A0A087YK69_POEFO Loading...

Rho-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YK69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 797 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
1M51.6Low59.8Low190 Ų19079.6 Ų79.694%0.93641%0.412SS*.  0137.60-73.3-58.2-151.800108.8I9M1-I9 HydrophobicContact CE-CD1 3.9Å
2P60.8Low59.6Low65 Ų6583.2 Ų83.242%0.42244%0.444SS..  trans-63.3146.1162.728.7-33.3000109.9E4P2-E4 VanDerWaalsContact C-N 3.27Å; P2-E4 WeakPolarHBondContact CB-OE1 3.18Å; P2-E4 PolarHBondContact O-N 2.96Å
3M58.3Low59.4Low110 Ų11086.3 Ų86.354%0.54247%0.474SS..G310 helixtrans-71.4-24.5-176.6-61.7-176.8-166.700112.1N5 L6 N31 L35M3-N5 PolarHBondContact O-N 3.21Å; M3-N5 VanDerWaalsContact O-N 3.14Å; M3-L6 PolarHBondContact O-N 2.9Å; M3-N31 VanDerWaalsContact O-CG 3.28Å; M3-N31 PolarHBondContact O-OD1 3.16Å; M3-L35 HydrophobicContact CE-CD2 4.19Å; M3-L35 HydrophobicContact CG-CD2 4.17Å; M3-L35 HydrophobicContact SD-CD2 3.46Å; M3-L35 WeakPolarHBondContact SD-CD2 3.31Å
4E58Low59.5Low131 Ų13187.2 Ų87.261%0.61248%0.476SS*.G310 helixtrans-61.6-23.6-175.3-55.2110.2-91.500114.4P2 N31P2-E4 VanDerWaalsContact C-N 3.27Å; P2-E4 WeakPolarHBondContact CB-OE1 3.18Å; P2-E4 PolarHBondContact O-N 2.96Å; E4-N31 VanDerWaalsContact C-ND2 3.33Å; E4-N31 PolarHBondContact O-ND2 3.49Å
5N59.5Low60Low75 Ų7584.1 Ų84.140%0.40146%0.457SS..G310 helixtrans-104.56.1-172.2-74.5-48.1000114.6M3 T8 I9M3-N5 PolarHBondContact O-N 3.21Å; M3-N5 VanDerWaalsContact O-N 3.14Å; N5-T8 WeakPolarHBondContact O-CB 3.48Å; N5-T8 PolarHBondContact O-N 2.55Å; N5-T8 VanDerWaalsContact O-N 3.12Å; N5-I9 HydrophobicContact CB-CD1 4.46Å; N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 PolarHBondContact O-N 3.49Å; N5-I9 VanDerWaalsContact O-N 3.07Å
6L64.3Low60.3Low22 Ų2289.6 Ų89.612%0.11548%0.478CS..Hα-helixtrans-65.3-53.8-171.8-142.367.2000111.4M3 T8 I9 F10 N31 L34 L35 L38M3-L6 PolarHBondContact O-N 2.9Å; L6-T8 PolarHBondContact O-N 3.29Å; L6-I9 PolarHBondContact O-N 3.4Å; L6-F10 HydrophobicContact CG-CD2 4.49Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 2.92Å; L6-F10 PolarHBondContact O-N 3.22Å; L6-N31 WeakPolarHBondContact CB-OD1 3.21Å; L6-N31 PolarHBondContact N-OD1 2.91Å; L6-N31 VanDerWaalsContact N-OD1 3.14Å; L6-L34 HydrophobicContact CB-CD2 4.09Å; L6-L34 HydrophobicContact CD2-CB 4.37Å; L6-L34 HydrophobicContact CD2-CD2 4.11Å; L6-L34 HydrophobicContact CD2-CG 3.97Å; L6-L34 HydrophobicContact CG-CD2 3.79Å; L6-L34 HydrophobicContact CG-CG 4.21Å; L6-L35 HydrophobicContact CD2-CB 4.05Å; L6-L35 HydrophobicContact CD2-CD1 4.33Å; L6-L38 HydrophobicContact CD2-CD1 3.98Å
7A58.3Low60.9Low4 Ų486.1 Ų86.13%0.03346%0.46CS..Hα-helixtrans-70.6-11.617200000112.9G11 N31A7-G11 WeakPolarHBondContact O-CA 3.3Å; A7-G11 PolarHBondContact O-N 2.97Å; A7-N31 WeakPolarHBondContact CB-OD1 3.46Å; A7-N31 PolarHBondContact N-OD1 3.15Å
8T59.6Low61.1Low81 Ų8184.7 Ų84.750%0.49746%0.457SS..Hα-helixtrans-76.1-34171-42.30000110.8N5 L6 Q27N5-T8 WeakPolarHBondContact O-CB 3.48Å; N5-T8 PolarHBondContact O-N 2.55Å; N5-T8 VanDerWaalsContact O-N 3.12Å; L6-T8 PolarHBondContact O-N 3.29Å; T8-Q27 PolarHBondContact OG1-NE2 2.96Å
9I61.4Low61.6Low94 Ų9485.6 Ų85.648%0.48248%0.477SS..Hα-helixtrans-87-38.7-178.7-65.6166.5000111.4M1 N5 L6M1-I9 HydrophobicContact CE-CD1 3.9Å; N5-I9 HydrophobicContact CB-CD1 4.46Å; N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 PolarHBondContact O-N 3.49Å; N5-I9 VanDerWaalsContact O-N 3.07Å; L6-I9 PolarHBondContact O-N 3.4Å
10F63.7Low62.3Low98 Ų9883.1 Ų83.143%0.4347%0.471SS..Hα-helixtrans-103.4-9-177.5-62.6-73.7000114.6L6 C13 I14 L34L6-F10 HydrophobicContact CG-CD2 4.49Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 2.92Å; L6-F10 PolarHBondContact O-N 3.22Å; F10-C13 PolarHBondContact O-N 3.39Å; F10-I14 HydrophobicContact CB-CD1 4.4Å; F10-L34 HydrophobicContact CB-CD2 3.8Å; F10-L34 HydrophobicContact CD2-CD2 3.83Å; F10-L34 HydrophobicContact CG-CD2 4.17Å
11G62.6Low62.5Low6 Ų686 Ų866%0.06249%0.494CS..Hα-helixtrans-52.4-49.8-172.600000116.1A7 C13 I14 F15A7-G11 WeakPolarHBondContact O-CA 3.3Å; A7-G11 PolarHBondContact O-N 2.97Å; G11-C13 PolarHBondContact O-N 3.46Å; G11-I14 PolarHBondContact O-N 3.02Å; G11-F15 CarbonylContact C-O 3.46Å; G11-F15 CarbonylContact O-C 3.54Å; G11-F15 PolarHBondContact O-N 2.73Å; G11-F15 VanDerWaalsContact O-O 3.09Å
12P57.3Low63.5Low122 Ų12283.9 Ų83.979%0.79248%0.475SS*.Hα-helixtrans-56.6-18.9-174.1-28.135.9000115.8
13C56.8Low64.4Low124 Ų12484.5 Ų84.584%0.83847%0.474SS*.Hα-helixtrans-111.3-10.7-178-57.40000114.2F10 G11F10-C13 PolarHBondContact O-N 3.39Å; G11-C13 PolarHBondContact O-N 3.46Å
14I61.2Low65.2Low99 Ų9986.1 Ų86.151%0.50848%0.484SS..Hα-helixtrans-138.3-41-170.4-46.3-178.4000113F10 G11F10-I14 HydrophobicContact CB-CD1 4.4Å; G11-I14 PolarHBondContact O-N 3.02Å
15F66.1Low66.2Low41 Ų4184.6 Ų84.618%0.1848%0.477CS..  trans-133.698.9-174.4-68.2-76000111.1G11 V17 L33 L34 L37G11-F15 CarbonylContact C-O 3.46Å; G11-F15 CarbonylContact O-C 3.54Å; G11-F15 PolarHBondContact O-N 2.73Å; G11-F15 VanDerWaalsContact O-O 3.09Å; F15-V17 PolarHBondContact O-N 3.16Å; F15-L33 HydrophobicContact CE1-CB 4.12Å; F15-L33 HydrophobicContact CE1-CD1 4.21Å; F15-L33 HydrophobicContact CZ-CB 3.97Å; F15-L34 HydrophobicContact CD2-CB 4.28Å; F15-L34 HydrophobicContact CE2-CB 3.72Å; F15-L34 HydrophobicContact CE2-CD1 4.16Å; F15-L34 HydrophobicContact CE2-CG 4.39Å; F15-L37 HydrophobicContact CE2-CD1 4.47Å; F15-L37 HydrophobicContact CZ-CD1 4.04Å
16H65.8Low67.1Low172 Ų17284.5 Ų84.580%0.79647%0.474SS*.  trans-8194.8174.8179.2-69.5000110.7P18H16-P18 WeakPolarHBondContact O-CD 3.41Å
17V70.6Confident67.9Low30 Ų3085.1 Ų85.118%0.18248%0.476CS..  trans-82.7118.6171.3-177.30000109.7F15 I23 E26 S30F15-V17 PolarHBondContact O-N 3.16Å; V17-I23 HydrophobicContact CG1-CG1 3.95Å; V17-E26 HydrophobicContact CG1-CB 3.74Å; V17-S30 WeakPolarHBondContact CG2-OG 3.46Å
18P64.1Low68.8Low60 Ų6087.7 Ų87.739%0.3949%0.494SS..  trans-70.5150.7-179.630.4-36000112.6H16 G20 E26H16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-G20 PolarHBondContact O-N 3.36Å; P18-E26 WeakPolarHBondContact CD-OE2 3.45Å; P18-E26 WeakPolarHBondContact CG-OE2 3.34Å
19A69.6Low69.9Low103 Ų10387.8 Ų87.885%0.85150%0.495SS*.SBendtrans-76.1110.1174.800000110.8
