high85 Ų8561.9 Ų61.946%0.45531%0.311SS..  trans-142.575.4-178.7-172.629.9000111P377 C378 R382P377-N380 CarbonylContact O-C 3.53Å; P377-N380 PolarHBondContact O-N 3.48Å; P377-N380 VanDerWaalsContact O-N 3.09Å; C378-N380 VanDerWaalsContact C-N 3.34Å; N380-R382 PolarHBondContact O-N 3.14Å; N380-R382 WeakPolarHBondContact OD1-CD 3.49Å; N380-R382 WeakPolarHBondContact OD1-CG 3.29Å
381P96.9Very high97.1Very high12 Ų1260.7 Ų60.78%0.07831%0.305CS..  trans-70.969.718030.1-37000112.7C340 A341 I354 W383C340-P381 CarbonylContact C-O 3.56Å; C340-P381 VanDerWaalsContact CA-O 3.32Å; C340-P381 WeakPolarHBondContact CA-O 3.29Å; C340-P381 WeakPolarHBondContact CB-O 3.47Å; A341-P381 HydrophobicContact CB-CB 4.06Å; A341-P381 HydrophobicContact CB-CG 4.36Å; A341-P381 PolarHBondContact N-O 2.97Å; A341-P381 WeakPolarHBondContact O-CG 3.33Å; I354-P381 HydrophobicContact CD1-CB 3.69Å; P381-W383 HydrophobicContact CB-CH2 3.86Å; P381-W383 HydrophobicContact CB-CZ3 4.21Å; P381-W383 WeakPolarHBondContact O-CZ3 3.43Å
382R98.2Very high97.1Very high142 Ų14262.7 Ų62.754%0.53631%0.31SS..EExtended strand (participates in β ladder)trans-129.1130.7178-62.6-172178.1-91.3-0.5110.8C340 N380C340-R382 HydrophobicContact CB-CB 4.24Å; C340-R382 HydrophobicContact CB-CG 3.72Å; N380-R382 PolarHBondContact O-N 3.14Å; N380-R382 WeakPolarHBondContact OD1-CD 3.49Å; N380-R382 WeakPolarHBondContact OD1-CG 3.29Å
383W98.4Very high97.1Very high26 Ų2659.8 Ų59.810%0.09829%0.294CS..EExtended strand (participates in β ladder)trans-119.5-47.1-176.8-62-85.7000112.5I338 L339 A341 I354 V356 T373 Q374 V376 P381 E385 L473I338-W383 HydrophobicContact CG2-CB 4.48Å; I338-W383 HydrophobicContact CG2-CD2 4.29Å; I338-W383 HydrophobicContact CG2-CE3 3.85Å; L339-W383 PolarHBondContact O-N 2.83Å; A341-W383 HydrophobicContact CB-CH2 4.4Å; A341-W383 HydrophobicContact CB-CZ3 4.13Å; I354-W383 HydrophobicContact CD1-CZ2 4.4Å; V356-W383 HydrophobicContact CG2-CD2 4.12Å; V356-W383 HydrophobicContact CG2-CE3 3.94Å; V356-W383 HydrophobicContact CG2-CH2 3.5Å; V356-W383 VanDerWaalsContact CG2-CH2 3.5Å; V356-W383 HydrophobicContact CG2-CZ2 3.68Å; V356-W383 HydrophobicContact CG2-CZ3 3.63Å; T373-W383 VanDerWaalsContact CB-CD1 3.42Å; T373-W383 HydrophobicContact CG2-CB 4.37Å; T373-W383 HydrophobicContact CG2-CG 4.1Å; T373-W383 PolarHBondContact OG1-NE1 2.93Å; Q374-W383 PolarHBondContact O-NE1 3.4Å; V376-W383 HydrophobicContact CG1-CG 4.35Å; V376-W383 HydrophobicContact CG2-CD2 4.45Å; V376-W383 HydrophobicContact CG2-CZ2 3.62Å; P381-W383 HydrophobicContact CB-CH2 3.86Å; P381-W383 HydrophobicContact CB-CZ3 4.21Å; P381-W383 WeakPolarHBondContact O-CZ3 3.43Å; W383-E385 HydrophobicContact CB-CB 4.19Å; W383-E385 PolarHBondContact O-N 2.75Å; W383-L473 HydrophobicContact CZ3-CD1 4.07Å
384N97.8Very high97.1Very high85 Ų8559.4 Ų59.446%0.45529%0.292SS..EExtended strand (participates in β ladder)trans5034.4-173.8-66.4-46000114R337 I338 L339R337-N384 PolarHBondContact NE-O 2.98Å; I338-N384 CarbonylContact O-C 3.6Å; I338-N384 VanDerWaalsContact O-CA 3.24Å; I338-N384 WeakPolarHBondContact O-CA 3.44Å; I338-N384 PolarHBondContact O-N 3.46Å; L339-N384 PolarHBondContact O-N 3.26Å
385E98.4Very high97.1Very high44 Ų4454.5 Ų54.521%0.20627%0.27CS..EExtended strand (participates in β ladder)trans-108.2132.4-166.7-176.6176.3-174.500111.1R337 I338 T373 Q374 W383 L387R337-E385 CarbonylContact C-O 3.59Å; R337-E385 VanDerWaalsContact CA-O 3.26Å; R337-E385 WeakPolarHBondContact CA-O 3.39Å; R337-E385 WeakPolarHBondContact CG-O 3.43Å; I338-E385 PolarHBondContact N-O 3.4Å; I338-E385 PolarHBondContact O-N 3.39Å; T373-E385 WeakPolarHBondContact CA-OE2 3.44Å; T373-E385 VanDerWaalsContact CB-OE2 3.29Å; T373-E385 WeakPolarHBondContact CB-OE2 3.48Å; Q374-E385 PolarHBondContact N-OE2 2.8Å; W383-E385 HydrophobicContact CB-CB 4.19Å; W383-E385 PolarHBondContact O-N 2.75Å; E385-L387 HydrophobicContact CG-CD2 4.02Å
386W98.4Very high97.1Very high79 Ų7949 Ų4930%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-83.5117.5169.2-79.3100000109.6R335 R337 E476R335-W386 HydrophobicContact CB-CE3 3.91Å; R335-W386 HydrophobicContact CB-CZ3 4.32Å; R335-W386 HydrophobicContact CG-CE3 3.71Å; R335-W386 HydrophobicContact CG-CZ3 3.75Å; R337-W386 HydrophobicContact CB-CD2 3.64Å; R337-W386 HydrophobicContact CB-CE3 3.73Å; R337-W386 HydrophobicContact CB-CG 4.19Å; R337-W386 HydrophobicContact CB-CH2 4.06Å; R337-W386 HydrophobicContact CB-CZ2 3.98Å; R337-W386 HydrophobicContact CB-CZ3 3.94Å; R337-W386 HydrophobicContact CG-CD2 3.93Å; R337-W386 HydrophobicContact CG-CG 4.01Å; R337-W386 HydrophobicContact CG-CZ2 4.46Å; W386-E476 HydrophobicContact CH2-CG 4.4Å; W386-E476 HydrophobicContact CZ2-CG 4.5Å
387L98.5Very high97.2Very high3 Ų348.5 Ų48.52%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-89.3126.5170.7-55.4-173.6000108.5R335 I336 I338 T358 V371 T373 E385 Y389R335-L387 CarbonylContact C-O 3.23Å; R335-L387 WeakPolarHBondContact CA-O 3.48Å; R335-L387 WeakPolarHBondContact CB-O 3.38Å; I336-L387 PolarHBondContact N-O 3.18Å; I336-L387 PolarHBondContact O-N 3.44Å; I338-L387 HydrophobicContact CD1-CD1 4.23Å; I338-L387 HydrophobicContact CG1-CD1 3.66Å; I338-L387 HydrophobicContact CG1-CG 4.03Å; T358-L387 HydrophobicContact CG2-CD1 3.76Å; T358-L387 WeakPolarHBondContact OG1-CD1 3.44Å; V371-L387 HydrophobicContact CB-CB 4.46Å; V371-L387 HydrophobicContact CG1-CB 3.95Å; V371-L387 HydrophobicContact CG1-CD1 4.35Å; V371-L387 HydrophobicContact CG1-CD2 4.02Å; V371-L387 HydrophobicContact CG1-CG 4.32Å; T373-L387 HydrophobicContact CG2-CD1 4.05Å; T373-L387 HydrophobicContact CG2-CD2 4.06Å; T373-L387 HydrophobicContact CG2-CG 4.4Å; E385-L387 HydrophobicContact CG-CD2 4.02Å; L387-Y389 HydrophobicContact CB-CE2 4.06Å
388N97.9Very high97.3Very high104 Ų10446.2 Ų46.256%0.55623%0.23SC*.EExtended strand (participates in β ladder)trans-100.7127.6175.6-57.2-72000108.3
389Y98.1Very high97.6Very high4 Ų445.7 Ų45.72%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-102.2139.9177-57.9-90000108.6L334 I336 T358 I360 V371 L387 M391L334-Y389 HydrophobicContact CB-CD2 4.49Å; L334-Y389 HydrophobicContact CD2-CD2 4.15Å; L334-Y389 HydrophobicContact CD2-CG 4.39Å; L334-Y389 HydrophobicContact CG-CD2 3.99Å; L334-Y389 PolarHBondContact O-N 3.05Å; I336-Y389 HydrophobicContact CB-CE2 3.94Å; I336-Y389 HydrophobicContact CD1-CD2 4.43Å; I336-Y389 HydrophobicContact CD1-CE2 3.67Å; I336-Y389 HydrophobicContact CG1-CE2 3.95Å; T358-Y389 VanDerWaalsContact CB-OH 3.24Å; T358-Y389 WeakPolarHBondContact CB-OH 3.26Å; T358-Y389 WeakPolarHBondContact OG1-CE1 3.41Å; T358-Y389 PolarHBondContact OG1-OH 3.32Å; I360-Y389 HydrophobicContact CD1-CD1 4.17Å; I360-Y389 HydrophobicContact CD1-CE1 4.13Å; I360-Y389 HydrophobicContact CD1-CG 4.42Å; I360-Y389 HydrophobicContact CG1-CD1 3.79Å; I360-Y389 HydrophobicContact CG1-CE1 4.19Å; I360-Y389 HydrophobicContact CG1-CG 4.09Å; V371-Y389 HydrophobicContact CB-CD1 4.32Å; V371-Y389 HydrophobicContact CB-CE1 3.97Å; V371-Y389 HydrophobicContact CG2-CD1 3.62Å; V371-Y389 HydrophobicContact CG2-CE1 3.78Å; V371-Y389 HydrophobicContact CG2-CG 4.38Å; L387-Y389 HydrophobicContact CB-CE2 4.06Å; Y389-M391 PolarHBondContact O-N 3.44Å
390D96.9Very high97.9Very high147 Ų14741.2 Ų41.279%0.78620%0.195SC*.EExtended strand (participates in β ladder)trans-75.466.3171.2-169.123.4000109.8C368C368-D390 VanDerWaalsContact CB-O 3.3Å; C368-D390 WeakPolarHBondContact CB-O 3.35Å
391M96.6Very high98Very high6 Ų638.1 Ų38.13%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-146.8116.3-175.2-173.165-165.500108.5T333 L334 L367 C368 Y389 D395 I396 N575T333-M391 CarbonylContact C-O 3.58Å; T333-M391 WeakPolarHBondContact CA-O 3.26Å; L334-M391 HydrophobicContact CB-CB 4.34Å; L334-M391 PolarHBondContact N-O 3.16Å; L367-M391 HydrophobicContact CB-SD 4.48Å; C368-M391 HydrophobicContact CB-CB 4.44Å; Y389-M391 PolarHBondContact O-N 3.44Å; M391-D395 HydrophobicContact CE-CB 3.79Å; M391-D395 WeakPolarHBondContact CE-O 3.46Å; M391-I396 HydrophobicContact CE-CB 4.38Å; M391-I396 HydrophobicContact CE-CG1 4Å; M391-I396 HydrophobicContact CG-CG1 4.05Å; M391-N575 HydrophobicContact CE-CB 4.05Å; M391-N575 HydrophobicContact SD-CB 3.98Å
392Y97.8Very high98.1Very high73 Ų7337.6 Ų37.629%0.28617%0.174SC..EExtended strand (participates in β ladder)trans-77133.6177.7-171.9-130.2000110N331 G332 P394 D395N331-Y392 PolarHBondContact OD1-OH 3.4Å; G332-Y392 WeakPolarHBondContact O-CD2 3.47Å; Y392-P394 HydrophobicContact CD1-CB 3.94Å; Y392-P394 VanDerWaalsContact CD1-CD 3.49Å; Y392-P394 HydrophobicContact CD1-CG 3.82Å; Y392-P394 HydrophobicContact CE1-CB 3.78Å; Y392-P394 VanDerWaalsContact CE1-CD 3.47Å; Y392-P394 HydrophobicContact CE1-CG 3.35Å; Y392-P394 HydrophobicContact CE2-CG 4.41Å; Y392-P394 HydrophobicContact CG-CG 4.5Å; Y392-D395 WeakPolarHBondContact CD1-OD2 3.37Å; Y392-D395 PolarHBondContact O-N 3.27Å
393I97.9Very high98.1Very high5 Ų530.8 Ų30.83%0.02615%0.148CC..G310 helixtrans-56.5-43.9-172.2-72168.1000112.8L327 I330 G332 D395 I396 F480L327-I393 HydrophobicContact CD1-CG2 3.47Å; L327-I393 VanDerWaalsContact CD1-CG2 3.47Å; L327-I393 HydrophobicContact CG-CG2 4.23Å; I330-I393 HydrophobicContact CB-CB 4.47Å; I330-I393 HydrophobicContact CB-CG2 3.86Å; I330-I393 HydrophobicContact CG1-CG2 4.46Å; I330-I393 HydrophobicContact CG2-CB 4.21Å; I330-I393 HydrophobicContact CG2-CD1 3.72Å; I330-I393 HydrophobicContact CG2-CG2 3.89Å; G332-I393 WeakPolarHBondContact O-CB 3.35Å; G332-I393 WeakPolarHBondContact O-CG1 3.49Å; G332-I393 PolarHBondContact O-N 2.91Å; I393-D395 PolarHBondContact O-N 3.02Å; I393-I396 HydrophobicContact CB-CD1 4.44Å; I393-I396 HydrophobicContact CG1-CD1 4.38Å; I393-I396 HydrophobicContact CG2-CD1 4.5Å; I393-I396 WeakPolarHBondContact O-CB 3.09Å; I393-I396 VanDerWaalsContact O-CG1 3.3Å; I393-I396 WeakPolarHBondContact O-CG1 3.3Å; I393-I396 PolarHBondContact O-N 2.9Å; I393-F480 HydrophobicContact CD1-CE1 4.29Å; I393-F480 HydrophobicContact CD1-CZ 3.83Å
394P98.1Very high98.1Very high0 Ų029.6 Ų29.60%014%0.143CC..G310 helixtrans-59.5-24.6174.8-33.340.8000116.2W328 I330 Y392 I396 R577W328-P394 PolarHBondContact NE1-O 3.23Å; I330-P394 WeakPolarHBondContact O-CD 3.47Å; I330-P394 WeakPolarHBondContact O-CG 3.36Å; Y392-P394 HydrophobicContact CD1-CB 3.94Å; Y392-P394 VanDerWaalsContact CD1-CD 3.49Å; Y392-P394 HydrophobicContact CD1-CG 3.82Å; Y392-P394 HydrophobicContact CE1-CB 3.78Å; Y392-P394 VanDerWaalsContact CE1-CD 3.47Å; Y392-P394 HydrophobicContact CE1-CG 3.35Å; Y392-P394 HydrophobicContact CE2-CG 4.41Å; Y392-P394 HydrophobicContact CG-CG 4.5Å; P394-I396 VanDerWaalsContact C-N 3.33Å; P394-R577 WeakPolarHBondContact O-CD 3.41Å
395D98.3Very high98.2Very high35 Ų3525.5 Ų25.519%0.18712%0.122CC..G310 helixtrans-87.4-4.1-178.3-69.9-43.1000113.1M391 Y392 I393 P397 N575 R577M391-D395 HydrophobicContact CE-CB 3.79Å; M391-D395 WeakPolarHBondContact CE-O 3.46Å; Y392-D395 WeakPolarHBondContact CD1-OD2 3.37Å; Y392-D395 PolarHBondContact O-N 3.27Å; I393-D395 PolarHBondContact O-N 3.02Å; D395-P397 VanDerWaalsContact O-CD 3.25Å; D395-P397 WeakPolarHBondContact O-CD 3.27Å; D395-N575 WeakPolarHBondContact CB-O 3.25Å; D395-R577 WeakPolarHBondContact OD1-CB 3.47Å; D395-R577 WeakPolarHBondContact OD1-CG 3.23Å; D395-R577 PolarHBondContact OD1-N 3.45Å
396I98.3Very high98.2Very high1 Ų123.4 Ų23.41%0.00511%0.112CC..  trans-65.7116179.1-59.2174.1000109.1L334 M391 I393 P394 A400 L429 F430L334-I396 HydrophobicContact CB-CD1 4.41Å; L334-I396 HydrophobicContact CD1-CD1 4.21Å; L334-I396 HydrophobicContact CD2-CD1 4.29Å; M391-I396 HydrophobicContact CE-CB 4.38Å; M391-I396 HydrophobicContact CE-CG1 4Å; M391-I396 HydrophobicContact CG-CG1 4.05Å; I393-I396 HydrophobicContact CB-CD1 4.44Å; I393-I396 HydrophobicContact CG1-CD1 4.38Å; I393-I396 HydrophobicContact CG2-CD1 4.5Å; I393-I396 WeakPolarHBondContact O-CB 3.09Å; I393-I396 VanDerWaalsContact O-CG1 3.3Å; I393-I396 WeakPolarHBondContact O-CG1 3.3Å; I393-I396 PolarHBondContact O-N 2.9Å; P394-I396 VanDerWaalsContact C-N 3.33Å; I396-A400 HydrophobicContact CG2-CB 3.39Å; I396-L429 HydrophobicContact CG2-CD1 3.93Å; I396-F430 HydrophobicContact CG2-CE2 3.74Å; I396-F430 HydrophobicContact CG2-CZ 4.17Å
397P98.3Very high98.2Very high5 Ų519.7 Ų19.73%0.03210%0.098CC..  trans-70.6158.2-179.729.7-35.3000111L367 D395 A399 A400 F430 W574L367-P397 HydrophobicContact CD1-CG 3.65Å; D395-P397 VanDerWaalsContact O-CD 3.25Å; D395-P397 WeakPolarHBondContact O-CD 3.27Å; P397-A399 PolarHBondContact O-N 2.92Å; P397-A399 VanDerWaalsContact O-N 3.09Å; P397-A400 HydrophobicContact CG-CB 4.03Å; P397-A400 VanDerWaalsContact O-CB 3.27Å; P397-A400 WeakPolarHBondContact O-CB 3.48Å; P397-A400 PolarHBondContact O-N 3.16Å; P397-F430 WeakPolarHBondContact O-CE2 3.24Å; P397-W574 HydrophobicContact CB-CE3 4.22Å; P397-W574 WeakPolarHBondContact CD-O 3.36Å; P397-W574 VanDerWaalsContact CG-O 3.28Å; P397-W574 WeakPolarHBondContact CG-O 3.49Å
398R98.2Very high98Very high9 Ų919.9 Ų19.93%0.03410%0.1CC..THydrogen-bonded Turntrans-55.3-36-175179.858.8-171.381-8.3112.8F430 D431 H434 F486 P609 Y644R398-F430 WeakPolarHBondContact O-CD2 3.47Å; R398-D431 PolarHBondContact NH2-O 2.84Å; R398-H434 PolarHBondContact NE-ND1 2.77Å; R398-F486 HydrophobicContact CB-CD1 4.3Å; R398-F486 HydrophobicContact CB-CD2 4.15Å; R398-F486 HydrophobicContact CB-CE1 3.92Å; R398-F486 HydrophobicContact CB-CE2 3.78Å; R398-F486 HydrophobicContact CB-CG 4.42Å; R398-F486 HydrophobicContact CB-CZ 3.66Å; R398-F486 HydrophobicContact CG-CD1 4.42Å; R398-F486 HydrophobicContact CG-CE1 4.44Å; R398-P609 HydrophobicContact CG-CG 3.92Å; R398-Y644 PolarHBondContact NH1-OH 3.35Å; R398-Y644 PolarHBondContact NH2-OH 3.09Å
399A98.3Very high97.9Very high0 Ų015.1 Ų15.10%07%0.074CC..THydrogen-bonded Turntrans-93.413.8-177.700000114.8P397 P607 Q643P397-A399 PolarHBondContact O-N 2.92Å; P397-A399 VanDerWaalsContact O-N 3.09Å; A399-P607 HydrophobicContact CB-CB 3.91Å; A399-P607 HydrophobicContact CB-CG 3.84Å; A399-Q643 PolarHBondContact O-NE2 2.69Å
400A98.6Very high97.5Very high0 Ų018.8 Ų18.80%09%0.09CC..  trans-63.2141.2179.900000112.7Y361 L367 I396 P397 L429Y361-A400 WeakPolarHBondContact O-CA 3.47Å; L367-A400 HydrophobicContact CD1-CB 4.28Å; I396-A400 HydrophobicContact CG2-CB 3.39Å; P397-A400 HydrophobicContact CG-CB 4.03Å; P397-A400 VanDerWaalsContact O-CB 3.27Å; P397-A400 WeakPolarHBondContact O-CB 3.48Å; P397-A400 PolarHBondContact O-N 3.16Å; A400-L429 HydrophobicContact CB-CD1 3.89Å; A400-L429 HydrophobicContact CB-CG 4.46Å; A400-L429 PolarHBondContact O-N 2.69Å
401R98.4Very high96.7Very high21 Ų2113.9 Ų13.98%0.0797%0.074CC..EExtended strand (participates in β ladder)trans-132.3142.8-179.6-59.6-179.1-65.2136.84.7111I360 Y361 G363 I427 N428 A458 T462I360-R401 WeakPolarHBondContact CA-O 3.39Å; Y361-R401 PolarHBondContact N-O 3.13Å; Y361-R401 PolarHBondContact O-N 2.84Å; G363-R401 PolarHBondContact O-NH2 3.22Å; R401-I427 CarbonylContact C-O 3.45Å; R401-I427 VanDerWaalsContact CA-O 3.26Å; R401-I427 WeakPolarHBondContact CA-O 3.33Å; R401-N428 WeakPolarHBondContact CD-OD1 3.44Å; R401-N428 WeakPolarHBondContact CG-OD1 3.37Å; R401-A458 VanDerWaalsContact CZ-O 3.26Å; R401-A458 PolarHBondContact NH1-O 3.19Å; R401-A458 PolarHBondContact NH2-O 3.46Å; R401-T462 HydrophobicContact CG-CG2 4.43Å
402L98.7Very high95.7Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-84.3118.3163.1173.664.6000108.3I336 I360 L404 N426 I427 L429 L475 F477I336-L402 HydrophobicContact CD1-CD1 3.84Å; I336-L402 HydrophobicContact CD1-CD2 3.81Å; I336-L402 HydrophobicContact CD1-CG 4.29Å; I336-L402 HydrophobicContact CG2-CD2 4.39Å; I360-L402 HydrophobicContact CD1-CB 4.48Å; I360-L402 HydrophobicContact CD1-CD1 3.87Å; L402-L404 HydrophobicContact CD2-CD2 3.92Å; L402-L404 HydrophobicContact CG-CD2 4.21Å; L402-N426 CarbonylContact O-C 3.56Å; L402-N426 VanDerWaalsContact O-CA 3.29Å; L402-N426 WeakPolarHBondContact O-CA 3.46Å; L402-I427 HydrophobicContact CB-CB 4.46Å; L402-I427 HydrophobicContact CD2-CD1 4.29Å; L402-I427 PolarHBondContact N-O 3.2Å; L402-I427 PolarHBondContact O-N 3.47Å; L402-L429 HydrophobicContact CB-CD2 3.96Å; L402-L475 HydrophobicContact CD2-CD2 4.39Å; L402-F477 HydrophobicContact CD2-CE1 4.17Å; L402-F477 HydrophobicContact CD2-CZ 3.95Å
403C98.6Very high94.2Very high0 Ų027.3 Ų27.30%013%0.13CC..EExtended strand (participates in β ladder)trans-105.6128.6171.3-60.20000108.7T358 G359 Y361 N426T358-C403 CarbonylContact C-O 3.21Å; T358-C403 WeakPolarHBondContact CA-O 3.15Å; G359-C403 PolarHBondContact N-O 3.34Å; G359-C403 PolarHBondContact O-N 3.31Å; Y361-C403 HydrophobicContact CD2-CB 3.62Å; Y361-C403 VanDerWaalsContact CD2-SG 3.59Å; Y361-C403 HydrophobicContact CE2-CB 3.96Å; Y361-C403 HydrophobicContact CG-CB 4.47Å; C403-N426 WeakPolarHBondContact CA-OD1 3.09Å; C403-N426 WeakPolarHBondContact CB-OD1 3.44Å
404L98.6Very high92.9Very high0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-141.7157.9-17862.976.6000113.4R357 T358 L402 W424 G425 L443 L445 L473 L475R357-L404 CarbonylContact O-C 3.52Å; R357-L404 VanDerWaalsContact O-CA 3.23Å; R357-L404 WeakPolarHBondContact O-CA 3.42Å; R357-L404 WeakPolarHBondContact O-CB 3.33Å; T358-L404 HydrophobicContact CG2-CB 3.95Å; L402-L404 HydrophobicContact CD2-CD2 3.92Å; L402-L404 HydrophobicContact CG-CD2 4.21Å; L404-W424 CarbonylContact O-C 3.38Å; L404-W424 WeakPolarHBondContact O-CA 3.41Å; L404-G425 WeakPolarHBondContact CG-O 3.39Å; L404-G425 PolarHBondContact N-O 3.45Å; L404-G425 PolarHBondContact O-N 2.97Å; L404-L443 HydrophobicContact CD1-CD2 4.01Å; L404-L443 HydrophobicContact CD2-CD2 4.35Å; L404-L443 HydrophobicContact CG-CD2 4.39Å; L404-L445 HydrophobicContact CD1-CD2 3.71Å; L404-L473 HydrophobicContact CD1-CD2 3.61Å; L404-L473 HydrophobicContact CD2-CD2 3.88Å; L404-L473 HydrophobicContact CG-CD2 4.38Å; L404-L475 HydrophobicContact CD2-CD1 4.22Å; L404-L475 HydrophobicContact CD2-CD2 3.61Å
405S98.6Very high91.6Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-151.1153.5174.266.70000111.6V356 R357 C407 A423 L455V356-S405 CarbonylContact C-O 3.56Å; V356-S405 VanDerWaalsContact CA-O 3.32Å; V356-S405 WeakPolarHBondContact CA-O 3.39Å; R357-S405 PolarHBondContact N-O 3.12Å; R357-S405 PolarHBondContact O-N 3.03Å; S405-C407 PolarHBondContact OG-SG 2.84Å; S405-A423 CarbonylContact C-O 3.53Å; S405-A423 WeakPolarHBondContact CA-O 3.47Å; S405-A423 VanDerWaalsContact CB-O 3.31Å; S405-A423 WeakPolarHBondContact CB-O 3.46Å; S405-L455 VanDerWaalsContact CB-O 3.26Å; S405-L455 WeakPolarHBondContact CB-O 3.13Å; S405-L455 PolarHBondContact OG-O 3.4Å
406I98.5Very high90.8Very high0 Ų042.1 Ų42.10%023%0.234CC..EExtended strand (participates in β ladder)trans-90.6122.4165.2-54.2178000107A341 V344 I354 V356 L422 A423 L445A341-I406 HydrophobicContact CB-CD1 3.72Å; V344-I406 HydrophobicContact CG1-CD1 3.99Å; V344-I406 HydrophobicContact CG1-CG2 4.02Å; I354-I406 HydrophobicContact CB-CG2 4.49Å; V356-I406 HydrophobicContact CG2-CG1 4.37Å; I406-L422 HydrophobicContact CG2-CD1 4.18Å; I406-L422 WeakPolarHBondContact O-CB 3.33Å; I406-L422 PolarHBondContact O-N 3.29Å; I406-A423 PolarHBondContact N-O 2.86Å; I406-L445 HydrophobicContact CD1-CD1 3.53Å; I406-L445 HydrophobicContact CG1-CD1 3.68Å
407C98.1Very high90.3Very high0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-110.9149.3179.5-67.60000111.1I354 Y355 S405 C420I354-C407 CarbonylContact C-O 3.56Å; I354-C407 WeakPolarHBondContact CA-O 3.41Å; I354-C407 WeakPolarHBondContact CB-O 3.3Å; Y355-C407 HydrophobicContact CD1-CB 4.05Å; Y355-C407 HydrophobicContact CD2-CB 4.49Å; Y355-C407 HydrophobicContact CE1-CB 3.46Å; Y355-C407 VanDerWaalsContact CE1-CB 3.46Å; Y355-C407 HydrophobicContact CE2-CB 3.99Å; Y355-C407 VanDerWaalsContact CZ-CB 3.43Å; Y355-C407 PolarHBondContact N-O 3.11Å; Y355-C407 PolarHBondContact O-N 3.08Å; S405-C407 PolarHBondContact OG-SG 2.84Å; C407-C420 CarbonylContact C-O 3.54Å; C407-C420 WeakPolarHBondContact CA-O 3.46Å
408S96.1Very high89.9Confident8 Ų849.2 Ų49.26%0.05627%0.266CS..EExtended strand (participates in β ladder)trans-99.7151.7168.357.80000111H419 C420S408-H419 WeakPolarHBondContact O-CA 3.1Å; S408-C420 PolarHBondContact N-O 2.89Å; S408-C420 PolarHBondContact O-N 3.15Å; S408-C420 PolarHBondContact OG-O 2.78Å; S408-C420 VanDerWaalsContact OG-O 3.07Å
409V94.4Very high89.7Confident3 Ų351.8 Ų51.82%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-120.9128.3169.5-1750000108.5D352 K353 Y355 E417 E418D352-V409 PolarHBondContact N-O 2.96Å; D352-V409 VanDerWaalsContact N-O 3.07Å; K353-V409 PolarHBondContact O-N 3.45Å; Y355-V409 HydrophobicContact CD1-CG2 3.73Å; Y355-V409 HydrophobicContact CE1-CG2 3.45Å; Y355-V409 VanDerWaalsContact CE1-CG2 3.45Å; V409-E417 HydrophobicContact CG1-CB 4.09Å; V409-E417 HydrophobicContact CG1-CG 4.2Å; V409-E418 WeakPolarHBondContact CA-O 3.47Å
410K90.3Very high89.5Confident82 Ų8254.2 Ų54.236%0.35730%0.295SS..EExtended strand (participates in β ladder)trans-122.2122.3174.1-179.7173.8-170.4170.40110.3D350 R412 E418D350-K410 WeakPolarHBondContact O-CD 3.37Å; D350-K410 VanDerWaalsContact O-CE 3.23Å; D350-K410 WeakPolarHBondContact O-CE 3.38Å; D350-K410 VanDerWaalsContact O-CG 3.27Å; D350-K410 WeakPolarHBondContact O-CG 3.42Å; K410-R412 PolarHBondContact O-N 3.12Å; K410-E418 HydrophobicContact CB-CB 4.48Å; K410-E418 PolarHBondContact N-O 3.4Å; K410-E418 PolarHBondContact O-N 3.35Å
411G80.4Confident89.4Confident43 Ų4355.3 Ų55.344%0.44330%0.302SS..EExtended strand (participates in β ladder)trans-69.5124.5170.500000111.2D352D352-G411 PolarHBondContact OD2-N 2.91Å
412R74.4Confident89.3Confident140 Ų14056.7 Ų56.753%0.52831%0.311SS..PPolyproline II helixtrans-95164.3166.4-68.1-177.9172.7-170.9-1.4109.6K410 G414 K416 E418K410-R412 PolarHBondContact O-N 3.12Å; R412-G414 PolarHBondContact O-N 3.47Å; R412-K416 PolarHBondContact N-O 2.81Å; R412-K416 VanDerWaalsContact N-O 3.12Å; R412-E418 IonicContact CZ-OE1 3.47Å; R412-E418 IonicContact CZ-OE2 2.81Å; R412-E418 IonicContact NE-OE2 3.78Å; R412-E418 PolarHBondContact NE-OE2 2.78Å; R412-E418 IonicContact NH2-OE1 3.71Å; R412-E418 PolarHBondContact NH2-OE1 3.05Å; R412-E418 IonicContact NH2-OE2 2.66Å; R412-E418 PolarHBondContact NH2-OE2 3.38Å
413K67.1Low89.3Confident222 Ų22257 Ų5797%0.96531%0.313SS*.SBendtrans-52.4116.2174.1-78.3-173.2176.8-178.20110.1
414G70.9Confident89.3Confident74 Ų7457.6 Ų57.676%0.76332%0.316SS*.SBendtrans108.6-157-174.800000112.8R412R412-G414 PolarHBondContact O-N 3.47Å
415A71.1Confident89.2Confident109 Ų10957.6 Ų57.690%0.90132%0.316SS*.SBendtrans-95.112.4177.900000113.9
416K81.1Confident89.2Confident168 Ų16857.6 Ų57.673%0.7332%0.316SS*.  trans-90.2123.3179.4-75.3-171.3177-1740110.3R412R412-K416 PolarHBondContact N-O 2.81Å; R412-K416 VanDerWaalsContact N-O 3.12Å
417E88.2Confident89.2Confident94 Ų9458 Ų5844%0.43932%0.318SS..EExtended strand (participates in β ladder)trans-97.9142.5172.9-64-176156.800110.1R375 V409 H419R375-E417 IonicContact CZ-OE1 2.73Å; R375-E417 IonicContact CZ-OE2 3.18Å; R375-E417 VanDerWaalsContact CZ-OE2 3.27Å; R375-E417 IonicContact NH1-OE1 3.87Å; R375-E417 PolarHBondContact NH1-OE1 2.92Å; R375-E417 IonicContact NH1-OE2 2.77Å; R375-E417 PolarHBondContact NH1-OE2 2.72Å; R375-E417 IonicContact NH2-OE1 3.37Å; R375-E417 IonicContact NH2-OE2 3.35Å; R375-E417 PolarHBondContact NH2-OE2 2.84Å; V409-E417 HydrophobicContact CG1-CB 4.09Å; V409-E417 HydrophobicContact CG1-CG 4.2Å; E417-H419 IonicContact OE2-NE2 2.74Å
418E89.8Confident89.2Confident60 Ų6059.1 Ų59.128%0.2832%0.324SS..EExtended strand (participates in β ladder)trans-107.1128.5171177.9173.7-154.400108.9V409 K410 R412V409-E418 WeakPolarHBondContact CA-O 3.47Å; K410-E418 HydrophobicContact CB-CB 4.48Å; K410-E418 PolarHBondContact N-O 3.4Å; K410-E418 PolarHBondContact O-N 3.35Å; R412-E418 IonicContact CZ-OE1 3.47Å; R412-E418 IonicContact CZ-OE2 2.81Å; R412-E418 IonicContact NE-OE2 3.78Å; R412-E418 PolarHBondContact NE-OE2 2.78Å; R412-E418 IonicContact NH2-OE1 3.71Å; R412-E418 PolarHBondContact NH2-OE1 3.05Å; R412-E418 IonicContact NH2-OE2 2.66Å; R412-E418 PolarHBondContact NH2-OE2 3.38Å
419H94.3Very high89.4Confident63 Ų6358.8 Ų58.829%0.29232%0.321SS..EExtended strand (participates in β ladder)trans-111.9129.6179.8-65.3-103.1000109.3Y355 S408 E417 L455Y355-H419 AromaticContact CE1-ND1 3.68Å; Y355-H419 AromaticContact CZ-ND1 3.7Å; Y355-H419 PolarHBondContact OH-ND1 3.21Å; S408-H419 WeakPolarHBondContact O-CA 3.1Å; E417-H419 IonicContact OE2-NE2 2.74Å; H419-L455 HydrophobicContact CB-CD1 4.15Å; H419-L455 HydrophobicContact CB-CD2 3.84Å
420C94.1Very high89.5Confident51 Ų5158.7 Ų58.735%0.34532%0.321SS..EExtended strand (participates in β ladder)trans-134.2132.6176.6-700000110.8C407 S408C407-C420 CarbonylContact C-O 3.54Å; C407-C420 WeakPolarHBondContact CA-O 3.46Å; S408-C420 PolarHBondContact N-O 2.89Å; S408-C420 PolarHBondContact O-N 3.15Å; S408-C420 PolarHBondContact OG-O 2.78Å; S408-C420 VanDerWaalsContact OG-O 3.07Å
421P96.3Very high89.8Confident23 Ų2357.6 Ų57.615%0.14932%0.319CS..EExtended strand (participates in β ladder)trans-69.3142.5171.732.3-34.6000110V448P421-V448 HydrophobicContact CB-CG2 3.93Å; P421-V448 HydrophobicContact CG-CG1 4.02Å; P421-V448 HydrophobicContact CG-CG2 4.07Å
422L96.3Very high90.6Very high50 Ų5058.4 Ų58.426%0.26231%0.309SS..EExtended strand (participates in β ladder)trans-107.4-41.5179.6-58.9176.4000111.7V346 I354 I406V346-L422 HydrophobicContact CG1-CD1 3.47Å; V346-L422 VanDerWaalsContact CG1-CD1 3.47Å; V346-L422 HydrophobicContact CG1-CD2 3.83Å; V346-L422 HydrophobicContact CG1-CG 4.3Å; I354-L422 HydrophobicContact CG2-CD1 3.94Å; I406-L422 HydrophobicContact CG2-CD1 4.18Å; I406-L422 WeakPolarHBondContact O-CB 3.33Å; I406-L422 PolarHBondContact O-N 3.29Å
423A97.8Very high91.6Very high6 Ų653.8 Ų53.85%0.0530%0.296CS..EExtended strand (participates in β ladder)trans-157.1153.1177.200000109.2S405 I406 L445 W446S405-A423 CarbonylContact C-O 3.53Å; S405-A423 WeakPolarHBondContact CA-O 3.47Å; S405-A423 VanDerWaalsContact CB-O 3.31Å; S405-A423 WeakPolarHBondContact CB-O 3.46Å; I406-A423 PolarHBondContact N-O 2.86Å; A423-L445 HydrophobicContact CB-CB 3.7Å; A423-L445 HydrophobicContact CB-CD1 3.89Å; A423-L445 HydrophobicContact CB-CG 4.47Å; A423-W446 VanDerWaalsContact CA-O 3.3Å; A423-W446 WeakPolarHBondContact CA-O 3.16Å
424W98.2Very high92.9Very high13 Ų1347.7 Ų47.75%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-136.1162.8-175.468.1-83.8000112.2L404 N426 L445 W446 P447 N457 V461L404-W424 CarbonylContact O-C 3.38Å; L404-W424 WeakPolarHBondContact O-CA 3.41Å; W424-N426 WeakPolarHBondContact CZ3-ND2 3.12Å; W424-L445 WeakPolarHBondContact O-CA 3.25Å; W424-L445 WeakPolarHBondContact O-CB 3.24Å; W424-W446 HydrophobicContact CD2-CB 4.05Å; W424-W446 VanDerWaalsContact CE2-CB 3.48Å; W424-W446 HydrophobicContact CG-CB 4.42Å; W424-W446 HydrophobicContact CH2-CB 4.33Å; W424-W446 HydrophobicContact CH2-CG 4.18Å; W424-W446 HydrophobicContact CZ2-CB 3.66Å; W424-W446 AromaticContact CZ2-CG 3.95Å; W424-W446 HydrophobicContact CZ2-CG 3.95Å; W424-W446 PolarHBondContact N-O 2.68Å; W424-W446 PolarHBondContact O-N 3.18Å; W424-P447 PolarHBondContact NE1-O 3.17Å; W424-N457 HydrophobicContact CD2-CB 3.8Å; W424-N457 VanDerWaalsContact CE2-ND2 3.34Å; W424-N457 HydrophobicContact CE3-CB 3.91Å; W424-N457 HydrophobicContact CG-CB 4.06Å; W424-N457 VanDerWaalsContact CZ2-ND2 3.35Å; W424-N457 WeakPolarHBondContact CZ2-ND2 2.85Å; W424-V461 HydrophobicContact CH2-CG1 4.21Å; W424-V461 WeakPolarHBondContact CZ3-O 3.5Å
425G98.1Very high94.2Very high0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-166.9149173.700000111.5L404L404-G425 WeakPolarHBondContact CG-O 3.39Å; L404-G425 PolarHBondContact N-O 3.45Å; L404-G425 PolarHBondContact O-N 2.97Å
426N98.4Very high95.4Very high0 Ų040.9 Ų40.90%020%0.203CC..EExtended strand (participates in β ladder)trans-125.5141.8-178-59.7-25.1000110.2L402 C403 W424 N457 G460 T462 G463L402-N426 CarbonylContact O-C 3.56Å; L402-N426 VanDerWaalsContact O-CA 3.29Å; L402-N426 WeakPolarHBondContact O-CA 3.46Å; C403-N426 WeakPolarHBondContact CA-OD1 3.09Å; C403-N426 WeakPolarHBondContact CB-OD1 3.44Å; W424-N426 WeakPolarHBondContact CZ3-ND2 3.12Å; N426-N457 PolarHBondContact ND2-O 3.38Å; N426-G460 PolarHBondContact ND2-O 3.08Å; N426-T462 HydrophobicContact CB-CG2 4.02Å; N426-T462 WeakPolarHBondContact O-CA 3.28Å; N426-G463 PolarHBondContact O-N 2.89Å
427I98.5Very high96.1Very high10 Ų1034.2 Ų34.25%0.05118%0.176CC..EExtended strand (participates in β ladder)trans-128.4131.3-179.8-61.1162.6000108.8R401 L402 L429 M441 L443 L475 F477R401-I427 CarbonylContact C-O 3.45Å; R401-I427 VanDerWaalsContact CA-O 3.26Å; R401-I427 WeakPolarHBondContact CA-O 3.33Å; L402-I427 HydrophobicContact CB-CB 4.46Å; L402-I427 HydrophobicContact CD2-CD1 4.29Å; L402-I427 PolarHBondContact N-O 3.2Å; L402-I427 PolarHBondContact O-N 3.47Å; I427-L429 PolarHBondContact O-N 3.43Å; I427-M441 HydrophobicContact CD1-SD 3.56Å; I427-M441 VanDerWaalsContact CD1-SD 3.56Å; I427-M441 HydrophobicContact CG1-SD 4.06Å; I427-M441 HydrophobicContact CG2-CE 4.33Å; I427-M441 HydrophobicContact CG2-SD 4Å; I427-L443 HydrophobicContact CD1-CD1 4.23Å; I427-L443 HydrophobicContact CD1-CD2 3.83Å; I427-L443 HydrophobicContact CD1-CG 4.43Å; I427-L443 HydrophobicContact CG1-CD1 3.94Å; I427-L443 HydrophobicContact CG1-CD2 4Å; I427-L475 HydrophobicContact CD1-CD1 3.95Å; I427-F477 HydrophobicContact CD1-CZ 4.2Å; I427-F477 HydrophobicContact CG2-CZ 4.36Å
428N98.4Very high96.4Very high22 Ų2232.2 Ų32.212%0.11818%0.176CC..EExtended strand (participates in β ladder)trans-68.6129.3167.4-66-43.1000109R401 F430 V437 T462 Q643R401-N428 WeakPolarHBondContact CD-OD1 3.44Å; R401-N428 WeakPolarHBondContact CG-OD1 3.37Å; N428-F430 VanDerWaalsContact CB-O 3.28Å; N428-F430 WeakPolarHBondContact CB-O 3.33Å; N428-F430 PolarHBondContact O-N 3.48Å; N428-V437 WeakPolarHBondContact O-CG2 3.48Å; N428-T462 PolarHBondContact ND2-OG1 2.96Å; N428-Q643 PolarHBondContact ND2-O 3.22Å; N428-Q643 VanDerWaalsContact ND2-O 3.14Å; N428-Q643 PolarHBondContact OD1-NE2 2.71Å; N428-Q643 VanDerWaalsContact OD1-NE2 3.07Å
429L98.4Very high96.7Very high2 Ų230.3 Ų30.31%0.0117%0.172CC..SBendtrans-70-19.8178.9-68-175.9000112.6L334 I360 I396 A400 L402 I427 L436 V437 F477L334-L429 HydrophobicContact CD2-CD1 4.23Å; I360-L429 HydrophobicContact CG2-CD1 4.08Å; I396-L429 HydrophobicContact CG2-CD1 3.93Å; A400-L429 HydrophobicContact CB-CD1 3.89Å; A400-L429 HydrophobicContact CB-CG 4.46Å; A400-L429 PolarHBondContact O-N 2.69Å; L402-L429 HydrophobicContact CB-CD2 3.96Å; I427-L429 PolarHBondContact O-N 3.43Å; L429-L436 HydrophobicContact CB-CD1 4.46Å; L429-L436 WeakPolarHBondContact O-CA 3.48Å; L429-L436 WeakPolarHBondContact O-CD1 3.44Å; L429-V437 WeakPolarHBondContact O-CG2 3.46Å; L429-V437 PolarHBondContact O-N 3.27Å; L429-F477 HydrophobicContact CD2-CE1 4.01Å
430F98.3Very high96.8Very high1 Ų134.9 Ų34.90%0.00419%0.191CC..BIsolated β-bridgetrans-115.5143.7170.9-60.9-84.1000110.4L327 I396 P397 R398 N428 T435 L436 F486 Y644L327-F430 HydrophobicContact CD1-CE1 4.09Å; L327-F430 HydrophobicContact CD1-CZ 3.98Å; L327-F430 HydrophobicContact CD2-CE1 4.19Å; L327-F430 HydrophobicContact CD2-CZ 3.65Å; L327-F430 HydrophobicContact CG-CZ 4.42Å; I396-F430 HydrophobicContact CG2-CE2 3.74Å; I396-F430 HydrophobicContact CG2-CZ 4.17Å; P397-F430 WeakPolarHBondContact O-CE2 3.24Å; R398-F430 WeakPolarHBondContact O-CD2 3.47Å; N428-F430 VanDerWaalsContact CB-O 3.28Å; N428-F430 WeakPolarHBondContact CB-O 3.33Å; N428-F430 PolarHBondContact O-N 3.48Å; F430-T435 CarbonylContact C-O 3.55Å; F430-T435 VanDerWaalsContact CA-O 3.29Å; F430-T435 WeakPolarHBondContact CA-O 3.38Å; F430-L436 HydrophobicContact CD1-CB 4.14Å; F430-L436 HydrophobicContact CD1-CD1 4.27Å; F430-L436 HydrophobicContact CE1-CB 3.91Å; F430-L436 HydrophobicContact CE1-CD1 3.76Å; F430-L436 HydrophobicContact CE1-CG 4.45Å; F430-L436 HydrophobicContact CE2-CD1 4.48Å; F430-L436 HydrophobicContact CZ-CD1 3.86Å; F430-F486 HydrophobicContact CD1-CB 4.3Å; F430-F486 HydrophobicContact CE1-CB 4.18Å; F430-F486 HydrophobicContact CE1-CD2 4.12Å; F430-F486 HydrophobicContact CE2-CD2 4.14Å; F430-F486 AromaticContact CZ-CD2 3.85Å; F430-F486 HydrophobicContact CZ-CD2 3.85Å; F430-Y644 VanDerWaalsContact C-OH 3.32Å; F430-Y644 PolarHBondContact O-OH 2.97Å
431D96.2Very high97Very high58 Ų5835.4 Ų35.431%0.3119%0.189SC..  trans-81.1178.417072.516.7000112.5R398 T433 H434 T435 Y644R398-D431 PolarHBondContact NH2-O 2.84Å; D431-T433 PolarHBondContact O-N 2.97Å; D431-T433 VanDerWaalsContact O-N 3.16Å; D431-T433 VanDerWaalsContact OD1-CA 3.29Å; D431-T433 WeakPolarHBondContact OD1-CA 3.42Å; D431-T433 WeakPolarHBondContact OD1-CB 3.49Å; D431-T433 PolarHBondContact OD1-N 2.95Å; D431-T433 PolarHBondContact OD1-OG1 2.9Å; D431-T433 PolarHBondContact OD2-OG1 2.79Å; D431-H434 PolarHBondContact O-N 2.86Å; D431-H434 VanDerWaalsContact O-N 3.09Å; D431-H434 PolarHBondContact OD1-N 3.41Å; D431-T435 PolarHBondContact N-O 3.49Å; D431-T435 WeakPolarHBondContact OD1-CB 3.38Å; D431-T435 PolarHBondContact OD1-N 3.05Å; D431-T435 WeakPolarHBondContact OD2-CB 3.28Å; D431-Y644 PolarHBondContact O-OH 3.35Å; D431-Y644 VanDerWaalsContact O-OH 3.08Å
432Y96Very high97Very high61 Ų6137.2 Ų37.224%0.23921%0.206CC..THydrogen-bonded Turntrans-64.1-17-179.877.9-79.1000113.4E135 D138 H434 Y644E135-Y432 HydrophobicContact CB-CD1 3.67Å; E135-Y432 HydrophobicContact CB-CE1 3.82Å; E135-Y432 HydrophobicContact CB-CG 4.13Å; E135-Y432 HydrophobicContact CG-CD1 3.84Å; E135-Y432 HydrophobicContact CG-CD2 4.29Å; E135-Y432 HydrophobicContact CG-CE1 4.39Å; E135-Y432 HydrophobicContact CG-CG 3.78Å; D138-Y432 HydrophobicContact CB-CE2 4.27Å; D138-Y432 WeakPolarHBondContact OD2-CE2 3.32Å; D138-Y432 PolarHBondContact OD2-OH 3.05Å; Y432-H434 VanDerWaalsContact C-N 3.33Å; Y432-Y644 VanDerWaalsContact N-CE1 3.27Å
433T95.1Very high97.1Very high42 Ų4235 Ų3526%0.25819%0.194SC..THydrogen-bonded Turntrans-94.310.6177.575.60000113.3D431 T435D431-T433 PolarHBondContact O-N 2.97Å; D431-T433 VanDerWaalsContact O-N 3.16Å; D431-T433 VanDerWaalsContact OD1-CA 3.29Å; D431-T433 WeakPolarHBondContact OD1-CA 3.42Å; D431-T433 WeakPolarHBondContact OD1-CB 3.49Å; D431-T433 PolarHBondContact OD1-N 2.95Å; D431-T433 PolarHBondContact OD1-OG1 2.9Å; D431-T433 PolarHBondContact OD2-OG1 2.79Å; T433-T435 VanDerWaalsContact C-N 3.27Å; T433-T435 PolarHBondContact O-N 2.85Å; T433-T435 PolarHBondContact OG1-OG1 3.44Å
434H96.1Very high97.1Very high95 Ų9535.9 Ų35.944%0.4420%0.198SC..SBendtrans69.118.2-177-49.9-103.3000114.1R398 D431 Y432 K485 F486R398-H434 PolarHBondContact NE-ND1 2.77Å; D431-H434 PolarHBondContact O-N 2.86Å; D431-H434 VanDerWaalsContact O-N 3.09Å; D431-H434 PolarHBondContact OD1-N 3.41Å; Y432-H434 VanDerWaalsContact C-N 3.33Å; H434-K485 CarbonylContact O-C 3.58Å; H434-K485 VanDerWaalsContact O-CA 3.29Å; H434-K485 WeakPolarHBondContact O-CA 3.41Å; H434-F486 HydrophobicContact CB-CB 4.15Å; H434-F486 PolarHBondContact O-N 2.93Å
435T96.6Very high97.2Very high25 Ų2535.3 Ų35.315%0.15320%0.196CC..BIsolated β-bridgetrans-91.3131-179.2-51.70000110.5F430 D431 T433 P483 V484 K485F430-T435 CarbonylContact C-O 3.55Å; F430-T435 VanDerWaalsContact CA-O 3.29Å; F430-T435 WeakPolarHBondContact CA-O 3.38Å; D431-T435 PolarHBondContact N-O 3.49Å; D431-T435 WeakPolarHBondContact OD1-CB 3.38Å; D431-T435 PolarHBondContact OD1-N 3.05Å; D431-T435 WeakPolarHBondContact OD2-CB 3.28Å; T433-T435 VanDerWaalsContact C-N 3.27Å; T433-T435 PolarHBondContact O-N 2.85Å; T433-T435 PolarHBondContact OG1-OG1 3.44Å; T435-P483 HydrophobicContact CG2-CB 4.19Å; T435-V484 CarbonylContact C-O 3.49Å; T435-V484 WeakPolarHBondContact CA-O 3.27Å; T435-K485 WeakPolarHBondContact OG1-CE 3.29Å
436L97.4Very high97.1Very high15 Ų1536.2 Ų36.28%0.07920%0.2CC..BIsolated β-bridgetrans-65.6132.2174.8-175.873.8000109.7L327 L429 F430 A438 F480 V484L327-L436 HydrophobicContact CD1-CD1 4.35Å; L327-L436 HydrophobicContact CD1-CD2 4.04Å; L429-L436 HydrophobicContact CB-CD1 4.46Å; L429-L436 WeakPolarHBondContact O-CA 3.48Å; L429-L436 WeakPolarHBondContact O-CD1 3.44Å; F430-L436 HydrophobicContact CD1-CB 4.14Å; F430-L436 HydrophobicContact CD1-CD1 4.27Å; F430-L436 HydrophobicContact CE1-CB 3.91Å; F430-L436 HydrophobicContact CE1-CD1 3.76Å; F430-L436 HydrophobicContact CE1-CG 4.45Å; F430-L436 HydrophobicContact CE2-CD1 4.48Å; F430-L436 HydrophobicContact CZ-CD1 3.86Å; L436-A438 PolarHBondContact O-N 3.46Å; L436-F480 HydrophobicContact CD2-CE2 3.81Å; L436-V484 HydrophobicContact CB-CB 4.08Å; L436-V484 HydrophobicContact CB-CG1 4.27Å; L436-V484 HydrophobicContact CD2-CB 4.29Å; L436-V484 HydrophobicContact CD2-CG1 4.21Å; L436-V484 PolarHBondContact N-O 3.27Å
437V96.1Very high97Very high28 Ų2840.7 Ų40.717%0.1723%0.228CC..PPolyproline II helixtrans-62133.1178.5178.60000110.2N428 L429 M441 F477N428-V437 WeakPolarHBondContact O-CG2 3.48Å; L429-V437 WeakPolarHBondContact O-CG2 3.46Å; L429-V437 PolarHBondContact O-N 3.27Å; V437-M441 HydrophobicContact CG1-CE 3.79Å; V437-F477 HydrophobicContact CB-CD1 4.48Å; V437-F477 HydrophobicContact CB-CG 4.49Å; V437-F477 HydrophobicContact CG1-CD1 4.23Å; V437-F477 HydrophobicContact CG1-CD2 3.52Å; V437-F477 HydrophobicContact CG1-CE1 4.32Å; V437-F477 HydrophobicContact CG1-CE2 3.63Å; V437-F477 HydrophobicContact CG1-CG 3.84Å; V437-F477 HydrophobicContact CG1-CZ 4.04Å
438A94.8Very high96.8Very high52 Ų5242.2 Ų42.243%0.4324%0.238SC..  trans-141.5153-179.300000111.2L436 D478L436-A438 PolarHBondContact O-N 3.46Å; A438-D478 WeakPolarHBondContact CB-O 3.31Å
439G95.1Very high96.3Very high20 Ų2043.7 Ų43.721%0.20625%0.249CC..EExtended strand (participates in β ladder)trans78-161.2177.400000114.2F477G439-F477 PolarHBondContact N-O 3.23Å; G439-F477 PolarHBondContact O-N 2.94Å
440K96.9Very high95.6Very high158 Ų15851.7 Ų51.769%0.68729%0.286SS*.EExtended strand (participates in β ladder)trans-81.6139.5-173.3-68.1-174.9178.3-176.40112.3L475 E476K440-L475 CarbonylContact C-O 3.58Å; K440-L475 WeakPolarHBondContact CA-O 3.33Å; K440-E476 HydrophobicContact CG-CB 4.19Å; K440-E476 HydrophobicContact CG-CG 4.33Å
441M97.1Very high94.5Very high63 Ų6354.2 Ų54.231%0.3131%0.312SS..EExtended strand (participates in β ladder)trans-136.3137.7176.2-176.9176.1-7900110.3I427 V437 L475 F477I427-M441 HydrophobicContact CD1-SD 3.56Å; I427-M441 VanDerWaalsContact CD1-SD 3.56Å; I427-M441 HydrophobicContact CG1-SD 4.06Å; I427-M441 HydrophobicContact CG2-CE 4.33Å; I427-M441 HydrophobicContact CG2-SD 4Å; V437-M441 HydrophobicContact CG1-CE 3.79Å; M441-L475 PolarHBondContact N-O 2.96Å; M441-L475 PolarHBondContact O-N 3.43Å; M441-F477 HydrophobicContact CB-CE2 4.18Å; M441-F477 HydrophobicContact SD-CE2 4.18Å
442A97.8Very high93.9Very high60 Ų6053.4 Ų53.450%0.49631%0.308SS..EExtended strand (participates in β ladder)trans-104.8124.8169.600000108.8
443L98.2Very high93.4Very high3 Ų358.8 Ų58.82%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-119.7109-177.7-174.573.5000110L404 I427 L445 C472 L473 L475L404-L443 HydrophobicContact CD1-CD2 4.01Å; L404-L443 HydrophobicContact CD2-CD2 4.35Å; L404-L443 HydrophobicContact CG-CD2 4.39Å; I427-L443 HydrophobicContact CD1-CD1 4.23Å; I427-L443 HydrophobicContact CD1-CD2 3.83Å; I427-L443 HydrophobicContact CD1-CG 4.43Å; I427-L443 HydrophobicContact CG1-CD1 3.94Å; I427-L443 HydrophobicContact CG1-CD2 4Å; L443-L445 HydrophobicContact CD2-CD2 3.73Å; L443-L445 HydrophobicContact CG-CD2 4.07Å; L443-L445 PolarHBondContact O-N 3.2Å; L443-C472 WeakPolarHBondContact O-CA 3.32Å; L443-L473 PolarHBondContact N-O 2.74Å; L443-L473 PolarHBondContact O-N 3.38Å; L443-L475 HydrophobicContact CB-CD1 3.9Å; L443-L475 HydrophobicContact CD2-CD1 4.43Å
444N98.4Very high93.2Very high25 Ų2562.1 Ų62.113%0.13435%0.351CS..EExtended strand (participates in β ladder)trans-74.1125.7169.3-60.4-63.2000108.9S464 N465 C472N444-S464 WeakPolarHBondContact CB-OG 3.48Å; N444-S464 PolarHBondContact N-OG 2.87Å; N444-S464 VanDerWaalsContact N-OG 3.08Å; N444-S464 PolarHBondContact ND2-OG 2.72Å; N444-N465 HydrophobicContact CB-CB 3.96Å; N444-N465 VanDerWaalsContact O-CB 3.31Å; N444-N465 WeakPolarHBondContact O-CB 3.43Å; N444-N465 PolarHBondContact O-N 3.13Å; N444-C472 VanDerWaalsContact OD1-CB 3.26Å; N444-C472 WeakPolarHBondContact OD1-CB 3.28Å; N444-C472 PolarHBondContact OD1-SG 2.78Å
445L98.3Very high93.2Very high1 Ų159.6 Ų59.61%0.00534%0.341CS..PPolyproline II helixtrans-85.9157.2-172.6-57.4-179.7000112L404 I406 A423 W424 L443 N465 T470 P471 L473L404-L445 HydrophobicContact CD1-CD2 3.71Å; I406-L445 HydrophobicContact CD1-CD1 3.53Å; I406-L445 HydrophobicContact CG1-CD1 3.68Å; A423-L445 HydrophobicContact CB-CB 3.7Å; A423-L445 HydrophobicContact CB-CD1 3.89Å; A423-L445 HydrophobicContact CB-CG 4.47Å; W424-L445 WeakPolarHBondContact O-CA 3.25Å; W424-L445 WeakPolarHBondContact O-CB 3.24Å; L443-L445 HydrophobicContact CD2-CD2 3.73Å; L443-L445 HydrophobicContact CG-CD2 4.07Å; L443-L445 PolarHBondContact O-N 3.2Å; L445-N465 PolarHBondContact O-ND2 3.21Å; L445-T470 PolarHBondContact O-OG1 2.86Å; L445-T470 VanDerWaalsContact O-OG1 3.07Å; L445-P471 WeakPolarHBondContact CB-O 3.38Å; L445-P471 HydrophobicContact CD1-CB 4.45Å; L445-P471 WeakPolarHBondContact CG-O 3.49Å; L445-P471 PolarHBondContact N-O 2.77Å; L445-L473 HydrophobicContact CD1-CB 4.27Å; L445-L473 HydrophobicContact CD2-CB 4.3Å; L445-L473 HydrophobicContact CG-CB 4.37Å
446W97.5Very high93.2Very high20 Ų2059.1 Ų59.18%0.07634%0.337CS..EExtended strand (participates in β ladder)trans-93.2148.4176.7-62.596.8000111.2A423 W424 V461 G463 N465 P466 K678 T679A423-W446 VanDerWaalsContact CA-O 3.3Å; A423-W446 WeakPolarHBondContact CA-O 3.16Å; W424-W446 HydrophobicContact CD2-CB 4.05Å; W424-W446 VanDerWaalsContact CE2-CB 3.48Å; W424-W446 HydrophobicContact CG-CB 4.42Å; W424-W446 HydrophobicContact CH2-CB 4.33Å; W424-W446 HydrophobicContact CH2-CG 4.18Å; W424-W446 HydrophobicContact CZ2-CB 3.66Å; W424-W446 AromaticContact CZ2-CG 3.95Å; W424-W446 HydrophobicContact CZ2-CG 3.95Å; W424-W446 PolarHBondContact N-O 2.68Å; W424-W446 PolarHBondContact O-N 3.18Å; W446-V461 HydrophobicContact CZ2-CG1 3.99Å; W446-G463 PolarHBondContact NE1-O 3.41Å; W446-G463 VanDerWaalsContact NE1-O 3.16Å; W446-N465 HydrophobicContact CD2-CB 3.97Å; W446-N465 HydrophobicContact CE3-CB 4.2Å; W446-N465 HydrophobicContact CG-CB 4.45Å; W446-N465 HydrophobicContact CH2-CB 4.45Å; W446-N465 HydrophobicContact CZ2-CB 4.23Å; W446-N465 HydrophobicContact CZ3-CB 4.42Å; W446-P466 VanDerWaalsContact CH2-CD 3.41Å; W446-P466 HydrophobicContact CH2-CG 4.36Å; W446-K678 HydrophobicContact CH2-CB 4.41Å; W446-K678 HydrophobicContact CZ3-CB 4.1Å; W446-T679 HydrophobicContact CE3-CG2 4.01Å; W446-T679 HydrophobicContact CH2-CG2 3.97Å; W446-T679 HydrophobicContact CZ3-CG2 3.7Å
447P96.2Very high93.1Very high93 Ų9359.4 Ų59.460%0.60434%0.339SS*.EExtended strand (participates in β ladder)trans-66.3149.1169.929.6-34.5000110.9W424W424-P447 PolarHBondContact NE1-O 3.17Å
448V93.8Very high93Very high42 Ų4258.7 Ų58.726%0.25534%0.336SS..PPolyproline II helixtrans-67.9128.3176.8-177.50000109.8P421 L452P421-V448 HydrophobicContact CB-CG2 3.93Å; P421-V448 HydrophobicContact CG-CG1 4.02Å; P421-V448 HydrophobicContact CG-CG2 4.07Å; V448-L452 HydrophobicContact CG1-CB 4.19Å; V448-L452 HydrophobicContact CG1-CD2 4.33Å
449P88.9Confident92.8Very high53 Ų5358.5 Ų58.534%0.34433%0.327SS..PPolyproline II helixtrans-59.7149.6175.9-2334.1000112.6G451 L452P449-G451 PolarHBondContact O-N 2.91Å; P449-L452 HydrophobicContact CB-CB 4.36Å; P449-L452 HydrophobicContact CG-CD2 4.39Å; P449-L452 PolarHBondContact O-N 3.38Å
450H81.9Confident92.7Very high171 Ų17158.1 Ų58.179%0.79232%0.323SS*.THydrogen-bonded Turntrans-66.5119.1177.6-17974.7000110.9Q1014H450-Q1014 VanDerWaalsContact O-CD 3.27Å; H450-Q1014 PolarHBondContact O-NE2 3.11Å; H450-Q1014 PolarHBondContact O-OE1 2.88Å
451G76.8Confident92.6Very high54 Ų5452.1 Ų52.156%0.55730%0.299SS*.THydrogen-bonded Turntrans100.2-9.5179.400000114.4P449 E453P449-G451 PolarHBondContact O-N 2.91Å; G451-E453 PolarHBondContact O-N 2.96Å
452L83.4Confident92.5Very high40 Ų4050.7 Ų50.721%0.20929%0.294CS..  trans-76.9108.8173.8-172.172.1000110.5V448 P449 D454 N457V448-L452 HydrophobicContact CG1-CB 4.19Å; V448-L452 HydrophobicContact CG1-CD2 4.33Å; P449-L452 HydrophobicContact CB-CB 4.36Å; P449-L452 HydrophobicContact CG-CD2 4.39Å; P449-L452 PolarHBondContact O-N 3.38Å; L452-D454 HydrophobicContact CD1-CB 4.17Å; L452-N457 HydrophobicContact CD2-CB 3.69Å
453E85.6Confident92.3Very high175 Ų17549.3 Ų49.382%0.81829%0.286SS*.  trans-91.8-21.2175.2-63.2-171.4175.700112.7G451G451-E453 PolarHBondContact O-N 2.96Å
454D90.6Very high92.2Very high112 Ų11251.6 Ų51.660%0.59930%0.302SS*.SBendtrans-62.9142.5179.2-70.2-37.1000112.5L452 L456L452-D454 HydrophobicContact CD1-CB 4.17Å; D454-L456 VanDerWaalsContact C-N 3.27Å; D454-L456 PolarHBondContact O-N 3.18Å
455L96.1Very high92.1Very high42 Ų4250.9 Ų50.922%0.2230%0.299CS..SBendtrans-72.1-19.9-177.7-59.4-176000113.3S405 H419S405-L455 VanDerWaalsContact CB-O 3.26Å; S405-L455 WeakPolarHBondContact CB-O 3.13Å; S405-L455 PolarHBondContact OG-O 3.4Å; H419-L455 HydrophobicContact CB-CD1 4.15Å; H419-L455 HydrophobicContact CB-CD2 3.84Å
456L96.7Very high91.8Very high15 Ų1554.6 Ų54.68%0.07932%0.323CS..  trans-127.1147.7176-69.4178.9000109.5R357 Y361 N370 D454R357-L456 HydrophobicContact CB-CD2 4.34Å; R357-L456 HydrophobicContact CG-CD1 4.16Å; R357-L456 HydrophobicContact CG-CD2 4.05Å; R357-L456 HydrophobicContact CG-CG 4.02Å; Y361-L456 HydrophobicContact CE2-CD1 3.79Å; N370-L456 VanDerWaalsContact OD1-CD1 3.3Å; N370-L456 WeakPolarHBondContact OD1-CD1 3.36Å; D454-L456 VanDerWaalsContact C-N 3.27Å; D454-L456 PolarHBondContact O-N 3.18Å
457N95.1Very high91.5Very high20 Ų2057.6 Ų57.611%0.10734%0.34CS..  trans-113.275.8178-174.18000111W424 N426 L452 I459 G460W424-N457 HydrophobicContact CD2-CB 3.8Å; W424-N457 VanDerWaalsContact CE2-ND2 3.34Å; W424-N457 HydrophobicContact CE3-CB 3.91Å; W424-N457 HydrophobicContact CG-CB 4.06Å; W424-N457 VanDerWaalsContact CZ2-ND2 3.35Å; W424-N457 WeakPolarHBondContact CZ2-ND2 2.85Å; N426-N457 PolarHBondContact ND2-O 3.38Å; L452-N457 HydrophobicContact CD2-CB 3.69Å; N457-I459 VanDerWaalsContact C-N 3.3Å; N457-I459 PolarHBondContact O-N 3.02Å; N457-G460 PolarHBondContact O-N 2.88Å; N457-G460 PolarHBondContact OD1-N 2.96Å; N457-G460 VanDerWaalsContact OD1-N 3.14Å
458A93.9Very high91.3Very high13 Ų1361 Ų6111%0.10735%0.346CS..THydrogen-bonded Turntrans-67.3-28.4-176.500000113.4Y361 R401 G460Y361-A458 HydrophobicContact CD1-CB 3.7Å; Y361-A458 HydrophobicContact CE1-CB 3.97Å; Y361-A458 HydrophobicContact CG-CB 4.04Å; R401-A458 VanDerWaalsContact CZ-O 3.26Å; R401-A458 PolarHBondContact NH1-O 3.19Å; R401-A458 PolarHBondContact NH2-O 3.46Å; A458-G460 VanDerWaalsContact C-N 3.28Å; A458-G460 PolarHBondContact O-N 2.96Å
459I91.1Very high91.3Very high49 Ų4966.3 Ų66.325%0.25137%0.368SS..THydrogen-bonded Turntrans-73.5-23.9177.2-60.4173.4000111.3N457 C604 Y641N457-I459 VanDerWaalsContact C-N 3.3Å; N457-I459 PolarHBondContact O-N 3.02Å; I459-C604 HydrophobicContact CG2-CB 4.42Å; I459-Y641 HydrophobicContact CG2-CE1 4.09Å
460G92.1Very high91.6Very high12 Ų1264.6 Ų64.612%0.12436%0.356CS..SBendtrans-58.1153.7179.500000114.4N426 N457 A458N426-G460 PolarHBondContact ND2-O 3.08Å; N457-G460 PolarHBondContact O-N 2.88Å; N457-G460 PolarHBondContact OD1-N 2.96Å; N457-G460 VanDerWaalsContact OD1-N 3.14Å; A458-G460 VanDerWaalsContact C-N 3.28Å; A458-G460 PolarHBondContact O-N 2.96Å
461V94.4Very high92.4Very high31 Ų3157.4 Ų57.419%0.18833%0.325CS..PPolyproline II helixtrans-55.5151.1179.474.60000112.5W424 W446 T679W424-V461 HydrophobicContact CH2-CG1 4.21Å; W424-V461 WeakPolarHBondContact CZ3-O 3.5Å; W446-V461 HydrophobicContact CZ2-CG1 3.99Å; V461-T679 HydrophobicContact CG1-CG2 3.98Å
462T95.1Very high93.4Very high33 Ų3355.6 Ų55.620%0.20230%0.303CS..BIsolated β-bridgetrans-91.1153.817355.20000111.5R401 N426 N428R401-T462 HydrophobicContact CG-CG2 4.43Å; N426-T462 HydrophobicContact CB-CG2 4.02Å; N426-T462 WeakPolarHBondContact O-CA 3.28Å; N428-T462 PolarHBondContact ND2-OG1 2.96Å
463G94.5Very high94.1Very high32 Ų3253.7 Ų53.733%0.3329%0.293SS..SBendtrans101.3166.3178.300000114.3N426 W446N426-G463 PolarHBondContact O-N 2.89Å; W446-G463 PolarHBondContact NE1-O 3.41Å; W446-G463 VanDerWaalsContact NE1-O 3.16Å
464S95.6Very high94.7Very high50 Ų5049.2 Ų49.235%0.3527%0.273SS..  trans-70.8142.5-179.8179.10000111.2N444N444-S464 WeakPolarHBondContact CB-OG 3.48Å; N444-S464 PolarHBondContact N-OG 2.87Å; N444-S464 VanDerWaalsContact N-OG 3.08Å; N444-S464 PolarHBondContact ND2-OG 2.72Å
465N96.4Very high95.1Very high11 Ų1144 Ų446%0.05924%0.244CC..  trans-56.7129.9167-168.6-25.1000109.9N444 L445 W446 N467N444-N465 HydrophobicContact CB-CB 3.96Å; N444-N465 VanDerWaalsContact O-CB 3.31Å; N444-N465 WeakPolarHBondContact O-CB 3.43Å; N444-N465 PolarHBondContact O-N 3.13Å; L445-N465 PolarHBondContact O-ND2 3.21Å; W446-N465 HydrophobicContact CD2-CB 3.97Å; W446-N465 HydrophobicContact CE3-CB 4.2Å; W446-N465 HydrophobicContact CG-CB 4.45Å; W446-N465 HydrophobicContact CH2-CB 4.45Å; W446-N465 HydrophobicContact CZ2-CB 4.23Å; W446-N465 HydrophobicContact CZ3-CB 4.42Å; N465-N467 PolarHBondContact O-N 2.9Å; N465-N467 WeakPolarHBondContact OD1-CB 3.4Å; N465-N467 PolarHBondContact OD1-N 3.03Å
466P91.8Very high95.2Very high79 Ų7944.1 Ų44.151%0.51324%0.244SC..SBendtrans-68.7-20.3176.726.8-34.9000112.8W446 K468 K678W446-P466 VanDerWaalsContact CH2-CD 3.41Å; W446-P466 HydrophobicContact CH2-CG 4.36Å; P466-K468 PolarHBondContact O-N 3.3Å; P466-K678 HydrophobicContact CG-CB 4.25Å
467N91.9Very high95.3Very high82 Ų8243.8 Ų43.844%0.43924%0.242SC..  trans-76115.7171-175.910.8000109.9N465 E469 T470N465-N467 PolarHBondContact O-N 2.9Å; N465-N467 WeakPolarHBondContact OD1-CB 3.4Å; N465-N467 PolarHBondContact OD1-N 3.03Å; N467-E469 VanDerWaalsContact C-N 3.32Å; N467-E469 PolarHBondContact OD1-N 3.39Å; N467-T470 HydrophobicContact CB-CG2 3.95Å; N467-T470 PolarHBondContact O-OG1 3.02Å
468K91.4Very high95.2Very high165 Ų16544.5 Ų44.572%0.71725%0.246SC*.SBendtrans-80.2-13.1179.4-63.2-174.7179.1-178.50113.5P466 T470P466-K468 PolarHBondContact O-N 3.3Å; K468-T470 PolarHBondContact O-N 3.2Å
469E93.5Very high95Very high153 Ų15350.8 Ų50.872%0.71527%0.273SS*.SBendtrans-87.842.6175.4-55.6-58.3140.600110.9Y343 N467Y343-E469 VanDerWaalsContact OH-C 3.24Å; Y343-E469 PolarHBondContact OH-O 2.68Å; N467-E469 VanDerWaalsContact C-N 3.32Å; N467-E469 PolarHBondContact OD1-N 3.39Å
470T96.4Very high94.9Very high17 Ų1750.3 Ų50.310%0.10427%0.269CS..SBendtrans-126.8164.3175.173.10000110.4Y343 L445 N467 K468 C472Y343-T470 WeakPolarHBondContact CE1-O 3.43Å; Y343-T470 VanDerWaalsContact OH-C 3.24Å; Y343-T470 WeakPolarHBondContact OH-CA 3.05Å; Y343-T470 PolarHBondContact OH-N 2.94Å; L445-T470 PolarHBondContact O-OG1 2.86Å; L445-T470 VanDerWaalsContact O-OG1 3.07Å; N467-T470 HydrophobicContact CB-CG2 3.95Å; N467-T470 PolarHBondContact O-OG1 3.02Å; K468-T470 PolarHBondContact O-N 3.2Å; T470-C472 PolarHBondContact O-N 3.28Å; T470-C472 VanDerWaalsContact O-N 3.08Å
471P97.5Very high94.7Very high20 Ų2053.9 Ų53.913%0.1329%0.292CS..  trans-52.5119.3173.3-3038.6000110.9Y343 L445Y343-P471 HydrophobicContact CE2-CG 4.15Å; Y343-P471 WeakPolarHBondContact O-CB 3.46Å; L445-P471 WeakPolarHBondContact CB-O 3.38Å; L445-P471 HydrophobicContact CD1-CB 4.45Å; L445-P471 WeakPolarHBondContact CG-O 3.49Å; L445-P471 PolarHBondContact N-O 2.77Å
472C98.3Very high94.5Very high16 Ų1654.9 Ų54.911%0.10830%0.296CS..EExtended strand (participates in β ladder)trans-104.4119.7179.1-169.60000108.9A341 T342 L443 N444 T470A341-C472 CarbonylContact C-O 3.56Å; A341-C472 VanDerWaalsContact CA-O 3.23Å; A341-C472 WeakPolarHBondContact CA-O 3.44Å; T342-C472 HydrophobicContact CG2-CB 3.79Å; T342-C472 PolarHBondContact N-O 3.47Å; T342-C472 PolarHBondContact OG1-N 3.1Å; L443-C472 WeakPolarHBondContact O-CA 3.32Å; N444-C472 VanDerWaalsContact OD1-CB 3.26Å; N444-C472 WeakPolarHBondContact OD1-CB 3.28Å; N444-C472 PolarHBondContact OD1-SG 2.78Å; T470-C472 PolarHBondContact O-N 3.28Å; T470-C472 VanDerWaalsContact O-N 3.08Å
473L98.6Very high94.4Very high0 Ų055.6 Ų55.60%030%0.301CS..EExtended strand (participates in β ladder)trans-97.6123176.7-173.969.4000109.7I338 A341 V356 W383 L404 L443 L445 L475I338-L473 HydrophobicContact CG2-CD1 4.07Å; A341-L473 HydrophobicContact CB-CD1 4.11Å; V356-L473 HydrophobicContact CG1-CD2 4.08Å; V356-L473 HydrophobicContact CG2-CD1 4.07Å; W383-L473 HydrophobicContact CZ3-CD1 4.07Å; L404-L473 HydrophobicContact CD1-CD2 3.61Å; L404-L473 HydrophobicContact CD2-CD2 3.88Å; L404-L473 HydrophobicContact CG-CD2 4.38Å; L443-L473 PolarHBondContact N-O 2.74Å; L443-L473 PolarHBondContact O-N 3.38Å; L445-L473 HydrophobicContact CD1-CB 4.27Å; L445-L473 HydrophobicContact CD2-CB 4.3Å; L445-L473 HydrophobicContact CG-CB 4.37Å; L473-L475 HydrophobicContact CD2-CD1 4.36Å; L473-L475 HydrophobicContact CD2-CD2 4.18Å; L473-L475 HydrophobicContact CD2-CG 4.31Å; L473-L475 HydrophobicContact CG-CD1 4.4Å; L473-L475 HydrophobicContact CG-CG 4.29Å
474E98.5Very high94.5Very high82 Ų8254.2 Ų54.238%0.38329%0.286SS..EExtended strand (participates in β ladder)trans-91.3129.4172.9-68.1-173.4-162.300110.8L339 C340L339-E474 HydrophobicContact CB-CB 4.06Å; L339-E474 WeakPolarHBondContact CB-O 3.41Å; L339-E474 HydrophobicContact CD1-CB 4.15Å; L339-E474 PolarHBondContact N-O 2.97Å; C340-E474 PolarHBondContact O-N 3.34Å
475L98.1Very high94.6Very high1 Ų154.9 Ų54.91%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-125.9155.5-177.4-58.7124.2000109.8I336 R337 I338 L402 L404 I427 K440 M441 L443 L473 F477I336-L475 HydrophobicContact CG2-CD2 4.25Å; R337-L475 CarbonylContact O-C 3.59Å; R337-L475 WeakPolarHBondContact O-CA 3.2Å; I338-L475 HydrophobicContact CD1-CD2 3.45Å; I338-L475 VanDerWaalsContact CD1-CD2 3.45Å; L402-L475 HydrophobicContact CD2-CD2 4.39Å; L404-L475 HydrophobicContact CD2-CD1 4.22Å; L404-L475 HydrophobicContact CD2-CD2 3.61Å; I427-L475 HydrophobicContact CD1-CD1 3.95Å; K440-L475 CarbonylContact C-O 3.58Å; K440-L475 WeakPolarHBondContact CA-O 3.33Å; M441-L475 PolarHBondContact N-O 2.96Å; M441-L475 PolarHBondContact O-N 3.43Å; L443-L475 HydrophobicContact CB-CD1 3.9Å; L443-L475 HydrophobicContact CD2-CD1 4.43Å; L473-L475 HydrophobicContact CD2-CD1 4.36Å; L473-L475 HydrophobicContact CD2-CD2 4.18Å; L473-L475 HydrophobicContact CD2-CG 4.31Å; L473-L475 HydrophobicContact CG-CD1 4.4Å; L473-L475 HydrophobicContact CG-CG 4.29Å; L475-F477 HydrophobicContact CB-CE2 4.47Å
476E98.4Very high94.6Very high45 Ų4555.6 Ų55.621%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-134.4115.5171.6169.8174.9-128.700109.3R337 L339 W386 K440R337-E476 HydrophobicContact CB-CB 4.02Å; R337-E476 WeakPolarHBondContact CB-O 3.46Å; R337-E476 WeakPolarHBondContact CD-OE2 3.5Å; R337-E476 IonicContact CZ-OE2 2.91Å; R337-E476 PolarHBondContact N-O 3.14Å; R337-E476 IonicContact NE-OE2 3.65Å; R337-E476 IonicContact NH1-OE2 2.84Å; R337-E476 PolarHBondContact NH1-OE2 3.24Å; R337-E476 PolarHBondContact O-N 2.92Å; L339-E476 HydrophobicContact CD1-CB 4.21Å; L339-E476 HydrophobicContact CG-CB 4.45Å; W386-E476 HydrophobicContact CH2-CG 4.4Å; W386-E476 HydrophobicContact CZ2-CG 4.5Å; K440-E476 HydrophobicContact CG-CB 4.19Å; K440-E476 HydrophobicContact CG-CG 4.33Å
477F97.8Very high94.9Very high8 Ų852.4 Ų52.44%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-85155173.3-66.7-94.1000110.1I336 L402 I427 L429 V437 G439 M441 L475I336-F477 HydrophobicContact CD1-CD1 4.34Å; I336-F477 HydrophobicContact CD1-CE1 3.95Å; I336-F477 HydrophobicContact CG1-CD1 3.9Å; I336-F477 HydrophobicContact CG1-CE1 3.98Å; I336-F477 HydrophobicContact CG2-CD1 4.4Å; I336-F477 HydrophobicContact CG2-CE1 4.32Å; L402-F477 HydrophobicContact CD2-CE1 4.17Å; L402-F477 HydrophobicContact CD2-CZ 3.95Å; I427-F477 HydrophobicContact CD1-CZ 4.2Å; I427-F477 HydrophobicContact CG2-CZ 4.36Å; L429-F477 HydrophobicContact CD2-CE1 4.01Å; V437-F477 HydrophobicContact CB-CD1 4.48Å; V437-F477 HydrophobicContact CB-CG 4.49Å; V437-F477 HydrophobicContact CG1-CD1 4.23Å; V437-F477 HydrophobicContact CG1-CD2 3.52Å; V437-F477 HydrophobicContact CG1-CE1 4.32Å; V437-F477 HydrophobicContact CG1-CE2 3.63Å; V437-F477 HydrophobicContact CG1-CG 3.84Å; V437-F477 HydrophobicContact CG1-CZ 4.04Å; G439-F477 PolarHBondContact N-O 3.23Å; G439-F477 PolarHBondContact O-N 2.94Å; M441-F477 HydrophobicContact CB-CE2 4.18Å; M441-F477 HydrophobicContact SD-CE2 4.18Å; L475-F477 HydrophobicContact CB-CE2 4.47Å
478D94.1Very high95Very high36 Ų3653.2 Ų53.219%0.19327%0.269CS..  trans-58148.2178.5-143.7-7.2000111.7R335 A438 F480R335-D478 IonicContact CZ-OD1 3.85Å; R335-D478 IonicContact CZ-OD2 3.91Å; R335-D478 IonicContact NE-OD1 2.75Å; R335-D478 IonicContact NE-OD2 3.94Å; R335-D478 PolarHBondContact NE-OD2 3.06Å; R335-D478 IonicContact NH2-OD1 3.4Å; R335-D478 PolarHBondContact NH2-OD1 3.43Å; R335-D478 IonicContact NH2-OD2 3.99Å; R335-D478 PolarHBondContact NH2-OD2 3.08Å; R335-D478 VanDerWaalsContact NH2-OD2 3.16Å; A438-D478 WeakPolarHBondContact CB-O 3.31Å; D478-F480 HydrophobicContact CB-CE2 4.38Å; D478-F480 HydrophobicContact CB-CZ 4.1Å
479H89.8Confident95.1Very high145 Ų14547.9 Ų47.967%0.67125%0.247SC*.  trans-112.6126.6-178-171.777000110.4
480F89.3Confident95.2Very high38 Ų3844.6 Ų44.617%0.16724%0.239CC..  trans-106.7154.7177.8-55.2-75.9000110.5I330 I393 L436 D478 N482 V484I330-F480 HydrophobicContact CD1-CD1 4.13Å; I330-F480 HydrophobicContact CG2-CD1 4.13Å; I330-F480 HydrophobicContact CG2-CE1 3.51Å; I330-F480 HydrophobicContact CG2-CZ 4.05Å; I393-F480 HydrophobicContact CD1-CE1 4.29Å; I393-F480 HydrophobicContact CD1-CZ 3.83Å; L436-F480 HydrophobicContact CD2-CE2 3.81Å; D478-F480 HydrophobicContact CB-CE2 4.38Å; D478-F480 HydrophobicContact CB-CZ 4.1Å; F480-N482 PolarHBondContact O-N 3.47Å; F480-V484 HydrophobicContact CB-CG2 3.81Å; F480-V484 HydrophobicContact CD2-CB 4.5Å; F480-V484 HydrophobicContact CD2-CG2 3.54Å; F480-V484 HydrophobicContact CE2-CG2 4.3Å; F480-V484 HydrophobicContact CG-CG2 3.69Å
481S86.9Confident95.2Very high87 Ų8745.3 Ų45.361%0.60825%0.247SC*.SBendtrans-55.9-27.7-178.167.60000113.9K325K325-S481 PolarHBondContact NZ-OG 3.34Å