20G76.1Confident70.8Confident34 Ų3484 Ų8435%0.35148%0.476SS..SBendtrans-167.5178.4179.700000112.8P18 R22 I23P18-G20 PolarHBondContact O-N 3.36Å; G20-R22 PolarHBondContact O-N 3.44Å; G20-R22 VanDerWaalsContact O-N 3.16Å; G20-I23 VanDerWaalsContact O-CB 3.28Å; G20-I23 WeakPolarHBondContact O-CB 3.47Å; G20-I23 VanDerWaalsContact O-CG2 3.3Å; G20-I23 WeakPolarHBondContact O-CG2 3.3Å; G20-I23 PolarHBondContact O-N 3.11Å; G20-I23 VanDerWaalsContact O-N 3.07Å
21P66.8Low71.5Confident146 Ų14680 Ų8095%0.94846%0.46SS*.THydrogen-bonded Turntrans-65.2-18.2-175.726.1-34.8000114.3
22R72.3Confident72.4Confident144 Ų14484.1 Ų84.154%0.54348%0.484SS..THydrogen-bonded Turntrans-95.67.6175.3-67.7-169.1179.9-85.42.3114.3G20 L24 E25 E26G20-R22 PolarHBondContact O-N 3.44Å; G20-R22 VanDerWaalsContact O-N 3.16Å; R22-L24 PolarHBondContact O-N 3.44Å; R22-E25 WeakPolarHBondContact CB-OE2 3.48Å; R22-E25 WeakPolarHBondContact CD-OE2 3.34Å; R22-E25 WeakPolarHBondContact CG-OE2 3.42Å; R22-E25 IonicContact CZ-OE2 2.7Å; R22-E25 IonicContact NE-OE2 3.46Å; R22-E25 VanDerWaalsContact NH1-CD 3.35Å; R22-E25 IonicContact NH1-OE1 3.59Å; R22-E25 PolarHBondContact NH1-OE1 3.18Å; R22-E25 IonicContact NH1-OE2 3.5Å; R22-E25 PolarHBondContact NH1-OE2 3.01Å; R22-E25 WeakPolarHBondContact O-CA 3.41Å; R22-E25 WeakPolarHBondContact O-CB 3.44Å; R22-E25 PolarHBondContact O-N 3.49Å; R22-E26 HydrophobicContact CB-CG 4.36Å; R22-E26 WeakPolarHBondContact CB-OE1 3.41Å; R22-E26 PolarHBondContact O-N 3.12Å
23I80.6Confident73.6Confident78 Ų7882.5 Ų82.540%0.447%0.468SS..Hα-helixtrans-50-37.7-175.2-170.1174.3000113.7V17 G20 Q27V17-I23 HydrophobicContact CG1-CG1 3.95Å; G20-I23 VanDerWaalsContact O-CB 3.28Å; G20-I23 WeakPolarHBondContact O-CB 3.47Å; G20-I23 VanDerWaalsContact O-CG2 3.3Å; G20-I23 WeakPolarHBondContact O-CG2 3.3Å; G20-I23 PolarHBondContact O-N 3.11Å; G20-I23 VanDerWaalsContact O-N 3.07Å; I23-Q27 WeakPolarHBondContact O-CB 3.48Å; I23-Q27 PolarHBondContact O-N 3.48Å
24L75.3Confident74.8Confident145 Ų14577 Ų7776%0.75943%0.43SS*.Hα-helixtrans-70.5-36.8177.8-68173.3000113R22 S28R22-L24 PolarHBondContact O-N 3.44Å; L24-S28 WeakPolarHBondContact O-CB 3.38Å; L24-S28 PolarHBondContact O-N 2.7Å
25E79.1Confident75.7Confident99 Ų9974 Ų7446%0.46342%0.415SS..Hα-helixtrans-67.7-49.7175.9-58.117615700109.7R22 Q27 S28 V29R22-E25 WeakPolarHBondContact CB-OE2 3.48Å; R22-E25 WeakPolarHBondContact CD-OE2 3.34Å; R22-E25 WeakPolarHBondContact CG-OE2 3.42Å; R22-E25 IonicContact CZ-OE2 2.7Å; R22-E25 IonicContact NE-OE2 3.46Å; R22-E25 VanDerWaalsContact NH1-CD 3.35Å; R22-E25 IonicContact NH1-OE1 3.59Å; R22-E25 PolarHBondContact NH1-OE1 3.18Å; R22-E25 IonicContact NH1-OE2 3.5Å; R22-E25 PolarHBondContact NH1-OE2 3.01Å; R22-E25 WeakPolarHBondContact O-CA 3.41Å; R22-E25 WeakPolarHBondContact O-CB 3.44Å; R22-E25 PolarHBondContact O-N 3.49Å; E25-Q27 VanDerWaalsContact C-N 3.34Å; E25-Q27 PolarHBondContact O-N 3.03Å; E25-S28 WeakPolarHBondContact O-CB 3.22Å; E25-S28 PolarHBondContact O-N 2.87Å; E25-S28 PolarHBondContact O-OG 3.2Å; E25-V29 PolarHBondContact O-N 3.38Å
26E77.8Confident76.5Confident72 Ų7277.2 Ų77.234%0.33643%0.43SS..Hα-helixtrans-66.2-34.9-179.2-65.2173.1-14700112.1V17 P18 R22 S30V17-E26 HydrophobicContact CG1-CB 3.74Å; P18-E26 WeakPolarHBondContact CD-OE2 3.45Å; P18-E26 WeakPolarHBondContact CG-OE2 3.34Å; R22-E26 HydrophobicContact CB-CG 4.36Å; R22-E26 WeakPolarHBondContact CB-OE1 3.41Å; R22-E26 PolarHBondContact O-N 3.12Å; E26-S30 WeakPolarHBondContact O-CB 3.44Å; E26-S30 PolarHBondContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 3.07Å
27Q80.9Confident77.2Confident35 Ų3572.7 Ų72.716%0.16441%0.411CS..Hα-helixtrans-64.2-40.9168.9-171.172.8-5.900111.6T8 I23 E25 S30 N31T8-Q27 PolarHBondContact OG1-NE2 2.96Å; I23-Q27 WeakPolarHBondContact O-CB 3.48Å; I23-Q27 PolarHBondContact O-N 3.48Å; E25-Q27 VanDerWaalsContact C-N 3.34Å; E25-Q27 PolarHBondContact O-N 3.03Å; Q27-S30 PolarHBondContact O-N 2.77Å; Q27-N31 WeakPolarHBondContact O-CB 3.34Å; Q27-N31 VanDerWaalsContact O-CG 3.27Å; Q27-N31 PolarHBondContact O-N 2.94Å; Q27-N31 PolarHBondContact O-ND2 3.42Å
28S78.3Confident77.7Confident59 Ų5975.4 Ų75.441%0.41343%0.425SS..Hα-helixtrans-66.2-37.5178.279.80000112.9L24 E25 T32L24-S28 WeakPolarHBondContact O-CB 3.38Å; L24-S28 PolarHBondContact O-N 2.7Å; E25-S28 WeakPolarHBondContact O-CB 3.22Å; E25-S28 PolarHBondContact O-N 2.87Å; E25-S28 PolarHBondContact O-OG 3.2Å; S28-T32 WeakPolarHBondContact O-CB 3.19Å; S28-T32 PolarHBondContact O-N 3.12Å; S28-T32 PolarHBondContact O-OG1 2.85Å
29V81.3Confident78.6Confident83 Ų8380 Ų8050%0.50343%0.434SS..Hα-helixtrans-65.4-45.9172.5175.40000110.4E25 N31 T32 L33E25-V29 PolarHBondContact O-N 3.38Å; V29-N31 PolarHBondContact O-N 2.9Å; V29-T32 WeakPolarHBondContact O-CB 3.44Å; V29-T32 PolarHBondContact O-N 3.33Å; V29-T32 VanDerWaalsContact O-N 3.1Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 2.94Å
30S79.8Confident79.1Confident14 Ų1478.5 Ų78.510%0.09841%0.409CS..Hα-helixtrans-62.6-41.8178.4-580000112.7V17 E26 Q27 T32 L33 L34V17-S30 WeakPolarHBondContact CG2-OG 3.46Å; E26-S30 WeakPolarHBondContact O-CB 3.44Å; E26-S30 PolarHBondContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 3.07Å; Q27-S30 PolarHBondContact O-N 2.77Å; S30-T32 VanDerWaalsContact C-N 3.32Å; S30-T32 PolarHBondContact O-N 3Å; S30-L33 PolarHBondContact O-N 3.44Å; S30-L34 WeakPolarHBondContact O-CB 3.21Å; S30-L34 PolarHBondContact O-N 3.29Å
31N80.3Confident79.2Confident14 Ų1482 Ų828%0.07542%0.416CS..Hα-helixtrans-56.9-44.6170.7-79.1-34.2000111.6M3 E4 L6 A7 Q27 V29 L35M3-N31 VanDerWaalsContact O-CG 3.28Å; M3-N31 PolarHBondContact O-OD1 3.16Å; E4-N31 VanDerWaalsContact C-ND2 3.33Å; E4-N31 PolarHBondContact O-ND2 3.49Å; L6-N31 WeakPolarHBondContact CB-OD1 3.21Å; L6-N31 PolarHBondContact N-OD1 2.91Å; L6-N31 VanDerWaalsContact N-OD1 3.14Å; A7-N31 WeakPolarHBondContact CB-OD1 3.46Å; A7-N31 PolarHBondContact N-OD1 3.15Å; Q27-N31 WeakPolarHBondContact O-CB 3.34Å; Q27-N31 VanDerWaalsContact O-CG 3.27Å; Q27-N31 PolarHBondContact O-N 2.94Å; Q27-N31 PolarHBondContact O-ND2 3.42Å; V29-N31 PolarHBondContact O-N 2.9Å; N31-L35 VanDerWaalsContact O-CB 3.23Å; N31-L35 WeakPolarHBondContact O-CB 3.39Å; N31-L35 PolarHBondContact O-N 3.35Å
32T81.4Confident79.5Confident93 Ų9378.2 Ų78.257%0.57140%0.397SS*.Hα-helixtrans-67.8-43.1-178-57.30000111.7S28 V29 S30 L35 H36S28-T32 WeakPolarHBondContact O-CB 3.19Å; S28-T32 PolarHBondContact O-N 3.12Å; S28-T32 PolarHBondContact O-OG1 2.85Å; V29-T32 WeakPolarHBondContact O-CB 3.44Å; V29-T32 PolarHBondContact O-N 3.33Å; V29-T32 VanDerWaalsContact O-N 3.1Å; S30-T32 VanDerWaalsContact C-N 3.32Å; S30-T32 PolarHBondContact O-N 3Å; T32-L35 PolarHBondContact O-N 3.39Å; T32-H36 PolarHBondContact O-N 3.32Å
33L81.1Confident79.7Confident88 Ų8877 Ų7746%0.46140%0.402SS..Hα-helixtrans-63.6-47.8175.6-70.6171.4000111.7F15 V29 S30 L35 H36 L37F15-L33 HydrophobicContact CE1-CB 4.12Å; F15-L33 HydrophobicContact CE1-CD1 4.21Å; F15-L33 HydrophobicContact CZ-CB 3.97Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 2.94Å; S30-L33 PolarHBondContact O-N 3.44Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 2.98Å; L33-H36 WeakPolarHBondContact O-CB 3.31Å; L33-H36 PolarHBondContact O-N 3.17Å; L33-H36 VanDerWaalsContact O-N 3.14Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 3.3Å
34L82.1Confident79Confident9 Ų978 Ų785%0.04741%0.407CS..Hα-helixtrans-60.3-40.7176.8-179.356.4000112L6 F10 F15 S30 H36 L37 L38L6-L34 HydrophobicContact CB-CD2 4.09Å; L6-L34 HydrophobicContact CD2-CB 4.37Å; L6-L34 HydrophobicContact CD2-CD2 4.11Å; L6-L34 HydrophobicContact CD2-CG 3.97Å; L6-L34 HydrophobicContact CG-CD2 3.79Å; L6-L34 HydrophobicContact CG-CG 4.21Å; F10-L34 HydrophobicContact CB-CD2 3.8Å; F10-L34 HydrophobicContact CD2-CD2 3.83Å; F10-L34 HydrophobicContact CG-CD2 4.17Å; F15-L34 HydrophobicContact CD2-CB 4.28Å; F15-L34 HydrophobicContact CE2-CB 3.72Å; F15-L34 HydrophobicContact CE2-CD1 4.16Å; F15-L34 HydrophobicContact CE2-CG 4.39Å; S30-L34 WeakPolarHBondContact O-CB 3.21Å; S30-L34 PolarHBondContact O-N 3.29Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 3.33Å; L34-L37 PolarHBondContact O-N 3.17Å; L34-L38 HydrophobicContact CD1-CD1 4.1Å; L34-L38 HydrophobicContact CD1-CG 4.26Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å
35L80.7Confident78.6Confident34 Ų3477.1 Ų77.118%0.17840%0.402CS..Hα-helixtrans-67.2-32.1176.6-17763.7000112.7M3 L6 N31 T32 L33 R39M3-L35 HydrophobicContact CE-CD2 4.19Å; M3-L35 HydrophobicContact CG-CD2 4.17Å; M3-L35 HydrophobicContact SD-CD2 3.46Å; M3-L35 WeakPolarHBondContact SD-CD2 3.31Å; L6-L35 HydrophobicContact CD2-CB 4.05Å; L6-L35 HydrophobicContact CD2-CD1 4.33Å; N31-L35 VanDerWaalsContact O-CB 3.23Å; N31-L35 WeakPolarHBondContact O-CB 3.39Å; N31-L35 PolarHBondContact O-N 3.35Å; T32-L35 PolarHBondContact O-N 3.39Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 2.98Å; L35-R39 VanDerWaalsContact O-CG 3.3Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.93Å
36H82.4Confident77.5Confident109 Ų10977.5 Ų77.551%0.50541%0.414SS..Hα-helixtrans-70.2-47.7173-173.466.5000111.1T32 L33 L34 L38 R39 H40T32-H36 PolarHBondContact O-N 3.32Å; L33-H36 WeakPolarHBondContact O-CB 3.31Å; L33-H36 PolarHBondContact O-N 3.17Å; L33-H36 VanDerWaalsContact O-N 3.14Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 3.33Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.35Å; H36-R39 PolarHBondContact O-N 3.23Å; H36-H40 AromaticContact CE1-CD2 3.3Å; H36-H40 PolarHBondContact CE1-CD2 3.07Å; H36-H40 AromaticContact CE1-NE2 3.5Å; H36-H40 PolarHBondContact CE1-NE2 2.89Å; H36-H40 AromaticContact ND1-CD2 3.44Å; H36-H40 PolarHBondContact ND1-CD2 3.09Å; H36-H40 AromaticContact ND1-NE2 3.71Å; H36-H40 AromaticContact NE2-CD2 3.87Å; H36-H40 PolarHBondContact O-CD2 2.88Å; H36-H40 PolarHBondContact O-N 2.96Å
37L80.9Confident76.3Confident77 Ų7779.9 Ų79.940%0.40343%0.433SS..Hα-helixtrans-56.6-43.1174.5-68.3172000112.1F15 L33 L34 R39 H40 H41 L44F15-L37 HydrophobicContact CE2-CD1 4.47Å; F15-L37 HydrophobicContact CZ-CD1 4.04Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 3.3Å; L34-L37 PolarHBondContact O-N 3.17Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 2.89Å; L37-H40 CarbonylContact O-C 3.59Å; L37-H40 PolarHBondContact O-N 3.37Å; L37-H41 WeakPolarHBondContact O-CA 3.39Å; L37-H41 PolarHBondContact O-N 3.26Å; L37-L44 HydrophobicContact CD2-CD1 3.67Å
38L80.7Confident74.9Confident88 Ų8887.9 Ų87.946%0.46147%0.467SS..Hα-helixtrans-68.2-27.1177.4-73.1167.9000113.4L6 L34 H36 H41L6-L38 HydrophobicContact CD2-CD1 3.98Å; L34-L38 HydrophobicContact CD1-CD1 4.1Å; L34-L38 HydrophobicContact CD1-CG 4.26Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.35Å; L38-H41 PolarHBondContact O-ND1 3.08Å
39R82.6Confident73.4Confident157 Ų15792.6 Ų92.659%0.59248%0.483SS*.Hα-helixtrans-76.9-32.7174.1-78171.3176150.1-0.1112.9L35 H36 L37L35-R39 VanDerWaalsContact O-CG 3.3Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.93Å; H36-R39 PolarHBondContact O-N 3.23Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 2.89Å
40H80.3Confident71.7Confident71 Ų7192.4 Ų92.433%0.32949%0.49SS..SBendtrans-105.616.7-177.9-65.5-69.4000113.7H36 L37 A42 D43 L44H36-H40 AromaticContact CE1-CD2 3.3Å; H36-H40 PolarHBondContact CE1-CD2 3.07Å; H36-H40 AromaticContact CE1-NE2 3.5Å; H36-H40 PolarHBondContact CE1-NE2 2.89Å; H36-H40 AromaticContact ND1-CD2 3.44Å; H36-H40 PolarHBondContact ND1-CD2 3.09Å; H36-H40 AromaticContact ND1-NE2 3.71Å; H36-H40 AromaticContact NE2-CD2 3.87Å; H36-H40 PolarHBondContact O-CD2 2.88Å; H36-H40 PolarHBondContact O-N 2.96Å; L37-H40 CarbonylContact O-C 3.59Å; L37-H40 PolarHBondContact O-N 3.37Å; H40-A42 PolarHBondContact O-N 3.46Å; H40-D43 IonicContact CG-OD2 3.45Å; H40-D43 IonicContact ND1-OD2 3.82Å; H40-D43 PolarHBondContact ND1-OD2 3.1Å; H40-D43 WeakPolarHBondContact O-CB 3.36Å; H40-D43 PolarHBondContact O-N 3.22Å; H40-L44 HydrophobicContact CB-CD1 4.13Å; H40-L44 HydrophobicContact CB-CG 4.42Å; H40-L44 WeakPolarHBondContact O-CB 3.48Å; H40-L44 VanDerWaalsContact O-CG 3.31Å; H40-L44 WeakPolarHBondContact O-CG 3.24Å; H40-L44 PolarHBondContact O-N 3.23Å
41H78.1Confident69.9Low107 Ų107100.1 Ų100.150%0.49553%0.528SS..Hα-helixtrans-61.3-30.5-174.873.6-88.5000113L37 L38 L45L37-H41 WeakPolarHBondContact O-CA 3.39Å; L37-H41 PolarHBondContact O-N 3.26Å; L38-H41 PolarHBondContact O-ND1 3.08Å; H41-L45 WeakPolarHBondContact O-CA 3.18Å; H41-L45 WeakPolarHBondContact O-CB 3.45Å; H41-L45 PolarHBondContact O-N 3.41Å
42A74.3Confident68.4Low66 Ų66105.5 Ų105.555%0.54556%0.556SS.*Hα-helixtrans-70.3-33.2175.500000112.8H40H40-A42 PolarHBondContact O-N 3.46Å