482N90.8Very high95.1Very high53 Ų5344.5 Ų44.528%0.28324%0.242SC..SBendtrans-137.4156.1179.4-68.4-29.8000109.1A323 K325 F480 V484A323-N482 WeakPolarHBondContact O-CB 3.33Å; A323-N482 PolarHBondContact O-ND2 3.27Å; K325-N482 HydrophobicContact CD-CB 4.32Å; K325-N482 HydrophobicContact CG-CB 4.12Å; F480-N482 PolarHBondContact O-N 3.47Å; N482-V484 PolarHBondContact O-N 3.37Å
483P93.1Very high95Very high47 Ų4746.2 Ų46.231%0.30525%0.248SC..  trans-54.8133.3170.2-22.733.1000111.2T324 K325 T435T324-P483 WeakPolarHBondContact CA-O 3.47Å; T324-P483 HydrophobicContact CG2-CB 4.42Å; K325-P483 PolarHBondContact N-O 2.75Å; T435-P483 HydrophobicContact CG2-CB 4.19Å
484V96.4Very high94.8Very high3 Ų352.2 Ų52.22%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-100.1125.2-179.2179.40000108.7K325 L327 I330 T435 L436 F480 N482K325-V484 CarbonylContact O-C 3.55Å; K325-V484 VanDerWaalsContact O-CA 3.31Å; K325-V484 WeakPolarHBondContact O-CA 3.5Å; L327-V484 VanDerWaalsContact CA-CG1 3.49Å; L327-V484 HydrophobicContact CB-CG1 4.08Å; L327-V484 HydrophobicContact CD1-CG1 3.94Å; I330-V484 HydrophobicContact CD1-CG2 3.89Å; I330-V484 HydrophobicContact CG1-CG1 3.98Å; I330-V484 HydrophobicContact CG1-CG2 4.04Å; T435-V484 CarbonylContact C-O 3.49Å; T435-V484 WeakPolarHBondContact CA-O 3.27Å; L436-V484 HydrophobicContact CB-CB 4.08Å; L436-V484 HydrophobicContact CB-CG1 4.27Å; L436-V484 HydrophobicContact CD2-CB 4.29Å; L436-V484 HydrophobicContact CD2-CG1 4.21Å; L436-V484 PolarHBondContact N-O 3.27Å; F480-V484 HydrophobicContact CB-CG2 3.81Å; F480-V484 HydrophobicContact CD2-CB 4.5Å; F480-V484 HydrophobicContact CD2-CG2 3.54Å; F480-V484 HydrophobicContact CE2-CG2 4.3Å; F480-V484 HydrophobicContact CG-CG2 3.69Å; N482-V484 PolarHBondContact O-N 3.37Å
485K96.7Very high94.7Very high65 Ų6549.7 Ų49.728%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-113.4148178.7-71.2-164.5171-165.30112.2T324 K325 L327 H434 T435T324-K485 HydrophobicContact CG2-CD 4.31Å; T324-K485 HydrophobicContact CG2-CG 4.49Å; K325-K485 PolarHBondContact O-N 2.87Å; L327-K485 PolarHBondContact N-O 3.3Å; H434-K485 CarbonylContact O-C 3.58Å; H434-K485 VanDerWaalsContact O-CA 3.29Å; H434-K485 WeakPolarHBondContact O-CA 3.41Å; T435-K485 WeakPolarHBondContact OG1-CE 3.29Å
486F97.9Very high94.5Very high26 Ų2649.6 Ų49.611%0.11426%0.264CS..PPolyproline II helixtrans-59139.8168.7-163.5-95.4000109.7L327 R398 F430 H434 I492L327-F486 HydrophobicContact CD2-CD2 4.01Å; L327-F486 HydrophobicContact CD2-CE2 4.3Å; R398-F486 HydrophobicContact CB-CD1 4.3Å; R398-F486 HydrophobicContact CB-CD2 4.15Å; R398-F486 HydrophobicContact CB-CE1 3.92Å; R398-F486 HydrophobicContact CB-CE2 3.78Å; R398-F486 HydrophobicContact CB-CG 4.42Å; R398-F486 HydrophobicContact CB-CZ 3.66Å; R398-F486 HydrophobicContact CG-CD1 4.42Å; R398-F486 HydrophobicContact CG-CE1 4.44Å; F430-F486 HydrophobicContact CD1-CB 4.3Å; F430-F486 HydrophobicContact CE1-CB 4.18Å; F430-F486 HydrophobicContact CE1-CD2 4.12Å; F430-F486 HydrophobicContact CE2-CD2 4.14Å; F430-F486 AromaticContact CZ-CD2 3.85Å; F430-F486 HydrophobicContact CZ-CD2 3.85Å; H434-F486 HydrophobicContact CB-CB 4.15Å; H434-F486 PolarHBondContact O-N 2.93Å; F486-I492 HydrophobicContact CE1-CD1 3.8Å
487P96.9Very high94.1Very high11 Ų1151 Ų517%0.07127%0.273CS..PPolyproline II helixtrans-59.2150179.526.6-37.6000111.9W328 A491 I492W328-P487 HydrophobicContact CD2-CB 4.19Å; W328-P487 HydrophobicContact CD2-CG 3.83Å; W328-P487 HydrophobicContact CE3-CB 4.14Å; W328-P487 HydrophobicContact CE3-CG 4.2Å; W328-P487 HydrophobicContact CG-CG 4.34Å; W328-P487 HydrophobicContact CH2-CG 4.24Å; W328-P487 HydrophobicContact CZ2-CG 3.85Å; W328-P487 HydrophobicContact CZ3-CB 4.35Å; W328-P487 HydrophobicContact CZ3-CG 4.37Å; P487-A491 HydrophobicContact CB-CB 4.3Å; P487-I492 HydrophobicContact CB-CG1 4.05Å; P487-I492 HydrophobicContact CG-CD1 4.16Å; P487-I492 HydrophobicContact CG-CG1 3.88Å
488D94.7Very high93.8Very high100 Ų10056.2 Ų56.254%0.53529%0.292SS..PPolyproline II helixtrans-79.2163.9173.362.4-2.7000111.4A491 I492D488-A491 PolarHBondContact O-N 3.27Å; D488-A491 WeakPolarHBondContact OD1-CB 3.39Å; D488-A491 PolarHBondContact OD1-N 2.67Å; D488-I492 WeakPolarHBondContact O-CG1 3.43Å; D488-I492 PolarHBondContact O-N 3.4Å
489M94Very high93.5Very high52 Ų5254.5 Ų54.526%0.25628%0.283SS..Hα-helixtrans-56.5-40.8-178.8-77.9-59.1-61.400113.9A491 I492 E493 Y584 M610M489-A491 PolarHBondContact O-N 3.41Å; M489-I492 PolarHBondContact O-N 3.18Å; M489-I492 HydrophobicContact SD-CD1 4.09Å; M489-E493 HydrophobicContact CE-CG 4.4Å; M489-E493 WeakPolarHBondContact O-CB 3.21Å; M489-E493 WeakPolarHBondContact O-CG 3.31Å; M489-E493 PolarHBondContact O-N 2.95Å; M489-Y584 HydrophobicContact SD-CD2 4.11Å; M489-M610 HydrophobicContact CE-CE 3.87Å; M489-M610 HydrophobicContact SD-CE 3.98Å; M489-M610 HydrophobicContact SD-SD 4.17Å
490P95.6Very high93.3Very high84 Ų8448.1 Ų48.155%0.54525%0.254SS..Hα-helixtrans-56.7-45.8175.1-27.536.2000113.8I492 E493 E494P490-I492 VanDerWaalsContact C-N 3.32Å; P490-I492 PolarHBondContact O-N 3.04Å; P490-E493 PolarHBondContact O-N 3.14Å; P490-E494 PolarHBondContact O-N 3.05Å
491A95.6Very high92.9Very high32 Ų3247.1 Ų47.126%0.26425%0.252SS..Hα-helixtrans-65.2-37.1176.400000112P487 D488 M489 E494 H495P487-A491 HydrophobicContact CB-CB 4.3Å; D488-A491 PolarHBondContact O-N 3.27Å; D488-A491 WeakPolarHBondContact OD1-CB 3.39Å; D488-A491 PolarHBondContact OD1-N 2.67Å; M489-A491 PolarHBondContact O-N 3.41Å; A491-E494 PolarHBondContact O-N 3.2Å; A491-H495 WeakPolarHBondContact O-CB 3.31Å; A491-H495 PolarHBondContact O-N 3.43Å
492I96.5Very high92.7Very high4 Ų449.6 Ų49.62%0.02125%0.248CC..Hα-helixtrans-64.7-44.4176.7-63.6166.1000111.3W328 F486 P487 D488 M489 P490 H495 A496 A581 Y584W328-I492 HydrophobicContact CH2-CB 4.11Å; W328-I492 HydrophobicContact CH2-CG1 3.73Å; W328-I492 HydrophobicContact CH2-CG2 4.33Å; W328-I492 HydrophobicContact CZ2-CG1 4.21Å; W328-I492 HydrophobicContact CZ3-CG1 4.32Å; F486-I492 HydrophobicContact CE1-CD1 3.8Å; P487-I492 HydrophobicContact CB-CG1 4.05Å; P487-I492 HydrophobicContact CG-CD1 4.16Å; P487-I492 HydrophobicContact CG-CG1 3.88Å; D488-I492 WeakPolarHBondContact O-CG1 3.43Å; D488-I492 PolarHBondContact O-N 3.4Å; M489-I492 PolarHBondContact O-N 3.18Å; M489-I492 HydrophobicContact SD-CD1 4.09Å; P490-I492 VanDerWaalsContact C-N 3.32Å; P490-I492 PolarHBondContact O-N 3.04Å; I492-H495 PolarHBondContact O-N 2.98Å; I492-A496 WeakPolarHBondContact O-CB 3.25Å; I492-A496 PolarHBondContact O-N 3.19Å; I492-A581 HydrophobicContact CG2-CB 3.7Å; I492-Y584 HydrophobicContact CD1-CD2 4.11Å; I492-Y584 HydrophobicContact CD1-CE2 4.18Å; I492-Y584 HydrophobicContact CG2-CD2 4.02Å
493E95.3Very high92Very high52 Ų5251.9 Ų51.924%0.24326%0.257CS..Hα-helixtrans-63.9-41.9177.6-72.9175.9-165.300111.6M489 P490 H495 A496 N497 K588M489-E493 HydrophobicContact CE-CG 4.4Å; M489-E493 WeakPolarHBondContact O-CB 3.21Å; M489-E493 WeakPolarHBondContact O-CG 3.31Å; M489-E493 PolarHBondContact O-N 2.95Å; P490-E493 PolarHBondContact O-N 3.14Å; E493-H495 PolarHBondContact O-N 3.41Å; E493-A496 PolarHBondContact O-N 3.33Å; E493-N497 WeakPolarHBondContact O-CB 3.3Å; E493-N497 VanDerWaalsContact O-CG 3.26Å; E493-N497 PolarHBondContact O-N 2.86Å; E493-N497 PolarHBondContact O-ND2 2.97Å; E493-K588 IonicContact OE1-NZ 3.75Å; E493-K588 PolarHBondContact OE1-NZ 3.43Å; E493-K588 IonicContact OE2-NZ 3.55Å; E493-K588 PolarHBondContact OE2-NZ 2.82Å
494E95.3Very high90.8Very high126 Ų12652.5 Ų52.559%0.58926%0.257SS*.Hα-helixtrans-60.3-45.5175.3-171.6-179.8-179.900111.6P490 A491 N497 W498P490-E494 PolarHBondContact O-N 3.05Å; A491-E494 PolarHBondContact O-N 3.2Å; E494-N497 PolarHBondContact O-N 3.27Å; E494-W498 WeakPolarHBondContact O-CB 3.33Å; E494-W498 PolarHBondContact O-N 3.45Å
495H95.4Very high89.1Confident28 Ų2855.7 Ų55.713%0.1329%0.29CS..Hα-helixtrans-65.3-42.3177.7-173.572000112.5W328 A491 I492 E493 W498 N499 D578W328-H495 HydrophobicContact CE3-CB 4.37Å; W328-H495 HydrophobicContact CH2-CB 3.78Å; W328-H495 AromaticContact CH2-CD2 3.81Å; W328-H495 AromaticContact CH2-CG 3.9Å; W328-H495 HydrophobicContact CZ3-CB 3.42Å; W328-H495 VanDerWaalsContact CZ3-CB 3.42Å; W328-H495 AromaticContact CZ3-CG 3.71Å; A491-H495 WeakPolarHBondContact O-CB 3.31Å; A491-H495 PolarHBondContact O-N 3.43Å; I492-H495 PolarHBondContact O-N 2.98Å; E493-H495 PolarHBondContact O-N 3.41Å; H495-W498 PolarHBondContact O-N 2.71Å; H495-N499 PolarHBondContact CD2-ND2 3.27Å; H495-N499 VanDerWaalsContact CD2-ND2 3.33Å; H495-N499 PolarHBondContact NE2-ND2 3.37Å; H495-N499 PolarHBondContact O-N 2.95Å; H495-N499 PolarHBondContact O-ND2 3.03Å; H495-D578 IonicContact CD2-OD1 3.96Å; H495-D578 IonicContact CE1-OD1 2.7Å; H495-D578 PolarHBondContact CE1-OD1 3.43Å; H495-D578 IonicContact NE2-OD1 3.78Å; H495-D578 PolarHBondContact NE2-OD1 3.06Å
496A94.1Very high87.1Confident0 Ų059.3 Ų59.30%031%0.306CS..Hα-helixtrans-60.4-46.7175.300000111.7I492 E493 W498 N499 I500 A581 Q582 C585I492-A496 WeakPolarHBondContact O-CB 3.25Å; I492-A496 PolarHBondContact O-N 3.19Å; E493-A496 PolarHBondContact O-N 3.33Å; A496-W498 VanDerWaalsContact C-N 3.33Å; A496-W498 PolarHBondContact O-N 3.09Å; A496-N499 PolarHBondContact O-N 3.18Å; A496-I500 VanDerWaalsContact O-CG1 3.29Å; A496-I500 WeakPolarHBondContact O-CG1 3.43Å; A496-I500 PolarHBondContact O-N 3.31Å; A496-A581 HydrophobicContact CB-CB 3.97Å; A496-A581 WeakPolarHBondContact CB-O 3.44Å; A496-Q582 HydrophobicContact CB-CG 4.4Å; A496-C585 WeakPolarHBondContact CB-SG 3.33Å
497N90.6Very high84.5Confident75 Ų7566 Ų6640%0.40134%0.344SS..Hα-helixtrans-63.4-38.9178.2-73.6-43.2000112.3E493 E494 S501E493-N497 WeakPolarHBondContact O-CB 3.3Å; E493-N497 VanDerWaalsContact O-CG 3.26Å; E493-N497 PolarHBondContact O-N 2.86Å; E493-N497 PolarHBondContact O-ND2 2.97Å; E494-N497 PolarHBondContact O-N 3.27Å; N497-S501 WeakPolarHBondContact O-CB 3.44Å; N497-S501 PolarHBondContact O-N 3.44Å; N497-S501 PolarHBondContact O-OG 2.91Å
498W91.4Very high81.7Confident116 Ų11671.3 Ų71.344%0.43936%0.363SS..Hα-helixtrans-62.7-45.6174.6178.481.5000111.8E494 H495 A496 S501 R502 Y508E494-W498 WeakPolarHBondContact O-CB 3.33Å; E494-W498 PolarHBondContact O-N 3.45Å; H495-W498 PolarHBondContact O-N 2.71Å; A496-W498 VanDerWaalsContact C-N 3.33Å; A496-W498 PolarHBondContact O-N 3.09Å; W498-S501 PolarHBondContact O-N 3.47Å; W498-R502 PolarHBondContact O-N 2.84Å; W498-Y508 HydrophobicContact CB-CE2 4.08Å
499N88.3Confident79.2Confident0 Ų071.1 Ų71.10%037%0.369CS..Hα-helixtrans-63.2-45.2177.6-85.1-38000113.1H495 A496 S501 R502 E503 D578H495-N499 PolarHBondContact CD2-ND2 3.27Å; H495-N499 VanDerWaalsContact CD2-ND2 3.33Å; H495-N499 PolarHBondContact NE2-ND2 3.37Å; H495-N499 PolarHBondContact O-N 2.95Å; H495-N499 PolarHBondContact O-ND2 3.03Å; A496-N499 PolarHBondContact O-N 3.18Å; N499-S501 VanDerWaalsContact C-N 3.29Å; N499-S501 PolarHBondContact O-N 3.42Å; N499-R502 WeakPolarHBondContact O-CB 3.25Å; N499-R502 PolarHBondContact O-N 2.84Å; N499-R502 VanDerWaalsContact O-N 3.14Å; N499-R502 PolarHBondContact OD1-NH2 3.31Å; N499-R502 VanDerWaalsContact OD1-NH2 3.1Å; N499-E503 PolarHBondContact O-N 3.39Å; N499-D578 WeakPolarHBondContact ND2-CA 3.34Å; N499-D578 WeakPolarHBondContact ND2-CB 3.44Å; N499-D578 PolarHBondContact ND2-OD1 3.33Å; N499-D578 PolarHBondContact OD1-OD2 3.36Å
500I83.9Confident76.8Confident12 Ų1275.6 Ų75.66%0.06239%0.388CS..Hα-helixtrans-59.3-43.7176.1-67.8165.7000110.2A496 R502 E503 L504 L517 Q582A496-I500 VanDerWaalsContact O-CG1 3.29Å; A496-I500 WeakPolarHBondContact O-CG1 3.43Å; A496-I500 PolarHBondContact O-N 3.31Å; I500-R502 VanDerWaalsContact C-N 3.3Å; I500-R502 PolarHBondContact O-N 3.27Å; I500-E503 PolarHBondContact O-N 3.48Å; I500-L504 HydrophobicContact CG2-CD1 3.65Å; I500-L504 WeakPolarHBondContact O-CD1 3.2Å; I500-L504 VanDerWaalsContact O-CG 3.23Å; I500-L504 WeakPolarHBondContact O-CG 3.35Å; I500-L504 PolarHBondContact O-N 3.18Å; I500-L504 VanDerWaalsContact O-N 3.15Å; I500-L517 HydrophobicContact CG2-CD1 4.17Å; I500-Q582 HydrophobicContact CD1-CG 4.26Å; I500-Q582 HydrophobicContact CG1-CG 4.01Å
501S82.6Confident74.1Confident17 Ų1778.6 Ų78.612%0.11941%0.405CS..Hα-helixtrans-61.9-39.1177.3-56.70000112N497 W498 N499 L504 G505 F506N497-S501 WeakPolarHBondContact O-CB 3.44Å; N497-S501 PolarHBondContact O-N 3.44Å; N497-S501 PolarHBondContact O-OG 2.91Å; W498-S501 PolarHBondContact O-N 3.47Å; N499-S501 VanDerWaalsContact C-N 3.29Å; N499-S501 PolarHBondContact O-N 3.42Å; S501-L504 PolarHBondContact O-N 2.88Å; S501-G505 PolarHBondContact O-N 3.43Å; S501-F506 PolarHBondContact O-N 3.06Å
502R80.9Confident71.8Confident139 Ų13979.4 Ų79.453%0.52542%0.417SS..Hα-helixtrans-65.8-44175.9-172.7-177.570.7-178.5-3.7112.3W498 N499 I500 L504 G505 D578W498-R502 PolarHBondContact O-N 2.84Å; N499-R502 WeakPolarHBondContact O-CB 3.25Å; N499-R502 PolarHBondContact O-N 2.84Å; N499-R502 VanDerWaalsContact O-N 3.14Å; N499-R502 PolarHBondContact OD1-NH2 3.31Å; N499-R502 VanDerWaalsContact OD1-NH2 3.1Å; I500-R502 VanDerWaalsContact C-N 3.3Å; I500-R502 PolarHBondContact O-N 3.27Å; R502-L504 PolarHBondContact O-N 2.95Å; R502-G505 PolarHBondContact O-N 3.41Å; R502-D578 IonicContact CZ-OD2 2.96Å; R502-D578 IonicContact NH2-OD2 3.82Å; R502-D578 PolarHBondContact NH2-OD2 3.4Å
503E77.1Confident69.7Low101 Ų10181.5 Ų81.547%0.47243%0.428SS..Hα-helixtrans-61.2-32.3176.9-75.4179.2-153.400112.1N499 I500 R555 Q582N499-E503 PolarHBondContact O-N 3.39Å; I500-E503 PolarHBondContact O-N 3.48Å; E503-R555 IonicContact OE1-NH2 2.77Å; E503-R555 IonicContact OE2-CZ 3.42Å; E503-R555 IonicContact OE2-NH2 3.88Å; E503-R555 PolarHBondContact OE2-NH2 2.88Å; E503-Q582 PolarHBondContact OE1-NE2 3.29Å
504L67.3Low67.3Low59 Ų5981.5 Ų81.531%0.30943%0.434SS..Hα-helixtrans-95.5-7.6-176.1-60.5166000114.5I500 S501 R502 F506 L513 L517I500-L504 HydrophobicContact CG2-CD1 3.65Å; I500-L504 WeakPolarHBondContact O-CD1 3.2Å; I500-L504 VanDerWaalsContact O-CG 3.23Å; I500-L504 WeakPolarHBondContact O-CG 3.35Å; I500-L504 PolarHBondContact O-N 3.18Å; I500-L504 VanDerWaalsContact O-N 3.15Å; S501-L504 PolarHBondContact O-N 2.88Å; R502-L504 PolarHBondContact O-N 2.95Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 HydrophobicContact CB-CD2 3.6Å; L504-F506 HydrophobicContact CB-CE2 4.05Å; L504-F506 PolarHBondContact O-N 2.89Å; L504-L513 HydrophobicContact CD1-CD2 3.77Å; L504-L517 HydrophobicContact CD1-CD1 4.13Å; L504-L517 HydrophobicContact CD1-CD2 3.55Å; L504-L517 HydrophobicContact CD1-CG 4.29Å; L504-L517 HydrophobicContact CD2-CD2 3.36Å; L504-L517 HydrophobicContact CG-CD2 4.06Å
505G61.9Low64.7Low70 Ų7081.8 Ų81.872%0.72244%0.44SS*.THydrogen-bonded Turntrans6920.5-178.900000115.2S501 R502S501-G505 PolarHBondContact O-N 3.43Å; R502-G505 PolarHBondContact O-N 3.41Å
506F54.2Low62.3Low141 Ų14188 Ų8862%0.61846%0.462SS*.  trans-99.9144.7178.3-67.4-67.3000112.5S501 L504S501-F506 PolarHBondContact O-N 3.06Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 HydrophobicContact CB-CD2 3.6Å; L504-F506 HydrophobicContact CB-CE2 4.05Å; L504-F506 PolarHBondContact O-N 2.89Å
507N43.9Very low60.3Low168 Ų16889.8 Ų89.890%0.89847%0.471SS*.  trans-76.5144.2170.6-83.5-19.8000111.7C509N507-C509 PolarHBondContact O-N 3.1Å
508Y38Very low58.5Low122 Ų12288.5 Ų88.548%0.47847%0.471SS..SBendtrans-51.2115.3-169.1-142.9-95.4000114.7W498W498-Y508 HydrophobicContact CB-CE2 4.08Å
509C42.4Very low56.4Low96 Ų9693 Ų9365%0.64949%0.488SS*.  trans161.1121145.6-90.30000109.7N507N507-C509 PolarHBondContact O-N 3.1Å
510H42.1Very low54.7Low145 Ų14598.9 Ų98.967%0.67152%0.519SS*.  trans162.6127.2137.4-82.1-51.3000111.5
511T38.7Very low53.4Low147 Ų147104.9 Ų104.990%0.90255%0.552SS**THydrogen-bonded Turntrans-63.2130.2166.940.50000111.1
512G48.8Very low52.5Low50 Ų50109.6 Ų109.652%0.51558%0.582SS.*THydrogen-bonded Turntrans111.519.7175.400000117.1
513L51.6Low52.2Low47 Ų47104.8 Ų104.825%0.24657%0.566CS.*Hα-helixtrans-62.2-38.5-177.9-97.1139.4000114.8L504 N515 R516 L517L504-L513 HydrophobicContact CD1-CD2 3.77Å; L513-N515 VanDerWaalsContact C-N 3.29Å; L513-N515 PolarHBondContact O-N 3.11Å; L513-R516 PolarHBondContact O-N 3.24Å; L513-L517 HydrophobicContact CB-CD1 4.46Å; L513-L517 HydrophobicContact CD2-CD1 4.43Å; L513-L517 WeakPolarHBondContact O-CG 3.26Å; L513-L517 PolarHBondContact O-N 3.05Å
514S44.5Very low52.5Low53 Ų53103.6 Ų103.637%0.37157%0.566SS.*Hα-helixtrans-56.8-38.7-176.6-54.60000113.5
515N42.1Very low53.3Low132 Ų132107.4 Ų107.471%0.70659%0.587SS**Hα-helixtrans-77.8-18.6178.4-76.6-21.2000113.7L513L513-N515 VanDerWaalsContact C-N 3.29Å; L513-N515 PolarHBondContact O-N 3.11Å
516R45Very low54.6Low157 Ų157107.8 Ų107.859%0.59258%0.578SS**Hα-helixtrans-85.2-38.6174.6-68.7-172.5-175.3-179.62.5111.3L513 A518 R519 D520L513-R516 PolarHBondContact O-N 3.24Å; R516-A518 VanDerWaalsContact C-N 3.35Å; R516-A518 PolarHBondContact O-N 3.16Å; R516-R519 WeakPolarHBondContact O-CB 3.45Å; R516-R519 PolarHBondContact O-N 2.85Å; R516-D520 PolarHBondContact O-N 2.8Å
517L51.3Low56.2Low38 Ų38102.8 Ų102.820%0.19956%0.558CS.*Hα-helixtrans-61.8-37.3-178.8-74.1164.2000114.1I500 L504 L513 R519 D520I500-L517 HydrophobicContact CG2-CD1 4.17Å; L504-L517 HydrophobicContact CD1-CD1 4.13Å; L504-L517 HydrophobicContact CD1-CD2 3.55Å; L504-L517 HydrophobicContact CD1-CG 4.29Å; L504-L517 HydrophobicContact CD2-CD2 3.36Å; L504-L517 HydrophobicContact CG-CD2 4.06Å; L513-L517 HydrophobicContact CB-CD1 4.46Å; L513-L517 HydrophobicContact CD2-CD1 4.43Å; L513-L517 WeakPolarHBondContact O-CG 3.26Å; L513-L517 PolarHBondContact O-N 3.05Å; L517-R519 PolarHBondContact O-N 2.87Å; L517-D520 PolarHBondContact O-N 2.91Å
518A52.1Low58.3Low48 Ų4896.2 Ų96.240%0.39752%0.523SS..Hα-helixtrans-66.5-13.5173.800000113.6R516R516-A518 VanDerWaalsContact C-N 3.35Å; R516-A518 PolarHBondContact O-N 3.16Å
519R48.9Very low60.8Low212 Ų21296.4 Ų96.480%0.853%0.528SS*.Hα-helixtrans-97.1-23.8-179.8-65.7-175.8-179.1-163.8-1.2113.9R516 L517R516-R519 WeakPolarHBondContact O-CB 3.45Å; R516-R519 PolarHBondContact O-N 2.85Å; L517-R519 PolarHBondContact O-N 2.87Å
520D51.3Low63.1Low122 Ų12295 Ų9565%0.65251%0.512SS*.Hα-helixtrans-89.1-18.5-171.8-71.6-22.9000114.1R516 L517R516-D520 PolarHBondContact O-N 2.8Å; L517-D520 PolarHBondContact O-N 2.91Å
521N56.8Low65.6Low139 Ų13988 Ų8874%0.74348%0.48SS*.SBendtrans-120.499.6169-88.9-13.3000110L523N521-L523 PolarHBondContact O-N 3.34Å
522P63.7Low68Low116 Ų11688.8 Ų88.875%0.75347%0.466SS*.PPolyproline II helixtrans-66.4120.4177.426.4-31.2000109.7
523L74.2Confident70Confident37 Ų3791.1 Ų91.119%0.19447%0.466CS..PPolyproline II helixtrans-57.5138.9169.8-79.5149.2000110N521 D527 L531 H554 Y557N521-L523 PolarHBondContact O-N 3.34Å; L523-D527 HydrophobicContact CB-CB 4.42Å; L523-D527 HydrophobicContact CD2-CB 3.44Å; L523-D527 VanDerWaalsContact CD2-CB 3.44Å; L523-L531 HydrophobicContact CD2-CD1 4.39Å; L523-H554 WeakPolarHBondContact CD2-CD2 3.34Å; L523-Y557 HydrophobicContact CD1-CD1 3.35Å; L523-Y557 HydrophobicContact CD1-CD2 3.18Å; L523-Y557 HydrophobicContact CD1-CE1 3.57Å; L523-Y557 HydrophobicContact CD1-CE2 3.4Å; L523-Y557 HydrophobicContact CD1-CG 3.14Å
524T84Confident72Confident76 Ų7689 Ų8947%0.46646%0.455SS..PPolyproline II helixtrans-73157.1168.169.30000109.7S526 D527 N528T524-S526 PolarHBondContact O-N 2.9Å; T524-D527 WeakPolarHBondContact CB-OD2 3.36Å; T524-D527 PolarHBondContact N-OD2 2.92Å; T524-D527 PolarHBondContact O-N 3.4Å; T524-D527 PolarHBondContact OG1-N 2.83Å; T524-D527 PolarHBondContact OG1-OD2 3.46Å; T524-N528 PolarHBondContact O-N 3.47Å
525D83.6Confident74.2Confident140 Ų14087.2 Ų87.275%0.74944%0.443SS*.Hα-helixtrans-57.8-32.1173.5-70.7-32.1000111.7N528 E529D525-N528 PolarHBondContact O-N 3.14Å; D525-E529 PolarHBondContact O-N 2.85Å
526S89Confident76.5Confident78 Ų7887 Ų8755%0.54544%0.441SS..Hα-helixtrans-63.6-41.3174.2-173.40000112.5T524 N528 E529 Q530T524-S526 PolarHBondContact O-N 2.9Å; S526-N528 VanDerWaalsContact C-N 3.35Å; S526-E529 PolarHBondContact O-N 3.31Å; S526-Q530 WeakPolarHBondContact O-CB 3.21Å; S526-Q530 PolarHBondContact O-N 3.26Å
527D88.9Confident78.8Confident35 Ų3583.6 Ų83.619%0.18743%0.429CS..Hα-helixtrans-66.2-40.6178.3-59.1-47.6000110.8L523 T524 E529 Q530 L531 F550L523-D527 HydrophobicContact CB-CB 4.42Å; L523-D527 HydrophobicContact CD2-CB 3.44Å; L523-D527 VanDerWaalsContact CD2-CB 3.44Å; T524-D527 WeakPolarHBondContact CB-OD2 3.36Å; T524-D527 PolarHBondContact N-OD2 2.92Å; T524-D527 PolarHBondContact O-N 3.4Å; T524-D527 PolarHBondContact OG1-N 2.83Å; T524-D527 PolarHBondContact OG1-OD2 3.46Å; D527-E529 VanDerWaalsContact C-N 3.35Å; D527-E529 PolarHBondContact O-N 3.47Å; D527-Q530 PolarHBondContact O-N 3.33Å; D527-L531 WeakPolarHBondContact O-CG 3.46Å; D527-L531 PolarHBondContact O-N 2.94Å; D527-F550 HydrophobicContact CB-CE2 4.22Å; D527-F550 HydrophobicContact CB-CZ 4.12Å
528N87.4Confident80.9Confident30 Ų3082.3 Ų82.316%0.1642%0.422CS..Hα-helixtrans-62.7-41.4176.1-75.4-39.4000112.1T524 D525 S526 R532 Y557T524-N528 PolarHBondContact O-N 3.47Å; D525-N528 PolarHBondContact O-N 3.14Å; S526-N528 VanDerWaalsContact C-N 3.35Å; N528-R532 WeakPolarHBondContact O-CG 3.49Å; N528-R532 PolarHBondContact O-N 3.49Å; N528-Y557 WeakPolarHBondContact OD1-CE1 3.32Å; N528-Y557 PolarHBondContact OD1-OH 3.09Å
529E89.6Confident82.9Confident126 Ų12680.8 Ų80.859%0.58941%0.408SS*.Hα-helixtrans-65.4-44175.4-171.1170-167.500111.3D525 S526 D527 L531 R532 L533D525-E529 PolarHBondContact O-N 2.85Å; S526-E529 PolarHBondContact O-N 3.31Å; D527-E529 VanDerWaalsContact C-N 3.35Å; D527-E529 PolarHBondContact O-N 3.47Å; E529-L531 PolarHBondContact O-N 3.04Å; E529-R532 PolarHBondContact O-N 3.27Å; E529-L533 HydrophobicContact CG-CD1 4.31Å; E529-L533 WeakPolarHBondContact O-CG 3.11Å; E529-L533 PolarHBondContact O-N 3.41Å
530Q92.6Very high85Confident66 Ų6672.3 Ų72.331%0.30838%0.378SS..Hα-helixtrans-61.4-43.9177.2-173.3174.3-5.700112.4S526 D527 R532 L533 V534 F550S526-Q530 WeakPolarHBondContact O-CB 3.21Å; S526-Q530 PolarHBondContact O-N 3.26Å; D527-Q530 PolarHBondContact O-N 3.33Å; Q530-R532 VanDerWaalsContact C-N 3.34Å; Q530-R532 PolarHBondContact O-N 3.15Å; Q530-L533 PolarHBondContact O-N 3.26Å; Q530-V534 WeakPolarHBondContact O-CG2 3.24Å; Q530-V534 PolarHBondContact O-N 2.89Å; Q530-F550 HydrophobicContact CB-CE1 4.16Å; Q530-F550 HydrophobicContact CB-CZ 4.06Å; Q530-F550 HydrophobicContact CG-CD1 4.4Å; Q530-F550 HydrophobicContact CG-CE1 3.83Å; Q530-F550 HydrophobicContact CG-CZ 4.11Å
531L92.8Very high86.9Confident0 Ų067.5 Ų67.50%035%0.354CS..Hα-helixtrans-59.6-43.8175.6-74.7171.5000111.9L523 D527 E529 V534 C535 F550 L551 Y557 I561 I564L523-L531 HydrophobicContact CD2-CD1 4.39Å; D527-L531 WeakPolarHBondContact O-CG 3.46Å; D527-L531 PolarHBondContact O-N 2.94Å; E529-L531 PolarHBondContact O-N 3.04Å; L531-V534 PolarHBondContact O-N 3.24Å; L531-C535 VanDerWaalsContact O-CB 3.26Å; L531-C535 WeakPolarHBondContact O-CB 3.35Å; L531-C535 PolarHBondContact O-N 2.86Å; L531-F550 HydrophobicContact CD2-CD1 4.34Å; L531-F550 HydrophobicContact CD2-CE1 3.58Å; L531-F550 HydrophobicContact CD2-CZ 4.24Å; L531-F550 HydrophobicContact CG-CE1 3.75Å; L531-F550 HydrophobicContact CG-CZ 4Å; L531-L551 HydrophobicContact CD2-CD2 3.85Å; L531-Y557 HydrophobicContact CD1-CD1 3.62Å; L531-Y557 HydrophobicContact CD1-CE1 3.86Å; L531-I561 HydrophobicContact CB-CD1 4.24Å; L531-I564 HydrophobicContact CB-CD1 4.44Å; L531-I564 HydrophobicContact CD2-CD1 3.97Å
532R89.9Confident88.4Confident163 Ų16369 Ų6962%0.61536%0.357SS*.Hα-helixtrans-64.1-40.7176.1-72.9176.5-178.6172.13.7112.1N528 E529 Q530 C535 N536N528-R532 WeakPolarHBondContact O-CG 3.49Å; N528-R532 PolarHBondContact O-N 3.49Å; E529-R532 PolarHBondContact O-N 3.27Å; Q530-R532 VanDerWaalsContact C-N 3.34Å; Q530-R532 PolarHBondContact O-N 3.15Å; R532-C535 PolarHBondContact O-N 3.19Å; R532-N536 VanDerWaalsContact O-CG 3.32Å; R532-N536 PolarHBondContact O-N 3.41Å; R532-N536 VanDerWaalsContact O-N 3.12Å; R532-N536 PolarHBondContact O-ND2 3.2Å
533L90.9Very high89.7Confident99 Ų9964.8 Ų64.852%0.51833%0.327SS..Hα-helixtrans-62.3-47.4177.4-74172.4000111.4E529 Q530 C535 N536 R537E529-L533 HydrophobicContact CG-CD1 4.31Å; E529-L533 WeakPolarHBondContact O-CG 3.11Å; E529-L533 PolarHBondContact O-N 3.41Å; Q530-L533 PolarHBondContact O-N 3.26Å; L533-C535 VanDerWaalsContact C-N 3.34Å; L533-N536 PolarHBondContact O-N 2.87Å; L533-R537 WeakPolarHBondContact O-CG 3.46Å; L533-R537 PolarHBondContact O-N 2.97Å
534V92.6Very high90.6Very high2 Ų266 Ų661%0.01234%0.337CS..Hα-helixtrans-63.4-41.6177.6173.80000111.2Q530 L531 N536 R537 L551 K567Q530-V534 WeakPolarHBondContact O-CG2 3.24Å; Q530-V534 PolarHBondContact O-N 2.89Å; L531-V534 PolarHBondContact O-N 3.24Å; V534-N536 VanDerWaalsContact C-N 3.28Å; V534-N536 PolarHBondContact O-N 3.25Å; V534-R537 PolarHBondContact O-N 3.19Å; V534-L551 HydrophobicContact CG1-CD1 4.11Å; V534-L551 HydrophobicContact CG1-CD2 4.25Å; V534-K567 HydrophobicContact CG1-CB 4.37Å; V534-K567 HydrophobicContact CG1-CG 4.44Å
535C92.3Very high90.9Very high16 Ų1667.5 Ų67.511%0.10834%0.338CS..Hα-helixtrans-60.5-35.4178.4-172.80000113.4L531 R532 L533 R537 E563 I564L531-C535 VanDerWaalsContact O-CB 3.26Å; L531-C535 WeakPolarHBondContact O-CB 3.35Å; L531-C535 PolarHBondContact O-N 2.86Å; R532-C535 PolarHBondContact O-N 3.19Å; L533-C535 VanDerWaalsContact C-N 3.34Å; C535-R537 VanDerWaalsContact C-N 3.33Å; C535-E563 WeakPolarHBondContact SG-CG 3.22Å; C535-I564 HydrophobicContact CB-CB 4.22Å; C535-I564 HydrophobicContact CB-CD1 4.1Å; C535-I564 HydrophobicContact CB-CG1 3.92Å
536N90.1Very high91.2Very high126 Ų12667.7 Ų67.767%0.67434%0.335SS*.THydrogen-bonded Turntrans-82.4-7.8-178-71.7-29.8000113.8R532 L533 V534R532-N536 VanDerWaalsContact O-CG 3.32Å; R532-N536 PolarHBondContact O-N 3.41Å; R532-N536 VanDerWaalsContact O-N 3.12Å; R532-N536 PolarHBondContact O-ND2 3.2Å; L533-N536 PolarHBondContact O-N 2.87Å; V534-N536 VanDerWaalsContact C-N 3.28Å; V534-N536 PolarHBondContact O-N 3.25Å
537R92.9Very high91.5Very high87 Ų8765 Ų6533%0.32831%0.313SS..SBendtrans-71.1152176.8-63.2-170.8-164.4158.58.8111.3L533 V534 C535 S541 E547L533-R537 WeakPolarHBondContact O-CG 3.46Å; L533-R537 PolarHBondContact O-N 2.97Å; V534-R537 PolarHBondContact O-N 3.19Å; C535-R537 VanDerWaalsContact C-N 3.33Å; R537-S541 WeakPolarHBondContact CD-OG 3.38Å; R537-E547 IonicContact CZ-OE1 3.56Å; R537-E547 IonicContact NH1-OE1 3.9Å; R537-E547 PolarHBondContact NH1-OE1 2.81Å; R537-E547 IonicContact NH1-OE2 2.84Å; R537-E547 PolarHBondContact NH1-OE2 3.16Å; R537-E547 IonicContact NH2-OE1 3.99Å; R537-E547 PolarHBondContact NH2-OE1 3.16Å
538D94.6Very high91.7Very high10 Ų1065.2 Ų65.25%0.05331%0.313CS..  trans-69.2157.5179.476.598.3000112.2L540 S541 N996 I999 R1023 L1028D538-L540 PolarHBondContact O-N 2.81Å; D538-L540 VanDerWaalsContact O-N 3.13Å; D538-L540 WeakPolarHBondContact OD1-CB 3.21Å; D538-L540 PolarHBondContact OD1-N 3.39Å; D538-L540 VanDerWaalsContact OD1-N 3.14Å; D538-S541 VanDerWaalsContact O-CB 3.26Å; D538-S541 WeakPolarHBondContact O-CB 3.4Å; D538-S541 PolarHBondContact O-N 2.82Å; D538-S541 PolarHBondContact OD1-N 3.15Å; D538-N996 WeakPolarHBondContact CA-OD1 3.36Å; D538-I999 HydrophobicContact CB-CD1 3.74Å; D538-I999 WeakPolarHBondContact OD1-CD1 3.41Å; D538-R1023 IonicContact OD1-CZ 2.68Å; D538-R1023 IonicContact OD1-NE 3.62Å; D538-R1023 PolarHBondContact OD1-NE 3.19Å; D538-R1023 IonicContact OD1-NH2 3.02Å; D538-R1023 IonicContact OD2-CZ 2.85Å; D538-R1023 IonicContact OD2-NE 3.27Å; D538-R1023 PolarHBondContact OD2-NE 3.38Å; D538-R1023 IonicContact OD2-NH2 3.85Å; D538-R1023 PolarHBondContact OD2-NH2 3.49Å; D538-L1028 HydrophobicContact CB-CD1 3.87Å
539P94.6Very high91.8Very high17 Ų1767.3 Ų67.311%0.1132%0.324CS..THydrogen-bonded Turntrans-58.2-24.2-177.3-26.134.7000115.6N996 I999 N1000P539-N996 HydrophobicContact CG-CB 4.42Å; P539-I999 HydrophobicContact CB-CG2 3.96Å; P539-I999 HydrophobicContact CG-CG2 3.98Å; P539-N1000 WeakPolarHBondContact CG-OD1 3.39Å
540L93.1Very high91.9Very high33 Ų3362 Ų6217%0.17330%0.299CS..THydrogen-bonded Turntrans-99.94.5-179.9-60.2-179.4000112.8D538 E542 I999 F1016 I1019 R1023D538-L540 PolarHBondContact O-N 2.81Å; D538-L540 VanDerWaalsContact O-N 3.13Å; D538-L540 WeakPolarHBondContact OD1-CB 3.21Å; D538-L540 PolarHBondContact OD1-N 3.39Å; D538-L540 VanDerWaalsContact OD1-N 3.14Å; L540-E542 PolarHBondContact O-N 2.89Å; L540-I999 HydrophobicContact CD1-CG2 3.83Å; L540-I999 HydrophobicContact CD2-CG2 4.46Å; L540-I999 HydrophobicContact CG-CG2 3.65Å; L540-F1016 HydrophobicContact CD2-CB 4.19Å; L540-F1016 HydrophobicContact CD2-CD1 3.36Å; L540-F1016 HydrophobicContact CD2-CE1 3.98Å; L540-F1016 HydrophobicContact CD2-CG 4.04Å; L540-I1019 HydrophobicContact CD1-CB 3.84Å; L540-I1019 HydrophobicContact CD1-CG2 3.62Å; L540-R1023 HydrophobicContact CB-CG 4.44Å; L540-R1023 HydrophobicContact CD1-CG 4.32Å
541S91.3Very high92Very high21 Ų2158.9 Ų58.915%0.14728%0.284CS..SBendtrans-67.9128.4170.4-174.70000109.3R537 D538 I543R537-S541 WeakPolarHBondContact CD-OG 3.38Å; D538-S541 VanDerWaalsContact O-CB 3.26Å; D538-S541 WeakPolarHBondContact O-CB 3.4Å; D538-S541 PolarHBondContact O-N 2.82Å; D538-S541 PolarHBondContact OD1-N 3.15Å; S541-I543 PolarHBondContact O-N 3.43Å
542E88.3Confident92Very high172 Ų17260 Ų6080%0.80429%0.289SS*.PPolyproline II helixtrans-61132175.4-67.8-179.8-178.300110.6L540L540-E542 PolarHBondContact O-N 2.89Å
543I91.4Very high92Very high26 Ų2660.1 Ų60.113%0.13329%0.289CS..PPolyproline II helixtrans-103.8116172-51.2173.6000107.1S541 E547 K548 L551 K567 L570S541-I543 PolarHBondContact O-N 3.43Å; I543-E547 HydrophobicContact CG2-CB 3.74Å; I543-K548 HydrophobicContact CB-CG 4.48Å; I543-K548 HydrophobicContact CG2-CG 3.82Å; I543-L551 HydrophobicContact CG2-CD1 4.39Å; I543-K567 HydrophobicContact CD1-CB 4.09Å; I543-K567 HydrophobicContact CD1-CD 3.54Å; I543-K567 HydrophobicContact CD1-CG 4.42Å; I543-K567 HydrophobicContact CG1-CD 4.35Å; I543-L570 HydrophobicContact CD1-CB 4.2Å; I543-L570 HydrophobicContact CD1-CD1 4.01Å
544T93.1Very high92Very high64 Ų6457 Ų5739%0.39327%0.272SS..PPolyproline II helixtrans-66.5155.6178.860.10000111.7Q546 E547 K548T544-Q546 PolarHBondContact O-N 3.28Å; T544-E547 PolarHBondContact N-OE2 3.45Å; T544-E547 WeakPolarHBondContact O-CB 3.33Å; T544-E547 PolarHBondContact O-N 3.12Å; T544-E547 WeakPolarHBondContact OG1-CB 3.39Å; T544-E547 WeakPolarHBondContact OG1-CG 3.44Å; T544-E547 PolarHBondContact OG1-N 3.23Å; T544-E547 PolarHBondContact OG1-OE2 2.85Å; T544-K548 PolarHBondContact O-N 3.45Å
545E90.1Very high92Very high107 Ų10757.7 Ų57.750%0.527%0.274SS..Hα-helixtrans-60.2-34.1177.3-67.5-59.2122.800112.2E547 K548 D549E545-E547 VanDerWaalsContact C-N 3.33Å; E545-E547 PolarHBondContact O-N 2.87Å; E545-K548 PolarHBondContact O-N 2.91Å; E545-K548 WeakPolarHBondContact OE1-CD 3.27Å; E545-K548 WeakPolarHBondContact OE1-CE 3.32Å; E545-K548 IonicContact OE1-NZ 3.61Å; E545-K548 PolarHBondContact OE1-NZ 3.41Å; E545-D549 PolarHBondContact O-N 3.13Å
546Q90.9Very high91.8Very high143 Ų14358.3 Ų58.367%0.66828%0.276SS*.Hα-helixtrans-64.2-38.3174.1-62.884.5-1.300112.3T544 F550T544-Q546 PolarHBondContact O-N 3.28Å; Q546-F550 VanDerWaalsContact O-CB 3.26Å; Q546-F550 WeakPolarHBondContact O-CB 3.3Å; Q546-F550 PolarHBondContact O-N 3.43Å
547E93.9Very high91.8Very high21 Ų2155.5 Ų55.510%0.09826%0.256CS..Hα-helixtrans-71.8-36.9175.8-73.5165.7143.100111.6R537 I543 T544 E545 F550 L551R537-E547 IonicContact CZ-OE1 3.56Å; R537-E547 IonicContact NH1-OE1 3.9Å; R537-E547 PolarHBondContact NH1-OE1 2.81Å; R537-E547 IonicContact NH1-OE2 2.84Å; R537-E547 PolarHBondContact NH1-OE2 3.16Å; R537-E547 IonicContact NH2-OE1 3.99Å; R537-E547 PolarHBondContact NH2-OE1 3.16Å; I543-E547 HydrophobicContact CG2-CB 3.74Å; T544-E547 PolarHBondContact N-OE2 3.45Å; T544-E547 WeakPolarHBondContact O-CB 3.33Å; T544-E547 PolarHBondContact O-N 3.12Å; T544-E547 WeakPolarHBondContact OG1-CB 3.39Å; T544-E547 WeakPolarHBondContact OG1-CG 3.44Å; T544-E547 PolarHBondContact OG1-N 3.23Å; T544-E547 PolarHBondContact OG1-OE2 2.85Å; E545-E547 VanDerWaalsContact C-N 3.33Å; E545-E547 PolarHBondContact O-N 2.87Å; E547-F550 WeakPolarHBondContact O-CB 3.44Å; E547-F550 PolarHBondContact O-N 3.36Å; E547-L551 WeakPolarHBondContact O-CB 3.43Å; E547-L551 VanDerWaalsContact O-CG 3.27Å; E547-L551 WeakPolarHBondContact O-CG 3.31Å; E547-L551 PolarHBondContact O-N 3.31Å
548K93.6Very high91.8Very high40 Ų4051.4 Ų51.417%0.17424%0.24CC..Hα-helixtrans-60.8-50.1172.7-69-176.2-176.8169.60111.2I543 T544 E545 F550 L551 W552 L570 A571I543-K548 HydrophobicContact CB-CG 4.48Å; I543-K548 HydrophobicContact CG2-CG 3.82Å; T544-K548 PolarHBondContact O-N 3.45Å; E545-K548 PolarHBondContact O-N 2.91Å; E545-K548 WeakPolarHBondContact OE1-CD 3.27Å; E545-K548 WeakPolarHBondContact OE1-CE 3.32Å; E545-K548 IonicContact OE1-NZ 3.61Å; E545-K548 PolarHBondContact OE1-NZ 3.41Å; K548-F550 VanDerWaalsContact C-N 3.26Å; K548-F550 PolarHBondContact O-N 2.93Å; K548-L551 PolarHBondContact O-N 2.98Å; K548-W552 WeakPolarHBondContact O-CB 3.42Å; K548-W552 PolarHBondContact O-N 3.26Å; K548-L570 WeakPolarHBondContact CE-O 3.49Å; K548-A571 HydrophobicContact CB-CB 3.81Å; K548-A571 HydrophobicContact CG-CB 4.02Å
549D90.1Very high91.6Very high75 Ų7552.8 Ų52.840%0.40125%0.249SC..Hα-helixtrans-59.2-39.2175.7-78.2-20.4000111.6E545 R553 K573E545-D549 PolarHBondContact O-N 3.13Å; D549-R553 VanDerWaalsContact O-CB 3.28Å; D549-R553 WeakPolarHBondContact O-CB 3.29Å; D549-R553 PolarHBondContact O-N 3.09Å; D549-K573 IonicContact OD1-NZ 3.62Å
550F91.3Very high91.4Very high14 Ų1455.4 Ų55.46%0.06127%0.268CS..Hα-helixtrans-64.7-46.8175.7171.8-99000112.5D527 Q530 L531 Q546 E547 K548 R553 H554D527-F550 HydrophobicContact CB-CE2 4.22Å; D527-F550 HydrophobicContact CB-CZ 4.12Å; Q530-F550 HydrophobicContact CB-CE1 4.16Å; Q530-F550 HydrophobicContact CB-CZ 4.06Å; Q530-F550 HydrophobicContact CG-CD1 4.4Å; Q530-F550 HydrophobicContact CG-CE1 3.83Å; Q530-F550 HydrophobicContact CG-CZ 4.11Å; L531-F550 HydrophobicContact CD2-CD1 4.34Å; L531-F550 HydrophobicContact CD2-CE1 3.58Å; L531-F550 HydrophobicContact CD2-CZ 4.24Å; L531-F550 HydrophobicContact CG-CE1 3.75Å; L531-F550 HydrophobicContact CG-CZ 4Å; Q546-F550 VanDerWaalsContact O-CB 3.26Å; Q546-F550 WeakPolarHBondContact O-CB 3.3Å; Q546-F550 PolarHBondContact O-N 3.43Å; E547-F550 WeakPolarHBondContact O-CB 3.44Å; E547-F550 PolarHBondContact O-N 3.36Å; K548-F550 VanDerWaalsContact C-N 3.26Å; K548-F550 PolarHBondContact O-N 2.93Å; F550-R553 PolarHBondContact O-N 3.12Å; F550-H554 AromaticContact CD2-CE1 3.49Å; F550-H554 VanDerWaalsContact CD2-CE1 3.49Å; F550-H554 WeakPolarHBondContact CD2-CE1 3.47Å; F550-H554 AromaticContact CD2-ND1 3.54Å; F550-H554 AromaticContact CE2-CE1 3.28Å; F550-H554 WeakPolarHBondContact CE2-CE1 3.49Å; F550-H554 AromaticContact CE2-ND1 3.46Å; F550-H554 WeakPolarHBondContact CE2-ND1 3.23Å; F550-H554 AromaticContact CZ-ND1 3.9Å; F550-H554 PolarHBondContact O-N 3.22Å; F550-H554 PolarHBondContact O-ND1 3.16Å
551L94.1Very high91.5Very high0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-61.1-47.7176.5-75.1170.4000110.9L531 V534 I543 E547 K548 R553 H554 R555 I564 K567 I568 A571L531-L551 HydrophobicContact CD2-CD2 3.85Å; V534-L551 HydrophobicContact CG1-CD1 4.11Å; V534-L551 HydrophobicContact CG1-CD2 4.25Å; I543-L551 HydrophobicContact CG2-CD1 4.39Å; E547-L551 WeakPolarHBondContact O-CB 3.43Å; E547-L551 VanDerWaalsContact O-CG 3.27Å; E547-L551 WeakPolarHBondContact O-CG 3.31Å; E547-L551 PolarHBondContact O-N 3.31Å; K548-L551 PolarHBondContact O-N 2.98Å; L551-R553 VanDerWaalsContact C-N 3.34Å; L551-R553 PolarHBondContact O-N 2.81Å; L551-H554 CarbonylContact O-C 3.4Å; L551-H554 PolarHBondContact O-N 3.25Å; L551-H554 VanDerWaalsContact O-N 3.13Å; L551-R555 PolarHBondContact O-N 3Å; L551-I564 HydrophobicContact CD2-CD1 3.63Å; L551-I564 HydrophobicContact CD2-CG1 4.28Å; L551-K567 HydrophobicContact CD1-CB 4.09Å; L551-I568 HydrophobicContact CB-CG1 4.32Å; L551-I568 HydrophobicContact CD2-CG1 4.31Å; L551-A571 HydrophobicContact CB-CB 4.04Å; L551-A571 HydrophobicContact CD1-CB 4.21Å
552W93.1Very high91.7Very high23 Ų2355 Ų559%0.08727%0.266CS..Hα-helixtrans-64.4-38.7-179.3-172.7-115.1000112.2K548 H554 R555 V572 E579 Q582 M583K548-W552 WeakPolarHBondContact O-CB 3.42Å; K548-W552 PolarHBondContact O-N 3.26Å; W552-H554 VanDerWaalsContact C-N 3.26Å; W552-H554 PolarHBondContact O-N 2.9Å; W552-R555 HydrophobicContact CE3-CB 4.3Å; W552-R555 VanDerWaalsContact O-CB 3.31Å; W552-R555 WeakPolarHBondContact O-CB 3.43Å; W552-R555 VanDerWaalsContact O-CD 3.22Å; W552-R555 WeakPolarHBondContact O-CD 3.19Å; W552-R555 WeakPolarHBondContact O-CG 3.38Å; W552-R555 PolarHBondContact O-N 3.4Å; W552-R555 PolarHBondContact O-NH1 3.24Å; W552-V572 HydrophobicContact CE3-CG2 4.02Å; W552-V572 HydrophobicContact CH2-CG2 4.35Å; W552-V572 HydrophobicContact CZ3-CG2 3.58Å; W552-E579 HydrophobicContact CH2-CB 4.07Å; W552-E579 VanDerWaalsContact CH2-O 3.31Å; W552-E579 WeakPolarHBondContact CH2-O 3.09Å; W552-E579 HydrophobicContact CZ2-CB 3.55Å; W552-E579 HydrophobicContact CZ2-CG 3.67Å; W552-Q582 HydrophobicContact CH2-CB 4.17Å; W552-Q582 HydrophobicContact CZ2-CB 4.25Å; W552-M583 HydrophobicContact CH2-CB 4.18Å; W552-M583 HydrophobicContact CZ3-CB 4.28Å; W552-M583 HydrophobicContact CZ3-SD 4.27Å
553R89.8Confident92Very high166 Ų16650.9 Ų50.963%0.62625%0.246SC*.Hα-helixtrans-59.7-36.8173.6-173.2-178.3-59.1140.68.2112.4D549 F550 L551D549-R553 VanDerWaalsContact O-CB 3.28Å; D549-R553 WeakPolarHBondContact O-CB 3.29Å; D549-R553 PolarHBondContact O-N 3.09Å; F550-R553 PolarHBondContact O-N 3.12Å; L551-R553 VanDerWaalsContact C-N 3.34Å; L551-R553 PolarHBondContact O-N 2.81Å
554H91Very high92.2Very high35 Ų3549.7 Ų49.716%0.16224%0.24CC..THydrogen-bonded Turntrans-99.814.4-177.9-59.7101.2000113.9L523 F550 L551 W552 H556 Y557 C558L523-H554 WeakPolarHBondContact CD2-CD2 3.34Å; F550-H554 AromaticContact CD2-CE1 3.49Å; F550-H554 VanDerWaalsContact CD2-CE1 3.49Å; F550-H554 WeakPolarHBondContact CD2-CE1 3.47Å; F550-H554 AromaticContact CD2-ND1 3.54Å; F550-H554 AromaticContact CE2-CE1 3.28Å; F550-H554 WeakPolarHBondContact CE2-CE1 3.49Å; F550-H554 AromaticContact CE2-ND1 3.46Å; F550-H554 WeakPolarHBondContact CE2-ND1 3.23Å; F550-H554 AromaticContact CZ-ND1 3.9Å; F550-H554 PolarHBondContact O-N 3.22Å; F550-H554 PolarHBondContact O-ND1 3.16Å; L551-H554 CarbonylContact O-C 3.4Å; L551-H554 PolarHBondContact O-N 3.25Å; L551-H554 VanDerWaalsContact O-N 3.13Å; W552-H554 VanDerWaalsContact C-N 3.26Å; W552-H554 PolarHBondContact O-N 2.9Å; H554-H556 VanDerWaalsContact C-N 3.25Å; H554-H556 PolarHBondContact O-N 2.95Å; H554-H556 VanDerWaalsContact O-N 3.07Å; H554-Y557 PolarHBondContact O-N 3.18Å; H554-C558 PolarHBondContact O-N 3.02Å; H554-C558 VanDerWaalsContact O-N 3.14Å; H554-C558 PolarHBondContact O-SG 3.4Å
555R92.1Very high92.4Very high16 Ų1646.6 Ų46.66%0.0622%0.221CC..Hα-helixtrans-49.5-37.8-174.363.4-169.5176.6-85.15.5115.1E503 L551 W552 C558 L586E503-R555 IonicContact OE1-NH2 2.77Å; E503-R555 IonicContact OE2-CZ 3.42Å; E503-R555 IonicContact OE2-NH2 3.88Å; E503-R555 PolarHBondContact OE2-NH2 2.88Å; L551-R555 PolarHBondContact O-N 3Å; W552-R555 HydrophobicContact CE3-CB 4.3Å; W552-R555 VanDerWaalsContact O-CB 3.31Å; W552-R555 WeakPolarHBondContact O-CB 3.43Å; W552-R555 VanDerWaalsContact O-CD 3.22Å; W552-R555 WeakPolarHBondContact O-CD 3.19Å; W552-R555 WeakPolarHBondContact O-CG 3.38Å; W552-R555 PolarHBondContact O-N 3.4Å; W552-R555 PolarHBondContact O-NH1 3.24Å; R555-C558 PolarHBondContact O-N 3.42Å; R555-L586 HydrophobicContact CB-CD1 3.84Å; R555-L586 HydrophobicContact CG-CD1 3.88Å
556H89.4Confident92.7Very high29 Ų2941.7 Ų41.713%0.13420%0.199CC..Hα-helixtrans-70.1-36.2178.4-64.9-71.7000113H554 C558 V559H554-H556 VanDerWaalsContact C-N 3.25Å; H554-H556 PolarHBondContact O-N 2.95Å; H554-H556 VanDerWaalsContact O-N 3.07Å; H556-C558 VanDerWaalsContact C-N 3.34Å; H556-V559 WeakPolarHBondContact O-CG2 3.5Å
557Y89.4Confident93Very high67 Ų6735.4 Ų35.426%0.26317%0.169SC..Hα-helixtrans-71.7-33.3176179-99.1000111.7L523 N528 L531 H554 V559 S560 I561L523-Y557 HydrophobicContact CD1-CD1 3.35Å; L523-Y557 HydrophobicContact CD1-CD2 3.18Å; L523-Y557 HydrophobicContact CD1-CE1 3.57Å; L523-Y557 HydrophobicContact CD1-CE2 3.4Å; L523-Y557 HydrophobicContact CD1-CG 3.14Å; N528-Y557 WeakPolarHBondContact OD1-CE1 3.32Å; N528-Y557 PolarHBondContact OD1-OH 3.09Å; L531-Y557 HydrophobicContact CD1-CD1 3.62Å; L531-Y557 HydrophobicContact CD1-CE1 3.86Å; H554-Y557 PolarHBondContact O-N 3.18Å; Y557-V559 PolarHBondContact O-N 2.89Å; Y557-S560 VanDerWaalsContact O-CB 3.28Å; Y557-S560 WeakPolarHBondContact O-CB 3.38Å; Y557-S560 PolarHBondContact O-N 3.33Å; Y557-S560 PolarHBondContact O-OG 3.2Å; Y557-I561 HydrophobicContact CE1-CD1 3.98Å
558C92Very high93.1Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-61.6-18.9-178.3-65.20000114.1H554 R555 H556 S560 I561 I564 I568 W590H554-C558 PolarHBondContact O-N 3.02Å; H554-C558 VanDerWaalsContact O-N 3.14Å; H554-C558 PolarHBondContact O-SG 3.4Å; R555-C558 PolarHBondContact O-N 3.42Å; H556-C558 VanDerWaalsContact C-N 3.34Å; C558-S560 PolarHBondContact O-N 3.38Å; C558-S560 VanDerWaalsContact O-N 3.16Å; C558-I561 CarbonylContact O-C 3.5Å; C558-I561 VanDerWaalsContact O-C 3.23Å; C558-I561 WeakPolarHBondContact O-CA 3.44Å; C558-I561 PolarHBondContact O-N 2.93Å; C558-I561 VanDerWaalsContact O-O 3.1Å; C558-I564 HydrophobicContact CB-CG2 3.72Å; C558-I568 HydrophobicContact CB-CD1 3.07Å; C558-I568 HydrophobicContact CB-CG1 4.42Å; C558-I568 VanDerWaalsContact SG-CD1 3.53Å; C558-W590 HydrophobicContact CB-CH2 4.03Å
559V91.9Very high93.3Very high40 Ų4032.5 Ų32.524%0.24216%0.156CC..THydrogen-bonded Turntrans-56-27.2168.5-175.50000111.7H556 Y557 I561 L586 W590 P591H556-V559 WeakPolarHBondContact O-CG2 3.5Å; Y557-V559 PolarHBondContact O-N 2.89Å; V559-I561 VanDerWaalsContact C-N 3.29Å; V559-I561 PolarHBondContact O-N 3.28Å; V559-L586 HydrophobicContact CG2-CD2 4.1Å; V559-W590 HydrophobicContact CG2-CE3 3.96Å; V559-W590 HydrophobicContact CG2-CH2 4.44Å; V559-W590 HydrophobicContact CG2-CZ3 3.75Å; V559-P591 HydrophobicContact CG1-CG 4.11Å
560S90.6Very high93.6Very high72 Ų7231.2 Ų31.250%0.50315%0.149SC..THydrogen-bonded Turntrans-76.7-10.8174.572.80000114.5Y557 C558Y557-S560 VanDerWaalsContact O-CB 3.28Å; Y557-S560 WeakPolarHBondContact O-CB 3.38Å; Y557-S560 PolarHBondContact O-N 3.33Å; Y557-S560 PolarHBondContact O-OG 3.2Å; C558-S560 PolarHBondContact O-N 3.38Å; C558-S560 VanDerWaalsContact O-N 3.16Å
561I93.6Very high93.8Very high19 Ų1930.8 Ų30.810%0.09715%0.148CC..SBendtrans-125.469.3176.3-51.7169.6000107.4L531 Y557 C558 V559 E563 I564L531-I561 HydrophobicContact CB-CD1 4.24Å; Y557-I561 HydrophobicContact CE1-CD1 3.98Å; C558-I561 CarbonylContact O-C 3.5Å; C558-I561 VanDerWaalsContact O-C 3.23Å; C558-I561 WeakPolarHBondContact O-CA 3.44Å; C558-I561 PolarHBondContact O-N 2.93Å; C558-I561 VanDerWaalsContact O-O 3.1Å; V559-I561 VanDerWaalsContact C-N 3.29Å; V559-I561 PolarHBondContact O-N 3.28Å; I561-E563 HydrophobicContact CG2-CG 3.92Å; I561-E563 PolarHBondContact O-N 2.84Å; I561-I564 HydrophobicContact CB-CG2 4.4Å; I561-I564 HydrophobicContact CG2-CB 4.27Å; I561-I564 WeakPolarHBondContact O-CB 3.42Å; I561-I564 WeakPolarHBondContact O-CG2 3.44Å; I561-I564 PolarHBondContact O-N 3.44Å
562P95.4Very high93.9Very high26 Ų2631 Ų3117%0.16915%0.149CC..G310 helixtrans-56.6-29.8-165.5-26.936.7000114.7I564 L565 W590 P591 I593P562-I564 PolarHBondContact O-N 2.73Å; P562-L565 WeakPolarHBondContact O-CB 3.09Å; P562-L565 PolarHBondContact O-N 3.25Å; P562-W590 PolarHBondContact O-NE1 3.04Å; P562-P591 HydrophobicContact CB-CB 4.02Å; P562-P591 HydrophobicContact CB-CG 4.45Å; P562-P591 HydrophobicContact CG-CB 3.64Å; P562-P591 HydrophobicContact CG-CG 3.86Å; P562-I593 HydrophobicContact CB-CG2 3.74Å; P562-I593 WeakPolarHBondContact O-CG2 3.44Å
563E94.5Very high94.1Very high86 Ų8634.2 Ų34.240%0.40216%0.164SC..G310 helixtrans-63.5-17.7177.558.8-93.7-148.700114.8C535 I561 L565 P566 Q597C535-E563 WeakPolarHBondContact SG-CG 3.22Å; I561-E563 HydrophobicContact CG2-CG 3.92Å; I561-E563 PolarHBondContact O-N 2.84Å; E563-L565 PolarHBondContact O-N 3.01Å; E563-P566 VanDerWaalsContact O-CD 3.32Å; E563-P566 WeakPolarHBondContact O-CD 3.33Å; E563-Q597 VanDerWaalsContact CB-NE2 3.28Å
564I96.3Very high94.4Very high0 Ų026.7 Ų26.70%014%0.136CC..G310 helixtrans-77.1-8.5178.3-155.7173000112.6L531 C535 L551 C558 I561 P562 P566 K567 I568 W590L531-I564 HydrophobicContact CB-CD1 4.44Å; L531-I564 HydrophobicContact CD2-CD1 3.97Å; C535-I564 HydrophobicContact CB-CB 4.22Å; C535-I564 HydrophobicContact CB-CD1 4.1Å; C535-I564 HydrophobicContact CB-CG1 3.92Å; L551-I564 HydrophobicContact CD2-CD1 3.63Å; L551-I564 HydrophobicContact CD2-CG1 4.28Å; C558-I564 HydrophobicContact CB-CG2 3.72Å; I561-I564 HydrophobicContact CB-CG2 4.4Å; I561-I564 HydrophobicContact CG2-CB 4.27Å; I561-I564 WeakPolarHBondContact O-CB 3.42Å; I561-I564 WeakPolarHBondContact O-CG2 3.44Å; I561-I564 PolarHBondContact O-N 3.44Å; P562-I564 PolarHBondContact O-N 2.73Å; I564-P566 VanDerWaalsContact C-CD 3.41Å; I564-K567 HydrophobicContact CG1-CB 4.25Å; I564-K567 WeakPolarHBondContact O-CB 3.34Å; I564-K567 PolarHBondContact O-N 2.72Å; I564-I568 HydrophobicContact CG2-CD1 3.62Å; I564-I568 HydrophobicContact CG2-CG1 4.34Å; I564-I568 PolarHBondContact O-N 3.25Å; I564-W590 HydrophobicContact CG2-CH2 4.49Å; I564-W590 HydrophobicContact CG2-CZ2 4.36Å
565L97.6Very high94.7Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-46.5-47.7-175.4179.560.7000114.2P562 E563 K567 I568 L569 M583 L587 W590 L601 F614P562-L565 WeakPolarHBondContact O-CB 3.09Å; P562-L565 PolarHBondContact O-N 3.25Å; E563-L565 PolarHBondContact O-N 3.01Å; L565-K567 PolarHBondContact O-N 3.46Å; L565-I568 PolarHBondContact O-N 3.05Å; L565-I568 VanDerWaalsContact O-N 3.13Å; L565-L569 HydrophobicContact CD1-CD1 3.88Å; L565-L569 HydrophobicContact CD1-CD2 4.19Å; L565-L569 HydrophobicContact CD1-CG 3.81Å; L565-L569 HydrophobicContact CD2-CD1 4.38Å; L565-L569 HydrophobicContact CG-CD1 3.71Å; L565-L569 HydrophobicContact CG-CG 4.15Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.36Å; L565-L569 PolarHBondContact O-N 2.75Å; L565-M583 HydrophobicContact CD1-CE 3.68Å; L565-L587 HydrophobicContact CD1-CD1 4.2Å; L565-L587 HydrophobicContact CD2-CD1 3.89Å; L565-W590 HydrophobicContact CB-CZ2 3.67Å; L565-W590 HydrophobicContact CD1-CD2 3.87Å; L565-W590 HydrophobicContact CD1-CE3 4.08Å; L565-W590 HydrophobicContact CD1-CG 4.43Å; L565-W590 HydrophobicContact CD1-CH2 4.21Å; L565-W590 HydrophobicContact CD1-CZ2 3.99Å; L565-W590 HydrophobicContact CD1-CZ3 4.23Å; L565-W590 HydrophobicContact CD2-CD2 4.39Å; L565-W590 HydrophobicContact CD2-CG 4.19Å; L565-W590 HydrophobicContact CG-CD2 4.49Å; L565-W590 HydrophobicContact CG-CZ2 4.36Å; L565-L601 HydrophobicContact CD2-CD1 3.86Å; L565-F614 HydrophobicContact CD2-CD1 3.84Å; L565-F614 HydrophobicContact CD2-CE1 3.4Å; L565-F614 VanDerWaalsContact CD2-CE1 3.4Å; L565-F614 HydrophobicContact CD2-CZ 3.98Å
566P97Very high95Very high4 Ų429 Ų293%0.02615%0.152CC..Hα-helixtrans-57.5-37.8179.7-21.732.4000112.7E563 I564 L569 L570 E600 L601 F606E563-P566 VanDerWaalsContact O-CD 3.32Å; E563-P566 WeakPolarHBondContact O-CD 3.33Å; I564-P566 VanDerWaalsContact C-CD 3.41Å; P566-L569 PolarHBondContact O-N 2.95Å; P566-L570 WeakPolarHBondContact O-CG 3.34Å; P566-L570 PolarHBondContact O-N 2.84Å; P566-E600 HydrophobicContact CB-CG 4.37Å; P566-E600 WeakPolarHBondContact CB-OE1 3.36Å; P566-L601 HydrophobicContact CB-CD2 4.08Å; P566-L601 HydrophobicContact CG-CD2 3.94Å; P566-F606 HydrophobicContact CB-CZ 3.99Å
567K96.7Very high95.3Very high10 Ų1030.4 Ų30.44%0.04316%0.157CC..Hα-helixtrans-71-35.1-179.2-54.8-66.1175.2-860111.6V534 I543 L551 I564 L565 L570 A571 E600V534-K567 HydrophobicContact CG1-CB 4.37Å; V534-K567 HydrophobicContact CG1-CG 4.44Å; I543-K567 HydrophobicContact CD1-CB 4.09Å; I543-K567 HydrophobicContact CD1-CD 3.54Å; I543-K567 HydrophobicContact CD1-CG 4.42Å; I543-K567 HydrophobicContact CG1-CD 4.35Å; L551-K567 HydrophobicContact CD1-CB 4.09Å; I564-K567 HydrophobicContact CG1-CB 4.25Å; I564-K567 WeakPolarHBondContact O-CB 3.34Å; I564-K567 PolarHBondContact O-N 2.72Å; L565-K567 PolarHBondContact O-N 3.46Å; K567-L570 PolarHBondContact O-N 2.88Å; K567-A571 PolarHBondContact O-N 2.95Å; K567-E600 IonicContact NZ-OE1 3.73Å; K567-E600 PolarHBondContact NZ-OE1 3.36Å
568I96.1Very high95.6Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-69.9-41.4174.4-72.2170.5000111.4L551 C558 I564 L565 L570 A571 V572 M583 W590L551-I568 HydrophobicContact CB-CG1 4.32Å; L551-I568 HydrophobicContact CD2-CG1 4.31Å; C558-I568 HydrophobicContact CB-CD1 3.07Å; C558-I568 HydrophobicContact CB-CG1 4.42Å; C558-I568 VanDerWaalsContact SG-CD1 3.53Å; I564-I568 HydrophobicContact CG2-CD1 3.62Å; I564-I568 HydrophobicContact CG2-CG1 4.34Å; I564-I568 PolarHBondContact O-N 3.25Å; L565-I568 PolarHBondContact O-N 3.05Å; L565-I568 VanDerWaalsContact O-N 3.13Å; I568-L570 PolarHBondContact O-N 3.26Å; I568-A571 CarbonylContact O-C 3.59Å; I568-A571 WeakPolarHBondContact O-CA 3.22Å; I568-A571 WeakPolarHBondContact O-CB 3.39Å; I568-A571 PolarHBondContact O-N 3.35Å; I568-V572 WeakPolarHBondContact O-CG2 3.39Å; I568-V572 PolarHBondContact O-N 3.14Å; I568-V572 VanDerWaalsContact O-N 3.12Å; I568-M583 HydrophobicContact CG2-SD 3.88Å; I568-W590 HydrophobicContact CD1-CH2 3.77Å
569L97.4Very high95.9Very high1 Ų130.3 Ų30.31%0.00516%0.16CC..Hα-helixtrans-61.9-31.9177.9-69.2170.1000112.1L565 P566 A571 W574 M583 L601 F606 I611L565-L569 HydrophobicContact CD1-CD1 3.88Å; L565-L569 HydrophobicContact CD1-CD2 4.19Å; L565-L569 HydrophobicContact CD1-CG 3.81Å; L565-L569 HydrophobicContact CD2-CD1 4.38Å; L565-L569 HydrophobicContact CG-CD1 3.71Å; L565-L569 HydrophobicContact CG-CG 4.15Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.36Å; L565-L569 PolarHBondContact O-N 2.75Å; P566-L569 PolarHBondContact O-N 2.95Å; L569-A571 VanDerWaalsContact C-N 3.32Å; L569-W574 HydrophobicContact CD2-CZ2 4.42Å; L569-W574 PolarHBondContact O-NE1 2.86Å; L569-M583 HydrophobicContact CD2-CE 3.76Å; L569-M583 HydrophobicContact CD2-CG 3.86Å; L569-M583 HydrophobicContact CD2-SD 4Å; L569-L601 HydrophobicContact CD1-CD2 3.59Å; L569-F606 HydrophobicContact CB-CD1 4.02Å; L569-F606 HydrophobicContact CB-CE1 3.66Å; L569-F606 HydrophobicContact CD1-CD1 4.09Å; L569-F606 HydrophobicContact CD1-CE1 4.16Å; L569-I611 HydrophobicContact CB-CD1 4.4Å; L569-I611 HydrophobicContact CD1-CD1 3.89Å; L569-I611 HydrophobicContact CD1-CG1 4.09Å; L569-I611 HydrophobicContact CD1-CG2 3.82Å; L569-I611 HydrophobicContact CD2-CD1 3.58Å; L569-I611 HydrophobicContact CD2-CG1 3.84Å; L569-I611 HydrophobicContact CG-CD1 4.15Å
570L95.4Very high96.2Very high48 Ų4828.9 Ų28.925%0.25115%0.151SC..THydrogen-bonded Turntrans-76.6-15.2171-65.2173.5000113.9I543 K548 P566 K567 I568 F606I543-L570 HydrophobicContact CD1-CB 4.2Å; I543-L570 HydrophobicContact CD1-CD1 4.01Å; K548-L570 WeakPolarHBondContact CE-O 3.49Å; P566-L570 WeakPolarHBondContact O-CG 3.34Å; P566-L570 PolarHBondContact O-N 2.84Å; K567-L570 PolarHBondContact O-N 2.88Å; I568-L570 PolarHBondContact O-N 3.26Å; L570-F606 HydrophobicContact CD1-CZ 4.43Å; L570-F606 HydrophobicContact CD2-CE1 4.15Å; L570-F606 HydrophobicContact CD2-CZ 4.15Å; L570-F606 HydrophobicContact CG-CE1 4.14Å; L570-F606 HydrophobicContact CG-CZ 4.08Å
571A96Very high96.5Very high5 Ų525.5 Ų25.54%0.04113%0.127CC..THydrogen-bonded Turntrans-90.8-16176.500000113.2K548 L551 K567 I568 L569K548-A571 HydrophobicContact CB-CB 3.81Å; K548-A571 HydrophobicContact CG-CB 4.02Å; L551-A571 HydrophobicContact CB-CB 4.04Å; L551-A571 HydrophobicContact CD1-CB 4.21Å; K567-A571 PolarHBondContact O-N 2.95Å; I568-A571 CarbonylContact O-C 3.59Å; I568-A571 WeakPolarHBondContact O-CA 3.22Å; I568-A571 WeakPolarHBondContact O-CB 3.39Å; I568-A571 PolarHBondContact O-N 3.35Å; L569-A571 VanDerWaalsContact C-N 3.32Å
572V96.8Very high96.6Very high3 Ų324.7 Ų24.72%0.01812%0.123CC..SBendtrans-66.9132.1176.1174.50000109.9W552 I568 W574 E579 V580 M583W552-V572 HydrophobicContact CE3-CG2 4.02Å; W552-V572 HydrophobicContact CH2-CG2 4.35Å; W552-V572 HydrophobicContact CZ3-CG2 3.58Å; I568-V572 WeakPolarHBondContact O-CG2 3.39Å; I568-V572 PolarHBondContact O-N 3.14Å; I568-V572 VanDerWaalsContact O-N 3.12Å; V572-W574 HydrophobicContact CB-CZ2 4.38Å; V572-W574 HydrophobicContact CG1-CD2 4.13Å; V572-W574 HydrophobicContact CG1-CG 4.39Å; V572-W574 HydrophobicContact CG1-CZ2 4.33Å; V572-W574 VanDerWaalsContact O-CD1 3.24Å; V572-W574 PolarHBondContact O-N 3.41Å; V572-W574 VanDerWaalsContact O-N 3.11Å; V572-E579 HydrophobicContact CG1-CB 4.37Å; V572-V580 HydrophobicContact CG1-CG2 4.15Å; V572-M583 HydrophobicContact CG2-CB 4.03Å; V572-M583 HydrophobicContact CG2-CG 3.82Å; V572-M583 HydrophobicContact CG2-SD 4.05Å
573K96.5Very high96.7Very high91 Ų9123.5 Ų23.540%0.39612%0.115SC..  trans-78.694.1168.1-65.1179-174.6160.60109.8D549 N575 S576 E579D549-K573 IonicContact OD1-NZ 3.62Å; K573-N575 PolarHBondContact O-N 2.68Å; K573-N575 VanDerWaalsContact O-N 3.1Å; K573-S576 WeakPolarHBondContact O-CB 3.39Å; K573-S576 PolarHBondContact O-N 2.97Å; K573-E579 WeakPolarHBondContact CB-OE2 3.39Å; K573-E579 PolarHBondContact N-OE2 2.94Å
574W97.6Very high96.9Very high9 Ų919.8 Ų19.83%0.03410%0.098CC..THydrogen-bonded Turntrans-64.4-13.6-178.3-70.799.2000114.6H362 L367 P397 L569 V572 S576 V580 Y584 D608 I611H362-W574 HydrophobicContact CB-CB 4.38Å; H362-W574 AromaticContact CE1-CD2 3.25Å; H362-W574 AromaticContact CE1-CE2 3.48Å; H362-W574 VanDerWaalsContact CE1-CE2 3.48Å; H362-W574 AromaticContact CE1-CE3 3.47Å; H362-W574 VanDerWaalsContact CE1-CE3 3.47Å; H362-W574 AromaticContact CE1-CG 3.71Å; H362-W574 AromaticContact CE1-CZ2 3.93Å; H362-W574 AromaticContact CE1-CZ3 3.88Å; H362-W574 AromaticContact CE1-NE1 3.96Å; H362-W574 AromaticContact ND1-CD1 3.78Å; H362-W574 AromaticContact ND1-CD2 3.62Å; H362-W574 AromaticContact ND1-CE2 3.98Å; H362-W574 AromaticContact ND1-CG 3.53Å; H362-W574 AromaticContact NE2-CD2 3.76Å; H362-W574 AromaticContact NE2-CE3 3.48Å; H362-W574 AromaticContact NE2-CZ3 3.81Å; L367-W574 HydrophobicContact CD2-CB 3.78Å; P397-W574 HydrophobicContact CB-CE3 4.22Å; P397-W574 WeakPolarHBondContact CD-O 3.36Å; P397-W574 VanDerWaalsContact CG-O 3.28Å; P397-W574 WeakPolarHBondContact CG-O 3.49Å; L569-W574 HydrophobicContact CD2-CZ2 4.42Å; L569-W574 PolarHBondContact O-NE1 2.86Å; V572-W574 HydrophobicContact CB-CZ2 4.38Å; V572-W574 HydrophobicContact CG1-CD2 4.13Å; V572-W574 HydrophobicContact CG1-CG 4.39Å; V572-W574 HydrophobicContact CG1-CZ2 4.33Å; V572-W574 VanDerWaalsContact O-CD1 3.24Å; V572-W574 PolarHBondContact O-N 3.41Å; V572-W574 VanDerWaalsContact O-N 3.11Å; W574-S576 VanDerWaalsContact C-N 3.3Å; W574-V580 HydrophobicContact CD2-CG2 4.4Å; W574-V580 HydrophobicContact CE3-CG1 4.33Å; W574-V580 HydrophobicContact CE3-CG2 3.72Å; W574-V580 HydrophobicContact CZ3-CG1 4.02Å; W574-V580 HydrophobicContact CZ3-CG2 4.15Å; W574-Y584 HydrophobicContact CZ3-CE1 4.25Å; W574-D608 HydrophobicContact CH2-CB 3.91Å; W574-D608 HydrophobicContact CZ3-CB 4.06Å; W574-I611 HydrophobicContact CH2-CD1 3.67Å; W574-I611 HydrophobicContact CH2-CG1 4.46Å; W574-I611 HydrophobicContact CZ2-CD1 3.67Å
575N96.8Very high96.8Very high72 Ų7221.1 Ų21.139%0.38511%0.107SC..THydrogen-bonded Turntrans-90.816.517164.7-0.2000113.5L367 M391 D395 K573L367-N575 HydrophobicContact CB-CB 4.3Å; L367-N575 HydrophobicContact CD2-CB 4.27Å; L367-N575 PolarHBondContact O-ND2 3.5Å; M391-N575 HydrophobicContact CE-CB 4.05Å; M391-N575 HydrophobicContact SD-CB 3.98Å; D395-N575 WeakPolarHBondContact CB-O 3.25Å; K573-N575 PolarHBondContact O-N 2.68Å; K573-N575 VanDerWaalsContact O-N 3.1Å
576S97.1Very high96.7Very high27 Ų2721.7 Ų21.719%0.18911%0.11CC..  trans-130.3111.9175.3173.70000110.1K573 W574 D578 E579 V580K573-S576 WeakPolarHBondContact O-CB 3.39Å; K573-S576 PolarHBondContact O-N 2.97Å; W574-S576 VanDerWaalsContact C-N 3.3Å; S576-D578 PolarHBondContact O-N 3.17Å; S576-E579 PolarHBondContact O-N 3.37Å; S576-V580 WeakPolarHBondContact O-CG2 3.35Å; S576-V580 PolarHBondContact O-N 3.45Å; S576-V580 VanDerWaalsContact O-N 3.11Å
577R97.1Very high96.6Very high59 Ų5921.8 Ų21.822%0.22311%0.11CC..Hα-helixtrans-63-25.6177.473.4-171173.3164.2-5112.8W328 P394 D395 A581W328-R577 HydrophobicContact CZ2-CB 4.07Å; W328-R577 HydrophobicContact CZ2-CG 4.5Å; P394-R577 WeakPolarHBondContact O-CD 3.41Å; D395-R577 WeakPolarHBondContact OD1-CB 3.47Å; D395-R577 WeakPolarHBondContact OD1-CG 3.23Å; D395-R577 PolarHBondContact OD1-N 3.45Å; R577-A581 WeakPolarHBondContact O-CB 3.35Å; R577-A581 PolarHBondContact O-N 2.9Å
578D96.1Very high96.4Very high37 Ų3727 Ų2720%0.19813%0.133CC..Hα-helixtrans-65.2-41.5180-73.8-1.7000110.8H495 N499 R502 S576 Q582H495-D578 IonicContact CD2-OD1 3.96Å; H495-D578 IonicContact CE1-OD1 2.7Å; H495-D578 PolarHBondContact CE1-OD1 3.43Å; H495-D578 IonicContact NE2-OD1 3.78Å; H495-D578 PolarHBondContact NE2-OD1 3.06Å; N499-D578 WeakPolarHBondContact ND2-CA 3.34Å; N499-D578 WeakPolarHBondContact ND2-CB 3.44Å; N499-D578 PolarHBondContact ND2-OD1 3.33Å; N499-D578 PolarHBondContact OD1-OD2 3.36Å; R502-D578 IonicContact CZ-OD2 2.96Å; R502-D578 IonicContact NH2-OD2 3.82Å; R502-D578 PolarHBondContact NH2-OD2 3.4Å; S576-D578 PolarHBondContact O-N 3.17Å; D578-Q582 WeakPolarHBondContact O-CG 3.41Å; D578-Q582 PolarHBondContact O-NE2 2.99Å
579E96.7Very high96.1Very high27 Ų2733.1 Ų33.113%0.12617%0.165CC..Hα-helixtrans-77.1-44.6176.5-67.5-169.4-16100111.8W552 V572 K573 S576 A581 Q582 M583W552-E579 HydrophobicContact CH2-CB 4.07Å; W552-E579 VanDerWaalsContact CH2-O 3.31Å; W552-E579 WeakPolarHBondContact CH2-O 3.09Å; W552-E579 HydrophobicContact CZ2-CB 3.55Å; W552-E579 HydrophobicContact CZ2-CG 3.67Å; V572-E579 HydrophobicContact CG1-CB 4.37Å; K573-E579 WeakPolarHBondContact CB-OE2 3.39Å; K573-E579 PolarHBondContact N-OE2 2.94Å; S576-E579 PolarHBondContact O-N 3.37Å; E579-A581 VanDerWaalsContact C-N 3.32Å; E579-A581 PolarHBondContact O-N 3.04Å; E579-Q582 PolarHBondContact O-N 2.74Å; E579-Q582 VanDerWaalsContact O-N 3.15Å; E579-M583 PolarHBondContact O-N 3.38Å