43D75.3Confident66.2Low120 Ų120109 Ų10964%0.64257%0.568SS**Hα-helixtrans-75.4-34.2176.3-48.6-49000111.1H40H40-D43 IonicContact CG-OD2 3.45Å; H40-D43 IonicContact ND1-OD2 3.82Å; H40-D43 PolarHBondContact ND1-OD2 3.1Å; H40-D43 WeakPolarHBondContact O-CB 3.36Å; H40-D43 PolarHBondContact O-N 3.22Å
44L67.1Low63.8Low98 Ų98111.4 Ų111.451%0.51359%0.587SS.*Hα-helixtrans-88.1-26.7-176.1-65.8168.7000113.8L37 H40L37-L44 HydrophobicContact CD2-CD1 3.67Å; H40-L44 HydrophobicContact CB-CD1 4.13Å; H40-L44 HydrophobicContact CB-CG 4.42Å; H40-L44 WeakPolarHBondContact O-CB 3.48Å; H40-L44 VanDerWaalsContact O-CG 3.31Å; H40-L44 WeakPolarHBondContact O-CG 3.24Å; H40-L44 PolarHBondContact O-N 3.23Å
45L66Low62.1Low126 Ų126116.5 Ų116.566%0.6662%0.62SS**SBendtrans-12874.1179.2-61.4173.3000109.4H41 V47H41-L45 WeakPolarHBondContact O-CA 3.18Å; H41-L45 WeakPolarHBondContact O-CB 3.45Å; H41-L45 PolarHBondContact O-N 3.41Å; L45-V47 PolarHBondContact O-N 3.26Å
46P56.9Low60Low108 Ų108120.8 Ų120.870%0.70165%0.653SS**  trans-62.9101.9177.925.4-34.3000110.4K48P46-K48 PolarHBondContact O-N 2.88Å; P46-K48 VanDerWaalsContact O-N 3.15Å
47V53Low57.6Low122 Ų122120.7 Ų120.774%0.73967%0.671SS**  trans-65.2114.3177.3-179.60000108.4L45 E49L45-V47 PolarHBondContact O-N 3.26Å; V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.2Å
48K50.6Low55.5Low202 Ų202123.7 Ų123.788%0.87869%0.693SS**  trans-77.576.9174.7-165.8175.1-174.4177.60109.6P46 A50P46-K48 PolarHBondContact O-N 2.88Å; P46-K48 VanDerWaalsContact O-N 3.15Å; K48-A50 PolarHBondContact O-N 3.46Å
49E46.3Very low53.2Low158 Ų158124.2 Ų124.274%0.73870%0.704SS**  trans-61.199.7176.1-71.1-163.9137.600110.9V47V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.2Å
50A45.7Very low50.8Low79 Ų79121.8 Ų121.865%0.65371%0.711SS**  trans-121.7140159.900000107.5K48K48-A50 PolarHBondContact O-N 3.46Å
51I42.6Very low48.7Very low177 Ų177123.8 Ų123.891%0.90873%0.733SS**  trans72.977.3-175.5-43170.5000113.4
52L47.7Very low46.9Very low127 Ų127124.3 Ų124.367%0.66575%0.746SS**  trans-136.192.1158.4-154.6-174.9000109
53M37.2Very low45.5Very low166 Ų166126.7 Ų126.782%0.81876%0.756SS**  trans-162.395.1168.5-97.5-53.1106.200112.2
54T29.9Very low43.8Very low138 Ų138126.6 Ų126.685%0.84776%0.762SS**  trans-176.8131.1136.128.70000108.8
55P45.4Very low42.5Very low116 Ų116128 Ų12875%0.75378%0.777SS**  trans-98.6150-173.536.5-34.6000115.4
56S36.6Very low40.9Very low124 Ų124126.9 Ų126.987%0.86779%0.786SS**  trans56.6106.7147-57.70000120.9
57A33.2Very low39.8Very low107 Ų107129.7 Ų129.788%0.88479%0.794SS**  trans-148.8157.8146.500000111.8
58T36.1Very low38.7Very low140 Ų140129.5 Ų129.586%0.85980%0.798SS**  trans-84.9163.8-166.644.30000116.2
59S31.9Very low37.7Very low100 Ų100124.5 Ų124.570%0.69979%0.794SS**  trans100.6133.2140.4-160.70000121.3
60S33.2Very low36.9Very low106 Ų106124.7 Ų124.774%0.74180%0.8SS**  trans55.6121.3145.853.60000121.1
61S36.2Very low36.1Very low113 Ų113125.3 Ų125.379%0.7980%0.799SS**PPolyproline II helixtrans-81.3147.6163.4580000112.7
62P40.2Very low35.6Very low117 Ų117126.3 Ų126.376%0.7680%0.799SS**PPolyproline II helixtrans-85.3147.4165.733.9-32.7000111.8
63P45.3Very low34.8Very low116 Ų116129.3 Ų129.375%0.75381%0.807SS**PPolyproline II helixtrans-81.6162.5174.334.2-35.5000112.8
64P39.3Very low34.3Very low118 Ų118130.4 Ų130.477%0.76681%0.811SS**PPolyproline II helixtrans-73.6151.5177.331.2-35.9000112.9
65P39.8Very low34.2Very low129 Ų129128.7 Ų128.784%0.83880%0.8SS**PPolyproline II helixtrans-74.8147.4179.231-35.3000112.9
66A31.6Very low33.3Very low102 Ų102131.2 Ų131.284%0.84380%0.802SS**PPolyproline II helixtrans-96.4163.6176.800000112.7
67L33.9Very low33.4Very low167 Ų167130 Ų13087%0.87479%0.791SS**PPolyproline II helixtrans-90143.9-176.6-63171.4000113.1
68S31Very low33Very low118 Ų118133.4 Ų133.483%0.82579%0.788SS**  trans112.6101.5150.1-460000118.5
69A28.5Very low32.5Very low97 Ų97131.9 Ų131.980%0.80278%0.783SS**  trans-161.393.9145.500000107.1
70L28.8Very low32.2Very low162 Ų162131.9 Ų131.985%0.84878%0.783SS**  70.5106.786.1-80179000116.1
71S29.1Very low31.9Very low92 Ų92135.6 Ų135.664%0.64379%0.789SS**  trans51.4124.4143.861.80000121.5
72H32.1Very low31.3Very low197 Ų197135.3 Ų135.391%0.91279%0.786SS**  -143.3164120.2-95.2-75.5000110.1
73F31.7Very low30.6Very low190 Ų190136 Ų13683%0.83378%0.783SS**  trans-94.7150.7-176.1-94.7-113000112.2V75F73-V75 HydrophobicContact CD1-CG2 4.49Å
74E25.9Very low29.8Very low189 Ų189136.8 Ų136.888%0.88378%0.781SS**  trans-159159.4138.3-155.578.9-101.300108.1
75V27.7Very low29.2Very low103 Ų103136.5 Ų136.562%0.62478%0.782SS**  trans-146.8144.6-169.1166.70000112.3F73F73-V75 HydrophobicContact CD1-CG2 4.49Å
76Q27.8Very low28.5Very low169 Ų169136.4 Ų136.479%0.7978%0.782SS**  trans69.1166.6168.4-84.8-175.8-54.500117.9
77P38.6Very low28.2Very low99 Ų99137.1 Ų137.164%0.64378%0.781SS**  cis-140.2170.2-34.536.9-19.5000116.6
78H24.4Very low27.9Very low177 Ų177136.3 Ų136.382%0.81978%0.775SS**  trans20.9120.2150.8-51.7-59.5000124.2
79S26Very low27.6Very low109 Ų109139 Ų13976%0.76277%0.774SS**  trans-176.6128.4130.436.10000107.4
80S26.1Very low27.8Very low99 Ų99142.9 Ų142.969%0.69277%0.768SS**  cis87.9138.144.572.30000114
81E25.6Very low27.9Very low184 Ų184142.8 Ų142.886%0.8677%0.768SS**  trans73.4159.6172.3-57.5177.115800117.3
82C24Very low27.9Very low108 Ų108145 Ų14573%0.7377%0.768SS**  -171.5173.8-53.6-107.40000110
83D25.2Very low27.9Very low130 Ų130144.2 Ų144.270%0.69577%0.765SS**  trans69.4107.3150.9-67.6-19000124.1
84N28.4Very low28.1Very low134 Ų134142.3 Ų142.372%0.71776%0.758SS**  77.9148.9114.3-62.3-35.6000124.7
85S27.6Very low28.3Very low112 Ų112140 Ų14078%0.78375%0.751SS**  trans61.1125.416339.50000118
86C24.3Very low28.4Very low126 Ų126138.6 Ų138.685%0.85175%0.75SS**  cis77104.824.5-161.90000116.2
87S25.5Very low28.6Very low117 Ų117135.7 Ų135.782%0.81875%0.748SS**  169.3175124.1-158.80000113
88M26.7Very low28.3Very low150 Ų150138.6 Ų138.674%0.73976%0.756SS**  trans-64.4164.2-179.6-58.6-175.8178.200113.7
89E26.1Very low28.6Very low175 Ų175136 Ų13682%0.81876%0.758SS**  -163.5158.361.5-74.2174.8137.200109.4
90R32.7Very low28.7Very low179 Ų179134.5 Ų134.568%0.67576%0.76SS**  cis104.8104.619.1-159.1-139-59.5-154.54.6114.8
91L30.6Very low29Very low159 Ų159132.7 Ų132.783%0.83276%0.757SS**  trans-176.4136.7163.9-99.8151.1000105.6
92E27.9Very low29.1Very low140 Ų140134.4 Ų134.465%0.65476%0.762SS**  cis65.313927.6-59166.7178.700112.3
93E33.4Very low29.4Very low180 Ų180133 Ų13384%0.84176%0.759SS**  cis-163.8160.6-13.5-110.8-170.616600105.5
94E35Very low29.9Very low149 Ų149131.8 Ų131.870%0.69676%0.76SS**  cis-160.8-165.2-11.3-154.3-74.897.400104.5
95I30.3Very low30.2Very low142 Ų142133.3 Ų133.373%0.72876%0.763SS**  146.7107.4124.5-72.2174.5000113.6
96A29.2Very low30.4Very low73 Ų73135.7 Ų135.760%0.60377%0.766SS**  trans54.7158.3141.500000122
97S33.7Very low30.6Very low108 Ų108135.2 Ų135.276%0.75576%0.76SS**  cis-167.4176.8-22-84.70000106.2
98I31.8Very low31Very low159 Ų159137.9 Ų137.982%0.81576%0.764SS**  -174.8135.557.9-75179.8000110.3
99S30.7Very low31.3Very low123 Ų123137.6 Ų137.686%0.8676%0.76SS**  trans51.7135.5146.6-156.10000125.9
100G27.9Very low31.4Very low77 Ų77137.5 Ų137.579%0.79476%0.762SS**  trans114.3131.3140.900000117.6
101G31.6Very low31.4Very low62 Ų62136.5 Ų136.564%0.63977%0.765SS**  cis159.3128.5-1300000114.5
102F27.7Very low31.7Very low219 Ų219136.5 Ų136.596%0.96177%0.765SS**  trans64.6170.7170.3-55.3-82.8000118
103A30.2Very low32.1Very low79 Ų79135.7 Ų135.765%0.65377%0.772SS**  cis-173.2163.1-47.600000109.8
104S36.8Very low31.9Very low105 Ų105134.4 Ų134.473%0.73477%0.77SS**  trans64.1126.2164.9-69.10000117.6
105E34.1Very low31.5Very low166 Ų166134.2 Ų134.278%0.77677%0.774SS**  84.6116.159.1-177.3-176.1-147.500113.6
106L31.7Very low31.4Very low162 Ų162132.5 Ų132.585%0.84878%0.775SS**  -176146.5128.3-103.4172000114.8
107T28.6Very low31.2Very low116 Ų116134 Ų13471%0.71278%0.78SS**  trans-70.9155174.3-39.30000113
108L34.2Very low31Very low172 Ų172134.2 Ų134.290%0.90177%0.772SS**  trans-160.3167.6136.5-113174.1000113.8
109Q32.8Very low30.9Very low144 Ų144134.4 Ų134.467%0.67377%0.767SS**  trans-147.1135.8-160.7168.2-170.4-2.400110.7
110M29.1Very low30.6Very low173 Ų173135.6 Ų135.685%0.85276%0.763SS**  trans-170.7124.3158.4-100.8161.674.100106.8
111Q31.3Very low30.7Very low158 Ų158139.1 Ų139.174%0.73876%0.763SS**  74.1127.758-68.7-174.4-21.600114.7
112L37.2Very low31.3Very low159 Ų159141.6 Ų141.683%0.83277%0.768SS**  trans-77.4165.4-175.6-69.379.5000112.7
113P36.6Very low31.1Very low124 Ų124135.8 Ų135.881%0.80576%0.76SS**  -126.8179.2125.537.1-30.4000114.7
114L30Very low31Very low152 Ų152137.7 Ų137.780%0.79677%0.767SS**  trans-104.6-179.9-165.5-70.9156.5000114.3
115N25.4Very low30.6Very low146 Ų146142.1 Ų142.178%0.78177%0.773SS**  trans99.1124.4167.6-55.2-42.9000114.7
116S28.5Very low30.6Very low106 Ų106141.2 Ų141.274%0.74177%0.774SS**  80.5145.753.393.30000113.1
117C25.8Very low30.4Very low105 Ų105144.9 Ų144.971%0.70978%0.776SS**  cis-157.1170.81.2-151.20000112.8
118D28.7Very low30.7Very low111 Ų111144 Ų14459%0.59478%0.775SS**  trans61.6126.5148.5-81.3-39.2000126.1
119K29.2Very low30.6Very low163 Ų163143.6 Ų143.671%0.70977%0.774SS**  trans37137.2132.2-51174.7-172.990.40120.6
120L25.8Very low30.8Very low148 Ų148143.9 Ų143.978%0.77579%0.785SS**  -174.7147.571.3-86.5172.5000113.2
121L29Very low30.9Very low152 Ų152140.7 Ų140.780%0.79678%0.78SS**  trans11.7173139-68.6175.5000122.8
122P44.4Very low31.1Very low114 Ų114137.4 Ų137.474%0.7478%0.78SS**  cis-136.7169-30.835.8-19.3000114.8
123A24.4Very low30.7Very low96 Ų96135.9 Ų135.979%0.79377%0.772SS**  trans-156.9112.8155.800000114.1
124C28.3Very low30.5Very low120 Ų120137.9 Ų137.981%0.81178%0.775SS**  trans-144.2122.2167.9-73.30000111.5
125K28.8Very low30.7Very low198 Ų198138.3 Ų138.386%0.86177%0.773SS**  trans179.6110.5154-101.1154.3-175.91760107.9
126N33.7Very low31.5Very low146 Ų146136.9 Ų136.978%0.78177%0.772SS**  87.999.859-72.830.7000113.5
127R27.4Very low32.2Very low239 Ų239138.1 Ų138.190%0.90278%0.777SS**  trans174.8143.6149.8-99.9165.9-177-85.63.9108.9
128S33.3Very low32.4Very low99 Ų99139.4 Ų139.469%0.69278%0.782SS**  cis-175.2123.6-22.742.10000109.6
129D33.8Very low32.6Very low162 Ų162138.8 Ų138.887%0.86679%0.792SS**  trans-83.2149.8171.4-67.5-62.8000113.2
130V36.6Very low32.6Very low150 Ų150138.9 Ų138.991%0.90980%0.8SS**  trans-152.7142.6149.9177.10000110.9
131S30.5Very low32.9Very low106 Ų106142.1 Ų142.174%0.74180%0.802SS**  trans101.5103167.5-154.30000114.2
132A35Very low33.1Very low90 Ų90141.6 Ų141.674%0.74480%0.795SS**  69.213952.200000112.6
133D30.5Very low32.4Very low126 Ų126142.4 Ų142.467%0.67480%0.798SS**  cis-153.716913.8-163.87.7000112.6
134I31.4Very low32.6Very low166 Ų166144.9 Ų144.985%0.85180%0.797SS**  trans170.2128.5141.4-89.3158.4000109.6
135Q34Very low32.6Very low161 Ų161148 Ų14875%0.75280%0.8SS**  trans-104.8159.6-174.5-65.4-174.4-0.400114.3
136P42.3Very low32.6Very low117 Ų117147.2 Ų147.276%0.7680%0.799SS**PPolyproline II helixtrans-87.7150.7167.535.9-34.2000112.9
137P43.7Very low32.4Very low131 Ų131143.4 Ų143.485%0.85180%0.795SS**PPolyproline II helixtrans-92.4162.5172.235.8-33.5000113.8
138T30.4Very low32.7Very low133 Ų133142.9 Ų142.982%0.81679%0.793SS**PPolyproline II helixtrans-95.2169.8-170.851.10000114.9
139A32.3Very low32.7Very low97 Ų97144.7 Ų144.780%0.80279%0.793SS**PPolyproline II helixtrans-68.6158.6169.300000112.9
140N29.7Very low32.8Very low165 Ų165142.6 Ų142.688%0.88279%0.786SS**  trans-113.9153.1172.5-84.7-37.5000112.1
141R32.3Very low32.7Very low217 Ų217139 Ų13982%0.81977%0.773SS**  trans-141.2139.5174.4174.2171.2172.41612.6103.8
142E31.6Very low32.9Very low140 Ų140142.8 Ų142.865%0.65478%0.779SS**  cis-162.8171.539-152.6155.2-139.100109.5
143V29.8Very low32.8Very low131 Ų131142.7 Ų142.779%0.79478%0.778SS**  trans-179.7148.5138.6141.70000111.4
144L28.4Very low32.7Very low148 Ų148139.7 Ų139.778%0.77578%0.777SS**  trans-24.9145.4173.7-79.156.8000116.7
145Q29.2Very low32.6Very low185 Ų185137.3 Ų137.386%0.86478%0.775SS**  -157.4141.467.5-169.212215.400115.1
146E28.1Very low32.4Very low182 Ų182135.6 Ų135.685%0.8578%0.776SS**  trans-77.3157163.9-56.5-177.6119.900111.2
147G29.7Very low31.9Very low67 Ų67137.2 Ų137.269%0.69178%0.777SS**  cis149-165.41.500000111
148R33.6Very low31.3Very low227 Ų227135.4 Ų135.486%0.85777%0.768SS**  trans66.8154.3170.8-65.8-170.6176-168.4-0.4116.2
149I34.9Very low31.4Very low137 Ų137138.4 Ų138.470%0.70376%0.764SS**  cis-149.8166.4-619.5-168.9000107