580V98Very high96.1Very high10 Ų1033.7 Ų33.76%0.06117%0.168CC..Hα-helixtrans-59.1-43.1-179.8174.80000111.5V572 W574 S576 Q582 M583 Y584V572-V580 HydrophobicContact CG1-CG2 4.15Å; W574-V580 HydrophobicContact CD2-CG2 4.4Å; W574-V580 HydrophobicContact CE3-CG1 4.33Å; W574-V580 HydrophobicContact CE3-CG2 3.72Å; W574-V580 HydrophobicContact CZ3-CG1 4.02Å; W574-V580 HydrophobicContact CZ3-CG2 4.15Å; S576-V580 WeakPolarHBondContact O-CG2 3.35Å; S576-V580 PolarHBondContact O-N 3.45Å; S576-V580 VanDerWaalsContact O-N 3.11Å; V580-Q582 VanDerWaalsContact C-N 3.34Å; V580-Q582 PolarHBondContact O-N 3.49Å; V580-M583 PolarHBondContact O-N 2.73Å; V580-Y584 HydrophobicContact CG1-CD1 4.12Å; V580-Y584 HydrophobicContact CG1-CE1 3.69Å; V580-Y584 HydrophobicContact CG1-CE2 4.3Å; V580-Y584 WeakPolarHBondContact O-CD1 3.4Å; V580-Y584 PolarHBondContact O-N 2.88Å
581A97.8Very high96.2Very high1 Ų133.9 Ų33.91%0.00817%0.172CC..Hα-helixtrans-62.2-40.117800000112.5W328 I492 A496 R577 E579 Y584 C585W328-A581 HydrophobicContact CH2-CB 4.41Å; I492-A581 HydrophobicContact CG2-CB 3.7Å; A496-A581 HydrophobicContact CB-CB 3.97Å; A496-A581 WeakPolarHBondContact CB-O 3.44Å; R577-A581 WeakPolarHBondContact O-CB 3.35Å; R577-A581 PolarHBondContact O-N 2.9Å; E579-A581 VanDerWaalsContact C-N 3.32Å; E579-A581 PolarHBondContact O-N 3.04Å; A581-Y584 PolarHBondContact O-N 2.79Å; A581-C585 PolarHBondContact O-N 2.83Å; A581-C585 PolarHBondContact O-SG 3.32Å
582Q96.1Very high96.2Very high3 Ų335.6 Ų35.61%0.01419%0.186CC..Hα-helixtrans-66.2-42174.7-69.6-176.163.400111.6A496 I500 E503 W552 D578 E579 V580 Y584 C585 L586A496-Q582 HydrophobicContact CB-CG 4.4Å; I500-Q582 HydrophobicContact CD1-CG 4.26Å; I500-Q582 HydrophobicContact CG1-CG 4.01Å; E503-Q582 PolarHBondContact OE1-NE2 3.29Å; W552-Q582 HydrophobicContact CH2-CB 4.17Å; W552-Q582 HydrophobicContact CZ2-CB 4.25Å; D578-Q582 WeakPolarHBondContact O-CG 3.41Å; D578-Q582 PolarHBondContact O-NE2 2.99Å; E579-Q582 PolarHBondContact O-N 2.74Å; E579-Q582 VanDerWaalsContact O-N 3.15Å; V580-Q582 VanDerWaalsContact C-N 3.34Å; V580-Q582 PolarHBondContact O-N 3.49Å; Q582-Y584 VanDerWaalsContact C-N 3.34Å; Q582-Y584 PolarHBondContact O-N 2.7Å; Q582-C585 WeakPolarHBondContact O-CB 3.43Å; Q582-C585 PolarHBondContact O-N 3.25Å; Q582-L586 PolarHBondContact O-N 3.36Å
583M97.5Very high96.3Very high1 Ų135.9 Ų35.91%0.00519%0.187CC..Hα-helixtrans-63-40.5177.2-172.963.3-130.900111.7W552 L565 I568 L569 V572 E579 V580 C585 L586 L587 W590W552-M583 HydrophobicContact CH2-CB 4.18Å; W552-M583 HydrophobicContact CZ3-CB 4.28Å; W552-M583 HydrophobicContact CZ3-SD 4.27Å; L565-M583 HydrophobicContact CD1-CE 3.68Å; I568-M583 HydrophobicContact CG2-SD 3.88Å; L569-M583 HydrophobicContact CD2-CE 3.76Å; L569-M583 HydrophobicContact CD2-CG 3.86Å; L569-M583 HydrophobicContact CD2-SD 4Å; V572-M583 HydrophobicContact CG2-CB 4.03Å; V572-M583 HydrophobicContact CG2-CG 3.82Å; V572-M583 HydrophobicContact CG2-SD 4.05Å; E579-M583 PolarHBondContact O-N 3.38Å; V580-M583 PolarHBondContact O-N 2.73Å; M583-C585 VanDerWaalsContact C-N 3.29Å; M583-C585 PolarHBondContact O-N 3.44Å; M583-L586 HydrophobicContact CE-CB 4.1Å; M583-L586 PolarHBondContact O-N 3.11Å; M583-L586 HydrophobicContact SD-CD1 4.34Å; M583-L587 HydrophobicContact CE-CB 4.09Å; M583-L587 HydrophobicContact CE-CD1 4.5Å; M583-L587 WeakPolarHBondContact O-CB 3.19Å; M583-L587 PolarHBondContact O-N 3.5Å; M583-W590 HydrophobicContact CE-CE3 4.48Å
584Y97.9Very high96.3Very high7 Ų738.1 Ų38.13%0.02720%0.197CC..Hα-helixtrans-60.2-39.5175.6-77.110.5000112M489 I492 W574 V580 A581 Q582 L587 K588 D608 M610M489-Y584 HydrophobicContact SD-CD2 4.11Å; I492-Y584 HydrophobicContact CD1-CD2 4.11Å; I492-Y584 HydrophobicContact CD1-CE2 4.18Å; I492-Y584 HydrophobicContact CG2-CD2 4.02Å; W574-Y584 HydrophobicContact CZ3-CE1 4.25Å; V580-Y584 HydrophobicContact CG1-CD1 4.12Å; V580-Y584 HydrophobicContact CG1-CE1 3.69Å; V580-Y584 HydrophobicContact CG1-CE2 4.3Å; V580-Y584 WeakPolarHBondContact O-CD1 3.4Å; V580-Y584 PolarHBondContact O-N 2.88Å; A581-Y584 PolarHBondContact O-N 2.79Å; Q582-Y584 VanDerWaalsContact C-N 3.34Å; Q582-Y584 PolarHBondContact O-N 2.7Å; Y584-L587 PolarHBondContact O-N 3.42Å; Y584-K588 PolarHBondContact O-N 3.17Å; Y584-K588 VanDerWaalsContact O-N 3.1Å; Y584-D608 WeakPolarHBondContact CE1-OD1 3.34Å; Y584-D608 WeakPolarHBondContact CE1-OD2 3.48Å; Y584-D608 PolarHBondContact OH-OD2 3.38Å; Y584-M610 HydrophobicContact CD1-CB 4.28Å; Y584-M610 HydrophobicContact CD1-CG 4.26Å; Y584-M610 HydrophobicContact CD2-CG 4.11Å; Y584-M610 HydrophobicContact CE1-CB 4.21Å; Y584-M610 HydrophobicContact CE1-CG 4.16Å; Y584-M610 HydrophobicContact CE2-CG 4.04Å; Y584-M610 HydrophobicContact CG-CG 4.24Å
585C95.2Very high96.3Very high29 Ų2938.3 Ų38.320%0.19620%0.199CC..Hα-helixtrans-66.3-42.3175-63.90000112.1A496 A581 Q582 M583 L587A496-C585 WeakPolarHBondContact CB-SG 3.33Å; A581-C585 PolarHBondContact O-N 2.83Å; A581-C585 PolarHBondContact O-SG 3.32Å; Q582-C585 WeakPolarHBondContact O-CB 3.43Å; Q582-C585 PolarHBondContact O-N 3.25Å; M583-C585 VanDerWaalsContact C-N 3.29Å; M583-C585 PolarHBondContact O-N 3.44Å; C585-L587 VanDerWaalsContact C-N 3.34Å
586L94.9Very high96.2Very high12 Ų1237.2 Ų37.26%0.06319%0.192CC..Hα-helixtrans-61.6-42.9174.6-72.8171.4000111.8R555 V559 Q582 M583 K588 D589 W590R555-L586 HydrophobicContact CB-CD1 3.84Å; R555-L586 HydrophobicContact CG-CD1 3.88Å; V559-L586 HydrophobicContact CG2-CD2 4.1Å; Q582-L586 PolarHBondContact O-N 3.36Å; M583-L586 HydrophobicContact CE-CB 4.1Å; M583-L586 PolarHBondContact O-N 3.11Å; M583-L586 HydrophobicContact SD-CD1 4.34Å; L586-K588 PolarHBondContact O-N 2.78Å; L586-D589 PolarHBondContact O-N 3.31Å; L586-W590 HydrophobicContact CB-CE3 4.48Å; L586-W590 PolarHBondContact O-N 3.43Å
587L95.7Very high96.2Very high6 Ų638.8 Ų38.83%0.03120%0.196CC..Hα-helixtrans-67.5-35.9-176.5-171.164.3000112.5L565 M583 Y584 C585 D589 W590 M610 I611 F614L565-L587 HydrophobicContact CD1-CD1 4.2Å; L565-L587 HydrophobicContact CD2-CD1 3.89Å; M583-L587 HydrophobicContact CE-CB 4.09Å; M583-L587 HydrophobicContact CE-CD1 4.5Å; M583-L587 WeakPolarHBondContact O-CB 3.19Å; M583-L587 PolarHBondContact O-N 3.5Å; Y584-L587 PolarHBondContact O-N 3.42Å; C585-L587 VanDerWaalsContact C-N 3.34Å; L587-D589 PolarHBondContact O-N 3.44Å; L587-W590 HydrophobicContact CD1-CB 4.29Å; L587-W590 WeakPolarHBondContact O-CB 3.27Å; L587-W590 PolarHBondContact O-N 2.98Å; L587-W590 VanDerWaalsContact O-N 3.14Å; L587-M610 VanDerWaalsContact CD2-C 3.43Å; L587-M610 HydrophobicContact CD2-CB 3.91Å; L587-M610 WeakPolarHBondContact CD2-O 3.34Å; L587-I611 HydrophobicContact CD2-CB 4.46Å; L587-I611 HydrophobicContact CD2-CG1 4.05Å; L587-F614 HydrophobicContact CD1-CB 3.9Å; L587-F614 HydrophobicContact CD1-CD1 4.04Å; L587-F614 HydrophobicContact CD1-CD2 4.02Å; L587-F614 HydrophobicContact CD1-CG 3.7Å; L587-F614 HydrophobicContact CD2-CB 4.27Å; L587-F614 HydrophobicContact CG-CB 4.1Å; L587-F614 HydrophobicContact CG-CG 4.36Å
588K91.6Very high96.3Very high118 Ų11836 Ų3651%0.51319%0.186SC..Hα-helixtrans-55.4-37.5176.7-174.9-179.3179.8-179.90112.4E493 Y584 L586E493-K588 IonicContact OE1-NZ 3.75Å; E493-K588 PolarHBondContact OE1-NZ 3.43Å; E493-K588 IonicContact OE2-NZ 3.55Å; E493-K588 PolarHBondContact OE2-NZ 2.82Å; Y584-K588 PolarHBondContact O-N 3.17Å; Y584-K588 VanDerWaalsContact O-N 3.1Å; L586-K588 PolarHBondContact O-N 2.78Å
589D90.1Very high96.4Very high129 Ų12934.2 Ų34.269%0.6918%0.177SC*.THydrogen-bonded Turntrans-105.38.3-178.9-62.9-34.6000112.9L586 L587L586-D589 PolarHBondContact O-N 3.31Å; L587-D589 PolarHBondContact O-N 3.44Å
590W96.8Very high96.4Very high13 Ų1333.4 Ų33.45%0.04917%0.173CC..PPolyproline II helixtrans-68.5134.4-175.7-161.9-86.6000111.3C558 V559 P562 I564 L565 I568 M583 L586 L587 A592 F614C558-W590 HydrophobicContact CB-CH2 4.03Å; V559-W590 HydrophobicContact CG2-CE3 3.96Å; V559-W590 HydrophobicContact CG2-CH2 4.44Å; V559-W590 HydrophobicContact CG2-CZ3 3.75Å; P562-W590 PolarHBondContact O-NE1 3.04Å; I564-W590 HydrophobicContact CG2-CH2 4.49Å; I564-W590 HydrophobicContact CG2-CZ2 4.36Å; L565-W590 HydrophobicContact CB-CZ2 3.67Å; L565-W590 HydrophobicContact CD1-CD2 3.87Å; L565-W590 HydrophobicContact CD1-CE3 4.08Å; L565-W590 HydrophobicContact CD1-CG 4.43Å; L565-W590 HydrophobicContact CD1-CH2 4.21Å; L565-W590 HydrophobicContact CD1-CZ2 3.99Å; L565-W590 HydrophobicContact CD1-CZ3 4.23Å; L565-W590 HydrophobicContact CD2-CD2 4.39Å; L565-W590 HydrophobicContact CD2-CG 4.19Å; L565-W590 HydrophobicContact CG-CD2 4.49Å; L565-W590 HydrophobicContact CG-CZ2 4.36Å; I568-W590 HydrophobicContact CD1-CH2 3.77Å; M583-W590 HydrophobicContact CE-CE3 4.48Å; L586-W590 HydrophobicContact CB-CE3 4.48Å; L586-W590 PolarHBondContact O-N 3.43Å; L587-W590 HydrophobicContact CD1-CB 4.29Å; L587-W590 WeakPolarHBondContact O-CB 3.27Å; L587-W590 PolarHBondContact O-N 2.98Å; L587-W590 VanDerWaalsContact O-N 3.14Å; W590-A592 PolarHBondContact O-N 3.36Å; W590-F614 HydrophobicContact CB-CE2 3.97Å; W590-F614 HydrophobicContact CB-CZ 4.45Å; W590-F614 AromaticContact CD1-CZ 3.65Å; W590-F614 HydrophobicContact CG-CE2 4.38Å; W590-F614 HydrophobicContact CG-CZ 4.38Å
591P97.5Very high96.5Very high52 Ų5233 Ų3334%0.33817%0.17SC..PPolyproline II helixtrans-63.6135.5177.3-23.533.8000111.8V559 P562 I593V559-P591 HydrophobicContact CG1-CG 4.11Å; P562-P591 HydrophobicContact CB-CB 4.02Å; P562-P591 HydrophobicContact CB-CG 4.45Å; P562-P591 HydrophobicContact CG-CB 3.64Å; P562-P591 HydrophobicContact CG-CG 3.86Å; P591-I593 PolarHBondContact O-N 3.45Å
592A97.1Very high96.5Very high42 Ų4232.9 Ų32.935%0.34717%0.17SC..PPolyproline II helixtrans-61.4138.418000000111.9W590 Y622W590-A592 PolarHBondContact O-N 3.36Å; A592-Y622 HydrophobicContact CB-CE2 3.66Å
593I97.6Very high96.6Very high8 Ų832.9 Ų32.94%0.04117%0.17CC..  trans-106171.9-176.561.5179000111.9P562 P591 Q597 A598 L601 F614P562-I593 HydrophobicContact CB-CG2 3.74Å; P562-I593 WeakPolarHBondContact O-CG2 3.44Å; P591-I593 PolarHBondContact O-N 3.45Å; I593-Q597 HydrophobicContact CD1-CB 3.99Å; I593-Q597 HydrophobicContact CG1-CB 4.4Å; I593-A598 HydrophobicContact CD1-CB 4.22Å; I593-A598 HydrophobicContact CG1-CB 4.01Å; I593-L601 HydrophobicContact CD1-CD1 4.03Å; I593-F614 HydrophobicContact CD1-CE1 4Å; I593-F614 HydrophobicContact CG1-CE1 3.99Å; I593-F614 HydrophobicContact CG1-CZ 4.27Å
594K97.1Very high96.5Very high138 Ų13833.3 Ų33.360%0.617%0.172SC*.  trans-65.9148178.9-64.9177.5-179.3171.40111E596 Q597 A598K594-E596 VanDerWaalsContact C-N 3.28Å; K594-E596 PolarHBondContact O-N 3.29Å; K594-Q597 HydrophobicContact CB-CG 4.42Å; K594-Q597 WeakPolarHBondContact O-CB 3.43Å; K594-Q597 PolarHBondContact O-N 3.47Å; K594-A598 PolarHBondContact O-N 2.76Å
595P97.7Very high96.4Very high13 Ų1335.2 Ų35.28%0.08418%0.183CC..Hα-helixtrans-53.7-41178.5-27.735.6000114.1Q597 A598 M599 L619 L623P595-Q597 PolarHBondContact O-N 3.24Å; P595-A598 PolarHBondContact O-N 3.47Å; P595-M599 WeakPolarHBondContact O-CG 3.3Å; P595-M599 PolarHBondContact O-N 3.15Å; P595-L619 HydrophobicContact CB-CD2 3.88Å; P595-L623 HydrophobicContact CB-CB 4.2Å; P595-L623 HydrophobicContact CB-CD1 3.71Å; P595-L623 HydrophobicContact CG-CB 4.15Å; P595-L623 HydrophobicContact CG-CD1 4.3Å
596E95.7Very high96.6Very high49 Ų4934 Ų3423%0.22918%0.175CC..Hα-helixtrans-62.9-26.3179.1-6682.7178.300113.6K594 M599 R627 Y631 L997K594-E596 VanDerWaalsContact C-N 3.28Å; K594-E596 PolarHBondContact O-N 3.29Å; E596-M599 HydrophobicContact CG-CE 4.42Å; E596-R627 IonicContact OE1-NH1 3.36Å; E596-Y631 HydrophobicContact CG-CE2 4.3Å; E596-L997 HydrophobicContact CB-CD1 4.09Å; E596-L997 HydrophobicContact CG-CD1 3.9Å
597Q96.1Very high96.7Very high60 Ų6033.9 Ų33.928%0.2817%0.174SC..Hα-helixtrans-87.5-42.2174.4-61.9168.9-49.100110.7E563 I593 K594 P595 M599 E600E563-Q597 VanDerWaalsContact CB-NE2 3.28Å; I593-Q597 HydrophobicContact CD1-CB 3.99Å; I593-Q597 HydrophobicContact CG1-CB 4.4Å; K594-Q597 HydrophobicContact CB-CG 4.42Å; K594-Q597 WeakPolarHBondContact O-CB 3.43Å; K594-Q597 PolarHBondContact O-N 3.47Å; P595-Q597 PolarHBondContact O-N 3.24Å; Q597-M599 PolarHBondContact O-N 3.17Å; Q597-E600 WeakPolarHBondContact O-CB 3.41Å; Q597-E600 PolarHBondContact O-N 3.21Å; Q597-E600 VanDerWaalsContact O-N 3.1Å
598A98.4Very high96.8Very high0 Ų033.6 Ų33.60%017%0.173CC..Hα-helixtrans-60.9-30.4176.600000112.9I593 K594 P595 E600 L601 A615 C618 L619I593-A598 HydrophobicContact CD1-CB 4.22Å; I593-A598 HydrophobicContact CG1-CB 4.01Å; K594-A598 PolarHBondContact O-N 2.76Å; P595-A598 PolarHBondContact O-N 3.47Å; A598-E600 VanDerWaalsContact C-N 3.25Å; A598-E600 PolarHBondContact O-N 2.8Å; A598-L601 WeakPolarHBondContact O-CB 3.3Å; A598-L601 PolarHBondContact O-N 3.17Å; A598-L601 VanDerWaalsContact O-N 3.12Å; A598-A615 HydrophobicContact CB-CB 4.49Å; A598-C618 HydrophobicContact CB-CB 3.69Å; A598-L619 HydrophobicContact CB-CD2 4.32Å
599M98.5Very high97.2Very high1 Ų130.4 Ų30.41%0.00516%0.164CC..THydrogen-bonded Turntrans-63.3-27.6175.4-78.9-167.7-6000113.7P595 E596 Q597 L601 L602 L619 Y631 L635 L997 M1004P595-M599 WeakPolarHBondContact O-CG 3.3Å; P595-M599 PolarHBondContact O-N 3.15Å; E596-M599 HydrophobicContact CG-CE 4.42Å; Q597-M599 PolarHBondContact O-N 3.17Å; M599-L601 PolarHBondContact O-N 3.36Å; M599-L602 PolarHBondContact O-N 3.2Å; M599-L602 VanDerWaalsContact O-N 3.16Å; M599-L619 HydrophobicContact CG-CD2 4.23Å; M599-Y631 HydrophobicContact CE-CD1 4.21Å; M599-Y631 HydrophobicContact CE-CD2 3.56Å; M599-Y631 HydrophobicContact CE-CE1 4.44Å; M599-Y631 HydrophobicContact CE-CE2 3.85Å; M599-Y631 HydrophobicContact CE-CG 3.77Å; M599-Y631 HydrophobicContact SD-CD2 3.98Å; M599-Y631 HydrophobicContact SD-CG 3.96Å; M599-L635 HydrophobicContact CG-CD2 4.34Å; M599-L635 HydrophobicContact SD-CD2 4.39Å; M599-L997 HydrophobicContact CE-CD1 4.43Å; M599-M1004 HydrophobicContact CB-CE 4.1Å; M599-M1004 HydrophobicContact CB-SD 3.81Å; M599-M1004 HydrophobicContact CG-CE 4.23Å; M599-M1004 HydrophobicContact CG-SD 4.41Å; M599-M1004 HydrophobicContact SD-CE 4.33Å; M599-M1004 HydrophobicContact SD-SD 4.37Å
600E98.2Very high97.5Very high10 Ų1026.6 Ų26.65%0.04714%0.143CC..G310 helixtrans-56.7-43.1171.7-169.9170.2152.500110.3P566 K567 Q597 A598 L602 D603 F606 N1000P566-E600 HydrophobicContact CB-CG 4.37Å; P566-E600 WeakPolarHBondContact CB-OE1 3.36Å; K567-E600 IonicContact NZ-OE1 3.73Å; K567-E600 PolarHBondContact NZ-OE1 3.36Å; Q597-E600 WeakPolarHBondContact O-CB 3.41Å; Q597-E600 PolarHBondContact O-N 3.21Å; Q597-E600 VanDerWaalsContact O-N 3.1Å; A598-E600 VanDerWaalsContact C-N 3.25Å; A598-E600 PolarHBondContact O-N 2.8Å; E600-L602 PolarHBondContact O-N 3.28Å; E600-D603 PolarHBondContact O-N 3.19Å; E600-F606 HydrophobicContact CG-CE2 4Å; E600-F606 VanDerWaalsContact O-CD2 3.26Å; E600-F606 WeakPolarHBondContact O-CD2 3.18Å; E600-N1000 WeakPolarHBondContact CG-OD1 3.38Å; E600-N1000 PolarHBondContact OE2-ND2 3.21Å
601L98.6Very high97.6Very high0 Ų026.1 Ų26.10%014%0.141CC..G310 helixtrans-69.5-1.1-178.5-53.8-178.1000114.1L565 P566 L569 I593 A598 M599 F606 I611 F614 A615L565-L601 HydrophobicContact CD2-CD1 3.86Å; P566-L601 HydrophobicContact CB-CD2 4.08Å; P566-L601 HydrophobicContact CG-CD2 3.94Å; L569-L601 HydrophobicContact CD1-CD2 3.59Å; I593-L601 HydrophobicContact CD1-CD1 4.03Å; A598-L601 WeakPolarHBondContact O-CB 3.3Å; A598-L601 PolarHBondContact O-N 3.17Å; A598-L601 VanDerWaalsContact O-N 3.12Å; M599-L601 PolarHBondContact O-N 3.36Å; L601-F606 HydrophobicContact CD2-CD1 4.12Å; L601-F606 HydrophobicContact CD2-CD2 4.27Å; L601-F606 HydrophobicContact CD2-CE1 4.15Å; L601-F606 HydrophobicContact CD2-CE2 4.29Å; L601-F606 HydrophobicContact CD2-CG 4.17Å; L601-F606 HydrophobicContact CD2-CZ 4.23Å; L601-F606 WeakPolarHBondContact O-CB 3.48Å; L601-I611 HydrophobicContact CB-CG2 3.83Å; L601-I611 HydrophobicContact CD1-CG2 4.29Å; L601-I611 HydrophobicContact CD2-CG2 4.19Å; L601-I611 HydrophobicContact CG-CG2 4.33Å; L601-F614 HydrophobicContact CD1-CD1 3.88Å; L601-F614 HydrophobicContact CD1-CE1 4.02Å; L601-A615 HydrophobicContact CB-CB 3.86Å; L601-A615 HydrophobicContact CD1-CB 4.48Å
602L98.7Very high97.7Very high0 Ų023.9 Ų23.90%013%0.126CC..G310 helixtrans-105.3-4.1174.8-62.4176.9000112.7M599 E600 R612 A615 V616 L619 L635 V638 L649M599-L602 PolarHBondContact O-N 3.2Å; M599-L602 VanDerWaalsContact O-N 3.16Å; E600-L602 PolarHBondContact O-N 3.28Å; L602-R612 VanDerWaalsContact C-NH2 3.29Å; L602-R612 HydrophobicContact CD2-CB 4.25Å; L602-R612 HydrophobicContact CD2-CG 4.21Å; L602-R612 PolarHBondContact O-NH1 3.47Å; L602-R612 VanDerWaalsContact O-NH1 3.16Å; L602-R612 PolarHBondContact O-NH2 3.24Å; L602-A615 HydrophobicContact CD2-CB 3.77Å; L602-A615 HydrophobicContact CG-CB 3.96Å; L602-V616 HydrophobicContact CD2-CG2 4.39Å; L602-L619 HydrophobicContact CD1-CD1 3.86Å; L602-L635 HydrophobicContact CD1-CD2 3.99Å; L602-V638 HydrophobicContact CB-CB 4.34Å; L602-V638 HydrophobicContact CB-CG1 4.46Å; L602-V638 HydrophobicContact CB-CG2 4.13Å; L602-V638 WeakPolarHBondContact O-CB 3.26Å; L602-V638 WeakPolarHBondContact O-CG1 3.44Å; L602-L649 HydrophobicContact CD1-CD1 4.16Å; L602-L649 HydrophobicContact CD1-CD2 4.31Å; L602-L649 HydrophobicContact CD2-CD2 4.48Å
603D97.1Very high97.7Very high3 Ų324 Ų242%0.01612%0.121CC..SBendtrans-74.7-179.4176.284.29.3000112.8E600 N605 F606 R612 M1004E600-D603 PolarHBondContact O-N 3.19Å; D603-N605 PolarHBondContact O-N 3.24Å; D603-N605 VanDerWaalsContact OD1-CB 3.28Å; D603-N605 WeakPolarHBondContact OD1-CB 3.29Å; D603-N605 PolarHBondContact OD1-N 3.25Å; D603-F606 PolarHBondContact O-N 3.38Å; D603-F606 WeakPolarHBondContact OD1-CD2 3.46Å; D603-R612 PolarHBondContact O-NH2 2.84Å; D603-M1004 HydrophobicContact CB-CG 4.34Å
604C96.1Very high97.8Very high9 Ų924.4 Ų24.46%0.06112%0.122CC..THydrogen-bonded Turntrans-69.4-11.8-175.657.40000115.2G363 I459 Y641 F1016G363-C604 WeakPolarHBondContact CA-O 3.45Å; I459-C604 HydrophobicContact CG2-CB 4.42Å; C604-Y641 HydrophobicContact CB-CD1 3.98Å; C604-Y641 HydrophobicContact CB-CD2 4.27Å; C604-Y641 HydrophobicContact CB-CE1 3.86Å; C604-Y641 HydrophobicContact CB-CE2 4.14Å; C604-Y641 HydrophobicContact CB-CG 4.18Å; C604-F1016 VanDerWaalsContact SG-CZ 3.59Å
605N96.3Very high97.9Very high47 Ų4717.9 Ų17.925%0.2519%0.094SC..THydrogen-bonded Turntrans-79.3-23.8177.8-63.8-37.6000112.4D603 P607 F1016D603-N605 PolarHBondContact O-N 3.24Å; D603-N605 VanDerWaalsContact OD1-CB 3.28Å; D603-N605 WeakPolarHBondContact OD1-CB 3.29Å; D603-N605 PolarHBondContact OD1-N 3.25Å; N605-P607 VanDerWaalsContact C-CD 3.46Å; N605-P607 WeakPolarHBondContact O-CD 3.36Å; N605-F1016 WeakPolarHBondContact ND2-CZ 3.38Å; N605-F1016 WeakPolarHBondContact OD1-CE2 3.48Å
606F98.1Very high97.9Very high5 Ų517.3 Ų17.32%0.0229%0.09CC..  trans-115.576.9-176.2-55.5-78.4000110.7P566 L569 L570 E600 L601 D603 D608 I611 R612P566-F606 HydrophobicContact CB-CZ 3.99Å; L569-F606 HydrophobicContact CB-CD1 4.02Å; L569-F606 HydrophobicContact CB-CE1 3.66Å; L569-F606 HydrophobicContact CD1-CD1 4.09Å; L569-F606 HydrophobicContact CD1-CE1 4.16Å; L570-F606 HydrophobicContact CD1-CZ 4.43Å; L570-F606 HydrophobicContact CD2-CE1 4.15Å; L570-F606 HydrophobicContact CD2-CZ 4.15Å; L570-F606 HydrophobicContact CG-CE1 4.14Å; L570-F606 HydrophobicContact CG-CZ 4.08Å; E600-F606 HydrophobicContact CG-CE2 4Å; E600-F606 VanDerWaalsContact O-CD2 3.26Å; E600-F606 WeakPolarHBondContact O-CD2 3.18Å; L601-F606 HydrophobicContact CD2-CD1 4.12Å; L601-F606 HydrophobicContact CD2-CD2 4.27Å; L601-F606 HydrophobicContact CD2-CE1 4.15Å; L601-F606 HydrophobicContact CD2-CE2 4.29Å; L601-F606 HydrophobicContact CD2-CG 4.17Å; L601-F606 HydrophobicContact CD2-CZ 4.23Å; L601-F606 WeakPolarHBondContact O-CB 3.48Å; D603-F606 PolarHBondContact O-N 3.38Å; D603-F606 WeakPolarHBondContact OD1-CD2 3.46Å; F606-D608 VanDerWaalsContact C-N 3.33Å; F606-I611 HydrophobicContact CB-CG2 4.03Å; F606-I611 HydrophobicContact CD1-CD1 4.32Å; F606-I611 HydrophobicContact CD1-CG2 4.49Å; F606-R612 PolarHBondContact O-NE 2.95Å; F606-R612 PolarHBondContact O-NH2 2.83Å
607P98.1Very high98.1Very high9 Ų920.4 Ų20.46%0.05810%0.103CC..  trans-82.1-11.6-177.540-45.1000113.2H362 A399 N605H362-P607 WeakPolarHBondContact NE2-CG 3.25Å; A399-P607 HydrophobicContact CB-CB 3.91Å; A399-P607 HydrophobicContact CB-CG 3.84Å; N605-P607 VanDerWaalsContact C-CD 3.46Å; N605-P607 WeakPolarHBondContact O-CD 3.36Å
608D98.6Very high98.2Very high0 Ų017.6 Ų17.60%09%0.09CC..  trans-67.2130.9-170.1-175.7-90.5000112.2W574 Y584 F606 M610 I611 R612W574-D608 HydrophobicContact CH2-CB 3.91Å; W574-D608 HydrophobicContact CZ3-CB 4.06Å; Y584-D608 WeakPolarHBondContact CE1-OD1 3.34Å; Y584-D608 WeakPolarHBondContact CE1-OD2 3.48Å; Y584-D608 PolarHBondContact OH-OD2 3.38Å; F606-D608 VanDerWaalsContact C-N 3.33Å; D608-M610 VanDerWaalsContact C-N 3.32Å; D608-M610 PolarHBondContact O-N 3.33Å; D608-M610 WeakPolarHBondContact OD1-CA 3.34Å; D608-M610 VanDerWaalsContact OD1-CB 3.31Å; D608-M610 WeakPolarHBondContact OD1-CB 3.42Å; D608-M610 PolarHBondContact OD1-N 3.03Å; D608-I611 HydrophobicContact CB-CB 4.19Å; D608-I611 HydrophobicContact CB-CD1 3.63Å; D608-I611 HydrophobicContact CB-CG1 3.84Å; D608-I611 PolarHBondContact O-N 2.92Å; D608-I611 PolarHBondContact OD1-N 3.17Å; D608-R612 WeakPolarHBondContact O-CG 3.34Å; D608-R612 PolarHBondContact O-N 3.38Å
609P97.9Very high98.2Very high51 Ų5117.6 Ų17.633%0.3319%0.09SC..Hα-helixtrans-61.3-33.8-177.3-26.335.2000114.6R398 D613R398-P609 HydrophobicContact CG-CG 3.92Å; P609-D613 VanDerWaalsContact O-CB 3.27Å; P609-D613 WeakPolarHBondContact O-CB 3.4Å; P609-D613 PolarHBondContact O-N 3.29Å
610M98.1Very high98.2Very high49 Ų4922.9 Ų22.924%0.24112%0.115CC..Hα-helixtrans-71.3-40.1179.6-66-67.6-68.700110.6M489 Y584 L587 D608 F614M489-M610 HydrophobicContact CE-CE 3.87Å; M489-M610 HydrophobicContact SD-CE 3.98Å; M489-M610 HydrophobicContact SD-SD 4.17Å; Y584-M610 HydrophobicContact CD1-CB 4.28Å; Y584-M610 HydrophobicContact CD1-CG 4.26Å; Y584-M610 HydrophobicContact CD2-CG 4.11Å; Y584-M610 HydrophobicContact CE1-CB 4.21Å; Y584-M610 HydrophobicContact CE1-CG 4.16Å; Y584-M610 HydrophobicContact CE2-CG 4.04Å; Y584-M610 HydrophobicContact CG-CG 4.24Å; L587-M610 VanDerWaalsContact CD2-C 3.43Å; L587-M610 HydrophobicContact CD2-CB 3.91Å; L587-M610 WeakPolarHBondContact CD2-O 3.34Å; D608-M610 VanDerWaalsContact C-N 3.32Å; D608-M610 PolarHBondContact O-N 3.33Å; D608-M610 WeakPolarHBondContact OD1-CA 3.34Å; D608-M610 VanDerWaalsContact OD1-CB 3.31Å; D608-M610 WeakPolarHBondContact OD1-CB 3.42Å; D608-M610 PolarHBondContact OD1-N 3.03Å; M610-F614 PolarHBondContact O-N 3.23Å
611I98.7Very high98.1Very high2 Ų229 Ų291%0.0114%0.141CC..Hα-helixtrans-60.1-48.6173.6-60.7174.6000110.6L569 W574 L587 L601 F606 D608 F614 A615L569-I611 HydrophobicContact CB-CD1 4.4Å; L569-I611 HydrophobicContact CD1-CD1 3.89Å; L569-I611 HydrophobicContact CD1-CG1 4.09Å; L569-I611 HydrophobicContact CD1-CG2 3.82Å; L569-I611 HydrophobicContact CD2-CD1 3.58Å; L569-I611 HydrophobicContact CD2-CG1 3.84Å; L569-I611 HydrophobicContact CG-CD1 4.15Å; W574-I611 HydrophobicContact CH2-CD1 3.67Å; W574-I611 HydrophobicContact CH2-CG1 4.46Å; W574-I611 HydrophobicContact CZ2-CD1 3.67Å; L587-I611 HydrophobicContact CD2-CB 4.46Å; L587-I611 HydrophobicContact CD2-CG1 4.05Å; L601-I611 HydrophobicContact CB-CG2 3.83Å; L601-I611 HydrophobicContact CD1-CG2 4.29Å; L601-I611 HydrophobicContact CD2-CG2 4.19Å; L601-I611 HydrophobicContact CG-CG2 4.33Å; F606-I611 HydrophobicContact CB-CG2 4.03Å; F606-I611 HydrophobicContact CD1-CD1 4.32Å; F606-I611 HydrophobicContact CD1-CG2 4.49Å; D608-I611 HydrophobicContact CB-CB 4.19Å; D608-I611 HydrophobicContact CB-CD1 3.63Å; D608-I611 HydrophobicContact CB-CG1 3.84Å; D608-I611 PolarHBondContact O-N 2.92Å; D608-I611 PolarHBondContact OD1-N 3.17Å; I611-F614 WeakPolarHBondContact O-CB 3.39Å; I611-F614 PolarHBondContact O-N 3.34Å; I611-A615 PolarHBondContact O-N 3.09Å
612R98.6Very high98.1Very high5 Ų534.2 Ų34.22%0.01916%0.161CC..Hα-helixtrans-66.7-38.6-178.5-70.5-178.9165.4-90.1-11.3112.4L602 D603 F606 D608 A615 V616 E642L602-R612 VanDerWaalsContact C-NH2 3.29Å; L602-R612 HydrophobicContact CD2-CB 4.25Å; L602-R612 HydrophobicContact CD2-CG 4.21Å; L602-R612 PolarHBondContact O-NH1 3.47Å; L602-R612 VanDerWaalsContact O-NH1 3.16Å; L602-R612 PolarHBondContact O-NH2 3.24Å; D603-R612 PolarHBondContact O-NH2 2.84Å; F606-R612 PolarHBondContact O-NE 2.95Å; F606-R612 PolarHBondContact O-NH2 2.83Å; D608-R612 WeakPolarHBondContact O-CG 3.34Å; D608-R612 PolarHBondContact O-N 3.38Å; R612-A615 WeakPolarHBondContact O-CB 3.5Å; R612-A615 PolarHBondContact O-N 3.41Å; R612-V616 WeakPolarHBondContact O-CG2 3.18Å; R612-V616 PolarHBondContact O-N 2.93Å; R612-E642 WeakPolarHBondContact CD-OE1 3.25Å; R612-E642 IonicContact CZ-OE1 3.93Å; R612-E642 IonicContact NE-OE1 3.46Å; R612-E642 IonicContact NH1-OE1 3.83Å; R612-E642 PolarHBondContact NH1-OE1 3.24Å
613D98.5Very high98.1Very high44 Ų4434.6 Ų34.624%0.23516%0.163CC..Hα-helixtrans-62.5-44.1173.4-178.966000111.8P609 A615 V616 K617 P648P609-D613 VanDerWaalsContact O-CB 3.27Å; P609-D613 WeakPolarHBondContact O-CB 3.4Å; P609-D613 PolarHBondContact O-N 3.29Å; D613-A615 VanDerWaalsContact C-N 3.33Å; D613-A615 PolarHBondContact O-N 3.5Å; D613-V616 PolarHBondContact O-N 3.45Å; D613-K617 WeakPolarHBondContact O-CG 3.49Å; D613-K617 PolarHBondContact O-N 2.77Å; D613-K617 WeakPolarHBondContact OD2-CE 3.39Å; D613-K617 IonicContact OD2-NZ 3.62Å; D613-K617 PolarHBondContact OD2-NZ 3.38Å; D613-P648 HydrophobicContact CB-CG 4.36Å
614F98.7Very high98.1Very high18 Ų1837.3 Ų37.38%0.07918%0.18CC..Hα-helixtrans-58.6-44.7172.7170.3-92.1000112L565 L587 W590 I593 L601 M610 I611 V616 K617 C618L565-F614 HydrophobicContact CD2-CD1 3.84Å; L565-F614 HydrophobicContact CD2-CE1 3.4Å; L565-F614 VanDerWaalsContact CD2-CE1 3.4Å; L565-F614 HydrophobicContact CD2-CZ 3.98Å; L587-F614 HydrophobicContact CD1-CB 3.9Å; L587-F614 HydrophobicContact CD1-CD1 4.04Å; L587-F614 HydrophobicContact CD1-CD2 4.02Å; L587-F614 HydrophobicContact CD1-CG 3.7Å; L587-F614 HydrophobicContact CD2-CB 4.27Å; L587-F614 HydrophobicContact CG-CB 4.1Å; L587-F614 HydrophobicContact CG-CG 4.36Å; W590-F614 HydrophobicContact CB-CE2 3.97Å; W590-F614 HydrophobicContact CB-CZ 4.45Å; W590-F614 AromaticContact CD1-CZ 3.65Å; W590-F614 HydrophobicContact CG-CE2 4.38Å; W590-F614 HydrophobicContact CG-CZ 4.38Å; I593-F614 HydrophobicContact CD1-CE1 4Å; I593-F614 HydrophobicContact CG1-CE1 3.99Å; I593-F614 HydrophobicContact CG1-CZ 4.27Å; L601-F614 HydrophobicContact CD1-CD1 3.88Å; L601-F614 HydrophobicContact CD1-CE1 4.02Å; M610-F614 PolarHBondContact O-N 3.23Å; I611-F614 WeakPolarHBondContact O-CB 3.39Å; I611-F614 PolarHBondContact O-N 3.34Å; F614-V616 PolarHBondContact O-N 3.1Å; F614-K617 PolarHBondContact O-N 3.22Å; F614-C618 VanDerWaalsContact CZ-SG 3.57Å; F614-C618 PolarHBondContact O-N 3.3Å; F614-C618 PolarHBondContact O-SG 3.45Å
615A98.8Very high98.2Very high0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-60-47.4177.900000111.4A598 L601 L602 I611 R612 D613 K617 C618 L619A598-A615 HydrophobicContact CB-CB 4.49Å; L601-A615 HydrophobicContact CB-CB 3.86Å; L601-A615 HydrophobicContact CD1-CB 4.48Å; L602-A615 HydrophobicContact CD2-CB 3.77Å; L602-A615 HydrophobicContact CG-CB 3.96Å; I611-A615 PolarHBondContact O-N 3.09Å; R612-A615 WeakPolarHBondContact O-CB 3.5Å; R612-A615 PolarHBondContact O-N 3.41Å; D613-A615 VanDerWaalsContact C-N 3.33Å; D613-A615 PolarHBondContact O-N 3.5Å; A615-K617 PolarHBondContact O-N 3.1Å; A615-C618 WeakPolarHBondContact O-CB 3.37Å; A615-C618 PolarHBondContact O-N 3.32Å; A615-C618 VanDerWaalsContact O-N 3.12Å; A615-L619 WeakPolarHBondContact O-CG 3.41Å; A615-L619 PolarHBondContact O-N 3.02Å
616V98.8Very high98.2Very high2 Ų237.5 Ų37.51%0.01218%0.181CC..Hα-helixtrans-62.4-41.6177.7173.50000111.5L602 R612 D613 F614 C618 L619 E620 P648 L649 F652L602-V616 HydrophobicContact CD2-CG2 4.39Å; R612-V616 WeakPolarHBondContact O-CG2 3.18Å; R612-V616 PolarHBondContact O-N 2.93Å; D613-V616 PolarHBondContact O-N 3.45Å; F614-V616 PolarHBondContact O-N 3.1Å; V616-C618 VanDerWaalsContact C-N 3.26Å; V616-C618 PolarHBondContact O-N 3.27Å; V616-L619 CarbonylContact O-C 3.54Å; V616-L619 WeakPolarHBondContact O-CA 3.47Å; V616-L619 WeakPolarHBondContact O-CB 3.49Å; V616-L619 PolarHBondContact O-N 2.87Å; V616-E620 HydrophobicContact CG1-CG 4.3Å; V616-E620 WeakPolarHBondContact O-CG 3.47Å; V616-E620 PolarHBondContact O-N 3.39Å; V616-P648 HydrophobicContact CB-CB 4.14Å; V616-P648 HydrophobicContact CG1-CB 4Å; V616-P648 HydrophobicContact CG2-CB 4.17Å; V616-L649 HydrophobicContact CG2-CB 3.79Å; V616-L649 HydrophobicContact CG2-CD1 4.13Å; V616-F652 HydrophobicContact CG1-CB 3.91Å; V616-F652 HydrophobicContact CG1-CG 4.32Å
617K98.6Very high98.2Very high113 Ų11340 Ų4049%0.49119%0.19SC..Hα-helixtrans-59-36.1173.8-75.8168.2174.7163.80112.7D613 F614 A615 K621D613-K617 WeakPolarHBondContact O-CG 3.49Å; D613-K617 PolarHBondContact O-N 2.77Å; D613-K617 WeakPolarHBondContact OD2-CE 3.39Å; D613-K617 IonicContact OD2-NZ 3.62Å; D613-K617 PolarHBondContact OD2-NZ 3.38Å; F614-K617 PolarHBondContact O-N 3.22Å; A615-K617 PolarHBondContact O-N 3.1Å; K617-K621 WeakPolarHBondContact O-CB 3.27Å; K617-K621 PolarHBondContact O-N 2.97Å
618C98.6Very high98.2Very high1 Ų139.6 Ų39.61%0.00719%0.187CC..Hα-helixtrans-66.2-41.1173.1-64.30000111.5A598 F614 A615 V616 K621 Y622A598-C618 HydrophobicContact CB-CB 3.69Å; F614-C618 VanDerWaalsContact CZ-SG 3.57Å; F614-C618 PolarHBondContact O-N 3.3Å; F614-C618 PolarHBondContact O-SG 3.45Å; A615-C618 WeakPolarHBondContact O-CB 3.37Å; A615-C618 PolarHBondContact O-N 3.32Å; A615-C618 VanDerWaalsContact O-N 3.12Å; V616-C618 VanDerWaalsContact C-N 3.26Å; V616-C618 PolarHBondContact O-N 3.27Å; C618-K621 PolarHBondContact O-N 2.83Å; C618-Y622 PolarHBondContact O-N 2.95Å
619L98.7Very high98.2Very high0 Ų041.3 Ų41.30%020%0.2CC..Hα-helixtrans-64.5-46.4175.5-56.5-172.4000111.6P595 A598 M599 L602 A615 V616 K621 Y622 L623 L635 F652P595-L619 HydrophobicContact CB-CD2 3.88Å; A598-L619 HydrophobicContact CB-CD2 4.32Å; M599-L619 HydrophobicContact CG-CD2 4.23Å; L602-L619 HydrophobicContact CD1-CD1 3.86Å; A615-L619 WeakPolarHBondContact O-CG 3.41Å; A615-L619 PolarHBondContact O-N 3.02Å; V616-L619 CarbonylContact O-C 3.54Å; V616-L619 WeakPolarHBondContact O-CA 3.47Å; V616-L619 WeakPolarHBondContact O-CB 3.49Å; V616-L619 PolarHBondContact O-N 2.87Å; L619-K621 PolarHBondContact O-N 3.04Å; L619-Y622 PolarHBondContact O-N 3.48Å; L619-L623 HydrophobicContact CB-CB 4.13Å; L619-L623 HydrophobicContact CB-CD2 4.27Å; L619-L623 HydrophobicContact CD1-CD2 4.48Å; L619-L623 HydrophobicContact CD2-CB 4.39Å; L619-L623 HydrophobicContact CD2-CD2 4.25Å; L619-L623 WeakPolarHBondContact O-CA 3.38Å; L619-L623 WeakPolarHBondContact O-CB 3.47Å; L619-L623 PolarHBondContact O-N 3.07Å; L619-L635 HydrophobicContact CD1-CD2 3.82Å; L619-F652 HydrophobicContact CB-CE1 4.11Å; L619-F652 HydrophobicContact CB-CZ 4.04Å; L619-F652 HydrophobicContact CD1-CE1 4.25Å
620E98.1Very high98.2Very high112 Ų11239.8 Ų39.852%0.52319%0.188SC..Hα-helixtrans-56.2-38177.8-75.3-178.2151.800112.5V616 F652V616-E620 HydrophobicContact CG1-CG 4.3Å; V616-E620 WeakPolarHBondContact O-CG 3.47Å; V616-E620 PolarHBondContact O-N 3.39Å; E620-F652 HydrophobicContact CG-CD2 3.52Å; E620-F652 HydrophobicContact CG-CE2 3.88Å; E620-F652 HydrophobicContact CG-CG 4.38Å
621K97.3Very high98.2Very high138 Ų13837.4 Ų37.460%0.618%0.176SC*.Hα-helixtrans-81-39.3-177.3-169.2174-180-1680113.8K617 C618 L619K617-K621 WeakPolarHBondContact O-CB 3.27Å; K617-K621 PolarHBondContact O-N 2.97Å; C618-K621 PolarHBondContact O-N 2.83Å; L619-K621 PolarHBondContact O-N 3.04Å
622Y97.6Very high98.2Very high110 Ų11037.4 Ų37.443%0.43118%0.176SC..Hα-helixtrans-123.6-17.5-166.3-60.6-63.1000115.3A592 C618 L619 T624A592-Y622 HydrophobicContact CB-CE2 3.66Å; C618-Y622 PolarHBondContact O-N 2.95Å; L619-Y622 PolarHBondContact O-N 3.48Å; Y622-T624 PolarHBondContact O-N 3.47Å
623L98.1Very high98.2Very high8 Ų838.5 Ų38.54%0.04218%0.182CC..  trans-79109-179.4-170.571.6000110.1P595 L619 R627 L628 Y631 L635 F652P595-L623 HydrophobicContact CB-CB 4.2Å; P595-L623 HydrophobicContact CB-CD1 3.71Å; P595-L623 HydrophobicContact CG-CB 4.15Å; P595-L623 HydrophobicContact CG-CD1 4.3Å; L619-L623 HydrophobicContact CB-CB 4.13Å; L619-L623 HydrophobicContact CB-CD2 4.27Å; L619-L623 HydrophobicContact CD1-CD2 4.48Å; L619-L623 HydrophobicContact CD2-CB 4.39Å; L619-L623 HydrophobicContact CD2-CD2 4.25Å; L619-L623 WeakPolarHBondContact O-CA 3.38Å; L619-L623 WeakPolarHBondContact O-CB 3.47Å; L619-L623 PolarHBondContact O-N 3.07Å; L623-R627 HydrophobicContact CD1-CB 3.54Å; L623-R627 HydrophobicContact CG-CB 4.43Å; L623-L628 HydrophobicContact CD2-CB 3.75Å; L623-L628 HydrophobicContact CD2-CD1 3.87Å; L623-L628 HydrophobicContact CD2-CG 4.3Å; L623-L628 HydrophobicContact CG-CB 4.02Å; L623-Y631 HydrophobicContact CD1-CD2 4.27Å; L623-L635 HydrophobicContact CD2-CD1 4.06Å; L623-F652 HydrophobicContact CD2-CE1 4.36Å; L623-F652 HydrophobicContact CD2-CZ 4.25Å
624T97.8Very high98.2Very high61 Ų6136.4 Ų36.437%0.37417%0.171SC..  trans-69.9156.3174.566.40000111Y622 D626 R627 L628Y622-T624 PolarHBondContact O-N 3.47Å; T624-D626 PolarHBondContact O-N 2.72Å; T624-R627 PolarHBondContact O-N 2.86Å; T624-R627 VanDerWaalsContact O-N 3.14Å; T624-R627 PolarHBondContact OG1-N 2.84Å; T624-L628 WeakPolarHBondContact O-CB 3.33Å; T624-L628 PolarHBondContact O-N 2.94Å
625D98.3Very high98.2Very high48 Ų4835.5 Ų35.526%0.25717%0.167SC..Hα-helixtrans-60.6-27.7176.9-75.611.8000112.8S629 K656 N660 I663D625-S629 WeakPolarHBondContact O-CB 3.28Å; D625-S629 PolarHBondContact O-N 3.41Å; D625-S629 PolarHBondContact O-OG 3.31Å; D625-K656 IonicContact OD1-NZ 3.7Å; D625-K656 PolarHBondContact OD1-NZ 2.87Å; D625-N660 PolarHBondContact OD2-ND2 2.66Å; D625-I663 HydrophobicContact CB-CD1 3.87Å
626D97Very high98.2Very high11 Ų1135.5 Ų35.56%0.05917%0.167CC..Hα-helixtrans-64.9-52.3172.7178.946.3000111.5S173 K271 T624 S629 Q630S173-D626 WeakPolarHBondContact CB-OD2 3.4Å; S173-D626 PolarHBondContact N-OD2 3.31Å; S173-D626 PolarHBondContact OG-OD2 3.19Å; K271-D626 WeakPolarHBondContact CE-OD1 3.31Å; K271-D626 IonicContact NZ-OD1 2.77Å; K271-D626 PolarHBondContact NZ-OD1 2.97Å; T624-D626 PolarHBondContact O-N 2.72Å; D626-S629 PolarHBondContact O-N 2.96Å; D626-Q630 PolarHBondContact O-N 3.2Å
627R97.4Very high98.2Very high58 Ų5835.9 Ų35.922%0.21917%0.169CC..Hα-helixtrans-68-37.4177.5-67.5-61.7179146.90112.6S173 E596 L623 T624 Q630 Y631S173-R627 WeakPolarHBondContact OG-CG 3.31Å; S173-R627 PolarHBondContact OG-NE 3.41Å; E596-R627 IonicContact OE1-NH1 3.36Å; L623-R627 HydrophobicContact CD1-CB 3.54Å; L623-R627 HydrophobicContact CG-CB 4.43Å; T624-R627 PolarHBondContact O-N 2.86Å; T624-R627 VanDerWaalsContact O-N 3.14Å; T624-R627 PolarHBondContact OG1-N 2.84Å; R627-Q630 CarbonylContact O-C 3.58Å; R627-Q630 WeakPolarHBondContact O-CB 3.37Å; R627-Q630 PolarHBondContact O-N 3.23Å; R627-Q630 VanDerWaalsContact O-N 3.12Å; R627-Y631 HydrophobicContact CB-CD2 4.26Å; R627-Y631 HydrophobicContact CB-CE2 4.07Å; R627-Y631 PolarHBondContact NH1-OH 3.18Å; R627-Y631 VanDerWaalsContact NH1-OH 3.12Å; R627-Y631 WeakPolarHBondContact O-CD2 3.42Å; R627-Y631 PolarHBondContact O-N 2.92Å
628L98.6Very high98.2Very high0 Ų030.5 Ų30.50%015%0.145CC..Hα-helixtrans-58.6-47.9172.217553.3000110.8L623 T624 Q630 Y631 L632 L635 F652 L653 K656 I663L623-L628 HydrophobicContact CD2-CB 3.75Å; L623-L628 HydrophobicContact CD2-CD1 3.87Å; L623-L628 HydrophobicContact CD2-CG 4.3Å; L623-L628 HydrophobicContact CG-CB 4.02Å; T624-L628 WeakPolarHBondContact O-CB 3.33Å; T624-L628 PolarHBondContact O-N 2.94Å; L628-Q630 PolarHBondContact O-N 3.41Å; L628-Y631 CarbonylContact O-C 3.53Å; L628-Y631 PolarHBondContact O-N 3.38Å; L628-L632 HydrophobicContact CD1-CD1 4.11Å; L628-L632 WeakPolarHBondContact O-CA 3.32Å; L628-L632 WeakPolarHBondContact O-CB 3.19Å; L628-L632 PolarHBondContact O-N 2.95Å; L628-L635 HydrophobicContact CD1-CD1 3.38Å; L628-F652 HydrophobicContact CD1-CE1 4.38Å; L628-F652 HydrophobicContact CD2-CE1 4.48Å; L628-F652 HydrophobicContact CD2-CZ 4.27Å; L628-L653 HydrophobicContact CD1-CD2 3.91Å; L628-K656 HydrophobicContact CD2-CB 3.6Å; L628-K656 HydrophobicContact CD2-CD 3.9Å; L628-K656 HydrophobicContact CD2-CG 3.55Å; L628-I663 HydrophobicContact CB-CD1 4.48Å; L628-I663 HydrophobicContact CD2-CD1 3.77Å; L628-I663 HydrophobicContact CD2-CG2 4.46Å; L628-I663 HydrophobicContact CG-CD1 4.09Å
629S97.5Very high98.2Very high37 Ų3730.6 Ų30.626%0.25915%0.146SC..Hα-helixtrans-59.6-36.5175.1-57.90000111.8D625 D626 I663D625-S629 WeakPolarHBondContact O-CB 3.28Å; D625-S629 PolarHBondContact O-N 3.41Å; D625-S629 PolarHBondContact O-OG 3.31Å; D626-S629 PolarHBondContact O-N 2.96Å; S629-I663 WeakPolarHBondContact OG-CG1 3.19Å
630Q97.9Very high98.2Very high18 Ų1831.6 Ų31.68%0.08415%0.15CC..Hα-helixtrans-71.2-32.1179-173174.6-50.300113.4D626 R627 L628 Q815 I819D626-Q630 PolarHBondContact O-N 3.2Å; R627-Q630 CarbonylContact O-C 3.58Å; R627-Q630 WeakPolarHBondContact O-CB 3.37Å; R627-Q630 PolarHBondContact O-N 3.23Å; R627-Q630 VanDerWaalsContact O-N 3.12Å; L628-Q630 PolarHBondContact O-N 3.41Å; Q630-Q815 PolarHBondContact O-NE2 3.38Å; Q630-I819 HydrophobicContact CG-CG1 4.26Å
631Y98.6Very high98.2Very high0 Ų027.5 Ų27.50%013%0.13CC..Hα-helixtrans-107.810.1-178.2-54.3-50.1000113.7E596 M599 L623 R627 L628 I633 Q634 L635 I819 L997 L1001E596-Y631 HydrophobicContact CG-CE2 4.3Å; M599-Y631 HydrophobicContact CE-CD1 4.21Å; M599-Y631 HydrophobicContact CE-CD2 3.56Å; M599-Y631 HydrophobicContact CE-CE1 4.44Å; M599-Y631 HydrophobicContact CE-CE2 3.85Å; M599-Y631 HydrophobicContact CE-CG 3.77Å; M599-Y631 HydrophobicContact SD-CD2 3.98Å; M599-Y631 HydrophobicContact SD-CG 3.96Å; L623-Y631 HydrophobicContact CD1-CD2 4.27Å; R627-Y631 HydrophobicContact CB-CD2 4.26Å; R627-Y631 HydrophobicContact CB-CE2 4.07Å; R627-Y631 PolarHBondContact NH1-OH 3.18Å; R627-Y631 VanDerWaalsContact NH1-OH 3.12Å; R627-Y631 WeakPolarHBondContact O-CD2 3.42Å; R627-Y631 PolarHBondContact O-N 2.92Å; L628-Y631 CarbonylContact O-C 3.53Å; L628-Y631 PolarHBondContact O-N 3.38Å; Y631-I633 VanDerWaalsContact C-N 3.26Å; Y631-I633 PolarHBondContact O-N 3Å; Y631-Q634 PolarHBondContact O-N 3.36Å; Y631-Q634 PolarHBondContact O-OE1 2.91Å; Y631-L635 PolarHBondContact O-N 3.12Å; Y631-L635 VanDerWaalsContact O-N 3.08Å; Y631-I819 HydrophobicContact CD1-CD1 4.4Å; Y631-I819 HydrophobicContact CE1-CD1 3.89Å; Y631-L997 HydrophobicContact CE1-CD1 4.27Å; Y631-L1001 HydrophobicContact CD1-CD2 3.62Å; Y631-L1001 HydrophobicContact CE1-CD1 4.38Å; Y631-L1001 HydrophobicContact CE1-CD2 3.99Å
632L98.8Very high98.2Very high2 Ų221.7 Ų21.71%0.0111%0.105CC..Hα-helixtrans-60.6-35.1-171.8-170.561.1000112.8L628 L635 V636 L653 I663 F666 F667L628-L632 HydrophobicContact CD1-CD1 4.11Å; L628-L632 WeakPolarHBondContact O-CA 3.32Å; L628-L632 WeakPolarHBondContact O-CB 3.19Å; L628-L632 PolarHBondContact O-N 2.95Å; L632-L635 PolarHBondContact O-N 3.23Å; L632-V636 HydrophobicContact CD1-CG2 4.37Å; L632-V636 HydrophobicContact CG-CG2 4.39Å; L632-V636 WeakPolarHBondContact O-CB 3.47Å; L632-V636 WeakPolarHBondContact O-CG2 3.1Å; L632-V636 PolarHBondContact O-N 3.31Å; L632-L653 HydrophobicContact CD1-CD2 4.38Å; L632-I663 HydrophobicContact CD1-CG2 4.44Å; L632-I663 HydrophobicContact CD2-CG2 4.36Å; L632-F666 HydrophobicContact CD2-CB 3.77Å; L632-F667 HydrophobicContact CD2-CB 4.35Å
633I98.4Very high98.2Very high27 Ų2717.1 Ų17.114%0.1389%0.088CC..Hα-helixtrans-58.1-52.8177.8-60.5174.1000109.5Y631 L635 V636 Q637 M811 M1005Y631-I633 VanDerWaalsContact C-N 3.26Å; Y631-I633 PolarHBondContact O-N 3Å; I633-L635 PolarHBondContact O-N 2.55Å; I633-V636 PolarHBondContact O-N 2.94Å; I633-Q637 WeakPolarHBondContact O-CG 3.43Å; I633-Q637 PolarHBondContact O-N 3.14Å; I633-M811 HydrophobicContact CD1-CE 3.9Å; I633-M811 HydrophobicContact CG1-CE 4.48Å; I633-M1005 HydrophobicContact CG2-CE 3.68Å; I633-M1005 HydrophobicContact CG2-SD 3.74Å
634Q98.8Very high98.2Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-61.5-44.9179.4-71.576.111.500111.4Y631 V636 Q637 V638 L1001 M1004 M1005Y631-Q634 PolarHBondContact O-N 3.36Å; Y631-Q634 PolarHBondContact O-OE1 2.91Å; Q634-V636 VanDerWaalsContact C-N 3.3Å; Q634-V636 PolarHBondContact O-N 2.64Å; Q634-Q637 WeakPolarHBondContact O-CB 3.45Å; Q634-Q637 PolarHBondContact O-N 3.41Å; Q634-V638 WeakPolarHBondContact O-CG2 3.2Å; Q634-V638 PolarHBondContact O-N 3.15Å; Q634-L1001 HydrophobicContact CG-CB 4.44Å; Q634-L1001 HydrophobicContact CG-CD2 3.77Å; Q634-M1004 HydrophobicContact CB-CB 3.86Å; Q634-M1004 HydrophobicContact CB-CE 3.71Å; Q634-M1004 HydrophobicContact CB-CG 4.49Å; Q634-M1004 HydrophobicContact CB-SD 3.8Å; Q634-M1004 HydrophobicContact CG-CB 3.97Å; Q634-M1004 HydrophobicContact CG-SD 4.27Å; Q634-M1005 HydrophobicContact CG-CG 4.14Å; Q634-M1005 HydrophobicContact CG-SD 3.99Å
635L98.9Very high98.2Very high0 Ų015.6 Ų15.60%08%0.075CC..Hα-helixtrans-63.5-34.5-179.8-69.8169000112.7M599 L602 L619 L623 L628 Y631 L632 I633 V638 L649 L653 M1004M599-L635 HydrophobicContact CG-CD2 4.34Å; M599-L635 HydrophobicContact SD-CD2 4.39Å; L602-L635 HydrophobicContact CD1-CD2 3.99Å; L619-L635 HydrophobicContact CD1-CD2 3.82Å; L623-L635 HydrophobicContact CD2-CD1 4.06Å; L628-L635 HydrophobicContact CD1-CD1 3.38Å; Y631-L635 PolarHBondContact O-N 3.12Å; Y631-L635 VanDerWaalsContact O-N 3.08Å; L632-L635 PolarHBondContact O-N 3.23Å; I633-L635 PolarHBondContact O-N 2.55Å; L635-V638 VanDerWaalsContact O-CG2 3.27Å; L635-V638 WeakPolarHBondContact O-CG2 3.35Å; L635-L649 HydrophobicContact CD2-CD1 4.36Å; L635-L653 HydrophobicContact CB-CD1 4.2Å; L635-L653 HydrophobicContact CB-CD2 4.04Å; L635-L653 HydrophobicContact CD1-CD2 4.29Å; L635-M1004 HydrophobicContact CD2-CE 4.13Å
636V98.8Very high98.2Very high0 Ų015.6 Ų15.60%08%0.075CC..Hα-helixtrans-70.4-39.1171.2170.40000111.3L632 I633 Q634 L639 F667 H670 L671 F684L632-V636 HydrophobicContact CD1-CG2 4.37Å; L632-V636 HydrophobicContact CG-CG2 4.39Å; L632-V636 WeakPolarHBondContact O-CB 3.47Å; L632-V636 WeakPolarHBondContact O-CG2 3.1Å; L632-V636 PolarHBondContact O-N 3.31Å; I633-V636 PolarHBondContact O-N 2.94Å; Q634-V636 VanDerWaalsContact C-N 3.3Å; Q634-V636 PolarHBondContact O-N 2.64Å; V636-L639 WeakPolarHBondContact O-CB 3.15Å; V636-L639 PolarHBondContact O-N 2.8Å; V636-F667 HydrophobicContact CG2-CD2 4.16Å; V636-H670 HydrophobicContact CB-CB 4.49Å; V636-H670 HydrophobicContact CG1-CB 4.2Å; V636-H670 HydrophobicContact CG2-CB 4.3Å; V636-L671 HydrophobicContact CG1-CD2 3.77Å; V636-L671 HydrophobicContact CG1-CG 4.39Å; V636-F684 HydrophobicContact CG1-CE2 4.4Å; V636-F684 HydrophobicContact CG1-CZ 4.07Å
637Q98.4Very high98.3Very high10 Ų1015.6 Ų15.65%0.0478%0.075CC..Hα-helixtrans-64.5-41.4178.3-69.3-47.2-63.500112.8I633 Q634 L639 K640 E674 M1004 M1005I633-Q637 WeakPolarHBondContact O-CG 3.43Å; I633-Q637 PolarHBondContact O-N 3.14Å; Q634-Q637 WeakPolarHBondContact O-CB 3.45Å; Q634-Q637 PolarHBondContact O-N 3.41Å; Q637-L639 PolarHBondContact O-N 3.04Å; Q637-K640 VanDerWaalsContact O-CB 3.26Å; Q637-K640 WeakPolarHBondContact O-CB 3.32Å; Q637-K640 WeakPolarHBondContact O-CG 3.04Å; Q637-K640 PolarHBondContact O-N 3.19Å; Q637-K640 VanDerWaalsContact O-N 3.07Å; Q637-K640 VanDerWaalsContact OE1-CE 3.25Å; Q637-E674 PolarHBondContact NE2-OE1 3.22Å; Q637-E674 PolarHBondContact OE1-OE1 3.35Å; Q637-M1004 VanDerWaalsContact CB-O 3.3Å; Q637-M1004 WeakPolarHBondContact CB-O 3.35Å; Q637-M1005 HydrophobicContact CB-SD 4.19Å; Q637-M1005 HydrophobicContact CG-CE 3.74Å; Q637-M1005 HydrophobicContact CG-SD 3.44Å; Q637-M1005 WeakPolarHBondContact CG-SD 3.45Å
638V98.6Very high98.4Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-70.3-13.9-178.4-65.10000113.9L602 Q634 L635 K640 Y641 L649 M1004L602-V638 HydrophobicContact CB-CB 4.34Å; L602-V638 HydrophobicContact CB-CG1 4.46Å; L602-V638 HydrophobicContact CB-CG2 4.13Å; L602-V638 WeakPolarHBondContact O-CB 3.26Å; L602-V638 WeakPolarHBondContact O-CG1 3.44Å; Q634-V638 WeakPolarHBondContact O-CG2 3.2Å; Q634-V638 PolarHBondContact O-N 3.15Å; L635-V638 VanDerWaalsContact O-CG2 3.27Å; L635-V638 WeakPolarHBondContact O-CG2 3.35Å; V638-K640 PolarHBondContact O-N 3.28Å; V638-K640 VanDerWaalsContact O-N 3.11Å; V638-Y641 HydrophobicContact CB-CD2 4.01Å; V638-Y641 HydrophobicContact CB-CE2 4.46Å; V638-Y641 HydrophobicContact CG1-CD2 3.97Å; V638-Y641 HydrophobicContact CG1-CE2 4Å; V638-Y641 WeakPolarHBondContact O-CB 3.02Å; V638-Y641 PolarHBondContact O-N 3.22Å; V638-L649 HydrophobicContact CG2-CD2 3.63Å; V638-M1004 HydrophobicContact CB-CE 4.41Å; V638-M1004 HydrophobicContact CG1-CB 3.69Å; V638-M1004 HydrophobicContact CG1-CE 3.55Å; V638-M1004 HydrophobicContact CG1-CG 3.7Å; V638-M1004 HydrophobicContact CG2-CE 3.94Å
639L98.7Very high98.4Very high3 Ų315.2 Ų15.22%0.0168%0.08CC..THydrogen-bonded Turntrans-59.1-20168.3-70.1173.3000112.7V636 Q637 Y641 E642 L649 A650 L653 R683 F684 L687V636-L639 WeakPolarHBondContact O-CB 3.15Å; V636-L639 PolarHBondContact O-N 2.8Å; Q637-L639 PolarHBondContact O-N 3.04Å; L639-Y641 VanDerWaalsContact C-N 3.28Å; L639-E642 HydrophobicContact CD2-CG 4.5Å; L639-L649 HydrophobicContact CD2-CB 4.3Å; L639-L649 HydrophobicContact CD2-CD2 3.9Å; L639-L649 HydrophobicContact CD2-CG 3.84Å; L639-L649 HydrophobicContact CG-CD2 4.41Å; L639-A650 HydrophobicContact CD2-CB 3.97Å; L639-L653 HydrophobicContact CD1-CD1 3.98Å; L639-L653 HydrophobicContact CD2-CD1 4.22Å; L639-L653 HydrophobicContact CG-CD1 4.11Å; L639-R683 WeakPolarHBondContact O-CD 3.44Å; L639-F684 HydrophobicContact CB-CE1 4.27Å; L639-L687 HydrophobicContact CD1-CD2 3.84Å
640K98Very high98.4Very high20 Ų2013.6 Ų13.69%0.0877%0.069CC..THydrogen-bonded Turntrans-73.2-22176-57.6-179.3-175.5178.10112.8Q637 V638 E674 V680 F684 G1007Q637-K640 VanDerWaalsContact O-CB 3.26Å; Q637-K640 WeakPolarHBondContact O-CB 3.32Å; Q637-K640 WeakPolarHBondContact O-CG 3.04Å; Q637-K640 PolarHBondContact O-N 3.19Å; Q637-K640 VanDerWaalsContact O-N 3.07Å; Q637-K640 VanDerWaalsContact OE1-CE 3.25Å; V638-K640 PolarHBondContact O-N 3.28Å; V638-K640 VanDerWaalsContact O-N 3.11Å; K640-E674 WeakPolarHBondContact CE-OE1 3.19Å; K640-E674 WeakPolarHBondContact CE-OE2 3.44Å; K640-E674 IonicContact NZ-OE1 3.75Å; K640-E674 PolarHBondContact NZ-OE1 3.46Å; K640-E674 IonicContact NZ-OE2 3.91Å; K640-E674 PolarHBondContact NZ-OE2 2.95Å; K640-V680 HydrophobicContact CD-CG1 3.77Å; K640-V680 HydrophobicContact CG-CG1 3.65Å; K640-F684 HydrophobicContact CG-CZ 4.15Å; K640-G1007 WeakPolarHBondContact CD-O 3.39Å; K640-G1007 PolarHBondContact NZ-O 3.06Å
641Y97.9Very high98.5Very high27 Ų2716 Ų1611%0.1068%0.078CC..THydrogen-bonded Turntrans-89.4-14.1177.7-52.9-43.3000112.8I459 C604 V638 L639 Q643 L1006 G1007I459-Y641 HydrophobicContact CG2-CE1 4.09Å; C604-Y641 HydrophobicContact CB-CD1 3.98Å; C604-Y641 HydrophobicContact CB-CD2 4.27Å; C604-Y641 HydrophobicContact CB-CE1 3.86Å; C604-Y641 HydrophobicContact CB-CE2 4.14Å; C604-Y641 HydrophobicContact CB-CG 4.18Å; V638-Y641 HydrophobicContact CB-CD2 4.01Å; V638-Y641 HydrophobicContact CB-CE2 4.46Å; V638-Y641 HydrophobicContact CG1-CD2 3.97Å; V638-Y641 HydrophobicContact CG1-CE2 4Å; V638-Y641 WeakPolarHBondContact O-CB 3.02Å; V638-Y641 PolarHBondContact O-N 3.22Å; L639-Y641 VanDerWaalsContact C-N 3.28Å; Y641-Q643 PolarHBondContact O-N 2.95Å; Y641-L1006 WeakPolarHBondContact OH-CB 3.37Å; Y641-G1007 PolarHBondContact OH-N 3.43Å
642E98.4Very high98.5Very high15 Ų1516.4 Ų16.47%0.078%0.079CC..  trans-62.4127.4174.5-69-63.4152.400110.8R612 L639 Y644 N647 R683R612-E642 WeakPolarHBondContact CD-OE1 3.25Å; R612-E642 IonicContact CZ-OE1 3.93Å; R612-E642 IonicContact NE-OE1 3.46Å; R612-E642 IonicContact NH1-OE1 3.83Å; R612-E642 PolarHBondContact NH1-OE1 3.24Å; L639-E642 HydrophobicContact CD2-CG 4.5Å; E642-Y644 VanDerWaalsContact C-N 3.25Å; E642-Y644 PolarHBondContact O-N 3.25Å; E642-N647 WeakPolarHBondContact CB-ND2 3.39Å; E642-R683 PolarHBondContact O-NH2 3.4Å
643Q97.4Very high98.5Very high15 Ų1516.4 Ų16.47%0.078%0.079CC..SBendtrans-63.4-33.3-176.7-64.8-167.5-7100112.9A399 N428 Y641A399-Q643 PolarHBondContact O-NE2 2.69Å; N428-Q643 PolarHBondContact ND2-O 3.22Å; N428-Q643 VanDerWaalsContact ND2-O 3.14Å; N428-Q643 PolarHBondContact OD1-NE2 2.71Å; N428-Q643 VanDerWaalsContact OD1-NE2 3.07Å; Y641-Q643 PolarHBondContact O-N 2.95Å
644Y98.1Very high98.5Very high25 Ų2515.1 Ų15.110%0.0987%0.073CC..SBendtrans-127.7156.2-172.8-51.7-62.1000111.6E135 R398 F430 D431 Y432 E642 N647 R683E135-Y644 WeakPolarHBondContact OE1-CA 3.49Å; E135-Y644 VanDerWaalsContact OE1-CB 3.31Å; E135-Y644 WeakPolarHBondContact OE1-CB 3.38Å; R398-Y644 PolarHBondContact NH1-OH 3.35Å; R398-Y644 PolarHBondContact NH2-OH 3.09Å; F430-Y644 VanDerWaalsContact C-OH 3.32Å; F430-Y644 PolarHBondContact O-OH 2.97Å; D431-Y644 PolarHBondContact O-OH 3.35Å; D431-Y644 VanDerWaalsContact O-OH 3.08Å; Y432-Y644 VanDerWaalsContact N-CE1 3.27Å; E642-Y644 VanDerWaalsContact C-N 3.25Å; E642-Y644 PolarHBondContact O-N 3.25Å; Y644-N647 PolarHBondContact O-ND2 3.12Å; Y644-R683 PolarHBondContact O-NH1 2.98Å; Y644-R683 PolarHBondContact O-NH2 2.98Å
645L98.4Very high98.5Very high12 Ų1219 Ų196%0.0639%0.089CC..SBendtrans-61.6-45.9178.6-66.3175000111.6E135 V136 F139 N647 R683 L686E135-L645 HydrophobicContact CG-CB 4.46Å; E135-L645 HydrophobicContact CG-CD1 4.16Å; E135-L645 HydrophobicContact CG-CG 4.4Å; E135-L645 PolarHBondContact OE1-N 3.31Å; V136-L645 HydrophobicContact CB-CD1 4.36Å; V136-L645 HydrophobicContact CG2-CD1 3.69Å; F139-L645 HydrophobicContact CB-CB 4Å; F139-L645 HydrophobicContact CB-CD1 4.29Å; F139-L645 HydrophobicContact CD2-CB 3.76Å; F139-L645 HydrophobicContact CE2-CB 4.45Å; F139-L645 VanDerWaalsContact CE2-O 3.29Å; F139-L645 WeakPolarHBondContact CE2-O 3.3Å; F139-L645 HydrophobicContact CG-CB 3.9Å; L645-N647 PolarHBondContact O-ND2 2.91Å; L645-R683 HydrophobicContact CD2-CB 3.76Å; L645-R683 HydrophobicContact CD2-CG 3.88Å; L645-L686 HydrophobicContact CD1-CD1 3.82Å; L645-L686 HydrophobicContact CD2-CD1 4.33Å
646D98.4Very high98.5Very high48 Ų4821 Ų2126%0.25710%0.098SC..SBendtrans-92.3111.7179-162.3-10.8000110.5F139 N142 R651F139-D646 HydrophobicContact CD2-CB 3.97Å; N142-D646 WeakPolarHBondContact CB-OD2 3.29Å; D646-R651 IonicContact OD1-CZ 2.75Å; D646-R651 IonicContact OD1-NE 3.16Å; D646-R651 PolarHBondContact OD1-NE 3.41Å; D646-R651 IonicContact OD1-NH2 2.71Å; D646-R651 PolarHBondContact OD1-NH2 3.02Å; D646-R651 IonicContact OD2-CZ 3.43Å; D646-R651 IonicContact OD2-NE 2.64Å; D646-R651 IonicContact OD2-NH2 3.81Å; D646-R651 PolarHBondContact OD2-NH2 3.49Å
647N98.6Very high98.5Very high11 Ų1121 Ų216%0.05910%0.098CC..  trans-153162.3-178.863.174.1000110.9E642 Y644 L645 L649 A650 R651E642-N647 WeakPolarHBondContact CB-ND2 3.39Å; Y644-N647 PolarHBondContact O-ND2 3.12Å; L645-N647 PolarHBondContact O-ND2 2.91Å; N647-L649 VanDerWaalsContact C-N 3.3Å; N647-L649 PolarHBondContact O-N 2.93Å; N647-L649 WeakPolarHBondContact OD1-CB 3.41Å; N647-L649 PolarHBondContact OD1-N 2.93Å; N647-L649 VanDerWaalsContact OD1-N 3.16Å; N647-A650 PolarHBondContact O-N 3.47Å; N647-A650 PolarHBondContact OD1-N 2.71Å; N647-R651 WeakPolarHBondContact O-CG 3.35Å; N647-R651 PolarHBondContact O-N 2.73Å
648P98.7Very high98.6Very high49 Ų4920.6 Ų20.632%0.31810%0.096SC..Hα-helixtrans-56.9-38.9-178.1-27.236.1000113.9D613 V616 R651 F652D613-P648 HydrophobicContact CB-CG 4.36Å; V616-P648 HydrophobicContact CB-CB 4.14Å; V616-P648 HydrophobicContact CG1-CB 4Å; V616-P648 HydrophobicContact CG2-CB 4.17Å; P648-R651 PolarHBondContact O-N 2.88Å; P648-F652 WeakPolarHBondContact O-CB 3.49Å; P648-F652 PolarHBondContact O-N 3.42Å
649L98.9Very high98.5Very high0 Ų022.3 Ų22.30%011%0.107CC..Hα-helixtrans-67.4-45.7-177.7-179.963.1000111.9L602 V616 L635 V638 L639 N647 R651 F652 L653L602-L649 HydrophobicContact CD1-CD1 4.16Å; L602-L649 HydrophobicContact CD1-CD2 4.31Å; L602-L649 HydrophobicContact CD2-CD2 4.48Å; V616-L649 HydrophobicContact CG2-CB 3.79Å; V616-L649 HydrophobicContact CG2-CD1 4.13Å; L635-L649 HydrophobicContact CD2-CD1 4.36Å; V638-L649 HydrophobicContact CG2-CD2 3.63Å; L639-L649 HydrophobicContact CD2-CB 4.3Å; L639-L649 HydrophobicContact CD2-CD2 3.9Å; L639-L649 HydrophobicContact CD2-CG 3.84Å; L639-L649 HydrophobicContact CG-CD2 4.41Å; N647-L649 VanDerWaalsContact C-N 3.3Å; N647-L649 PolarHBondContact O-N 2.93Å; N647-L649 WeakPolarHBondContact OD1-CB 3.41Å; N647-L649 PolarHBondContact OD1-N 2.93Å; N647-L649 VanDerWaalsContact OD1-N 3.16Å; L649-R651 VanDerWaalsContact C-N 3.3Å; L649-R651 PolarHBondContact O-N 3.18Å; L649-F652 HydrophobicContact CD1-CD1 4.33Å; L649-F652 PolarHBondContact O-N 3.47Å; L649-L653 HydrophobicContact CD1-CD1 4.02Å; L649-L653 HydrophobicContact CD1-CG 4.04Å; L649-L653 HydrophobicContact CG-CD1 4.05Å; L649-L653 HydrophobicContact CG-CG 4.42Å; L649-L653 WeakPolarHBondContact O-CG 3.43Å; L649-L653 PolarHBondContact O-N 2.95Å
650A98.8Very high98.5Very high4 Ų422.4 Ų22.43%0.03311%0.108CC..Hα-helixtrans-60-41.4176.600000111.5L639 N647 L654L639-A650 HydrophobicContact CD2-CB 3.97Å; N647-A650 PolarHBondContact O-N 3.47Å; N647-A650 PolarHBondContact OD1-N 2.71Å; A650-L654 VanDerWaalsContact O-CB 3.29Å; A650-L654 WeakPolarHBondContact O-CB 3.39Å; A650-L654 PolarHBondContact O-N 3.15Å
651R98.9Very high98.6Very high69 Ų6922.7 Ų22.726%0.2611%0.109SC..Hα-helixtrans-64.8-46.1175.9-68.8177.3171.9-86.3-6.1112I143 V146 D646 N647 P648 L649 K655I143-R651 HydrophobicContact CD1-CG 4.05Å; V146-R651 HydrophobicContact CG2-CB 4.03Å; V146-R651 HydrophobicContact CG2-CG 3.96Å; D646-R651 IonicContact OD1-CZ 2.75Å; D646-R651 IonicContact OD1-NE 3.16Å; D646-R651 PolarHBondContact OD1-NE 3.41Å; D646-R651 IonicContact OD1-NH2 2.71Å; D646-R651 PolarHBondContact OD1-NH2 3.02Å; D646-R651 IonicContact OD2-CZ 3.43Å; D646-R651 IonicContact OD2-NE 2.64Å; D646-R651 IonicContact OD2-NH2 3.81Å; D646-R651 PolarHBondContact OD2-NH2 3.49Å; N647-R651 WeakPolarHBondContact O-CG 3.35Å; N647-R651 PolarHBondContact O-N 2.73Å; P648-R651 PolarHBondContact O-N 2.88Å; L649-R651 VanDerWaalsContact C-N 3.3Å; L649-R651 PolarHBondContact O-N 3.18Å; R651-K655 VanDerWaalsContact O-CB 3.3Å; R651-K655 WeakPolarHBondContact O-CB 3.42Å; R651-K655 PolarHBondContact O-N 3.5Å
652F98.9Very high98.6Very high7 Ų723.5 Ų23.53%0.03111%0.112CC..Hα-helixtrans-58.9-51177.1167-107.6000111.9V616 L619 E620 L623 L628 P648 L649 K655 K656V616-F652 HydrophobicContact CG1-CB 3.91Å; V616-F652 HydrophobicContact CG1-CG 4.32Å; L619-F652 HydrophobicContact CB-CE1 4.11Å; L619-F652 HydrophobicContact CB-CZ 4.04Å; L619-F652 HydrophobicContact CD1-CE1 4.25Å; E620-F652 HydrophobicContact CG-CD2 3.52Å; E620-F652 HydrophobicContact CG-CE2 3.88Å; E620-F652 HydrophobicContact CG-CG 4.38Å; L623-F652 HydrophobicContact CD2-CE1 4.36Å; L623-F652 HydrophobicContact CD2-CZ 4.25Å; L628-F652 HydrophobicContact CD1-CE1 4.38Å; L628-F652 HydrophobicContact CD2-CE1 4.48Å; L628-F652 HydrophobicContact CD2-CZ 4.27Å; P648-F652 WeakPolarHBondContact O-CB 3.49Å; P648-F652 PolarHBondContact O-N 3.42Å; L649-F652 HydrophobicContact CD1-CD1 4.33Å; L649-F652 PolarHBondContact O-N 3.47Å; F652-K655 PolarHBondContact O-N 3.47Å; F652-K656 HydrophobicContact CD2-CG 4.16Å; F652-K656 HydrophobicContact CE2-CD 4.34Å; F652-K656 HydrophobicContact CE2-CG 3.75Å; F652-K656 HydrophobicContact CZ-CG 3.96Å; F652-K656 WeakPolarHBondContact O-CG 3.32Å; F652-K656 PolarHBondContact O-N 2.72Å
653L98.9Very high98.6Very high2 Ų222.9 Ų22.91%0.0111%0.109CC..Hα-helixtrans-65.1-42.6-178.3-67.4177000111.8L628 L632 L635 L639 L649 K656 A657 F667L628-L653 HydrophobicContact CD1-CD2 3.91Å; L632-L653 HydrophobicContact CD1-CD2 4.38Å; L635-L653 HydrophobicContact CB-CD1 4.2Å; L635-L653 HydrophobicContact CB-CD2 4.04Å; L635-L653 HydrophobicContact CD1-CD2 4.29Å; L639-L653 HydrophobicContact CD1-CD1 3.98Å; L639-L653 HydrophobicContact CD2-CD1 4.22Å; L639-L653 HydrophobicContact CG-CD1 4.11Å; L649-L653 HydrophobicContact CD1-CD1 4.02Å; L649-L653 HydrophobicContact CD1-CG 4.04Å; L649-L653 HydrophobicContact CG-CD1 4.05Å; L649-L653 HydrophobicContact CG-CG 4.42Å; L649-L653 WeakPolarHBondContact O-CG 3.43Å; L649-L653 PolarHBondContact O-N 2.95Å; L653-K656 PolarHBondContact O-N 2.99Å; L653-A657 VanDerWaalsContact O-CB 3.27Å; L653-A657 WeakPolarHBondContact O-CB 3.44Å; L653-A657 PolarHBondContact O-N 3.39Å; L653-F667 HydrophobicContact CB-CE2 3.91Å
654L98.9Very high98.7Very high0 Ų022.2 Ų22.20%011%0.106CC..Hα-helixtrans-62.5-44175.4-178.663.8000111.4I143 V146 A650 K656 A657 L658 F667 L687 S690 Y691I143-L654 HydrophobicContact CD1-CD2 3.72Å; I143-L654 HydrophobicContact CG1-CD2 3.41Å; I143-L654 VanDerWaalsContact CG1-CD2 3.41Å; V146-L654 HydrophobicContact CB-CD2 4.24Å; V146-L654 HydrophobicContact CG1-CB 4.26Å; V146-L654 HydrophobicContact CG1-CD2 4.08Å; V146-L654 HydrophobicContact CG1-CG 4.1Å; A650-L654 VanDerWaalsContact O-CB 3.29Å; A650-L654 WeakPolarHBondContact O-CB 3.39Å; A650-L654 PolarHBondContact O-N 3.15Å; L654-K656 PolarHBondContact O-N 3.48Å; L654-A657 PolarHBondContact O-N 3.21Å; L654-L658 HydrophobicContact CD1-CD1 3.85Å; L654-L658 HydrophobicContact CD1-CG 4.08Å; L654-L658 HydrophobicContact CG-CD1 3.87Å; L654-L658 HydrophobicContact CG-CG 4.43Å; L654-L658 WeakPolarHBondContact O-CB 3.42Å; L654-L658 WeakPolarHBondContact O-CG 3.34Å; L654-L658 PolarHBondContact O-N 3.47Å; L654-F667 HydrophobicContact CD1-CE1 4.36Å; L654-L687 HydrophobicContact CB-CD1 4.17Å; L654-L687 HydrophobicContact CD1-CD1 4.37Å; L654-L687 HydrophobicContact CD2-CD1 4.35Å; L654-S690 WeakPolarHBondContact CD2-OG 3.3Å; L654-Y691 HydrophobicContact CD1-CD2 4.45Å
655K98.9Very high98.7Very high81 Ų8121 Ų2135%0.35210%0.101SC..Hα-helixtrans-56.9-50.6177-173.5165.6-173.21560110.5V146 E149 S150 R651 F652 L658 T659V146-K655 HydrophobicContact CG1-CB 3.81Å; E149-K655 IonicContact OE2-NZ 2.8Å; E149-K655 PolarHBondContact OE2-NZ 3.31Å; S150-K655 PolarHBondContact OG-O 2.88Å; R651-K655 VanDerWaalsContact O-CB 3.3Å; R651-K655 WeakPolarHBondContact O-CB 3.42Å; R651-K655 PolarHBondContact O-N 3.5Å; F652-K655 PolarHBondContact O-N 3.47Å; K655-L658 PolarHBondContact O-N 2.88Å; K655-T659 VanDerWaalsContact O-CG2 3.3Å; K655-T659 WeakPolarHBondContact O-CG2 3.43Å; K655-T659 PolarHBondContact O-N 3.5Å; K655-T659 PolarHBondContact O-OG1 2.93Å; K655-T659 VanDerWaalsContact O-OG1 3.1Å
656K98.8Very high98.7Very high44 Ų4422.8 Ų22.819%0.19111%0.108CC..Hα-helixtrans-62-42.8178.4-73.5-69.3-166169.60113.1D625 L628 F652 L653 L654 L658 T659 N660D625-K656 IonicContact OD1-NZ 3.7Å; D625-K656 PolarHBondContact OD1-NZ 2.87Å; L628-K656 HydrophobicContact CD2-CB 3.6Å; L628-K656 HydrophobicContact CD2-CD 3.9Å; L628-K656 HydrophobicContact CD2-CG 3.55Å; F652-K656 HydrophobicContact CD2-CG 4.16Å; F652-K656 HydrophobicContact CE2-CD 4.34Å; F652-K656 HydrophobicContact CE2-CG 3.75Å; F652-K656 HydrophobicContact CZ-CG 3.96Å; F652-K656 WeakPolarHBondContact O-CG 3.32Å; F652-K656 PolarHBondContact O-N 2.72Å; L653-K656 PolarHBondContact O-N 2.99Å; L654-K656 PolarHBondContact O-N 3.48Å; K656-L658 VanDerWaalsContact C-N 3.29Å; K656-L658 PolarHBondContact O-N 2.95Å; K656-T659 PolarHBondContact O-N 2.88Å; K656-T659 PolarHBondContact O-OG1 2.86Å; K656-N660 PolarHBondContact O-N 3.31Å
657A98.9Very high98.8Very high0 Ų020.5 Ų20.50%010%0.096CC..Hα-helixtrans-61.4-36.5175.600000112.5L653 L654 I663 G664 F667 Y691L653-A657 VanDerWaalsContact O-CB 3.27Å; L653-A657 WeakPolarHBondContact O-CB 3.44Å; L653-A657 PolarHBondContact O-N 3.39Å; L654-A657 PolarHBondContact O-N 3.21Å; A657-I663 HydrophobicContact CB-CG2 4.49Å; A657-G664 WeakPolarHBondContact O-CA 3.29Å; A657-F667 HydrophobicContact CB-CB 4.04Å; A657-F667 HydrophobicContact CB-CD1 3.71Å; A657-F667 HydrophobicContact CB-CE1 4.19Å; A657-F667 HydrophobicContact CB-CG 3.85Å; A657-Y691 HydrophobicContact CB-CD2 4.03Å; A657-Y691 HydrophobicContact CB-CE2 4.03Å
658L98.6Very high98.8Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-83.8-12.3179-68.8175.6000114C147 R154 Y165 L654 K655 K656 Y691 A694 C695C147-L658 HydrophobicContact CB-CD1 4.48Å; R154-L658 VanDerWaalsContact CD-O 3.29Å; R154-L658 WeakPolarHBondContact CD-O 3.42Å; R154-L658 PolarHBondContact NH1-O 3.17Å; Y165-L658 WeakPolarHBondContact CD2-O 3.45Å; Y165-L658 WeakPolarHBondContact CE2-O 3.36Å; L654-L658 HydrophobicContact CD1-CD1 3.85Å; L654-L658 HydrophobicContact CD1-CG 4.08Å; L654-L658 HydrophobicContact CG-CD1 3.87Å; L654-L658 HydrophobicContact CG-CG 4.43Å; L654-L658 WeakPolarHBondContact O-CB 3.42Å; L654-L658 WeakPolarHBondContact O-CG 3.34Å; L654-L658 PolarHBondContact O-N 3.47Å; K655-L658 PolarHBondContact O-N 2.88Å; K656-L658 VanDerWaalsContact C-N 3.29Å; K656-L658 PolarHBondContact O-N 2.95Å; L658-Y691 HydrophobicContact CD2-CD2 3.71Å; L658-Y691 HydrophobicContact CD2-CE2 4.07Å; L658-Y691 HydrophobicContact CG-CD2 4.23Å; L658-A694 HydrophobicContact CD1-CB 3.67Å; L658-A694 HydrophobicContact CD2-CB 3.65Å; L658-A694 HydrophobicContact CG-CB 4.32Å; L658-C695 HydrophobicContact CD2-CB 4.18Å
659T98.1Very high98.8Very high37 Ų3717.9 Ų17.923%0.2278%0.079CC..Hα-helixtrans-105.9-7.6176.958.90000113.6L153 K655 K656L153-T659 HydrophobicContact CD2-CG2 3.84Å; K655-T659 VanDerWaalsContact O-CG2 3.3Å; K655-T659 WeakPolarHBondContact O-CG2 3.43Å; K655-T659 PolarHBondContact O-N 3.5Å; K655-T659 PolarHBondContact O-OG1 2.93Å; K655-T659 VanDerWaalsContact O-OG1 3.1Å; K656-T659 PolarHBondContact O-N 2.88Å; K656-T659 PolarHBondContact O-OG1 2.86Å
660N98.6Very high98.8Very high5 Ų518.6 Ų18.63%0.0278%0.083CC..  trans-143.4106.8177.5-178.6-45.7000109.4P168 D625 K656 R662 I663 G664P168-N660 VanDerWaalsContact CG-OD1 3.29Å; P168-N660 WeakPolarHBondContact CG-OD1 3.38Å; D625-N660 PolarHBondContact OD2-ND2 2.66Å; K656-N660 PolarHBondContact O-N 3.31Å; N660-R662 VanDerWaalsContact C-N 3.25Å; N660-R662 PolarHBondContact O-N 3.29Å; N660-R662 WeakPolarHBondContact OD1-CB 3.38Å; N660-R662 PolarHBondContact OD1-N 2.65Å; N660-R662 VanDerWaalsContact OD1-N 3.16Å; N660-I663 HydrophobicContact CB-CB 4.2Å; N660-I663 HydrophobicContact CB-CD1 3.92Å; N660-I663 HydrophobicContact CB-CG1 4.21Å; N660-I663 PolarHBondContact O-N 3.08Å; N660-I663 VanDerWaalsContact O-N 3.1Å; N660-I663 PolarHBondContact OD1-N 2.96Å; N660-I663 VanDerWaalsContact OD1-N 3.11Å; N660-G664 PolarHBondContact O-N 3.48Å
661Q98.5Very high98.8Very high26 Ų2618.4 Ų18.412%0.1218%0.081CC..Hα-helixtrans-65-26.5-173.4-168.2177.9-80.400113Y165 G664 H665 Y698Y165-Q661 HydrophobicContact CD2-CB 4.24Å; Y165-Q661 HydrophobicContact CE1-CB 4.48Å; Y165-Q661 HydrophobicContact CE2-CB 3.87Å; Y165-Q661 WeakPolarHBondContact O-CB 3.26Å; Y165-Q661 PolarHBondContact O-N 3.24Å; Q661-G664 PolarHBondContact O-N 3.34Å; Q661-H665 WeakPolarHBondContact O-CB 3.26Å; Q661-H665 PolarHBondContact O-N 3.29Å; Q661-Y698 HydrophobicContact CG-CD1 3.77Å; Q661-Y698 HydrophobicContact CG-CD2 3.81Å; Q661-Y698 HydrophobicContact CG-CE1 4Å; Q661-Y698 HydrophobicContact CG-CE2 4.05Å; Q661-Y698 HydrophobicContact CG-CG 3.68Å; Q661-Y698 VanDerWaalsContact NE2-CD2 3.26Å
662R98.7Very high98.8Very high44 Ų4416.6 Ų16.617%0.1668%0.075CC..Hα-helixtrans-66.3-43.1173.5-178.5175.665-131.50.7111.1P168 P169 N170 N660 F666P168-R662 HydrophobicContact CG-CB 3.88Å; P168-R662 PolarHBondContact O-NH1 2.86Å; P168-R662 VanDerWaalsContact O-NH1 3.15Å; P169-R662 PolarHBondContact O-NH1 3.32Å; P169-R662 PolarHBondContact O-NH2 3.46Å; N170-R662 VanDerWaalsContact CA-NH1 3.31Å; N660-R662 VanDerWaalsContact C-N 3.25Å; N660-R662 PolarHBondContact O-N 3.29Å; N660-R662 WeakPolarHBondContact OD1-CB 3.38Å; N660-R662 PolarHBondContact OD1-N 2.65Å; N660-R662 VanDerWaalsContact OD1-N 3.16Å; R662-F666 HydrophobicContact CG-CE2 4.41Å; R662-F666 WeakPolarHBondContact O-CD2 3.34Å
663I98.9Very high98.7Very high2 Ų216.7 Ų16.71%0.018%0.076CC..Hα-helixtrans-65.4-46.8172.7-66.9170.5000109.6D625 L628 S629 L632 A657 N660 H665 F666 F667D625-I663 HydrophobicContact CB-CD1 3.87Å; L628-I663 HydrophobicContact CB-CD1 4.48Å; L628-I663 HydrophobicContact CD2-CD1 3.77Å; L628-I663 HydrophobicContact CD2-CG2 4.46Å; L628-I663 HydrophobicContact CG-CD1 4.09Å; S629-I663 WeakPolarHBondContact OG-CG1 3.19Å; L632-I663 HydrophobicContact CD1-CG2 4.44Å; L632-I663 HydrophobicContact CD2-CG2 4.36Å; A657-I663 HydrophobicContact CB-CG2 4.49Å; N660-I663 HydrophobicContact CB-CB 4.2Å; N660-I663 HydrophobicContact CB-CD1 3.92Å; N660-I663 HydrophobicContact CB-CG1 4.21Å; N660-I663 PolarHBondContact O-N 3.08Å; N660-I663 VanDerWaalsContact O-N 3.1Å; N660-I663 PolarHBondContact OD1-N 2.96Å; N660-I663 VanDerWaalsContact OD1-N 3.11Å; I663-H665 VanDerWaalsContact C-N 3.28Å; I663-H665 PolarHBondContact O-N 3.09Å; I663-F666 PolarHBondContact O-N 2.97Å; I663-F667 VanDerWaalsContact O-CB 3.25Å; I663-F667 WeakPolarHBondContact O-CB 3.48Å; I663-F667 PolarHBondContact O-N 3.3Å
664G98.9Very high98.6Very high0 Ų016.7 Ų16.70%08%0.076CC..Hα-helixtrans-56.9-38.9178.900000113.9A657 N660 Q661 F667 F668 Y691A657-G664 WeakPolarHBondContact O-CA 3.29Å; N660-G664 PolarHBondContact O-N 3.48Å; Q661-G664 PolarHBondContact O-N 3.34Å; G664-F667 PolarHBondContact O-N 2.79Å; G664-F668 WeakPolarHBondContact O-CB 3.15Å; G664-F668 PolarHBondContact O-N 2.73Å; G664-Y691 WeakPolarHBondContact CA-OH 3.18Å; G664-Y691 PolarHBondContact O-OH 3.14Å; G664-Y691 VanDerWaalsContact O-OH 3.11Å
665H98.9Very high98.5Very high0 Ų017.1 Ų17.10%08%0.079CC..Hα-helixtrans-57.9-53.3175.317676.4000112.8Q661 I663 F668 W669 Y698 Q705 P754 P757Q661-H665 WeakPolarHBondContact O-CB 3.26Å; Q661-H665 PolarHBondContact O-N 3.29Å; I663-H665 VanDerWaalsContact C-N 3.28Å; I663-H665 PolarHBondContact O-N 3.09Å; H665-F668 PolarHBondContact O-N 3.02Å; H665-W669 AromaticContact CE1-CD1 3.43Å; H665-W669 VanDerWaalsContact CE1-CD1 3.43Å; H665-W669 AromaticContact CE1-NE1 3.38Å; H665-W669 PolarHBondContact CE1-NE1 3.48Å; H665-W669 AromaticContact ND1-CD1 3.88Å; H665-W669 AromaticContact ND1-NE1 3.95Å; H665-W669 AromaticContact NE2-CD1 3.6Å; H665-W669 AromaticContact NE2-NE1 3.94Å; H665-W669 VanDerWaalsContact O-CD1 3.32Å; H665-W669 PolarHBondContact O-N 3.34Å; H665-W669 VanDerWaalsContact O-N 3.15Å; H665-Y698 HydrophobicContact CB-CE1 3.93Å; H665-Y698 AromaticContact ND1-CE1 3.99Å; H665-Y698 AromaticContact ND1-CZ 3.75Å; H665-Y698 PolarHBondContact ND1-OH 3.03Å; H665-Q705 PolarHBondContact CE1-OE1 2.85Å; H665-P754 PolarHBondContact NE2-O 2.93Å; H665-P757 HydrophobicContact CB-CG 4.21Å
666F98.9Very high98.2Very high49 Ų4916.6 Ų16.622%0.2158%0.077CC..Hα-helixtrans-75.2-31.9-179.4-68.4-66.1000112.3L632 R662 I663 F668 W669 H670 L755L632-F666 HydrophobicContact CD2-CB 3.77Å; R662-F666 HydrophobicContact CG-CE2 4.41Å; R662-F666 WeakPolarHBondContact O-CD2 3.34Å; I663-F666 PolarHBondContact O-N 2.97Å; F666-F668 VanDerWaalsContact C-N 3.33Å; F666-F668 PolarHBondContact O-N 2.85Å; F666-W669 PolarHBondContact O-N 2.71Å; F666-H670 WeakPolarHBondContact O-CB 3.27Å; F666-H670 PolarHBondContact O-CD2 3.47Å; F666-H670 PolarHBondContact O-N 3.28Å; F666-L755 WeakPolarHBondContact CZ-O 3.44Å
667F98.9Very high98Very high1 Ų116.4 Ų16.40%0.0048%0.078CC..Hα-helixtrans-57.4-46.8171.3177.2-101.6000111.2L632 V636 L653 L654 A657 I663 G664 L671 L687 Y691L632-F667 HydrophobicContact CD2-CB 4.35Å; V636-F667 HydrophobicContact CG2-CD2 4.16Å; L653-F667 HydrophobicContact CB-CE2 3.91Å; L654-F667 HydrophobicContact CD1-CE1 4.36Å; A657-F667 HydrophobicContact CB-CB 4.04Å; A657-F667 HydrophobicContact CB-CD1 3.71Å; A657-F667 HydrophobicContact CB-CE1 4.19Å; A657-F667 HydrophobicContact CB-CG 3.85Å; I663-F667 VanDerWaalsContact O-CB 3.25Å; I663-F667 WeakPolarHBondContact O-CB 3.48Å; I663-F667 PolarHBondContact O-N 3.3Å; G664-F667 PolarHBondContact O-N 2.79Å; F667-L671 HydrophobicContact CD1-CD1 3.88Å; F667-L671 HydrophobicContact CD2-CD1 4.26Å; F667-L671 HydrophobicContact CE1-CD1 3.47Å; F667-L671 VanDerWaalsContact CE1-CD1 3.47Å; F667-L671 HydrophobicContact CE2-CD1 3.88Å; F667-L671 HydrophobicContact CG-CD1 4.28Å; F667-L671 HydrophobicContact CZ-CD1 3.51Å; F667-L671 VanDerWaalsContact O-CG 3.3Å; F667-L671 WeakPolarHBondContact O-CG 3.35Å; F667-L671 PolarHBondContact O-N 2.72Å; F667-L671 VanDerWaalsContact O-N 3.14Å; F667-L687 HydrophobicContact CE1-CG 4.18Å; F667-L687 HydrophobicContact CE2-CD2 4.06Å; F667-L687 HydrophobicContact CZ-CD1 4.06Å; F667-L687 HydrophobicContact CZ-CD2 3.54Å; F667-L687 HydrophobicContact CZ-CG 3.6Å; F667-Y691 HydrophobicContact CD1-CD2 4.18Å; F667-Y691 HydrophobicContact CD1-CG 4.28Å; F667-Y691 HydrophobicContact CE1-CD2 4.4Å; F667-Y691 HydrophobicContact CE1-CG 4.34Å
668F98.9Very high97.8Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-57.3-53.8173.4173.5-91.4000111.6A120 G664 H665 F666 H670 L671 K672 L688 Y691 L702 V706A120-F668 HydrophobicContact CB-CE2 4.01Å; A120-F668 HydrophobicContact CB-CZ 4.1Å; A120-F668 WeakPolarHBondContact O-CZ 3.48Å; G664-F668 WeakPolarHBondContact O-CB 3.15Å; G664-F668 PolarHBondContact O-N 2.73Å; H665-F668 PolarHBondContact O-N 3.02Å; F666-F668 VanDerWaalsContact C-N 3.33Å; F666-F668 PolarHBondContact O-N 2.85Å; F668-H670 PolarHBondContact O-N 2.85Å; F668-L671 PolarHBondContact O-N 3.42Å; F668-K672 HydrophobicContact CD1-CB 4.48Å; F668-K672 HydrophobicContact CE1-CB 4.2Å; F668-K672 HydrophobicContact CE1-CG 4.25Å; F668-K672 HydrophobicContact CZ-CB 4.37Å; F668-K672 HydrophobicContact CZ-CG 4.29Å; F668-K672 WeakPolarHBondContact O-CB 3.39Å; F668-K672 PolarHBondContact O-N 3.06Å; F668-L688 HydrophobicContact CD2-CD2 3.56Å; F668-L688 HydrophobicContact CE2-CD2 4.07Å; F668-L688 HydrophobicContact CG-CD2 4.27Å; F668-Y691 HydrophobicContact CB-CD1 4.32Å; F668-Y691 HydrophobicContact CB-CE1 3.82Å; F668-Y691 HydrophobicContact CD2-CD1 4.23Å; F668-Y691 HydrophobicContact CD2-CE1 4.16Å; F668-Y691 HydrophobicContact CG-CE1 4.38Å; F668-L702 HydrophobicContact CB-CD1 4.2Å; F668-L702 HydrophobicContact CB-CD2 4.46Å; F668-L702 HydrophobicContact CD1-CD1 4.2Å; F668-L702 HydrophobicContact CD1-CD2 3.64Å; F668-L702 HydrophobicContact CD1-CG 4.38Å; F668-L702 HydrophobicContact CD2-CD1 3.85Å; F668-L702 HydrophobicContact CE1-CB 4.37Å; F668-L702 HydrophobicContact CE1-CD2 4.03Å; F668-L702 HydrophobicContact CE2-CD1 4.27Å; F668-L702 HydrophobicContact CG-CD1 3.81Å; F668-L702 HydrophobicContact CG-CD2 4.04Å; F668-L702 HydrophobicContact CG-CG 4.47Å; F668-L702 HydrophobicContact CZ-CB 4.37Å; F668-V706 HydrophobicContact CE1-CG2 4.05Å; F668-V706 HydrophobicContact CZ-CG2 3.93Å
669W98.9Very high97.6Very high4 Ų422.3 Ų22.32%0.01511%0.108CC..Hα-helixtrans-66.3-37-175.5-80.8110.9000113.5H665 F666 K672 S673 Q705 V706 M709 P754 L839 I841H665-W669 AromaticContact CE1-CD1 3.43Å; H665-W669 VanDerWaalsContact CE1-CD1 3.43Å; H665-W669 AromaticContact CE1-NE1 3.38Å; H665-W669 PolarHBondContact CE1-NE1 3.48Å; H665-W669 AromaticContact ND1-CD1 3.88Å; H665-W669 AromaticContact ND1-NE1 3.95Å; H665-W669 AromaticContact NE2-CD1 3.6Å; H665-W669 AromaticContact NE2-NE1 3.94Å; H665-W669 VanDerWaalsContact O-CD1 3.32Å; H665-W669 PolarHBondContact O-N 3.34Å; H665-W669 VanDerWaalsContact O-N 3.15Å; F666-W669 PolarHBondContact O-N 2.71Å; W669-K672 HydrophobicContact CE3-CG 4.38Å; W669-K672 HydrophobicContact CZ3-CG 4.32Å; W669-K672 PolarHBondContact O-N 2.91Å; W669-S673 VanDerWaalsContact O-CB 3.24Å; W669-S673 WeakPolarHBondContact O-CB 3.43Å; W669-S673 PolarHBondContact O-N 3Å; W669-S673 PolarHBondContact O-OG 3.24Å; W669-Q705 HydrophobicContact CZ2-CB 3.75Å; W669-V706 HydrophobicContact CH2-CG2 3.96Å; W669-V706 HydrophobicContact CZ2-CG2 4.39Å; W669-M709 HydrophobicContact CH2-CG 3.92Å; W669-P754 HydrophobicContact CZ2-CB 4.19Å; W669-P754 HydrophobicContact CZ2-CG 4.19Å; W669-L839 HydrophobicContact CB-CD1 4.15Å; W669-L839 HydrophobicContact CB-CD2 4.12Å; W669-L839 HydrophobicContact CD2-CD2 4.41Å; W669-L839 HydrophobicContact CG-CD2 4Å; W669-I841 HydrophobicContact CD2-CG2 4.41Å; W669-I841 HydrophobicContact CE3-CB 3.82Å; W669-I841 HydrophobicContact CE3-CG2 3.76Å; W669-I841 HydrophobicContact CZ3-CB 3.63Å; W669-I841 HydrophobicContact CZ3-CG2 3.85Å
670H98.8Very high97.5Very high16 Ų1620.7 Ų20.77%0.07410%0.098CC..Hα-helixtrans-64.7-46.1176.2-65.1-27.6000111.6V636 F666 F668 S673V636-H670 HydrophobicContact CB-CB 4.49Å; V636-H670 HydrophobicContact CG1-CB 4.2Å; V636-H670 HydrophobicContact CG2-CB 4.3Å; F666-H670 WeakPolarHBondContact O-CB 3.27Å; F666-H670 PolarHBondContact O-CD2 3.47Å; F666-H670 PolarHBondContact O-N 3.28Å; F668-H670 PolarHBondContact O-N 2.85Å; H670-S673 PolarHBondContact O-OG 3.07Å
671L98.8Very high97.4Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-65-46.5174.7-66.1174.4000112V636 F667 F668 S673 E674 F684 L687 L688V636-L671 HydrophobicContact CG1-CD2 3.77Å; V636-L671 HydrophobicContact CG1-CG 4.39Å; F667-L671 HydrophobicContact CD1-CD1 3.88Å; F667-L671 HydrophobicContact CD2-CD1 4.26Å; F667-L671 HydrophobicContact CE1-CD1 3.47Å; F667-L671 VanDerWaalsContact CE1-CD1 3.47Å; F667-L671 HydrophobicContact CE2-CD1 3.88Å; F667-L671 HydrophobicContact CG-CD1 4.28Å; F667-L671 HydrophobicContact CZ-CD1 3.51Å; F667-L671 VanDerWaalsContact O-CG 3.3Å; F667-L671 WeakPolarHBondContact O-CG 3.35Å; F667-L671 PolarHBondContact O-N 2.72Å; F667-L671 VanDerWaalsContact O-N 3.14Å; F668-L671 PolarHBondContact O-N 3.42Å; L671-S673 VanDerWaalsContact C-N 3.3Å; L671-S673 PolarHBondContact O-N 2.96Å; L671-E674 PolarHBondContact O-N 3.35Å; L671-F684 HydrophobicContact CB-CB 4.44Å; L671-F684 HydrophobicContact CB-CD2 4.46Å; L671-F684 HydrophobicContact CD2-CB 4.09Å; L671-F684 HydrophobicContact CD2-CD1 3.47Å; L671-F684 VanDerWaalsContact CD2-CD1 3.47Å; L671-F684 HydrophobicContact CD2-CD2 3.77Å; L671-F684 HydrophobicContact CD2-CE1 3.7Å; L671-F684 HydrophobicContact CD2-CE2 3.98Å; L671-F684 HydrophobicContact CD2-CG 3.51Å; L671-F684 HydrophobicContact CD2-CZ 3.95Å; L671-L687 HydrophobicContact CD1-CB 4.35Å; L671-L687 HydrophobicContact CD1-CD2 3.88Å; L671-L687 HydrophobicContact CD1-CG 3.98Å; L671-L687 HydrophobicContact CD2-CD2 4.19Å; L671-L688 HydrophobicContact CB-CD1 4.02Å; L671-L688 HydrophobicContact CB-CD2 3.82Å; L671-L688 HydrophobicContact CB-CG 3.81Å; L671-L688 HydrophobicContact CD1-CD2 4.02Å; L671-L688 HydrophobicContact CD1-CG 4.06Å
672K98.3Very high97.3Very high31 Ų3123.5 Ų23.514%0.13511%0.112CC..Hα-helixtrans-60.8-39.8-178.6176.755.6179.9147.30111.7A120 I121 F668 W669 E674 M675 L688A120-K672 WeakPolarHBondContact O-CD 3.33Å; A120-K672 WeakPolarHBondContact O-CE 3.21Å; I121-K672 WeakPolarHBondContact O-CD 3.44Å; I121-K672 WeakPolarHBondContact O-CE 3.12Å; I121-K672 PolarHBondContact O-NZ 3.29Å; F668-K672 HydrophobicContact CD1-CB 4.48Å; F668-K672 HydrophobicContact CE1-CB 4.2Å; F668-K672 HydrophobicContact CE1-CG 4.25Å; F668-K672 HydrophobicContact CZ-CB 4.37Å; F668-K672 HydrophobicContact CZ-CG 4.29Å; F668-K672 WeakPolarHBondContact O-CB 3.39Å; F668-K672 PolarHBondContact O-N 3.06Å; W669-K672 HydrophobicContact CE3-CG 4.38Å; W669-K672 HydrophobicContact CZ3-CG 4.32Å; W669-K672 PolarHBondContact O-N 2.91Å; K672-E674 PolarHBondContact O-N 3.41Å; K672-E674 VanDerWaalsContact O-N 3.15Å; K672-M675 HydrophobicContact CD-CG 4.3Å; K672-M675 WeakPolarHBondContact O-CB 3.3Å; K672-M675 PolarHBondContact O-N 3.13Å; K672-M675 VanDerWaalsContact O-N 3.16Å; K672-L688 HydrophobicContact CB-CD1 4.46Å
673S97.4Very high97.2Very high8 Ų823.2 Ų23.26%0.05611%0.111CC..Hα-helixtrans-59.6-27.5-179.374.20000112.8W669 H670 L671 H676 S840 G842W669-S673 VanDerWaalsContact O-CB 3.24Å; W669-S673 WeakPolarHBondContact O-CB 3.43Å; W669-S673 PolarHBondContact O-N 3Å; W669-S673 PolarHBondContact O-OG 3.24Å; H670-S673 PolarHBondContact O-OG 3.07Å; L671-S673 VanDerWaalsContact C-N 3.3Å; L671-S673 PolarHBondContact O-N 2.96Å; S673-H676 PolarHBondContact O-CE1 2.77Å; S673-H676 PolarHBondContact O-ND1 2.68Å; S673-S840 WeakPolarHBondContact CB-O 3.31Å; S673-G842 CarbonylContact O-C 3.53Å; S673-G842 WeakPolarHBondContact O-CA 3.46Å
674E97.1Very high97.2Very high2 Ų223.1 Ų23.11%0.00911%0.111CC..THydrogen-bonded Turntrans-100.34.8-178.6-68-150.7-122.300115.1Q637 K640 L671 K672 H676 N677 V680 F684Q637-E674 PolarHBondContact NE2-OE1 3.22Å; Q637-E674 PolarHBondContact OE1-OE1 3.35Å; K640-E674 WeakPolarHBondContact CE-OE1 3.19Å; K640-E674 WeakPolarHBondContact CE-OE2 3.44Å; K640-E674 IonicContact NZ-OE1 3.75Å; K640-E674 PolarHBondContact NZ-OE1 3.46Å; K640-E674 IonicContact NZ-OE2 3.91Å; K640-E674 PolarHBondContact NZ-OE2 2.95Å; L671-E674 PolarHBondContact O-N 3.35Å; K672-E674 PolarHBondContact O-N 3.41Å; K672-E674 VanDerWaalsContact O-N 3.15Å; E674-H676 PolarHBondContact O-N 3.23Å; E674-H676 VanDerWaalsContact O-N 3.09Å; E674-N677 WeakPolarHBondContact O-CB 3.14Å; E674-N677 PolarHBondContact O-N 3.21Å; E674-V680 HydrophobicContact CB-CG2 4.11Å; E674-F684 HydrophobicContact CB-CD2 3.94Å; E674-F684 HydrophobicContact CB-CE2 3.9Å; E674-F684 HydrophobicContact CG-CE2 4.48Å
675M96.4Very high97.2Very high10 Ų1023.1 Ų23.15%0.04911%0.111CC..THydrogen-bonded Turntrans-62.4-19.3178.7-74.3-61.3-60.700114I121 M123 K672 N677 S681 F684 G685 L688I121-M675 HydrophobicContact CG2-CE 3.76Å; M123-M675 HydrophobicContact CE-CE 4.1Å; K672-M675 HydrophobicContact CD-CG 4.3Å; K672-M675 WeakPolarHBondContact O-CB 3.3Å; K672-M675 PolarHBondContact O-N 3.13Å; K672-M675 VanDerWaalsContact O-N 3.16Å; M675-N677 VanDerWaalsContact C-N 3.3Å; M675-S681 WeakPolarHBondContact CE-O 3.32Å; M675-F684 HydrophobicContact SD-CB 3.92Å; M675-G685 PolarHBondContact SD-N 3.44Å; M675-L688 HydrophobicContact CG-CD1 3.9Å; M675-L688 HydrophobicContact SD-CD1 3.88Å
676H93.4Very high97.2Very high69 Ų6923.1 Ų23.132%0.31911%0.111SC..THydrogen-bonded Turntrans-68.5-29.617269-86.7000112.1S673 E674 K678 D843S673-H676 PolarHBondContact O-CE1 2.77Å; S673-H676 PolarHBondContact O-ND1 2.68Å; E674-H676 PolarHBondContact O-N 3.23Å; E674-H676 VanDerWaalsContact O-N 3.09Å; H676-K678 PolarHBondContact O-N 3.44Å; H676-D843 HydrophobicContact CB-CB 4.16Å; H676-D843 IonicContact CD2-OD2 3.56Å; H676-D843 IonicContact NE2-OD1 3.93Å
677N94Very high97.2Very high41 Ų4121 Ų2122%0.21910%0.102CC..  trans-79.8114.7-177-175-1.4000111.3E674 M675 T679 V680 S681E674-N677 WeakPolarHBondContact O-CB 3.14Å; E674-N677 PolarHBondContact O-N 3.21Å; M675-N677 VanDerWaalsContact C-N 3.3Å; N677-T679 VanDerWaalsContact CG-OG1 3.29Å; N677-T679 PolarHBondContact ND2-OG1 3.31Å; N677-T679 PolarHBondContact O-N 3.48Å; N677-T679 PolarHBondContact OD1-N 2.8Å; N677-T679 PolarHBondContact OD1-OG1 3.33Å; N677-V680 HydrophobicContact CB-CG2 4.04Å; N677-V680 PolarHBondContact O-N 3.17Å; N677-S681 WeakPolarHBondContact O-CB 3.29Å; N677-S681 PolarHBondContact O-N 2.61Å
678K94Very high97.2Very high76 Ų7621 Ų2133%0.3310%0.102SC..THydrogen-bonded Turntrans-65.5-23.7-175.2-61.5-53.4-179.8-168.10114.5P3 W446 P466 H676 V680 S681P3-K678 VanDerWaalsContact CG-NZ 3.28Å; W446-K678 HydrophobicContact CH2-CB 4.41Å; W446-K678 HydrophobicContact CZ3-CB 4.1Å; P466-K678 HydrophobicContact CG-CB 4.25Å; H676-K678 PolarHBondContact O-N 3.44Å; K678-V680 PolarHBondContact O-N 3.14Å; K678-S681 PolarHBondContact O-OG 2.6Å
679T94.5Very high97.2Very high47 Ų4721 Ų2129%0.28810%0.102SC..THydrogen-bonded Turntrans-65.6-25.6177.762.90000112.6W446 V461 N677W446-T679 HydrophobicContact CE3-CG2 4.01Å; W446-T679 HydrophobicContact CH2-CG2 3.97Å; W446-T679 HydrophobicContact CZ3-CG2 3.7Å; V461-T679 HydrophobicContact CG1-CG2 3.98Å; N677-T679 VanDerWaalsContact CG-OG1 3.29Å; N677-T679 PolarHBondContact ND2-OG1 3.31Å; N677-T679 PolarHBondContact O-N 3.48Å; N677-T679 PolarHBondContact OD1-N 2.8Å; N677-T679 PolarHBondContact OD1-OG1 3.33Å
680V96.6Very high97.2Very high4 Ų421 Ų212%0.02410%0.102CC..THydrogen-bonded Turntrans-123.3-13.8-175.1-61.90000114.3K640 E674 N677 K678 Q682 R683 F684K640-V680 HydrophobicContact CD-CG1 3.77Å; K640-V680 HydrophobicContact CG-CG1 3.65Å; E674-V680 HydrophobicContact CB-CG2 4.11Å; N677-V680 HydrophobicContact CB-CG2 4.04Å; N677-V680 PolarHBondContact O-N 3.17Å; K678-V680 PolarHBondContact O-N 3.14Å; V680-Q682 VanDerWaalsContact C-N 3.25Å; V680-Q682 PolarHBondContact O-N 3.4Å; V680-Q682 VanDerWaalsContact O-N 3.07Å; V680-R683 PolarHBondContact O-N 2.94Å; V680-F684 HydrophobicContact CB-CD1 4.34Å; V680-F684 HydrophobicContact CB-CD2 3.98Å; V680-F684 HydrophobicContact CB-CE1 4.44Å; V680-F684 HydrophobicContact CB-CE2 4.08Å; V680-F684 HydrophobicContact CB-CG 4.12Å; V680-F684 HydrophobicContact CB-CZ 4.32Å; V680-F684 HydrophobicContact CG1-CZ 4.46Å; V680-F684 HydrophobicContact CG2-CD2 3.75Å; V680-F684 HydrophobicContact CG2-CE2 3.9Å; V680-F684 HydrophobicContact CG2-CG 4.32Å; V680-F684 PolarHBondContact O-N 2.85Å
681S95.8Very high97.2Very high11 Ų1120.2 Ų20.28%0.07710%0.098CC..Hα-helixtrans-49.8-38.6-173.560.70000114.8M675 N677 K678 G685M675-S681 WeakPolarHBondContact CE-O 3.32Å; N677-S681 WeakPolarHBondContact O-CB 3.29Å; N677-S681 PolarHBondContact O-N 2.61Å; K678-S681 PolarHBondContact O-OG 2.6Å; S681-G685 WeakPolarHBondContact O-CA 3.36Å; S681-G685 PolarHBondContact O-N 2.85Å
682Q96.4Very high97.2Very high79 Ų7920.3 Ų20.337%0.36910%0.099SC..Hα-helixtrans-69.9-52.8176.3-174.7-176.471.500111.5V136 V680 F684 G685 L686V136-Q682 HydrophobicContact CG2-CG 4.44Å; V680-Q682 VanDerWaalsContact C-N 3.25Å; V680-Q682 PolarHBondContact O-N 3.4Å; V680-Q682 VanDerWaalsContact O-N 3.07Å; Q682-F684 PolarHBondContact O-N 3.07Å; Q682-G685 PolarHBondContact O-N 3.47Å; Q682-L686 HydrophobicContact CG-CD1 3.87Å; Q682-L686 WeakPolarHBondContact O-CB 3.49Å; Q682-L686 WeakPolarHBondContact O-CD1 3.39Å; Q682-L686 WeakPolarHBondContact O-CG 3.38Å; Q682-L686 PolarHBondContact O-N 3.35Å
683R98.4Very high97.1Very high37 Ų3719.7 Ų19.714%0.1410%0.096CC..Hα-helixtrans-57.8-50.8179.9178.6-176.9-68.7-91.82.2111.6L639 E642 Y644 L645 V680 L686 L687L639-R683 WeakPolarHBondContact O-CD 3.44Å; E642-R683 PolarHBondContact O-NH2 3.4Å; Y644-R683 PolarHBondContact O-NH1 2.98Å; Y644-R683 PolarHBondContact O-NH2 2.98Å; L645-R683 HydrophobicContact CD2-CB 3.76Å; L645-R683 HydrophobicContact CD2-CG 3.88Å; V680-R683 PolarHBondContact O-N 2.94Å; R683-L686 PolarHBondContact O-N 2.7Å; R683-L687 WeakPolarHBondContact O-CB 3.22Å; R683-L687 PolarHBondContact O-N 2.98Å; R683-L687 VanDerWaalsContact O-N 3.1Å
684F98.7Very high97.1Very high0 Ų019.4 Ų19.40%09%0.094CC..Hα-helixtrans-70.5-35.4-178.8-72.83.9000111.6V636 L639 K640 L671 E674 M675 V680 Q682 L687 L688V636-F684 HydrophobicContact CG1-CE2 4.4Å; V636-F684 HydrophobicContact CG1-CZ 4.07Å; L639-F684 HydrophobicContact CB-CE1 4.27Å; K640-F684 HydrophobicContact CG-CZ 4.15Å; L671-F684 HydrophobicContact CB-CB 4.44Å; L671-F684 HydrophobicContact CB-CD2 4.46Å; L671-F684 HydrophobicContact CD2-CB 4.09Å; L671-F684 HydrophobicContact CD2-CD1 3.47Å; L671-F684 VanDerWaalsContact CD2-CD1 3.47Å; L671-F684 HydrophobicContact CD2-CD2 3.77Å; L671-F684 HydrophobicContact CD2-CE1 3.7Å; L671-F684 HydrophobicContact CD2-CE2 3.98Å; L671-F684 HydrophobicContact CD2-CG 3.51Å; L671-F684 HydrophobicContact CD2-CZ 3.95Å; E674-F684 HydrophobicContact CB-CD2 3.94Å; E674-F684 HydrophobicContact CB-CE2 3.9Å; E674-F684 HydrophobicContact CG-CE2 4.48Å; M675-F684 HydrophobicContact SD-CB 3.92Å; V680-F684 HydrophobicContact CB-CD1 4.34Å; V680-F684 HydrophobicContact CB-CD2 3.98Å; V680-F684 HydrophobicContact CB-CE1 4.44Å; V680-F684 HydrophobicContact CB-CE2 4.08Å; V680-F684 HydrophobicContact CB-CG 4.12Å; V680-F684 HydrophobicContact CB-CZ 4.32Å; V680-F684 HydrophobicContact CG1-CZ 4.46Å; V680-F684 HydrophobicContact CG2-CD2 3.75Å; V680-F684 HydrophobicContact CG2-CE2 3.9Å; V680-F684 HydrophobicContact CG2-CG 4.32Å; V680-F684 PolarHBondContact O-N 2.85Å; Q682-F684 PolarHBondContact O-N 3.07Å; F684-L687 PolarHBondContact O-N 2.68Å; F684-L688 WeakPolarHBondContact O-CB 3.14Å; F684-L688 VanDerWaalsContact O-CG 3.25Å; F684-L688 WeakPolarHBondContact O-CG 3.42Å; F684-L688 PolarHBondContact O-N 3.37Å
685G98.4Very high97.2Very high0 Ų019.3 Ų19.30%09%0.094CC..Hα-helixtrans-62.5-43.517400000113.1M675 S681 Q682 L688 E689M675-G685 PolarHBondContact SD-N 3.44Å; S681-G685 WeakPolarHBondContact O-CA 3.36Å; S681-G685 PolarHBondContact O-N 2.85Å; Q682-G685 PolarHBondContact O-N 3.47Å; G685-L688 PolarHBondContact O-N 3.21Å; G685-E689 PolarHBondContact O-N 3.39Å
686L98.7Very high97.1Very high1 Ų119.9 Ų19.91%0.00510%0.102CC..Hα-helixtrans-66.6-37.7176.7-67.1163.6000112.2F128 V136 F139 R140 L645 Q682 R683 E689 S690F128-L686 HydrophobicContact CB-CD2 4.22Å; F128-L686 HydrophobicContact CD1-CD2 3.55Å; F128-L686 HydrophobicContact CD1-CG 4Å; F128-L686 HydrophobicContact CD2-CD2 4.27Å; F128-L686 HydrophobicContact CE1-CD2 3.95Å; F128-L686 HydrophobicContact CE1-CG 3.9Å; F128-L686 HydrophobicContact CG-CD2 3.75Å; F128-L686 HydrophobicContact CZ-CD2 4.47Å; F128-L686 HydrophobicContact CZ-CG 4.4Å; V136-L686 HydrophobicContact CB-CD1 4.46Å; V136-L686 HydrophobicContact CG1-CD1 3.9Å; V136-L686 HydrophobicContact CG1-CD2 3.89Å; V136-L686 HydrophobicContact CG2-CD1 4.19Å; F139-L686 HydrophobicContact CD1-CB 3.83Å; F139-L686 HydrophobicContact CD1-CD1 4.35Å; F139-L686 HydrophobicContact CE1-CB 3.59Å; R140-L686 HydrophobicContact CG-CD2 3.51Å; L645-L686 HydrophobicContact CD1-CD1 3.82Å; L645-L686 HydrophobicContact CD2-CD1 4.33Å; Q682-L686 HydrophobicContact CG-CD1 3.87Å; Q682-L686 WeakPolarHBondContact O-CB 3.49Å; Q682-L686 WeakPolarHBondContact O-CD1 3.39Å; Q682-L686 WeakPolarHBondContact O-CG 3.38Å; Q682-L686 PolarHBondContact O-N 3.35Å; R683-L686 PolarHBondContact O-N 2.7Å; L686-E689 WeakPolarHBondContact O-CB 3.3Å; L686-E689 PolarHBondContact O-N 3.41Å; L686-S690 PolarHBondContact O-N 2.94Å
687L98.8Very high97.2Very high4 Ų419.7 Ų19.72%0.02110%0.102CC..Hα-helixtrans-72.1-35.5176.6-171.158.6000112.3F139 L639 L654 F667 L671 R683 F684 S690 Y691F139-L687 HydrophobicContact CZ-CD1 4.4Å; L639-L687 HydrophobicContact CD1-CD2 3.84Å; L654-L687 HydrophobicContact CB-CD1 4.17Å; L654-L687 HydrophobicContact CD1-CD1 4.37Å; L654-L687 HydrophobicContact CD2-CD1 4.35Å; F667-L687 HydrophobicContact CE1-CG 4.18Å; F667-L687 HydrophobicContact CE2-CD2 4.06Å; F667-L687 HydrophobicContact CZ-CD1 4.06Å; F667-L687 HydrophobicContact CZ-CD2 3.54Å; F667-L687 HydrophobicContact CZ-CG 3.6Å; L671-L687 HydrophobicContact CD1-CB 4.35Å; L671-L687 HydrophobicContact CD1-CD2 3.88Å; L671-L687 HydrophobicContact CD1-CG 3.98Å; L671-L687 HydrophobicContact CD2-CD2 4.19Å; R683-L687 WeakPolarHBondContact O-CB 3.22Å; R683-L687 PolarHBondContact O-N 2.98Å; R683-L687 VanDerWaalsContact O-N 3.1Å; F684-L687 PolarHBondContact O-N 2.68Å; L687-S690 PolarHBondContact O-OG 2.92Å; L687-Y691 WeakPolarHBondContact O-CB 3.37Å; L687-Y691 PolarHBondContact O-N 2.88Å
688L98.9Very high97.3Very high0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-68.3-36.6171.3-75.5168.3000111.7I121 F668 L671 K672 M675 F684 G685 Y691 C692I121-L688 HydrophobicContact CD1-CB 3.9Å; I121-L688 HydrophobicContact CG1-CB 3.75Å; I121-L688 HydrophobicContact CG1-CD1 4.48Å; I121-L688 HydrophobicContact CG2-CD1 4.38Å; F668-L688 HydrophobicContact CD2-CD2 3.56Å; F668-L688 HydrophobicContact CE2-CD2 4.07Å; F668-L688 HydrophobicContact CG-CD2 4.27Å; L671-L688 HydrophobicContact CB-CD1 4.02Å; L671-L688 HydrophobicContact CB-CD2 3.82Å; L671-L688 HydrophobicContact CB-CG 3.81Å; L671-L688 HydrophobicContact CD1-CD2 4.02Å; L671-L688 HydrophobicContact CD1-CG 4.06Å; K672-L688 HydrophobicContact CB-CD1 4.46Å; M675-L688 HydrophobicContact CG-CD1 3.9Å; M675-L688 HydrophobicContact SD-CD1 3.88Å; F684-L688 WeakPolarHBondContact O-CB 3.14Å; F684-L688 VanDerWaalsContact O-CG 3.25Å; F684-L688 WeakPolarHBondContact O-CG 3.42Å; F684-L688 PolarHBondContact O-N 3.37Å; G685-L688 PolarHBondContact O-N 3.21Å; L688-Y691 PolarHBondContact O-N 2.82Å; L688-C692 VanDerWaalsContact O-CB 3.26Å; L688-C692 WeakPolarHBondContact O-CB 3.37Å; L688-C692 PolarHBondContact O-N 3.28Å; L688-C692 PolarHBondContact O-SG 3.19Å
689E98.6Very high97.5Very high2 Ų214.7 Ų14.71%0.0098%0.078CC..Hα-helixtrans-57-51.9173.6175.1-176.2-157.600110I121 I125 R140 G685 L686 Y691 C692 R693I121-E689 HydrophobicContact CD1-CB 4.1Å; I125-E689 HydrophobicContact CD1-CB 4.22Å; I125-E689 HydrophobicContact CD1-CG 3.92Å; I125-E689 WeakPolarHBondContact CG2-OE1 3.48Å; R140-E689 IonicContact CZ-OE1 2.68Å; R140-E689 IonicContact CZ-OE2 4Å; R140-E689 IonicContact NE-OE1 3.59Å; R140-E689 IonicContact NE-OE2 3.24Å; R140-E689 PolarHBondContact NE-OE2 3.28Å; R140-E689 IonicContact NH2-OE1 3.91Å; R140-E689 PolarHBondContact NH2-OE1 3.38Å; R140-E689 IonicContact NH2-OE2 3.84Å; G685-E689 PolarHBondContact O-N 3.39Å; L686-E689 WeakPolarHBondContact O-CB 3.3Å; L686-E689 PolarHBondContact O-N 3.41Å; E689-Y691 PolarHBondContact O-N 2.86Å; E689-C692 PolarHBondContact O-N 3.24Å; E689-R693 WeakPolarHBondContact O-CB 3.47Å; E689-R693 VanDerWaalsContact O-CG 3.25Å; E689-R693 WeakPolarHBondContact O-CG 3.5Å; E689-R693 PolarHBondContact O-N 3.28Å; E689-R693 IonicContact OE1-CZ 3.17Å; E689-R693 IonicContact OE1-NE 2.63Å; E689-R693 PolarHBondContact OE1-NE 3.08Å; E689-R693 VanDerWaalsContact OE1-NE 3.17Å; E689-R693 IonicContact OE1-NH2 2.81Å; E689-R693 PolarHBondContact OE1-NH2 3.07Å
690S98.6Very high97.6Very high2 Ų217.4 Ų17.41%0.0149%0.086CC..Hα-helixtrans-64.6-39.8-17963.30000112.7C147 L654 L686 L687 A694C147-S690 PolarHBondContact SG-O 3.3Å; C147-S690 VanDerWaalsContact SG-O 3.39Å; L654-S690 WeakPolarHBondContact CD2-OG 3.3Å; L686-S690 PolarHBondContact O-N 2.94Å; L687-S690 PolarHBondContact O-OG 2.92Å; S690-A694 PolarHBondContact O-N 3.22Å
691Y98.8Very high97.6Very high0 Ų021.4 Ų21.40%010%0.104CC..Hα-helixtrans-62.6-51.5173.8173.7-101.9000112.1L654 A657 L658 G664 F667 F668 L687 L688 E689 R693 A694 C695 L702L654-Y691 HydrophobicContact CD1-CD2 4.45Å; A657-Y691 HydrophobicContact CB-CD2 4.03Å; A657-Y691 HydrophobicContact CB-CE2 4.03Å; L658-Y691 HydrophobicContact CD2-CD2 3.71Å; L658-Y691 HydrophobicContact CD2-CE2 4.07Å; L658-Y691 HydrophobicContact CG-CD2 4.23Å; G664-Y691 WeakPolarHBondContact CA-OH 3.18Å; G664-Y691 PolarHBondContact O-OH 3.14Å; G664-Y691 VanDerWaalsContact O-OH 3.11Å; F667-Y691 HydrophobicContact CD1-CD2 4.18Å; F667-Y691 HydrophobicContact CD1-CG 4.28Å; F667-Y691 HydrophobicContact CE1-CD2 4.4Å; F667-Y691 HydrophobicContact CE1-CG 4.34Å; F668-Y691 HydrophobicContact CB-CD1 4.32Å; F668-Y691 HydrophobicContact CB-CE1 3.82Å; F668-Y691 HydrophobicContact CD2-CD1 4.23Å; F668-Y691 HydrophobicContact CD2-CE1 4.16Å; F668-Y691 HydrophobicContact CG-CE1 4.38Å; L687-Y691 WeakPolarHBondContact O-CB 3.37Å; L687-Y691 PolarHBondContact O-N 2.88Å; L688-Y691 PolarHBondContact O-N 2.82Å; E689-Y691 PolarHBondContact O-N 2.86Å; Y691-R693 VanDerWaalsContact C-N 3.27Å; Y691-R693 PolarHBondContact O-N 3.24Å; Y691-A694 CarbonylContact O-C 3.55Å; Y691-A694 PolarHBondContact O-N 3.4Å; Y691-C695 HydrophobicContact CD1-CB 4.4Å; Y691-C695 HydrophobicContact CD2-CB 4.3Å; Y691-C695 HydrophobicContact CE1-CB 3.96Å; Y691-C695 HydrophobicContact CE2-CB 3.83Å; Y691-C695 WeakPolarHBondContact O-CB 3.41Å; Y691-C695 PolarHBondContact O-N 3.38Å; Y691-L702 HydrophobicContact CE1-CD1 3.74Å
692C98.6Very high97.7Very high2 Ų220.9 Ų20.91%0.01410%0.101CC..Hα-helixtrans-65.3-30.7-176.9-66.50000112.5I117 L688 E689 A694 L699I117-C692 HydrophobicContact CB-CB 4.24Å; I117-C692 HydrophobicContact CG1-CB 3.82Å; I117-C692 HydrophobicContact CG2-CB 3.76Å; L688-C692 VanDerWaalsContact O-CB 3.26Å; L688-C692 WeakPolarHBondContact O-CB 3.37Å; L688-C692 PolarHBondContact O-N 3.28Å; L688-C692 PolarHBondContact O-SG 3.19Å; E689-C692 PolarHBondContact O-N 3.24Å; C692-A694 VanDerWaalsContact C-N 3.26Å; C692-A694 PolarHBondContact O-N 2.95Å; C692-L699 HydrophobicContact CB-CD1 3.82Å
693R97.4Very high97.7Very high19 Ų1917.9 Ų17.97%0.0729%0.088CC..Hα-helixtrans-65.1-28.3172.6-76.2-178.8-173.5-60.3-5.2113.3N114 I117 F302 Y307 E689 Y691N114-R693 VanDerWaalsContact OD1-CZ 3.31Å; N114-R693 PolarHBondContact OD1-NH1 2.88Å; N114-R693 PolarHBondContact OD1-NH2 3.11Å; I117-R693 HydrophobicContact CD1-CB 4.43Å; I117-R693 HydrophobicContact CD1-CG 3.41Å; I117-R693 VanDerWaalsContact CD1-CG 3.41Å; F302-R693 WeakPolarHBondContact CD2-O 3.3Å; F302-R693 HydrophobicContact CE2-CB 4.47Å; Y307-R693 WeakPolarHBondContact OH-CD 3.29Å; Y307-R693 PolarHBondContact OH-NE 2.87Å; E689-R693 WeakPolarHBondContact O-CB 3.47Å; E689-R693 VanDerWaalsContact O-CG 3.25Å; E689-R693 WeakPolarHBondContact O-CG 3.5Å; E689-R693 PolarHBondContact O-N 3.28Å; E689-R693 IonicContact OE1-CZ 3.17Å; E689-R693 IonicContact OE1-NE 2.63Å; E689-R693 PolarHBondContact OE1-NE 3.08Å; E689-R693 VanDerWaalsContact OE1-NE 3.17Å; E689-R693 IonicContact OE1-NH2 2.81Å; E689-R693 PolarHBondContact OE1-NH2 3.07Å; Y691-R693 VanDerWaalsContact C-N 3.27Å; Y691-R693 PolarHBondContact O-N 3.24Å
694A98Very high97.7Very high2 Ų220.5 Ų20.52%0.01710%0.098CC..Hα-helixtrans-117-9.5-169.200000114.5C147 V151 R154 F302 L658 S690 Y691 C692 G696C147-A694 HydrophobicContact CB-CB 3.72Å; V151-A694 HydrophobicContact CG2-CB 4.34Å; R154-A694 VanDerWaalsContact CZ-O 3.28Å; R154-A694 PolarHBondContact NH1-O 3.07Å; R154-A694 PolarHBondContact NH2-O 2.98Å; F302-A694 HydrophobicContact CD2-CB 4.16Å; F302-A694 HydrophobicContact CE2-CB 4.09Å; L658-A694 HydrophobicContact CD1-CB 3.67Å; L658-A694 HydrophobicContact CD2-CB 3.65Å; L658-A694 HydrophobicContact CG-CB 4.32Å; S690-A694 PolarHBondContact O-N 3.22Å; Y691-A694 CarbonylContact O-C 3.55Å; Y691-A694 PolarHBondContact O-N 3.4Å; C692-A694 VanDerWaalsContact C-N 3.26Å; C692-A694 PolarHBondContact O-N 2.95Å; A694-G696 PolarHBondContact O-N 3.08Å; A694-G696 VanDerWaalsContact O-N 3.16Å
695C97.3Very high97.7Very high0 Ų020.5 Ų20.50%010%0.098CC..SBendtrans-752.1-179.570.10000114.3Y165 L658 Y691 Y698Y165-C695 PolarHBondContact OH-O 3.3Å; L658-C695 HydrophobicContact CD2-CB 4.18Å; Y691-C695 HydrophobicContact CD1-CB 4.4Å; Y691-C695 HydrophobicContact CD2-CB 4.3Å; Y691-C695 HydrophobicContact CE1-CB 3.96Å; Y691-C695 HydrophobicContact CE2-CB 3.83Å; Y691-C695 WeakPolarHBondContact O-CB 3.41Å; Y691-C695 PolarHBondContact O-N 3.38Å; C695-Y698 WeakPolarHBondContact O-CB 3.44Å; C695-Y698 PolarHBondContact O-N 3.47Å
696G95.5Very high97.6Very high21 Ų2120.7 Ų20.722%0.21610%0.099CC..THydrogen-bonded Turntrans68.7-144.917500000112.5D300 A694 Y698 L699D300-G696 VanDerWaalsContact CG-CA 3.44Å; D300-G696 VanDerWaalsContact OD1-CA 3.28Å; D300-G696 WeakPolarHBondContact OD1-CA 3.39Å; A694-G696 PolarHBondContact O-N 3.08Å; A694-G696 VanDerWaalsContact O-N 3.16Å; G696-Y698 PolarHBondContact O-N 3.34Å; G696-Y698 VanDerWaalsContact O-N 3.08Å; G696-L699 PolarHBondContact O-N 3.18Å
697M94.6Very high97.5Very high66 Ų6623.4 Ų23.433%0.32511%0.112SC..THydrogen-bonded Turntrans-62.1-16.1178.8-73.4-57.698.700114.2P298 D300 L699 K700P298-M697 HydrophobicContact CB-CB 4.21Å; P298-M697 HydrophobicContact CB-CG 3.39Å; P298-M697 HydrophobicContact CG-CB 3.58Å; P298-M697 HydrophobicContact CG-CG 3.35Å; D300-M697 PolarHBondContact OD1-N 2.91Å; M697-L699 PolarHBondContact O-N 3.08Å; M697-L699 VanDerWaalsContact O-N 3.15Å; M697-K700 WeakPolarHBondContact O-CB 3.47Å; M697-K700 PolarHBondContact O-N 2.92Å; M697-K700 HydrophobicContact SD-CD 3.97Å
698Y97.4Very high97.4Very high7 Ų723.2 Ų23.23%0.02711%0.111CC..Hα-helixtrans-61.2-24.2177.2-158.9-119.3000113Q661 H665 C695 G696 K700 H701 L702 P757Q661-Y698 HydrophobicContact CG-CD1 3.77Å; Q661-Y698 HydrophobicContact CG-CD2 3.81Å; Q661-Y698 HydrophobicContact CG-CE1 4Å; Q661-Y698 HydrophobicContact CG-CE2 4.05Å; Q661-Y698 HydrophobicContact CG-CG 3.68Å; Q661-Y698 VanDerWaalsContact NE2-CD2 3.26Å; H665-Y698 HydrophobicContact CB-CE1 3.93Å; H665-Y698 AromaticContact ND1-CE1 3.99Å; H665-Y698 AromaticContact ND1-CZ 3.75Å; H665-Y698 PolarHBondContact ND1-OH 3.03Å; C695-Y698 WeakPolarHBondContact O-CB 3.44Å; C695-Y698 PolarHBondContact O-N 3.47Å; G696-Y698 PolarHBondContact O-N 3.34Å; G696-Y698 VanDerWaalsContact O-N 3.08Å; Y698-K700 PolarHBondContact O-N 3.21Å; Y698-H701 HydrophobicContact CD2-CB 3.84Å; Y698-H701 HydrophobicContact CE2-CB 3.89Å; Y698-H701 WeakPolarHBondContact O-CB 3.46Å; Y698-H701 PolarHBondContact O-N 3.12Å; Y698-H701 VanDerWaalsContact O-N 3.09Å; Y698-L702 HydrophobicContact CD1-CD1 3.76Å; Y698-L702 HydrophobicContact CD1-CD2 4.27Å; Y698-L702 HydrophobicContact CD1-CG 3.79Å; Y698-L702 HydrophobicContact CE1-CD1 3.99Å; Y698-L702 HydrophobicContact CE1-CD2 3.67Å; Y698-L702 HydrophobicContact CE1-CG 3.71Å; Y698-L702 WeakPolarHBondContact O-CG 3.34Å; Y698-L702 PolarHBondContact O-N 3.01Å; Y698-P757 WeakPolarHBondContact OH-CB 3.24Å
699L97.7Very high97.3Very high4 Ų423.6 Ų23.62%0.02111%0.113CC..Hα-helixtrans-54.5-37.8171.5179.158.1000112.4L113 E116 I117 A120 C692 G696 M697 L702 S703L113-L699 HydrophobicContact CD1-CD2 3.77Å; E116-L699 HydrophobicContact CB-CD2 3.95Å; E116-L699 HydrophobicContact CB-CG 4.47Å; I117-L699 HydrophobicContact CG1-CD2 3.88Å; A120-L699 HydrophobicContact CB-CD1 3.81Å; C692-L699 HydrophobicContact CB-CD1 3.82Å; G696-L699 PolarHBondContact O-N 3.18Å; M697-L699 PolarHBondContact O-N 3.08Å; M697-L699 VanDerWaalsContact O-N 3.15Å; L699-L702 PolarHBondContact O-N 3.36Å; L699-S703 WeakPolarHBondContact O-CB 3.41Å; L699-S703 PolarHBondContact O-N 3.07Å; L699-S703 PolarHBondContact O-OG 3.03Å
700K95.6Very high97.1Very high104 Ų10425 Ų2545%0.45212%0.119SC..Hα-helixtrans-69-40.7178.1-64.8-177.1177.61760111.4M697 Y698 S703 R704M697-K700 WeakPolarHBondContact O-CB 3.47Å; M697-K700 PolarHBondContact O-N 2.92Å; M697-K700 HydrophobicContact SD-CD 3.97Å; Y698-K700 PolarHBondContact O-N 3.21Å; K700-S703 PolarHBondContact O-N 3.02Å; K700-R704 WeakPolarHBondContact O-CG 3.41Å; K700-R704 PolarHBondContact O-N 3.16Å
701H96.8Very high96.8Very high89 Ų8925.5 Ų25.541%0.41212%0.121SC..Hα-helixtrans-63.3-44.6175-67.5-88.2000111.5Y698 R704 Q705Y698-H701 HydrophobicContact CD2-CB 3.84Å; Y698-H701 HydrophobicContact CE2-CB 3.89Å; Y698-H701 WeakPolarHBondContact O-CB 3.46Å; Y698-H701 PolarHBondContact O-N 3.12Å; Y698-H701 VanDerWaalsContact O-N 3.09Å; H701-R704 PolarHBondContact O-N 3.31Å; H701-Q705 WeakPolarHBondContact O-CG 3.48Å; H701-Q705 PolarHBondContact O-N 2.69Å
702L98.5Very high96.7Very high0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-62.6-42.5175.3-69.6173000111.8F668 Y691 Y698 L699 R704 Q705 V706F668-L702 HydrophobicContact CB-CD1 4.2Å; F668-L702 HydrophobicContact CB-CD2 4.46Å; F668-L702 HydrophobicContact CD1-CD1 4.2Å; F668-L702 HydrophobicContact CD1-CD2 3.64Å; F668-L702 HydrophobicContact CD1-CG 4.38Å; F668-L702 HydrophobicContact CD2-CD1 3.85Å; F668-L702 HydrophobicContact CE1-CB 4.37Å; F668-L702 HydrophobicContact CE1-CD2 4.03Å; F668-L702 HydrophobicContact CE2-CD1 4.27Å; F668-L702 HydrophobicContact CG-CD1 3.81Å; F668-L702 HydrophobicContact CG-CD2 4.04Å; F668-L702 HydrophobicContact CG-CG 4.47Å; F668-L702 HydrophobicContact CZ-CB 4.37Å; Y691-L702 HydrophobicContact CE1-CD1 3.74Å; Y698-L702 HydrophobicContact CD1-CD1 3.76Å; Y698-L702 HydrophobicContact CD1-CD2 4.27Å; Y698-L702 HydrophobicContact CD1-CG 3.79Å; Y698-L702 HydrophobicContact CE1-CD1 3.99Å; Y698-L702 HydrophobicContact CE1-CD2 3.67Å; Y698-L702 HydrophobicContact CE1-CG 3.71Å; Y698-L702 WeakPolarHBondContact O-CG 3.34Å; Y698-L702 PolarHBondContact O-N 3.01Å; L699-L702 PolarHBondContact O-N 3.36Å; L702-R704 VanDerWaalsContact C-N 3.34Å; L702-R704 PolarHBondContact O-N 3.29Å; L702-Q705 WeakPolarHBondContact O-CB 3.38Å; L702-Q705 PolarHBondContact O-N 2.98Å; L702-Q705 VanDerWaalsContact O-N 3.17Å; L702-V706 WeakPolarHBondContact O-CG2 3.44Å; L702-V706 PolarHBondContact O-N 3.03Å
703S97.1Very high96.5Very high16 Ų1627 Ų2711%0.11213%0.129CC..Hα-helixtrans-60.3-43177-61.80000111.6F119 L699 K700 Q705 V706 E707F119-S703 WeakPolarHBondContact CE1-O 3.27Å; L699-S703 WeakPolarHBondContact O-CB 3.41Å; L699-S703 PolarHBondContact O-N 3.07Å; L699-S703 PolarHBondContact O-OG 3.03Å; K700-S703 PolarHBondContact O-N 3.02Å; S703-Q705 VanDerWaalsContact C-N 3.35Å; S703-Q705 PolarHBondContact O-N 3.34Å; S703-V706 PolarHBondContact O-N 3.44Å; S703-E707 WeakPolarHBondContact O-CB 3.39Å; S703-E707 PolarHBondContact O-N 2.88Å
704R97.2Very high96.1Very high92 Ų9226.7 Ų26.735%0.34713%0.129SC..Hα-helixtrans-63.9-38.7175-69.1-170.770.5-156.4-7112.7K700 H701 L702 A708 Q749 S750 F751K700-R704 WeakPolarHBondContact O-CG 3.41Å; K700-R704 PolarHBondContact O-N 3.16Å; H701-R704 PolarHBondContact O-N 3.31Å; L702-R704 VanDerWaalsContact C-N 3.34Å; L702-R704 PolarHBondContact O-N 3.29Å; R704-A708 WeakPolarHBondContact O-CB 3.43Å; R704-A708 PolarHBondContact O-N 3.27Å; R704-Q749 PolarHBondContact NH2-O 3.39Å; R704-S750 PolarHBondContact NH1-O 2.82Å; R704-S750 PolarHBondContact NH2-O 3.29Å; R704-S750 VanDerWaalsContact NH2-O 3.08Å; R704-F751 HydrophobicContact CB-CB 4.42Å
705Q98.6Very high95.8Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-63.6-46.4173.4-65.2168.125.500111.3H665 W669 H701 L702 S703 E707 A708 M709 F751 T752 P754H665-Q705 PolarHBondContact CE1-OE1 2.85Å; W669-Q705 HydrophobicContact CZ2-CB 3.75Å; H701-Q705 WeakPolarHBondContact O-CG 3.48Å; H701-Q705 PolarHBondContact O-N 2.69Å; L702-Q705 WeakPolarHBondContact O-CB 3.38Å; L702-Q705 PolarHBondContact O-N 2.98Å; L702-Q705 VanDerWaalsContact O-N 3.17Å; S703-Q705 VanDerWaalsContact C-N 3.35Å; S703-Q705 PolarHBondContact O-N 3.34Å; Q705-E707 VanDerWaalsContact C-N 3.33Å; Q705-E707 PolarHBondContact O-N 3.12Å; Q705-A708 WeakPolarHBondContact O-CB 3.38Å; Q705-A708 PolarHBondContact O-N 3Å; Q705-M709 VanDerWaalsContact O-CG 3.27Å; Q705-M709 WeakPolarHBondContact O-CG 3.47Å; Q705-M709 PolarHBondContact O-N 2.65Å; Q705-F751 HydrophobicContact CG-CD2 4Å; Q705-T752 WeakPolarHBondContact CG-O 3.18Å; Q705-T752 PolarHBondContact NE2-OG1 3.4Å; Q705-P754 HydrophobicContact CB-CG 4.22Å; Q705-P754 HydrophobicContact CG-CG 4.22Å
706V98Very high95.6Very high4 Ų426.7 Ų26.72%0.02413%0.128CC..Hα-helixtrans-59.3-44.4178169.40000110.9F119 F668 W669 L702 S703 A708 M709 E710F119-V706 HydrophobicContact CD1-CG1 4.37Å; F119-V706 HydrophobicContact CE1-CB 4.16Å; F119-V706 HydrophobicContact CE1-CG1 3.92Å; F668-V706 HydrophobicContact CE1-CG2 4.05Å; F668-V706 HydrophobicContact CZ-CG2 3.93Å; W669-V706 HydrophobicContact CH2-CG2 3.96Å; W669-V706 HydrophobicContact CZ2-CG2 4.39Å; L702-V706 WeakPolarHBondContact O-CG2 3.44Å; L702-V706 PolarHBondContact O-N 3.03Å; S703-V706 PolarHBondContact O-N 3.44Å; V706-A708 PolarHBondContact O-N 3.45Å; V706-M709 PolarHBondContact O-N 3.43Å; V706-E710 HydrophobicContact CG1-CG 4.32Å; V706-E710 VanDerWaalsContact O-CG 3.23Å; V706-E710 WeakPolarHBondContact O-CG 3.29Å; V706-E710 PolarHBondContact O-N 2.88Å
707E95.6Very high95.3Very high58 Ų5827 Ų2727%0.27113%0.125SC..Hα-helixtrans-58.1-48175.6-173.9177.8-16300112.4F119 S703 Q705 M709 E710 K711 A747F119-E707 HydrophobicContact CE1-CB 4.27Å; F119-E707 HydrophobicContact CZ-CB 3.92Å; F119-E707 HydrophobicContact CZ-CG 4.41Å; S703-E707 WeakPolarHBondContact O-CB 3.39Å; S703-E707 PolarHBondContact O-N 2.88Å; Q705-E707 VanDerWaalsContact C-N 3.33Å; Q705-E707 PolarHBondContact O-N 3.12Å; E707-M709 VanDerWaalsContact C-N 3.3Å; E707-M709 PolarHBondContact O-N 3.01Å; E707-E710 PolarHBondContact O-N 2.97Å; E707-K711 PolarHBondContact O-N 3.48Å; E707-K711 VanDerWaalsContact O-N 3.08Å; E707-A747 HydrophobicContact CG-CB 4.06Å
708A97.3Very high95Very high0 Ų024.1 Ų24.10%011%0.111CC..Hα-helixtrans-57.4-44.617600000111.5R704 Q705 V706 K711 L712 A747 L748 F751R704-A708 WeakPolarHBondContact O-CB 3.43Å; R704-A708 PolarHBondContact O-N 3.27Å; Q705-A708 WeakPolarHBondContact O-CB 3.38Å; Q705-A708 PolarHBondContact O-N 3Å; V706-A708 PolarHBondContact O-N 3.45Å; A708-K711 PolarHBondContact O-N 2.85Å; A708-L712 WeakPolarHBondContact O-CG 3.19Å; A708-L712 PolarHBondContact O-N 3.27Å; A708-A747 WeakPolarHBondContact CB-O 3.35Å; A708-L748 HydrophobicContact CB-CD2 3.86Å; A708-L748 WeakPolarHBondContact O-CD2 3.44Å; A708-F751 HydrophobicContact CB-CD2 4.42Å; A708-F751 HydrophobicContact CB-CE1 4.3Å; A708-F751 HydrophobicContact CB-CE2 3.99Å; A708-F751 HydrophobicContact CB-CZ 3.93Å
709M97.4Very high94.6Very high8 Ų823.8 Ų23.84%0.03911%0.11CC..Hα-helixtrans-65.4-42.3179.9-64.6-54.196.600111.8W669 Q705 V706 E707 K711 L712 I713 F751 F801 I841 L847W669-M709 HydrophobicContact CH2-CG 3.92Å; Q705-M709 VanDerWaalsContact O-CG 3.27Å; Q705-M709 WeakPolarHBondContact O-CG 3.47Å; Q705-M709 PolarHBondContact O-N 2.65Å; V706-M709 PolarHBondContact O-N 3.43Å; E707-M709 VanDerWaalsContact C-N 3.3Å; E707-M709 PolarHBondContact O-N 3.01Å; M709-K711 VanDerWaalsContact C-N 3.35Å; M709-K711 PolarHBondContact O-N 3.49Å; M709-L712 HydrophobicContact CE-CD1 3.8Å; M709-L712 PolarHBondContact O-N 3.48Å; M709-L712 VanDerWaalsContact O-N 3.13Å; M709-L712 HydrophobicContact SD-CD1 4.48Å; M709-I713 VanDerWaalsContact O-CG1 3.28Å; M709-I713 WeakPolarHBondContact O-CG1 3.35Å; M709-I713 PolarHBondContact O-N 2.94Å; M709-F751 HydrophobicContact CE-CE2 4.43Å; M709-F801 HydrophobicContact SD-CD2 4.37Å; M709-F801 HydrophobicContact SD-CE2 4.34Å; M709-I841 HydrophobicContact CB-CD1 3.87Å; M709-I841 HydrophobicContact CG-CD1 3.64Å; M709-I841 HydrophobicContact SD-CD1 3.46Å; M709-I841 WeakPolarHBondContact SD-CD1 3.27Å; M709-L847 HydrophobicContact SD-CD1 4Å; M709-L847 HydrophobicContact SD-CD2 3.93Å; M709-L847 HydrophobicContact SD-CG 4.25Å
710E92.4Very high94.1Very high30 Ų3026.7 Ų26.714%0.1412%0.122CC..Hα-helixtrans-60.8-41.4176.8-68-84.616800112R4 S7 V706 E707 L712 I713 N714R4-E710 IonicContact NH1-OE1 3.77Å; R4-E710 PolarHBondContact NH1-OE1 3.22Å; R4-E710 IonicContact NH1-OE2 3.41Å; R4-E710 PolarHBondContact NH1-OE2 3.06Å; S7-E710 VanDerWaalsContact CB-OE2 3.24Å; S7-E710 WeakPolarHBondContact CB-OE2 3.43Å; V706-E710 HydrophobicContact CG1-CG 4.32Å; V706-E710 VanDerWaalsContact O-CG 3.23Å; V706-E710 WeakPolarHBondContact O-CG 3.29Å; V706-E710 PolarHBondContact O-N 2.88Å; E707-E710 PolarHBondContact O-N 2.97Å; E710-L712 VanDerWaalsContact C-N 3.31Å; E710-L712 PolarHBondContact O-N 3.23Å; E710-I713 PolarHBondContact O-N 3.36Å; E710-N714 WeakPolarHBondContact O-CB 3.38Å; E710-N714 PolarHBondContact O-N 2.99Å; E710-N714 PolarHBondContact O-ND2 3.01Å
711K93.9Very high93.6Very high13 Ų1326.5 Ų26.56%0.05712%0.123CC..Hα-helixtrans-61.2-38.5174.4-70.4-74.7-174.8-176.60111.9D91 E707 A708 M709 L715 D743 Y744 A747 L748D91-K711 IonicContact OD1-NZ 3.82Å; D91-K711 PolarHBondContact OD1-NZ 3.35Å; E707-K711 PolarHBondContact O-N 3.48Å; E707-K711 VanDerWaalsContact O-N 3.08Å; A708-K711 PolarHBondContact O-N 2.85Å; M709-K711 VanDerWaalsContact C-N 3.35Å; M709-K711 PolarHBondContact O-N 3.49Å; K711-L715 VanDerWaalsContact O-CB 3.29Å; K711-L715 WeakPolarHBondContact O-CB 3.46Å; K711-L715 PolarHBondContact O-N 3.18Å; K711-L715 VanDerWaalsContact O-N 3.07Å; K711-D743 IonicContact NZ-OD2 3.35Å; K711-D743 PolarHBondContact NZ-OD2 3.11Å; K711-Y744 HydrophobicContact CB-CD1 4.13Å; K711-Y744 HydrophobicContact CB-CE1 3.74Å; K711-Y744 HydrophobicContact CD-CD1 4.49Å; K711-Y744 HydrophobicContact CD-CD2 4.27Å; K711-Y744 HydrophobicContact CD-CE1 4.22Å; K711-Y744 HydrophobicContact CD-CE2 4Å; K711-Y744 HydrophobicContact CG-CE1 4.48Å; K711-Y744 WeakPolarHBondContact O-CE1 3.41Å; K711-Y744 PolarHBondContact O-OH 3.28Å; K711-A747 HydrophobicContact CG-CB 3.9Å; K711-L748 HydrophobicContact CB-CD2 4.38Å
712L96Very high93.1Very high0 Ų027.7 Ų27.70%013%0.129CC..Hα-helixtrans-72.6-38.6177-65.6176.1000112.9A708 M709 E710 L715 T716 L748 L779 L781 F801A708-L712 WeakPolarHBondContact O-CG 3.19Å; A708-L712 PolarHBondContact O-N 3.27Å; M709-L712 HydrophobicContact CE-CD1 3.8Å; M709-L712 PolarHBondContact O-N 3.48Å; M709-L712 VanDerWaalsContact O-N 3.13Å; M709-L712 HydrophobicContact SD-CD1 4.48Å; E710-L712 VanDerWaalsContact C-N 3.31Å; E710-L712 PolarHBondContact O-N 3.23Å; L712-L715 PolarHBondContact O-N 3.15Å; L712-T716 WeakPolarHBondContact O-CB 3.45Å; L712-T716 WeakPolarHBondContact O-CG2 3.23Å; L712-T716 PolarHBondContact O-N 3.49Å; L712-T716 PolarHBondContact O-OG1 3.24Å; L712-L748 HydrophobicContact CD1-CD2 4.34Å; L712-L748 HydrophobicContact CD2-CD1 3.98Å; L712-L748 HydrophobicContact CD2-CD2 4.05Å; L712-L748 HydrophobicContact CG-CD2 3.88Å; L712-L779 HydrophobicContact CD2-CD1 4.26Å; L712-L781 HydrophobicContact CD1-CD1 3.61Å; L712-L781 HydrophobicContact CD2-CD1 3.78Å; L712-L781 HydrophobicContact CD2-CD2 4.44Å; L712-L781 HydrophobicContact CG-CD1 4.37Å; L712-F801 HydrophobicContact CB-CD1 4.08Å; L712-F801 HydrophobicContact CB-CD2 3.8Å; L712-F801 HydrophobicContact CB-CE1 3.88Å; L712-F801 HydrophobicContact CB-CE2 3.57Å; L712-F801 HydrophobicContact CB-CG 4.05Å; L712-F801 HydrophobicContact CB-CZ 3.63Å; L712-F801 HydrophobicContact CD1-CB 4.23Å; L712-F801 HydrophobicContact CD1-CD2 3.57Å; L712-F801 HydrophobicContact CD1-CE2 4.1Å; L712-F801 HydrophobicContact CD1-CG 3.94Å; L712-F801 HydrophobicContact CG-CD2 4.33Å
713I93.8Very high92.5Very high34 Ų3430.5 Ų30.517%0.17414%0.141CC..Hα-helixtrans-59-53.4173.4-67.2168.6000109.2S7 M709 E710 L715 T716 D717 F801 V845S7-I713 WeakPolarHBondContact OG-CG2 3.36Å; M709-I713 VanDerWaalsContact O-CG1 3.28Å; M709-I713 WeakPolarHBondContact O-CG1 3.35Å; M709-I713 PolarHBondContact O-N 2.94Å; E710-I713 PolarHBondContact O-N 3.36Å; I713-L715 VanDerWaalsContact C-N 3.35Å; I713-L715 PolarHBondContact O-N 3.14Å; I713-T716 PolarHBondContact O-N 3.36Å; I713-T716 PolarHBondContact O-OG1 2.86Å; I713-D717 WeakPolarHBondContact O-CB 3.4Å; I713-D717 PolarHBondContact O-N 3.23Å; I713-F801 HydrophobicContact CG1-CE2 4.41Å; I713-F801 HydrophobicContact CG1-CZ 3.79Å; I713-V845 HydrophobicContact CD1-CG1 4.4Å; I713-V845 HydrophobicContact CG1-CG1 4.03Å
714N90Very high91.9Very high12 Ų1235 Ų356%0.06416%0.158CC..Hα-helixtrans-53.1-49.9176.1-83.4-32000113.4S7 G8 E710 T716 D717 L718S7-N714 VanDerWaalsContact CA-OD1 3.25Å; S7-N714 WeakPolarHBondContact CA-OD1 3.41Å; S7-N714 WeakPolarHBondContact CB-OD1 3.4Å; S7-N714 VanDerWaalsContact O-CG 3.26Å; S7-N714 PolarHBondContact O-ND2 3.47Å; S7-N714 PolarHBondContact O-OD1 3.27Å; S7-N714 VanDerWaalsContact OG-CG 3.25Å; S7-N714 PolarHBondContact OG-OD1 3.32Å; G8-N714 PolarHBondContact N-OD1 3.08Å; E710-N714 WeakPolarHBondContact O-CB 3.38Å; E710-N714 PolarHBondContact O-N 2.99Å; E710-N714 PolarHBondContact O-ND2 3.01Å; N714-T716 VanDerWaalsContact C-N 3.31Å; N714-T716 PolarHBondContact O-N 2.91Å; N714-D717 PolarHBondContact O-N 3.27Å; N714-L718 WeakPolarHBondContact O-CG 3.33Å; N714-L718 PolarHBondContact O-N 3.41Å
715L92.1Very high91.5Very high0 Ų037.5 Ų37.50%018%0.179CC..Hα-helixtrans-63.2-40.7-176.8-176.755.5000111.6K711 L712 I713 L719 F734 L735 Q738 M739 Y744 L779K711-L715 VanDerWaalsContact O-CB 3.29Å; K711-L715 WeakPolarHBondContact O-CB 3.46Å; K711-L715 PolarHBondContact O-N 3.18Å; K711-L715 VanDerWaalsContact O-N 3.07Å; L712-L715 PolarHBondContact O-N 3.15Å; I713-L715 VanDerWaalsContact C-N 3.35Å; I713-L715 PolarHBondContact O-N 3.14Å; L715-L719 VanDerWaalsContact O-CG 3.31Å; L715-L719 WeakPolarHBondContact O-CG 3.49Å; L715-L719 PolarHBondContact O-N 3.25Å; L715-L719 VanDerWaalsContact O-N 3.13Å; L715-F734 HydrophobicContact CD1-CD1 4.48Å; L715-F734 HydrophobicContact CD1-CE1 3.86Å; L715-L735 HydrophobicContact CD1-CD1 4.4Å; L715-L735 HydrophobicContact CD2-CD1 3.59Å; L715-L735 HydrophobicContact CG-CD1 3.97Å; L715-Q738 HydrophobicContact CD1-CB 3.77Å; L715-Q738 HydrophobicContact CD1-CG 3.88Å; L715-M739 HydrophobicContact CD2-CG 3.96Å; L715-Y744 HydrophobicContact CB-CE1 4.14Å; L715-Y744 HydrophobicContact CD2-CE1 3.94Å; L715-L779 HydrophobicContact CD2-CD1 4.47Å
716T92Very high91.1Very high2 Ų241.8 Ų41.81%0.01220%0.199CC..Hα-helixtrans-73.6-34.1177.650.60000112.9L712 I713 N714 L719 K720 L779 F801 N803L712-T716 WeakPolarHBondContact O-CB 3.45Å; L712-T716 WeakPolarHBondContact O-CG2 3.23Å; L712-T716 PolarHBondContact O-N 3.49Å; L712-T716 PolarHBondContact O-OG1 3.24Å; I713-T716 PolarHBondContact O-N 3.36Å; I713-T716 PolarHBondContact O-OG1 2.86Å; N714-T716 VanDerWaalsContact C-N 3.31Å; N714-T716 PolarHBondContact O-N 2.91Å; T716-L719 PolarHBondContact O-N 2.73Å; T716-K720 WeakPolarHBondContact O-CB 3.49Å; T716-K720 WeakPolarHBondContact O-CD 3.36Å; T716-K720 VanDerWaalsContact O-CG 3.23Å; T716-K720 WeakPolarHBondContact O-CG 3.47Å; T716-K720 PolarHBondContact O-N 3.33Å; T716-L779 HydrophobicContact CG2-CD1 3.51Å; T716-L779 HydrophobicContact CG2-CD2 4.31Å; T716-L779 HydrophobicContact CG2-CG 3.65Å; T716-F801 HydrophobicContact CG2-CD1 3.89Å; T716-F801 HydrophobicContact CG2-CE1 3.72Å; T716-N803 WeakPolarHBondContact OG1-CB 3.3Å; T716-N803 PolarHBondContact OG1-ND2 2.91Å
717D89.4Confident90.7Very high29 Ų2944.5 Ų44.516%0.15522%0.222CC..Hα-helixtrans-64.9-43.6173.9-76.4-14.7000111.6I713 N714 L719 K720 Q721 N803I713-D717 WeakPolarHBondContact O-CB 3.4Å; I713-D717 PolarHBondContact O-N 3.23Å; N714-D717 PolarHBondContact O-N 3.27Å; D717-L719 VanDerWaalsContact C-N 3.32Å; D717-L719 PolarHBondContact O-N 3.2Å; D717-K720 CarbonylContact O-C 3.51Å; D717-K720 PolarHBondContact O-N 3.36Å; D717-K720 VanDerWaalsContact O-N 3.11Å; D717-Q721 VanDerWaalsContact O-CB 3.31Å; D717-Q721 WeakPolarHBondContact O-CB 3.37Å; D717-Q721 VanDerWaalsContact O-CG 3.28Å; D717-Q721 WeakPolarHBondContact O-CG 3.32Å; D717-Q721 PolarHBondContact O-N 3.12Å; D717-N803 PolarHBondContact OD1-ND2 3.35Å
718L89.2Confident90.3Very high4 Ų446.1 Ų46.12%0.02123%0.229CC..Hα-helixtrans-57.1-44.3171.7-77.8168.2000112.2H14 L15 N714 K720 E722 K723 F734H14-L718 HydrophobicContact CB-CD1 4.23Å; H14-L718 HydrophobicContact CB-CD2 3.47Å; H14-L718 VanDerWaalsContact CB-CD2 3.47Å; H14-L718 HydrophobicContact CB-CG 3.95Å; L15-L718 HydrophobicContact CD1-CD1 3.74Å; N714-L718 WeakPolarHBondContact O-CG 3.33Å; N714-L718 PolarHBondContact O-N 3.41Å; L718-K720 VanDerWaalsContact C-N 3.32Å; L718-K720 PolarHBondContact O-N 3.32Å; L718-E722 VanDerWaalsContact CD2-CD 3.44Å; L718-E722 HydrophobicContact CD2-CG 4.21Å; L718-E722 VanDerWaalsContact CD2-OE1 3.32Å; L718-E722 WeakPolarHBondContact CD2-OE1 3.45Å; L718-E722 PolarHBondContact O-N 3Å; L718-K723 PolarHBondContact O-N 3.42Å; L718-K723 VanDerWaalsContact O-N 3.08Å; L718-F734 HydrophobicContact CB-CE1 4.27Å; L718-F734 HydrophobicContact CB-CZ 4.32Å; L718-F734 HydrophobicContact CD1-CZ 4.21Å
719L89.1Confident89.9Confident1 Ų154.8 Ų54.81%0.00527%0.267CS..Hα-helixtrans-64.4-35.5176.5-74.2169.1000112.4L715 T716 D717 K723 K724 Q731 F734 L735 R777 L779L715-L719 VanDerWaalsContact O-CG 3.31Å; L715-L719 WeakPolarHBondContact O-CG 3.49Å; L715-L719 PolarHBondContact O-N 3.25Å; L715-L719 VanDerWaalsContact O-N 3.13Å; T716-L719 PolarHBondContact O-N 2.73Å; D717-L719 VanDerWaalsContact C-N 3.32Å; D717-L719 PolarHBondContact O-N 3.2Å; L719-K723 HydrophobicContact CD2-CB 4.39Å; L719-K723 CarbonylContact O-C 3.58Å; L719-K724 PolarHBondContact O-N 3.28Å; L719-Q731 HydrophobicContact CD2-CB 3.94Å; L719-Q731 HydrophobicContact CD2-CG 4.32Å; L719-F734 HydrophobicContact CD2-CD1 3.81Å; L719-F734 HydrophobicContact CD2-CE1 4.33Å; L719-F734 HydrophobicContact CG-CD1 4.38Å; L719-F734 HydrophobicContact CG-CE1 4.45Å; L719-L735 HydrophobicContact CD1-CD1 4.14Å; L719-R777 PolarHBondContact O-NH1 2.97Å; L719-L779 HydrophobicContact CD1-CD2 4.17Å
720K85.4Confident89.7Confident64 Ų6457.6 Ų57.628%0.27829%0.285SS..Hα-helixtrans-85-22.4-177.3-72.9166.263.1-1750113.7T716 D717 L718 K724 N803T716-K720 WeakPolarHBondContact O-CB 3.49Å; T716-K720 WeakPolarHBondContact O-CD 3.36Å; T716-K720 VanDerWaalsContact O-CG 3.23Å; T716-K720 WeakPolarHBondContact O-CG 3.47Å; T716-K720 PolarHBondContact O-N 3.33Å; D717-K720 CarbonylContact O-C 3.51Å; D717-K720 PolarHBondContact O-N 3.36Å; D717-K720 VanDerWaalsContact O-N 3.11Å; L718-K720 VanDerWaalsContact C-N 3.32Å; L718-K720 PolarHBondContact O-N 3.32Å; K720-K724 WeakPolarHBondContact O-CB 3.02Å; K720-N803 PolarHBondContact NZ-O 3.49Å; K720-N803 PolarHBondContact NZ-OD1 3.48Å
721Q85.4Confident89.6Confident101 Ų10156.5 Ų56.547%0.47228%0.279SS..Hα-helixtrans-103.7-69.1-177.7-63.2173.517.200110.9H14 D717H14-Q721 PolarHBondContact NE2-OE1 2.91Å; D717-Q721 VanDerWaalsContact O-CB 3.31Å; D717-Q721 WeakPolarHBondContact O-CB 3.37Å; D717-Q721 VanDerWaalsContact O-CG 3.28Å; D717-Q721 WeakPolarHBondContact O-CG 3.32Å; D717-Q721 PolarHBondContact O-N 3.12Å
722E87.2Confident89.6Confident113 Ų11358 Ų5853%0.52829%0.287SS..THydrogen-bonded Turntrans-78.6-36.1-171.6-62.6-177.4-166.200113.1H14 L718H14-E722 IonicContact CD2-OE1 2.66Å; L718-E722 VanDerWaalsContact CD2-CD 3.44Å; L718-E722 HydrophobicContact CD2-CG 4.21Å; L718-E722 VanDerWaalsContact CD2-OE1 3.32Å; L718-E722 WeakPolarHBondContact CD2-OE1 3.45Å; L718-E722 PolarHBondContact O-N 3Å
723K85.4Confident89.4Confident59 Ų5964.4 Ų64.426%0.25732%0.315SS..THydrogen-bonded Turntrans-101.422.7-179.2-49.7-59.7178.4-170.30112.5L718 L719 D725 E726 Q731 F734 R777L718-K723 PolarHBondContact O-N 3.42Å; L718-K723 VanDerWaalsContact O-N 3.08Å; L719-K723 HydrophobicContact CD2-CB 4.39Å; L719-K723 CarbonylContact O-C 3.58Å; K723-D725 PolarHBondContact O-N 3.46Å; K723-E726 HydrophobicContact CB-CG 4.39Å; K723-E726 HydrophobicContact CD-CG 4.29Å; K723-Q731 HydrophobicContact CB-CG 4.2Å; K723-Q731 PolarHBondContact O-NE2 2.9Å; K723-F734 HydrophobicContact CG-CD1 4.43Å; K723-R777 PolarHBondContact O-NH1 2.94Å