150T34Very low31.4Very low118 Ų118140.8 Ų140.872%0.72476%0.758SS**  cis-157.3150.220.7-12.20000110.9
151A35.7Very low31.4Very low76 Ų76137 Ų13763%0.62875%0.749SS**  35.8149.412900000122.3
152E34.2Very low31.2Very low184 Ų184133.6 Ų133.686%0.8675%0.748SS**  cis-172.8-178.2-3.3-115.5172.281.200108.7
153A33.2Very low31.2Very low88 Ų88135.2 Ų135.273%0.72776%0.76SS**  cis-161.1174.9-3.400000109.8
154G28Very low31Very low64 Ų64136.2 Ų136.266%0.6676%0.76SS**  trans107.7107.616800000113.6
155S29.6Very low31.9Very low115 Ų115134.6 Ų134.680%0.80476%0.758SS**  72.2133.664.1-61.20000113.2
156T30.4Very low31.7Very low126 Ų126132.6 Ų132.677%0.77375%0.749SS**  cis-175.2160.2-3.5240000107.5
157L31.5Very low31.6Very low150 Ų150132 Ų13279%0.78574%0.739SS**  cis-177.4145.7-16.1-177.181.9000109.1
158S31.2Very low31.5Very low93 Ų93136.2 Ų136.265%0.6574%0.741SS**  trans70.5155.4156.1-92.90000119.5
159R32.5Very low32.3Very low196 Ų196130 Ų13074%0.7473%0.729SS**  cis-168.3157.5-5.8-133.6170.9154.1168.8-9.1114.3
160H31.6Very low31.9Very low148 Ų148132.5 Ų132.569%0.68574%0.738SS**  trans62.3158.8144.8-82.9-29.9000121.6
161A29.9Very low31.6Very low84 Ų84133.2 Ų133.269%0.69474%0.743SS**  cis-157.4173.9-6.900000111.9
162D29Very low31.1Very low147 Ų147134.4 Ų134.479%0.78675%0.753SS**  trans-70.3160.1179-50.9-93.9000116
163L29.8Very low30.9Very low173 Ų173134.1 Ų134.191%0.90675%0.751SS**  174.1153.7120.6-92.1167.7000113.9
164L26.6Very low31.1Very low152 Ų152135.2 Ų135.280%0.79675%0.751SS**  trans-103.2164.3162.4-132.587.7000108
165P47.1Very low31.1Very low114 Ų114140 Ų14074%0.7476%0.756SS**  -156.5173.958.543.3-21.5000119.7
166E25.9Very low30.9Very low143 Ų143140.1 Ų140.167%0.66876%0.757SS**  trans60.8141.9142.6-86.8-131.9122.100126
167R25.9Very low30.8Very low171 Ų171138.1 Ų138.165%0.64575%0.753SS**  trans80.897.3139.6-70.1-79.1162.8164.54.4123.8
168Q26.5Very low30.5Very low155 Ų155137 Ų13772%0.72476%0.758SS**  74.9163118.7-86.1-165.1-74.800120.5
169P51.3Low30.4Very low95 Ų95136.5 Ų136.562%0.61777%0.768SS**  trans-124.2179.8-147.145-34.1000114.8
170Q26.2Very low30.3Very low191 Ų191135 Ų13589%0.89377%0.769SS**  trans-156.8157.6135.9-115.2141.9107.500114.6
171T26.6Very low30.7Very low133 Ų133133 Ų13382%0.81677%0.769SS**  trans-68.5145.6174.544.90000113.6
172A25.9Very low30.7Very low101 Ų101133.6 Ų133.684%0.83577%0.768SS**  -179.2149.5123.400000113.3
173Q29.5Very low30.6Very low177 Ų177135 Ų13583%0.82777%0.77SS**  trans-88158.9154.6-121.7-175.5-200108.1
174P38.3Very low30.6Very low111 Ų111132.3 Ų132.372%0.72176%0.761SS**  -156.6160.67140.9-19.8000119.6
175Q27.1Very low30.7Very low164 Ų164131.5 Ų131.577%0.76676%0.762SS**  trans34.3133136.5-57.1177.8-9.300124.4
176S25.9Very low29.8Very low119 Ų119132 Ų13283%0.83277%0.768SS**  trans71.9153.9143.377.40000118.8
177A28.8Very low29.8Very low83 Ų83132 Ų13269%0.68678%0.778SS**  cis-157.2172.414.800000114.7
178S25.8Very low30.5Very low127 Ų127130.4 Ų130.489%0.88879%0.788SS**  trans63.412915359.60000122.3
179G27.6Very low30.6Very low83 Ų83134.6 Ų134.686%0.85680%0.797SS**  trans164.573.2169.300000115.9
180E30.2Very low29.4Very low164 Ų164140.7 Ų140.777%0.76681%0.807SS**  trans-74.4168.6168.6-95.4-89.3121.300111.8
181P41.7Very low29.6Very low106 Ų106139 Ų13969%0.68880%0.803SS**  cis-141.8162.920.141.9-22.9000120.4
182S29Very low29.7Very low96 Ų96138.6 Ų138.667%0.67180%0.795SS**  trans64.7158.1136.6-66.20000126.4
183E26.7Very low29.7Very low177 Ų177141.5 Ų141.583%0.82779%0.789SS**  trans83.571.7158.7-52.1-143.4148.500122.2
184T29.6Very low29.5Very low117 Ų117140.8 Ų140.872%0.71879%0.786SS**  43.2122.212148.40000123.7
185T29.7Very low29.3Very low134 Ų134141.7 Ų141.782%0.82279%0.79SS**  trans76.3144.7145.466.50000120.7
186S27Very low29.1Very low124 Ų124140.4 Ų140.487%0.86779%0.793SS**  trans-154.9126.6164.8-85.10000111.1
187T26.5Very low29.4Very low143 Ų143143.1 Ų143.188%0.87779%0.792SS**  trans-102.1137.1178.1-67.10000110.2
188V41.6Very low29.8Very low139 Ų139144.8 Ų144.884%0.84280%0.796SS**  trans-75.9124.2-176.1177.60000112
189R26.8Very low29.8Very low242 Ų242146 Ų14691%0.91379%0.792SS**  trans-151.4126.4158.1-125.7172.5-173.9171.71.5116.3
190R27.5Very low29.9Very low223 Ų223148.7 Ų148.784%0.84279%0.792SS**  trans-45.9143.5162.2167-158-60.8149.8-1.2114.3
191I30.1Very low29.7Very low157 Ų157144.5 Ų144.581%0.80579%0.794SS**  trans-160.8175.4145.1-107.8154.3000113
192L27.9Very low29.1Very low123 Ų123144.7 Ų144.764%0.64480%0.798SS**  trans-98-169.2-157.9-58.875.4000115.4
193F26.9Very low29.1Very low163 Ų163149 Ų14972%0.71580%0.804SS**  trans96.8151.5147.8-60.8-52000118.4
194Q25.7Very low29.1Very low161 Ų161147.3 Ų147.375%0.75280%0.8SS**  cis-166.1161.1-22.7-176.7161.613.900110.2
195T32.3Very low29.1Very low131 Ų131149.8 Ų149.880%0.80480%0.801SS**  trans-72.7136.5-179.4-42.10000114.1
196V24.5Very low29Very low137 Ų137150.4 Ų150.483%0.8380%0.795SS**  trans-140.2143.2163.5179.60000109.8
197Q32Very low29.1Very low175 Ų175151 Ų15182%0.81878%0.784SS**  trans-100.4152.1172.4-77.6-160.949.300112.4
198P36.5Very low29.3Very low119 Ų119152.6 Ų152.677%0.77378%0.778SS**  trans-92.1153156.536.4-30.6000112.1
199N25.7Very low28.8Very low151 Ų151152 Ų15281%0.80777%0.767SS**  trans-148.2127.6-178.2-177.814000111.4
200T29.9Very low28.8Very low140 Ų140147.1 Ų147.186%0.85976%0.758SS**  trans176125.5162.328.80000107.1
201G26.3Very low29.2Very low77 Ų77144 Ų14479%0.79475%0.747SS**  93.6136.48400000111.7
202S29Very low29.2Very low110 Ų110144.5 Ų144.577%0.76974%0.743SS**  cis-166.9172.12.467.20000113
203K28.5Very low29.4Very low185 Ų185143.5 Ų143.580%0.80474%0.742SS**  trans77.3115.9151.6-83.3-175.8174.5177.40123.7
204L27.7Very low29.3Very low143 Ų143141 Ų14175%0.74974%0.743SS**  96.9136.4125.4-120.574.9000123
205K28Very low29.5Very low168 Ų168138.1 Ų138.173%0.7374%0.741SS**  trans74.4118.3164.3-69.7-170.6175.8-172.10116.8
206Q29Very low29.3Very low148 Ų148137.1 Ų137.169%0.69274%0.74SS**  87.8124.968-174.9174.26.800109.5
207E29Very low29.5Very low136 Ų136136 Ų13664%0.63674%0.738SS**  cis-158.115926.7-150.3161-104.500113
208K30.1Very low29.5Very low177 Ų177133.8 Ų133.877%0.7774%0.736SS**  trans53.6133.5159.1-85.9172179.3176.60120.1