724K85.4Confident89.4Confident111 Ų11164.2 Ų64.248%0.48331%0.313SS..SBendtrans-65.4-40.2-174.282.1-176.7-177.1-178.20113L719 K720 R777L719-K724 PolarHBondContact O-N 3.28Å; K720-K724 WeakPolarHBondContact O-CB 3.02Å; K724-R777 VanDerWaalsContact CA-NH1 3.35Å; K724-R777 PolarHBondContact O-NH2 3.36Å
725D88.3Confident89.5Confident145 Ų14563.8 Ų63.878%0.77531%0.31SS*.SBendtrans-93.2-4.7-173.9-58.6-48.7000112.7K723K723-D725 PolarHBondContact O-N 3.46Å
726E90.5Very high89.6Confident89 Ų8965.7 Ų65.742%0.41632%0.322SS..SBendtrans-72.9150.4179.4-69.5-70.3178.400111.9K723 V730 Q731K723-E726 HydrophobicContact CB-CG 4.39Å; K723-E726 HydrophobicContact CD-CG 4.29Å; E726-V730 HydrophobicContact CB-CB 4.28Å; E726-V730 HydrophobicContact CB-CG1 4.27Å; E726-V730 HydrophobicContact CG-CG1 4.33Å; E726-Q731 HydrophobicContact CB-CG 4.06Å; E726-Q731 PolarHBondContact O-NE2 3.41Å
727A89.6Confident89.6Confident62 Ų6270.4 Ų70.451%0.51234%0.344SS..  trans-64.2148.317400000111.5K729 V730 Q731A727-K729 PolarHBondContact O-N 3.49Å; A727-V730 WeakPolarHBondContact O-CB 3.31Å; A727-V730 PolarHBondContact O-N 3.32Å; A727-Q731 PolarHBondContact O-N 2.87Å; A727-Q731 VanDerWaalsContact O-N 3.12Å
728Q86.3Confident89.8Confident91 Ų9169.4 Ų69.443%0.42534%0.338SS..Hα-helixtrans-53.6-33.2-179.5179.8166.315.100113V730 Q731 M732 M771Q728-V730 PolarHBondContact O-N 3.18Å; Q728-Q731 PolarHBondContact O-N 3.45Å; Q728-M732 HydrophobicContact CG-CG 4.33Å; Q728-M732 WeakPolarHBondContact O-CB 3.17Å; Q728-M732 WeakPolarHBondContact O-CG 3.48Å; Q728-M732 PolarHBondContact O-N 3.45Å; Q728-M771 HydrophobicContact CB-CE 4.32Å; Q728-M771 HydrophobicContact CG-CE 3.64Å; Q728-M771 PolarHBondContact NE2-O 2.79Å; Q728-M771 VanDerWaalsContact NE2-O 3.13Å
729K90.2Very high90Very high183 Ų18369.2 Ų69.280%0.79634%0.338SS*.Hα-helixtrans-61.4-40.6175.1-172.9178.9180-179.50112.9A727 K733A727-K729 PolarHBondContact O-N 3.49Å; K729-K733 PolarHBondContact O-N 2.95Å; K729-K733 VanDerWaalsContact O-N 3.11Å
730V92.8Very high90.3Very high67 Ų6775.6 Ų75.641%0.40637%0.365SS..Hα-helixtrans-70.9-43.5177.9177.90000110.1E726 A727 Q728 M732 K733 F734E726-V730 HydrophobicContact CB-CB 4.28Å; E726-V730 HydrophobicContact CB-CG1 4.27Å; E726-V730 HydrophobicContact CG-CG1 4.33Å; A727-V730 WeakPolarHBondContact O-CB 3.31Å; A727-V730 PolarHBondContact O-N 3.32Å; Q728-V730 PolarHBondContact O-N 3.18Å; V730-M732 VanDerWaalsContact C-N 3.33Å; V730-M732 PolarHBondContact O-N 3.42Å; V730-K733 PolarHBondContact O-N 3.13Å; V730-F734 PolarHBondContact O-N 2.79Å
731Q90.3Very high90.5Very high6 Ų675.8 Ų75.83%0.02836%0.364CS..Hα-helixtrans-60.2-42.2175.6-65.1179.925.700112.1L719 K723 E726 A727 Q728 F734 L735 M771 R777L719-Q731 HydrophobicContact CD2-CB 3.94Å; L719-Q731 HydrophobicContact CD2-CG 4.32Å; K723-Q731 HydrophobicContact CB-CG 4.2Å; K723-Q731 PolarHBondContact O-NE2 2.9Å; E726-Q731 HydrophobicContact CB-CG 4.06Å; E726-Q731 PolarHBondContact O-NE2 3.41Å; A727-Q731 PolarHBondContact O-N 2.87Å; A727-Q731 VanDerWaalsContact O-N 3.12Å; Q728-Q731 PolarHBondContact O-N 3.45Å; Q731-F734 PolarHBondContact O-N 3.31Å; Q731-L735 WeakPolarHBondContact O-CB 3.49Å; Q731-L735 PolarHBondContact O-N 3.39Å; Q731-M771 HydrophobicContact CB-CE 4.02Å; Q731-M771 PolarHBondContact OE1-SD 3.24Å; Q731-R777 VanDerWaalsContact NE2-CZ 3.27Å
732M92.5Very high90.7Very high45 Ų4574.3 Ų74.322%0.22236%0.363CS..Hα-helixtrans-64-40.7175.4-82.2-57-51.700112.7Q728 V730 F734 L735 V736 R770 M771Q728-M732 HydrophobicContact CG-CG 4.33Å; Q728-M732 WeakPolarHBondContact O-CB 3.17Å; Q728-M732 WeakPolarHBondContact O-CG 3.48Å; Q728-M732 PolarHBondContact O-N 3.45Å; V730-M732 VanDerWaalsContact C-N 3.33Å; V730-M732 PolarHBondContact O-N 3.42Å; M732-F734 VanDerWaalsContact C-N 3.35Å; M732-L735 HydrophobicContact CE-CD2 4.07Å; M732-L735 PolarHBondContact O-N 3.03Å; M732-L735 HydrophobicContact SD-CD2 3.98Å; M732-V736 HydrophobicContact CE-CG2 4.47Å; M732-V736 WeakPolarHBondContact O-CG2 3.34Å; M732-V736 PolarHBondContact O-N 3.27Å; M732-V736 VanDerWaalsContact O-N 3.08Å; M732-R770 HydrophobicContact CE-CB 4.16Å; M732-R770 HydrophobicContact SD-CB 4.33Å; M732-M771 HydrophobicContact SD-CB 3.82Å; M732-M771 PolarHBondContact SD-N 2.93Å
733K92.8Very high90.6Very high135 Ų13569 Ų6959%0.58734%0.339SS*.Hα-helixtrans-61.1-46.3174.5-177.8177.4170.5-178.70110.8K729 V730 V736 E737K729-K733 PolarHBondContact O-N 2.95Å; K729-K733 VanDerWaalsContact O-N 3.11Å; V730-K733 PolarHBondContact O-N 3.13Å; K733-V736 PolarHBondContact O-N 3.39Å; K733-E737 WeakPolarHBondContact CE-OE1 3.12Å; K733-E737 IonicContact NZ-OE1 2.98Å; K733-E737 WeakPolarHBondContact O-CB 3.42Å; K733-E737 WeakPolarHBondContact O-CG 3.46Å; K733-E737 PolarHBondContact O-N 3.04Å
734F93.1Very high90.9Very high30 Ų3066.3 Ų66.313%0.13233%0.327CS..Hα-helixtrans-59.7-46.6175.5173.7-98.4000112.2L715 L718 L719 K723 V730 Q731 M732 V736 E737 Q738L715-F734 HydrophobicContact CD1-CD1 4.48Å; L715-F734 HydrophobicContact CD1-CE1 3.86Å; L718-F734 HydrophobicContact CB-CE1 4.27Å; L718-F734 HydrophobicContact CB-CZ 4.32Å; L718-F734 HydrophobicContact CD1-CZ 4.21Å; L719-F734 HydrophobicContact CD2-CD1 3.81Å; L719-F734 HydrophobicContact CD2-CE1 4.33Å; L719-F734 HydrophobicContact CG-CD1 4.38Å; L719-F734 HydrophobicContact CG-CE1 4.45Å; K723-F734 HydrophobicContact CG-CD1 4.43Å; V730-F734 PolarHBondContact O-N 2.79Å; Q731-F734 PolarHBondContact O-N 3.31Å; M732-F734 VanDerWaalsContact C-N 3.35Å; F734-V736 PolarHBondContact O-N 3.11Å; F734-E737 PolarHBondContact O-N 3.36Å; F734-Q738 HydrophobicContact CD1-CG 4.23Å; F734-Q738 HydrophobicContact CD2-CG 4.12Å; F734-Q738 HydrophobicContact CE1-CG 3.82Å; F734-Q738 HydrophobicContact CE2-CG 3.7Å; F734-Q738 HydrophobicContact CG-CG 4.38Å; F734-Q738 HydrophobicContact CZ-CG 3.53Å; F734-Q738 WeakPolarHBondContact O-CG 3.47Å; F734-Q738 PolarHBondContact O-N 3.31Å
735L93.3Very high91.3Very high2 Ų263.7 Ų63.71%0.0132%0.317CS..Hα-helixtrans-53.7-52.2177.4-179.475000111.2L715 L719 Q731 M732 E737 Q738 M739 L779L715-L735 HydrophobicContact CD1-CD1 4.4Å; L715-L735 HydrophobicContact CD2-CD1 3.59Å; L715-L735 HydrophobicContact CG-CD1 3.97Å; L719-L735 HydrophobicContact CD1-CD1 4.14Å; Q731-L735 WeakPolarHBondContact O-CB 3.49Å; Q731-L735 PolarHBondContact O-N 3.39Å; M732-L735 HydrophobicContact CE-CD2 4.07Å; M732-L735 PolarHBondContact O-N 3.03Å; M732-L735 HydrophobicContact SD-CD2 3.98Å; L735-E737 PolarHBondContact O-N 3.26Å; L735-Q738 PolarHBondContact O-N 3.06Å; L735-M739 HydrophobicContact CD1-SD 3.99Å; L735-M739 HydrophobicContact CD2-SD 4.5Å; L735-M739 HydrophobicContact CG-SD 3.93Å; L735-M739 WeakPolarHBondContact O-CB 3.42Å; L735-M739 VanDerWaalsContact O-CG 3.31Å; L735-M739 WeakPolarHBondContact O-CG 3.42Å; L735-M739 PolarHBondContact O-N 3.28Å; L735-L779 HydrophobicContact CD1-CD1 4.17Å; L735-L779 HydrophobicContact CD1-CD2 3.87Å; L735-L779 HydrophobicContact CD2-CD2 4.29Å
736V93.4Very high91.5Very high41 Ų4161.1 Ų61.125%0.24830%0.303CS..Hα-helixtrans-65.4-40-179.3174.40000111.5M732 K733 F734 K740M732-V736 HydrophobicContact CE-CG2 4.47Å; M732-V736 WeakPolarHBondContact O-CG2 3.34Å; M732-V736 PolarHBondContact O-N 3.27Å; M732-V736 VanDerWaalsContact O-N 3.08Å; K733-V736 PolarHBondContact O-N 3.39Å; F734-V736 PolarHBondContact O-N 3.11Å; V736-K740 HydrophobicContact CG1-CD 4.07Å; V736-K740 HydrophobicContact CG1-CG 4.47Å; V736-K740 WeakPolarHBondContact O-CB 3.44Å; V736-K740 VanDerWaalsContact O-CG 3.26Å; V736-K740 WeakPolarHBondContact O-CG 3.5Å; V736-K740 PolarHBondContact O-N 3.46Å; V736-K740 VanDerWaalsContact O-N 3.1Å
737E93.1Very high91.6Very high100 Ų10057 Ų5747%0.46729%0.285SS..Hα-helixtrans-63.4-40.7176.3-77.2174178.300112.4K733 F734 L735K733-E737 WeakPolarHBondContact CE-OE1 3.12Å; K733-E737 IonicContact NZ-OE1 2.98Å; K733-E737 WeakPolarHBondContact O-CB 3.42Å; K733-E737 WeakPolarHBondContact O-CG 3.46Å; K733-E737 PolarHBondContact O-N 3.04Å; F734-E737 PolarHBondContact O-N 3.36Å; L735-E737 PolarHBondContact O-N 3.26Å
738Q91.9Very high92Very high8 Ų854 Ų544%0.03726%0.26CS..Hα-helixtrans-68.7-47.8176-66.2-49.4-52.800111.6L715 F734 L735 K740 R741L715-Q738 HydrophobicContact CD1-CB 3.77Å; L715-Q738 HydrophobicContact CD1-CG 3.88Å; F734-Q738 HydrophobicContact CD1-CG 4.23Å; F734-Q738 HydrophobicContact CD2-CG 4.12Å; F734-Q738 HydrophobicContact CE1-CG 3.82Å; F734-Q738 HydrophobicContact CE2-CG 3.7Å; F734-Q738 HydrophobicContact CG-CG 4.38Å; F734-Q738 HydrophobicContact CZ-CG 3.53Å; F734-Q738 WeakPolarHBondContact O-CG 3.47Å; F734-Q738 PolarHBondContact O-N 3.31Å; L735-Q738 PolarHBondContact O-N 3.06Å; Q738-K740 PolarHBondContact O-N 2.74Å; Q738-R741 VanDerWaalsContact O-CB 3.29Å; Q738-R741 WeakPolarHBondContact O-CB 3.32Å; Q738-R741 WeakPolarHBondContact O-CG 3.32Å; Q738-R741 PolarHBondContact O-N 3.1Å; Q738-R741 VanDerWaalsContact OE1-NE 3.16Å
739M94.3Very high92.5Very high1 Ų150.9 Ų50.91%0.00525%0.245CC..Hα-helixtrans-65.5-22.7-177.8-69.2-178.875.700113.4L715 L735 R741 M745 L748 L764 L766 C769 L781L715-M739 HydrophobicContact CD2-CG 3.96Å; L735-M739 HydrophobicContact CD1-SD 3.99Å; L735-M739 HydrophobicContact CD2-SD 4.5Å; L735-M739 HydrophobicContact CG-SD 3.93Å; L735-M739 WeakPolarHBondContact O-CB 3.42Å; L735-M739 VanDerWaalsContact O-CG 3.31Å; L735-M739 WeakPolarHBondContact O-CG 3.42Å; L735-M739 PolarHBondContact O-N 3.28Å; M739-R741 VanDerWaalsContact C-N 3.29Å; M739-M745 WeakPolarHBondContact O-CG 3.5Å; M739-M745 VanDerWaalsContact O-SD 3.36Å; M739-L748 HydrophobicContact CE-CD1 4.24Å; M739-L764 HydrophobicContact CE-CD1 3.76Å; M739-L764 HydrophobicContact CE-CD2 4.13Å; M739-L766 HydrophobicContact CB-CD2 3.77Å; M739-L766 HydrophobicContact CE-CD2 3.9Å; M739-L766 HydrophobicContact SD-CD2 4.35Å; M739-C769 HydrophobicContact CE-CB 4.47Å; M739-L781 HydrophobicContact CE-CD2 3.76Å; M739-L781 HydrophobicContact SD-CD2 4.45Å
740K94.6Very high92.8Very high135 Ų13545.7 Ų45.759%0.58723%0.232SC*.THydrogen-bonded Turntrans-76.2-11.7174.1-79.1178.9177.4-177.90114.2V736 Q738 L766V736-K740 HydrophobicContact CG1-CD 4.07Å; V736-K740 HydrophobicContact CG1-CG 4.47Å; V736-K740 WeakPolarHBondContact O-CB 3.44Å; V736-K740 VanDerWaalsContact O-CG 3.26Å; V736-K740 WeakPolarHBondContact O-CG 3.5Å; V736-K740 PolarHBondContact O-N 3.46Å; V736-K740 VanDerWaalsContact O-N 3.1Å; Q738-K740 PolarHBondContact O-N 2.74Å; K740-L766 HydrophobicContact CG-CD1 3.6Å
741R89.9Confident93.1Very high67 Ų6742.9 Ų42.925%0.25322%0.215SC..SBendtrans-68.3144.8-178.9-65.6174.9171.6-154.91.8110.4R38 Q738 M739 D743 Y744 M745R38-R741 VanDerWaalsContact CZ-NH1 3.27Å; Q738-R741 VanDerWaalsContact O-CB 3.29Å; Q738-R741 WeakPolarHBondContact O-CB 3.32Å; Q738-R741 WeakPolarHBondContact O-CG 3.32Å; Q738-R741 PolarHBondContact O-N 3.1Å; Q738-R741 VanDerWaalsContact OE1-NE 3.16Å; M739-R741 VanDerWaalsContact C-N 3.29Å; R741-D743 VanDerWaalsContact C-N 3.25Å; R741-D743 VanDerWaalsContact CB-OD1 3.31Å; R741-D743 WeakPolarHBondContact CB-OD1 3.35Å; R741-D743 PolarHBondContact O-N 3.19Å; R741-Y744 PolarHBondContact O-N 3.47Å; R741-Y744 VanDerWaalsContact O-N 3.08Å; R741-M745 WeakPolarHBondContact O-CG 3.36Å; R741-M745 PolarHBondContact O-N 3Å
742P89.7Confident93.4Very high70 Ų7043.3 Ų43.346%0.45522%0.218SC..Hα-helixtrans-54.6-39.5-178-27.335.2000113.5R88 Y744 M745 D746R88-P742 VanDerWaalsContact NH1-C 3.27Å; R88-P742 PolarHBondContact NH1-O 3.21Å; P742-Y744 PolarHBondContact O-N 3.44Å; P742-M745 PolarHBondContact O-N 3.21Å; P742-D746 WeakPolarHBondContact O-CB 3.47Å; P742-D746 PolarHBondContact O-N 3.43Å; P742-D746 VanDerWaalsContact O-OD2 3.1Å
743D85.8Confident93.7Very high2 Ų241.3 Ų41.31%0.01121%0.208CC..Hα-helixtrans-68-32.1-179.867-71.6000113.6R38 R88 K711 R741 A747R38-D743 IonicContact CZ-OD1 2.88Å; R38-D743 IonicContact CZ-OD2 3.88Å; R38-D743 IonicContact NH1-OD1 3.55Å; R38-D743 PolarHBondContact NH1-OD1 3.2Å; R38-D743 IonicContact NH2-OD1 3.18Å; R38-D743 PolarHBondContact NH2-OD1 3.29Å; R38-D743 IonicContact NH2-OD2 3.81Å; R38-D743 PolarHBondContact NH2-OD2 3.13Å; R88-D743 VanDerWaalsContact NH1-N 3.15Å; K711-D743 IonicContact NZ-OD2 3.35Å; K711-D743 PolarHBondContact NZ-OD2 3.11Å; R741-D743 VanDerWaalsContact C-N 3.25Å; R741-D743 VanDerWaalsContact CB-OD1 3.31Å; R741-D743 WeakPolarHBondContact CB-OD1 3.35Å; R741-D743 PolarHBondContact O-N 3.19Å; D743-A747 VanDerWaalsContact O-CB 3.29Å; D743-A747 WeakPolarHBondContact O-CB 3.5Å; D743-A747 PolarHBondContact O-N 3.38Å
744Y92.3Very high94Very high3 Ų334.9 Ų34.91%0.01218%0.18CC..Hα-helixtrans-76.5-40.7172.3-88.9-96.8000112K711 L715 R741 P742 A747 L748K711-Y744 HydrophobicContact CB-CD1 4.13Å; K711-Y744 HydrophobicContact CB-CE1 3.74Å; K711-Y744 HydrophobicContact CD-CD1 4.49Å; K711-Y744 HydrophobicContact CD-CD2 4.27Å; K711-Y744 HydrophobicContact CD-CE1 4.22Å; K711-Y744 HydrophobicContact CD-CE2 4Å; K711-Y744 HydrophobicContact CG-CE1 4.48Å; K711-Y744 WeakPolarHBondContact O-CE1 3.41Å; K711-Y744 PolarHBondContact O-OH 3.28Å; L715-Y744 HydrophobicContact CB-CE1 4.14Å; L715-Y744 HydrophobicContact CD2-CE1 3.94Å; R741-Y744 PolarHBondContact O-N 3.47Å; R741-Y744 VanDerWaalsContact O-N 3.08Å; P742-Y744 PolarHBondContact O-N 3.44Å; Y744-A747 PolarHBondContact O-N 2.76Å; Y744-L748 HydrophobicContact CD1-CD1 3.83Å; Y744-L748 HydrophobicContact CD1-CG 4.5Å; Y744-L748 WeakPolarHBondContact O-CB 3.23Å; Y744-L748 WeakPolarHBondContact O-CG 3.45Å; Y744-L748 PolarHBondContact O-N 3.25Å
745M93.3Very high94.2Very high55 Ų5534.7 Ų34.727%0.27118%0.18SC..Hα-helixtrans-63.1-43.7179-70.1-71.1-76.600111.5M739 R741 P742 Q749 L766M739-M745 WeakPolarHBondContact O-CG 3.5Å; M739-M745 VanDerWaalsContact O-SD 3.36Å; R741-M745 WeakPolarHBondContact O-CG 3.36Å; R741-M745 PolarHBondContact O-N 3Å; P742-M745 PolarHBondContact O-N 3.21Å; M745-Q749 VanDerWaalsContact O-CB 3.26Å; M745-Q749 WeakPolarHBondContact O-CB 3.42Å; M745-Q749 VanDerWaalsContact O-CG 3.23Å; M745-Q749 WeakPolarHBondContact O-CG 3.5Å; M745-Q749 PolarHBondContact O-N 2.94Å; M745-Q749 PolarHBondContact SD-NE2 2.74Å; M745-Q749 VanDerWaalsContact SD-NE2 3.37Å; M745-L766 HydrophobicContact SD-CD1 4.42Å
746D91.7Very high94.5Very high91 Ų9137 Ų3749%0.48719%0.193SC..Hα-helixtrans-66.6-42.3178.9-65.2-27.5000112R88 P742R88-D746 IonicContact CZ-OD2 2.73Å; R88-D746 IonicContact NH1-OD2 2.71Å; R88-D746 PolarHBondContact NH1-OD2 3.28Å; R88-D746 IonicContact NH2-OD2 3.57Å; R88-D746 PolarHBondContact NH2-OD2 3.41Å; P742-D746 WeakPolarHBondContact O-CB 3.47Å; P742-D746 PolarHBondContact O-N 3.43Å; P742-D746 VanDerWaalsContact O-OD2 3.1Å
747A93.6Very high94.7Very high3 Ų336.1 Ų36.13%0.02519%0.187CC..Hα-helixtrans-73.8-37.1-178.700000113.1E707 A708 K711 D743 Y744E707-A747 HydrophobicContact CG-CB 4.06Å; A708-A747 WeakPolarHBondContact CB-O 3.35Å; K711-A747 HydrophobicContact CG-CB 3.9Å; D743-A747 VanDerWaalsContact O-CB 3.29Å; D743-A747 WeakPolarHBondContact O-CB 3.5Å; D743-A747 PolarHBondContact O-N 3.38Å; Y744-A747 PolarHBondContact O-N 2.76Å
748L97.3Very high94.9Very high0 Ų032 Ų320%017%0.171CC..THydrogen-bonded Turntrans-95.310.8-174.3-60.6-178.3000114A708 K711 L712 M739 Y744 F751 L764 W783A708-L748 HydrophobicContact CB-CD2 3.86Å; A708-L748 WeakPolarHBondContact O-CD2 3.44Å; K711-L748 HydrophobicContact CB-CD2 4.38Å; L712-L748 HydrophobicContact CD1-CD2 4.34Å; L712-L748 HydrophobicContact CD2-CD1 3.98Å; L712-L748 HydrophobicContact CD2-CD2 4.05Å; L712-L748 HydrophobicContact CG-CD2 3.88Å; M739-L748 HydrophobicContact CE-CD1 4.24Å; Y744-L748 HydrophobicContact CD1-CD1 3.83Å; Y744-L748 HydrophobicContact CD1-CG 4.5Å; Y744-L748 WeakPolarHBondContact O-CB 3.23Å; Y744-L748 WeakPolarHBondContact O-CG 3.45Å; Y744-L748 PolarHBondContact O-N 3.25Å; L748-F751 WeakPolarHBondContact O-CE1 3.42Å; L748-L764 HydrophobicContact CB-CD1 3.59Å; L748-L764 HydrophobicContact CD1-CD1 4.13Å; L748-W783 PolarHBondContact O-NE1 2.99Å
749Q97.3Very high95.2Very high25 Ų2533.3 Ų33.312%0.11718%0.177CC..SBendtrans-129.5158.9178.6-63.5-173.84.600112.6R704 M745 F751 G762 N763 L764R704-Q749 PolarHBondContact NH2-O 3.39Å; M745-Q749 VanDerWaalsContact O-CB 3.26Å; M745-Q749 WeakPolarHBondContact O-CB 3.42Å; M745-Q749 VanDerWaalsContact O-CG 3.23Å; M745-Q749 WeakPolarHBondContact O-CG 3.5Å; M745-Q749 PolarHBondContact O-N 2.94Å; M745-Q749 PolarHBondContact SD-NE2 2.74Å; M745-Q749 VanDerWaalsContact SD-NE2 3.37Å; Q749-F751 PolarHBondContact O-N 2.78Å; Q749-G762 WeakPolarHBondContact CA-O 3.24Å; Q749-G762 WeakPolarHBondContact CB-O 3.18Å; Q749-N763 PolarHBondContact OE1-OD1 3.37Å; Q749-L764 HydrophobicContact CG-CB 4.36Å; Q749-L764 HydrophobicContact CG-CD1 4.33Å; Q749-L764 HydrophobicContact CG-CG 4.17Å; Q749-L764 VanDerWaalsContact NE2-N 3.1Å
750S96.6Very high95.4Very high74 Ų7436.8 Ų36.852%0.51719%0.193SC..SBendtrans57.440.9175.3-56.40000114.4R704 L761 G762R704-S750 PolarHBondContact NH1-O 2.82Å; R704-S750 PolarHBondContact NH2-O 3.29Å; R704-S750 VanDerWaalsContact NH2-O 3.08Å; S750-L761 CarbonylContact C-O 3.45Å; S750-L761 WeakPolarHBondContact CA-O 3.46Å; S750-L761 PolarHBondContact N-O 3.14Å; S750-G762 PolarHBondContact N-O 3.16Å
751F97.6Very high95.6Very high8 Ų830.4 Ų30.44%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-127.4169.4177.573.9-74.9000110.7R704 Q705 A708 M709 L748 Q749 L761 W783R704-F751 HydrophobicContact CB-CB 4.42Å; Q705-F751 HydrophobicContact CG-CD2 4Å; A708-F751 HydrophobicContact CB-CD2 4.42Å; A708-F751 HydrophobicContact CB-CE1 4.3Å; A708-F751 HydrophobicContact CB-CE2 3.99Å; A708-F751 HydrophobicContact CB-CZ 3.93Å; M709-F751 HydrophobicContact CE-CE2 4.43Å; L748-F751 WeakPolarHBondContact O-CE1 3.42Å; Q749-F751 PolarHBondContact O-N 2.78Å; F751-L761 HydrophobicContact CD1-CB 4.19Å; F751-L761 HydrophobicContact CD2-CD1 4.35Å; F751-L761 HydrophobicContact CE1-CB 4.01Å; F751-L761 HydrophobicContact CE1-CD1 3.81Å; F751-L761 HydrophobicContact CE2-CD1 3.66Å; F751-L761 HydrophobicContact CZ-CB 4.41Å; F751-L761 HydrophobicContact CZ-CD1 3.34Å; F751-L761 HydrophobicContact CZ-CG 4.47Å; F751-L761 PolarHBondContact N-O 2.84Å; F751-L761 VanDerWaalsContact N-O 3.09Å; F751-L761 WeakPolarHBondContact O-CA 3.38Å; F751-L761 WeakPolarHBondContact O-CB 3.3Å; F751-L761 PolarHBondContact O-N 3.18Å; F751-W783 HydrophobicContact CE1-CZ2 4.34Å; F751-W783 HydrophobicContact CZ-CZ2 4.24Å
752T97.7Very high95.9Very high15 Ų1527.3 Ų27.39%0.09216%0.155CC..EExtended strand (participates in β ladder)trans-89.2143.2178.954.20000111.1Q705 P754Q705-T752 WeakPolarHBondContact CG-O 3.18Å; Q705-T752 PolarHBondContact NE2-OG1 3.4Å; T752-P754 WeakPolarHBondContact O-CD 3.38Å
753S98.6Very high96.3Very high2 Ų227.8 Ų27.81%0.01415%0.153CC..  trans-65130.4178.61780000111.7L755 N756 H759 I799S753-L755 PolarHBondContact O-N 2.82Å; S753-L755 PolarHBondContact OG-N 3.06Å; S753-N756 CarbonylContact O-C 3.47Å; S753-N756 PolarHBondContact O-N 3.02Å; S753-H759 PolarHBondContact N-O 3.29Å; S753-I799 WeakPolarHBondContact OG-CD1 3.26Å
754P98.6Very high96.9Very high1 Ų128.4 Ų28.41%0.00616%0.156CC..SBendtrans-65-23.9172.7-22.934.1000113.7H665 W669 Q705 T752 L839 L847H665-P754 PolarHBondContact NE2-O 2.93Å; W669-P754 HydrophobicContact CZ2-CB 4.19Å; W669-P754 HydrophobicContact CZ2-CG 4.19Å; Q705-P754 HydrophobicContact CB-CG 4.22Å; Q705-P754 HydrophobicContact CG-CG 4.22Å; T752-P754 WeakPolarHBondContact O-CD 3.38Å; P754-L839 HydrophobicContact CB-CD2 3.9Å; P754-L839 VanDerWaalsContact O-CD2 3.3Å; P754-L839 WeakPolarHBondContact O-CD2 3.48Å; P754-L847 HydrophobicContact CB-CD1 3.71Å; P754-L847 HydrophobicContact CG-CD1 3.77Å
755L98.5Very high97.1Very high25 Ų2532.4 Ų32.413%0.13117%0.172CC..SBendtrans-71.3-34.7175.9-72.8171.2000112.5F666 S753 I799 L839 L847 E849F666-L755 WeakPolarHBondContact CZ-O 3.44Å; S753-L755 PolarHBondContact O-N 2.82Å; S753-L755 PolarHBondContact OG-N 3.06Å; L755-I799 HydrophobicContact CD1-CD1 4.18Å; L755-I799 HydrophobicContact CD1-CG1 4.12Å; L755-I799 HydrophobicContact CD1-CG2 3.74Å; L755-L839 HydrophobicContact CD2-CB 3.75Å; L755-L847 HydrophobicContact CD1-CB 4.06Å; L755-L847 HydrophobicContact CD2-CB 4Å; L755-L847 HydrophobicContact CG-CB 3.9Å; L755-L847 HydrophobicContact CG-CD1 4.39Å; L755-E849 HydrophobicContact CD1-CB 4.13Å
756N98.1Very high97.2Very high52 Ų5231.1 Ų31.128%0.27817%0.166SC..  trans-154.2108.8174.9-176.7-4.9000109.5S753 A758 H759S753-N756 CarbonylContact O-C 3.47Å; S753-N756 PolarHBondContact O-N 3.02Å; N756-A758 PolarHBondContact O-N 2.87Å; N756-A758 VanDerWaalsContact O-N 3.12Å; N756-A758 WeakPolarHBondContact OD1-CB 3.43Å; N756-A758 PolarHBondContact OD1-N 3.41Å; N756-A758 VanDerWaalsContact OD1-N 3.1Å; N756-H759 PolarHBondContact ND2-NE2 3.31Å; N756-H759 WeakPolarHBondContact O-CB 3.27Å; N756-H759 PolarHBondContact O-N 3.02Å
757P97.6Very high97.3Very high21 Ų2133.3 Ų33.314%0.13617%0.173CC..THydrogen-bonded Turntrans-67.6-13.2-175.727.9-35.2000113.8H665 Y698 H759H665-P757 HydrophobicContact CB-CG 4.21Å; Y698-P757 WeakPolarHBondContact OH-CB 3.24Å; P757-H759 PolarHBondContact O-N 3.24Å
758A97.8Very high97.4Very high15 Ų1537 Ų3712%0.12419%0.19CC..THydrogen-bonded Turntrans-72.1-13.4170.800000113.1C257 D258 N756C257-A758 WeakPolarHBondContact CB-O 3.36Å; D258-A758 PolarHBondContact N-O 2.83Å; N756-A758 PolarHBondContact O-N 2.87Å; N756-A758 VanDerWaalsContact O-N 3.12Å; N756-A758 WeakPolarHBondContact OD1-CB 3.43Å; N756-A758 PolarHBondContact OD1-N 3.41Å; N756-A758 VanDerWaalsContact OD1-N 3.1Å
759H98.4Very high97.3Very high34 Ų3437.3 Ų37.316%0.15719%0.192CC..SBendtrans-98.4114177.4-61.1175.5000110S753 N756 P757 F794S753-H759 PolarHBondContact N-O 3.29Å; N756-H759 PolarHBondContact ND2-NE2 3.31Å; N756-H759 WeakPolarHBondContact O-CB 3.27Å; N756-H759 PolarHBondContact O-N 3.02Å; P757-H759 PolarHBondContact O-N 3.24Å; H759-F794 HydrophobicContact CB-CZ 4.42Å; H759-F794 AromaticContact CD2-CZ 3.84Å; H759-F794 AromaticContact CE1-CE1 3.87Å; H759-F794 AromaticContact CE1-CZ 3.79Å; H759-F794 AromaticContact CG-CZ 3.78Å; H759-F794 AromaticContact ND1-CZ 3.75Å; H759-F794 AromaticContact NE2-CE1 3.91Å; H759-F794 AromaticContact NE2-CZ 3.86Å
760Q98.1Very high97.2Very high74 Ų7440.7 Ų40.735%0.34620%0.203SC..EExtended strand (participates in β ladder)trans-78.9140.2170.9-60.8-170.2-2.600110.5D258 P786D258-Q760 PolarHBondContact OD2-NE2 3.43Å; Q760-P786 HydrophobicContact CB-CG 3.57Å
761L98.4Very high97Very high1 Ų137.6 Ų37.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-106.8104.4174.3-59.7178.2000107.4S750 F751 W783 N797 I799S750-L761 CarbonylContact C-O 3.45Å; S750-L761 WeakPolarHBondContact CA-O 3.46Å; S750-L761 PolarHBondContact N-O 3.14Å; F751-L761 HydrophobicContact CD1-CB 4.19Å; F751-L761 HydrophobicContact CD2-CD1 4.35Å; F751-L761 HydrophobicContact CE1-CB 4.01Å; F751-L761 HydrophobicContact CE1-CD1 3.81Å; F751-L761 HydrophobicContact CE2-CD1 3.66Å; F751-L761 HydrophobicContact CZ-CB 4.41Å; F751-L761 HydrophobicContact CZ-CD1 3.34Å; F751-L761 HydrophobicContact CZ-CG 4.47Å; F751-L761 PolarHBondContact N-O 2.84Å; F751-L761 VanDerWaalsContact N-O 3.09Å; F751-L761 WeakPolarHBondContact O-CA 3.38Å; F751-L761 WeakPolarHBondContact O-CB 3.3Å; F751-L761 PolarHBondContact O-N 3.18Å; L761-W783 HydrophobicContact CB-CB 4.17Å; L761-W783 HydrophobicContact CB-CD2 4.23Å; L761-W783 HydrophobicContact CB-CG 3.86Å; L761-W783 HydrophobicContact CD1-CD2 4.25Å; L761-W783 HydrophobicContact CD1-CE3 4.37Å; L761-W783 HydrophobicContact CD1-CZ2 4.46Å; L761-W783 HydrophobicContact CD2-CB 4.05Å; L761-W783 HydrophobicContact CD2-CD2 4.05Å; L761-W783 HydrophobicContact CD2-CE3 3.99Å; L761-W783 HydrophobicContact CD2-CG 4.11Å; L761-W783 HydrophobicContact CG-CD2 4.41Å; L761-W783 HydrophobicContact CG-CG 4.44Å; L761-N797 HydrophobicContact CD2-CB 3.81Å; L761-N797 WeakPolarHBondContact CD2-ND2 3.47Å; L761-I799 HydrophobicContact CD1-CD1 4.25Å; L761-I799 HydrophobicContact CD2-CD1 4.35Å
762G98.1Very high96.6Very high3 Ų340.3 Ų40.33%0.03119%0.194CC..  trans-81.2-130.1-178.300000112.3Q749 S750 E784Q749-G762 WeakPolarHBondContact CA-O 3.24Å; Q749-G762 WeakPolarHBondContact CB-O 3.18Å; S750-G762 PolarHBondContact N-O 3.16Å; G762-E784 WeakPolarHBondContact CA-O 3.31Å; G762-E784 PolarHBondContact N-O 3.04Å
763N98Very high95.7Very high80 Ų8044.3 Ų44.343%0.42822%0.223SC..SBendtrans-70.9144.1178.2-58.3-38.2000111.2Q749 W783 E784Q749-N763 PolarHBondContact OE1-OD1 3.37Å; N763-W783 CarbonylContact O-C 3.56Å; N763-W783 WeakPolarHBondContact O-CA 3.28Å; N763-E784 HydrophobicContact CB-CG 4.47Å; N763-E784 PolarHBondContact ND2-OE2 3.06Å; N763-E784 PolarHBondContact O-N 3.29Å
764L97.3Very high94.8Very high14 Ų1447 Ų477%0.07324%0.242CC..BIsolated β-bridgetrans-74.3132.4171.3-85.8166.1000110.7M739 L748 Q749 L766 W783M739-L764 HydrophobicContact CE-CD1 3.76Å; M739-L764 HydrophobicContact CE-CD2 4.13Å; L748-L764 HydrophobicContact CB-CD1 3.59Å; L748-L764 HydrophobicContact CD1-CD1 4.13Å; Q749-L764 HydrophobicContact CG-CB 4.36Å; Q749-L764 HydrophobicContact CG-CD1 4.33Å; Q749-L764 HydrophobicContact CG-CG 4.17Å; Q749-L764 VanDerWaalsContact NE2-N 3.1Å; L764-L766 HydrophobicContact CB-CD2 4.14Å; L764-L766 HydrophobicContact CB-CG 4.45Å; L764-L766 HydrophobicContact CD1-CD2 4.4Å; L764-L766 PolarHBondContact O-N 2.86Å; L764-W783 HydrophobicContact CD2-CD2 3.92Å; L764-W783 VanDerWaalsContact CD2-CE2 3.44Å; L764-W783 HydrophobicContact CD2-CG 4.07Å; L764-W783 HydrophobicContact CD2-CZ2 3.96Å
765R97.1Very high93.6Very high88 Ų8851.6 Ų51.633%0.33228%0.28SS..  trans-93.581.4171.4-58.2-173.6114.2-141.8-0.6108.7E767 E768 C769 N782 E784R765-E767 PolarHBondContact O-N 2.85Å; R765-E768 HydrophobicContact CB-CB 4.49Å; R765-E768 PolarHBondContact O-N 2.99Å; R765-C769 PolarHBondContact O-N 2.85Å; R765-C769 PolarHBondContact O-SG 3.46Å; R765-N782 HydrophobicContact CB-CB 4.44Å; R765-N782 WeakPolarHBondContact CD-OD1 3.33Å; R765-N782 PolarHBondContact N-O 2.77Å; R765-E784 HydrophobicContact CG-CG 3.64Å; R765-E784 IonicContact NE-OE1 3.48Å; R765-E784 PolarHBondContact NE-OE1 3.13Å
766L95Very high92.7Very high28 Ų2854.3 Ų54.315%0.14729%0.291CS..THydrogen-bonded Turntrans-60.4-28.8-170.3-67.4177.6000113.2M739 K740 M745 L764 E768 C769M739-L766 HydrophobicContact CB-CD2 3.77Å; M739-L766 HydrophobicContact CE-CD2 3.9Å; M739-L766 HydrophobicContact SD-CD2 4.35Å; K740-L766 HydrophobicContact CG-CD1 3.6Å; M745-L766 HydrophobicContact SD-CD1 4.42Å; L764-L766 HydrophobicContact CB-CD2 4.14Å; L764-L766 HydrophobicContact CB-CG 4.45Å; L764-L766 HydrophobicContact CD1-CD2 4.4Å; L764-L766 PolarHBondContact O-N 2.86Å; L766-E768 VanDerWaalsContact C-N 3.25Å; L766-E768 PolarHBondContact O-N 2.9Å; L766-C769 PolarHBondContact O-N 3.16Å
767E94.4Very high92.1Very high137 Ų13754.3 Ų54.364%0.6429%0.287SS*.THydrogen-bonded Turntrans-64.9-26.3175.965.8-75.9178.400113.6R765R765-E767 PolarHBondContact O-N 2.85Å
768E95.1Very high91.8Very high80 Ų8053.7 Ų53.737%0.37428%0.283SS..THydrogen-bonded Turntrans-95.7-14.9176.4-65-60.315800112.6R765 L766 R770 N782R765-E768 HydrophobicContact CB-CB 4.49Å; R765-E768 PolarHBondContact O-N 2.99Å; L766-E768 VanDerWaalsContact C-N 3.25Å; L766-E768 PolarHBondContact O-N 2.9Å; E768-R770 PolarHBondContact O-NH1 2.84Å; E768-N782 HydrophobicContact CB-CB 3.81Å
769C95.8Very high91.8Very high6 Ų653 Ų534%0.04128%0.277CS..  trans-73.9131179-66.20000111M739 R765 L766 W780 N782M739-C769 HydrophobicContact CE-CB 4.47Å; R765-C769 PolarHBondContact O-N 2.85Å; R765-C769 PolarHBondContact O-SG 3.46Å; L766-C769 PolarHBondContact O-N 3.16Å; C769-W780 CarbonylContact C-O 3.5Å; C769-W780 VanDerWaalsContact CA-O 3.28Å; C769-W780 WeakPolarHBondContact CA-O 3.34Å; C769-N782 PolarHBondContact SG-N 3.23Å
770R93.7Very high91.8Very high96 Ų9653.2 Ų53.236%0.36228%0.277SS..EExtended strand (participates in β ladder)trans-154.4153.1-175.459.9-177.6177.6-92.3-0.2113.9M732 E768 W780M732-R770 HydrophobicContact CE-CB 4.16Å; M732-R770 HydrophobicContact SD-CB 4.33Å; E768-R770 PolarHBondContact O-NH1 2.84Å; R770-W780 HydrophobicContact CG-CB 3.74Å; R770-W780 HydrophobicContact CG-CG 4.19Å; R770-W780 PolarHBondContact N-O 2.78Å; R770-W780 WeakPolarHBondContact O-CB 3.38Å; R770-W780 PolarHBondContact O-N 3.36Å
771M92.1Very high91.8Very high10 Ų1049.7 Ų49.75%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-83.8127.4167.2-172.8-17461.800109.8Q728 Q731 M732 R777 L779Q728-M771 HydrophobicContact CB-CE 4.32Å; Q728-M771 HydrophobicContact CG-CE 3.64Å; Q728-M771 PolarHBondContact NE2-O 2.79Å; Q728-M771 VanDerWaalsContact NE2-O 3.13Å; Q731-M771 HydrophobicContact CB-CE 4.02Å; Q731-M771 PolarHBondContact OE1-SD 3.24Å; M732-M771 HydrophobicContact SD-CB 3.82Å; M732-M771 PolarHBondContact SD-N 2.93Å; M771-R777 HydrophobicContact CG-CB 3.95Å; M771-R777 HydrophobicContact SD-CB 3.69Å; M771-R777 HydrophobicContact SD-CG 3.81Å; M771-L779 HydrophobicContact CB-CD2 4.26Å; M771-L779 HydrophobicContact CG-CD2 4.33Å
772M89.4Confident91.8Very high64 Ų6449.9 Ų49.932%0.31526%0.261SS..  trans-76152.3178.2-59.1-176.274.800111.2S774 P778 W780 I800M772-S774 PolarHBondContact O-N 3.31Å; M772-S774 VanDerWaalsContact O-N 3.08Å; M772-P778 HydrophobicContact CB-CB 4.45Å; M772-P778 HydrophobicContact CB-CG 4.48Å; M772-P778 PolarHBondContact N-O 3.26Å; M772-P778 HydrophobicContact SD-CB 4.17Å; M772-W780 HydrophobicContact CE-CE3 4.27Å; M772-W780 HydrophobicContact CG-CB 4.31Å; M772-W780 HydrophobicContact SD-CE3 4.14Å; M772-I800 HydrophobicContact CE-CD1 4.3Å; M772-I800 HydrophobicContact SD-CD1 3.85Å; M772-I800 HydrophobicContact SD-CG1 3.97Å; M772-I800 HydrophobicContact SD-CG2 4.22Å
773S79.2Confident91.8Very high99 Ų9950 Ų5069%0.69226%0.261SS*.SBendtrans-73.35.4-175.853.20000115.4
774S80.3Confident91.8Very high59 Ų5949.5 Ų49.541%0.41326%0.256SS..SBendtrans-71.2151.4177.7176.70000111.5M772 K776 R777M772-S774 PolarHBondContact O-N 3.31Å; M772-S774 VanDerWaalsContact O-N 3.08Å; S774-K776 PolarHBondContact O-N 3.12Å; S774-K776 VanDerWaalsContact O-N 3.09Å; S774-R777 WeakPolarHBondContact O-CA 3.17Å; S774-R777 PolarHBondContact O-N 2.99Å
775A73.8Confident91.9Very high98 Ų9849.3 Ų49.381%0.8126%0.255SS*.THydrogen-bonded Turntrans-55.3-30.7-179.600000113.4R777A775-R777 VanDerWaalsContact C-N 3.3Å
776K80Confident91.9Very high82 Ų8248.2 Ų48.236%0.35726%0.259SS..THydrogen-bonded Turntrans-84.8-0.1179-59.7-70.6-177.2143.50113.8S774 G804 D805S774-K776 PolarHBondContact O-N 3.12Å; S774-K776 VanDerWaalsContact O-N 3.09Å; K776-G804 PolarHBondContact NZ-O 2.91Å; K776-D805 WeakPolarHBondContact CE-OD1 3.4Å; K776-D805 IonicContact NZ-OD1 2.69Å; K776-D805 PolarHBondContact NZ-OD1 2.96Å
777R83.7Confident92Very high51 Ų5148 Ų4819%0.19226%0.258CS..  trans49.154178.4-59.5175.3-171.7-157.2-12.6114.8L719 K723 K724 Q731 M771 S774 A775L719-R777 PolarHBondContact O-NH1 2.97Å; K723-R777 PolarHBondContact O-NH1 2.94Å; K724-R777 VanDerWaalsContact CA-NH1 3.35Å; K724-R777 PolarHBondContact O-NH2 3.36Å; Q731-R777 VanDerWaalsContact NE2-CZ 3.27Å; M771-R777 HydrophobicContact CG-CB 3.95Å; M771-R777 HydrophobicContact SD-CB 3.69Å; M771-R777 HydrophobicContact SD-CG 3.81Å; S774-R777 WeakPolarHBondContact O-CA 3.17Å; S774-R777 PolarHBondContact O-N 2.99Å; A775-R777 VanDerWaalsContact C-N 3.3Å
778P93.1Very high91.9Very high8 Ų846 Ų465%0.05225%0.25CC..  trans-58.5146.6174.3-14.626.9000111.5M772 I800 F801 K802M772-P778 HydrophobicContact CB-CB 4.45Å; M772-P778 HydrophobicContact CB-CG 4.48Å; M772-P778 PolarHBondContact N-O 3.26Å; M772-P778 HydrophobicContact SD-CB 4.17Å; P778-I800 HydrophobicContact CB-CG2 3.68Å; P778-F801 CarbonylContact C-O 3.45Å; P778-F801 WeakPolarHBondContact CA-O 3.41Å; P778-K802 HydrophobicContact CB-CB 4.44Å; P778-K802 HydrophobicContact CB-CG 4.28Å; P778-K802 HydrophobicContact CG-CD 4.43Å; P778-K802 HydrophobicContact CG-CG 4.15Å
779L97.2Very high92Very high1 Ų142.1 Ų42.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-95.3125173.7-57.4-176.7000109.7L712 L715 T716 L719 L735 M771 L781 I800 F801L712-L779 HydrophobicContact CD2-CD1 4.26Å; L715-L779 HydrophobicContact CD2-CD1 4.47Å; T716-L779 HydrophobicContact CG2-CD1 3.51Å; T716-L779 HydrophobicContact CG2-CD2 4.31Å; T716-L779 HydrophobicContact CG2-CG 3.65Å; L719-L779 HydrophobicContact CD1-CD2 4.17Å; L735-L779 HydrophobicContact CD1-CD1 4.17Å; L735-L779 HydrophobicContact CD1-CD2 3.87Å; L735-L779 HydrophobicContact CD2-CD2 4.29Å; M771-L779 HydrophobicContact CB-CD2 4.26Å; M771-L779 HydrophobicContact CG-CD2 4.33Å; L779-L781 HydrophobicContact CB-CD2 4.23Å; L779-L781 HydrophobicContact CB-CG 4.2Å; L779-I800 CarbonylContact O-C 3.49Å; L779-I800 VanDerWaalsContact O-CA 3.29Å; L779-I800 WeakPolarHBondContact O-CA 3.37Å; L779-F801 HydrophobicContact CB-CB 4.37Å; L779-F801 HydrophobicContact CD1-CD1 4.49Å; L779-F801 PolarHBondContact N-O 3.37Å; L779-F801 PolarHBondContact O-N 2.9Å
780W97.8Very high92Very high38 Ų3842.7 Ų42.714%0.14424%0.236CC..EExtended strand (participates in β ladder)trans-86.7115.5164.9-175.1-71.3000108.3C769 R770 M772 E798 I800 V850C769-W780 CarbonylContact C-O 3.5Å; C769-W780 VanDerWaalsContact CA-O 3.28Å; C769-W780 WeakPolarHBondContact CA-O 3.34Å; R770-W780 HydrophobicContact CG-CB 3.74Å; R770-W780 HydrophobicContact CG-CG 4.19Å; R770-W780 PolarHBondContact N-O 2.78Å; R770-W780 WeakPolarHBondContact O-CB 3.38Å; R770-W780 PolarHBondContact O-N 3.36Å; M772-W780 HydrophobicContact CE-CE3 4.27Å; M772-W780 HydrophobicContact CG-CB 4.31Å; M772-W780 HydrophobicContact SD-CE3 4.14Å; W780-E798 PolarHBondContact NE1-OE1 3.22Å; W780-I800 HydrophobicContact CE3-CD1 4.22Å; W780-I800 HydrophobicContact CE3-CG1 4.05Å; W780-I800 HydrophobicContact CZ3-CD1 4.33Å; W780-V850 HydrophobicContact CD2-CG2 4.33Å; W780-V850 HydrophobicContact CE3-CG2 4.17Å; W780-V850 HydrophobicContact CH2-CB 4.26Å; W780-V850 HydrophobicContact CH2-CG1 3.27Å; W780-V850 HydrophobicContact CH2-CG2 3.93Å; W780-V850 HydrophobicContact CZ2-CB 4.39Å; W780-V850 HydrophobicContact CZ2-CG1 3.5Å; W780-V850 HydrophobicContact CZ2-CG2 4.07Å; W780-V850 HydrophobicContact CZ3-CG1 4.05Å; W780-V850 HydrophobicContact CZ3-CG2 3.97Å
781L98.4Very high92.1Very high1 Ų142.1 Ų42.11%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-115.3140-177.4-58.6170.3000109.4L712 M739 L779 W783 E798 I799 F801L712-L781 HydrophobicContact CD1-CD1 3.61Å; L712-L781 HydrophobicContact CD2-CD1 3.78Å; L712-L781 HydrophobicContact CD2-CD2 4.44Å; L712-L781 HydrophobicContact CG-CD1 4.37Å; M739-L781 HydrophobicContact CE-CD2 3.76Å; M739-L781 HydrophobicContact SD-CD2 4.45Å; L779-L781 HydrophobicContact CB-CD2 4.23Å; L779-L781 HydrophobicContact CB-CG 4.2Å; L781-W783 HydrophobicContact CB-CE3 4.13Å; L781-W783 HydrophobicContact CB-CH2 3.26Å; L781-W783 HydrophobicContact CB-CZ2 4.05Å; L781-W783 HydrophobicContact CB-CZ3 3.29Å; L781-W783 HydrophobicContact CD1-CH2 3.5Å; L781-W783 HydrophobicContact CD1-CZ2 4.14Å; L781-W783 HydrophobicContact CD1-CZ3 4.33Å; L781-W783 HydrophobicContact CG-CH2 3.98Å; L781-W783 HydrophobicContact CG-CZ3 4.43Å; L781-E798 WeakPolarHBondContact O-CA 3.09Å; L781-I799 PolarHBondContact N-O 3.05Å; L781-I799 PolarHBondContact O-N 3.46Å; L781-F801 HydrophobicContact CD1-CB 3.93Å
782N98.3Very high92.3Very high4 Ų443.9 Ų43.92%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-133.1124.5-177-172.9-49.9000109.9R765 E768 C769 N797 E798R765-N782 HydrophobicContact CB-CB 4.44Å; R765-N782 WeakPolarHBondContact CD-OD1 3.33Å; R765-N782 PolarHBondContact N-O 2.77Å; E768-N782 HydrophobicContact CB-CB 3.81Å; C769-N782 PolarHBondContact SG-N 3.23Å; N782-N797 WeakPolarHBondContact CA-O 3.36Å; N782-E798 HydrophobicContact CB-CG 4.27Å; N782-E798 VanDerWaalsContact ND2-CG 3.29Å; N782-E798 WeakPolarHBondContact ND2-CG 3.44Å; N782-E798 PolarHBondContact ND2-OE1 3.33Å
783W98.6Very high92.6Very high5 Ų543.6 Ų43.62%0.01925%0.246CC..EExtended strand (participates in β ladder)trans-118.1150176.9-67-94.7000111.3L748 F751 L761 N763 L764 L781 S796 N797 I799L748-W783 PolarHBondContact O-NE1 2.99Å; F751-W783 HydrophobicContact CE1-CZ2 4.34Å; F751-W783 HydrophobicContact CZ-CZ2 4.24Å; L761-W783 HydrophobicContact CB-CB 4.17Å; L761-W783 HydrophobicContact CB-CD2 4.23Å; L761-W783 HydrophobicContact CB-CG 3.86Å; L761-W783 HydrophobicContact CD1-CD2 4.25Å; L761-W783 HydrophobicContact CD1-CE3 4.37Å; L761-W783 HydrophobicContact CD1-CZ2 4.46Å; L761-W783 HydrophobicContact CD2-CB 4.05Å; L761-W783 HydrophobicContact CD2-CD2 4.05Å; L761-W783 HydrophobicContact CD2-CE3 3.99Å; L761-W783 HydrophobicContact CD2-CG 4.11Å; L761-W783 HydrophobicContact CG-CD2 4.41Å; L761-W783 HydrophobicContact CG-CG 4.44Å; N763-W783 CarbonylContact O-C 3.56Å; N763-W783 WeakPolarHBondContact O-CA 3.28Å; L764-W783 HydrophobicContact CD2-CD2 3.92Å; L764-W783 VanDerWaalsContact CD2-CE2 3.44Å; L764-W783 HydrophobicContact CD2-CG 4.07Å; L764-W783 HydrophobicContact CD2-CZ2 3.96Å; L781-W783 HydrophobicContact CB-CE3 4.13Å; L781-W783 HydrophobicContact CB-CH2 3.26Å; L781-W783 HydrophobicContact CB-CZ2 4.05Å; L781-W783 HydrophobicContact CB-CZ3 3.29Å; L781-W783 HydrophobicContact CD1-CH2 3.5Å; L781-W783 HydrophobicContact CD1-CZ2 4.14Å; L781-W783 HydrophobicContact CD1-CZ3 4.33Å; L781-W783 HydrophobicContact CG-CH2 3.98Å; L781-W783 HydrophobicContact CG-CZ3 4.43Å; W783-S796 CarbonylContact O-C 3.58Å; W783-S796 VanDerWaalsContact O-CA 3.22Å; W783-S796 WeakPolarHBondContact O-CA 3.3Å; W783-N797 PolarHBondContact N-O 3Å; W783-N797 PolarHBondContact O-N 2.86Å; W783-I799 HydrophobicContact CZ3-CB 4Å; W783-I799 HydrophobicContact CZ3-CD1 4.12Å; W783-I799 HydrophobicContact CZ3-CG1 4.19Å
784E98.3Very high93.4Very high71 Ų7140.7 Ų40.733%0.33222%0.221SC..EExtended strand (participates in β ladder)trans-68.6142.7163.7-61.3-174.3154.400110.3G762 N763 R765 P786G762-E784 WeakPolarHBondContact CA-O 3.31Å; G762-E784 PolarHBondContact N-O 3.04Å; N763-E784 HydrophobicContact CB-CG 4.47Å; N763-E784 PolarHBondContact ND2-OE2 3.06Å; N763-E784 PolarHBondContact O-N 3.29Å; R765-E784 HydrophobicContact CG-CG 3.64Å; R765-E784 IonicContact NE-OE1 3.48Å; R765-E784 PolarHBondContact NE-OE1 3.13Å; E784-P786 WeakPolarHBondContact O-CD 3.43Å
785N98.1Very high94.2Very high9 Ų944.1 Ų44.15%0.04823%0.231CC..  trans-86.7112.9167.9179.5-2.1000108.9G256 D787 S790 F794 Q795G256-N785 PolarHBondContact O-ND2 3.46Å; N785-D787 PolarHBondContact O-N 3.31Å; N785-D787 WeakPolarHBondContact OD1-CB 3.19Å; N785-D787 PolarHBondContact OD1-N 2.96Å; N785-D787 VanDerWaalsContact OD1-N 3.12Å; N785-S790 WeakPolarHBondContact O-CB 3.43Å; N785-S790 PolarHBondContact O-OG 3.43Å; N785-F794 HydrophobicContact CB-CD2 4.1Å; N785-F794 HydrophobicContact CB-CE2 4.11Å; N785-F794 VanDerWaalsContact CB-O 3.24Å; N785-F794 WeakPolarHBondContact CB-O 3.46Å; N785-F794 WeakPolarHBondContact ND2-CE2 3.13Å; N785-F794 PolarHBondContact ND2-O 3.27Å; N785-Q795 PolarHBondContact N-O 3.42Å
786P97.5Very high95.2Very high66 Ų6639.9 Ų39.943%0.42920%0.195SC..  trans-77.3-3.9-174.233.8-37.4000113.9Q760 E784Q760-P786 HydrophobicContact CB-CG 3.57Å; E784-P786 WeakPolarHBondContact O-CD 3.43Å
787D96.3Very high96.1Very high22 Ų2236.8 Ų36.812%0.11818%0.182CC..SBendtrans-61.2138.6178.7-173.6-90.3000111.5K253 G256 N785 M789 S790K253-D787 IonicContact NZ-OD2 2.72Å; K253-D787 PolarHBondContact NZ-OD2 3.02Å; G256-D787 WeakPolarHBondContact CA-OD1 3.27Å; G256-D787 PolarHBondContact N-OD1 2.77Å; N785-D787 PolarHBondContact O-N 3.31Å; N785-D787 WeakPolarHBondContact OD1-CB 3.19Å; N785-D787 PolarHBondContact OD1-N 2.96Å; N785-D787 VanDerWaalsContact OD1-N 3.12Å; D787-M789 PolarHBondContact O-N 2.76Å; D787-M789 WeakPolarHBondContact OD1-CA 3.48Å; D787-M789 WeakPolarHBondContact OD1-CB 3.4Å; D787-M789 PolarHBondContact OD1-N 3.45Å; D787-S790 VanDerWaalsContact O-CB 3.31Å; D787-S790 WeakPolarHBondContact O-CB 3.23Å; D787-S790 PolarHBondContact O-N 3.25Å; D787-S790 PolarHBondContact O-OG 2.87Å
788M93.7Very high96.8Very high95 Ų9535.7 Ų35.747%0.46818%0.18SC..THydrogen-bonded Turntrans-59.8-20.6-178.3-66.1-175.375.400113.4I197 N202 K204I197-M788 HydrophobicContact CD1-CB 4.14Å; I197-M788 HydrophobicContact CD1-CE 3.77Å; I197-M788 HydrophobicContact CD1-SD 3.71Å; I197-M788 HydrophobicContact CG2-CE 4.13Å; N202-M788 HydrophobicContact CB-CE 4.04Å; K204-M788 WeakPolarHBondContact CE-O 3.41Å; K204-M788 PolarHBondContact NZ-O 3.08Å
789M96.4Very high97Very high0 Ų035.5 Ų35.50%018%0.178CC..THydrogen-bonded Turntrans-115.225.1179.9-61.4-71-176.700112W195 I197 K204 C255 M286 D787 E791 L792W195-M789 HydrophobicContact CB-CE 3.9Å; W195-M789 HydrophobicContact CG-CE 4.49Å; I197-M789 HydrophobicContact CD1-CE 3.8Å; I197-M789 HydrophobicContact CG1-CE 3.48Å; I197-M789 VanDerWaalsContact CG1-CE 3.48Å; K204-M789 HydrophobicContact CB-CE 4.29Å; K204-M789 HydrophobicContact CD-CE 3.89Å; K204-M789 HydrophobicContact CD-SD 3.63Å; K204-M789 VanDerWaalsContact CE-SD 3.57Å; K204-M789 HydrophobicContact CG-CE 3.72Å; K204-M789 HydrophobicContact CG-SD 4.17Å; C255-M789 HydrophobicContact CB-CB 3.75Å; C255-M789 HydrophobicContact CB-CG 4.39Å; M286-M789 HydrophobicContact SD-CE 4.03Å; M286-M789 HydrophobicContact SD-CG 4.02Å; D787-M789 PolarHBondContact O-N 2.76Å; D787-M789 WeakPolarHBondContact OD1-CA 3.48Å; D787-M789 WeakPolarHBondContact OD1-CB 3.4Å; D787-M789 PolarHBondContact OD1-N 3.45Å; M789-E791 PolarHBondContact O-N 2.96Å; M789-E791 VanDerWaalsContact O-N 3.11Å; M789-L792 HydrophobicContact CB-CD1 4.26Å; M789-L792 WeakPolarHBondContact O-CB 3.45Å; M789-L792 PolarHBondContact O-N 3.38Å; M789-L792 HydrophobicContact SD-CD1 4.1Å
790S96.2Very high97.1Very high18 Ų1836.7 Ų36.713%0.12618%0.184CC..G310 helixtrans-56-28.7-177.163.30000113.7N785 D787 L792 L793 F794 Q795N785-S790 WeakPolarHBondContact O-CB 3.43Å; N785-S790 PolarHBondContact O-OG 3.43Å; D787-S790 VanDerWaalsContact O-CB 3.31Å; D787-S790 WeakPolarHBondContact O-CB 3.23Å; D787-S790 PolarHBondContact O-N 3.25Å; D787-S790 PolarHBondContact O-OG 2.87Å; S790-L792 PolarHBondContact O-N 3.43Å; S790-L793 PolarHBondContact O-N 2.95Å; S790-F794 CarbonylContact O-C 3.59Å; S790-F794 WeakPolarHBondContact O-CA 3.49Å; S790-F794 PolarHBondContact O-N 3.35Å; S790-F794 VanDerWaalsContact O-O 3.1Å; S790-Q795 PolarHBondContact O-N 3.1Å
791E95.7Very high97.1Very high83 Ų8334.9 Ų34.939%0.38818%0.178SC..G310 helixtrans-64-18.9176.775.3-77.9-176.900114.3K204 M789 Q795K204-E791 VanDerWaalsContact NZ-CD 3.25Å; K204-E791 IonicContact NZ-OE1 2.88Å; K204-E791 PolarHBondContact NZ-OE1 3.22Å; K204-E791 IonicContact NZ-OE2 3.88Å; K204-E791 PolarHBondContact NZ-OE2 3.03Å; M789-E791 PolarHBondContact O-N 2.96Å; M789-E791 VanDerWaalsContact O-N 3.11Å; E791-Q795 HydrophobicContact CB-CG 4.31Å
792L96.8Very high97Very high47 Ų4736 Ų3625%0.24618%0.182CC..G310 helixtrans-90.6-7-179.6-60.2178.7000113.5W195 C255 N284 M789 S790W195-L792 HydrophobicContact CD2-CD1 4.01Å; W195-L792 VanDerWaalsContact CE2-CD1 3.47Å; W195-L792 HydrophobicContact CG-CD1 4.23Å; W195-L792 HydrophobicContact CZ2-CD1 3.82Å; W195-L792 HydrophobicContact CZ2-CD2 3.99Å; C255-L792 HydrophobicContact CB-CB 3.99Å; C255-L792 HydrophobicContact CB-CD1 3.9Å; N284-L792 HydrophobicContact CB-CB 4.37Å; N284-L792 HydrophobicContact CB-CD1 4.21Å; M789-L792 HydrophobicContact CB-CD1 4.26Å; M789-L792 WeakPolarHBondContact O-CB 3.45Å; M789-L792 PolarHBondContact O-N 3.38Å; M789-L792 HydrophobicContact SD-CD1 4.1Å; S790-L792 PolarHBondContact O-N 3.43Å
793L95.5Very high96.8Very high59 Ų5936.5 Ų36.531%0.30919%0.185SC..THydrogen-bonded Turntrans-129.9-67.6179.4-170.168.4000111.6C255 C257 Y272 S790C255-L793 WeakPolarHBondContact O-CB 3.38Å; C257-L793 HydrophobicContact CB-CD2 3.89Å; Y272-L793 HydrophobicContact CE2-CD1 4.31Å; S790-L793 PolarHBondContact O-N 2.95Å
794F95.8Very high96.3Very high37 Ų3737 Ų3716%0.16219%0.192CC..  trans-162.2133.4170.252-97.5000110H759 N785 S790 S796 N797H759-F794 HydrophobicContact CB-CZ 4.42Å; H759-F794 AromaticContact CD2-CZ 3.84Å; H759-F794 AromaticContact CE1-CE1 3.87Å; H759-F794 AromaticContact CE1-CZ 3.79Å; H759-F794 AromaticContact CG-CZ 3.78Å; H759-F794 AromaticContact ND1-CZ 3.75Å; H759-F794 AromaticContact NE2-CE1 3.91Å; H759-F794 AromaticContact NE2-CZ 3.86Å; N785-F794 HydrophobicContact CB-CD2 4.1Å; N785-F794 HydrophobicContact CB-CE2 4.11Å; N785-F794 VanDerWaalsContact CB-O 3.24Å; N785-F794 WeakPolarHBondContact CB-O 3.46Å; N785-F794 WeakPolarHBondContact ND2-CE2 3.13Å; N785-F794 PolarHBondContact ND2-O 3.27Å; S790-F794 CarbonylContact O-C 3.59Å; S790-F794 WeakPolarHBondContact O-CA 3.49Å; S790-F794 PolarHBondContact O-N 3.35Å; S790-F794 VanDerWaalsContact O-O 3.1Å; F794-S796 WeakPolarHBondContact CD2-O 3.29Å; F794-N797 HydrophobicContact CD2-CB 4.38Å; F794-N797 HydrophobicContact CE2-CB 4.07Å
795Q96.5Very high95.9Very high131 Ų13135.9 Ų35.961%0.61219%0.188SC*.SBendtrans-81.3-19.5176.7-63.9179.5-56.300113.1N785 S790 E791N785-Q795 PolarHBondContact N-O 3.42Å; S790-Q795 PolarHBondContact O-N 3.1Å; E791-Q795 HydrophobicContact CB-CG 4.31Å
796S96.1Very high95.6Very high10 Ų1037.1 Ų37.17%0.0720%0.195CC..EExtended strand (participates in β ladder)trans-133138.4-178.364.60000110.5W783 F794 R852W783-S796 CarbonylContact O-C 3.58Å; W783-S796 VanDerWaalsContact O-CA 3.22Å; W783-S796 WeakPolarHBondContact O-CA 3.3Å; F794-S796 WeakPolarHBondContact CD2-O 3.29Å; S796-R852 PolarHBondContact O-NH1 2.91Å; S796-R852 VanDerWaalsContact OG-CZ 3.27Å; S796-R852 PolarHBondContact OG-NH1 3.4Å; S796-R852 PolarHBondContact OG-NH2 2.83Å
797N97.8Very high95.5Very high16 Ų1634 Ų349%0.08618%0.175CC..EExtended strand (participates in β ladder)trans-112.3124.6176.5-164.5-18.9000108.9L761 N782 W783 F794L761-N797 HydrophobicContact CD2-CB 3.81Å; L761-N797 WeakPolarHBondContact CD2-ND2 3.47Å; N782-N797 WeakPolarHBondContact CA-O 3.36Å; W783-N797 PolarHBondContact N-O 3Å; W783-N797 PolarHBondContact O-N 2.86Å; F794-N797 HydrophobicContact CD2-CB 4.38Å; F794-N797 HydrophobicContact CE2-CB 4.07Å
798E98.3Very high95.4Very high29 Ų2934.8 Ų34.814%0.13618%0.176CC..EExtended strand (participates in β ladder)trans-119.8125.8-172.1-66.4-179.1125.500109.6W780 L781 N782 V850W780-E798 PolarHBondContact NE1-OE1 3.22Å; L781-E798 WeakPolarHBondContact O-CA 3.09Å; N782-E798 HydrophobicContact CB-CG 4.27Å; N782-E798 VanDerWaalsContact ND2-CG 3.29Å; N782-E798 WeakPolarHBondContact ND2-CG 3.44Å; N782-E798 PolarHBondContact ND2-OE1 3.33Å; E798-V850 HydrophobicContact CB-CB 3.61Å; E798-V850 HydrophobicContact CB-CG1 3.95Å; E798-V850 HydrophobicContact CB-CG2 3.87Å; E798-V850 WeakPolarHBondContact O-CB 3.38Å; E798-V850 PolarHBondContact O-N 3.31Å
799I98.6Very high95.4Very high4 Ų430.7 Ų30.72%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-135.2137.1-178-54.9173.5000108.6S753 L755 L761 L781 W783 L847S753-I799 WeakPolarHBondContact OG-CD1 3.26Å; L755-I799 HydrophobicContact CD1-CD1 4.18Å; L755-I799 HydrophobicContact CD1-CG1 4.12Å; L755-I799 HydrophobicContact CD1-CG2 3.74Å; L761-I799 HydrophobicContact CD1-CD1 4.25Å; L761-I799 HydrophobicContact CD2-CD1 4.35Å; L781-I799 PolarHBondContact N-O 3.05Å; L781-I799 PolarHBondContact O-N 3.46Å; W783-I799 HydrophobicContact CZ3-CB 4Å; W783-I799 HydrophobicContact CZ3-CD1 4.12Å; W783-I799 HydrophobicContact CZ3-CG1 4.19Å; I799-L847 HydrophobicContact CG2-CB 3.98Å; I799-L847 HydrophobicContact CG2-CD2 3.98Å; I799-L847 HydrophobicContact CG2-CG 4.46Å
800I98.6Very high95.3Very high26 Ų2631 Ų3113%0.13316%0.158CC..EExtended strand (participates in β ladder)trans-90.6118.8168.6-65164.6000108.1M772 P778 L779 W780 L847 I848 V850M772-I800 HydrophobicContact CE-CD1 4.3Å; M772-I800 HydrophobicContact SD-CD1 3.85Å; M772-I800 HydrophobicContact SD-CG1 3.97Å; M772-I800 HydrophobicContact SD-CG2 4.22Å; P778-I800 HydrophobicContact CB-CG2 3.68Å; L779-I800 CarbonylContact O-C 3.49Å; L779-I800 VanDerWaalsContact O-CA 3.29Å; L779-I800 WeakPolarHBondContact O-CA 3.37Å; W780-I800 HydrophobicContact CE3-CD1 4.22Å; W780-I800 HydrophobicContact CE3-CG1 4.05Å; W780-I800 HydrophobicContact CZ3-CD1 4.33Å; I800-L847 CarbonylContact O-C 3.59Å; I800-L847 WeakPolarHBondContact O-CA 3.39Å; I800-I848 HydrophobicContact CB-CB 4.22Å; I800-I848 PolarHBondContact N-O 3.06Å; I800-I848 PolarHBondContact O-N 3.23Å; I800-V850 HydrophobicContact CD1-CG2 4.07Å; I800-V850 HydrophobicContact CG1-CG2 3.76Å
801F98.4Very high95.3Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-91.3124.9166.2176.2-85.1000109M709 L712 I713 T716 P778 L779 L781 N803 I841 V845 L847M709-F801 HydrophobicContact SD-CD2 4.37Å; M709-F801 HydrophobicContact SD-CE2 4.34Å; L712-F801 HydrophobicContact CB-CD1 4.08Å; L712-F801 HydrophobicContact CB-CD2 3.8Å; L712-F801 HydrophobicContact CB-CE1 3.88Å; L712-F801 HydrophobicContact CB-CE2 3.57Å; L712-F801 HydrophobicContact CB-CG 4.05Å; L712-F801 HydrophobicContact CB-CZ 3.63Å; L712-F801 HydrophobicContact CD1-CB 4.23Å; L712-F801 HydrophobicContact CD1-CD2 3.57Å; L712-F801 HydrophobicContact CD1-CE2 4.1Å; L712-F801 HydrophobicContact CD1-CG 3.94Å; L712-F801 HydrophobicContact CG-CD2 4.33Å; I713-F801 HydrophobicContact CG1-CE2 4.41Å; I713-F801 HydrophobicContact CG1-CZ 3.79Å; T716-F801 HydrophobicContact CG2-CD1 3.89Å; T716-F801 HydrophobicContact CG2-CE1 3.72Å; P778-F801 CarbonylContact C-O 3.45Å; P778-F801 WeakPolarHBondContact CA-O 3.41Å; L779-F801 HydrophobicContact CB-CB 4.37Å; L779-F801 HydrophobicContact CD1-CD1 4.49Å; L779-F801 PolarHBondContact N-O 3.37Å; L779-F801 PolarHBondContact O-N 2.9Å; L781-F801 HydrophobicContact CD1-CB 3.93Å; F801-N803 HydrophobicContact CE1-CB 3.89Å; F801-N803 HydrophobicContact CZ-CB 4.46Å; F801-I841 HydrophobicContact CE2-CD1 4Å; F801-V845 HydrophobicContact CE1-CG1 4.37Å; F801-V845 HydrophobicContact CE2-CG1 3.75Å; F801-V845 HydrophobicContact CZ-CG1 3.51Å; F801-L847 HydrophobicContact CB-CD2 4.18Å; F801-L847 HydrophobicContact CD2-CD2 3.72Å; F801-L847 HydrophobicContact CG-CD2 4.42Å
802K95.9Very high95.4Very high24 Ų2427.1 Ų27.110%0.10414%0.137CC..EExtended strand (participates in β ladder)trans-126.2120.7-174.6-165.3172.4-179.8-156.90109.9P778 D805 L807 V845 G846 I848P778-K802 HydrophobicContact CB-CB 4.44Å; P778-K802 HydrophobicContact CB-CG 4.28Å; P778-K802 HydrophobicContact CG-CD 4.43Å; P778-K802 HydrophobicContact CG-CG 4.15Å; K802-D805 WeakPolarHBondContact CE-OD2 3.41Å; K802-D805 IonicContact NZ-OD2 2.7Å; K802-D805 PolarHBondContact NZ-OD2 3.44Å; K802-L807 HydrophobicContact CD-CD2 4.33Å; K802-V845 WeakPolarHBondContact O-CA 3.16Å; K802-G846 PolarHBondContact N-O 2.73Å; K802-G846 PolarHBondContact O-N 2.83Å; K802-I848 HydrophobicContact CD-CD1 4.13Å
803N93.5Very high95.4Very high14 Ų1424.9 Ų24.98%0.07513%0.126CC..EExtended strand (participates in β ladder)trans-116.8115.8176.2172.3-10.3000109.5T716 D717 K720 F801 V845T716-N803 WeakPolarHBondContact OG1-CB 3.3Å; T716-N803 PolarHBondContact OG1-ND2 2.91Å; D717-N803 PolarHBondContact OD1-ND2 3.35Å; K720-N803 PolarHBondContact NZ-O 3.49Å; K720-N803 PolarHBondContact NZ-OD1 3.48Å; F801-N803 HydrophobicContact CE1-CB 3.89Å; F801-N803 HydrophobicContact CZ-CB 4.46Å; N803-V845 HydrophobicContact CB-CG2 4Å
804G88.6Confident95.5Very high17 Ų1722.3 Ų22.318%0.17511%0.112CC..SBendtrans126.16.7170.700000116K776 C844K776-G804 PolarHBondContact NZ-O 2.91Å; G804-C844 WeakPolarHBondContact CA-O 3.43Å; G804-C844 PolarHBondContact N-O 2.76Å
805D89.9Confident95.7Very high47 Ų4721.1 Ų21.125%0.25111%0.107SC..SBendtrans-131.1142.8174.2-69.3-21.9000109.7K776 K802 L807 C844K776-D805 WeakPolarHBondContact CE-OD1 3.4Å; K776-D805 IonicContact NZ-OD1 2.69Å; K776-D805 PolarHBondContact NZ-OD1 2.96Å; K802-D805 WeakPolarHBondContact CE-OD2 3.41Å; K802-D805 IonicContact NZ-OD2 2.7Å; K802-D805 PolarHBondContact NZ-OD2 3.44Å; D805-L807 PolarHBondContact O-N 3.06Å; D805-C844 PolarHBondContact N-O 2.74Å; D805-C844 CarbonylContact O-C 3.53Å; D805-C844 VanDerWaalsContact O-CA 3.31Å; D805-C844 WeakPolarHBondContact O-CA 3.44Å
806D91.2Very high95.8Very high34 Ų3414.9 Ų14.918%0.1828%0.078CC..  trans-77.1103.9177.9-176.10.6000111.2R808D806-R808 VanDerWaalsContact C-N 3.28Å; D806-R808 PolarHBondContact O-N 3.11Å; D806-R808 VanDerWaalsContact OD1-CB 3.28Å; D806-R808 WeakPolarHBondContact OD1-CB 3.28Å; D806-R808 VanDerWaalsContact OD1-CG 3.27Å; D806-R808 WeakPolarHBondContact OD1-CG 3.27Å; D806-R808 IonicContact OD1-CZ 3.77Å; D806-R808 PolarHBondContact OD1-N 3.04Å; D806-R808 IonicContact OD1-NE 3.38Å; D806-R808 PolarHBondContact OD1-NE 3.17Å; D806-R808 IonicContact OD1-NH2 3.7Å; D806-R808 IonicContact OD2-CZ 2.73Å; D806-R808 IonicContact OD2-NE 3.17Å; D806-R808 PolarHBondContact OD2-NE 3.06Å; D806-R808 IonicContact OD2-NH2 3.65Å; D806-R808 PolarHBondContact OD2-NH2 3.17Å
807L95.4Very high95.9Very high1 Ų114.5 Ų14.51%0.0058%0.075CC..THydrogen-bonded Turntrans-79.9-2.7-178.2-61.9-167.9000114.3K802 D805 Q809 D810 M811 I848K802-L807 HydrophobicContact CD-CD2 4.33Å; D805-L807 PolarHBondContact O-N 3.06Å; L807-Q809 PolarHBondContact O-N 3.08Å; L807-D810 PolarHBondContact O-N 3.3Å; L807-M811 VanDerWaalsContact O-CG 3.3Å; L807-M811 WeakPolarHBondContact O-CG 3.34Å; L807-M811 PolarHBondContact O-N 3.29Å; L807-I848 HydrophobicContact CD1-CD1 4.28Å; L807-I848 HydrophobicContact CD1-CG1 4.01Å; L807-I848 HydrophobicContact CD2-CD1 4.23Å
808R95.4Very high95.9Very high39 Ų3918.8 Ų18.815%0.1479%0.09CC..Hα-helixtrans-63.7-32.3-179.6-64.5175.2-63.8164.29.1111.9D806 M811 L812 S1008 G1009 M1010D806-R808 VanDerWaalsContact C-N 3.28Å; D806-R808 PolarHBondContact O-N 3.11Å; D806-R808 VanDerWaalsContact OD1-CB 3.28Å; D806-R808 WeakPolarHBondContact OD1-CB 3.28Å; D806-R808 VanDerWaalsContact OD1-CG 3.27Å; D806-R808 WeakPolarHBondContact OD1-CG 3.27Å; D806-R808 IonicContact OD1-CZ 3.77Å; D806-R808 PolarHBondContact OD1-N 3.04Å; D806-R808 IonicContact OD1-NE 3.38Å; D806-R808 PolarHBondContact OD1-NE 3.17Å; D806-R808 IonicContact OD1-NH2 3.7Å; D806-R808 IonicContact OD2-CZ 2.73Å; D806-R808 IonicContact OD2-NE 3.17Å; D806-R808 PolarHBondContact OD2-NE 3.06Å; D806-R808 IonicContact OD2-NH2 3.65Å; D806-R808 PolarHBondContact OD2-NH2 3.17Å; R808-M811 PolarHBondContact O-N 2.96Å; R808-L812 PolarHBondContact O-N 2.92Å; R808-S1008 PolarHBondContact NH1-O 2.72Å; R808-G1009 PolarHBondContact NH2-O 2.92Å; R808-M1010 HydrophobicContact CB-CG 4.26Å; R808-M1010 HydrophobicContact CB-SD 4.05Å
809Q92.8Very high95.9Very high8 Ų817.5 Ų17.54%0.0378%0.084CC..Hα-helixtrans-68.8-44.9175.7-62.9-170.130.400112.5L807 M811 L812 T813 G935 F937 M1010 E1012L807-Q809 PolarHBondContact O-N 3.08Å; Q809-M811 VanDerWaalsContact C-N 3.35Å; Q809-L812 PolarHBondContact O-N 3.09Å; Q809-T813 WeakPolarHBondContact O-CB 3.46Å; Q809-T813 PolarHBondContact O-N 2.8Å; Q809-T813 PolarHBondContact O-OG1 2.94Å; Q809-G935 VanDerWaalsContact OE1-C 3.23Å; Q809-G935 PolarHBondContact OE1-O 3.17Å; Q809-F937 HydrophobicContact CB-CD1 4.23Å; Q809-F937 HydrophobicContact CB-CE1 3.77Å; Q809-F937 HydrophobicContact CG-CE1 3.94Å; Q809-F937 HydrophobicContact CG-CZ 4.43Å; Q809-M1010 HydrophobicContact CB-SD 4.46Å; Q809-M1010 HydrophobicContact CG-CG 4.25Å; Q809-M1010 HydrophobicContact CG-SD 3.79Å; Q809-E1012 PolarHBondContact NE2-OE1 3.17Å; Q809-E1012 VanDerWaalsContact OE1-CD 3.25Å; Q809-E1012 PolarHBondContact OE1-OE1 2.92Å; Q809-E1012 PolarHBondContact OE1-OE2 2.96Å
810D94.4Very high95.9Very high8 Ų817.3 Ų17.34%0.0438%0.083CC..Hα-helixtrans-61.7-43.4173.6-73.1-103.6000111L807 L812 T813 L814 F934L807-D810 PolarHBondContact O-N 3.3Å; D810-L812 PolarHBondContact O-N 3.15Å; D810-T813 PolarHBondContact O-N 3.37Å; D810-L814 VanDerWaalsContact O-CB 3.31Å; D810-L814 WeakPolarHBondContact O-CB 3.34Å; D810-L814 WeakPolarHBondContact O-CD1 3.46Å; D810-L814 VanDerWaalsContact O-CG 3.23Å; D810-L814 WeakPolarHBondContact O-CG 3.4Å; D810-L814 PolarHBondContact O-N 3.41Å; D810-F934 PolarHBondContact OD1-N 3.4Å
811M97.1Very high95.9Very high18 Ų1817.4 Ų17.49%0.0898%0.083CC..Hα-helixtrans-56-51.2175.6-75.8175.974.700112.1I633 L807 R808 Q809 L814 Q815 C838 L839 S840I633-M811 HydrophobicContact CD1-CE 3.9Å; I633-M811 HydrophobicContact CG1-CE 4.48Å; L807-M811 VanDerWaalsContact O-CG 3.3Å; L807-M811 WeakPolarHBondContact O-CG 3.34Å; L807-M811 PolarHBondContact O-N 3.29Å; R808-M811 PolarHBondContact O-N 2.96Å; Q809-M811 VanDerWaalsContact C-N 3.35Å; M811-L814 PolarHBondContact O-N 3.13Å; M811-Q815 VanDerWaalsContact O-CB 3.31Å; M811-Q815 WeakPolarHBondContact O-CB 3.45Å; M811-Q815 PolarHBondContact O-N 3.48Å; M811-C838 HydrophobicContact CG-CB 4.26Å; M811-C838 WeakPolarHBondContact CG-O 3.44Å; M811-L839 HydrophobicContact CE-CD1 3.98Å; M811-S840 VanDerWaalsContact SD-CB 3.58Å; M811-S840 PolarHBondContact SD-N 2.9Å
812L97.4Very high95.8Very high0 Ų019.3 Ų19.30%09%0.093CC..Hα-helixtrans-61.7-47178.117959.8000110.4R808 Q809 D810 L814 Q815 I816 F937 F1002 M1005 M1010 L1013R808-L812 PolarHBondContact O-N 2.92Å; Q809-L812 PolarHBondContact O-N 3.09Å; D810-L812 PolarHBondContact O-N 3.15Å; L812-L814 PolarHBondContact O-N 3.36Å; L812-Q815 WeakPolarHBondContact O-CB 3.41Å; L812-Q815 PolarHBondContact O-N 3.29Å; L812-I816 HydrophobicContact CD1-CD1 4.25Å; L812-I816 HydrophobicContact CD1-CG1 4.08Å; L812-I816 HydrophobicContact CG-CG1 4.36Å; L812-I816 VanDerWaalsContact O-CG1 3.3Å; L812-I816 WeakPolarHBondContact O-CG1 3.48Å; L812-I816 PolarHBondContact O-N 2.84Å; L812-F937 HydrophobicContact CD2-CE1 4.29Å; L812-F937 HydrophobicContact CD2-CZ 4.11Å; L812-F1002 HydrophobicContact CD2-CD1 3.93Å; L812-F1002 HydrophobicContact CD2-CE1 3.68Å; L812-F1002 HydrophobicContact CD2-CZ 4.4Å; L812-F1002 HydrophobicContact CG-CE1 4.35Å; L812-M1005 HydrophobicContact CD1-CG 4.17Å; L812-M1005 HydrophobicContact CD2-CB 4.39Å; L812-M1005 HydrophobicContact CD2-CG 4.14Å; L812-M1010 HydrophobicContact CD2-CE 3.85Å; L812-L1013 HydrophobicContact CD2-CD2 4.34Å
813T96.6Very high95.9Very high1 Ų119 Ų191%0.0069%0.093CC..Hα-helixtrans-59.3-46.2179.7-58.70000112.1Q809 D810 Q815 I816 I817 L911 I913 F934Q809-T813 WeakPolarHBondContact O-CB 3.46Å; Q809-T813 PolarHBondContact O-N 2.8Å; Q809-T813 PolarHBondContact O-OG1 2.94Å; D810-T813 PolarHBondContact O-N 3.37Å; T813-Q815 VanDerWaalsContact C-N 3.34Å; T813-Q815 PolarHBondContact O-N 3.45Å; T813-I816 PolarHBondContact O-N 3.43Å; T813-I817 HydrophobicContact CG2-CD1 3.96Å; T813-I817 VanDerWaalsContact O-CG1 3.32Å; T813-I817 WeakPolarHBondContact O-CG1 3.35Å; T813-I817 PolarHBondContact O-N 3.26Å; T813-L911 HydrophobicContact CG2-CD1 4.22Å; T813-I913 HydrophobicContact CG2-CD1 3.55Å; T813-I913 HydrophobicContact CG2-CG1 4.42Å; T813-F934 HydrophobicContact CG2-CB 3.8Å; T813-F934 HydrophobicContact CG2-CD1 3.7Å; T813-F934 HydrophobicContact CG2-CD2 4.13Å; T813-F934 HydrophobicContact CG2-CE1 4.25Å; T813-F934 HydrophobicContact CG2-CG 3.62Å
814L98.3Very high96.1Very high4 Ų418.3 Ų18.32%0.0219%0.089CC..Hα-helixtrans-64.5-38.5177.9-74.1161.1000112D810 M811 L812 I817 R818 P835 Y836 C838 F934D810-L814 VanDerWaalsContact O-CB 3.31Å; D810-L814 WeakPolarHBondContact O-CB 3.34Å; D810-L814 WeakPolarHBondContact O-CD1 3.46Å; D810-L814 VanDerWaalsContact O-CG 3.23Å; D810-L814 WeakPolarHBondContact O-CG 3.4Å; D810-L814 PolarHBondContact O-N 3.41Å; M811-L814 PolarHBondContact O-N 3.13Å; L812-L814 PolarHBondContact O-N 3.36Å; L814-I817 PolarHBondContact O-N 3.44Å; L814-R818 PolarHBondContact O-N 2.9Å; L814-P835 HydrophobicContact CD2-CB 4.39Å; L814-P835 WeakPolarHBondContact O-CB 3.46Å; L814-Y836 HydrophobicContact CD1-CD2 4Å; L814-Y836 HydrophobicContact CD1-CE2 3.65Å; L814-Y836 HydrophobicContact CD2-CD1 3.88Å; L814-Y836 HydrophobicContact CD2-CD2 4.27Å; L814-Y836 HydrophobicContact CD2-CE1 3.72Å; L814-Y836 HydrophobicContact CD2-CE2 4.15Å; L814-Y836 HydrophobicContact CD2-CG 4.14Å; L814-C838 HydrophobicContact CD1-CB 3.36Å; L814-F934 HydrophobicContact CD2-CD2 4.3Å; L814-F934 HydrophobicContact CD2-CE2 3.67Å; L814-F934 HydrophobicContact CG-CD2 4.13Å; L814-F934 HydrophobicContact CG-CE2 4Å
815Q98.4Very high96.3Very high13 Ų1318 Ų186%0.0618%0.083CC..Hα-helixtrans-62.2-48.6172.9-177.4-165.529.900110.8Q630 M811 L812 T813 I817 R818 I819Q630-Q815 PolarHBondContact O-NE2 3.38Å; M811-Q815 VanDerWaalsContact O-CB 3.31Å; M811-Q815 WeakPolarHBondContact O-CB 3.45Å; M811-Q815 PolarHBondContact O-N 3.48Å; L812-Q815 WeakPolarHBondContact O-CB 3.41Å; L812-Q815 PolarHBondContact O-N 3.29Å; T813-Q815 VanDerWaalsContact C-N 3.34Å; T813-Q815 PolarHBondContact O-N 3.45Å; Q815-I817 VanDerWaalsContact C-N 3.34Å; Q815-I817 PolarHBondContact O-N 2.67Å; Q815-R818 WeakPolarHBondContact O-CB 3.37Å; Q815-R818 PolarHBondContact O-N 3.2Å; Q815-R818 VanDerWaalsContact O-N 3.15Å; Q815-I819 HydrophobicContact CG-CD1 4.2Å; Q815-I819 VanDerWaalsContact O-CG1 3.29Å; Q815-I819 WeakPolarHBondContact O-CG1 3.26Å; Q815-I819 PolarHBondContact O-N 3.46Å
816I98.4Very high96.4Very high0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-60.8-42.8177.5-64.1-54.8000111.1L812 T813 R818 I819 M820 L911 F998 L1001 F1002L812-I816 HydrophobicContact CD1-CD1 4.25Å; L812-I816 HydrophobicContact CD1-CG1 4.08Å; L812-I816 HydrophobicContact CG-CG1 4.36Å; L812-I816 VanDerWaalsContact O-CG1 3.3Å; L812-I816 WeakPolarHBondContact O-CG1 3.48Å; L812-I816 PolarHBondContact O-N 2.84Å; T813-I816 PolarHBondContact O-N 3.43Å; I816-R818 VanDerWaalsContact C-N 3.31Å; I816-R818 PolarHBondContact O-N 2.84Å; I816-I819 HydrophobicContact CD1-CD1 4.36Å; I816-I819 WeakPolarHBondContact O-CB 3.26Å; I816-I819 PolarHBondContact O-N 2.74Å; I816-I819 VanDerWaalsContact O-N 3.12Å; I816-M820 HydrophobicContact CG2-CE 3.8Å; I816-M820 HydrophobicContact CG2-CG 4.39Å; I816-M820 HydrophobicContact CG2-SD 4.37Å; I816-M820 WeakPolarHBondContact O-CG 3.33Å; I816-M820 PolarHBondContact O-N 2.94Å; I816-L911 HydrophobicContact CB-CD1 4.46Å; I816-L911 HydrophobicContact CG2-CD1 3.99Å; I816-L911 HydrophobicContact CG2-CD2 3.85Å; I816-L911 HydrophobicContact CG2-CG 4.48Å; I816-F998 HydrophobicContact CD1-CD1 4.2Å; I816-F998 HydrophobicContact CG2-CD1 3.74Å; I816-F998 HydrophobicContact CG2-CE1 3.75Å; I816-L1001 HydrophobicContact CD1-CB 4.08Å; I816-L1001 HydrophobicContact CD1-CD1 3.74Å; I816-F1002 HydrophobicContact CD1-CE2 4.27Å; I816-F1002 HydrophobicContact CG1-CE2 4.08Å; I816-F1002 HydrophobicContact CG1-CZ 4.21Å
817I98.4Very high96.5Very high1 Ų122.9 Ų22.91%0.00511%0.106CC..Hα-helixtrans-58.4-42.4174.7-73.8168.4000111.4T813 L814 Q815 I819 M820 E821 M833 P835 Y904 A907 F934T813-I817 HydrophobicContact CG2-CD1 3.96Å; T813-I817 VanDerWaalsContact O-CG1 3.32Å; T813-I817 WeakPolarHBondContact O-CG1 3.35Å; T813-I817 PolarHBondContact O-N 3.26Å; L814-I817 PolarHBondContact O-N 3.44Å; Q815-I817 VanDerWaalsContact C-N 3.34Å; Q815-I817 PolarHBondContact O-N 2.67Å; I817-I819 VanDerWaalsContact C-N 3.33Å; I817-I819 PolarHBondContact O-N 3.48Å; I817-M820 PolarHBondContact O-N 2.64Å; I817-E821 PolarHBondContact O-N 3.08Å; I817-M833 HydrophobicContact CG2-CB 3.64Å; I817-M833 HydrophobicContact CG2-CE 3.63Å; I817-M833 HydrophobicContact CG2-CG 4.03Å; I817-P835 HydrophobicContact CG2-CB 4.2Å; I817-Y904 HydrophobicContact CD1-CE1 4.16Å; I817-A907 HydrophobicContact CG1-CB 4.5Å; I817-F934 HydrophobicContact CD1-CE1 3.95Å; I817-F934 HydrophobicContact CD1-CE2 4.28Å; I817-F934 HydrophobicContact CD1-CZ 3.68Å
818R98.4Very high96.4Very high107 Ų10724.7 Ų24.740%0.40413%0.125SC..Hα-helixtrans-62.5-39.9175.6-171.3-179.4-63.1162.51.9111.9L814 Q815 I816 E821 N822 P835L814-R818 PolarHBondContact O-N 2.9Å; Q815-R818 WeakPolarHBondContact O-CB 3.37Å; Q815-R818 PolarHBondContact O-N 3.2Å; Q815-R818 VanDerWaalsContact O-N 3.15Å; I816-R818 VanDerWaalsContact C-N 3.31Å; I816-R818 PolarHBondContact O-N 2.84Å; R818-E821 PolarHBondContact O-N 3.06Å; R818-N822 VanDerWaalsContact O-CG 3.28Å; R818-N822 PolarHBondContact O-N 2.99Å; R818-P835 HydrophobicContact CB-CB 3.91Å; R818-P835 HydrophobicContact CB-CG 3.8Å; R818-P835 HydrophobicContact CG-CG 4.05Å; R818-P835 PolarHBondContact NH2-O 3.09Å
819I98.4Very high96.4Very high2 Ų224.4 Ų24.41%0.0113%0.126CC..Hα-helixtrans-66.6-44.3177.3-63.1170.8000110.6Q630 Y631 Q815 I816 I817 N822 I823 L997 F998 L1001Q630-I819 HydrophobicContact CG-CG1 4.26Å; Y631-I819 HydrophobicContact CD1-CD1 4.4Å; Y631-I819 HydrophobicContact CE1-CD1 3.89Å; Q815-I819 HydrophobicContact CG-CD1 4.2Å; Q815-I819 VanDerWaalsContact O-CG1 3.29Å; Q815-I819 WeakPolarHBondContact O-CG1 3.26Å; Q815-I819 PolarHBondContact O-N 3.46Å; I816-I819 HydrophobicContact CD1-CD1 4.36Å; I816-I819 WeakPolarHBondContact O-CB 3.26Å; I816-I819 PolarHBondContact O-N 2.74Å; I816-I819 VanDerWaalsContact O-N 3.12Å; I817-I819 VanDerWaalsContact C-N 3.33Å; I817-I819 PolarHBondContact O-N 3.48Å; I819-N822 PolarHBondContact O-N 2.92Å; I819-I823 HydrophobicContact CG2-CD1 4.02Å; I819-I823 WeakPolarHBondContact O-CG1 3.29Å; I819-I823 PolarHBondContact O-N 3.16Å; I819-L997 HydrophobicContact CG2-CD2 3.92Å; I819-F998 HydrophobicContact CB-CE1 4.32Å; I819-F998 HydrophobicContact CG2-CE1 3.95Å; I819-F998 HydrophobicContact CG2-CZ 4.07Å; I819-L1001 HydrophobicContact CD1-CD1 3.44Å; I819-L1001 VanDerWaalsContact CD1-CD1 3.44Å
820M98.6Very high96.5Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-58.3-47.2175-70.3-178.9172.700111.4I816 I817 N822 I823 W824 A907 I910 L911 I991 F998I816-M820 HydrophobicContact CG2-CE 3.8Å; I816-M820 HydrophobicContact CG2-CG 4.39Å; I816-M820 HydrophobicContact CG2-SD 4.37Å; I816-M820 WeakPolarHBondContact O-CG 3.33Å; I816-M820 PolarHBondContact O-N 2.94Å; I817-M820 PolarHBondContact O-N 2.64Å; M820-N822 PolarHBondContact O-N 3.33Å; M820-I823 PolarHBondContact O-N 2.89Å; M820-W824 HydrophobicContact CB-CE3 4.34Å; M820-W824 HydrophobicContact CB-CH2 3.87Å; M820-W824 HydrophobicContact CB-CZ2 4.09Å; M820-W824 HydrophobicContact CB-CZ3 3.99Å; M820-W824 VanDerWaalsContact O-CD2 3.27Å; M820-W824 VanDerWaalsContact O-CG 3.32Å; M820-W824 PolarHBondContact O-N 2.6Å; M820-W824 HydrophobicContact SD-CH2 4.29Å; M820-A907 HydrophobicContact SD-CB 3.69Å; M820-I910 HydrophobicContact CE-CB 4.4Å; M820-I910 HydrophobicContact CE-CG2 4.12Å; M820-L911 HydrophobicContact CE-CD1 4.31Å; M820-L911 HydrophobicContact CE-CD2 4.12Å; M820-L911 HydrophobicContact CE-CG 4.07Å; M820-I991 HydrophobicContact CB-CD1 3.83Å; M820-I991 HydrophobicContact CE-CG2 4.15Å; M820-I991 HydrophobicContact CG-CD1 3.69Å; M820-I991 HydrophobicContact CG-CG1 4.2Å; M820-F998 HydrophobicContact CE-CD1 4.49Å; M820-F998 HydrophobicContact CE-CE1 4.16Å; M820-F998 HydrophobicContact CE-CZ 4.48Å; M820-F998 HydrophobicContact CG-CE1 3.74Å; M820-F998 HydrophobicContact CG-CZ 3.7Å
821E98.1Very high96.6Very high27 Ų2724.5 Ų24.513%0.12613%0.127CC..Hα-helixtrans-56.8-48.5175.1-178.5170.2-142.700111.6I817 R818 I823 W824 Q825 M833I817-E821 PolarHBondContact O-N 3.08Å; R818-E821 PolarHBondContact O-N 3.06Å; E821-I823 VanDerWaalsContact C-N 3.31Å; E821-I823 PolarHBondContact O-N 2.94Å; E821-W824 PolarHBondContact O-N 3.44Å; E821-Q825 HydrophobicContact CG-CG 4.02Å; E821-Q825 WeakPolarHBondContact O-CB 3.32Å; E821-Q825 WeakPolarHBondContact O-CG 3.37Å; E821-Q825 PolarHBondContact O-N 3.01Å; E821-M833 HydrophobicContact CB-CB 3.98Å; E821-M833 HydrophobicContact CB-CG 3.76Å; E821-M833 HydrophobicContact CG-CB 4.24Å; E821-M833 HydrophobicContact CG-CG 4.21Å; E821-M833 PolarHBondContact OE1-N 2.73Å
822N96.4Very high96.5Very high41 Ų4125.2 Ų25.222%0.21913%0.129CC..Hα-helixtrans-60.6-39.4179-73.5-13000112.3R818 I819 M820 N826R818-N822 VanDerWaalsContact O-CG 3.28Å; R818-N822 PolarHBondContact O-N 2.99Å; I819-N822 PolarHBondContact O-N 2.92Å; M820-N822 PolarHBondContact O-N 3.33Å; N822-N826 WeakPolarHBondContact O-CB 3.2Å; N822-N826 PolarHBondContact O-N 3.07Å; N822-N826 PolarHBondContact O-ND2 3.16Å
823I97.4Very high96.5Very high17 Ų1725.5 Ų25.59%0.08713%0.13CC..Hα-helixtrans-63.9-49.9175.6-70.5164.3000110.4I819 M820 E821 Q825 N826 Q827 I991 H994 F998I819-I823 HydrophobicContact CG2-CD1 4.02Å; I819-I823 WeakPolarHBondContact O-CG1 3.29Å; I819-I823 PolarHBondContact O-N 3.16Å; M820-I823 PolarHBondContact O-N 2.89Å; E821-I823 VanDerWaalsContact C-N 3.31Å; E821-I823 PolarHBondContact O-N 2.94Å; I823-Q825 PolarHBondContact O-N 3.3Å; I823-N826 PolarHBondContact O-N 3.34Å; I823-Q827 WeakPolarHBondContact O-CG 3.46Å; I823-Q827 PolarHBondContact O-N 3.49Å; I823-I991 HydrophobicContact CB-CD1 4.45Å; I823-I991 HydrophobicContact CD1-CD1 4.46Å; I823-I991 HydrophobicContact CG2-CD1 4.33Å; I823-H994 HydrophobicContact CD1-CB 3.86Å; I823-F998 HydrophobicContact CD1-CE2 3.87Å; I823-F998 HydrophobicContact CD1-CZ 3.68Å
824W97.9Very high96.6Very high0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-60.8-46.9179.4-65.5-32.8000112.3M820 E821 N826 Q827 G828 L829 L831 M833 G903 V906 A907 A987 I991M820-W824 HydrophobicContact CB-CE3 4.34Å; M820-W824 HydrophobicContact CB-CH2 3.87Å; M820-W824 HydrophobicContact CB-CZ2 4.09Å; M820-W824 HydrophobicContact CB-CZ3 3.99Å; M820-W824 VanDerWaalsContact O-CD2 3.27Å; M820-W824 VanDerWaalsContact O-CG 3.32Å; M820-W824 PolarHBondContact O-N 2.6Å; M820-W824 HydrophobicContact SD-CH2 4.29Å; E821-W824 PolarHBondContact O-N 3.44Å; W824-N826 PolarHBondContact O-N 3.47Å; W824-Q827 CarbonylContact O-C 3.09Å; W824-Q827 PolarHBondContact O-N 3.29Å; W824-Q827 VanDerWaalsContact O-N 3.15Å; W824-G828 PolarHBondContact O-N 2.94Å; W824-L829 CarbonylContact C-O 3.5Å; W824-L829 VanDerWaalsContact C-O 3.29Å; W824-L829 HydrophobicContact CB-CB 4.07Å; W824-L829 WeakPolarHBondContact O-CA 3.43Å; W824-L829 WeakPolarHBondContact O-CB 3.43Å; W824-L829 PolarHBondContact O-N 2.83Å; W824-L831 HydrophobicContact CB-CD1 4.34Å; W824-L831 HydrophobicContact CD2-CB 4.41Å; W824-L831 HydrophobicContact CD2-CD1 3.82Å; W824-L831 HydrophobicContact CE3-CB 3.87Å; W824-L831 HydrophobicContact CE3-CD1 4Å; W824-L831 HydrophobicContact CG-CD1 3.98Å; W824-L831 HydrophobicContact CZ3-CB 4.5Å; W824-M833 HydrophobicContact CE3-CG 4.35Å; W824-M833 HydrophobicContact CZ3-CE 4.31Å; W824-M833 HydrophobicContact CZ3-CG 3.86Å; W824-M833 HydrophobicContact CZ3-SD 3.75Å; W824-G903 WeakPolarHBondContact CH2-O 3.42Å; W824-V906 HydrophobicContact CZ2-CB 4.35Å; W824-V906 HydrophobicContact CZ2-CG1 3.99Å; W824-A907 HydrophobicContact CH2-CB 4.34Å; W824-A987 HydrophobicContact CZ2-CB 4.08Å; W824-A987 PolarHBondContact NE1-O 3.34Å; W824-I991 HydrophobicContact CZ2-CD1 3.92Å; W824-I991 HydrophobicContact CZ2-CG1 3.63Å
825Q94.3Very high96.5Very high10 Ų1027.5 Ų27.55%0.04714%0.142CC..Hα-helixtrans-60.6-44.5178.4-67.9-72.1-18.600110.9P178 H180 M278 E821 I823 Q827 G828 L829 D830P178-Q825 WeakPolarHBondContact CB-O 3.3Å; H180-Q825 PolarHBondContact CE1-O 3.29Å; H180-Q825 VanDerWaalsContact CE1-O 3.23Å; H180-Q825 PolarHBondContact CE1-OE1 3.32Å; H180-Q825 PolarHBondContact NE2-OE1 2.88Å; M278-Q825 HydrophobicContact CE-CG 4.32Å; E821-Q825 HydrophobicContact CG-CG 4.02Å; E821-Q825 WeakPolarHBondContact O-CB 3.32Å; E821-Q825 WeakPolarHBondContact O-CG 3.37Å; E821-Q825 PolarHBondContact O-N 3.01Å; I823-Q825 PolarHBondContact O-N 3.3Å; Q825-Q827 VanDerWaalsContact C-N 3.26Å; Q825-Q827 PolarHBondContact O-N 3.12Å; Q825-G828 PolarHBondContact O-N 3.06Å; Q825-L829 PolarHBondContact N-O 2.94Å; Q825-D830 PolarHBondContact NE2-OD1 3.46Å
826N91.8Very high96.5Very high97 Ų9727.3 Ų27.352%0.51914%0.14SC..Hα-helixtrans-66.2-27.6178.1-70.9-29.1000113.2N822 I823 W824 G828N822-N826 WeakPolarHBondContact O-CB 3.2Å; N822-N826 PolarHBondContact O-N 3.07Å; N822-N826 PolarHBondContact O-ND2 3.16Å; I823-N826 PolarHBondContact O-N 3.34Å; W824-N826 PolarHBondContact O-N 3.47Å; N826-G828 VanDerWaalsContact C-N 3.28Å
827Q93.3Very high96.4Very high87 Ų8728 Ų2841%0.40715%0.147SC..THydrogen-bonded Turntrans-85.14.2172.9-66.4-171.610.600113.8I823 W824 Q825 H994I823-Q827 WeakPolarHBondContact O-CG 3.46Å; I823-Q827 PolarHBondContact O-N 3.49Å; W824-Q827 CarbonylContact O-C 3.09Å; W824-Q827 PolarHBondContact O-N 3.29Å; W824-Q827 VanDerWaalsContact O-N 3.15Å; Q825-Q827 VanDerWaalsContact C-N 3.26Å; Q825-Q827 PolarHBondContact O-N 3.12Å; Q827-H994 PolarHBondContact NE2-NE2 3.23Å
828G93Very high96.4Very high38 Ų3828.8 Ų28.839%0.39215%0.153SC..THydrogen-bonded Turntrans83.612.9177.600000115W824 Q825 N826W824-G828 PolarHBondContact O-N 2.94Å; Q825-G828 PolarHBondContact O-N 3.06Å; N826-G828 VanDerWaalsContact C-N 3.28Å
829L94.3Very high96.5Very high33 Ų3323.8 Ų23.817%0.17313%0.134CC..  trans-94.8103.3173.3-61.3174.1000109.4W824 Q825 L831 K986W824-L829 CarbonylContact C-O 3.5Å; W824-L829 VanDerWaalsContact C-O 3.29Å; W824-L829 HydrophobicContact CB-CB 4.07Å; W824-L829 WeakPolarHBondContact O-CA 3.43Å; W824-L829 WeakPolarHBondContact O-CB 3.43Å; W824-L829 PolarHBondContact O-N 2.83Å; Q825-L829 PolarHBondContact N-O 2.94Å; L829-L831 VanDerWaalsContact C-N 3.27Å; L829-L831 HydrophobicContact CB-CD1 4.32Å; L829-L831 HydrophobicContact CB-CG 4.24Å; L829-L831 PolarHBondContact O-N 3.02Å; L829-K986 HydrophobicContact CD1-CB 3.89Å; L829-K986 HydrophobicContact CD2-CB 4.08Å; L829-K986 HydrophobicContact CD2-CD 4.17Å
830D95.5Very high96.4Very high16 Ų1623.8 Ų23.89%0.08613%0.134CC..  trans-7680.4174.4-168.710.2000110.2Q825 R832 R899Q825-D830 PolarHBondContact NE2-OD1 3.46Å; D830-R832 WeakPolarHBondContact OD1-CG 3.32Å; D830-R832 IonicContact OD1-NE 2.83Å; D830-R899 WeakPolarHBondContact O-CB 3.36Å; D830-R899 WeakPolarHBondContact O-CD 3.28Å; D830-R899 WeakPolarHBondContact O-CG 3.36Å; D830-R899 PolarHBondContact O-NH1 3.24Å; D830-R899 VanDerWaalsContact O-NH1 3.08Å
831L96.8Very high96.4Very high2 Ų224.3 Ų24.31%0.0114%0.137CC..  trans-10998.5173.8-58.2177.5000107.7W824 L829 M833 R899 A902 M983 A987W824-L831 HydrophobicContact CB-CD1 4.34Å; W824-L831 HydrophobicContact CD2-CB 4.41Å; W824-L831 HydrophobicContact CD2-CD1 3.82Å; W824-L831 HydrophobicContact CE3-CB 3.87Å; W824-L831 HydrophobicContact CE3-CD1 4Å; W824-L831 HydrophobicContact CG-CD1 3.98Å; W824-L831 HydrophobicContact CZ3-CB 4.5Å; L829-L831 VanDerWaalsContact C-N 3.27Å; L829-L831 HydrophobicContact CB-CD1 4.32Å; L829-L831 HydrophobicContact CB-CG 4.24Å; L829-L831 PolarHBondContact O-N 3.02Å; L831-M833 PolarHBondContact O-N 3.36Å; L831-R899 HydrophobicContact CD2-CB 4.39Å; L831-R899 WeakPolarHBondContact CD2-O 3.47Å; L831-A902 HydrophobicContact CD2-CB 4.2Å; L831-M983 HydrophobicContact CD2-CB 4.25Å; L831-M983 HydrophobicContact CD2-CG 4.47Å; L831-M983 HydrophobicContact CD2-SD 4.14Å; L831-A987 HydrophobicContact CD1-CB 3.47Å; L831-A987 VanDerWaalsContact CD1-CB 3.47Å
832R94.9Very high96.2Very high34 Ų3423.7 Ų23.713%0.12814%0.138CC..  trans-79.4111.4-174.3-65.6-158.7-162.4168.9-3.7111.2M278 D830 L896 S900M278-R832 PolarHBondContact O-NH2 2.91Å; D830-R832 WeakPolarHBondContact OD1-CG 3.32Å; D830-R832 IonicContact OD1-NE 2.83Å; R832-L896 HydrophobicContact CB-CD1 4Å; R832-L896 HydrophobicContact CG-CD1 4.03Å; R832-S900 WeakPolarHBondContact O-CA 3.49Å; R832-S900 WeakPolarHBondContact O-CB 3.19Å
833M97.7Very high96.1Very high5 Ų526.3 Ų26.33%0.02515%0.152CC..  trans-90173.7170.3-54.6-55.7-77.400109.4I817 E821 W824 L831 Y904 A907 Q928I817-M833 HydrophobicContact CG2-CB 3.64Å; I817-M833 HydrophobicContact CG2-CE 3.63Å; I817-M833 HydrophobicContact CG2-CG 4.03Å; E821-M833 HydrophobicContact CB-CB 3.98Å; E821-M833 HydrophobicContact CB-CG 3.76Å; E821-M833 HydrophobicContact CG-CB 4.24Å; E821-M833 HydrophobicContact CG-CG 4.21Å; E821-M833 PolarHBondContact OE1-N 2.73Å; W824-M833 HydrophobicContact CE3-CG 4.35Å; W824-M833 HydrophobicContact CZ3-CE 4.31Å; W824-M833 HydrophobicContact CZ3-CG 3.86Å; W824-M833 HydrophobicContact CZ3-SD 3.75Å; L831-M833 PolarHBondContact O-N 3.36Å; M833-Y904 HydrophobicContact CE-CD1 3.63Å; M833-Y904 HydrophobicContact CE-CD2 3.68Å; M833-Y904 HydrophobicContact CE-CE1 3.68Å; M833-Y904 HydrophobicContact CE-CE2 3.72Å; M833-Y904 HydrophobicContact CE-CG 3.62Å; M833-Y904 HydrophobicContact SD-CD2 3.92Å; M833-Y904 HydrophobicContact SD-CE2 3.97Å; M833-Y904 HydrophobicContact SD-CG 4.38Å; M833-A907 HydrophobicContact CE-CB 4.08Å; M833-Q928 PolarHBondContact O-NE2 3.12Å
834L97.4Very high96Very high25 Ų2527.5 Ų27.513%0.13116%0.161CC..  trans-138.873.7174.6-156.4165.9000109Y836 V851 Y904 K924 F930L834-Y836 HydrophobicContact CD2-CD1 4.29Å; L834-Y836 WeakPolarHBondContact O-CD1 3.43Å; L834-Y836 PolarHBondContact O-N 3Å; L834-V851 HydrophobicContact CD1-CG1 3.68Å; L834-V851 HydrophobicContact CD1-CG2 4.37Å; L834-V851 HydrophobicContact CD2-CG1 4.3Å; L834-V851 HydrophobicContact CD2-CG2 3.52Å; L834-Y904 PolarHBondContact N-OH 3.38Å; L834-Y904 PolarHBondContact O-OH 3.36Å; L834-K924 HydrophobicContact CD1-CD 3.59Å; L834-F930 HydrophobicContact CB-CB 3.76Å; L834-F930 HydrophobicContact CB-CG 4.12Å; L834-F930 HydrophobicContact CD1-CB 4.49Å; L834-F930 HydrophobicContact CD1-CD1 3.92Å; L834-F930 HydrophobicContact CD1-CE1 4.26Å; L834-F930 HydrophobicContact CD1-CG 4.07Å
835P97.3Very high95.9Very high23 Ų2327.9 Ų27.915%0.14916%0.164CC..  trans-77.873.7177.233.2-34.9000110.3L814 I817 R818L814-P835 HydrophobicContact CD2-CB 4.39Å; L814-P835 WeakPolarHBondContact O-CB 3.46Å; I817-P835 HydrophobicContact CG2-CB 4.2Å; R818-P835 HydrophobicContact CB-CB 3.91Å; R818-P835 HydrophobicContact CB-CG 3.8Å; R818-P835 HydrophobicContact CG-CG 4.05Å; R818-P835 PolarHBondContact NH2-O 3.09Å
836Y97.9Very high96.1Very high8 Ų827.4 Ų27.43%0.03116%0.162CC..  trans-54152.7178.356.6-93.9000111.7L814 L834 C838 I848 V851 F930 H931 I932 F934L814-Y836 HydrophobicContact CD1-CD2 4Å; L814-Y836 HydrophobicContact CD1-CE2 3.65Å; L814-Y836 HydrophobicContact CD2-CD1 3.88Å; L814-Y836 HydrophobicContact CD2-CD2 4.27Å; L814-Y836 HydrophobicContact CD2-CE1 3.72Å; L814-Y836 HydrophobicContact CD2-CE2 4.15Å; L814-Y836 HydrophobicContact CD2-CG 4.14Å; L834-Y836 HydrophobicContact CD2-CD1 4.29Å; L834-Y836 WeakPolarHBondContact O-CD1 3.43Å; L834-Y836 PolarHBondContact O-N 3Å; Y836-C838 PolarHBondContact O-N 3.23Å; Y836-I848 HydrophobicContact CD2-CG2 3.76Å; Y836-I848 HydrophobicContact CE2-CG2 3.6Å; Y836-V851 HydrophobicContact CG-CG2 4.48Å; Y836-F930 HydrophobicContact CD1-CD2 4.42Å; Y836-H931 WeakPolarHBondContact CE1-O 3.31Å; Y836-I932 HydrophobicContact CE1-CB 4.49Å; Y836-I932 HydrophobicContact CE1-CG2 3.81Å; Y836-I932 WeakPolarHBondContact OH-CA 3.2Å; Y836-F934 HydrophobicContact CE1-CE2 4.01Å; Y836-F934 WeakPolarHBondContact OH-CE2 3.32Å
837G97.7Very high96.4Very high14 Ų1423 Ų2314%0.14414%0.138CC..  trans-60.1129.4178.300000111.8I848 E849G837-I848 CarbonylContact O-C 3.52Å; G837-I848 WeakPolarHBondContact O-CA 3.36Å; G837-E849 PolarHBondContact N-OE2 3.16Å; G837-E849 WeakPolarHBondContact O-CB 3.26Å; G837-E849 PolarHBondContact O-N 3.02Å
838C98.4Very high96.6Very high19 Ų1920 Ų2013%0.12812%0.124CC..EExtended strand (participates in β ladder)trans-139.2133.6170.6-175.40000107.9M811 L814 Y836 L847M811-C838 HydrophobicContact CG-CB 4.26Å; M811-C838 WeakPolarHBondContact CG-O 3.44Å; L814-C838 HydrophobicContact CD1-CB 3.36Å; Y836-C838 PolarHBondContact O-N 3.23Å; C838-L847 CarbonylContact C-O 3.03Å; C838-L847 WeakPolarHBondContact CA-O 3.46Å
839L98.6Very high96.9Very high2 Ų222.3 Ų22.31%0.0113%0.125CC..EExtended strand (participates in β ladder)trans-142.7117.3-179.3-179.264.7000110.3W669 P754 L755 M811 I841 G846 L847W669-L839 HydrophobicContact CB-CD1 4.15Å; W669-L839 HydrophobicContact CB-CD2 4.12Å; W669-L839 HydrophobicContact CD2-CD2 4.41Å; W669-L839 HydrophobicContact CG-CD2 4Å; P754-L839 HydrophobicContact CB-CD2 3.9Å; P754-L839 VanDerWaalsContact O-CD2 3.3Å; P754-L839 WeakPolarHBondContact O-CD2 3.48Å; L755-L839 HydrophobicContact CD2-CB 3.75Å; M811-L839 HydrophobicContact CE-CD1 3.98Å; L839-I841 HydrophobicContact CD2-CG2 4.12Å; L839-I841 HydrophobicContact CG-CG2 4.03Å; L839-G846 CarbonylContact O-C 3.58Å; L839-G846 WeakPolarHBondContact O-CA 3.47Å; L839-L847 PolarHBondContact N-O 3.37Å; L839-L847 PolarHBondContact O-N 2.78Å
840S98.1Very high97Very high1 Ų121.5 Ų21.51%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-71.9132.1163.1-176.50000109.1S673 M811 G842S673-S840 WeakPolarHBondContact CB-O 3.31Å; M811-S840 VanDerWaalsContact SD-CB 3.58Å; M811-S840 PolarHBondContact SD-N 2.9Å; S840-G842 PolarHBondContact OG-O 2.86Å
841I97.3Very high97.1Very high11 Ų1121.7 Ų21.76%0.05612%0.123CC..EExtended strand (participates in β ladder)trans-118.1-4.5-178.767.3-178.6000112.4W669 M709 F801 L839 V845 L847W669-I841 HydrophobicContact CD2-CG2 4.41Å; W669-I841 HydrophobicContact CE3-CB 3.82Å; W669-I841 HydrophobicContact CE3-CG2 3.76Å; W669-I841 HydrophobicContact CZ3-CB 3.63Å; W669-I841 HydrophobicContact CZ3-CG2 3.85Å; M709-I841 HydrophobicContact CB-CD1 3.87Å; M709-I841 HydrophobicContact CG-CD1 3.64Å; M709-I841 HydrophobicContact SD-CD1 3.46Å; M709-I841 WeakPolarHBondContact SD-CD1 3.27Å; F801-I841 HydrophobicContact CE2-CD1 4Å; L839-I841 HydrophobicContact CD2-CG2 4.12Å; L839-I841 HydrophobicContact CG-CG2 4.03Å; I841-V845 HydrophobicContact CD1-CG1 3.84Å; I841-V845 HydrophobicContact CG1-CB 4.32Å; I841-V845 HydrophobicContact CG1-CG1 3.83Å; I841-V845 PolarHBondContact N-O 2.98Å; I841-L847 HydrophobicContact CG2-CD1 4.5Å; I841-L847 HydrophobicContact CG2-CG 4.5Å
842G94.9Very high97Very high15 Ų1526.5 Ų26.516%0.15514%0.141CC..EExtended strand (participates in β ladder)trans-178.4-166.9-175.900000112.2S673 S840 C844 V845S673-G842 CarbonylContact O-C 3.53Å; S673-G842 WeakPolarHBondContact O-CA 3.46Å; S840-G842 PolarHBondContact OG-O 2.86Å; G842-C844 PolarHBondContact O-N 2.86Å; G842-V845 PolarHBondContact N-O 2.85Å
843D94.3Very high97Very high95 Ų9530.3 Ų30.351%0.50816%0.164SC..THydrogen-bonded Turntrans-66.2112.5175.6-171.63.3000110.9H676 V845H676-D843 HydrophobicContact CB-CB 4.16Å; H676-D843 IonicContact CD2-OD2 3.56Å; H676-D843 IonicContact NE2-OD1 3.93Å; D843-V845 WeakPolarHBondContact O-CG2 3.4Å; D843-V845 PolarHBondContact O-N 2.83Å
844C94.7Very high96.9Very high42 Ų4231 Ų3128%0.28417%0.17SC..THydrogen-bonded Turntrans51.530.2179.3-58.70000114.6G804 D805 G842G804-C844 WeakPolarHBondContact CA-O 3.43Å; G804-C844 PolarHBondContact N-O 2.76Å; D805-C844 PolarHBondContact N-O 2.74Å; D805-C844 CarbonylContact O-C 3.53Å; D805-C844 VanDerWaalsContact O-CA 3.31Å; D805-C844 WeakPolarHBondContact O-CA 3.44Å; G842-C844 PolarHBondContact O-N 2.86Å
845V95.8Very high96.8Very high8 Ų831.6 Ų31.65%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-132.2139.2178.6178.90000109.9I713 F801 K802 N803 I841 G842 D843I713-V845 HydrophobicContact CD1-CG1 4.4Å; I713-V845 HydrophobicContact CG1-CG1 4.03Å; F801-V845 HydrophobicContact CE1-CG1 4.37Å; F801-V845 HydrophobicContact CE2-CG1 3.75Å; F801-V845 HydrophobicContact CZ-CG1 3.51Å; K802-V845 WeakPolarHBondContact O-CA 3.16Å; N803-V845 HydrophobicContact CB-CG2 4Å; I841-V845 HydrophobicContact CD1-CG1 3.84Å; I841-V845 HydrophobicContact CG1-CB 4.32Å; I841-V845 HydrophobicContact CG1-CG1 3.83Å; I841-V845 PolarHBondContact N-O 2.98Å; G842-V845 PolarHBondContact N-O 2.85Å; D843-V845 WeakPolarHBondContact O-CG2 3.4Å; D843-V845 PolarHBondContact O-N 2.83Å
846G97.7Very high96.6Very high0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-174.7-169.7172.200000115.8K802 L839K802-G846 PolarHBondContact N-O 2.73Å; K802-G846 PolarHBondContact O-N 2.83Å; L839-G846 CarbonylContact O-C 3.58Å; L839-G846 WeakPolarHBondContact O-CA 3.47Å
847L98.6Very high96.3Very high4 Ų431.1 Ų31.12%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-119.7141.7-172.5-58.7174.9000110.2M709 P754 L755 I799 I800 F801 C838 L839 I841M709-L847 HydrophobicContact SD-CD1 4Å; M709-L847 HydrophobicContact SD-CD2 3.93Å; M709-L847 HydrophobicContact SD-CG 4.25Å; P754-L847 HydrophobicContact CB-CD1 3.71Å; P754-L847 HydrophobicContact CG-CD1 3.77Å; L755-L847 HydrophobicContact CD1-CB 4.06Å; L755-L847 HydrophobicContact CD2-CB 4Å; L755-L847 HydrophobicContact CG-CB 3.9Å; L755-L847 HydrophobicContact CG-CD1 4.39Å; I799-L847 HydrophobicContact CG2-CB 3.98Å; I799-L847 HydrophobicContact CG2-CD2 3.98Å; I799-L847 HydrophobicContact CG2-CG 4.46Å; I800-L847 CarbonylContact O-C 3.59Å; I800-L847 WeakPolarHBondContact O-CA 3.39Å; F801-L847 HydrophobicContact CB-CD2 4.18Å; F801-L847 HydrophobicContact CD2-CD2 3.72Å; F801-L847 HydrophobicContact CG-CD2 4.42Å; C838-L847 CarbonylContact C-O 3.03Å; C838-L847 WeakPolarHBondContact CA-O 3.46Å; L839-L847 PolarHBondContact N-O 3.37Å; L839-L847 PolarHBondContact O-N 2.78Å; I841-L847 HydrophobicContact CG2-CD1 4.5Å; I841-L847 HydrophobicContact CG2-CG 4.5Å
848I98.5Very high95.9Very high24 Ų2431 Ų3112%0.12317%0.165CC..EExtended strand (participates in β ladder)trans-130.5127.8176.3-58.3169.9000108.6I800 K802 L807 Y836 G837I800-I848 HydrophobicContact CB-CB 4.22Å; I800-I848 PolarHBondContact N-O 3.06Å; I800-I848 PolarHBondContact O-N 3.23Å; K802-I848 HydrophobicContact CD-CD1 4.13Å; L807-I848 HydrophobicContact CD1-CD1 4.28Å; L807-I848 HydrophobicContact CD1-CG1 4.01Å; L807-I848 HydrophobicContact CD2-CD1 4.23Å; Y836-I848 HydrophobicContact CD2-CG2 3.76Å; Y836-I848 HydrophobicContact CE2-CG2 3.6Å; G837-I848 CarbonylContact O-C 3.52Å; G837-I848 WeakPolarHBondContact O-CA 3.36Å
849E98.3Very high95.5Very high87 Ų8734.6 Ų34.641%0.40718%0.18SC..EExtended strand (participates in β ladder)trans-65.1132.2175.1-178.4-174.5-179.800110.5L755 G837L755-E849 HydrophobicContact CD1-CB 4.13Å; G837-E849 PolarHBondContact N-OE2 3.16Å; G837-E849 WeakPolarHBondContact O-CB 3.26Å; G837-E849 PolarHBondContact O-N 3.02Å
850V97.7Very high95.1Very high16 Ų1634.6 Ų34.610%0.09718%0.18CC..  trans-82.2123.2172.31720000110.4W780 E798 I800 R852W780-V850 HydrophobicContact CD2-CG2 4.33Å; W780-V850 HydrophobicContact CE3-CG2 4.17Å; W780-V850 HydrophobicContact CH2-CB 4.26Å; W780-V850 HydrophobicContact CH2-CG1 3.27Å; W780-V850 HydrophobicContact CH2-CG2 3.93Å; W780-V850 HydrophobicContact CZ2-CB 4.39Å; W780-V850 HydrophobicContact CZ2-CG1 3.5Å; W780-V850 HydrophobicContact CZ2-CG2 4.07Å; W780-V850 HydrophobicContact CZ3-CG1 4.05Å; W780-V850 HydrophobicContact CZ3-CG2 3.97Å; E798-V850 HydrophobicContact CB-CB 3.61Å; E798-V850 HydrophobicContact CB-CG1 3.95Å; E798-V850 HydrophobicContact CB-CG2 3.87Å; E798-V850 WeakPolarHBondContact O-CB 3.38Å; E798-V850 PolarHBondContact O-N 3.31Å; I800-V850 HydrophobicContact CD1-CG2 4.07Å; I800-V850 HydrophobicContact CG1-CG2 3.76Å; V850-R852 PolarHBondContact O-N 3.39Å
851V97Very high94.6Very high21 Ų2134.7 Ų34.713%0.12718%0.18CC..  trans-82105.6170.9-175.20000109.7L834 Y836 S854 K924 F930L834-V851 HydrophobicContact CD1-CG1 3.68Å; L834-V851 HydrophobicContact CD1-CG2 4.37Å; L834-V851 HydrophobicContact CD2-CG1 4.3Å; L834-V851 HydrophobicContact CD2-CG2 3.52Å; Y836-V851 HydrophobicContact CG-CG2 4.48Å; V851-S854 WeakPolarHBondContact O-CB 3.48Å; V851-S854 PolarHBondContact O-OG 3.1Å; V851-K924 HydrophobicContact CG1-CD 3.83Å; V851-K924 HydrophobicContact CG1-CG 4.17Å; V851-F930 HydrophobicContact CB-CE1 4.5Å; V851-F930 HydrophobicContact CB-CE2 4.16Å; V851-F930 HydrophobicContact CB-CZ 3.74Å; V851-F930 HydrophobicContact CG1-CE1 4.04Å; V851-F930 HydrophobicContact CG1-CE2 4.46Å; V851-F930 HydrophobicContact CG1-CZ 3.78Å; V851-F930 HydrophobicContact CG2-CE2 3.88Å; V851-F930 HydrophobicContact CG2-CZ 3.99Å
852R93.6Very high93.9Very high103 Ų10337.3 Ų37.339%0.38920%0.198SC..THydrogen-bonded Turntrans-63.6153.2-179.2-58.5-179.869.6156.25.9112.4S796 V850 S854S796-R852 PolarHBondContact O-NH1 2.91Å; S796-R852 VanDerWaalsContact OG-CZ 3.27Å; S796-R852 PolarHBondContact OG-NH1 3.4Å; S796-R852 PolarHBondContact OG-NH2 2.83Å; V850-R852 PolarHBondContact O-N 3.39Å; R852-S854 PolarHBondContact O-N 3.27Å
853N94.7Very high93.3Very high114 Ų11443.3 Ų43.361%0.6122%0.22SC*.THydrogen-bonded Turntrans53.737.2178.4-51.5-39.9000113.2K924 D925N853-K924 WeakPolarHBondContact O-CA 3.48Å; N853-D925 HydrophobicContact CB-CB 4.48Å; N853-D925 PolarHBondContact O-N 2.81Å
854S96.4Very high92.2Very high20 Ų2041.1 Ų41.114%0.1422%0.22CC..EExtended strand (participates in β ladder)trans-119.9148.7176.970.90000110.7V851 R852 M922 V923V851-S854 WeakPolarHBondContact O-CB 3.48Å; V851-S854 PolarHBondContact O-OG 3.1Å; R852-S854 PolarHBondContact O-N 3.27Å; S854-M922 WeakPolarHBondContact OG-CE 3.43Å; S854-V923 WeakPolarHBondContact CA-O 3.47Å
855H95Very high90.8Very high37 Ų3740.8 Ų40.817%0.17122%0.224CC..EExtended strand (participates in β ladder)trans-136.5143.5180-58.586.8000109.4Q859 I860 K863 W880 M922 V923 D925H855-Q859 HydrophobicContact CB-CB 4.37Å; H855-I860 HydrophobicContact CB-CD1 4.14Å; H855-I860 HydrophobicContact CB-CG1 3.83Å; H855-K863 PolarHBondContact NE2-NZ 3.24Å; H855-W880 AromaticContact ND1-CZ2 3.64Å; H855-M922 CarbonylContact O-C 3.59Å; H855-M922 VanDerWaalsContact O-CA 3.24Å; H855-M922 WeakPolarHBondContact O-CA 3.47Å; H855-V923 PolarHBondContact N-O 3.23Å; H855-V923 PolarHBondContact O-N 3.34Å; H855-D925 IonicContact CE1-OD1 3.93Å; H855-D925 IonicContact ND1-OD1 2.72Å
856T93.9Very high89.3Confident19 Ų1945 Ų4512%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-66.2152.2168.869.20000109.8M858 Q859 I860 N918 S919 I921 M922T856-M858 PolarHBondContact O-N 2.97Å; T856-Q859 WeakPolarHBondContact O-CB 3.42Å; T856-Q859 PolarHBondContact O-N 3.39Å; T856-Q859 VanDerWaalsContact OG1-CG 3.29Å; T856-Q859 WeakPolarHBondContact OG1-CG 3.46Å; T856-Q859 PolarHBondContact OG1-N 2.81Å; T856-Q859 VanDerWaalsContact OG1-N 3.13Å; T856-I860 PolarHBondContact O-N 3.36Å; T856-I860 VanDerWaalsContact O-N 3.12Å; T856-N918 WeakPolarHBondContact CB-O 3.4Å; T856-S919 WeakPolarHBondContact CG2-O 3.49Å; T856-I921 WeakPolarHBondContact CA-O 3.44Å; T856-M922 HydrophobicContact CG2-CE 4.24Å; T856-M922 HydrophobicContact CG2-CG 3.94Å; T856-M922 HydrophobicContact CG2-SD 4.42Å
857I91.2Very high87.1Confident1 Ų151.9 Ų51.91%0.00528%0.275CS..Hα-helixtrans-54.9-38174.4-58.4-58.3000110.6I860 Q861 L877 N918 I921 V923 F960I857-I860 PolarHBondContact O-N 3.22Å; I857-Q861 HydrophobicContact CG2-CG 4.26Å; I857-Q861 WeakPolarHBondContact O-CB 3.46Å; I857-Q861 WeakPolarHBondContact O-CG 3.42Å; I857-Q861 PolarHBondContact O-N 2.91Å; I857-L877 HydrophobicContact CD1-CD1 3.79Å; I857-L877 HydrophobicContact CD1-CD2 3.89Å; I857-L877 HydrophobicContact CD1-CG 4.48Å; I857-N918 HydrophobicContact CB-CB 3.87Å; I857-N918 HydrophobicContact CG2-CB 3.95Å; I857-N918 PolarHBondContact N-O 3.4Å; I857-N918 VanDerWaalsContact N-O 3.13Å; I857-I921 HydrophobicContact CD1-CG2 4.41Å; I857-I921 HydrophobicContact CG1-CB 4.02Å; I857-I921 HydrophobicContact CG1-CG2 3.9Å; I857-I921 PolarHBondContact N-O 2.83Å; I857-V923 HydrophobicContact CD1-CG2 3.47Å; I857-V923 VanDerWaalsContact CD1-CG2 3.47Å; I857-F960 HydrophobicContact CD1-CE1 3.92Å; I857-F960 HydrophobicContact CG1-CE1 4.05Å; I857-F960 HydrophobicContact CG1-CZ 4.28Å
858M88.4Confident85.2Confident13 Ų1355.4 Ų55.46%0.06431%0.313CS..Hα-helixtrans-59.4-47.2175.9-176.26277.600111.7T856 I860 Q861 C862 F872 N918 T1061T856-M858 PolarHBondContact O-N 2.97Å; M858-I860 VanDerWaalsContact C-N 3.28Å; M858-I860 PolarHBondContact O-N 2.92Å; M858-Q861 PolarHBondContact O-N 3.49Å; M858-C862 WeakPolarHBondContact O-CB 3.42Å; M858-C862 PolarHBondContact O-N 3.21Å; M858-C862 PolarHBondContact O-SG 3.14Å; M858-F872 HydrophobicContact SD-CE2 4.05Å; M858-F872 HydrophobicContact SD-CZ 4.27Å; M858-N918 HydrophobicContact CB-CB 4.15Å; M858-N918 WeakPolarHBondContact CB-O 3.4Å; M858-N918 HydrophobicContact CE-CB 4.37Å; M858-N918 PolarHBondContact N-O 3.02Å; M858-T1061 HydrophobicContact CE-CG2 4.47Å; M858-T1061 VanDerWaalsContact CE-OG1 3.31Å; M858-T1061 WeakPolarHBondContact CE-OG1 3.28Å
859Q90.1Very high82.8Confident94 Ų9459.3 Ų59.344%0.43935%0.348SS..Hα-helixtrans-60.7-37.9177.3-74.9169.7-30.600112.3H855 T856 K863H855-Q859 HydrophobicContact CB-CB 4.37Å; T856-Q859 WeakPolarHBondContact O-CB 3.42Å; T856-Q859 PolarHBondContact O-N 3.39Å; T856-Q859 VanDerWaalsContact OG1-CG 3.29Å; T856-Q859 WeakPolarHBondContact OG1-CG 3.46Å; T856-Q859 PolarHBondContact OG1-N 2.81Å; T856-Q859 VanDerWaalsContact OG1-N 3.13Å; Q859-K863 WeakPolarHBondContact O-CG 3.23Å; Q859-K863 PolarHBondContact O-N 2.81Å
860I90.7Very high80.9Confident2 Ų261.9 Ų61.91%0.0136%0.364CS..Hα-helixtrans-67.3-46.4177-63.5168.5000110.4H855 T856 I857 M858 K863 G864 T876 L877 W880 V923H855-I860 HydrophobicContact CB-CD1 4.14Å; H855-I860 HydrophobicContact CB-CG1 3.83Å; T856-I860 PolarHBondContact O-N 3.36Å; T856-I860 VanDerWaalsContact O-N 3.12Å; I857-I860 PolarHBondContact O-N 3.22Å; M858-I860 VanDerWaalsContact C-N 3.28Å; M858-I860 PolarHBondContact O-N 2.92Å; I860-K863 PolarHBondContact O-N 3.5Å; I860-G864 PolarHBondContact O-N 2.9Å; I860-T876 HydrophobicContact CG2-CG2 4.43Å; I860-L877 HydrophobicContact CD1-CD1 3.74Å; I860-L877 HydrophobicContact CG2-CD1 4.21Å; I860-W880 HydrophobicContact CD1-CD2 3.99Å; I860-W880 HydrophobicContact CD1-CE3 3.84Å; I860-W880 HydrophobicContact CD1-CH2 4.2Å; I860-W880 HydrophobicContact CD1-CZ2 4.33Å; I860-W880 HydrophobicContact CD1-CZ3 3.96Å; I860-W880 HydrophobicContact CG1-CD2 4.11Å; I860-W880 HydrophobicContact CG1-CE3 4.47Å; I860-W880 HydrophobicContact CG1-CG 4.43Å; I860-W880 HydrophobicContact CG1-CZ2 4.47Å; I860-W880 HydrophobicContact CG2-CB 3.61Å; I860-W880 HydrophobicContact CG2-CD2 4.01Å; I860-W880 HydrophobicContact CG2-CG 3.58Å; I860-V923 HydrophobicContact CD1-CB 4.27Å
861Q86.9Confident79.3Confident3 Ų366.4 Ų66.41%0.01438%0.384CS..Hα-helixtrans-63.4-42.6178.9-74.7175.8-22.300112.5I857 M858 K863 G864 G865 F872 N918 D959I857-Q861 HydrophobicContact CG2-CG 4.26Å; I857-Q861 WeakPolarHBondContact O-CB 3.46Å; I857-Q861 WeakPolarHBondContact O-CG 3.42Å; I857-Q861 PolarHBondContact O-N 2.91Å; M858-Q861 PolarHBondContact O-N 3.49Å; Q861-K863 VanDerWaalsContact C-N 3.26Å; Q861-K863 PolarHBondContact O-N 2.82Å; Q861-G864 PolarHBondContact O-N 3.31Å; Q861-G864 VanDerWaalsContact O-N 3.09Å; Q861-G865 PolarHBondContact O-N 2.92Å; Q861-F872 HydrophobicContact CB-CB 4.27Å; Q861-F872 HydrophobicContact CB-CD1 3.85Å; Q861-F872 HydrophobicContact CB-CD2 4.34Å; Q861-F872 HydrophobicContact CB-CE1 4.25Å; Q861-F872 HydrophobicContact CB-CG 3.91Å; Q861-F872 HydrophobicContact CG-CB 4.33Å; Q861-F872 HydrophobicContact CG-CG 4.44Å; Q861-N918 PolarHBondContact NE2-ND2 3.46Å; Q861-N918 PolarHBondContact OE1-ND2 3.07Å; Q861-D959 PolarHBondContact NE2-OD1 3.28Å
862C83.8Confident78Confident65 Ų6567.2 Ų67.244%0.43939%0.386SS..Hα-helixtrans-60.4-33.8176-71.50000112.8M858M858-C862 WeakPolarHBondContact O-CB 3.42Å; M858-C862 PolarHBondContact O-N 3.21Å; M858-C862 PolarHBondContact O-SG 3.14Å
863K82.6Confident77.4Confident142 Ų14264.7 Ų64.762%0.61738%0.38SS*.Hα-helixtrans-70.8-28.6175.5-72.7175.2-177.61790113H855 Q859 I860 Q861H855-K863 PolarHBondContact NE2-NZ 3.24Å; Q859-K863 WeakPolarHBondContact O-CG 3.23Å; Q859-K863 PolarHBondContact O-N 2.81Å; I860-K863 PolarHBondContact O-N 3.5Å; Q861-K863 VanDerWaalsContact C-N 3.26Å; Q861-K863 PolarHBondContact O-N 2.82Å
864G71.6Confident76.8Confident48 Ų4860.2 Ų60.250%0.49536%0.358SS..Hα-helixtrans-84.4-10.8-178.400000115.7I860 Q861I860-G864 PolarHBondContact O-N 2.9Å; Q861-G864 PolarHBondContact O-N 3.31Å; Q861-G864 VanDerWaalsContact O-N 3.09Å
865G65.1Low76.4Confident35 Ų3563.1 Ų63.136%0.36137%0.369SS..  trans81.8162.5179.700000115.1Q861Q861-G865 PolarHBondContact O-N 2.92Å
866L62.6Low76.3Confident97 Ų9762 Ų6251%0.50837%0.365SS..EExtended strand (participates in β ladder)trans-84.3147.9177.5-69.7156.3000111L870 F872L866-L870 HydrophobicContact CD1-CD2 4.31Å; L866-F872 HydrophobicContact CD2-CD1 3.91Å; L866-F872 HydrophobicContact CD2-CE1 3.8Å; L866-F872 HydrophobicContact CD2-CG 4.35Å; L866-F872 HydrophobicContact CD2-CZ 4.16Å; L866-F872 HydrophobicContact CG-CD1 4.47Å; L866-F872 HydrophobicContact CG-CE1 4.21Å
867K53.2Low76.2Confident145 Ų14561.1 Ų61.163%0.6336%0.36SS*.EExtended strand (participates in β ladder)trans-111.5131.7167-115.6-171.3178-175.90109.5Q871K867-Q871 PolarHBondContact N-O 2.56Å; K867-Q871 PolarHBondContact O-N 2.95Å; K867-Q871 VanDerWaalsContact O-O 3.12Å
868G57.9Low76.4Confident78 Ų7861.8 Ų61.880%0.80436%0.363SS*.THydrogen-bonded Turntrans55.9-140.717200000114.1L870G868-L870 PolarHBondContact O-N 2.87Å
869A48.1Very low76.7Confident105 Ų10565.3 Ų65.387%0.86838%0.379SS*.THydrogen-bonded Turntrans-67.765.1-176.200000113.8Q871A869-Q871 PolarHBondContact O-N 3.03Å
870L59Low76.9Confident142 Ų14262.2 Ų62.274%0.74336%0.363SS*.THydrogen-bonded Turntrans63.827.3172.2-58.9164.5000115.5L866 G868L866-L870 HydrophobicContact CD1-CD2 4.31Å; G868-L870 PolarHBondContact O-N 2.87Å
871Q63.8Low77.2Confident111 Ų11162.1 Ų62.152%0.51936%0.363SS..EExtended strand (participates in β ladder)trans-106.3133.8178.7-164.9176.9-4.900112.1K867 A869K867-Q871 PolarHBondContact N-O 2.56Å; K867-Q871 PolarHBondContact O-N 2.95Å; K867-Q871 VanDerWaalsContact O-O 3.12Å; A869-Q871 PolarHBondContact O-N 3.03Å
872F69.8Low77.6Confident37 Ų3766.9 Ų66.916%0.16238%0.384CS..EExtended strand (participates in β ladder)trans-70.3143.1171.5-66-67.2000111.3M858 Q861 L866 S874 T1061M858-F872 HydrophobicContact SD-CE2 4.05Å; M858-F872 HydrophobicContact SD-CZ 4.27Å; Q861-F872 HydrophobicContact CB-CB 4.27Å; Q861-F872 HydrophobicContact CB-CD1 3.85Å; Q861-F872 HydrophobicContact CB-CD2 4.34Å; Q861-F872 HydrophobicContact CB-CE1 4.25Å; Q861-F872 HydrophobicContact CB-CG 3.91Å; Q861-F872 HydrophobicContact CG-CB 4.33Å; Q861-F872 HydrophobicContact CG-CG 4.44Å; L866-F872 HydrophobicContact CD2-CD1 3.91Å; L866-F872 HydrophobicContact CD2-CE1 3.8Å; L866-F872 HydrophobicContact CD2-CG 4.35Å; L866-F872 HydrophobicContact CD2-CZ 4.16Å; L866-F872 HydrophobicContact CG-CD1 4.47Å; L866-F872 HydrophobicContact CG-CE1 4.21Å; F872-S874 PolarHBondContact O-N 2.92Å; F872-T1061 HydrophobicContact CE2-CG2 4.19Å; F872-T1061 HydrophobicContact CZ-CG2 4.44Å
873N80.2Confident78.1Confident51 Ų5167.8 Ų67.827%0.27338%0.384SS..  trans-73.6119.8175.7178.67.3000110.6H875 T876N873-H875 PolarHBondContact O-N 3.09Å; N873-H875 VanDerWaalsContact O-N 3.08Å; N873-H875 PolarHBondContact OD1-N 3.18Å; N873-T876 VanDerWaalsContact O-CB 3.28Å; N873-T876 WeakPolarHBondContact O-CB 3.19Å; N873-T876 PolarHBondContact O-N 3.17Å; N873-T876 PolarHBondContact O-OG1 3.2Å
874S82.6Confident78.7Confident19 Ų1965.4 Ų65.413%0.13337%0.373CS..THydrogen-bonded Turntrans-63.5-13.9179.4-70.10000114.4F872 D959F872-S874 PolarHBondContact O-N 2.92Å; S874-D959 VanDerWaalsContact CB-OD2 3.25Å; S874-D959 WeakPolarHBondContact CB-OD2 3.29Å; S874-D959 PolarHBondContact OG-OD2 2.84Å
875H88.6Confident79.9Confident81 Ų8163.9 Ų63.938%0.37535%0.354SS..THydrogen-bonded Turntrans-81.8-11.3172-71.1-88.5000114N873 L877 H878 Q879 I962N873-H875 PolarHBondContact O-N 3.09Å; N873-H875 VanDerWaalsContact O-N 3.08Å; N873-H875 PolarHBondContact OD1-N 3.18Å; H875-L877 VanDerWaalsContact C-N 3.33Å; H875-L877 PolarHBondContact O-N 2.95Å; H875-H878 PolarHBondContact O-N 3.34Å; H875-Q879 PolarHBondContact O-N 3.03Å; H875-I962 WeakPolarHBondContact ND1-CG2 3.39Å
876T91.6Very high81.1Confident15 Ų1571 Ų719%0.09237%0.37CS..Hα-helixtrans-60-41.9-173.5-63.40000112.4I860 N873 Q879 W880I860-T876 HydrophobicContact CG2-CG2 4.43Å; N873-T876 VanDerWaalsContact O-CB 3.28Å; N873-T876 WeakPolarHBondContact O-CB 3.19Å; N873-T876 PolarHBondContact O-N 3.17Å; N873-T876 PolarHBondContact O-OG1 3.2Å; T876-Q879 PolarHBondContact O-N 3.22Å; T876-W880 WeakPolarHBondContact O-CB 3.43Å; T876-W880 PolarHBondContact O-N 2.83Å
877L93.3Very high82.6Confident0 Ų069.4 Ų69.40%038%0.377CS..Hα-helixtrans-61.5-46.1177.8178.562.1000111.8I857 I860 H875 W880 L881 F897 V923 D959 F960 V963I857-L877 HydrophobicContact CD1-CD1 3.79Å; I857-L877 HydrophobicContact CD1-CD2 3.89Å; I857-L877 HydrophobicContact CD1-CG 4.48Å; I860-L877 HydrophobicContact CD1-CD1 3.74Å; I860-L877 HydrophobicContact CG2-CD1 4.21Å; H875-L877 VanDerWaalsContact C-N 3.33Å; H875-L877 PolarHBondContact O-N 2.95Å; L877-W880 PolarHBondContact O-N 2.99Å; L877-L881 PolarHBondContact O-N 3.21Å; L877-F897 HydrophobicContact CD2-CE2 4.21Å; L877-F897 HydrophobicContact CD2-CZ 4.17Å; L877-V923 HydrophobicContact CD1-CG2 4.35Å; L877-D959 HydrophobicContact CD2-CB 4.42Å; L877-F960 HydrophobicContact CD2-CD1 3.66Å; L877-F960 HydrophobicContact CD2-CE1 3.86Å; L877-V963 HydrophobicContact CB-CG2 4.45Å; L877-V963 HydrophobicContact CD2-CG2 3.94Å; L877-V963 HydrophobicContact CG-CG2 3.9Å
878H95.4Very high84.2Confident15 Ų1570.5 Ų70.57%0.06938%0.384CS..Hα-helixtrans-63.9-43.8178.7176.8-125.8000112.2H875 L881 K882 Y890 I962 V963H875-H878 PolarHBondContact O-N 3.34Å; H878-L881 PolarHBondContact O-N 3.07Å; H878-K882 WeakPolarHBondContact O-CB 3.27Å; H878-K882 PolarHBondContact O-N 3.23Å; H878-Y890 AromaticContact NE2-CE2 3.86Å; H878-Y890 AromaticContact NE2-CZ 3.74Å; H878-Y890 PolarHBondContact NE2-OH 3.07Å; H878-I962 HydrophobicContact CB-CG2 3.77Å; H878-V963 HydrophobicContact CB-CG2 3.87Å
879Q93.9Very high85.8Confident87 Ų8771.7 Ų71.741%0.40737%0.37SS..Hα-helixtrans-63.3-44.2176.5-17458.546.400111.5H875 T876 L881 K882 D883H875-Q879 PolarHBondContact O-N 3.03Å; T876-Q879 PolarHBondContact O-N 3.22Å; Q879-L881 VanDerWaalsContact C-N 3.31Å; Q879-L881 PolarHBondContact O-N 3.09Å; Q879-K882 WeakPolarHBondContact O-CB 3.49Å; Q879-K882 PolarHBondContact O-N 3.13Å; Q879-K882 VanDerWaalsContact O-N 3.16Å; Q879-D883 PolarHBondContact NE2-OD1 3.44Å; Q879-D883 PolarHBondContact O-N 3.47Å
880W95.1Very high88.1Confident28 Ų2868.3 Ų68.311%0.10634%0.335CS..Hα-helixtrans-58.2-42.9175.9176.788.6000112H855 I860 T876 L877 K882 D883 K884 V923 D925H855-W880 AromaticContact ND1-CZ2 3.64Å; I860-W880 HydrophobicContact CD1-CD2 3.99Å; I860-W880 HydrophobicContact CD1-CE3 3.84Å; I860-W880 HydrophobicContact CD1-CH2 4.2Å; I860-W880 HydrophobicContact CD1-CZ2 4.33Å; I860-W880 HydrophobicContact CD1-CZ3 3.96Å; I860-W880 HydrophobicContact CG1-CD2 4.11Å; I860-W880 HydrophobicContact CG1-CE3 4.47Å; I860-W880 HydrophobicContact CG1-CG 4.43Å; I860-W880 HydrophobicContact CG1-CZ2 4.47Å; I860-W880 HydrophobicContact CG2-CB 3.61Å; I860-W880 HydrophobicContact CG2-CD2 4.01Å; I860-W880 HydrophobicContact CG2-CG 3.58Å; T876-W880 WeakPolarHBondContact O-CB 3.43Å; T876-W880 PolarHBondContact O-N 2.83Å; L877-W880 PolarHBondContact O-N 2.99Å; W880-K882 VanDerWaalsContact C-N 3.33Å; W880-K882 PolarHBondContact O-N 2.77Å; W880-D883 PolarHBondContact O-N 3.25Å; W880-K884 HydrophobicContact CD2-CG 4.32Å; W880-K884 HydrophobicContact CH2-CG 4.38Å; W880-K884 HydrophobicContact CZ2-CG 4.05Å; W880-K884 WeakPolarHBondContact O-CG 3.49Å; W880-K884 PolarHBondContact O-N 3.03Å; W880-K884 VanDerWaalsContact O-N 3.11Å; W880-V923 HydrophobicContact CZ3-CB 4.48Å; W880-V923 HydrophobicContact CZ3-CG1 3.94Å; W880-D925 WeakPolarHBondContact CH2-OD1 3.41Å; W880-D925 VanDerWaalsContact CZ2-OD1 3.26Å; W880-D925 WeakPolarHBondContact CZ2-OD1 3.38Å
881L95.6Very high89.8Confident0 Ų065.3 Ų65.30%032%0.32CS..Hα-helixtrans-63.2-41177.2-135.2103000111.7L877 H878 Q879 K884 N885 A893 I894 F897 V923 V963L877-L881 PolarHBondContact O-N 3.21Å; H878-L881 PolarHBondContact O-N 3.07Å; Q879-L881 VanDerWaalsContact C-N 3.31Å; Q879-L881 PolarHBondContact O-N 3.09Å; L881-K884 PolarHBondContact O-N 3.24Å; L881-N885 WeakPolarHBondContact O-CB 3.34Å; L881-N885 PolarHBondContact O-N 2.9Å; L881-N885 PolarHBondContact O-ND2 3.18Å; L881-A893 HydrophobicContact CD2-CB 3.9Å; L881-I894 HydrophobicContact CD2-CD1 3.79Å; L881-F897 HydrophobicContact CD1-CD2 4.35Å; L881-V923 HydrophobicContact CD1-CG1 3.8Å; L881-V963 HydrophobicContact CD2-CG1 4.29Å
882K95.1Very high91.2Very high104 Ų10466.3 Ų66.345%0.45233%0.325SS..Hα-helixtrans-67.3-35.3177.4-171.4178.1-179.9179.90112.3H878 Q879 W880 K884 N885 Y890H878-K882 WeakPolarHBondContact O-CB 3.27Å; H878-K882 PolarHBondContact O-N 3.23Å; Q879-K882 WeakPolarHBondContact O-CB 3.49Å; Q879-K882 PolarHBondContact O-N 3.13Å; Q879-K882 VanDerWaalsContact O-N 3.16Å; W880-K882 VanDerWaalsContact C-N 3.33Å; W880-K882 PolarHBondContact O-N 2.77Å; K882-K884 VanDerWaalsContact C-N 3.34Å; K882-N885 CarbonylContact O-C 3.5Å; K882-N885 VanDerWaalsContact O-O 3.04Å; K882-Y890 HydrophobicContact CB-CD2 4.18Å; K882-Y890 HydrophobicContact CB-CE2 4.05Å; K882-Y890 HydrophobicContact CG-CD2 4.06Å; K882-Y890 HydrophobicContact CG-CE2 4.09Å
883D94.9Very high92.5Very high84 Ų8464.6 Ų64.645%0.44932%0.318SS..Hα-helixtrans-68-37.7176.9-68.1-22.5000111.5Q879 W880 R886Q879-D883 PolarHBondContact NE2-OD1 3.44Å; Q879-D883 PolarHBondContact O-N 3.47Å; W880-D883 PolarHBondContact O-N 3.25Å; D883-R886 PolarHBondContact O-NE 3.29Å
884K95.8Very high93.3Very high91 Ų9162.3 Ų62.340%0.39631%0.305SS..Hα-helixtrans-73.7-34.7176.3-71.3-70.1-172.1162.60113.4W880 L881 K882 D925W880-K884 HydrophobicContact CD2-CG 4.32Å; W880-K884 HydrophobicContact CH2-CG 4.38Å; W880-K884 HydrophobicContact CZ2-CG 4.05Å; W880-K884 WeakPolarHBondContact O-CG 3.49Å; W880-K884 PolarHBondContact O-N 3.03Å; W880-K884 VanDerWaalsContact O-N 3.11Å; L881-K884 PolarHBondContact O-N 3.24Å; K882-K884 VanDerWaalsContact C-N 3.34Å; K884-D925 HydrophobicContact CD-CB 4.31Å; K884-D925 WeakPolarHBondContact CE-OD1 3.46Å; K884-D925 VanDerWaalsContact NZ-CG 3.35Å; K884-D925 IonicContact NZ-OD1 3.01Å; K884-D925 PolarHBondContact NZ-OD1 3Å; K884-D925 IonicContact NZ-OD2 2.61Å; K884-D925 PolarHBondContact NZ-OD2 2.94Å
885N96Very high94Very high17 Ų1763.5 Ų63.59%0.09131%0.31CS..SBendtrans-124.3100.1-173-57.2-81.1000110L881 K882 M889 Y890 A893 D925L881-N885 WeakPolarHBondContact O-CB 3.34Å; L881-N885 PolarHBondContact O-N 2.9Å; L881-N885 PolarHBondContact O-ND2 3.18Å; K882-N885 CarbonylContact O-C 3.5Å; K882-N885 VanDerWaalsContact O-O 3.04Å; N885-M889 HydrophobicContact CB-CB 4.28Å; N885-Y890 WeakPolarHBondContact O-CB 3.47Å; N885-A893 HydrophobicContact CB-CB 3.77Å; N885-A893 VanDerWaalsContact CG-CB 3.45Å; N885-D925 PolarHBondContact ND2-O 3.2Å; N885-D925 PolarHBondContact OD1-O 2.97Å
886R91.4Very high94.4Very high183 Ų18360.4 Ų60.469%0.69130%0.296SS*.  trans-104.2151.8-177-59.8-178.1-176.8-172-3111.7D883D883-R886 PolarHBondContact O-NE 3.29Å
887G92.6Very high94.7Very high64 Ų6459.7 Ų59.766%0.6629%0.292SS*.THydrogen-bonded Turntrans64.6-138.2179.700000112M889 Y890G887-M889 PolarHBondContact O-N 3.36Å; G887-Y890 VanDerWaalsContact O-CB 3.28Å; G887-Y890 WeakPolarHBondContact O-CB 3.42Å; G887-Y890 PolarHBondContact O-N 3.33Å; G887-Y890 VanDerWaalsContact O-N 3.08Å
888E87.6Confident94.9Very high168 Ų16859.7 Ų59.779%0.78529%0.292SS*.Hα-helixtrans-61.8-23.3-178.2-62.5-176.5175.300113.9Y890E888-Y890 PolarHBondContact O-N 3.45Å
889M91.6Very high95Very high103 Ų10361.8 Ų61.851%0.50730%0.299SS..Hα-helixtrans-68.7-23.4176.5-62.4-172.9-6400112.7N885 G887 Q892 A893N885-M889 HydrophobicContact CB-CB 4.28Å; G887-M889 PolarHBondContact O-N 3.36Å; M889-Q892 PolarHBondContact O-N 3.19Å; M889-A893 WeakPolarHBondContact O-CB 3.29Å; M889-A893 PolarHBondContact O-N 3.33Å
890Y95.6Very high95.2Very high34 Ų3457.7 Ų57.713%0.13328%0.28CS..Hα-helixtrans-60.1-50.5178.9171.6-102.4000111.2H878 K882 N885 G887 E888 Q892 A893 I894 K966H878-Y890 AromaticContact NE2-CE2 3.86Å; H878-Y890 AromaticContact NE2-CZ 3.74Å; H878-Y890 PolarHBondContact NE2-OH 3.07Å; K882-Y890 HydrophobicContact CB-CD2 4.18Å; K882-Y890 HydrophobicContact CB-CE2 4.05Å; K882-Y890 HydrophobicContact CG-CD2 4.06Å; K882-Y890 HydrophobicContact CG-CE2 4.09Å; N885-Y890 WeakPolarHBondContact O-CB 3.47Å; G887-Y890 VanDerWaalsContact O-CB 3.28Å; G887-Y890 WeakPolarHBondContact O-CB 3.42Å; G887-Y890 PolarHBondContact O-N 3.33Å; G887-Y890 VanDerWaalsContact O-N 3.08Å; E888-Y890 PolarHBondContact O-N 3.45Å; Y890-Q892 VanDerWaalsContact C-N 3.28Å; Y890-Q892 PolarHBondContact O-N 3.24Å; Y890-A893 PolarHBondContact O-N 3.45Å; Y890-A893 VanDerWaalsContact O-N 3.17Å; Y890-I894 HydrophobicContact CD1-CG1 4.41Å; Y890-I894 HydrophobicContact CD2-CG1 4.26Å; Y890-I894 HydrophobicContact CE1-CG1 3.98Å; Y890-I894 HydrophobicContact CE2-CD1 3.88Å; Y890-I894 HydrophobicContact CE2-CG1 3.81Å; Y890-I894 WeakPolarHBondContact O-CG1 3.43Å; Y890-I894 PolarHBondContact O-N 2.96Å; Y890-K966 HydrophobicContact CE1-CD 4.49Å
891D94.8Very high95.2Very high80 Ų8056.5 Ų56.543%0.42828%0.276SS..Hα-helixtrans-64.8-35.1-178.8-73.3-49.2000111.9D895 K966D891-D895 WeakPolarHBondContact O-CB 3.45Å; D891-D895 PolarHBondContact O-N 2.95Å; D891-K966 IonicContact OD1-NZ 2.74Å; D891-K966 PolarHBondContact OD1-NZ 3.22Å
892Q94.1Very high95.3Very high132 Ų13256.5 Ų56.562%0.61728%0.276SS*.Hα-helixtrans-64.7-42.4174.3-62.2178.512.100111.7M889 Y890 D895 L896M889-Q892 PolarHBondContact O-N 3.19Å; Y890-Q892 VanDerWaalsContact C-N 3.28Å; Y890-Q892 PolarHBondContact O-N 3.24Å; Q892-D895 PolarHBondContact O-N 3.42Å; Q892-L896 WeakPolarHBondContact O-CB 3.5Å; Q892-L896 PolarHBondContact O-N 2.95Å
893A96.8Very high95.3Very high1 Ų151.5 Ų51.51%0.00825%0.254CS..Hα-helixtrans-67.3-40.417800000112.3L881 N885 M889 Y890 L896 F897 D926L881-A893 HydrophobicContact CD2-CB 3.9Å; N885-A893 HydrophobicContact CB-CB 3.77Å; N885-A893 VanDerWaalsContact CG-CB 3.45Å; M889-A893 WeakPolarHBondContact O-CB 3.29Å; M889-A893 PolarHBondContact O-N 3.33Å; Y890-A893 PolarHBondContact O-N 3.45Å; Y890-A893 VanDerWaalsContact O-N 3.17Å; A893-L896 PolarHBondContact O-N 3.38Å; A893-F897 WeakPolarHBondContact O-CB 3.43Å; A893-F897 PolarHBondContact O-N 3.06Å; A893-D926 WeakPolarHBondContact CA-O 3.45Å; A893-D926 WeakPolarHBondContact CB-O 3.42Å
894I97.5Very high95.4Very high3 Ų347.6 Ų47.62%0.01523%0.233CC..Hα-helixtrans-65.4-41.5174-60.7-60.7000111.2L881 Y890 F897 T898 V963 K966L881-I894 HydrophobicContact CD2-CD1 3.79Å; Y890-I894 HydrophobicContact CD1-CG1 4.41Å; Y890-I894 HydrophobicContact CD2-CG1 4.26Å; Y890-I894 HydrophobicContact CE1-CG1 3.98Å; Y890-I894 HydrophobicContact CE2-CD1 3.88Å; Y890-I894 HydrophobicContact CE2-CG1 3.81Å; Y890-I894 WeakPolarHBondContact O-CG1 3.43Å; Y890-I894 PolarHBondContact O-N 2.96Å; I894-F897 PolarHBondContact O-N 3.49Å; I894-T898 WeakPolarHBondContact O-CB 3.29Å; I894-T898 PolarHBondContact O-N 2.96Å; I894-T898 PolarHBondContact O-OG1 3.1Å; I894-V963 HydrophobicContact CD1-CG1 3.61Å; I894-V963 WeakPolarHBondContact CG2-O 3.48Å; I894-K966 HydrophobicContact CG2-CG 4.15Å
895D96.3Very high95.2Very high43 Ų4343.8 Ų43.823%0.2322%0.218CC..Hα-helixtrans-62.6-44.7176.4-168.962.9000111.3D891 Q892 T898 R899 R979D891-D895 WeakPolarHBondContact O-CB 3.45Å; D891-D895 PolarHBondContact O-N 2.95Å; Q892-D895 PolarHBondContact O-N 3.42Å; D895-T898 PolarHBondContact O-N 3.07Å; D895-R899 WeakPolarHBondContact O-CB 3.31Å; D895-R899 VanDerWaalsContact O-CG 3.26Å; D895-R899 WeakPolarHBondContact O-CG 3.44Å; D895-R899 PolarHBondContact O-N 3.09Å; D895-R899 IonicContact OD1-NE 2.68Å; D895-R899 IonicContact OD1-NH2 2.69Å; D895-R899 IonicContact OD2-CZ 2.84Å; D895-R899 IonicContact OD2-NE 3.18Å; D895-R899 PolarHBondContact OD2-NE 2.83Å; D895-R899 IonicContact OD2-NH2 3.83Å; D895-R899 PolarHBondContact OD2-NH2 2.73Å; D895-R979 IonicContact OD1-CZ 3.51Å; D895-R979 IonicContact OD1-NH1 2.72Å; D895-R979 PolarHBondContact OD1-NH1 3.24Å; D895-R979 IonicContact OD1-NH2 2.92Å; D895-R979 PolarHBondContact OD1-NH2 3.21Å
896L97.1Very high95.1Very high16 Ų1643 Ų438%0.08421%0.214CC..Hα-helixtrans-64.1-42.3176.2-178.554.5000112.1R832 Q892 A893 R899 S900 D926 Q928R832-L896 HydrophobicContact CB-CD1 4Å; R832-L896 HydrophobicContact CG-CD1 4.03Å; Q892-L896 WeakPolarHBondContact O-CB 3.5Å; Q892-L896 PolarHBondContact O-N 2.95Å; A893-L896 PolarHBondContact O-N 3.38Å; L896-R899 PolarHBondContact O-N 3.28Å; L896-S900 WeakPolarHBondContact O-CB 3.39Å; L896-S900 PolarHBondContact O-N 3.24Å; L896-S900 PolarHBondContact O-OG 3.4Å; L896-D926 HydrophobicContact CD2-CB 4.36Å; L896-Q928 HydrophobicContact CD1-CB 4.3Å; L896-Q928 HydrophobicContact CD1-CG 4.28Å; L896-Q928 HydrophobicContact CD2-CB 3.87Å; L896-Q928 HydrophobicContact CG-CB 3.93Å; L896-Q928 HydrophobicContact CG-CG 4.43Å
897F98.1Very high95.3Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-58.8-48.4173.1-175.5-85.8000110.9L877 L881 A893 I894 R899 S900 C901 V923 G927 L929 F960 V963 I964L877-F897 HydrophobicContact CD2-CE2 4.21Å; L877-F897 HydrophobicContact CD2-CZ 4.17Å; L881-F897 HydrophobicContact CD1-CD2 4.35Å; A893-F897 WeakPolarHBondContact O-CB 3.43Å; A893-F897 PolarHBondContact O-N 3.06Å; I894-F897 PolarHBondContact O-N 3.49Å; F897-R899 PolarHBondContact O-N 3.41Å; F897-S900 PolarHBondContact O-OG 3.04Å; F897-C901 HydrophobicContact CE1-CB 4.4Å; F897-C901 WeakPolarHBondContact O-CB 3.48Å; F897-C901 PolarHBondContact O-N 3.1Å; F897-V923 HydrophobicContact CD2-CG1 4.33Å; F897-V923 HydrophobicContact CE2-CG2 3.99Å; F897-G927 WeakPolarHBondContact CA-O 3.33Å; F897-G927 VanDerWaalsContact CB-O 3.22Å; F897-G927 WeakPolarHBondContact CB-O 3.48Å; F897-G927 WeakPolarHBondContact CD2-O 3.39Å; F897-G927 PolarHBondContact N-O 2.86Å; F897-L929 HydrophobicContact CD2-CB 4.24Å; F897-L929 HydrophobicContact CD2-CD1 4.48Å; F897-L929 HydrophobicContact CE2-CB 4.2Å; F897-L929 HydrophobicContact CE2-CD1 3.67Å; F897-L929 HydrophobicContact CZ-CD1 3.7Å; F897-F960 HydrophobicContact CE1-CB 4.23Å; F897-F960 HydrophobicContact CZ-CB 4.21Å; F897-F960 AromaticContact CZ-CD1 3.86Å; F897-F960 HydrophobicContact CZ-CD1 3.86Å; F897-F960 HydrophobicContact CZ-CG 4.19Å; F897-V963 HydrophobicContact CB-CG1 4.13Å; F897-V963 HydrophobicContact CD1-CB 3.94Å; F897-V963 HydrophobicContact CD1-CG1 3.39Å; F897-V963 HydrophobicContact CD2-CG1 4.03Å; F897-V963 HydrophobicContact CE1-CB 3.75Å; F897-V963 HydrophobicContact CE1-CG1 3.72Å; F897-V963 HydrophobicContact CE1-CG2 4.41Å; F897-V963 HydrophobicContact CE2-CG1 4.3Å; F897-V963 HydrophobicContact CG-CB 4.49Å; F897-V963 HydrophobicContact CG-CG1 3.57Å; F897-V963 HydrophobicContact CZ-CB 4.14Å; F897-V963 HydrophobicContact CZ-CG1 4.17Å; F897-V963 HydrophobicContact CZ-CG2 4.3Å; F897-I964 HydrophobicContact CD1-CG1 4.21Å; F897-I964 HydrophobicContact CE1-CG1 4.2Å
898T97.6Very high95.3Very high1 Ų131.5 Ų31.51%0.00615%0.151CC..Hα-helixtrans-62.3-45.4-178.4-55.60000111.6I894 D895 A902 I964 F980 M983I894-T898 WeakPolarHBondContact O-CB 3.29Å; I894-T898 PolarHBondContact O-N 2.96Å; I894-T898 PolarHBondContact O-OG1 3.1Å; D895-T898 PolarHBondContact O-N 3.07Å; T898-A902 WeakPolarHBondContact O-CB 3.39Å; T898-A902 PolarHBondContact O-N 3.01Å; T898-I964 HydrophobicContact CG2-CG1 4.42Å; T898-I964 HydrophobicContact CG2-CG2 4.17Å; T898-F980 HydrophobicContact CG2-CB 3.83Å; T898-F980 HydrophobicContact CG2-CD2 3.89Å; T898-F980 HydrophobicContact CG2-CG 4.34Å; T898-M983 HydrophobicContact CG2-CE 4.03Å
899R97.8Very high95.4Very high59 Ų5923.8 Ų23.822%0.22312%0.115CC..Hα-helixtrans-65.5-48.8179.5-73.8168.5-178.8-69.1-5.1112.9D830 L831 D895 L896 F897 A902 G903 M983D830-R899 WeakPolarHBondContact O-CB 3.36Å; D830-R899 WeakPolarHBondContact O-CD 3.28Å; D830-R899 WeakPolarHBondContact O-CG 3.36Å; D830-R899 PolarHBondContact O-NH1 3.24Å; D830-R899 VanDerWaalsContact O-NH1 3.08Å; L831-R899 HydrophobicContact CD2-CB 4.39Å; L831-R899 WeakPolarHBondContact CD2-O 3.47Å; D895-R899 WeakPolarHBondContact O-CB 3.31Å; D895-R899 VanDerWaalsContact O-CG 3.26Å; D895-R899 WeakPolarHBondContact O-CG 3.44Å; D895-R899 PolarHBondContact O-N 3.09Å; D895-R899 IonicContact OD1-NE 2.68Å; D895-R899 IonicContact OD1-NH2 2.69Å; D895-R899 IonicContact OD2-CZ 2.84Å; D895-R899 IonicContact OD2-NE 3.18Å; D895-R899 PolarHBondContact OD2-NE 2.83Å; D895-R899 IonicContact OD2-NH2 3.83Å; D895-R899 PolarHBondContact OD2-NH2 2.73Å; L896-R899 PolarHBondContact O-N 3.28Å; F897-R899 PolarHBondContact O-N 3.41Å; R899-A902 PolarHBondContact O-N 3.17Å; R899-G903 PolarHBondContact O-N 2.75Å; R899-G903 VanDerWaalsContact O-N 3.09Å; R899-M983 HydrophobicContact CG-SD 3.87Å
900S97.9Very high95.5Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-65.6-40.8178.354.50000111.2R832 L896 F897 A902 G903 Y904 L929R832-S900 WeakPolarHBondContact O-CA 3.49Å; R832-S900 WeakPolarHBondContact O-CB 3.19Å; L896-S900 WeakPolarHBondContact O-CB 3.39Å; L896-S900 PolarHBondContact O-N 3.24Å; L896-S900 PolarHBondContact O-OG 3.4Å; F897-S900 PolarHBondContact O-OG 3.04Å; S900-A902 PolarHBondContact O-N 2.85Å; S900-G903 PolarHBondContact O-N 2.95Å; S900-Y904 WeakPolarHBondContact O-CD2 3.47Å; S900-Y904 PolarHBondContact O-N 3.19Å; S900-L929 WeakPolarHBondContact CB-O 3.45Å; S900-L929 PolarHBondContact OG-N 2.91Å
901C96.2Very high95.4Very high3 Ų317.5 Ų17.52%0.029%0.086CC..Hα-helixtrans-59-45.8173.4-171.40000111.7F897 G903 Y904 C905 F980F897-C901 HydrophobicContact CE1-CB 4.4Å; F897-C901 WeakPolarHBondContact O-CB 3.48Å; F897-C901 PolarHBondContact O-N 3.1Å; C901-G903 PolarHBondContact O-N 3.28Å; C901-Y904 PolarHBondContact O-N 3.23Å; C901-C905 WeakPolarHBondContact O-CB 3.26Å; C901-C905 PolarHBondContact O-N 2.91Å; C901-C905 PolarHBondContact O-SG 3.38Å; C901-F980 HydrophobicContact CB-CE2 4.19Å