209E31.2Very low29.3Very low127 Ų127133.7 Ų133.759%0.59374%0.738SS**  cis69.3125.231.1-148.9167.2-16200112.8R211E209-R211 HydrophobicContact CG-CB 4.23Å; E209-R211 IonicContact OE1-CZ 3.16Å; E209-R211 IonicContact OE1-NE 3.7Å; E209-R211 PolarHBondContact OE1-NE 3.21Å; E209-R211 IonicContact OE1-NH2 3.58Å; E209-R211 PolarHBondContact OE1-NH2 2.9Å
210D27.6Very low29.8Very low138 Ų138131.8 Ų131.874%0.73874%0.736SS**  cis-112.7154.842.1-75.8-57.8000116.2
211R35.2Very low29.9Very low158 Ų158131.3 Ų131.360%0.59674%0.739SS**  cis84.8136.133.6-179.6-175.8-76.2-108.67.9111.9E209E209-R211 HydrophobicContact CG-CB 4.23Å; E209-R211 IonicContact OE1-CZ 3.16Å; E209-R211 IonicContact OE1-NE 3.7Å; E209-R211 PolarHBondContact OE1-NE 3.21Å; E209-R211 IonicContact OE1-NH2 3.58Å; E209-R211 PolarHBondContact OE1-NH2 2.9Å
212F30.4Very low30.3Very low167 Ų167132.9 Ų132.973%0.73274%0.738SS**  cis-147.4-173.26.5-134.5179000108.2
213V31.1Very low30.3Very low103 Ų103136.2 Ų136.262%0.62475%0.745SS**  cis-158.3144.2-5.467.20000104.9
214C25.6Very low30.3Very low109 Ų109130.5 Ų130.574%0.73674%0.739SS**  62.4154.763.6-112.30000115.7
215S29.6Very low30.6Very low101 Ų101132.3 Ų132.371%0.70674%0.743SS**  cis-122.2-134.21.7-62.20000110.1
216S27.6Very low30.7Very low111 Ų111129.3 Ų129.378%0.77674%0.735SS**  cis-176.6157-7.424.60000107.3
217S30.2Very low30.5Very low113 Ų113131.5 Ų131.579%0.7974%0.737SS**  cis-166179.9-16.361.90000110.1
218V32Very low32Very low129 Ų129130.2 Ų130.278%0.78274%0.741SS**  trans-86.5176.8163.6-73.60000110.3
219S31Very low31.8Very low116 Ų116128.3 Ų128.381%0.81173%0.734SS**  cis-160.3-172.932.8-56.20000113.2
220S36.4Very low31.7Very low111 Ų111127.1 Ų127.178%0.77674%0.74SS**  trans-114.4154.4-177.156.40000115.6
221S32.6Very low31.7Very low131 Ų131126.7 Ų126.792%0.91674%0.738SS**  trans-174.3166146.9-85.70000115.1
222S34.4Very low31.5Very low109 Ų109126.5 Ų126.576%0.76275%0.748SS**  trans-94.7164.4-163.154.70000118.4
223I30.2Very low31.4Very low181 Ų181123 Ų12393%0.92874%0.743SS**  trans-164.6163.8147.3-106.1158.1000110.2
224G27.1Very low31.2Very low65 Ų65125.3 Ų125.367%0.6775%0.749SS**  trans-173.5-172.6175.900000116.8
225Q34.2Very low31.3Very low180 Ų180124.9 Ų124.984%0.84175%0.747SS**  trans76.4155.6-179.3-59-163.74.700116
226N29.3Very low31.3Very low106 Ų106125.4 Ų125.457%0.56775%0.751SS**  cis-164.3162.215.7-133.2-14.7000116.7
227W25.1Very low31.3Very low194 Ų194128 Ų12874%0.73575%0.751SS**  trans59.9170153.4-68.1120.2000122.3
228P60.6Low31.5Very low108 Ų108126.4 Ų126.470%0.70174%0.739SS**  cis-134.8164.9-12.621.93.2000120.2
229H25.9Very low31.3Very low137 Ų137128.6 Ų128.663%0.63474%0.741SS**  trans38.2144.7147.7-73.1-104.7000123.3
230S28.7Very low31.3Very low102 Ų102128.1 Ų128.171%0.71374%0.738SS**  cis101.7133.713-600000117.6
231D28.1Very low30.9Very low129 Ų129131.9 Ų131.969%0.6974%0.74SS**  trans139.3114.5148-70.3-1.6000113.1
232L30.9Very low30.8Very low154 Ų154133.3 Ų133.381%0.80674%0.735SS**  74143.294.5-65.5166.2000114.7
233C28.1Very low30.6Very low95 Ų95136 Ų13664%0.64274%0.735SS**  cis-161.4167.216-144.20000115
234M27.2Very low30.7Very low150 Ų150134.3 Ų134.374%0.73973%0.726SS**  trans71.1117.7157.1-66.1-63.198.100124
235S27.6Very low30.6Very low101 Ų101138.2 Ų138.271%0.70673%0.732SS**  30.8136.8126.4-49.30000121.7
236S29.2Very low30.5Very low112 Ų112134.9 Ų134.978%0.78373%0.728SS**  cis-172.9-170.2-0.448.50000108.7
237E27.7Very low31.3Very low165 Ų165135.1 Ų135.177%0.77174%0.736SS**  cis-157.1-123.811.4-154.6-135.975.400112.9
238S35.5Very low31.4Very low79 Ų79134.3 Ų134.355%0.55275%0.745SS**  trans-50.5158.5179.3-85.70000118
239Q28.5Very low29.9Very low175 Ų175133.4 Ų133.482%0.81874%0.741SS**  cis-157152.913.8-13416371.400113.8
240S29.9Very low30Very low107 Ų107134 Ų13475%0.74875%0.749SS**  trans21.2143.1152.6-115.90000121.9
241K28.6Very low30.1Very low190 Ų190133.4 Ų133.483%0.82675%0.745SS**  cis-162.2152.521.8-161170.7-177.7177.60112.6
242M31Very low30.2Very low161 Ų161134.6 Ų134.679%0.79375%0.75SS**  trans-20.8137.5175.5-45.3-62.6-109.600118.3
243Q29.5Very low30.1Very low166 Ų166134.9 Ų134.978%0.77675%0.752SS**  cis80.3124.726.8-158.8164.70.200114.1
244I31.8Very low30Very low145 Ų145135.1 Ų135.174%0.74475%0.754SS**  cis-148.2177.6-5.7-136.7170.7000113
245N26.2Very low30Very low146 Ų146133 Ų13378%0.78175%0.752SS**  trans-88.9173.7-173.9-61.2-38.5000116.1
246S31.2Very low30.1Very low110 Ų110135.4 Ų135.477%0.76976%0.756SS**  trans-45.7-169135.2-134.70000113.6
247P45.7Very low30.1Very low112 Ų112138.1 Ų138.173%0.72776%0.756SS**  cis-133.8-163.1-3.740.9-21000113.5
248L28.1Very low30Very low176 Ų176135.4 Ų135.492%0.92175%0.754SS**  trans-149.3128.2164.1-102.3171.9000111.4
249S28.7Very low29.6Very low90 Ų90140.7 Ų140.763%0.62977%0.767SS**  trans-163.5160.9165.968.50000112.5
250D28.1Very low29.6Very low149 Ų149138.1 Ų138.180%0.79776%0.763SS**  trans70.9153.8153.6-53.9-39.5000119.5
251S30Very low29.4Very low90 Ų90140.5 Ų140.563%0.62976%0.763SS**  cis-168.6134.3-5.2135.70000115.7
252L30.6Very low29.5Very low153 Ų153138.1 Ų138.180%0.80176%0.759SS**  trans66.6171.6134.7-56.9176.2000126.2
253L28.4Very low29.5Very low160 Ų160138.5 Ų138.584%0.83876%0.759SS**  trans83.2148.1168.6-90.566.6000118.3
254C26.4Very low29.4Very low100 Ų100132.8 Ų132.868%0.67674%0.744SS**  cis-168.1168.2-11.6-160.20000108.7
255C28.3Very low29.3Very low106 Ų106132.5 Ų132.572%0.71675%0.749SS**  cis-132.9-125.7-5.9-48.50000110.1
256I28.5Very low29.3Very low151 Ų151132 Ų13277%0.77475%0.752SS**  cis-143.4134.15.7-64.1171.1000110.6
257Q29.9Very low29.1Very low170 Ų170131.7 Ų131.779%0.79475%0.75SS**  trans14.5143.3145.9-118.5133.11.100123.2
258C25Very low28.3Very low108 Ų108133.3 Ų133.373%0.7375%0.747SS**  -157142.956.6-75.20000117.9
259K27.1Very low28.1Very low190 Ų190133.9 Ų133.983%0.82674%0.738SS**  trans63.1154.6145.1-67.1-172.6175-169.90119.8
260T28.2Very low28.1Very low120 Ų120138.2 Ų138.274%0.73675%0.746SS**  cis-127.21715.347.90000113.4
261E27Very low28.1Very low158 Ų158141.6 Ų141.674%0.73875%0.748SS**  trans-74.1179.3167.9-45.692.6162.100112.5
262D30.9Very low28.1Very low140 Ų140142.3 Ų142.375%0.74975%0.752SS**  cis-159.5171.85-149-4.4000112.9
263E29.1Very low28.1Very low169 Ų169145.1 Ų145.179%0.7976%0.758SS**  trans40.3148.8157.4-75.9-74.5101.900122
264G28.1Very low28.1Very low45 Ų45141.4 Ų141.446%0.46476%0.759SS.*  cis167.2160.7-0.400000112.1