902A95.8Very high95.1Very high0 Ų014 Ų140%07%0.069CC..Hα-helixtrans-60.6-44.2177.800000112.4L831 T898 R899 S900 C905 V906 F980 M983L831-A902 HydrophobicContact CD2-CB 4.2Å; T898-A902 WeakPolarHBondContact O-CB 3.39Å; T898-A902 PolarHBondContact O-N 3.01Å; R899-A902 PolarHBondContact O-N 3.17Å; S900-A902 PolarHBondContact O-N 2.85Å; A902-C905 WeakPolarHBondContact O-CB 3.17Å; A902-C905 PolarHBondContact O-N 2.99Å; A902-V906 WeakPolarHBondContact O-CG2 3.39Å; A902-V906 PolarHBondContact O-N 3Å; A902-F980 HydrophobicContact CB-CD2 3.95Å; A902-F980 HydrophobicContact CB-CE2 3.85Å; A902-M983 HydrophobicContact CB-CB 3.93Å
903G96.7Very high94.8Very high0 Ų07.9 Ų7.90%04%0.04CC..Hα-helixtrans-61.4-50.4176.200000112.8W824 R899 S900 C901 C905 V906 A907W824-G903 WeakPolarHBondContact CH2-O 3.42Å; R899-G903 PolarHBondContact O-N 2.75Å; R899-G903 VanDerWaalsContact O-N 3.09Å; S900-G903 PolarHBondContact O-N 2.95Å; C901-G903 PolarHBondContact O-N 3.28Å; G903-C905 VanDerWaalsContact C-N 3.33Å; G903-C905 PolarHBondContact O-N 3.29Å; G903-V906 PolarHBondContact O-N 3.38Å; G903-A907 WeakPolarHBondContact O-CB 3.21Å; G903-A907 PolarHBondContact O-N 2.88Å
904Y95.5Very high93.6Very high1 Ų18.5 Ų8.50%0.0045%0.047CC..Hα-helixtrans-64.3-36.2177.9-85.1-76.9000112.9I817 M833 L834 S900 C901 V906 A907 T908 L929 F930 H931 F934I817-Y904 HydrophobicContact CD1-CE1 4.16Å; M833-Y904 HydrophobicContact CE-CD1 3.63Å; M833-Y904 HydrophobicContact CE-CD2 3.68Å; M833-Y904 HydrophobicContact CE-CE1 3.68Å; M833-Y904 HydrophobicContact CE-CE2 3.72Å; M833-Y904 HydrophobicContact CE-CG 3.62Å; M833-Y904 HydrophobicContact SD-CD2 3.92Å; M833-Y904 HydrophobicContact SD-CE2 3.97Å; M833-Y904 HydrophobicContact SD-CG 4.38Å; L834-Y904 PolarHBondContact N-OH 3.38Å; L834-Y904 PolarHBondContact O-OH 3.36Å; S900-Y904 WeakPolarHBondContact O-CD2 3.47Å; S900-Y904 PolarHBondContact O-N 3.19Å; C901-Y904 PolarHBondContact O-N 3.23Å; Y904-V906 PolarHBondContact O-N 2.79Å; Y904-A907 PolarHBondContact O-N 3.07Å; Y904-T908 WeakPolarHBondContact O-CB 3.14Å; Y904-T908 WeakPolarHBondContact O-CG2 3.15Å; Y904-T908 PolarHBondContact O-N 2.88Å; Y904-T908 PolarHBondContact O-OG1 2.97Å; Y904-L929 HydrophobicContact CD2-CD2 4.21Å; Y904-L929 WeakPolarHBondContact CD2-O 3.49Å; Y904-L929 VanDerWaalsContact CE2-O 3.32Å; Y904-L929 WeakPolarHBondContact CE2-O 3.34Å; Y904-L929 HydrophobicContact CG-CD2 4.39Å; Y904-F930 VanDerWaalsContact CE2-CA 3.42Å; Y904-F930 HydrophobicContact CE2-CB 3.65Å; Y904-F930 WeakPolarHBondContact OH-CB 3.4Å; Y904-H931 HydrophobicContact CD1-CB 3.87Å; Y904-H931 AromaticContact CD1-CG 3.65Å; Y904-H931 AromaticContact CD1-ND1 3.84Å; Y904-H931 HydrophobicContact CE1-CB 3.92Å; Y904-F934 HydrophobicContact CE1-CZ 4.34Å
905C91.8Very high92.3Very high12 Ų1210 Ų108%0.0816%0.055CC..Hα-helixtrans-57.5-48174.8-80.80000112.7C901 A902 G903 T908 F909 F954C901-C905 WeakPolarHBondContact O-CB 3.26Å; C901-C905 PolarHBondContact O-N 2.91Å; C901-C905 PolarHBondContact O-SG 3.38Å; A902-C905 WeakPolarHBondContact O-CB 3.17Å; A902-C905 PolarHBondContact O-N 2.99Å; G903-C905 VanDerWaalsContact C-N 3.33Å; G903-C905 PolarHBondContact O-N 3.29Å; C905-T908 PolarHBondContact O-OG1 3.29Å; C905-F909 WeakPolarHBondContact O-CB 3.4Å; C905-F909 PolarHBondContact O-N 3.25Å; C905-F954 HydrophobicContact CB-CD2 4.01Å; C905-F954 HydrophobicContact CB-CE2 3.52Å; C905-F954 WeakPolarHBondContact SG-CE2 3.35Å
906V94.9Very high91.7Very high0 Ų09.1 Ų9.10%05%0.049CC..Hα-helixtrans-70.5-45.8179.4173.30000110.6W824 A902 G903 Y904 T908 F909 I910 C984 A987 F1039W824-V906 HydrophobicContact CZ2-CB 4.35Å; W824-V906 HydrophobicContact CZ2-CG1 3.99Å; A902-V906 WeakPolarHBondContact O-CG2 3.39Å; A902-V906 PolarHBondContact O-N 3Å; G903-V906 PolarHBondContact O-N 3.38Å; Y904-V906 PolarHBondContact O-N 2.79Å; V906-T908 PolarHBondContact O-N 3.32Å; V906-F909 PolarHBondContact O-N 2.88Å; V906-I910 HydrophobicContact CG1-CD1 3.59Å; V906-I910 HydrophobicContact CG1-CG1 4.44Å; V906-I910 WeakPolarHBondContact O-CG1 3.48Å; V906-I910 PolarHBondContact O-N 3.44Å; V906-C984 HydrophobicContact CG2-CB 3.96Å; V906-C984 WeakPolarHBondContact CG2-O 3.22Å; V906-A987 HydrophobicContact CB-CB 4.42Å; V906-A987 HydrophobicContact CG1-CB 4.3Å; V906-A987 HydrophobicContact CG2-CB 4.04Å; V906-F1039 HydrophobicContact CG2-CE1 4.42Å; V906-F1039 HydrophobicContact CG2-CZ 3.86Å
907A95.3Very high91Very high1 Ų19.7 Ų9.71%0.0085%0.05CC..Hα-helixtrans-60.4-47.9-179.900000112.3I817 M820 W824 M833 G903 Y904 F909 I910 L911I817-A907 HydrophobicContact CG1-CB 4.5Å; M820-A907 HydrophobicContact SD-CB 3.69Å; W824-A907 HydrophobicContact CH2-CB 4.34Å; M833-A907 HydrophobicContact CE-CB 4.08Å; G903-A907 WeakPolarHBondContact O-CB 3.21Å; G903-A907 PolarHBondContact O-N 2.88Å; Y904-A907 PolarHBondContact O-N 3.07Å; A907-F909 VanDerWaalsContact C-N 3.31Å; A907-F909 PolarHBondContact O-N 3.3Å; A907-I910 PolarHBondContact O-N 3.26Å; A907-L911 WeakPolarHBondContact O-CB 3.23Å; A907-L911 VanDerWaalsContact O-CG 3.29Å; A907-L911 WeakPolarHBondContact O-CG 3.35Å; A907-L911 PolarHBondContact O-N 3.44Å
908T91.7Very high90.4Very high5 Ų59.9 Ų9.93%0.0315%0.052CC..Hα-helixtrans-67.2-32.4179.854.40000113.1Y904 C905 V906 G912 I913 H931Y904-T908 WeakPolarHBondContact O-CB 3.14Å; Y904-T908 WeakPolarHBondContact O-CG2 3.15Å; Y904-T908 PolarHBondContact O-N 2.88Å; Y904-T908 PolarHBondContact O-OG1 2.97Å; C905-T908 PolarHBondContact O-OG1 3.29Å; V906-T908 PolarHBondContact O-N 3.32Å; T908-G912 WeakPolarHBondContact O-CA 3.38Å; T908-G912 PolarHBondContact O-N 2.53Å; T908-I913 HydrophobicContact CG2-CB 4.12Å; T908-I913 HydrophobicContact CG2-CD1 4.11Å; T908-I913 HydrophobicContact CG2-CG2 4.43Å; T908-I913 PolarHBondContact O-N 2.81Å; T908-I913 VanDerWaalsContact O-N 3.12Å; T908-H931 WeakPolarHBondContact CG2-ND1 3.24Å
909F91.1Very high89.8Confident6 Ų611.3 Ų11.33%0.0266%0.061CC..Hα-helixtrans-64.7-51.7175.2170.7-102.1000111.2C905 V906 A907 L911 G912 P953 Y988 T1025 Y1038 F1039 Q1042C905-F909 WeakPolarHBondContact O-CB 3.4Å; C905-F909 PolarHBondContact O-N 3.25Å; V906-F909 PolarHBondContact O-N 2.88Å; A907-F909 VanDerWaalsContact C-N 3.31Å; A907-F909 PolarHBondContact O-N 3.3Å; F909-L911 VanDerWaalsContact C-N 3.34Å; F909-L911 PolarHBondContact O-N 2.92Å; F909-G912 PolarHBondContact O-N 2.85Å; F909-P953 HydrophobicContact CD2-CB 4.21Å; F909-P953 HydrophobicContact CD2-CG 3.89Å; F909-P953 HydrophobicContact CE2-CG 4.18Å; F909-Y988 HydrophobicContact CE1-CE2 4.06Å; F909-T1025 WeakPolarHBondContact CE1-O 3.22Å; F909-Y1038 AromaticContact CZ-CE1 3.89Å; F909-Y1038 HydrophobicContact CZ-CE1 3.89Å; F909-F1039 HydrophobicContact CB-CE2 4.45Å; F909-F1039 AromaticContact CD1-CD2 3.68Å; F909-F1039 HydrophobicContact CD1-CD2 3.68Å; F909-F1039 AromaticContact CD1-CE2 3.59Å; F909-F1039 HydrophobicContact CD1-CE2 3.59Å; F909-F1039 AromaticContact CE1-CD2 3.57Å; F909-F1039 HydrophobicContact CE1-CD2 3.57Å; F909-F1039 AromaticContact CE1-CE2 3.99Å; F909-F1039 HydrophobicContact CE1-CE2 3.99Å; F909-F1039 HydrophobicContact CG-CD2 4.37Å; F909-F1039 AromaticContact CG-CE2 4Å; F909-F1039 HydrophobicContact CG-CE2 4Å; F909-F1039 HydrophobicContact CZ-CD2 4.16Å; F909-Q1042 HydrophobicContact CE2-CB 3.85Å; F909-Q1042 HydrophobicContact CE2-CG 3.91Å; F909-Q1042 HydrophobicContact CZ-CB 4.2Å; F909-Q1042 HydrophobicContact CZ-CG 4Å
910I93.6Very high89.4Confident2 Ų28.6 Ų8.61%0.015%0.052CC..Hα-helixtrans-63.5-42.3-177.8-66.1168000110.9M820 V906 A907 G912 Y988 I991 T1025 L1026M820-I910 HydrophobicContact CE-CB 4.4Å; M820-I910 HydrophobicContact CE-CG2 4.12Å; V906-I910 HydrophobicContact CG1-CD1 3.59Å; V906-I910 HydrophobicContact CG1-CG1 4.44Å; V906-I910 WeakPolarHBondContact O-CG1 3.48Å; V906-I910 PolarHBondContact O-N 3.44Å; A907-I910 PolarHBondContact O-N 3.26Å; I910-G912 VanDerWaalsContact C-N 3.33Å; I910-Y988 HydrophobicContact CD1-CD2 4.24Å; I910-Y988 HydrophobicContact CG1-CD2 4.35Å; I910-I991 HydrophobicContact CD1-CB 3.9Å; I910-I991 HydrophobicContact CD1-CG1 4.26Å; I910-I991 HydrophobicContact CD1-CG2 3.71Å; I910-T1025 PolarHBondContact O-OG1 3.48Å; I910-L1026 HydrophobicContact CD1-CD2 3.78Å; I910-L1026 HydrophobicContact CG1-CD2 3.88Å; I910-L1026 HydrophobicContact CG2-CD1 4.46Å; I910-L1026 HydrophobicContact CG2-CD2 4.08Å; I910-L1026 HydrophobicContact CG2-CG 4.18Å
911L92.9Very high89.2Confident2 Ų28.7 Ų8.71%0.015%0.052CC..Hα-helixtrans-83-9.1-177.7-61.7178.4000113.7T813 I816 M820 A907 F909 I913 L938 F1002T813-L911 HydrophobicContact CG2-CD1 4.22Å; I816-L911 HydrophobicContact CB-CD1 4.46Å; I816-L911 HydrophobicContact CG2-CD1 3.99Å; I816-L911 HydrophobicContact CG2-CD2 3.85Å; I816-L911 HydrophobicContact CG2-CG 4.48Å; M820-L911 HydrophobicContact CE-CD1 4.31Å; M820-L911 HydrophobicContact CE-CD2 4.12Å; M820-L911 HydrophobicContact CE-CG 4.07Å; A907-L911 WeakPolarHBondContact O-CB 3.23Å; A907-L911 VanDerWaalsContact O-CG 3.29Å; A907-L911 WeakPolarHBondContact O-CG 3.35Å; A907-L911 PolarHBondContact O-N 3.44Å; F909-L911 VanDerWaalsContact C-N 3.34Å; F909-L911 PolarHBondContact O-N 2.92Å; L911-I913 VanDerWaalsContact C-N 3.27Å; L911-I913 HydrophobicContact CB-CD1 3.84Å; L911-I913 HydrophobicContact CB-CG1 3.79Å; L911-I913 HydrophobicContact CD1-CD1 3.9Å; L911-I913 PolarHBondContact O-N 2.9Å; L911-L938 PolarHBondContact O-N 3.48Å; L911-F1002 HydrophobicContact CD2-CE2 4.03Å; L911-F1002 HydrophobicContact CD2-CZ 3.96Å
912G89.1Confident89.2Confident7 Ų79.7 Ų9.77%0.0726%0.057CC..THydrogen-bonded Turntrans62.933.9-179.800000113.4T908 F909 I910 G914 Y1021T908-G912 WeakPolarHBondContact O-CA 3.38Å; T908-G912 PolarHBondContact O-N 2.53Å; F909-G912 PolarHBondContact O-N 2.85Å; I910-G912 VanDerWaalsContact C-N 3.33Å; G912-G914 PolarHBondContact O-N 3.5Å; G912-Y1021 VanDerWaalsContact CA-CE1 3.41Å; G912-Y1021 VanDerWaalsContact CA-OH 3.28Å; G912-Y1021 WeakPolarHBondContact CA-OH 3.35Å
913I86.6Confident89.3Confident3 Ų39.7 Ų9.72%0.0156%0.057CC..  trans-71.9116-178.8-63.7164.7000109T813 T908 L911 F934T813-I913 HydrophobicContact CG2-CD1 3.55Å; T813-I913 HydrophobicContact CG2-CG1 4.42Å; T908-I913 HydrophobicContact CG2-CB 4.12Å; T908-I913 HydrophobicContact CG2-CD1 4.11Å; T908-I913 HydrophobicContact CG2-CG2 4.43Å; T908-I913 PolarHBondContact O-N 2.81Å; T908-I913 VanDerWaalsContact O-N 3.12Å; L911-I913 VanDerWaalsContact C-N 3.27Å; L911-I913 HydrophobicContact CB-CD1 3.84Å; L911-I913 HydrophobicContact CB-CG1 3.79Å; L911-I913 HydrophobicContact CD1-CD1 3.9Å; L911-I913 PolarHBondContact O-N 2.9Å; I913-F934 HydrophobicContact CD1-CD1 3.84Å; I913-F934 HydrophobicContact CD1-CE1 4.18Å; I913-F934 HydrophobicContact CG2-CD1 3.97Å
914G71.5Confident89.4Confident14 Ų1411.1 Ų11.114%0.1446%0.063CC..  trans-87.3-176.2-179.200000115.5G912 R916 E950G912-G914 PolarHBondContact O-N 3.5Å; G914-R916 VanDerWaalsContact C-N 3.3Å; G914-R916 VanDerWaalsContact O-CZ 3.28Å; G914-R916 PolarHBondContact O-N 3.01Å; G914-R916 PolarHBondContact O-NE 2.84Å; G914-R916 PolarHBondContact O-NH2 2.87Å; G914-E950 WeakPolarHBondContact CA-OE2 3.48Å
915D71.8Confident89.4Confident36 Ų3613 Ų1319%0.1937%0.073CC..  trans5533172.9-146.8-0.9000114.4H917 N920 R949 E950D915-H917 PolarHBondContact O-N 2.88Å; D915-H917 IonicContact OD1-CD2 3.03Å; D915-H917 PolarHBondContact OD1-CD2 3.09Å; D915-H917 IonicContact OD1-NE2 2.74Å; D915-N920 PolarHBondContact O-ND2 2.9Å; D915-N920 PolarHBondContact O-OD1 2.94Å; D915-R949 IonicContact OD2-NH1 3.4Å; D915-E950 WeakPolarHBondContact CA-OE1 3.27Å; D915-E950 WeakPolarHBondContact CB-OE1 3.16Å; D915-E950 PolarHBondContact N-OE1 3Å; D915-E950 PolarHBondContact N-OE2 3.09Å
916R83.5Confident89.7Confident24 Ų2414.9 Ų14.99%0.0918%0.082CC..  trans-71.8114.2178.9-62.9-54.488.9178.35.9110.8G914 N920 I921 I932 D933 V955G914-R916 VanDerWaalsContact C-N 3.3Å; G914-R916 VanDerWaalsContact O-CZ 3.28Å; G914-R916 PolarHBondContact O-N 3.01Å; G914-R916 PolarHBondContact O-NE 2.84Å; G914-R916 PolarHBondContact O-NH2 2.87Å; R916-N920 PolarHBondContact NH2-ND2 2.89Å; R916-I921 HydrophobicContact CB-CD1 4.41Å; R916-I932 PolarHBondContact NH1-O 3.36Å; R916-D933 PolarHBondContact NH1-O 3.16Å; R916-D933 PolarHBondContact NH2-O 3.14Å; R916-V955 HydrophobicContact CB-CB 4.41Å; R916-V955 HydrophobicContact CB-CG2 4.1Å
917H82.1Confident89.8Confident27 Ų2714.9 Ų14.913%0.1258%0.082CC..  trans-148.3171.1-176.660.628.6000111.8D915 S919 N920 I921 H1060D915-H917 PolarHBondContact O-N 2.88Å; D915-H917 IonicContact OD1-CD2 3.03Å; D915-H917 PolarHBondContact OD1-CD2 3.09Å; D915-H917 IonicContact OD1-NE2 2.74Å; H917-S919 PolarHBondContact ND1-N 2.89Å; H917-S919 PolarHBondContact O-N 2.93Å; H917-N920 VanDerWaalsContact CE1-CG 3.42Å; H917-N920 PolarHBondContact CE1-ND2 3.46Å; H917-N920 PolarHBondContact N-OD1 3.06Å; H917-N920 VanDerWaalsContact ND1-CG 3.29Å; H917-N920 PolarHBondContact ND1-N 2.89Å; H917-N920 PolarHBondContact ND1-OD1 2.91Å; H917-N920 PolarHBondContact O-N 2.98Å; H917-N920 PolarHBondContact O-OD1 3.5Å; H917-I921 PolarHBondContact O-N 2.93Å; H917-H1060 AromaticContact CD2-CE1 3.85Å; H917-H1060 AromaticContact NE2-CE1 3.98Å
918N85.1Confident89.9Confident5 Ų515.4 Ų15.43%0.0279%0.085CC..THydrogen-bonded Turntrans-62.3-13.4-170.7-64.5-5.7000115T856 I857 M858 Q861 W1057T856-N918 WeakPolarHBondContact CB-O 3.4Å; I857-N918 HydrophobicContact CB-CB 3.87Å; I857-N918 HydrophobicContact CG2-CB 3.95Å; I857-N918 PolarHBondContact N-O 3.4Å; I857-N918 VanDerWaalsContact N-O 3.13Å; M858-N918 HydrophobicContact CB-CB 4.15Å; M858-N918 WeakPolarHBondContact CB-O 3.4Å; M858-N918 HydrophobicContact CE-CB 4.37Å; M858-N918 PolarHBondContact N-O 3.02Å; Q861-N918 PolarHBondContact NE2-ND2 3.46Å; Q861-N918 PolarHBondContact OE1-ND2 3.07Å; N918-W1057 WeakPolarHBondContact OD1-CH2 3.28Å; N918-W1057 VanDerWaalsContact OD1-CZ2 3.22Å; N918-W1057 WeakPolarHBondContact OD1-CZ2 3.3Å
919S84.6Confident90.2Very high30 Ų3015.3 Ų15.321%0.218%0.084CC..THydrogen-bonded Turntrans-91.3-12.1176.6-62.70000114.8T856 H917T856-S919 WeakPolarHBondContact CG2-O 3.49Å; H917-S919 PolarHBondContact ND1-N 2.89Å; H917-S919 PolarHBondContact O-N 2.93Å
920N89.9Confident90.5Very high3 Ų315 Ų152%0.0168%0.083CC..THydrogen-bonded Turntrans-126.214178.767.4-0.2000113.6D915 R916 H917 I932 D933D915-N920 PolarHBondContact O-ND2 2.9Å; D915-N920 PolarHBondContact O-OD1 2.94Å; R916-N920 PolarHBondContact NH2-ND2 2.89Å; H917-N920 VanDerWaalsContact CE1-CG 3.42Å; H917-N920 PolarHBondContact CE1-ND2 3.46Å; H917-N920 PolarHBondContact N-OD1 3.06Å; H917-N920 VanDerWaalsContact ND1-CG 3.29Å; H917-N920 PolarHBondContact ND1-N 2.89Å; H917-N920 PolarHBondContact ND1-OD1 2.91Å; H917-N920 PolarHBondContact O-N 2.98Å; H917-N920 PolarHBondContact O-OD1 3.5Å; N920-I932 HydrophobicContact CB-CG1 3.98Å; N920-I932 WeakPolarHBondContact O-CG1 3.13Å; N920-I932 PolarHBondContact O-N 3.04Å; N920-D933 HydrophobicContact CB-CB 4.23Å
921I93.4Very high90.5Very high2 Ų215.6 Ų15.61%0.019%0.085CC..EExtended strand (participates in β ladder)trans-111.8129.5164-58173.9000106.7T856 I857 R916 H917 L929 F960T856-I921 WeakPolarHBondContact CA-O 3.44Å; I857-I921 HydrophobicContact CD1-CG2 4.41Å; I857-I921 HydrophobicContact CG1-CB 4.02Å; I857-I921 HydrophobicContact CG1-CG2 3.9Å; I857-I921 PolarHBondContact N-O 2.83Å; R916-I921 HydrophobicContact CB-CD1 4.41Å; H917-I921 PolarHBondContact O-N 2.93Å; I921-L929 HydrophobicContact CG2-CD1 4.01Å; I921-L929 HydrophobicContact CG2-CD2 4.29Å; I921-L929 HydrophobicContact CG2-CG 4.06Å; I921-F960 HydrophobicContact CD1-CE2 4.05Å; I921-F960 HydrophobicContact CD1-CZ 3.89Å; I921-F960 HydrophobicContact CG2-CZ 4.03Å
922M96.7Very high90.6Very high24 Ų2417.5 Ų17.512%0.11810%0.095CC..EExtended strand (participates in β ladder)trans-122.3151.3-177.9-63.8-169.180.200111.2S854 H855 T856 L929 F930 I932S854-M922 WeakPolarHBondContact OG-CE 3.43Å; H855-M922 CarbonylContact O-C 3.59Å; H855-M922 VanDerWaalsContact O-CA 3.24Å; H855-M922 WeakPolarHBondContact O-CA 3.47Å; T856-M922 HydrophobicContact CG2-CE 4.24Å; T856-M922 HydrophobicContact CG2-CG 3.94Å; T856-M922 HydrophobicContact CG2-SD 4.42Å; M922-L929 WeakPolarHBondContact O-CA 3.36Å; M922-F930 HydrophobicContact CB-CD1 3.99Å; M922-F930 HydrophobicContact CB-CD2 4.35Å; M922-F930 HydrophobicContact CB-CE1 3.44Å; M922-F930 VanDerWaalsContact CB-CE1 3.44Å; M922-F930 HydrophobicContact CB-CE2 3.86Å; M922-F930 HydrophobicContact CB-CG 4.41Å; M922-F930 HydrophobicContact CB-CZ 3.37Å; M922-F930 HydrophobicContact CE-CZ 4.36Å; M922-F930 HydrophobicContact CG-CE2 4.29Å; M922-F930 HydrophobicContact CG-CZ 4.06Å; M922-F930 PolarHBondContact N-O 3.1Å; M922-F930 PolarHBondContact O-N 2.93Å; M922-F930 HydrophobicContact SD-CE2 3.88Å; M922-F930 HydrophobicContact SD-CZ 3.66Å; M922-I932 HydrophobicContact CG-CD1 4.14Å; M922-I932 HydrophobicContact CG-CG1 4.31Å; M922-I932 HydrophobicContact CG-CG2 4.34Å; M922-I932 HydrophobicContact SD-CD1 3.76Å; M922-I932 HydrophobicContact SD-CG1 4.33Å; M922-I932 HydrophobicContact SD-CG2 3.85Å
923V97.8Very high90.5Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-131.2132.6175.7-177.80000108.6S854 H855 I857 I860 L877 W880 L881 F897 Q928 L929S854-V923 WeakPolarHBondContact CA-O 3.47Å; H855-V923 PolarHBondContact N-O 3.23Å; H855-V923 PolarHBondContact O-N 3.34Å; I857-V923 HydrophobicContact CD1-CG2 3.47Å; I857-V923 VanDerWaalsContact CD1-CG2 3.47Å; I860-V923 HydrophobicContact CD1-CB 4.27Å; L877-V923 HydrophobicContact CD1-CG2 4.35Å; W880-V923 HydrophobicContact CZ3-CB 4.48Å; W880-V923 HydrophobicContact CZ3-CG1 3.94Å; L881-V923 HydrophobicContact CD1-CG1 3.8Å; F897-V923 HydrophobicContact CD2-CG1 4.33Å; F897-V923 HydrophobicContact CE2-CG2 3.99Å; V923-Q928 WeakPolarHBondContact CA-O 3.5Å; V923-L929 HydrophobicContact CG2-CB 4.37Å; V923-L929 HydrophobicContact CG2-CD1 4.33Å; V923-L929 HydrophobicContact CG2-CG 4.36Å
924K98Very high90.6Very high29 Ų2921 Ų2113%0.12611%0.112CC..EExtended strand (participates in β ladder)trans-80.5156.9173.1-74.1174.260.6-1180111L834 V851 N853 D926 G927 Q928 F930L834-K924 HydrophobicContact CD1-CD 3.59Å; V851-K924 HydrophobicContact CG1-CD 3.83Å; V851-K924 HydrophobicContact CG1-CG 4.17Å; N853-K924 WeakPolarHBondContact O-CA 3.48Å; K924-D926 WeakPolarHBondContact CB-OD1 3.3Å; K924-D926 IonicContact NZ-OD1 2.72Å; K924-D926 PolarHBondContact NZ-OD1 3.36Å; K924-D926 IonicContact NZ-OD2 3.24Å; K924-D926 PolarHBondContact NZ-OD2 3.36Å; K924-D926 PolarHBondContact O-N 3.13Å; K924-D926 VanDerWaalsContact O-N 3.11Å; K924-G927 PolarHBondContact O-N 2.88Å; K924-Q928 HydrophobicContact CB-CB 4.25Å; K924-Q928 HydrophobicContact CD-CB 4.21Å; K924-Q928 PolarHBondContact N-O 3.14Å; K924-F930 HydrophobicContact CD-CE1 4.44Å; K924-F930 HydrophobicContact CG-CD1 4.47Å; K924-F930 HydrophobicContact CG-CE1 3.97Å
925D97.1Very high90.7Very high40 Ų4021.1 Ų21.121%0.21411%0.113CC..THydrogen-bonded Turntrans-54.8-29.9177.3-78.24.8000113.1N853 H855 W880 K884 N885 G927N853-D925 HydrophobicContact CB-CB 4.48Å; N853-D925 PolarHBondContact O-N 2.81Å; H855-D925 IonicContact CE1-OD1 3.93Å; H855-D925 IonicContact ND1-OD1 2.72Å; W880-D925 WeakPolarHBondContact CH2-OD1 3.41Å; W880-D925 VanDerWaalsContact CZ2-OD1 3.26Å; W880-D925 WeakPolarHBondContact CZ2-OD1 3.38Å; K884-D925 HydrophobicContact CD-CB 4.31Å; K884-D925 WeakPolarHBondContact CE-OD1 3.46Å; K884-D925 VanDerWaalsContact NZ-CG 3.35Å; K884-D925 IonicContact NZ-OD1 3.01Å; K884-D925 PolarHBondContact NZ-OD1 3Å; K884-D925 IonicContact NZ-OD2 2.61Å; K884-D925 PolarHBondContact NZ-OD2 2.94Å; N885-D925 PolarHBondContact ND2-O 3.2Å; N885-D925 PolarHBondContact OD1-O 2.97Å; D925-G927 VanDerWaalsContact C-N 3.27Å; D925-G927 PolarHBondContact O-N 2.84Å
926D96.3Very high91.2Very high52 Ų5222.3 Ų22.328%0.27812%0.118SC..THydrogen-bonded Turntrans-80.6-017763.32.2000114.5A893 L896 K924 Q928A893-D926 WeakPolarHBondContact CA-O 3.45Å; A893-D926 WeakPolarHBondContact CB-O 3.42Å; L896-D926 HydrophobicContact CD2-CB 4.36Å; K924-D926 WeakPolarHBondContact CB-OD1 3.3Å; K924-D926 IonicContact NZ-OD1 2.72Å; K924-D926 PolarHBondContact NZ-OD1 3.36Å; K924-D926 IonicContact NZ-OD2 3.24Å; K924-D926 PolarHBondContact NZ-OD2 3.36Å; K924-D926 PolarHBondContact O-N 3.13Å; K924-D926 VanDerWaalsContact O-N 3.11Å; D926-Q928 WeakPolarHBondContact OD1-CB 3.44Å; D926-Q928 PolarHBondContact OD1-N 2.7Å; D926-Q928 VanDerWaalsContact OD1-N 3.17Å
927G97Very high91.4Very high0 Ų021.2 Ų21.20%011%0.114CC..SBendtrans95.4-5.1179.300000115.4F897 K924 D925 L929F897-G927 WeakPolarHBondContact CA-O 3.33Å; F897-G927 VanDerWaalsContact CB-O 3.22Å; F897-G927 WeakPolarHBondContact CB-O 3.48Å; F897-G927 WeakPolarHBondContact CD2-O 3.39Å; F897-G927 PolarHBondContact N-O 2.86Å; K924-G927 PolarHBondContact O-N 2.88Å; D925-G927 VanDerWaalsContact C-N 3.27Å; D925-G927 PolarHBondContact O-N 2.84Å; G927-L929 PolarHBondContact O-N 2.86Å
928Q98.1Very high91.6Very high13 Ų1320.3 Ų20.36%0.06111%0.11CC..  trans-67.8120.6178.4-168.517710.600111.5M833 L896 V923 K924 D926M833-Q928 PolarHBondContact O-NE2 3.12Å; L896-Q928 HydrophobicContact CD1-CB 4.3Å; L896-Q928 HydrophobicContact CD1-CG 4.28Å; L896-Q928 HydrophobicContact CD2-CB 3.87Å; L896-Q928 HydrophobicContact CG-CB 3.93Å; L896-Q928 HydrophobicContact CG-CG 4.43Å; V923-Q928 WeakPolarHBondContact CA-O 3.5Å; K924-Q928 HydrophobicContact CB-CB 4.25Å; K924-Q928 HydrophobicContact CD-CB 4.21Å; K924-Q928 PolarHBondContact N-O 3.14Å; D926-Q928 WeakPolarHBondContact OD1-CB 3.44Å; D926-Q928 PolarHBondContact OD1-N 2.7Å; D926-Q928 VanDerWaalsContact OD1-N 3.17Å
929L97.7Very high91Very high2 Ų222.3 Ų22.31%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-88.4141.6173.7-177.6147.9000110.3F897 S900 Y904 I921 M922 V923 G927 F960F897-L929 HydrophobicContact CD2-CB 4.24Å; F897-L929 HydrophobicContact CD2-CD1 4.48Å; F897-L929 HydrophobicContact CE2-CB 4.2Å; F897-L929 HydrophobicContact CE2-CD1 3.67Å; F897-L929 HydrophobicContact CZ-CD1 3.7Å; S900-L929 WeakPolarHBondContact CB-O 3.45Å; S900-L929 PolarHBondContact OG-N 2.91Å; Y904-L929 HydrophobicContact CD2-CD2 4.21Å; Y904-L929 WeakPolarHBondContact CD2-O 3.49Å; Y904-L929 VanDerWaalsContact CE2-O 3.32Å; Y904-L929 WeakPolarHBondContact CE2-O 3.34Å; Y904-L929 HydrophobicContact CG-CD2 4.39Å; I921-L929 HydrophobicContact CG2-CD1 4.01Å; I921-L929 HydrophobicContact CG2-CD2 4.29Å; I921-L929 HydrophobicContact CG2-CG 4.06Å; M922-L929 WeakPolarHBondContact O-CA 3.36Å; V923-L929 HydrophobicContact CG2-CB 4.37Å; V923-L929 HydrophobicContact CG2-CD1 4.33Å; V923-L929 HydrophobicContact CG2-CG 4.36Å; G927-L929 PolarHBondContact O-N 2.86Å; L929-F960 HydrophobicContact CD1-CE1 4.43Å; L929-F960 HydrophobicContact CD1-CZ 4.43Å
930F97.6Very high90.3Very high1 Ų123.8 Ų23.80%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-152159.1171.668.1-76.2000112.4L834 Y836 V851 Y904 M922 K924 I932L834-F930 HydrophobicContact CB-CB 3.76Å; L834-F930 HydrophobicContact CB-CG 4.12Å; L834-F930 HydrophobicContact CD1-CB 4.49Å; L834-F930 HydrophobicContact CD1-CD1 3.92Å; L834-F930 HydrophobicContact CD1-CE1 4.26Å; L834-F930 HydrophobicContact CD1-CG 4.07Å; Y836-F930 HydrophobicContact CD1-CD2 4.42Å; V851-F930 HydrophobicContact CB-CE1 4.5Å; V851-F930 HydrophobicContact CB-CE2 4.16Å; V851-F930 HydrophobicContact CB-CZ 3.74Å; V851-F930 HydrophobicContact CG1-CE1 4.04Å; V851-F930 HydrophobicContact CG1-CE2 4.46Å; V851-F930 HydrophobicContact CG1-CZ 3.78Å; V851-F930 HydrophobicContact CG2-CE2 3.88Å; V851-F930 HydrophobicContact CG2-CZ 3.99Å; Y904-F930 VanDerWaalsContact CE2-CA 3.42Å; Y904-F930 HydrophobicContact CE2-CB 3.65Å; Y904-F930 WeakPolarHBondContact OH-CB 3.4Å; M922-F930 HydrophobicContact CB-CD1 3.99Å; M922-F930 HydrophobicContact CB-CD2 4.35Å; M922-F930 HydrophobicContact CB-CE1 3.44Å; M922-F930 VanDerWaalsContact CB-CE1 3.44Å; M922-F930 HydrophobicContact CB-CE2 3.86Å; M922-F930 HydrophobicContact CB-CG 4.41Å; M922-F930 HydrophobicContact CB-CZ 3.37Å; M922-F930 HydrophobicContact CE-CZ 4.36Å; M922-F930 HydrophobicContact CG-CE2 4.29Å; M922-F930 HydrophobicContact CG-CZ 4.06Å; M922-F930 PolarHBondContact N-O 3.1Å; M922-F930 PolarHBondContact O-N 2.93Å; M922-F930 HydrophobicContact SD-CE2 3.88Å; M922-F930 HydrophobicContact SD-CZ 3.66Å; K924-F930 HydrophobicContact CD-CE1 4.44Å; K924-F930 HydrophobicContact CG-CD1 4.47Å; K924-F930 HydrophobicContact CG-CE1 3.97Å; F930-I932 HydrophobicContact CD2-CG2 3.94Å; F930-I932 HydrophobicContact CE2-CG2 3.59Å
931H94.6Very high89.1Confident13 Ų1325.8 Ų25.86%0.0613%0.132CC..EExtended strand (participates in β ladder)trans-103.1149.7179.3-66.4-176000110.4Y836 Y904 T908 F934Y836-H931 WeakPolarHBondContact CE1-O 3.31Å; Y904-H931 HydrophobicContact CD1-CB 3.87Å; Y904-H931 AromaticContact CD1-CG 3.65Å; Y904-H931 AromaticContact CD1-ND1 3.84Å; Y904-H931 HydrophobicContact CE1-CB 3.92Å; T908-H931 WeakPolarHBondContact CG2-ND1 3.24Å; H931-F934 HydrophobicContact CB-CE1 3.63Å; H931-F934 HydrophobicContact CB-CZ 3.8Å; H931-F934 WeakPolarHBondContact O-CZ 3.42Å
932I93.9Very high87.2Confident42 Ų4231.3 Ų31.322%0.21516%0.156CC..  trans-127.4171.1173.260.6165000110Y836 R916 N920 M922 F930Y836-I932 HydrophobicContact CE1-CB 4.49Å; Y836-I932 HydrophobicContact CE1-CG2 3.81Å; Y836-I932 WeakPolarHBondContact OH-CA 3.2Å; R916-I932 PolarHBondContact NH1-O 3.36Å; N920-I932 HydrophobicContact CB-CG1 3.98Å; N920-I932 WeakPolarHBondContact O-CG1 3.13Å; N920-I932 PolarHBondContact O-N 3.04Å; M922-I932 HydrophobicContact CG-CD1 4.14Å; M922-I932 HydrophobicContact CG-CG1 4.31Å; M922-I932 HydrophobicContact CG-CG2 4.34Å; M922-I932 HydrophobicContact SD-CD1 3.76Å; M922-I932 HydrophobicContact SD-CG1 4.33Å; M922-I932 HydrophobicContact SD-CG2 3.85Å; F930-I932 HydrophobicContact CD2-CG2 3.94Å; F930-I932 HydrophobicContact CE2-CG2 3.59Å
933D88.4Confident84.8Confident84 Ų8438.1 Ų38.145%0.44919%0.185SC..  trans58.172.6174.3-165.416.4000112R916 N920R916-D933 PolarHBondContact NH1-O 3.16Å; R916-D933 PolarHBondContact NH2-O 3.14Å; N920-D933 HydrophobicContact CB-CB 4.23Å
934F87.6Confident82Confident0 Ų044.3 Ų44.30%021%0.212CC..  trans-93.35.4-172.6-64.7-68.8000114.2D810 T813 L814 I817 Y836 Y904 I913 H931 H936D810-F934 PolarHBondContact OD1-N 3.4Å; T813-F934 HydrophobicContact CG2-CB 3.8Å; T813-F934 HydrophobicContact CG2-CD1 3.7Å; T813-F934 HydrophobicContact CG2-CD2 4.13Å; T813-F934 HydrophobicContact CG2-CE1 4.25Å; T813-F934 HydrophobicContact CG2-CG 3.62Å; L814-F934 HydrophobicContact CD2-CD2 4.3Å; L814-F934 HydrophobicContact CD2-CE2 3.67Å; L814-F934 HydrophobicContact CG-CD2 4.13Å; L814-F934 HydrophobicContact CG-CE2 4Å; I817-F934 HydrophobicContact CD1-CE1 3.95Å; I817-F934 HydrophobicContact CD1-CE2 4.28Å; I817-F934 HydrophobicContact CD1-CZ 3.68Å; Y836-F934 HydrophobicContact CE1-CE2 4.01Å; Y836-F934 WeakPolarHBondContact OH-CE2 3.32Å; Y904-F934 HydrophobicContact CE1-CZ 4.34Å; I913-F934 HydrophobicContact CD1-CD1 3.84Å; I913-F934 HydrophobicContact CD1-CE1 4.18Å; I913-F934 HydrophobicContact CG2-CD1 3.97Å; H931-F934 HydrophobicContact CB-CE1 3.63Å; H931-F934 HydrophobicContact CB-CZ 3.8Å; H931-F934 WeakPolarHBondContact O-CZ 3.42Å; F934-H936 CarbonylContact O-C 3.54Å; F934-H936 PolarHBondContact O-N 3.01Å
935G73.7Confident79.2Confident17 Ų1751.9 Ų51.918%0.17525%0.245CC..  trans-61.318.5-164.100000118.3Q809Q809-G935 VanDerWaalsContact OE1-C 3.23Å; Q809-G935 PolarHBondContact OE1-O 3.17Å
936H82.4Confident76.4Confident61 Ų6153.3 Ų53.328%0.28227%0.27SS..  trans-141.1132.2161.6-57.4-66.1000111.8F934 K942 E1012F934-H936 CarbonylContact O-C 3.54Å; F934-H936 PolarHBondContact O-N 3.01Å; H936-K942 WeakPolarHBondContact NE2-CE 3.45Å; H936-K942 PolarHBondContact NE2-NZ 3.18Å; H936-E1012 WeakPolarHBondContact CA-OE2 3.47Å; H936-E1012 IonicContact CE1-OE1 2.83Å; H936-E1012 IonicContact CG-OE1 3.69Å; H936-E1012 IonicContact ND1-OE1 3.2Å; H936-E1012 PolarHBondContact ND1-OE1 2.95Å
937F87.4Confident73.7Confident1 Ų159.6 Ų59.60%0.00429%0.291CS..  trans-137.7173.2176.158.4-121.8000113.6Q809 L812 D939 H940 F1002 M1010 E1012 L1013Q809-F937 HydrophobicContact CB-CD1 4.23Å; Q809-F937 HydrophobicContact CB-CE1 3.77Å; Q809-F937 HydrophobicContact CG-CE1 3.94Å; Q809-F937 HydrophobicContact CG-CZ 4.43Å; L812-F937 HydrophobicContact CD2-CE1 4.29Å; L812-F937 HydrophobicContact CD2-CZ 4.11Å; F937-D939 PolarHBondContact O-N 3.38Å; F937-H940 WeakPolarHBondContact O-CB 3.32Å; F937-H940 PolarHBondContact O-N 3.39Å; F937-H940 PolarHBondContact O-ND1 2.76Å; F937-F1002 HydrophobicContact CD2-CE1 4.39Å; F937-F1002 HydrophobicContact CE2-CE1 4.08Å; F937-F1002 HydrophobicContact CZ-CE1 4.27Å; F937-M1010 HydrophobicContact CZ-CE 4.3Å; F937-M1010 HydrophobicContact CZ-SD 4.28Å; F937-E1012 HydrophobicContact CD2-CB 4.34Å; F937-E1012 HydrophobicContact CE2-CB 4.12Å; F937-E1012 PolarHBondContact N-OE2 3.24Å; F937-L1013 HydrophobicContact CE2-CB 4.16Å; F937-L1013 HydrophobicContact CZ-CB 4.37Å
938L85.9Confident71.4Confident8 Ų865.1 Ų65.14%0.04232%0.315CS..THydrogen-bonded Turntrans58.335.9175.6-55.7171.6000115.5L911 H940 F1002 L1013 D1018 Y1021 I1022L911-L938 PolarHBondContact O-N 3.48Å; L938-H940 VanDerWaalsContact C-N 3.3Å; L938-H940 PolarHBondContact O-N 2.93Å; L938-F1002 HydrophobicContact CD1-CD1 4.08Å; L938-F1002 HydrophobicContact CD1-CE1 4.08Å; L938-L1013 HydrophobicContact CD1-CD1 4.04Å; L938-D1018 HydrophobicContact CD1-CB 4.45Å; L938-Y1021 HydrophobicContact CB-CD1 4.4Å; L938-Y1021 HydrophobicContact CB-CG 4.42Å; L938-Y1021 HydrophobicContact CD2-CD1 3.94Å; L938-Y1021 HydrophobicContact CD2-CG 4.45Å; L938-I1022 HydrophobicContact CD2-CD1 3.77Å; L938-I1022 HydrophobicContact CD2-CG1 3.55Å
939D72.1Confident68.8Low47 Ų4768.4 Ų68.425%0.25133%0.327SS..THydrogen-bonded Turntrans66.518.6-177.7-159.153.3000115.8F937 K941 K948 Y1021F937-D939 PolarHBondContact O-N 3.38Å; D939-K941 PolarHBondContact O-N 3.06Å; D939-K941 WeakPolarHBondContact OD1-CD 3.31Å; D939-K941 WeakPolarHBondContact OD1-CE 3.19Å; D939-K941 IonicContact OD1-NZ 3.7Å; D939-K941 PolarHBondContact OD1-NZ 2.94Å; D939-K948 IonicContact OD2-NZ 3.36Å; D939-K948 PolarHBondContact OD2-NZ 3.35Å; D939-Y1021 HydrophobicContact CB-CD2 3.67Å; D939-Y1021 HydrophobicContact CB-CE2 3.46Å; D939-Y1021 VanDerWaalsContact CB-CE2 3.46Å
940H71.6Confident66.6Low61 Ų6170.1 Ų70.128%0.28234%0.335SS..  trans-70.573167-73.888.7000111.5F937 L938 E1012 D1018F937-H940 WeakPolarHBondContact O-CB 3.32Å; F937-H940 PolarHBondContact O-N 3.39Å; F937-H940 PolarHBondContact O-ND1 2.76Å; L938-H940 VanDerWaalsContact C-N 3.3Å; L938-H940 PolarHBondContact O-N 2.93Å; H940-E1012 HydrophobicContact CB-CB 4.18Å; H940-E1012 HydrophobicContact CB-CG 3.68Å; H940-E1012 WeakPolarHBondContact CB-OE2 3.35Å; H940-E1012 PolarHBondContact CE1-O 2.88Å; H940-E1012 IonicContact CG-OE2 2.73Å; H940-E1012 PolarHBondContact ND1-O 3.12Å; H940-D1018 IonicContact CE1-OD1 2.88Å; H940-D1018 IonicContact NE2-OD1 3.55Å
941K64.1Low64.4Low45 Ų4579.9 Ų79.920%0.19637%0.371CS..PPolyproline II helixtrans-83.6136.7-179.8-72172.5176.1154.80111.6D939 K943 E950D939-K941 PolarHBondContact O-N 3.06Å; D939-K941 WeakPolarHBondContact OD1-CD 3.31Å; D939-K941 WeakPolarHBondContact OD1-CE 3.19Å; D939-K941 IonicContact OD1-NZ 3.7Å; D939-K941 PolarHBondContact OD1-NZ 2.94Å; K941-K943 PolarHBondContact O-N 2.93Å; K941-K943 VanDerWaalsContact O-N 3.13Å; K941-E950 HydrophobicContact CD-CB 4.09Å; K941-E950 VanDerWaalsContact CD-O 3.23Å; K941-E950 WeakPolarHBondContact CD-O 3.42Å; K941-E950 WeakPolarHBondContact CE-O 3.14Å; K941-E950 PolarHBondContact NZ-O 3.22Å
942K53.4Low62.4Low118 Ų11881.1 Ų81.151%0.51338%0.38SS..PPolyproline II helixtrans-56.2118.3166.8-74.3176178.6144.50110H936 R949H936-K942 WeakPolarHBondContact NE2-CE 3.45Å; H936-K942 PolarHBondContact NE2-NZ 3.18Å; K942-R949 WeakPolarHBondContact O-CB 3.49Å
943K46.4Very low60.5Low167 Ų16780.5 Ų80.573%0.72638%0.379SS*.EExtended strand (participates in β ladder)trans-81.9130.5170.5-66.5178-177.3171.10108.8K941K941-K943 PolarHBondContact O-N 2.93Å; K941-K943 VanDerWaalsContact O-N 3.13Å
944K39.1Very low59.2Low130 Ų13077.2 Ų77.257%0.56536%0.36SS*.EExtended strand (participates in β ladder)trans-124.7124.4170.3-164.4-177.1-178.8-1740108.6G946 Y947K944-G946 PolarHBondContact O-N 2.9Å; K944-Y947 PolarHBondContact N-O 2.86Å; K944-Y947 PolarHBondContact O-N 3.03Å; K944-Y947 VanDerWaalsContact O-N 3.13Å
945F38.3Very low58.1Low187 Ų18778.5 Ų78.582%0.8237%0.368SS*.THydrogen-bonded Turntrans5332.4-176.4-54.7-67000114.7Y947F945-Y947 VanDerWaalsContact C-N 3.28Å; F945-Y947 VanDerWaalsContact O-CD2 3.3Å; F945-Y947 WeakPolarHBondContact O-CD2 3.34Å; F945-Y947 PolarHBondContact O-N 2.93Å
946G39.2Very low58.3Low71 Ų7178.3 Ų78.373%0.73236%0.363SS*.THydrogen-bonded Turntrans81.3-5.7-179.800000115.6K944K944-G946 PolarHBondContact O-N 2.9Å
947Y38.9Very low58.3Low184 Ų18476.1 Ų76.172%0.72235%0.354SS*.EExtended strand (participates in β ladder)trans-100.4138.8176.1-64.6-87.9000111.3K944 F945 R949K944-Y947 PolarHBondContact N-O 2.86Å; K944-Y947 PolarHBondContact O-N 3.03Å; K944-Y947 VanDerWaalsContact O-N 3.13Å; F945-Y947 VanDerWaalsContact C-N 3.28Å; F945-Y947 VanDerWaalsContact O-CD2 3.3Å; F945-Y947 WeakPolarHBondContact O-CD2 3.34Å; F945-Y947 PolarHBondContact O-N 2.93Å; Y947-R949 PolarHBondContact O-N 3.21Å
948K49.4Very low58.2Low115 Ų11579.6 Ų79.650%0.537%0.371SS..EExtended strand (participates in β ladder)trans-63.7119.8170.4-71.5-168.1174.8-164.80108.2D939 E950D939-K948 IonicContact OD2-NZ 3.36Å; D939-K948 PolarHBondContact OD2-NZ 3.35Å; K948-E950 VanDerWaalsContact C-N 3.27Å; K948-E950 PolarHBondContact O-N 3.07Å
949R42.3Very low58.4Low82 Ų8279.4 Ų79.431%0.30937%0.369SS..SBendtrans-63.6-32.8-176.2-165.3178.8-175.7-154.5-5.4112.6D915 K942 Y947 H1060D915-R949 IonicContact OD2-NH1 3.4Å; K942-R949 WeakPolarHBondContact O-CB 3.49Å; Y947-R949 PolarHBondContact O-N 3.21Å; R949-H1060 PolarHBondContact NH2-NE2 2.96Å
950E53Low59.4Low39 Ų3977.3 Ų77.318%0.18236%0.358CS..  trans-123.1123-174.3-74.3160-146.900112.5G914 D915 K941 K948G914-E950 WeakPolarHBondContact CA-OE2 3.48Å; D915-E950 WeakPolarHBondContact CA-OE1 3.27Å; D915-E950 WeakPolarHBondContact CB-OE1 3.16Å; D915-E950 PolarHBondContact N-OE1 3Å; D915-E950 PolarHBondContact N-OE2 3.09Å; K941-E950 HydrophobicContact CD-CB 4.09Å; K941-E950 VanDerWaalsContact CD-O 3.23Å; K941-E950 WeakPolarHBondContact CD-O 3.42Å; K941-E950 WeakPolarHBondContact CE-O 3.14Å; K941-E950 PolarHBondContact NZ-O 3.22Å; K948-E950 VanDerWaalsContact C-N 3.27Å; K948-E950 PolarHBondContact O-N 3.07Å
951R50.1Low60.3Low205 Ų20574.6 Ų74.677%0.77435%0.346SS*.  trans-99.4-15.8-177.5-70.6-178.3-102.8-179.1-5113.3
952V52.5Low61.8Low39 Ų3972.6 Ų72.624%0.23634%0.337CS..  trans-125.4119-170.8-164.40000110.3F954 A1046V952-F954 VanDerWaalsContact CG1-O 3.23Å; V952-F954 WeakPolarHBondContact CG1-O 3.25Å; V952-F954 PolarHBondContact O-N 2.66Å; V952-A1046 HydrophobicContact CG1-CB 3.26Å
953P54.2Low63.8Low30 Ų3067 Ų6720%0.19531%0.313CS..SBendtrans-74.90.5179.428.9-32.9000114.1F909F909-P953 HydrophobicContact CD2-CB 4.21Å; F909-P953 HydrophobicContact CD2-CG 3.89Å; F909-P953 HydrophobicContact CE2-CG 4.18Å
954F60.4Low66.1Low14 Ų1459 Ų596%0.06128%0.278CS..  trans-139.2126.2-171.7173.9-98.6000110.5C905 V952 L956 M1043 A1046C905-F954 HydrophobicContact CB-CD2 4.01Å; C905-F954 HydrophobicContact CB-CE2 3.52Å; C905-F954 WeakPolarHBondContact SG-CE2 3.35Å; V952-F954 VanDerWaalsContact CG1-O 3.23Å; V952-F954 WeakPolarHBondContact CG1-O 3.25Å; V952-F954 PolarHBondContact O-N 2.66Å; F954-L956 HydrophobicContact CD1-CB 3.96Å; F954-L956 HydrophobicContact CE1-CB 3.19Å; F954-L956 HydrophobicContact CE1-CD2 4.06Å; F954-L956 HydrophobicContact CE1-CG 4.26Å; F954-L956 HydrophobicContact CE2-CB 4.29Å; F954-L956 HydrophobicContact CZ-CB 3.4Å; F954-L956 VanDerWaalsContact CZ-CB 3.4Å; F954-L956 HydrophobicContact CZ-CD2 3.84Å; F954-L956 HydrophobicContact CZ-CG 4.17Å; F954-M1043 HydrophobicContact CE1-CG 4.02Å; F954-M1043 HydrophobicContact CZ-CG 3.86Å; F954-A1046 HydrophobicContact CB-CB 3.85Å; F954-A1046 HydrophobicContact CD1-CB 3.44Å; F954-A1046 VanDerWaalsContact CD1-CB 3.44Å; F954-A1046 HydrophobicContact CE1-CB 4.35Å; F954-A1046 HydrophobicContact CG-CB 4.1Å
955V64.9Low68.8Low27 Ų2752.9 Ų52.916%0.16425%0.252CS..  trans-119.475.2-178.4-177.90000109.3R916 T957 T1053 W1057R916-V955 HydrophobicContact CB-CB 4.41Å; R916-V955 HydrophobicContact CB-CG2 4.1Å; V955-T957 HydrophobicContact CG1-CG2 3.39Å; V955-T957 PolarHBondContact O-N 2.86Å; V955-T1053 HydrophobicContact CG1-CG2 3.96Å; V955-T1053 HydrophobicContact CG2-CG2 4.2Å; V955-W1057 HydrophobicContact CG1-CZ2 4.27Å
956L78.5Confident71.5Confident14 Ų1448 Ų487%0.07323%0.23CC..  trans-90.799.4168.2-173.767.5000109.6F954 F960 L961 I964 F977 F980F954-L956 HydrophobicContact CD1-CB 3.96Å; F954-L956 HydrophobicContact CE1-CB 3.19Å; F954-L956 HydrophobicContact CE1-CD2 4.06Å; F954-L956 HydrophobicContact CE1-CG 4.26Å; F954-L956 HydrophobicContact CE2-CB 4.29Å; F954-L956 HydrophobicContact CZ-CB 3.4Å; F954-L956 VanDerWaalsContact CZ-CB 3.4Å; F954-L956 HydrophobicContact CZ-CD2 3.84Å; F954-L956 HydrophobicContact CZ-CG 4.17Å; L956-F960 HydrophobicContact CD1-CB 3.86Å; L956-F960 HydrophobicContact CD1-CD2 4.34Å; L956-L961 HydrophobicContact CD1-CD2 4.38Å; L956-L961 HydrophobicContact CD2-CD2 3.53Å; L956-L961 HydrophobicContact CD2-CG 4.24Å; L956-L961 HydrophobicContact CG-CD2 3.88Å; L956-L961 HydrophobicContact CG-CG 4.05Å; L956-I964 HydrophobicContact CD1-CD1 4.2Å; L956-F977 HydrophobicContact CD2-CE2 3.85Å; L956-F977 HydrophobicContact CD2-CZ 4.45Å; L956-F980 HydrophobicContact CD1-CZ 4.23Å; L956-F980 HydrophobicContact CD2-CE1 3.88Å; L956-F980 HydrophobicContact CD2-CZ 4.29Å
957T82.4Confident73.9Confident15 Ų1545.8 Ų45.89%0.09221%0.208CC..  trans-90164.1-172.464.80000111.3V955 D959 F960 L961 W1057V955-T957 HydrophobicContact CG1-CG2 3.39Å; V955-T957 PolarHBondContact O-N 2.86Å; T957-D959 PolarHBondContact O-N 3.44Å; T957-F960 PolarHBondContact O-N 3.1Å; T957-L961 WeakPolarHBondContact O-CG 3.28Å; T957-L961 PolarHBondContact O-N 3.07Å; T957-W1057 HydrophobicContact CG2-CH2 3.17Å; T957-W1057 HydrophobicContact CG2-CZ2 3.29Å; T957-W1057 HydrophobicContact CG2-CZ3 4.38Å
958Q85.7Confident76.3Confident74 Ų7440.2 Ų40.235%0.34619%0.193SC..Hα-helixtrans-56.2-37.3175.7-169.462.326.400111.8F960 L961 I962 C971Q958-F960 VanDerWaalsContact C-N 3.28Å; Q958-F960 PolarHBondContact O-N 3.5Å; Q958-L961 PolarHBondContact O-N 3.26Å; Q958-I962 HydrophobicContact CG-CD1 3.9Å; Q958-I962 HydrophobicContact CG-CG1 4.31Å; Q958-I962 VanDerWaalsContact O-CG1 3.23Å; Q958-I962 WeakPolarHBondContact O-CG1 3.47Å; Q958-I962 PolarHBondContact O-N 3.18Å; Q958-C971 PolarHBondContact NE2-SG 2.95Å; Q958-C971 VanDerWaalsContact NE2-SG 3.44Å
959D89.5Confident77.8Confident3 Ų343.4 Ų43.42%0.01621%0.209CC..Hα-helixtrans-56.4-41.7176.7-63.2-130.8000111.9Q861 S874 L877 T957 V963Q861-D959 PolarHBondContact NE2-OD1 3.28Å; S874-D959 VanDerWaalsContact CB-OD2 3.25Å; S874-D959 WeakPolarHBondContact CB-OD2 3.29Å; S874-D959 PolarHBondContact OG-OD2 2.84Å; L877-D959 HydrophobicContact CD2-CB 4.42Å; T957-D959 PolarHBondContact O-N 3.44Å; D959-V963 WeakPolarHBondContact O-CG2 3.42Å; D959-V963 PolarHBondContact O-N 3.47Å
960F92.9Very high79.8Confident4 Ų445 Ų452%0.01822%0.22CC..Hα-helixtrans-75.9-39.4179-56.8-17.4000112I857 L877 F897 I921 L929 L956 T957 Q958 I962 V963 I964I857-F960 HydrophobicContact CD1-CE1 3.92Å; I857-F960 HydrophobicContact CG1-CE1 4.05Å; I857-F960 HydrophobicContact CG1-CZ 4.28Å; L877-F960 HydrophobicContact CD2-CD1 3.66Å; L877-F960 HydrophobicContact CD2-CE1 3.86Å; F897-F960 HydrophobicContact CE1-CB 4.23Å; F897-F960 HydrophobicContact CZ-CB 4.21Å; F897-F960 AromaticContact CZ-CD1 3.86Å; F897-F960 HydrophobicContact CZ-CD1 3.86Å; F897-F960 HydrophobicContact CZ-CG 4.19Å; I921-F960 HydrophobicContact CD1-CE2 4.05Å; I921-F960 HydrophobicContact CD1-CZ 3.89Å; I921-F960 HydrophobicContact CG2-CZ 4.03Å; L929-F960 HydrophobicContact CD1-CE1 4.43Å; L929-F960 HydrophobicContact CD1-CZ 4.43Å; L956-F960 HydrophobicContact CD1-CB 3.86Å; L956-F960 HydrophobicContact CD1-CD2 4.34Å; T957-F960 PolarHBondContact O-N 3.1Å; Q958-F960 VanDerWaalsContact C-N 3.28Å; Q958-F960 PolarHBondContact O-N 3.5Å; F960-I962 VanDerWaalsContact C-N 3.31Å; F960-I962 PolarHBondContact O-N 3.43Å; F960-V963 PolarHBondContact O-N 2.84Å; F960-V963 VanDerWaalsContact O-N 3.17Å; F960-I964 WeakPolarHBondContact O-CG1 3.35Å; F960-I964 PolarHBondContact O-N 3.14Å
961L91.7Very high81.4Confident3 Ų343.3 Ų43.32%0.01621%0.213CC..Hα-helixtrans-61.2-39.4176.6-70.5172.7000112.1L956 T957 Q958 V963 I964 S965 C971 F977 H1047L956-L961 HydrophobicContact CD1-CD2 4.38Å; L956-L961 HydrophobicContact CD2-CD2 3.53Å; L956-L961 HydrophobicContact CD2-CG 4.24Å; L956-L961 HydrophobicContact CG-CD2 3.88Å; L956-L961 HydrophobicContact CG-CG 4.05Å; T957-L961 WeakPolarHBondContact O-CG 3.28Å; T957-L961 PolarHBondContact O-N 3.07Å; Q958-L961 PolarHBondContact O-N 3.26Å; L961-V963 VanDerWaalsContact C-N 3.33Å; L961-V963 PolarHBondContact O-N 3.02Å; L961-I964 PolarHBondContact O-N 3.28Å; L961-S965 VanDerWaalsContact O-CB 3.3Å; L961-S965 WeakPolarHBondContact O-CB 3.09Å; L961-S965 PolarHBondContact O-N 2.97Å; L961-S965 PolarHBondContact O-OG 3.43Å; L961-C971 HydrophobicContact CB-CB 3.8Å; L961-F977 HydrophobicContact CD2-CD2 3.72Å; L961-F977 HydrophobicContact CD2-CE2 3.45Å; L961-F977 VanDerWaalsContact CD2-CE2 3.45Å; L961-F977 HydrophobicContact CD2-CZ 4.3Å; L961-H1047 VanDerWaalsContact CD1-CE1 3.49Å; L961-H1047 WeakPolarHBondContact CD1-CE1 3.38Å
962I94.3Very high83Confident4 Ų436.2 Ų36.22%0.02119%0.193CC..Hα-helixtrans-62.3-42.2175.8-70.4167.2000110.3H875 H878 Q958 F960 S965 K966 G967H875-I962 WeakPolarHBondContact ND1-CG2 3.39Å; H878-I962 HydrophobicContact CB-CG2 3.77Å; Q958-I962 HydrophobicContact CG-CD1 3.9Å; Q958-I962 HydrophobicContact CG-CG1 4.31Å; Q958-I962 VanDerWaalsContact O-CG1 3.23Å; Q958-I962 WeakPolarHBondContact O-CG1 3.47Å; Q958-I962 PolarHBondContact O-N 3.18Å; F960-I962 VanDerWaalsContact C-N 3.31Å; F960-I962 PolarHBondContact O-N 3.43Å; I962-S965 PolarHBondContact O-OG 3.36Å; I962-K966 PolarHBondContact O-N 2.99Å; I962-G967 PolarHBondContact O-N 2.91Å
963V96.1Very high84.6Confident0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-63.2-51.4176.1-179.70000110.8L877 H878 L881 I894 F897 D959 F960 L961 S965 K966L877-V963 HydrophobicContact CB-CG2 4.45Å; L877-V963 HydrophobicContact CD2-CG2 3.94Å; L877-V963 HydrophobicContact CG-CG2 3.9Å; H878-V963 HydrophobicContact CB-CG2 3.87Å; L881-V963 HydrophobicContact CD2-CG1 4.29Å; I894-V963 HydrophobicContact CD1-CG1 3.61Å; I894-V963 WeakPolarHBondContact CG2-O 3.48Å; F897-V963 HydrophobicContact CB-CG1 4.13Å; F897-V963 HydrophobicContact CD1-CB 3.94Å; F897-V963 HydrophobicContact CD1-CG1 3.39Å; F897-V963 HydrophobicContact CD2-CG1 4.03Å; F897-V963 HydrophobicContact CE1-CB 3.75Å; F897-V963 HydrophobicContact CE1-CG1 3.72Å; F897-V963 HydrophobicContact CE1-CG2 4.41Å; F897-V963 HydrophobicContact CE2-CG1 4.3Å; F897-V963 HydrophobicContact CG-CB 4.49Å; F897-V963 HydrophobicContact CG-CG1 3.57Å; F897-V963 HydrophobicContact CZ-CB 4.14Å; F897-V963 HydrophobicContact CZ-CG1 4.17Å; F897-V963 HydrophobicContact CZ-CG2 4.3Å; D959-V963 WeakPolarHBondContact O-CG2 3.42Å; D959-V963 PolarHBondContact O-N 3.47Å; F960-V963 PolarHBondContact O-N 2.84Å; F960-V963 VanDerWaalsContact O-N 3.17Å; L961-V963 VanDerWaalsContact C-N 3.33Å; L961-V963 PolarHBondContact O-N 3.02Å; V963-S965 VanDerWaalsContact C-N 3.32Å; V963-S965 PolarHBondContact O-N 3.01Å; V963-K966 PolarHBondContact O-N 3.27Å; V963-K966 VanDerWaalsContact O-N 3.11Å
964I95.4Very high86.3Confident0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-58.1-44.8-178.8-67.2165.3000110.9F897 T898 L956 F960 L961 K966 E976 F980F897-I964 HydrophobicContact CD1-CG1 4.21Å; F897-I964 HydrophobicContact CE1-CG1 4.2Å; T898-I964 HydrophobicContact CG2-CG1 4.42Å; T898-I964 HydrophobicContact CG2-CG2 4.17Å; L956-I964 HydrophobicContact CD1-CD1 4.2Å; F960-I964 WeakPolarHBondContact O-CG1 3.35Å; F960-I964 PolarHBondContact O-N 3.14Å; L961-I964 PolarHBondContact O-N 3.28Å; I964-K966 PolarHBondContact O-N 2.84Å; I964-E976 HydrophobicContact CG2-CB 4.43Å; I964-E976 VanDerWaalsContact O-CB 3.25Å; I964-E976 WeakPolarHBondContact O-CB 3.24Å; I964-F980 HydrophobicContact CD1-CD2 3.84Å; I964-F980 HydrophobicContact CD1-CE2 3.95Å; I964-F980 HydrophobicContact CD1-CG 4.13Å; I964-F980 HydrophobicContact CD1-CZ 4.36Å; I964-F980 HydrophobicContact CG2-CB 4.1Å
965S94.9Very high87.9Confident1 Ų149.6 Ų49.61%0.00724%0.24CC..THydrogen-bonded Turntrans-84.414.4-179.265.50000114.6L961 I962 V963 G967 T968 C971L961-S965 VanDerWaalsContact O-CB 3.3Å; L961-S965 WeakPolarHBondContact O-CB 3.09Å; L961-S965 PolarHBondContact O-N 2.97Å; L961-S965 PolarHBondContact O-OG 3.43Å; I962-S965 PolarHBondContact O-OG 3.36Å; V963-S965 VanDerWaalsContact C-N 3.32Å; V963-S965 PolarHBondContact O-N 3.01Å; S965-G967 PolarHBondContact O-N 2.67Å; S965-T968 WeakPolarHBondContact O-CB 3.33Å; S965-T968 PolarHBondContact O-N 2.86Å; S965-T968 PolarHBondContact O-OG1 2.99Å; S965-C971 WeakPolarHBondContact OG-CB 3.29Å; S965-C971 PolarHBondContact OG-SG 3.22Å
966K94.5Very high89.2Confident83 Ų8351.2 Ų51.236%0.36125%0.246SC..THydrogen-bonded Turntrans55.431.2178.2-58.2-174.1-177.7-165.70114.8Y890 D891 I894 I962 V963 I964Y890-K966 HydrophobicContact CE1-CD 4.49Å; D891-K966 IonicContact OD1-NZ 2.74Å; D891-K966 PolarHBondContact OD1-NZ 3.22Å; I894-K966 HydrophobicContact CG2-CG 4.15Å; I962-K966 PolarHBondContact O-N 2.99Å; V963-K966 PolarHBondContact O-N 3.27Å; V963-K966 VanDerWaalsContact O-N 3.11Å; I964-K966 PolarHBondContact O-N 2.84Å
967G90.1Very high89.8Confident26 Ų2651.3 Ų51.327%0.26825%0.246SC..THydrogen-bonded Turntrans93.66.9176.800000115.3I962 S965I962-G967 PolarHBondContact O-N 2.91Å; S965-G967 PolarHBondContact O-N 2.67Å
968T89.9Confident90.1Very high67 Ų6755.6 Ų55.641%0.41127%0.265SS..  trans-68.4145.8-179.2-53.60000111.6S965 C971 T974S965-T968 WeakPolarHBondContact O-CB 3.33Å; S965-T968 PolarHBondContact O-N 2.86Å; S965-T968 PolarHBondContact O-OG1 2.99Å; T968-C971 PolarHBondContact O-SG 2.94Å; T968-T974 HydrophobicContact CG2-CG2 3.99Å
969Q79.8Confident90.5Very high181 Ų18156.5 Ų56.585%0.84627%0.265SS*.SBendtrans-70.4-47.3180-70.7-176.4-4.100112.8C971Q969-C971 PolarHBondContact O-N 3.3Å
970E85.9Confident90.8Very high115 Ų11556.3 Ų56.354%0.53726%0.264SS..SBendtrans-90.368.9175.1-64.6-163.4162.300111.2T972 K973E970-T972 PolarHBondContact O-N 3.13Å; E970-T972 VanDerWaalsContact O-N 3.11Å; E970-K973 PolarHBondContact O-N 3.38Å; E970-K973 IonicContact OE1-NZ 3.09Å; E970-K973 PolarHBondContact OE1-NZ 3.24Å; E970-K973 WeakPolarHBondContact OE2-CD 3.43Å; E970-K973 WeakPolarHBondContact OE2-CE 3.32Å; E970-K973 IonicContact OE2-NZ 2.92Å; E970-K973 PolarHBondContact OE2-NZ 3.18Å
971C86.1Confident90.6Very high4 Ų457.8 Ų57.83%0.02727%0.271CS..G310 helixtrans-53.6-35.7-172.2-51.20000114.4Q958 L961 S965 T968 Q969 K973 T974 F977Q958-C971 PolarHBondContact NE2-SG 2.95Å; Q958-C971 VanDerWaalsContact NE2-SG 3.44Å; L961-C971 HydrophobicContact CB-CB 3.8Å; S965-C971 WeakPolarHBondContact OG-CB 3.29Å; S965-C971 PolarHBondContact OG-SG 3.22Å; T968-C971 PolarHBondContact O-SG 2.94Å; Q969-C971 PolarHBondContact O-N 3.3Å; C971-K973 VanDerWaalsContact C-N 3.35Å; C971-K973 PolarHBondContact O-N 3.5Å; C971-T974 PolarHBondContact O-N 3.42Å; C971-T974 PolarHBondContact O-OG1 2.78Å; C971-F977 WeakPolarHBondContact O-CB 3.45Å
972T82.6Confident90.6Very high57 Ų5762.6 Ų62.635%0.3529%0.293SS..G310 helixtrans-76.9-15.1-17251.60000114.9E970 F977 H1047E970-T972 PolarHBondContact O-N 3.13Å; E970-T972 VanDerWaalsContact O-N 3.11Å; T972-F977 HydrophobicContact CG2-CE1 4.32Å; T972-F977 WeakPolarHBondContact O-CD1 3.44Å; T972-H1047 VanDerWaalsContact CG2-CE1 3.47Å; T972-H1047 WeakPolarHBondContact CG2-CE1 3.23Å; T972-H1047 WeakPolarHBondContact CG2-NE2 3.29Å
973K86.2Confident90.7Very high147 Ų14763.4 Ų63.464%0.63930%0.297SS*.G310 helixtrans-100.315.3177.9-56.9-172.4-162.61520112.6E970 C971E970-K973 PolarHBondContact O-N 3.38Å; E970-K973 IonicContact OE1-NZ 3.09Å; E970-K973 PolarHBondContact OE1-NZ 3.24Å; E970-K973 WeakPolarHBondContact OE2-CD 3.43Å; E970-K973 WeakPolarHBondContact OE2-CE 3.32Å; E970-K973 IonicContact OE2-NZ 2.92Å; E970-K973 PolarHBondContact OE2-NZ 3.18Å; C971-K973 VanDerWaalsContact C-N 3.35Å; C971-K973 PolarHBondContact O-N 3.5Å
974T90.8Very high90.6Very high15 Ų1563.4 Ų63.49%0.09230%0.297CS..SBendtrans-93.5146.7-177.864.90000111.4T968 C971 E976 F977 E978T968-T974 HydrophobicContact CG2-CG2 3.99Å; C971-T974 PolarHBondContact O-N 3.42Å; C971-T974 PolarHBondContact O-OG1 2.78Å; T974-E976 WeakPolarHBondContact CB-OE2 3.22Å; T974-E976 PolarHBondContact O-N 2.74Å; T974-F977 PolarHBondContact O-N 2.88Å; T974-F977 WeakPolarHBondContact OG1-CB 3.38Å; T974-F977 PolarHBondContact OG1-N 3.33Å; T974-E978 PolarHBondContact O-N 3.21Å; T974-E978 VanDerWaalsContact O-N 3.1Å
975R93.3Very high90.6Very high201 Ų20165.1 Ų65.176%0.75830%0.304SS*.Hα-helixtrans-61.5-30.6174.8-173.7179.8176-175.60111.6F977 E978 R979R975-F977 VanDerWaalsContact C-N 3.32Å; R975-E978 PolarHBondContact O-N 2.89Å; R975-R979 WeakPolarHBondContact O-CB 3.28Å; R975-R979 PolarHBondContact O-N 3.34Å
976E93.1Very high90.6Very high62 Ų6270.7 Ų70.729%0.2933%0.328SS..Hα-helixtrans-61.2-41.2174.1-69.274.7-17000111.8I964 T974 F980I964-E976 HydrophobicContact CG2-CB 4.43Å; I964-E976 VanDerWaalsContact O-CB 3.25Å; I964-E976 WeakPolarHBondContact O-CB 3.24Å; T974-E976 WeakPolarHBondContact CB-OE2 3.22Å; T974-E976 PolarHBondContact O-N 2.74Å; E976-F980 PolarHBondContact O-N 3.17Å
977F90.8Very high90.8Very high15 Ų1566.7 Ų66.77%0.06631%0.311CS..Hα-helixtrans-72.1-40.7176.9-174.8-109.3000112.3L956 L961 C971 T972 T974 R975 R979 F980 Q981L956-F977 HydrophobicContact CD2-CE2 3.85Å; L956-F977 HydrophobicContact CD2-CZ 4.45Å; L961-F977 HydrophobicContact CD2-CD2 3.72Å; L961-F977 HydrophobicContact CD2-CE2 3.45Å; L961-F977 VanDerWaalsContact CD2-CE2 3.45Å; L961-F977 HydrophobicContact CD2-CZ 4.3Å; C971-F977 WeakPolarHBondContact O-CB 3.45Å; T972-F977 HydrophobicContact CG2-CE1 4.32Å; T972-F977 WeakPolarHBondContact O-CD1 3.44Å; T974-F977 PolarHBondContact O-N 2.88Å; T974-F977 WeakPolarHBondContact OG1-CB 3.38Å; T974-F977 PolarHBondContact OG1-N 3.33Å; R975-F977 VanDerWaalsContact C-N 3.32Å; F977-R979 VanDerWaalsContact C-N 3.3Å; F977-R979 PolarHBondContact O-N 3.12Å; F977-F980 HydrophobicContact CD2-CD1 4.01Å; F977-F980 AromaticContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CE1 4.16Å; F977-F980 WeakPolarHBondContact O-CB 3.01Å; F977-F980 PolarHBondContact O-N 2.91Å; F977-F980 VanDerWaalsContact O-N 3.11Å; F977-Q981 HydrophobicContact CD1-CG 4.35Å; F977-Q981 HydrophobicContact CE1-CG 3.96Å; F977-Q981 HydrophobicContact CZ-CG 4.05Å; F977-Q981 WeakPolarHBondContact O-CG 3.43Å; F977-Q981 PolarHBondContact O-N 3.1Å
978E88.9Confident91.1Very high106 Ų10665.5 Ų65.550%0.49530%0.298SS..Hα-helixtrans-56.9-45.4172.1-68.8176.416800111.1T974 R975 F980 Q981 E982T974-E978 PolarHBondContact O-N 3.21Å; T974-E978 VanDerWaalsContact O-N 3.1Å; R975-E978 PolarHBondContact O-N 2.89Å; E978-F980 VanDerWaalsContact C-N 3.31Å; E978-F980 PolarHBondContact O-N 2.88Å; E978-Q981 WeakPolarHBondContact O-CB 3.26Å; E978-Q981 PolarHBondContact O-N 3.08Å; E978-Q981 VanDerWaalsContact O-N 3.17Å; E978-E982 PolarHBondContact O-N 3.38Å
979R94.1Very high91.5Very high92 Ų9263.7 Ų63.735%0.34729%0.286SS..Hα-helixtrans-61.5-38.8175.9-167.2-17468.8143.56.6112.2D895 R975 F977 M983D895-R979 IonicContact OD1-CZ 3.51Å; D895-R979 IonicContact OD1-NH1 2.72Å; D895-R979 PolarHBondContact OD1-NH1 3.24Å; D895-R979 IonicContact OD1-NH2 2.92Å; D895-R979 PolarHBondContact OD1-NH2 3.21Å; R975-R979 WeakPolarHBondContact O-CB 3.28Å; R975-R979 PolarHBondContact O-N 3.34Å; F977-R979 VanDerWaalsContact C-N 3.3Å; F977-R979 PolarHBondContact O-N 3.12Å; R979-M983 HydrophobicContact CG-CE 3.72Å; R979-M983 WeakPolarHBondContact O-CG 3.45Å; R979-M983 PolarHBondContact O-N 3.46Å; R979-M983 VanDerWaalsContact O-N 3.11Å
980F94.6Very high92.3Very high0 Ų055.1 Ų55.10%025%0.246CC..Hα-helixtrans-62.9-43.5174.3165.8-94.6000111.7T898 C901 A902 L956 I964 E976 F977 E978 M983 C984T898-F980 HydrophobicContact CG2-CB 3.83Å; T898-F980 HydrophobicContact CG2-CD2 3.89Å; T898-F980 HydrophobicContact CG2-CG 4.34Å; C901-F980 HydrophobicContact CB-CE2 4.19Å; A902-F980 HydrophobicContact CB-CD2 3.95Å; A902-F980 HydrophobicContact CB-CE2 3.85Å; L956-F980 HydrophobicContact CD1-CZ 4.23Å; L956-F980 HydrophobicContact CD2-CE1 3.88Å; L956-F980 HydrophobicContact CD2-CZ 4.29Å; I964-F980 HydrophobicContact CD1-CD2 3.84Å; I964-F980 HydrophobicContact CD1-CE2 3.95Å; I964-F980 HydrophobicContact CD1-CG 4.13Å; I964-F980 HydrophobicContact CD1-CZ 4.36Å; I964-F980 HydrophobicContact CG2-CB 4.1Å; E976-F980 PolarHBondContact O-N 3.17Å; F977-F980 HydrophobicContact CD2-CD1 4.01Å; F977-F980 AromaticContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CE1 4.16Å; F977-F980 WeakPolarHBondContact O-CB 3.01Å; F977-F980 PolarHBondContact O-N 2.91Å; F977-F980 VanDerWaalsContact O-N 3.11Å; E978-F980 VanDerWaalsContact C-N 3.31Å; E978-F980 PolarHBondContact O-N 2.88Å; F980-M983 WeakPolarHBondContact O-CB 3.46Å; F980-M983 PolarHBondContact O-N 3.41Å; F980-C984 PolarHBondContact O-N 3.49Å; F980-C984 VanDerWaalsContact O-N 3.08Å; F980-C984 PolarHBondContact O-SG 3.38Å
981Q90.6Very high92.9Very high35 Ų3549.6 Ų49.616%0.16422%0.22CC..Hα-helixtrans-61.4-47.5176.1-73.8-177.6-63.100111.4F977 E978 M983 C984 Y985 M1043F977-Q981 HydrophobicContact CD1-CG 4.35Å; F977-Q981 HydrophobicContact CE1-CG 3.96Å; F977-Q981 HydrophobicContact CZ-CG 4.05Å; F977-Q981 WeakPolarHBondContact O-CG 3.43Å; F977-Q981 PolarHBondContact O-N 3.1Å; E978-Q981 WeakPolarHBondContact O-CB 3.26Å; E978-Q981 PolarHBondContact O-N 3.08Å; E978-Q981 VanDerWaalsContact O-N 3.17Å; Q981-M983 VanDerWaalsContact C-N 3.28Å; Q981-M983 PolarHBondContact O-N 3.04Å; Q981-C984 WeakPolarHBondContact O-CB 3.49Å; Q981-C984 PolarHBondContact O-N 2.85Å; Q981-Y985 HydrophobicContact CB-CE1 4.33Å; Q981-Y985 HydrophobicContact CB-CE2 3.81Å; Q981-Y985 PolarHBondContact NE2-OH 3.32Å; Q981-Y985 VanDerWaalsContact NE2-OH 3.15Å; Q981-Y985 VanDerWaalsContact O-CD1 3.3Å; Q981-Y985 WeakPolarHBondContact O-CD1 3.37Å; Q981-Y985 WeakPolarHBondContact O-CD2 3.26Å; Q981-Y985 PolarHBondContact O-N 3.24Å; Q981-M1043 HydrophobicContact CG-SD 4.36Å
982E91.6Very high93.5Very high103 Ų10351.2 Ų51.248%0.48123%0.226SC..Hα-helixtrans-56.6-40.4175.6-73.6-177.1-165.700112.9E978 Y985 K986E978-E982 PolarHBondContact O-N 3.38Å; E982-Y985 PolarHBondContact O-N 2.68Å; E982-K986 WeakPolarHBondContact O-CG 3.24Å; E982-K986 PolarHBondContact O-N 3.44Å
983M95.5Very high94.1Very high21 Ų2153.9 Ų53.910%0.10323%0.234CC..Hα-helixtrans-61.1-46.4174.9-73.7-175.4-125.600111.2L831 T898 R899 A902 R979 F980 Q981 Y985 A987L831-M983 HydrophobicContact CD2-CB 4.25Å; L831-M983 HydrophobicContact CD2-CG 4.47Å; L831-M983 HydrophobicContact CD2-SD 4.14Å; T898-M983 HydrophobicContact CG2-CE 4.03Å; R899-M983 HydrophobicContact CG-SD 3.87Å; A902-M983 HydrophobicContact CB-CB 3.93Å; R979-M983 HydrophobicContact CG-CE 3.72Å; R979-M983 WeakPolarHBondContact O-CG 3.45Å; R979-M983 PolarHBondContact O-N 3.46Å; R979-M983 VanDerWaalsContact O-N 3.11Å; F980-M983 WeakPolarHBondContact O-CB 3.46Å; F980-M983 PolarHBondContact O-N 3.41Å; Q981-M983 VanDerWaalsContact C-N 3.28Å; Q981-M983 PolarHBondContact O-N 3.04Å; M983-Y985 PolarHBondContact O-N 3.02Å; M983-A987 WeakPolarHBondContact O-CB 3.17Å; M983-A987 PolarHBondContact O-N 2.75Å
984C95Very high94.6Very high0 Ų050.4 Ų50.40%022%0.22CC..Hα-helixtrans-62.5-42178.6-63.90000111.9V906 F980 Q981 A987 Y988 F1039 M1043V906-C984 HydrophobicContact CG2-CB 3.96Å; V906-C984 WeakPolarHBondContact CG2-O 3.22Å; F980-C984 PolarHBondContact O-N 3.49Å; F980-C984 VanDerWaalsContact O-N 3.08Å; F980-C984 PolarHBondContact O-SG 3.38Å; Q981-C984 WeakPolarHBondContact O-CB 3.49Å; Q981-C984 PolarHBondContact O-N 2.85Å; C984-A987 PolarHBondContact O-N 2.76Å; C984-Y988 WeakPolarHBondContact O-CB 3.49Å; C984-Y988 PolarHBondContact O-N 3.12Å; C984-F1039 HydrophobicContact CB-CE1 4.07Å; C984-F1039 HydrophobicContact CB-CZ 4.37Å; C984-M1043 HydrophobicContact CB-CE 3.46Å; C984-M1043 VanDerWaalsContact CB-CE 3.46Å
985Y93.9Very high94.9Very high37 Ų3749.8 Ų49.815%0.14522%0.216CC..Hα-helixtrans-63.7-49.7179.8-57.9-20.1000111.7Q981 E982 M983 A987 Y988 L989 L1036 F1039 M1040 M1043Q981-Y985 HydrophobicContact CB-CE1 4.33Å; Q981-Y985 HydrophobicContact CB-CE2 3.81Å; Q981-Y985 PolarHBondContact NE2-OH 3.32Å; Q981-Y985 VanDerWaalsContact NE2-OH 3.15Å; Q981-Y985 VanDerWaalsContact O-CD1 3.3Å; Q981-Y985 WeakPolarHBondContact O-CD1 3.37Å; Q981-Y985 WeakPolarHBondContact O-CD2 3.26Å; Q981-Y985 PolarHBondContact O-N 3.24Å; E982-Y985 PolarHBondContact O-N 2.68Å; M983-Y985 PolarHBondContact O-N 3.02Å; Y985-A987 VanDerWaalsContact C-N 3.31Å; Y985-A987 PolarHBondContact O-N 3.43Å; Y985-Y988 PolarHBondContact O-N 3.04Å; Y985-L989 WeakPolarHBondContact O-CG 3.48Å; Y985-L989 PolarHBondContact O-N 3.06Å; Y985-L989 VanDerWaalsContact O-N 3.1Å; Y985-L1036 HydrophobicContact CD1-CD1 4.12Å; Y985-L1036 HydrophobicContact CG-CD1 3.93Å; Y985-F1039 AromaticContact CD1-CD1 3.98Å; Y985-F1039 HydrophobicContact CD1-CD1 3.98Å; Y985-F1039 AromaticContact CD1-CE1 4Å; Y985-F1039 HydrophobicContact CD1-CE1 4Å; Y985-F1039 HydrophobicContact CE1-CD1 4.49Å; Y985-F1039 HydrophobicContact CE1-CE1 4.5Å; Y985-M1040 HydrophobicContact CD1-CG 4.21Å; Y985-M1040 HydrophobicContact CE1-CG 3.68Å; Y985-M1040 HydrophobicContact CE2-CG 4.42Å; Y985-M1043 HydrophobicContact CD1-CE 4.38Å; Y985-M1043 HydrophobicContact CE1-CE 3.97Å; Y985-M1043 HydrophobicContact CE1-SD 4.14Å
986K96Very high95.1Very high117 Ų11742.9 Ų42.951%0.50920%0.195SC..Hα-helixtrans-62.3-40.4177.3-70.3174-178.51660111.5L829 E982 A990L829-K986 HydrophobicContact CD1-CB 3.89Å; L829-K986 HydrophobicContact CD2-CB 4.08Å; L829-K986 HydrophobicContact CD2-CD 4.17Å; E982-K986 WeakPolarHBondContact O-CG 3.24Å; E982-K986 PolarHBondContact O-N 3.44Å; K986-A990 VanDerWaalsContact O-CB 3.31Å; K986-A990 WeakPolarHBondContact O-CB 3.5Å; K986-A990 PolarHBondContact O-N 3.49Å
987A97.6Very high95.3Very high0 Ų040.9 Ų40.90%019%0.186CC..Hα-helixtrans-64-44.2177.300000112.8W824 L831 V906 M983 C984 Y985 A990 I991W824-A987 HydrophobicContact CZ2-CB 4.08Å; W824-A987 PolarHBondContact NE1-O 3.34Å; L831-A987 HydrophobicContact CD1-CB 3.47Å; L831-A987 VanDerWaalsContact CD1-CB 3.47Å; V906-A987 HydrophobicContact CB-CB 4.42Å; V906-A987 HydrophobicContact CG1-CB 4.3Å; V906-A987 HydrophobicContact CG2-CB 4.04Å; M983-A987 WeakPolarHBondContact O-CB 3.17Å; M983-A987 PolarHBondContact O-N 2.75Å; C984-A987 PolarHBondContact O-N 2.76Å; Y985-A987 VanDerWaalsContact C-N 3.31Å; Y985-A987 PolarHBondContact O-N 3.43Å; A987-A990 PolarHBondContact O-N 3.35Å; A987-I991 WeakPolarHBondContact O-CG1 3.36Å; A987-I991 PolarHBondContact O-N 2.92Å; A987-I991 VanDerWaalsContact O-N 3.1Å
988Y97.1Very high95.7Very high0 Ų040.3 Ų40.30%018%0.183CC..Hα-helixtrans-60.4-48.8177.2170.5-98.8000111.5F909 I910 C984 Y985 A990 I991 R992 T1025 L1026 A1035 F1039F909-Y988 HydrophobicContact CE1-CE2 4.06Å; I910-Y988 HydrophobicContact CD1-CD2 4.24Å; I910-Y988 HydrophobicContact CG1-CD2 4.35Å; C984-Y988 WeakPolarHBondContact O-CB 3.49Å; C984-Y988 PolarHBondContact O-N 3.12Å; Y985-Y988 PolarHBondContact O-N 3.04Å; Y988-A990 VanDerWaalsContact C-N 3.34Å; Y988-A990 PolarHBondContact O-N 2.67Å; Y988-I991 PolarHBondContact O-N 3.01Å; Y988-R992 WeakPolarHBondContact O-CB 3.14Å; Y988-R992 PolarHBondContact O-N 3.12Å; Y988-T1025 WeakPolarHBondContact CE2-O 3.39Å; Y988-T1025 PolarHBondContact OH-O 2.89Å; Y988-T1025 VanDerWaalsContact OH-O 3.09Å; Y988-L1026 HydrophobicContact CD2-CD2 4.41Å; Y988-L1026 HydrophobicContact CE2-CD2 3.98Å; Y988-L1026 WeakPolarHBondContact OH-CA 3.15Å; Y988-L1026 PolarHBondContact OH-O 3.37Å; Y988-A1035 HydrophobicContact CE1-CB 4.28Å; Y988-A1035 WeakPolarHBondContact CE1-O 3.41Å; Y988-A1035 PolarHBondContact OH-O 3.47Å; Y988-F1039 HydrophobicContact CD1-CB 3.95Å; Y988-F1039 HydrophobicContact CD1-CD1 4.17Å; Y988-F1039 HydrophobicContact CD1-CG 4.05Å; Y988-F1039 HydrophobicContact CD2-CB 4.29Å; Y988-F1039 HydrophobicContact CD2-CD1 4.37Å; Y988-F1039 AromaticContact CD2-CD2 3.8Å; Y988-F1039 HydrophobicContact CD2-CD2 3.8Å; Y988-F1039 HydrophobicContact CD2-CE2 4.21Å; Y988-F1039 AromaticContact CD2-CG 3.89Å; Y988-F1039 HydrophobicContact CD2-CG 3.89Å; Y988-F1039 HydrophobicContact CE1-CB 3.83Å; Y988-F1039 HydrophobicContact CE1-CG 4.37Å; Y988-F1039 HydrophobicContact CE2-CB 4.18Å; Y988-F1039 HydrophobicContact CE2-CD2 4.1Å; Y988-F1039 HydrophobicContact CE2-CG 4.22Å; Y988-F1039 HydrophobicContact CG-CB 4.17Å; Y988-F1039 AromaticContact CG-CD1 3.88Å; Y988-F1039 HydrophobicContact CG-CD1 3.88Å; Y988-F1039 HydrophobicContact CG-CD2 4.15Å; Y988-F1039 HydrophobicContact CG-CE1 4.31Å; Y988-F1039 AromaticContact CG-CG 3.79Å; Y988-F1039 HydrophobicContact CG-CG 3.79Å
989L97.2Very high96.1Very high29 Ų2935.2 Ų35.215%0.15216%0.16CC..Hα-helixtrans-63.6-39178-67.3-178.5000112.4Y985 I991 R992 Q993 E1032 L1036Y985-L989 WeakPolarHBondContact O-CG 3.48Å; Y985-L989 PolarHBondContact O-N 3.06Å; Y985-L989 VanDerWaalsContact O-N 3.1Å; L989-I991 VanDerWaalsContact C-N 3.33Å; L989-I991 PolarHBondContact O-N 3.38Å; L989-R992 WeakPolarHBondContact O-CB 3.49Å; L989-R992 PolarHBondContact O-N 3.14Å; L989-Q993 WeakPolarHBondContact O-CG 3.13Å; L989-Q993 PolarHBondContact O-N 3.48Å; L989-E1032 HydrophobicContact CD1-CG 4.44Å; L989-E1032 HydrophobicContact CD2-CG 3.62Å; L989-L1036 HydrophobicContact CD1-CD2 4.43Å; L989-L1036 HydrophobicContact CD2-CB 4.39Å
990A98Very high96.3Very high1 Ų131 Ų311%0.00814%0.144CC..Hα-helixtrans-59.2-42.9175.100000112.1K986 A987 Y988 H994K986-A990 VanDerWaalsContact O-CB 3.31Å; K986-A990 WeakPolarHBondContact O-CB 3.5Å; K986-A990 PolarHBondContact O-N 3.49Å; A987-A990 PolarHBondContact O-N 3.35Å; Y988-A990 VanDerWaalsContact C-N 3.34Å; Y988-A990 PolarHBondContact O-N 2.67Å; A990-H994 PolarHBondContact O-CD2 3.2Å
991I98.3Very high96.5Very high0 Ų031.1 Ų31.10%014%0.144CC..Hα-helixtrans-69.8-40176-62.3-45.1000111.4M820 I823 W824 I910 A987 Y988 L989 Q993 H994 A995 F998 L1026M820-I991 HydrophobicContact CB-CD1 3.83Å; M820-I991 HydrophobicContact CE-CG2 4.15Å; M820-I991 HydrophobicContact CG-CD1 3.69Å; M820-I991 HydrophobicContact CG-CG1 4.2Å; I823-I991 HydrophobicContact CB-CD1 4.45Å; I823-I991 HydrophobicContact CD1-CD1 4.46Å; I823-I991 HydrophobicContact CG2-CD1 4.33Å; W824-I991 HydrophobicContact CZ2-CD1 3.92Å; W824-I991 HydrophobicContact CZ2-CG1 3.63Å; I910-I991 HydrophobicContact CD1-CB 3.9Å; I910-I991 HydrophobicContact CD1-CG1 4.26Å; I910-I991 HydrophobicContact CD1-CG2 3.71Å; A987-I991 WeakPolarHBondContact O-CG1 3.36Å; A987-I991 PolarHBondContact O-N 2.92Å; A987-I991 VanDerWaalsContact O-N 3.1Å; Y988-I991 PolarHBondContact O-N 3.01Å; L989-I991 VanDerWaalsContact C-N 3.33Å; L989-I991 PolarHBondContact O-N 3.38Å; I991-Q993 VanDerWaalsContact C-N 3.3Å; I991-Q993 PolarHBondContact O-N 3.29Å; I991-H994 CarbonylContact O-C 3.51Å; I991-H994 WeakPolarHBondContact O-CA 3.3Å; I991-H994 PolarHBondContact O-N 2.89Å; I991-A995 PolarHBondContact O-N 3.38Å; I991-F998 HydrophobicContact CD1-CE2 4.23Å; I991-F998 HydrophobicContact CD1-CZ 4.05Å; I991-F998 HydrophobicContact CG2-CD2 3.97Å; I991-F998 HydrophobicContact CG2-CE2 3.6Å; I991-F998 HydrophobicContact CG2-CZ 4.12Å; I991-L1026 HydrophobicContact CG2-CD2 4.25Å
992R97.7Very high96.8Very high38 Ų3829.5 Ų29.514%0.14314%0.137CC..Hα-helixtrans-57.1-41.1178.1-172.1-180-174.7-83.6-3.9112.6Y988 L989 H994 A995 L1026 A1027 L1028 K1030 A1035Y988-R992 WeakPolarHBondContact O-CB 3.14Å; Y988-R992 PolarHBondContact O-N 3.12Å; L989-R992 WeakPolarHBondContact O-CB 3.49Å; L989-R992 PolarHBondContact O-N 3.14Å; R992-H994 PolarHBondContact O-N 2.99Å; R992-A995 VanDerWaalsContact O-CB 3.27Å; R992-A995 WeakPolarHBondContact O-CB 3.45Å; R992-A995 PolarHBondContact O-N 2.8Å; R992-L1026 HydrophobicContact CB-CD2 4.21Å; R992-L1026 WeakPolarHBondContact CD-O 3.18Å; R992-L1026 HydrophobicContact CG-CB 4.42Å; R992-L1026 PolarHBondContact NE-O 3.02Å; R992-A1027 PolarHBondContact NH2-O 3.15Å; R992-L1028 HydrophobicContact CG-CD2 4.02Å; R992-K1030 PolarHBondContact NH2-O 3Å; R992-A1035 VanDerWaalsContact NE-CB 3.29Å
993Q96.4Very high97.1Very high113 Ų11324.6 Ų24.653%0.52811%0.114SC..THydrogen-bonded Turntrans-65.3-17.8176.6-70.9171.92.100113.5L989 I991 E1032L989-Q993 WeakPolarHBondContact O-CG 3.13Å; L989-Q993 PolarHBondContact O-N 3.48Å; I991-Q993 VanDerWaalsContact C-N 3.3Å; I991-Q993 PolarHBondContact O-N 3.29Å; Q993-E1032 PolarHBondContact NE2-OE2 3.25Å
994H97.3Very high97.2Very high73 Ų7323.6 Ų23.634%0.33811%0.109SC..THydrogen-bonded Turntrans-110.617.7178.4-69-101.4000112.1I823 Q827 A990 I991 R992 N996 L997 F998I823-H994 HydrophobicContact CD1-CB 3.86Å; Q827-H994 PolarHBondContact NE2-NE2 3.23Å; A990-H994 PolarHBondContact O-CD2 3.2Å; I991-H994 CarbonylContact O-C 3.51Å; I991-H994 WeakPolarHBondContact O-CA 3.3Å; I991-H994 PolarHBondContact O-N 2.89Å; R992-H994 PolarHBondContact O-N 2.99Å; H994-N996 VanDerWaalsContact C-N 3.26Å; H994-N996 PolarHBondContact O-N 3.16Å; H994-L997 WeakPolarHBondContact O-CB 3.44Å; H994-L997 PolarHBondContact O-N 2.98Å; H994-L997 VanDerWaalsContact O-N 3.07Å; H994-F998 HydrophobicContact CB-CE2 4.05Å; H994-F998 VanDerWaalsContact O-CD2 3.27Å; H994-F998 WeakPolarHBondContact O-CD2 3.48Å
995A97.1Very high97.3Very high2 Ų223.9 Ų23.92%0.01711%0.11CC..Hα-helixtrans-54-39-174.800000113.6I991 R992 L997 F998 I999 L1026 L1028I991-A995 PolarHBondContact O-N 3.38Å; R992-A995 VanDerWaalsContact O-CB 3.27Å; R992-A995 WeakPolarHBondContact O-CB 3.45Å; R992-A995 PolarHBondContact O-N 2.8Å; A995-L997 VanDerWaalsContact C-N 3.26Å; A995-L997 PolarHBondContact O-N 3.22Å; A995-F998 PolarHBondContact O-N 3.49Å; A995-F998 VanDerWaalsContact O-N 3.09Å; A995-I999 WeakPolarHBondContact O-CG1 3.31Å; A995-I999 PolarHBondContact O-N 2.97Å; A995-L1026 HydrophobicContact CB-CD1 3.79Å; A995-L1028 HydrophobicContact CB-CD1 3.84Å; A995-L1028 HydrophobicContact CB-CD2 3.65Å; A995-L1028 HydrophobicContact CB-CG 4.41Å
996N96.5Very high97.3Very high57 Ų5722.5 Ų22.531%0.30511%0.106SC..Hα-helixtrans-56.3-41.1179.6-64.419.7000111.7D538 P539 H994 N1000D538-N996 WeakPolarHBondContact CA-OD1 3.36Å; P539-N996 HydrophobicContact CG-CB 4.42Å; H994-N996 VanDerWaalsContact C-N 3.26Å; H994-N996 PolarHBondContact O-N 3.16Å; N996-N1000 WeakPolarHBondContact O-CB 3.28Å; N996-N1000 PolarHBondContact O-N 2.97Å; N996-N1000 PolarHBondContact O-ND2 2.92Å
997L97.7Very high96.9Very high19 Ų1918 Ų1810%0.0999%0.092CC..Hα-helixtrans-62-48.7176.9173.962000110.8E596 M599 Y631 I819 H994 A995 N1000 L1001E596-L997 HydrophobicContact CB-CD1 4.09Å; E596-L997 HydrophobicContact CG-CD1 3.9Å; M599-L997 HydrophobicContact CE-CD1 4.43Å; Y631-L997 HydrophobicContact CE1-CD1 4.27Å; I819-L997 HydrophobicContact CG2-CD2 3.92Å; H994-L997 WeakPolarHBondContact O-CB 3.44Å; H994-L997 PolarHBondContact O-N 2.98Å; H994-L997 VanDerWaalsContact O-N 3.07Å; A995-L997 VanDerWaalsContact C-N 3.26Å; A995-L997 PolarHBondContact O-N 3.22Å; L997-N1000 PolarHBondContact O-N 3.23Å; L997-L1001 HydrophobicContact CD1-CD1 3.93Å; L997-L1001 HydrophobicContact CD1-CD2 4.38Å; L997-L1001 HydrophobicContact CD1-CG 3.98Å; L997-L1001 HydrophobicContact CG-CD1 3.89Å; L997-L1001 HydrophobicContact CG-CG 4.36Å; L997-L1001 WeakPolarHBondContact O-CB 3.36Å; L997-L1001 WeakPolarHBondContact O-CG 3.09Å; L997-L1001 PolarHBondContact O-N 3.42Å
998F98.1Very high96.6Very high3 Ų318 Ų181%0.0139%0.093CC..Hα-helixtrans-63.6-44.6-178.9-64.4-75.3000111.5I816 I819 M820 I823 I991 H994 A995 N1000 L1001 F1002I816-F998 HydrophobicContact CD1-CD1 4.2Å; I816-F998 HydrophobicContact CG2-CD1 3.74Å; I816-F998 HydrophobicContact CG2-CE1 3.75Å; I819-F998 HydrophobicContact CB-CE1 4.32Å; I819-F998 HydrophobicContact CG2-CE1 3.95Å; I819-F998 HydrophobicContact CG2-CZ 4.07Å; M820-F998 HydrophobicContact CE-CD1 4.49Å; M820-F998 HydrophobicContact CE-CE1 4.16Å; M820-F998 HydrophobicContact CE-CZ 4.48Å; M820-F998 HydrophobicContact CG-CE1 3.74Å; M820-F998 HydrophobicContact CG-CZ 3.7Å; I823-F998 HydrophobicContact CD1-CE2 3.87Å; I823-F998 HydrophobicContact CD1-CZ 3.68Å; I991-F998 HydrophobicContact CD1-CE2 4.23Å; I991-F998 HydrophobicContact CD1-CZ 4.05Å; I991-F998 HydrophobicContact CG2-CD2 3.97Å; I991-F998 HydrophobicContact CG2-CE2 3.6Å; I991-F998 HydrophobicContact CG2-CZ 4.12Å; H994-F998 HydrophobicContact CB-CE2 4.05Å; H994-F998 VanDerWaalsContact O-CD2 3.27Å; H994-F998 WeakPolarHBondContact O-CD2 3.48Å; A995-F998 PolarHBondContact O-N 3.49Å; A995-F998 VanDerWaalsContact O-N 3.09Å; F998-N1000 PolarHBondContact O-N 2.97Å; F998-L1001 PolarHBondContact O-N 3.15Å; F998-F1002 VanDerWaalsContact O-CD2 3.26Å; F998-F1002 WeakPolarHBondContact O-CD2 3.36Å; F998-F1002 PolarHBondContact O-N 3.11Å
999I97.9Very high96.1Very high0 Ų020.7 Ų20.70%012%0.12CC..Hα-helixtrans-56.7-50.5175.1-72.8168.3000110.4D538 P539 L540 A995 L1001 F1002 S1003 I1019 R1023 L1028D538-I999 HydrophobicContact CB-CD1 3.74Å; D538-I999 WeakPolarHBondContact OD1-CD1 3.41Å; P539-I999 HydrophobicContact CB-CG2 3.96Å; P539-I999 HydrophobicContact CG-CG2 3.98Å; L540-I999 HydrophobicContact CD1-CG2 3.83Å; L540-I999 HydrophobicContact CD2-CG2 4.46Å; L540-I999 HydrophobicContact CG-CG2 3.65Å; A995-I999 WeakPolarHBondContact O-CG1 3.31Å; A995-I999 PolarHBondContact O-N 2.97Å; I999-L1001 VanDerWaalsContact C-N 3.33Å; I999-L1001 PolarHBondContact O-N 3.35Å; I999-F1002 PolarHBondContact O-N 3.16Å; I999-F1002 VanDerWaalsContact O-N 3.13Å; I999-S1003 PolarHBondContact O-N 2.85Å; I999-S1003 PolarHBondContact O-OG 2.83Å; I999-I1019 HydrophobicContact CG1-CG2 4.49Å; I999-I1019 HydrophobicContact CG2-CG2 4.47Å; I999-R1023 HydrophobicContact CD1-CG 4.09Å; I999-L1028 HydrophobicContact CD1-CD1 3.69Å
1000N97.9Very high95.8Very high4 Ų419.3 Ų19.32%0.02111%0.113CC..Hα-helixtrans-58.8-43178-72.2-15000112.1P539 E600 N996 L997 F998 F1002 S1003 M1004P539-N1000 WeakPolarHBondContact CG-OD1 3.39Å; E600-N1000 WeakPolarHBondContact CG-OD1 3.38Å; E600-N1000 PolarHBondContact OE2-ND2 3.21Å; N996-N1000 WeakPolarHBondContact O-CB 3.28Å; N996-N1000 PolarHBondContact O-N 2.97Å; N996-N1000 PolarHBondContact O-ND2 2.92Å; L997-N1000 PolarHBondContact O-N 3.23Å; F998-N1000 PolarHBondContact O-N 2.97Å; N1000-F1002 VanDerWaalsContact C-N 3.3Å; N1000-F1002 PolarHBondContact O-N 2.92Å; N1000-S1003 PolarHBondContact O-N 3.48Å; N1000-M1004 VanDerWaalsContact O-CG 3.24Å; N1000-M1004 WeakPolarHBondContact O-CG 3.48Å; N1000-M1004 PolarHBondContact O-N 2.95Å
1001L98.4Very high95.1Very high1 Ų122.3 Ų22.31%0.00513%0.132CC..Hα-helixtrans-63-34.4178.1-68.4169.6000112.8Y631 Q634 I816 I819 L997 F998 I999 M1005Y631-L1001 HydrophobicContact CD1-CD2 3.62Å; Y631-L1001 HydrophobicContact CE1-CD1 4.38Å; Y631-L1001 HydrophobicContact CE1-CD2 3.99Å; Q634-L1001 HydrophobicContact CG-CB 4.44Å; Q634-L1001 HydrophobicContact CG-CD2 3.77Å; I816-L1001 HydrophobicContact CD1-CB 4.08Å; I816-L1001 HydrophobicContact CD1-CD1 3.74Å; I819-L1001 HydrophobicContact CD1-CD1 3.44Å; I819-L1001 VanDerWaalsContact CD1-CD1 3.44Å; L997-L1001 HydrophobicContact CD1-CD1 3.93Å; L997-L1001 HydrophobicContact CD1-CD2 4.38Å; L997-L1001 HydrophobicContact CD1-CG 3.98Å; L997-L1001 HydrophobicContact CG-CD1 3.89Å; L997-L1001 HydrophobicContact CG-CG 4.36Å; L997-L1001 WeakPolarHBondContact O-CB 3.36Å; L997-L1001 WeakPolarHBondContact O-CG 3.09Å; L997-L1001 PolarHBondContact O-N 3.42Å; F998-L1001 PolarHBondContact O-N 3.15Å; I999-L1001 VanDerWaalsContact C-N 3.33Å; I999-L1001 PolarHBondContact O-N 3.35Å; L1001-M1005 WeakPolarHBondContact O-CG 3.3Å
1002F97.8Very high94.4Very high1 Ų122.9 Ų22.90%0.00414%0.135CC..Hα-helixtrans-76.7-40.4173.4-81.9-81.9000111.9L812 I816 L911 F937 L938 F998 I999 N1000 M1004 M1005 L1013 I1019 I1022L812-F1002 HydrophobicContact CD2-CD1 3.93Å; L812-F1002 HydrophobicContact CD2-CE1 3.68Å; L812-F1002 HydrophobicContact CD2-CZ 4.4Å; L812-F1002 HydrophobicContact CG-CE1 4.35Å; I816-F1002 HydrophobicContact CD1-CE2 4.27Å; I816-F1002 HydrophobicContact CG1-CE2 4.08Å; I816-F1002 HydrophobicContact CG1-CZ 4.21Å; L911-F1002 HydrophobicContact CD2-CE2 4.03Å; L911-F1002 HydrophobicContact CD2-CZ 3.96Å; F937-F1002 HydrophobicContact CD2-CE1 4.39Å; F937-F1002 HydrophobicContact CE2-CE1 4.08Å; F937-F1002 HydrophobicContact CZ-CE1 4.27Å; L938-F1002 HydrophobicContact CD1-CD1 4.08Å; L938-F1002 HydrophobicContact CD1-CE1 4.08Å; F998-F1002 VanDerWaalsContact O-CD2 3.26Å; F998-F1002 WeakPolarHBondContact O-CD2 3.36Å; F998-F1002 PolarHBondContact O-N 3.11Å; I999-F1002 PolarHBondContact O-N 3.16Å; I999-F1002 VanDerWaalsContact O-N 3.13Å; N1000-F1002 VanDerWaalsContact C-N 3.3Å; N1000-F1002 PolarHBondContact O-N 2.92Å; F1002-M1004 VanDerWaalsContact C-N 3.31Å; F1002-M1004 PolarHBondContact O-N 3.1Å; F1002-M1005 WeakPolarHBondContact O-CB 3.47Å; F1002-M1005 PolarHBondContact O-N 3.24Å; F1002-L1013 HydrophobicContact CD1-CD1 4.2Å; F1002-L1013 HydrophobicContact CD1-CD2 3.92Å; F1002-I1019 HydrophobicContact CB-CD1 3.95Å; F1002-I1019 HydrophobicContact CB-CG1 3.99Å; F1002-I1019 HydrophobicContact CB-CG2 3.94Å; F1002-I1022 HydrophobicContact CD2-CD1 3.28Å; F1002-I1022 HydrophobicContact CE2-CD1 3.29Å; F1002-I1022 HydrophobicContact CG-CD1 4.06Å; F1002-I1022 HydrophobicContact CZ-CD1 4.04Å
1003S96.9Very high94Very high1 Ų121.1 Ų21.11%0.00713%0.128CC..Hα-helixtrans-58.3-42.4177.6-61.60000112.1I999 N1000 M1005 L1006I999-S1003 PolarHBondContact O-N 2.85Å; I999-S1003 PolarHBondContact O-OG 2.83Å; N1000-S1003 PolarHBondContact O-N 3.48Å; S1003-M1005 PolarHBondContact O-N 3.5Å; S1003-M1005 VanDerWaalsContact O-N 3.12Å; S1003-L1006 WeakPolarHBondContact O-CG 3.47Å; S1003-L1006 PolarHBondContact O-N 3.45Å
1004M98.1Very high93.5Very high0 Ų018.5 Ų18.50%012%0.116CC..THydrogen-bonded Turntrans-64.6-14.7176.5-68.6175.383.200113.6M599 D603 Q634 L635 Q637 V638 N1000 F1002M599-M1004 HydrophobicContact CB-CE 4.1Å; M599-M1004 HydrophobicContact CB-SD 3.81Å; M599-M1004 HydrophobicContact CG-CE 4.23Å; M599-M1004 HydrophobicContact CG-SD 4.41Å; M599-M1004 HydrophobicContact SD-CE 4.33Å; M599-M1004 HydrophobicContact SD-SD 4.37Å; D603-M1004 HydrophobicContact CB-CG 4.34Å; Q634-M1004 HydrophobicContact CB-CB 3.86Å; Q634-M1004 HydrophobicContact CB-CE 3.71Å; Q634-M1004 HydrophobicContact CB-CG 4.49Å; Q634-M1004 HydrophobicContact CB-SD 3.8Å; Q634-M1004 HydrophobicContact CG-CB 3.97Å; Q634-M1004 HydrophobicContact CG-SD 4.27Å; L635-M1004 HydrophobicContact CD2-CE 4.13Å; Q637-M1004 VanDerWaalsContact CB-O 3.3Å; Q637-M1004 WeakPolarHBondContact CB-O 3.35Å; V638-M1004 HydrophobicContact CB-CE 4.41Å; V638-M1004 HydrophobicContact CG1-CB 3.69Å; V638-M1004 HydrophobicContact CG1-CE 3.55Å; V638-M1004 HydrophobicContact CG1-CG 3.7Å; V638-M1004 HydrophobicContact CG2-CE 3.94Å; N1000-M1004 VanDerWaalsContact O-CG 3.24Å; N1000-M1004 WeakPolarHBondContact O-CG 3.48Å; N1000-M1004 PolarHBondContact O-N 2.95Å; F1002-M1004 VanDerWaalsContact C-N 3.31Å; F1002-M1004 PolarHBondContact O-N 3.1Å
1005M97.3Very high93.1Very high5 Ų516.9 Ų16.93%0.02511%0.113CC..THydrogen-bonded Turntrans-99.8-2.8-177.4-63.7-65.9-57.600113.8I633 Q634 Q637 L812 L1001 F1002 S1003 G1007 S1008 M1010 L1013I633-M1005 HydrophobicContact CG2-CE 3.68Å; I633-M1005 HydrophobicContact CG2-SD 3.74Å; Q634-M1005 HydrophobicContact CG-CG 4.14Å; Q634-M1005 HydrophobicContact CG-SD 3.99Å; Q637-M1005 HydrophobicContact CB-SD 4.19Å; Q637-M1005 HydrophobicContact CG-CE 3.74Å; Q637-M1005 HydrophobicContact CG-SD 3.44Å; Q637-M1005 WeakPolarHBondContact CG-SD 3.45Å; L812-M1005 HydrophobicContact CD1-CG 4.17Å; L812-M1005 HydrophobicContact CD2-CB 4.39Å; L812-M1005 HydrophobicContact CD2-CG 4.14Å; L1001-M1005 WeakPolarHBondContact O-CG 3.3Å; F1002-M1005 WeakPolarHBondContact O-CB 3.47Å; F1002-M1005 PolarHBondContact O-N 3.24Å; S1003-M1005 PolarHBondContact O-N 3.5Å; S1003-M1005 VanDerWaalsContact O-N 3.12Å; M1005-G1007 VanDerWaalsContact C-N 3.25Å; M1005-G1007 PolarHBondContact O-N 2.89Å; M1005-S1008 WeakPolarHBondContact O-CB 3.27Å; M1005-S1008 PolarHBondContact O-N 3.14Å; M1005-S1008 PolarHBondContact O-OG 2.81Å; M1005-M1010 HydrophobicContact CB-CE 4.07Å; M1005-M1010 HydrophobicContact CE-CE 3.82Å; M1005-L1013 HydrophobicContact CB-CD2 3.51Å
1006L93.4Very high92.7Very high9 Ų918.9 Ų18.95%0.04712%0.121CC..G310 helixtrans-57.1-35.8180-69.1168.4000113Y641 S1003 S1008 L1013 S1015 F1016 I1019Y641-L1006 WeakPolarHBondContact OH-CB 3.37Å; S1003-L1006 WeakPolarHBondContact O-CG 3.47Å; S1003-L1006 PolarHBondContact O-N 3.45Å; L1006-S1008 PolarHBondContact O-N 2.65Å; L1006-L1013 HydrophobicContact CD2-CD1 3.92Å; L1006-L1013 HydrophobicContact CD2-CG 4Å; L1006-S1015 VanDerWaalsContact CD2-C 3.48Å; L1006-S1015 WeakPolarHBondContact CD2-O 3.34Å; L1006-F1016 HydrophobicContact CD1-CD1 3.86Å; L1006-F1016 HydrophobicContact CD1-CD2 4.23Å; L1006-F1016 HydrophobicContact CD1-CE1 3.63Å; L1006-F1016 HydrophobicContact CD1-CE2 4Å; L1006-F1016 HydrophobicContact CD1-CG 4.18Å; L1006-F1016 HydrophobicContact CD1-CZ 3.69Å; L1006-I1019 HydrophobicContact CD1-CD1 4.19Å; L1006-I1019 HydrophobicContact CD2-CD1 4.06Å; L1006-I1019 HydrophobicContact CG-CD1 4.16Å
1007G89.3Confident92.3Very high22 Ų2222.5 Ų22.523%0.22714%0.14CC..G310 helixtrans-76.42.3178.300000114.7K640 Y641 M1005 G1009K640-G1007 WeakPolarHBondContact CD-O 3.39Å; K640-G1007 PolarHBondContact NZ-O 3.06Å; Y641-G1007 PolarHBondContact OH-N 3.43Å; M1005-G1007 VanDerWaalsContact C-N 3.25Å; M1005-G1007 PolarHBondContact O-N 2.89Å; G1007-G1009 VanDerWaalsContact C-N 3.33Å
1008S90Very high91.9Very high1 Ų123.2 Ų23.21%0.00714%0.144CC..G310 helixtrans-72.7-23.8-179.666.30000113.6R808 M1005 L1006 M1010R808-S1008 PolarHBondContact NH1-O 2.72Å; M1005-S1008 WeakPolarHBondContact O-CB 3.27Å; M1005-S1008 PolarHBondContact O-N 3.14Å; M1005-S1008 PolarHBondContact O-OG 2.81Å; L1006-S1008 PolarHBondContact O-N 2.65Å; S1008-M1010 VanDerWaalsContact C-N 3.28Å; S1008-M1010 WeakPolarHBondContact OG-CE 3.36Å; S1008-M1010 WeakPolarHBondContact OG-CG 3.42Å; S1008-M1010 PolarHBondContact OG-N 2.93Å
1009G87.6Confident91.7Very high55 Ų5523.1 Ų23.157%0.56714%0.144SC*.  trans71.524.6-171.500000112.9R808 G1007R808-G1009 PolarHBondContact NH2-O 2.92Å; G1007-G1009 VanDerWaalsContact C-N 3.33Å
1010M89.3Confident91.3Very high1 Ų124.8 Ų24.81%0.00516%0.158CC..  trans-69.3132.8165.5-73.2-175-6700109.2R808 Q809 L812 F937 M1005 S1008 E1012 L1013R808-M1010 HydrophobicContact CB-CG 4.26Å; R808-M1010 HydrophobicContact CB-SD 4.05Å; Q809-M1010 HydrophobicContact CB-SD 4.46Å; Q809-M1010 HydrophobicContact CG-CG 4.25Å; Q809-M1010 HydrophobicContact CG-SD 3.79Å; L812-M1010 HydrophobicContact CD2-CE 3.85Å; F937-M1010 HydrophobicContact CZ-CE 4.3Å; F937-M1010 HydrophobicContact CZ-SD 4.28Å; M1005-M1010 HydrophobicContact CB-CE 4.07Å; M1005-M1010 HydrophobicContact CE-CE 3.82Å; S1008-M1010 VanDerWaalsContact C-N 3.28Å; S1008-M1010 WeakPolarHBondContact OG-CE 3.36Å; S1008-M1010 WeakPolarHBondContact OG-CG 3.42Å; S1008-M1010 PolarHBondContact OG-N 2.93Å; M1010-E1012 PolarHBondContact O-N 3.11Å; M1010-E1012 VanDerWaalsContact O-N 3.14Å; M1010-L1013 HydrophobicContact CB-CB 4.4Å; M1010-L1013 HydrophobicContact CE-CB 4.38Å; M1010-L1013 HydrophobicContact CE-CD2 3.75Å; M1010-L1013 CarbonylContact O-C 3.55Å; M1010-L1013 PolarHBondContact O-N 3.01Å
1011P83.4Confident91Very high63 Ų6326.5 Ų26.541%0.40916%0.164SC..THydrogen-bonded Turntrans-66.2-19.5-174.124.9-33.9000114Q1014P1011-Q1014 PolarHBondContact O-NE2 3.5Å
1012E83.9Confident90.7Very high13 Ų1326.5 Ų26.56%0.06116%0.164CC..THydrogen-bonded Turntrans-102.15.7-175.9-60.6-176.5-159.200113.4Q809 H936 F937 H940 M1010Q809-E1012 PolarHBondContact NE2-OE1 3.17Å; Q809-E1012 VanDerWaalsContact OE1-CD 3.25Å; Q809-E1012 PolarHBondContact OE1-OE1 2.92Å; Q809-E1012 PolarHBondContact OE1-OE2 2.96Å; H936-E1012 WeakPolarHBondContact CA-OE2 3.47Å; H936-E1012 IonicContact CE1-OE1 2.83Å; H936-E1012 IonicContact CG-OE1 3.69Å; H936-E1012 IonicContact ND1-OE1 3.2Å; H936-E1012 PolarHBondContact ND1-OE1 2.95Å; F937-E1012 HydrophobicContact CD2-CB 4.34Å; F937-E1012 HydrophobicContact CE2-CB 4.12Å; F937-E1012 PolarHBondContact N-OE2 3.24Å; H940-E1012 HydrophobicContact CB-CB 4.18Å; H940-E1012 HydrophobicContact CB-CG 3.68Å; H940-E1012 WeakPolarHBondContact CB-OE2 3.35Å; H940-E1012 PolarHBondContact CE1-O 2.88Å; H940-E1012 IonicContact CG-OE2 2.73Å; H940-E1012 PolarHBondContact ND1-O 3.12Å; M1010-E1012 PolarHBondContact O-N 3.11Å; M1010-E1012 VanDerWaalsContact O-N 3.14Å
1013L90Very high90.5Very high0 Ų028.1 Ų28.10%017%0.17CC..  trans-14682-179.7-172.462000108.9L812 F937 L938 F1002 M1005 L1006 M1010 D1018 I1019L812-L1013 HydrophobicContact CD2-CD2 4.34Å; F937-L1013 HydrophobicContact CE2-CB 4.16Å; F937-L1013 HydrophobicContact CZ-CB 4.37Å; L938-L1013 HydrophobicContact CD1-CD1 4.04Å; F1002-L1013 HydrophobicContact CD1-CD1 4.2Å; F1002-L1013 HydrophobicContact CD1-CD2 3.92Å; M1005-L1013 HydrophobicContact CB-CD2 3.51Å; L1006-L1013 HydrophobicContact CD2-CD1 3.92Å; L1006-L1013 HydrophobicContact CD2-CG 4Å; M1010-L1013 HydrophobicContact CB-CB 4.4Å; M1010-L1013 HydrophobicContact CE-CB 4.38Å; M1010-L1013 HydrophobicContact CE-CD2 3.75Å; M1010-L1013 CarbonylContact O-C 3.55Å; M1010-L1013 PolarHBondContact O-N 3.01Å; L1013-D1018 HydrophobicContact CD1-CB 4.34Å; L1013-I1019 HydrophobicContact CD1-CD1 4.08Å; L1013-I1019 HydrophobicContact CD1-CG1 3.56Å
1014Q85.4Confident90.3Very high58 Ų5835 Ų3527%0.27120%0.2SC..SBendtrans-115.3-29.6-175.6-56.3-167.529.900112.6H450 P1011 D1018H450-Q1014 VanDerWaalsContact O-CD 3.27Å; H450-Q1014 PolarHBondContact O-NE2 3.11Å; H450-Q1014 PolarHBondContact O-OE1 2.88Å; P1011-Q1014 PolarHBondContact O-NE2 3.5Å; Q1014-D1018 PolarHBondContact N-OD2 2.97Å
1015S88.2Confident90Very high39 Ų3935.1 Ų35.127%0.27320%0.201SC..SBendtrans-139169.5179.877.90000112.9L1006 D1017 D1018L1006-S1015 VanDerWaalsContact CD2-C 3.48Å; L1006-S1015 WeakPolarHBondContact CD2-O 3.34Å; S1015-D1017 PolarHBondContact O-N 2.76Å; S1015-D1017 PolarHBondContact OG-N 2.8Å; S1015-D1018 PolarHBondContact N-OD2 2.9Å; S1015-D1018 WeakPolarHBondContact O-CB 3.44Å; S1015-D1018 PolarHBondContact O-N 2.95Å
1016F90.4Very high89.9Confident45 Ų4534.9 Ų34.920%0.19720%0.2CC..Hα-helixtrans-62.8-23.1173.2-70.2-70.4000113.1L540 C604 N605 L1006 D1018 I1019 A1020L540-F1016 HydrophobicContact CD2-CB 4.19Å; L540-F1016 HydrophobicContact CD2-CD1 3.36Å; L540-F1016 HydrophobicContact CD2-CE1 3.98Å; L540-F1016 HydrophobicContact CD2-CG 4.04Å; C604-F1016 VanDerWaalsContact SG-CZ 3.59Å; N605-F1016 WeakPolarHBondContact ND2-CZ 3.38Å; N605-F1016 WeakPolarHBondContact OD1-CE2 3.48Å; L1006-F1016 HydrophobicContact CD1-CD1 3.86Å; L1006-F1016 HydrophobicContact CD1-CD2 4.23Å; L1006-F1016 HydrophobicContact CD1-CE1 3.63Å; L1006-F1016 HydrophobicContact CD1-CE2 4Å; L1006-F1016 HydrophobicContact CD1-CG 4.18Å; L1006-F1016 HydrophobicContact CD1-CZ 3.69Å; F1016-D1018 VanDerWaalsContact C-N 3.31Å; F1016-D1018 PolarHBondContact O-N 3.42Å; F1016-I1019 HydrophobicContact CD1-CD1 4.07Å; F1016-I1019 WeakPolarHBondContact O-CB 3.4Å; F1016-I1019 PolarHBondContact O-N 3.24Å; F1016-A1020 PolarHBondContact O-N 3.35Å
1017D87.9Confident90Very high133 Ų13334.8 Ų34.871%0.71120%0.201SC*.Hα-helixtrans-67.2-32.7176.3-67.1-25.4000112.1S1015 I1019 A1020S1015-D1017 PolarHBondContact O-N 2.76Å; S1015-D1017 PolarHBondContact OG-N 2.8Å; D1017-I1019 VanDerWaalsContact C-N 3.28Å; D1017-I1019 PolarHBondContact O-N 3.25Å; D1017-A1020 VanDerWaalsContact O-CB 3.3Å; D1017-A1020 WeakPolarHBondContact O-CB 3.42Å; D1017-A1020 PolarHBondContact O-N 2.77Å
1018D88.9Confident90.2Very high34 Ų3435.2 Ų35.218%0.18220%0.197CC..Hα-helixtrans-62.2-41.4173.2-60.9-42000110.3L938 H940 L1013 Q1014 S1015 F1016 A1020 Y1021L938-D1018 HydrophobicContact CD1-CB 4.45Å; H940-D1018 IonicContact CE1-OD1 2.88Å; H940-D1018 IonicContact NE2-OD1 3.55Å; L1013-D1018 HydrophobicContact CD1-CB 4.34Å; Q1014-D1018 PolarHBondContact N-OD2 2.97Å; S1015-D1018 PolarHBondContact N-OD2 2.9Å; S1015-D1018 WeakPolarHBondContact O-CB 3.44Å; S1015-D1018 PolarHBondContact O-N 2.95Å; F1016-D1018 VanDerWaalsContact C-N 3.31Å; F1016-D1018 PolarHBondContact O-N 3.42Å; D1018-A1020 VanDerWaalsContact C-N 3.29Å; D1018-A1020 PolarHBondContact O-N 2.74Å; D1018-Y1021 WeakPolarHBondContact O-CB 3.44Å; D1018-Y1021 PolarHBondContact O-N 3.46Å
1019I93.1Very high90.3Very high0 Ų041 Ų410%023%0.228CC..Hα-helixtrans-70.2-27.9179.6-50.2175.6000111.2L540 I999 F1002 L1006 L1013 F1016 D1017 Y1021 I1022L540-I1019 HydrophobicContact CD1-CB 3.84Å; L540-I1019 HydrophobicContact CD1-CG2 3.62Å; I999-I1019 HydrophobicContact CG1-CG2 4.49Å; I999-I1019 HydrophobicContact CG2-CG2 4.47Å; F1002-I1019 HydrophobicContact CB-CD1 3.95Å; F1002-I1019 HydrophobicContact CB-CG1 3.99Å; F1002-I1019 HydrophobicContact CB-CG2 3.94Å; L1006-I1019 HydrophobicContact CD1-CD1 4.19Å; L1006-I1019 HydrophobicContact CD2-CD1 4.06Å; L1006-I1019 HydrophobicContact CG-CD1 4.16Å; L1013-I1019 HydrophobicContact CD1-CD1 4.08Å; L1013-I1019 HydrophobicContact CD1-CG1 3.56Å; F1016-I1019 HydrophobicContact CD1-CD1 4.07Å; F1016-I1019 WeakPolarHBondContact O-CB 3.4Å; F1016-I1019 PolarHBondContact O-N 3.24Å; D1017-I1019 VanDerWaalsContact C-N 3.28Å; D1017-I1019 PolarHBondContact O-N 3.25Å; I1019-Y1021 PolarHBondContact O-N 3.45Å; I1019-I1022 PolarHBondContact O-N 3Å
1020A90Very high90.6Very high36 Ų3643.2 Ų43.230%0.29822%0.222SC..Hα-helixtrans-57.9-19.6177.300000113F1016 D1017 D1018 I1022 R1023 K1024F1016-A1020 PolarHBondContact O-N 3.35Å; D1017-A1020 VanDerWaalsContact O-CB 3.3Å; D1017-A1020 WeakPolarHBondContact O-CB 3.42Å; D1017-A1020 PolarHBondContact O-N 2.77Å; D1018-A1020 VanDerWaalsContact C-N 3.29Å; D1018-A1020 PolarHBondContact O-N 2.74Å; A1020-I1022 VanDerWaalsContact C-N 3.29Å; A1020-I1022 PolarHBondContact O-N 3.45Å; A1020-R1023 WeakPolarHBondContact O-CB 3.29Å; A1020-R1023 PolarHBondContact O-N 3.41Å; A1020-K1024 PolarHBondContact O-N 3.36Å
1021Y91.1Very high90.7Very high39 Ų3947 Ų4715%0.15325%0.245CC..Hα-helixtrans-55-42.5168.7-177.3-93.3000112.8G912 L938 D939 D1018 I1019 K1024 T1025G912-Y1021 VanDerWaalsContact CA-CE1 3.41Å; G912-Y1021 VanDerWaalsContact CA-OH 3.28Å; G912-Y1021 WeakPolarHBondContact CA-OH 3.35Å; L938-Y1021 HydrophobicContact CB-CD1 4.4Å; L938-Y1021 HydrophobicContact CB-CG 4.42Å; L938-Y1021 HydrophobicContact CD2-CD1 3.94Å; L938-Y1021 HydrophobicContact CD2-CG 4.45Å; D939-Y1021 HydrophobicContact CB-CD2 3.67Å; D939-Y1021 HydrophobicContact CB-CE2 3.46Å; D939-Y1021 VanDerWaalsContact CB-CE2 3.46Å; D1018-Y1021 WeakPolarHBondContact O-CB 3.44Å; D1018-Y1021 PolarHBondContact O-N 3.46Å; I1019-Y1021 PolarHBondContact O-N 3.45Å; Y1021-K1024 PolarHBondContact O-N 3.5Å; Y1021-T1025 HydrophobicContact CD1-CG2 3.88Å; Y1021-T1025 HydrophobicContact CE1-CG2 3.31Å; Y1021-T1025 HydrophobicContact CE2-CG2 4.04Å; Y1021-T1025 HydrophobicContact CG-CG2 4.48Å; Y1021-T1025 VanDerWaalsContact CZ-CG2 3.43Å; Y1021-T1025 WeakPolarHBondContact O-CG2 3.22Å; Y1021-T1025 PolarHBondContact O-N 3.33Å; Y1021-T1025 PolarHBondContact O-OG1 2.98Å
1022I93.3Very high91.1Very high1 Ų148.3 Ų48.31%0.00525%0.246CC..Hα-helixtrans-64.9-41.4177.6-68.3172.3000110.6L938 F1002 I1019 A1020 K1024 T1025 L1026L938-I1022 HydrophobicContact CD2-CD1 3.77Å; L938-I1022 HydrophobicContact CD2-CG1 3.55Å; F1002-I1022 HydrophobicContact CD2-CD1 3.28Å; F1002-I1022 HydrophobicContact CE2-CD1 3.29Å; F1002-I1022 HydrophobicContact CG-CD1 4.06Å; F1002-I1022 HydrophobicContact CZ-CD1 4.04Å; I1019-I1022 PolarHBondContact O-N 3Å; A1020-I1022 VanDerWaalsContact C-N 3.29Å; A1020-I1022 PolarHBondContact O-N 3.45Å; I1022-K1024 VanDerWaalsContact C-N 3.26Å; I1022-K1024 PolarHBondContact O-N 3.34Å; I1022-T1025 WeakPolarHBondContact CA-OG1 3.45Å; I1022-T1025 PolarHBondContact O-N 2.91Å; I1022-T1025 PolarHBondContact O-OG1 3.43Å; I1022-T1025 VanDerWaalsContact O-OG1 3.07Å; I1022-L1026 HydrophobicContact CG2-CD1 3.61Å; I1022-L1026 HydrophobicContact CG2-CG 4.24Å; I1022-L1026 WeakPolarHBondContact O-CB 3.46Å; I1022-L1026 WeakPolarHBondContact O-CG 3.47Å; I1022-L1026 PolarHBondContact O-N 2.97Å
1023R93.9Very high91.5Very high35 Ų3553.3 Ų53.313%0.13227%0.269CS..Hα-helixtrans-57.8-42.7176.3-55.9-178.881.2-118.5-20.4111.3D538 L540 I999 A1020 A1027 L1028 D1029D538-R1023 IonicContact OD1-CZ 2.68Å; D538-R1023 IonicContact OD1-NE 3.62Å; D538-R1023 PolarHBondContact OD1-NE 3.19Å; D538-R1023 IonicContact OD1-NH2 3.02Å; D538-R1023 IonicContact OD2-CZ 2.85Å; D538-R1023 IonicContact OD2-NE 3.27Å; D538-R1023 PolarHBondContact OD2-NE 3.38Å; D538-R1023 IonicContact OD2-NH2 3.85Å; D538-R1023 PolarHBondContact OD2-NH2 3.49Å; L540-R1023 HydrophobicContact CB-CG 4.44Å; L540-R1023 HydrophobicContact CD1-CG 4.32Å; I999-R1023 HydrophobicContact CD1-CG 4.09Å; A1020-R1023 WeakPolarHBondContact O-CB 3.29Å; A1020-R1023 PolarHBondContact O-N 3.41Å; R1023-A1027 WeakPolarHBondContact O-CA 3.46Å; R1023-A1027 PolarHBondContact O-N 3.38Å; R1023-L1028 HydrophobicContact CB-CD1 4.17Å; R1023-L1028 HydrophobicContact CG-CD1 4.17Å; R1023-L1028 PolarHBondContact O-N 3.01Å; R1023-L1028 VanDerWaalsContact O-N 3.1Å; R1023-D1029 IonicContact CZ-OD1 2.8Å; R1023-D1029 IonicContact NH1-OD1 2.8Å; R1023-D1029 IonicContact NH2-OD1 3.16Å; R1023-D1029 PolarHBondContact NH2-OD1 3.22Å
1024K91.2Very high91.7Very high145 Ų14557.8 Ų57.863%0.6329%0.291SS*.Hα-helixtrans-66.5-48.2178.5-179.8-179.6177.3178.90112.3A1020 Y1021 I1022 L1026 A1027A1020-K1024 PolarHBondContact O-N 3.36Å; Y1021-K1024 PolarHBondContact O-N 3.5Å; I1022-K1024 VanDerWaalsContact C-N 3.26Å; I1022-K1024 PolarHBondContact O-N 3.34Å; K1024-L1026 VanDerWaalsContact C-N 3.33Å; K1024-L1026 PolarHBondContact O-N 3.39Å; K1024-A1027 PolarHBondContact O-N 2.73Å; K1024-A1027 VanDerWaalsContact O-N 3.14Å
1025T91.9Very high92.1Very high3 Ų355 Ų552%0.01828%0.278CS..Hα-helixtrans-68.2-32.9-177.954.30000112.5F909 I910 Y988 Y1021 I1022 A1027 Y1038F909-T1025 WeakPolarHBondContact CE1-O 3.22Å; I910-T1025 PolarHBondContact O-OG1 3.48Å; Y988-T1025 WeakPolarHBondContact CE2-O 3.39Å; Y988-T1025 PolarHBondContact OH-O 2.89Å; Y988-T1025 VanDerWaalsContact OH-O 3.09Å; Y1021-T1025 HydrophobicContact CD1-CG2 3.88Å; Y1021-T1025 HydrophobicContact CE1-CG2 3.31Å; Y1021-T1025 HydrophobicContact CE2-CG2 4.04Å; Y1021-T1025 HydrophobicContact CG-CG2 4.48Å; Y1021-T1025 VanDerWaalsContact CZ-CG2 3.43Å; Y1021-T1025 WeakPolarHBondContact O-CG2 3.22Å; Y1021-T1025 PolarHBondContact O-N 3.33Å; Y1021-T1025 PolarHBondContact O-OG1 2.98Å; I1022-T1025 WeakPolarHBondContact CA-OG1 3.45Å; I1022-T1025 PolarHBondContact O-N 2.91Å; I1022-T1025 PolarHBondContact O-OG1 3.43Å; I1022-T1025 VanDerWaalsContact O-OG1 3.07Å; T1025-A1027 VanDerWaalsContact C-N 3.3Å; T1025-Y1038 WeakPolarHBondContact O-CE1 3.37Å
1026L95.7Very high92.3Very high0 Ų054.5 Ų54.50%027%0.272CS..THydrogen-bonded Turntrans-83.2-4.9173.1-67.2177.1000113.7I910 Y988 I991 R992 A995 I1022 K1024 L1028I910-L1026 HydrophobicContact CD1-CD2 3.78Å; I910-L1026 HydrophobicContact CG1-CD2 3.88Å; I910-L1026 HydrophobicContact CG2-CD1 4.46Å; I910-L1026 HydrophobicContact CG2-CD2 4.08Å; I910-L1026 HydrophobicContact CG2-CG 4.18Å; Y988-L1026 HydrophobicContact CD2-CD2 4.41Å; Y988-L1026 HydrophobicContact CE2-CD2 3.98Å; Y988-L1026 WeakPolarHBondContact OH-CA 3.15Å; Y988-L1026 PolarHBondContact OH-O 3.37Å; I991-L1026 HydrophobicContact CG2-CD2 4.25Å; R992-L1026 HydrophobicContact CB-CD2 4.21Å; R992-L1026 WeakPolarHBondContact CD-O 3.18Å; R992-L1026 HydrophobicContact CG-CB 4.42Å; R992-L1026 PolarHBondContact NE-O 3.02Å; A995-L1026 HydrophobicContact CB-CD1 3.79Å; I1022-L1026 HydrophobicContact CG2-CD1 3.61Å; I1022-L1026 HydrophobicContact CG2-CG 4.24Å; I1022-L1026 WeakPolarHBondContact O-CB 3.46Å; I1022-L1026 WeakPolarHBondContact O-CG 3.47Å; I1022-L1026 PolarHBondContact O-N 2.97Å; K1024-L1026 VanDerWaalsContact C-N 3.33Å; K1024-L1026 PolarHBondContact O-N 3.39Å; L1026-L1028 VanDerWaalsContact C-N 3.35Å; L1026-L1028 HydrophobicContact CB-CD2 3.64Å; L1026-L1028 HydrophobicContact CB-CG 3.94Å; L1026-L1028 HydrophobicContact CD1-CD2 4.39Å; L1026-L1028 PolarHBondContact O-N 2.95Å
1027A94.4Very high92.2Very high8 Ų856.2 Ų56.27%0.06628%0.283CS..THydrogen-bonded Turntrans46.554.7-176.700000112.4R992 R1023 K1024 T1025 D1029 K1030 A1035 Y1038R992-A1027 PolarHBondContact NH2-O 3.15Å; R1023-A1027 WeakPolarHBondContact O-CA 3.46Å; R1023-A1027 PolarHBondContact O-N 3.38Å; K1024-A1027 PolarHBondContact O-N 2.73Å; K1024-A1027 VanDerWaalsContact O-N 3.14Å; T1025-A1027 VanDerWaalsContact C-N 3.3Å; A1027-D1029 VanDerWaalsContact C-N 3.28Å; A1027-D1029 PolarHBondContact O-N 2.96Å; A1027-K1030 HydrophobicContact CB-CB 4.34Å; A1027-K1030 HydrophobicContact CB-CD 4.12Å; A1027-K1030 HydrophobicContact CB-CG 4.25Å; A1027-K1030 PolarHBondContact O-N 3.37Å; A1027-K1030 VanDerWaalsContact O-N 3.16Å; A1027-A1035 HydrophobicContact CB-CB 3.85Å; A1027-Y1038 HydrophobicContact CB-CD1 4.05Å
1028L94.8Very high92.3Very high30 Ų3052.1 Ų52.116%0.15726%0.258CS..THydrogen-bonded Turntrans-67.3-27.5-173.9-60.9-176.4000113.4D538 R992 A995 I999 R1023 L1026 K1030D538-L1028 HydrophobicContact CB-CD1 3.87Å; R992-L1028 HydrophobicContact CG-CD2 4.02Å; A995-L1028 HydrophobicContact CB-CD1 3.84Å; A995-L1028 HydrophobicContact CB-CD2 3.65Å; A995-L1028 HydrophobicContact CB-CG 4.41Å; I999-L1028 HydrophobicContact CD1-CD1 3.69Å; R1023-L1028 HydrophobicContact CB-CD1 4.17Å; R1023-L1028 HydrophobicContact CG-CD1 4.17Å; R1023-L1028 PolarHBondContact O-N 3.01Å; R1023-L1028 VanDerWaalsContact O-N 3.1Å; L1026-L1028 VanDerWaalsContact C-N 3.35Å; L1026-L1028 HydrophobicContact CB-CD2 3.64Å; L1026-L1028 HydrophobicContact CB-CG 3.94Å; L1026-L1028 HydrophobicContact CD1-CD2 4.39Å; L1026-L1028 PolarHBondContact O-N 2.95Å; L1028-K1030 PolarHBondContact O-N 3.27Å
1029D92.1Very high92.3Very high122 Ų12250.8 Ų50.865%0.65225%0.25SS*.THydrogen-bonded Turntrans-77.42.2176.1-49.3-50.3000113.4R1023 A1027R1023-D1029 IonicContact CZ-OD1 2.8Å; R1023-D1029 IonicContact NH1-OD1 2.8Å; R1023-D1029 IonicContact NH2-OD1 3.16Å; R1023-D1029 PolarHBondContact NH2-OD1 3.22Å; A1027-D1029 VanDerWaalsContact C-N 3.28Å; A1027-D1029 PolarHBondContact O-N 2.96Å
1030K92.9Very high92Very high102 Ų10253.7 Ų53.744%0.44327%0.265SS..SBendtrans-112.8167.8-179.5-57.9-167.1-177-178.80112.2R992 A1027 L1028 E1034R992-K1030 PolarHBondContact NH2-O 3Å; A1027-K1030 HydrophobicContact CB-CB 4.34Å; A1027-K1030 HydrophobicContact CB-CD 4.12Å; A1027-K1030 HydrophobicContact CB-CG 4.25Å; A1027-K1030 PolarHBondContact O-N 3.37Å; A1027-K1030 VanDerWaalsContact O-N 3.16Å; L1028-K1030 PolarHBondContact O-N 3.27Å; K1030-E1034 HydrophobicContact CB-CB 3.96Å; K1030-E1034 HydrophobicContact CD-CB 4.06Å
1031T92.6Very high91.9Very high80 Ų8058 Ų5849%0.49128%0.277SS..  trans-69.3162.8168.764.10000111.5Q1033 E1034 A1035T1031-Q1033 VanDerWaalsContact C-N 3.29Å; T1031-Q1033 PolarHBondContact O-N 3.19Å; T1031-E1034 WeakPolarHBondContact CB-OE2 3.31Å; T1031-E1034 PolarHBondContact N-OE2 3.18Å; T1031-E1034 PolarHBondContact O-N 3.32Å; T1031-E1034 VanDerWaalsContact OG1-CD 3.25Å; T1031-E1034 VanDerWaalsContact OG1-CG 3.24Å; T1031-E1034 WeakPolarHBondContact OG1-CG 3.42Å; T1031-E1034 PolarHBondContact OG1-N 2.88Å; T1031-E1034 PolarHBondContact OG1-OE2 3.25Å; T1031-A1035 WeakPolarHBondContact O-CB 3.45Å; T1031-A1035 PolarHBondContact O-N 3.07Å
1032E92.3Very high91.6Very high91 Ų9158.8 Ų58.843%0.42528%0.282SS..Hα-helixtrans-58.2-41179-167.5176.59100112.3L989 Q993 A1035 L1036L989-E1032 HydrophobicContact CD1-CG 4.44Å; L989-E1032 HydrophobicContact CD2-CG 3.62Å; Q993-E1032 PolarHBondContact NE2-OE2 3.25Å; E1032-A1035 PolarHBondContact O-N 2.93Å; E1032-L1036 PolarHBondContact O-N 2.84Å
1033Q91.7Very high90.9Very high118 Ų11859.1 Ų59.155%0.55128%0.283SS*.Hα-helixtrans-65.4-46.9178.6-176.159.351.500111.9T1031 A1035 L1036 D1037T1031-Q1033 VanDerWaalsContact C-N 3.29Å; T1031-Q1033 PolarHBondContact O-N 3.19Å; Q1033-A1035 VanDerWaalsContact C-N 3.28Å; Q1033-A1035 PolarHBondContact O-N 2.88Å; Q1033-L1036 WeakPolarHBondContact O-CB 3.42Å; Q1033-L1036 PolarHBondContact O-N 2.97Å; Q1033-L1036 VanDerWaalsContact O-N 3.17Å; Q1033-D1037 PolarHBondContact NE2-OD1 3.44Å; Q1033-D1037 VanDerWaalsContact O-CG 3.3Å; Q1033-D1037 PolarHBondContact O-N 3.44Å
1034E94.8Very high90.2Very high95 Ų9560.8 Ų60.844%0.44430%0.295SS..Hα-helixtrans-66.2-32.1178.2-68.4167.9135.400112.3K1030 T1031 Y1038K1030-E1034 HydrophobicContact CB-CB 3.96Å; K1030-E1034 HydrophobicContact CD-CB 4.06Å; T1031-E1034 WeakPolarHBondContact CB-OE2 3.31Å; T1031-E1034 PolarHBondContact N-OE2 3.18Å; T1031-E1034 PolarHBondContact O-N 3.32Å; T1031-E1034 VanDerWaalsContact OG1-CD 3.25Å; T1031-E1034 VanDerWaalsContact OG1-CG 3.24Å; T1031-E1034 WeakPolarHBondContact OG1-CG 3.42Å; T1031-E1034 PolarHBondContact OG1-N 2.88Å; T1031-E1034 PolarHBondContact OG1-OE2 3.25Å; E1034-Y1038 WeakPolarHBondContact O-CB 3.39Å; E1034-Y1038 PolarHBondContact O-N 3.31Å
1035A92.9Very high89.4Confident0 Ų058.1 Ų58.10%029%0.287CS..Hα-helixtrans-67.1-38.6173.800000111.5Y988 R992 A1027 T1031 E1032 Q1033 Y1038 F1039Y988-A1035 HydrophobicContact CE1-CB 4.28Å; Y988-A1035 WeakPolarHBondContact CE1-O 3.41Å; Y988-A1035 PolarHBondContact OH-O 3.47Å; R992-A1035 VanDerWaalsContact NE-CB 3.29Å; A1027-A1035 HydrophobicContact CB-CB 3.85Å; T1031-A1035 WeakPolarHBondContact O-CB 3.45Å; T1031-A1035 PolarHBondContact O-N 3.07Å; E1032-A1035 PolarHBondContact O-N 2.93Å; Q1033-A1035 VanDerWaalsContact C-N 3.28Å; Q1033-A1035 PolarHBondContact O-N 2.88Å; A1035-Y1038 WeakPolarHBondContact O-CB 3.5Å; A1035-F1039 PolarHBondContact O-N 3.22Å
1036L91.6Very high88.3Confident28 Ų2858.4 Ų58.415%0.14729%0.29CS..Hα-helixtrans-65.6-46.4173.3-18060.6000111.3Y985 L989 E1032 Q1033 Y1038 F1039 M1040Y985-L1036 HydrophobicContact CD1-CD1 4.12Å; Y985-L1036 HydrophobicContact CG-CD1 3.93Å; L989-L1036 HydrophobicContact CD1-CD2 4.43Å; L989-L1036 HydrophobicContact CD2-CB 4.39Å; E1032-L1036 PolarHBondContact O-N 2.84Å; Q1033-L1036 WeakPolarHBondContact O-CB 3.42Å; Q1033-L1036 PolarHBondContact O-N 2.97Å; Q1033-L1036 VanDerWaalsContact O-N 3.17Å; L1036-Y1038 VanDerWaalsContact C-N 3.26Å; L1036-Y1038 PolarHBondContact O-N 3.34Å; L1036-F1039 PolarHBondContact O-N 3.03Å; L1036-F1039 VanDerWaalsContact O-N 3.1Å; L1036-M1040 HydrophobicContact CD1-CG 4.35Å; L1036-M1040 HydrophobicContact CG-CG 4.46Å; L1036-M1040 HydrophobicContact CG-SD 4.14Å; L1036-M1040 WeakPolarHBondContact O-CG 3.45Å; L1036-M1040 PolarHBondContact O-N 3.3Å
1037D90.2Very high86.8Confident81 Ų8161.1 Ų61.143%0.43330%0.303SS..Hα-helixtrans-60.3-39177.4-65.4-18.7000111.3Q1033 K1041Q1033-D1037 PolarHBondContact NE2-OD1 3.44Å; Q1033-D1037 VanDerWaalsContact O-CG 3.3Å; Q1033-D1037 PolarHBondContact O-N 3.44Å; D1037-K1041 WeakPolarHBondContact O-CB 3.33Å; D1037-K1041 PolarHBondContact O-N 3.23Å
1038Y88.6Confident85.1Confident46 Ų4668.1 Ų68.118%0.1833%0.334CS..Hα-helixtrans-59.4-50172.2168.1-107.3000111.7F909 T1025 A1027 E1034 A1035 L1036 K1041 Q1042F909-Y1038 AromaticContact CZ-CE1 3.89Å; F909-Y1038 HydrophobicContact CZ-CE1 3.89Å; T1025-Y1038 WeakPolarHBondContact O-CE1 3.37Å; A1027-Y1038 HydrophobicContact CB-CD1 4.05Å; E1034-Y1038 WeakPolarHBondContact O-CB 3.39Å; E1034-Y1038 PolarHBondContact O-N 3.31Å; A1035-Y1038 WeakPolarHBondContact O-CB 3.5Å; L1036-Y1038 VanDerWaalsContact C-N 3.26Å; L1036-Y1038 PolarHBondContact O-N 3.34Å; Y1038-K1041 WeakPolarHBondContact O-CB 3.48Å; Y1038-K1041 PolarHBondContact O-N 3Å; Y1038-Q1042 HydrophobicContact CD2-CG 4.26Å; Y1038-Q1042 HydrophobicContact CE1-CG 4.23Å; Y1038-Q1042 HydrophobicContact CE2-CG 3.74Å; Y1038-Q1042 WeakPolarHBondContact O-CG 3.26Å; Y1038-Q1042 PolarHBondContact O-N 3.13Å
1039F89.4Confident82.9Confident7 Ų767.8 Ų67.83%0.03134%0.338CS..Hα-helixtrans-63.2-43.1179.4-179.9-116000112.2V906 F909 C984 Y985 Y988 A1035 L1036 K1041 Q1042 M1043V906-F1039 HydrophobicContact CG2-CE1 4.42Å; V906-F1039 HydrophobicContact CG2-CZ 3.86Å; F909-F1039 HydrophobicContact CB-CE2 4.45Å; F909-F1039 AromaticContact CD1-CD2 3.68Å; F909-F1039 HydrophobicContact CD1-CD2 3.68Å; F909-F1039 AromaticContact CD1-CE2 3.59Å; F909-F1039 HydrophobicContact CD1-CE2 3.59Å; F909-F1039 AromaticContact CE1-CD2 3.57Å; F909-F1039 HydrophobicContact CE1-CD2 3.57Å; F909-F1039 AromaticContact CE1-CE2 3.99Å; F909-F1039 HydrophobicContact CE1-CE2 3.99Å; F909-F1039 HydrophobicContact CG-CD2 4.37Å; F909-F1039 AromaticContact CG-CE2 4Å; F909-F1039 HydrophobicContact CG-CE2 4Å; F909-F1039 HydrophobicContact CZ-CD2 4.16Å; C984-F1039 HydrophobicContact CB-CE1 4.07Å; C984-F1039 HydrophobicContact CB-CZ 4.37Å; Y985-F1039 AromaticContact CD1-CD1 3.98Å; Y985-F1039 HydrophobicContact CD1-CD1 3.98Å; Y985-F1039 AromaticContact CD1-CE1 4Å; Y985-F1039 HydrophobicContact CD1-CE1 4Å; Y985-F1039 HydrophobicContact CE1-CD1 4.49Å; Y985-F1039 HydrophobicContact CE1-CE1 4.5Å; Y988-F1039 HydrophobicContact CD1-CB 3.95Å; Y988-F1039 HydrophobicContact CD1-CD1 4.17Å; Y988-F1039 HydrophobicContact CD1-CG 4.05Å; Y988-F1039 HydrophobicContact CD2-CB 4.29Å; Y988-F1039 HydrophobicContact CD2-CD1 4.37Å; Y988-F1039 AromaticContact CD2-CD2 3.8Å; Y988-F1039 HydrophobicContact CD2-CD2 3.8Å; Y988-F1039 HydrophobicContact CD2-CE2 4.21Å; Y988-F1039 AromaticContact CD2-CG 3.89Å; Y988-F1039 HydrophobicContact CD2-CG 3.89Å; Y988-F1039 HydrophobicContact CE1-CB 3.83Å; Y988-F1039 HydrophobicContact CE1-CG 4.37Å; Y988-F1039 HydrophobicContact CE2-CB 4.18Å; Y988-F1039 HydrophobicContact CE2-CD2 4.1Å; Y988-F1039 HydrophobicContact CE2-CG 4.22Å; Y988-F1039 HydrophobicContact CG-CB 4.17Å; Y988-F1039 AromaticContact CG-CD1 3.88Å; Y988-F1039 HydrophobicContact CG-CD1 3.88Å; Y988-F1039 HydrophobicContact CG-CD2 4.15Å; Y988-F1039 HydrophobicContact CG-CE1 4.31Å; Y988-F1039 AromaticContact CG-CG 3.79Å; Y988-F1039 HydrophobicContact CG-CG 3.79Å; A1035-F1039 PolarHBondContact O-N 3.22Å; L1036-F1039 PolarHBondContact O-N 3.03Å; L1036-F1039 VanDerWaalsContact O-N 3.1Å; F1039-K1041 VanDerWaalsContact C-N 3.31Å; F1039-K1041 PolarHBondContact O-N 2.88Å; F1039-Q1042 PolarHBondContact O-N 3.33Å; F1039-M1043 HydrophobicContact CD1-CE 4.23Å; F1039-M1043 HydrophobicContact CE1-CE 3.33Å; F1039-M1043 HydrophobicContact CE2-CE 4.39Å; F1039-M1043 HydrophobicContact CZ-CE 3.42Å; F1039-M1043 VanDerWaalsContact CZ-CE 3.42Å; F1039-M1043 PolarHBondContact O-N 2.98Å
1040M87.3Confident80.6Confident61 Ų6163.5 Ų63.530%0.332%0.322SS..Hα-helixtrans-57.5-44.5174.7-72.4176.566.200111.6Y985 L1036 M1043 N1044Y985-M1040 HydrophobicContact CD1-CG 4.21Å; Y985-M1040 HydrophobicContact CE1-CG 3.68Å; Y985-M1040 HydrophobicContact CE2-CG 4.42Å; L1036-M1040 HydrophobicContact CD1-CG 4.35Å; L1036-M1040 HydrophobicContact CG-CG 4.46Å; L1036-M1040 HydrophobicContact CG-SD 4.14Å; L1036-M1040 WeakPolarHBondContact O-CG 3.45Å; L1036-M1040 PolarHBondContact O-N 3.3Å; M1040-M1043 PolarHBondContact O-N 2.93Å; M1040-N1044 WeakPolarHBondContact O-CB 3.43Å; M1040-N1044 VanDerWaalsContact O-CG 3.28Å; M1040-N1044 PolarHBondContact O-N 3.19Å; M1040-N1044 PolarHBondContact O-ND2 2.94Å
1041K86.4Confident77.7Confident127 Ų12769.8 Ų69.855%0.55234%0.344SS*.Hα-helixtrans-60.7-47.7175.5-176.8179.8177.6179.60111.7D1037 Y1038 F1039 M1043 N1044 D1045D1037-K1041 WeakPolarHBondContact O-CB 3.33Å; D1037-K1041 PolarHBondContact O-N 3.23Å; Y1038-K1041 WeakPolarHBondContact O-CB 3.48Å; Y1038-K1041 PolarHBondContact O-N 3Å; F1039-K1041 VanDerWaalsContact C-N 3.31Å; F1039-K1041 PolarHBondContact O-N 2.88Å; K1041-M1043 VanDerWaalsContact C-N 3.3Å; K1041-M1043 PolarHBondContact O-N 3.32Å; K1041-N1044 PolarHBondContact O-N 3.4Å; K1041-D1045 WeakPolarHBondContact O-CB 3.19Å; K1041-D1045 VanDerWaalsContact O-CG 3.3Å; K1041-D1045 PolarHBondContact O-N 2.82Å
1042Q85Confident75.3Confident54 Ų5469 Ų6925%0.25234%0.339SS..Hα-helixtrans-60.3-39.9178.5-66.8-53.8-70.400112.2F909 Y1038 F1039 A1046F909-Q1042 HydrophobicContact CE2-CB 3.85Å; F909-Q1042 HydrophobicContact CE2-CG 3.91Å; F909-Q1042 HydrophobicContact CZ-CB 4.2Å; F909-Q1042 HydrophobicContact CZ-CG 4Å; Y1038-Q1042 HydrophobicContact CD2-CG 4.26Å; Y1038-Q1042 HydrophobicContact CE1-CG 4.23Å; Y1038-Q1042 HydrophobicContact CE2-CG 3.74Å; Y1038-Q1042 WeakPolarHBondContact O-CG 3.26Å; Y1038-Q1042 PolarHBondContact O-N 3.13Å; F1039-Q1042 PolarHBondContact O-N 3.33Å; Q1042-A1046 VanDerWaalsContact O-CB 3.27Å; Q1042-A1046 WeakPolarHBondContact O-CB 3.44Å; Q1042-A1046 PolarHBondContact O-N 2.82Å; Q1042-A1046 VanDerWaalsContact O-N 3.09Å
1043M79.6Confident73.1Confident8 Ų866.2 Ų66.24%0.03933%0.328CS..Hα-helixtrans-65.6-42.2176.8-167.1-175.3-68.500112F954 Q981 C984 Y985 F1039 M1040 K1041 A1046 H1047F954-M1043 HydrophobicContact CE1-CG 4.02Å; F954-M1043 HydrophobicContact CZ-CG 3.86Å; Q981-M1043 HydrophobicContact CG-SD 4.36Å; C984-M1043 HydrophobicContact CB-CE 3.46Å; C984-M1043 VanDerWaalsContact CB-CE 3.46Å; Y985-M1043 HydrophobicContact CD1-CE 4.38Å; Y985-M1043 HydrophobicContact CE1-CE 3.97Å; Y985-M1043 HydrophobicContact CE1-SD 4.14Å; F1039-M1043 HydrophobicContact CD1-CE 4.23Å; F1039-M1043 HydrophobicContact CE1-CE 3.33Å; F1039-M1043 HydrophobicContact CE2-CE 4.39Å; F1039-M1043 HydrophobicContact CZ-CE 3.42Å; F1039-M1043 VanDerWaalsContact CZ-CE 3.42Å; F1039-M1043 PolarHBondContact O-N 2.98Å; M1040-M1043 PolarHBondContact O-N 2.93Å; K1041-M1043 VanDerWaalsContact C-N 3.3Å; K1041-M1043 PolarHBondContact O-N 3.32Å; M1043-A1046 PolarHBondContact O-N 3.49Å; M1043-H1047 PolarHBondContact O-N 3.17Å; M1043-H1047 VanDerWaalsContact O-N 3.13Å
1044N78.4Confident70.9Confident71 Ų7164.3 Ų64.338%0.3832%0.318SS..Hα-helixtrans-67.6-42.5178.1-73.6-25.7000112.6M1040 K1041 A1046 H1047 H1048M1040-N1044 WeakPolarHBondContact O-CB 3.43Å; M1040-N1044 VanDerWaalsContact O-CG 3.28Å; M1040-N1044 PolarHBondContact O-N 3.19Å; M1040-N1044 PolarHBondContact O-ND2 2.94Å; K1041-N1044 PolarHBondContact O-N 3.4Å; N1044-A1046 VanDerWaalsContact C-N 3.3Å; N1044-A1046 PolarHBondContact O-N 2.92Å; N1044-H1047 WeakPolarHBondContact O-CB 3.41Å; N1044-H1047 PolarHBondContact O-N 3.03Å; N1044-H1048 PolarHBondContact O-N 3.27Å; N1044-H1048 PolarHBondContact O-ND1 2.94Å
1045D75.3Confident68.3Low88 Ų8865.3 Ų65.347%0.47132%0.324SS..Hα-helixtrans-62.8-40.9177.3-71.4-16.1000110.6K1041 H1047 H1048 G1049K1041-D1045 WeakPolarHBondContact O-CB 3.19Å; K1041-D1045 VanDerWaalsContact O-CG 3.3Å; K1041-D1045 PolarHBondContact O-N 2.82Å; D1045-H1047 VanDerWaalsContact C-N 3.32Å; D1045-H1047 PolarHBondContact O-N 3.33Å; D1045-H1048 PolarHBondContact O-N 3.47Å; D1045-G1049 PolarHBondContact O-N 3.32Å
1046A68.3Low66.3Low10 Ų1068.1 Ų68.18%0.08334%0.339CS..Hα-helixtrans-66.9-32.4178.600000113.2V952 F954 Q1042 M1043 N1044 G1049V952-A1046 HydrophobicContact CG1-CB 3.26Å; F954-A1046 HydrophobicContact CB-CB 3.85Å; F954-A1046 HydrophobicContact CD1-CB 3.44Å; F954-A1046 VanDerWaalsContact CD1-CB 3.44Å; F954-A1046 HydrophobicContact CE1-CB 4.35Å; F954-A1046 HydrophobicContact CG-CB 4.1Å; Q1042-A1046 VanDerWaalsContact O-CB 3.27Å; Q1042-A1046 WeakPolarHBondContact O-CB 3.44Å; Q1042-A1046 PolarHBondContact O-N 2.82Å; Q1042-A1046 VanDerWaalsContact O-N 3.09Å; M1043-A1046 PolarHBondContact O-N 3.49Å; N1044-A1046 VanDerWaalsContact C-N 3.3Å; N1044-A1046 PolarHBondContact O-N 2.92Å; A1046-G1049 PolarHBondContact O-N 3.46Å
1047H64.1Low64.5Low57 Ų5768.1 Ų68.126%0.26434%0.337SS..Hα-helixtrans-64.1-40.1175.6-178.265000112.9L961 T972 M1043 N1044 D1045L961-H1047 VanDerWaalsContact CD1-CE1 3.49Å; L961-H1047 WeakPolarHBondContact CD1-CE1 3.38Å; T972-H1047 VanDerWaalsContact CG2-CE1 3.47Å; T972-H1047 WeakPolarHBondContact CG2-CE1 3.23Å; T972-H1047 WeakPolarHBondContact CG2-NE2 3.29Å; M1043-H1047 PolarHBondContact O-N 3.17Å; M1043-H1047 VanDerWaalsContact O-N 3.13Å; N1044-H1047 WeakPolarHBondContact O-CB 3.41Å; N1044-H1047 PolarHBondContact O-N 3.03Å; D1045-H1047 VanDerWaalsContact C-N 3.32Å; D1045-H1047 PolarHBondContact O-N 3.33Å
1048H59.8Low62.7Low155 Ų15568 Ų6872%0.71834%0.336SS*.Hα-helixtrans-80.9-12.4-178.7-64.884.7000113.6N1044 D1045N1044-H1048 PolarHBondContact O-N 3.27Å; N1044-H1048 PolarHBondContact O-ND1 2.94Å; D1045-H1048 PolarHBondContact O-N 3.47Å
1049G48.5Very low60.9Low23 Ų2372.2 Ų72.224%0.23736%0.355CS..THydrogen-bonded Turntrans-83.4-1.7-178.200000116.7D1045 A1046 W1051 T1052D1045-G1049 PolarHBondContact O-N 3.32Å; A1046-G1049 PolarHBondContact O-N 3.46Å; G1049-W1051 PolarHBondContact O-N 3.38Å; G1049-T1052 PolarHBondContact O-N 3.03Å; G1049-T1052 PolarHBondContact O-OG1 3.36Å
1050G42.2Very low59Low32 Ų3273.9 Ų73.933%0.3336%0.363SS..Hα-helixtrans-61.6-7.4-168.400000117.7
1051W31.9Very low57Low234 Ų23472 Ų7289%0.88636%0.355SS*.Hα-helixtrans-71.4-31.1173.7-96.961.5000113.3G1049G1049-W1051 PolarHBondContact O-N 3.38Å
1052T42.3Very low55.1Low64 Ų6470.8 Ų70.839%0.39335%0.353SS..Hα-helixtrans-75.5-37.3179.449.60000112.5G1049 K1054 M1055 D1056G1049-T1052 PolarHBondContact O-N 3.03Å; G1049-T1052 PolarHBondContact O-OG1 3.36Å; T1052-K1054 PolarHBondContact O-N 2.77Å; T1052-M1055 PolarHBondContact O-N 3.44Å; T1052-D1056 PolarHBondContact O-N 3.1Å
1053T46.8Very low53.2Low31 Ų3176 Ų7619%0.1937%0.371CS..Hα-helixtrans-66.3-37179.9-12.10000113V955 M1055 D1056 W1057V955-T1053 HydrophobicContact CG1-CG2 3.96Å; V955-T1053 HydrophobicContact CG2-CG2 4.2Å; T1053-M1055 VanDerWaalsContact C-N 3.34Å; T1053-M1055 PolarHBondContact O-N 2.79Å; T1053-D1056 PolarHBondContact O-N 3.05Å; T1053-W1057 PolarHBondContact O-N 3.14Å
1054K44.7Very low51.3Low78 Ų7880.1 Ų80.134%0.33939%0.39SS..Hα-helixtrans-65-34.9176.7-75.9-175.4178.9179.50112.9T1052 W1057 I1058T1052-K1054 PolarHBondContact O-N 2.77Å; K1054-W1057 HydrophobicContact CG-CE3 4.38Å; K1054-W1057 PolarHBondContact O-N 2.9Å; K1054-I1058 WeakPolarHBondContact O-CG1 3.39Å; K1054-I1058 PolarHBondContact O-N 3.15Å
1055M42Very low49.6Very low117 Ų11782.6 Ų82.658%0.57640%0.399SS*.Hα-helixtrans-68.4-43.4175.2-78-65.9-148.900111.4T1052 T1053 W1057 I1058 F1059T1052-M1055 PolarHBondContact O-N 3.44Å; T1053-M1055 VanDerWaalsContact C-N 3.34Å; T1053-M1055 PolarHBondContact O-N 2.79Å; M1055-W1057 VanDerWaalsContact C-N 3.27Å; M1055-W1057 PolarHBondContact O-N 2.99Å; M1055-I1058 PolarHBondContact O-N 3.4Å; M1055-I1058 HydrophobicContact SD-CD1 4.31Å; M1055-F1059 WeakPolarHBondContact O-CD2 3.38Å; M1055-F1059 PolarHBondContact O-N 3.32Å; M1055-F1059 VanDerWaalsContact O-N 3.15Å
1056D49.8Very low47.6Very low58 Ų5882.2 Ų82.231%0.3141%0.408SS..Hα-helixtrans-59.9-37.6174.4-77.2-35.4000112T1052 T1053 I1058 F1059 H1060T1052-D1056 PolarHBondContact O-N 3.1Å; T1053-D1056 PolarHBondContact O-N 3.05Å; D1056-I1058 PolarHBondContact O-N 3.4Å; D1056-F1059 PolarHBondContact O-N 3.31Å; D1056-H1060 PolarHBondContact O-CD2 3.36Å; D1056-H1060 VanDerWaalsContact O-CD2 3.31Å; D1056-H1060 PolarHBondContact O-N 2.99Å
1057W54.6Low45.8Very low29 Ų2988.6 Ų88.611%0.1144%0.437CS..Hα-helixtrans-63-39.2175.3-65-3.3000113.2N918 V955 T957 T1053 K1054 M1055 H1060 T1061N918-W1057 WeakPolarHBondContact OD1-CH2 3.28Å; N918-W1057 VanDerWaalsContact OD1-CZ2 3.22Å; N918-W1057 WeakPolarHBondContact OD1-CZ2 3.3Å; V955-W1057 HydrophobicContact CG1-CZ2 4.27Å; T957-W1057 HydrophobicContact CG2-CH2 3.17Å; T957-W1057 HydrophobicContact CG2-CZ2 3.29Å; T957-W1057 HydrophobicContact CG2-CZ3 4.38Å; T1053-W1057 PolarHBondContact O-N 3.14Å; K1054-W1057 HydrophobicContact CG-CE3 4.38Å; K1054-W1057 PolarHBondContact O-N 2.9Å; M1055-W1057 VanDerWaalsContact C-N 3.27Å; M1055-W1057 PolarHBondContact O-N 2.99Å; W1057-H1060 PolarHBondContact O-N 2.97Å; W1057-T1061 WeakPolarHBondContact O-CB 3.43Å; W1057-T1061 PolarHBondContact O-N 2.77Å; W1057-T1061 PolarHBondContact O-OG1 3.21Å
1058I50.8Low44.2Very low79 Ų7994.2 Ų94.241%0.40547%0.47SS..Hα-helixtrans-63.3-45.7175.5-67.5165000109.9K1054 M1055 D1056 H1060 T1061 I1062K1054-I1058 WeakPolarHBondContact O-CG1 3.39Å; K1054-I1058 PolarHBondContact O-N 3.15Å; M1055-I1058 PolarHBondContact O-N 3.4Å; M1055-I1058 HydrophobicContact SD-CD1 4.31Å; D1056-I1058 PolarHBondContact O-N 3.4Å; I1058-H1060 PolarHBondContact O-N 3.41Å; I1058-T1061 PolarHBondContact O-N 3.21Å; I1058-I1062 HydrophobicContact CG2-CD1 3.64Å; I1058-I1062 HydrophobicContact CG2-CG1 4.36Å; I1058-I1062 VanDerWaalsContact O-CG1 3.25Å; I1058-I1062 WeakPolarHBondContact O-CG1 3.49Å; I1058-I1062 PolarHBondContact O-N 2.65Å
1059F51.3Low43.4Very low134 Ų13491.2 Ų91.259%0.58846%0.457SS*.Hα-helixtrans-62.9-39.6177.5-73.6-68.7000113.1M1055 D1056 R1063M1055-F1059 WeakPolarHBondContact O-CD2 3.38Å; M1055-F1059 PolarHBondContact O-N 3.32Å; M1055-F1059 VanDerWaalsContact O-N 3.15Å; D1056-F1059 PolarHBondContact O-N 3.31Å; F1059-R1063 WeakPolarHBondContact O-CB 3.28Å; F1059-R1063 PolarHBondContact O-N 2.96Å; F1059-R1063 VanDerWaalsContact O-N 3.14Å
1060H49.5Very low43.1Very low42 Ų4294.8 Ų94.819%0.19447%0.469CS..Hα-helixtrans-67-39.9175.2-88-88.7000112.6H917 R949 D1056 W1057 I1058 R1063 Q1064H917-H1060 AromaticContact CD2-CE1 3.85Å; H917-H1060 AromaticContact NE2-CE1 3.98Å; R949-H1060 PolarHBondContact NH2-NE2 2.96Å; D1056-H1060 PolarHBondContact O-CD2 3.36Å; D1056-H1060 VanDerWaalsContact O-CD2 3.31Å; D1056-H1060 PolarHBondContact O-N 2.99Å; W1057-H1060 PolarHBondContact O-N 2.97Å; I1058-H1060 PolarHBondContact O-N 3.41Å; H1060-R1063 PolarHBondContact O-N 2.93Å; H1060-Q1064 PolarHBondContact O-N 3.06Å; H1060-Q1064 VanDerWaalsContact O-N 3.1Å
1061T46.5Very low43.2Very low21 Ų2198.3 Ų98.313%0.12948%0.477CS..Hα-helixtrans-66.2-44178-51.70000111.5M858 F872 W1057 I1058 R1063 Q1064 H1065M858-T1061 HydrophobicContact CE-CG2 4.47Å; M858-T1061 VanDerWaalsContact CE-OG1 3.31Å; M858-T1061 WeakPolarHBondContact CE-OG1 3.28Å; F872-T1061 HydrophobicContact CE2-CG2 4.19Å; F872-T1061 HydrophobicContact CZ-CG2 4.44Å; W1057-T1061 WeakPolarHBondContact O-CB 3.43Å; W1057-T1061 PolarHBondContact O-N 2.77Å; W1057-T1061 PolarHBondContact O-OG1 3.21Å; I1058-T1061 PolarHBondContact O-N 3.21Å; T1061-R1063 PolarHBondContact O-N 3.48Å; T1061-R1063 VanDerWaalsContact C-N 3.32Å; T1061-Q1064 PolarHBondContact O-N 3.21Å; T1061-H1065 PolarHBondContact O-N 3.34Å
1062I45.4Very low43.9Very low102 Ų10290.3 Ų90.352%0.52345%0.452SS..Hα-helixtrans-61.4-40.8176.1-68.2167.2000110.9I1058 H1065 A1066I1058-I1062 HydrophobicContact CG2-CD1 3.64Å; I1058-I1062 HydrophobicContact CG2-CG1 4.36Å; I1058-I1062 VanDerWaalsContact O-CG1 3.25Å; I1058-I1062 WeakPolarHBondContact O-CG1 3.49Å; I1058-I1062 PolarHBondContact O-N 2.65Å; I1062-H1065 PolarHBondContact O-N 3.23Å; I1062-A1066 WeakPolarHBondContact O-CB 3.46Å; I1062-A1066 PolarHBondContact O-N 3.06Å
1063R44.9Very low44Very low164 Ų16491.9 Ų91.962%0.61946%0.456SS*.Hα-helixtrans-66.7-38178.9-166.9177.4-177.8178.80.5112.7F1059 H1060 T1061 M1067F1059-R1063 WeakPolarHBondContact O-CB 3.28Å; F1059-R1063 PolarHBondContact O-N 2.96Å; F1059-R1063 VanDerWaalsContact O-N 3.14Å; H1060-R1063 PolarHBondContact O-N 2.93Å; T1061-R1063 PolarHBondContact O-N 3.48Å; T1061-R1063 VanDerWaalsContact C-N 3.32Å; R1063-M1067 WeakPolarHBondContact O-CG 3.4Å; R1063-M1067 PolarHBondContact O-N 3.4Å
1064Q40.8Very low43.8Very low94 Ų9496 Ų9644%0.43947%0.474SS..Hα-helixtrans-70.1-38.7174.1-92.6-175.6-11.700112.5H1060 T1061 A1066 M1067 N1068H1060-Q1064 PolarHBondContact O-N 3.06Å; H1060-Q1064 VanDerWaalsContact O-N 3.1Å; T1061-Q1064 PolarHBondContact O-N 3.21Å; Q1064-A1066 VanDerWaalsContact C-N 3.3Å; Q1064-A1066 PolarHBondContact O-N 3.42Å; Q1064-M1067 PolarHBondContact O-N 3.4Å; Q1064-N1068 PolarHBondContact O-N 3.18Å
1065H41.3Very low43.7Very low122 Ų12297.3 Ų97.357%0.56548%0.484SS*.Hα-helixtrans-69.8-24.2174.9-82.97.5000113.9T1061 I1062 M1067T1061-H1065 PolarHBondContact O-N 3.34Å; I1062-H1065 PolarHBondContact O-N 3.23Å; H1065-M1067 VanDerWaalsContact C-N 3.32Å
1066A33.9Very low43.8Very low80 Ų8095.8 Ų95.866%0.66148%0.476SS*.THydrogen-bonded Turntrans-81.7-9.6172.900000113.8I1062 Q1064I1062-A1066 WeakPolarHBondContact O-CB 3.46Å; I1062-A1066 PolarHBondContact O-N 3.06Å; Q1064-A1066 VanDerWaalsContact C-N 3.3Å; Q1064-A1066 PolarHBondContact O-N 3.42Å
1067M31.3Very low43.3Very low144 Ų14498.9 Ų98.971%0.70949%0.49SS*.THydrogen-bonded Turntrans-107.2-11.4-179.3-76.4-176.2160.300113.9R1063 Q1064 H1065R1063-M1067 WeakPolarHBondContact O-CG 3.4Å; R1063-M1067 PolarHBondContact O-N 3.4Å; Q1064-M1067 PolarHBondContact O-N 3.4Å; H1065-M1067 VanDerWaalsContact C-N 3.32Å
1068N29.7Very low42.3Very low176 Ų176105.3 Ų105.394%0.94153%0.525SS*.  trans-940164.3-72.4-18.3000109.4Q1064Q1064-N1068 PolarHBondContact O-N 3.18Å

Retrieved 1,068 of 1,068 residues in 5061.7 ms (Link to these results)

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