265T29.1Very low28.2Very low139 Ų139140.6 Ų140.685%0.85377%0.767SS**  trans65.9155.4170.6650000121
266V27.9Very low28.2Very low136 Ų136138.8 Ų138.882%0.82477%0.767SS**  cis-168.3163.9-42.9108.60000111.4
267S25.6Very low28.2Very low104 Ų104138.1 Ų138.173%0.72777%0.774SS**  trans78.9162.4162.6-157.60000119.6
268Q28.6Very low28.3Very low146 Ų146136.3 Ų136.368%0.68278%0.778SS**  -166175.7-67.4-128.9-160.148.900110.9
269Y25.3Very low28.5Very low187 Ų187134.5 Ų134.573%0.73378%0.778SS**  trans71.8154.2173.3-52.6-72.5000116.5
270K28.9Very low28.6Very low181 Ų181136 Ų13679%0.78779%0.785SS**  cis-154.4119.46.4-139.5164.4-173172.30114.6
271R27.8Very low28.6Very low221 Ų221136.3 Ų136.383%0.83479%0.792SS**  62.1100.5127.3-158.4177.3-158.5-177.58.2124.4
272S28.9Very low28.7Very low104 Ų104135.5 Ų135.573%0.72779%0.793SS**  65.8133.5123.3-46.70000125.8
273K31.9Very low28.7Very low213 Ų213134.5 Ų134.593%0.92679%0.792SS**  trans113.4127.1155.5-68-175.9175.9-172.90112.4
274G28.2Very low28.7Very low82 Ų82133.7 Ų133.785%0.84579%0.788SS**  cis109.6124.87.600000111.4
275G28.6Very low28.8Very low82 Ų82135.9 Ų135.985%0.84580%0.796SS**  cis-177.4178.7-1.700000112.4
276G27.2Very low28.9Very low69 Ų69135.8 Ų135.871%0.71179%0.79SS**  trans97.2106.2-174.500000111.9
277C30Very low28.9Very low137 Ų137134.1 Ų134.193%0.92678%0.783SS**  67121.872.4-60.80000112.2
278C32Very low29Very low132 Ų132140.5 Ų140.589%0.89279%0.792SS**  cis-155.1173.911.857.80000112.6
279G29.1Very low29Very low70 Ų70136.5 Ų136.572%0.72279%0.79SS**  trans104.2106.8161.400000117
280F28.7Very low29.3Very low222 Ų222134.3 Ų134.397%0.97480%0.796SS**  trans-5.6137.8167-68.8-90.4000120.8
281S28.6Very low29.4Very low126 Ų126134.7 Ų134.788%0.88180%0.8SS**  trans-129.8162.3171.461.30000112.7
282D29.3Very low29.4Very low141 Ų141129.4 Ų129.475%0.75480%0.797SS**  trans-94.6160.9-155.2-131.6-35.7000116.3
283T29.9Very low29.4Very low118 Ų118129 Ų12972%0.72479%0.793SS**  trans62.2168.1158.471.20000118.7
284H29.9Very low29.3Very low153 Ų153130.2 Ų130.271%0.70879%0.793SS**  cis-156.1156.41.3-155.3-95.5000111.5
285S30Very low29.4Very low91 Ų91132.9 Ų132.964%0.63679%0.788SS**  trans62.3157.315631.20000119.4
286D30.2Very low29.3Very low136 Ų136135.5 Ų135.573%0.72779%0.788SS**  cis-155170.5-6.4-130.3-49.4000114.4
287C27.7Very low30Very low102 Ų102137.6 Ų137.669%0.68979%0.789SS**  trans33121.8149.8-76.60000121.9
288R28.4Very low29.9Very low238 Ų238138 Ų13890%0.89879%0.787SS**  160.9139.298.1-172.5173.2-60.3-102.8-2.1111.8
289G28.4Very low30Very low62 Ų62139.8 Ų139.864%0.63979%0.787SS**  trans-105.6160.6176.700000114.4
290T31.5Very low30.1Very low141 Ų141146.1 Ų146.187%0.86580%0.795SS**  trans-146.8162.2172.826.70000110.7
291H30.5Very low30.4Very low188 Ų188144 Ų14487%0.8779%0.793SS**  trans-120.1147.3-166.9-46-98000113
292S28.6Very low30.8Very low110 Ų110149.3 Ų149.377%0.76979%0.794SS**  trans-156.9129.4146.3-157.70000107.2
293C28.4Very low30.9Very low95 Ų95146.9 Ų146.964%0.64279%0.793SS**  62.3119.452.8-90.10000115
294Y30.1Very low31Very low239 Ų239149.3 Ų149.394%0.93780%0.801SS**  trans-134.898.6152.7-89.2-68.6000107.5
295D29.3Very low31.1Very low138 Ų138148.8 Ų148.874%0.73880%0.803SS**  trans-79.4151168-73.6-77000110.6
296T28.2Very low31.1Very low137 Ų137150.4 Ų150.484%0.8481%0.814SS**  trans-135143.7152.335.90000108.9
297P42.2Very low31.2Very low114 Ų114154.7 Ų154.774%0.7482%0.82SS**  trans-94.3152.1-142.834.4-37.2000115.1
298T27.6Very low31.7Very low145 Ų145155.9 Ų155.989%0.8983%0.827SS**  trans-123.2103.8157.538.50000109.8
299L33.5Very low31.6Very low170 Ų170149.4 Ų149.489%0.8982%0.818SS**  trans-79.2124.6175.5-75.1171.4000110.6
300K32.1Very low31.8Very low203 Ų203151.5 Ų151.588%0.88382%0.823SS**  trans-107108.7160.1-81.8-174.8174.1178.20109.1
301L34.6Very low31.4Very low177 Ų177151.6 Ų151.693%0.92782%0.818SS**  trans-69.5147.4160-70171.5000109.5
302R35.6Very low31.3Very low238 Ų238147 Ų14790%0.89881%0.807SS**  trans-148.2119.9172.7-153.2-179.9-164.3-168.32.6110.6
303A33.1Very low31.2Very low89 Ų89148.6 Ų148.674%0.73681%0.806SS**  trans27.3131.2157.600000120.5
304L31.1Very low31.4Very low170 Ų170150.4 Ų150.489%0.8981%0.81SS**  -156.7169.5110.4-105.7169000111
305D32.2Very low32.6Very low141 Ų141143.9 Ų143.975%0.75480%0.797SS**  trans-95174.5-163.6-73.4-77000115.8
306S30.6Very low33.6Very low126 Ų126143.2 Ų143.288%0.88180%0.799SS**  trans97.1147.1152.777.50000120.3
307R31.5Very low33.8Very low225 Ų225140.2 Ų140.285%0.84979%0.789SS**  trans-95158.9-174.7-118.2176179.5177.8-1.2109.6
308P38.1Very low33.3Very low127 Ų127142.7 Ų142.783%0.82579%0.791SS**  -144.3-158.771.538.5-18.2000115.2
309S27.1Very low33.4Very low103 Ų103141.7 Ų141.772%0.7278%0.779SS**  trans-109-166.6-162.5-49.40000114.6
310S31.5Very low33.2Very low106 Ų106139.6 Ų139.674%0.74177%0.769SS**  trans90.4142178-78.90000116
311D24.6Very low33.3Very low143 Ų143135.6 Ų135.677%0.76576%0.762SS**  cis-156170.82.2-129.8-52.7000115.9
312S26.9Very low34.2Very low90 Ų90132.7 Ų132.763%0.62975%0.754SS**  trans62.9110.5153.9-165.90000124
313L27.7Very low34.1Very low144 Ų144125.8 Ų125.875%0.75475%0.748SS**  29.8147.3112-57.7163.1000119.6
314N31.1Very low34Very low134 Ų134131.3 Ų131.372%0.71775%0.749SS**  cis-172.6-1607.9-128.3-7.8000109
315P56.9Low33.9Very low102 Ų102133.1 Ų133.166%0.66275%0.745SS**  -122.9-152.8-5442.4-25.7000109.7
316P49.4Very low33.8Very low123 Ų123133.3 Ų133.380%0.79974%0.741SS**  cis-123.7-142-14.343.3-23.9000110.8
317A33.1Very low34.4Very low74 Ų74132.9 Ų132.961%0.61274%0.735SS**  cis-161.1155.5-5.300000110.3
318Q31.1Very low34.1Very low167 Ų167130.4 Ų130.478%0.7873%0.731SS**  trans51.1147.3149.1-65.5-173.4-84.200121
319D28.8Very low34.4Very low123 Ų123129.9 Ų129.966%0.65873%0.727SS**  cis-157162-2.8-114.9-8.9000115
320D30.1Very low34.4Very low126 Ų126129.1 Ų129.167%0.67472%0.722SS**  trans37.2104.5153.5-94.2-46.5000127.5
321T34.1Very low34.2Very low120 Ų120132.5 Ų132.574%0.73673%0.726SS**  60.1-170.8117.170.80000122.7
322P54.7Low34.4Very low115 Ų115128.8 Ų128.875%0.74772%0.716SS**  -141.9175.6-9546.3-27.9000120.9
323A33.3Very low34.6Very low94 Ų94132.8 Ų132.878%0.77772%0.724SS**  trans107.6126.2131.900000125.1
324R30.1Very low34.6Very low204 Ų204135.7 Ų135.777%0.7773%0.725SS**  trans82.4116.4132.2-167.6-170.9-170-163.77122.8
325R28.3Very low34.6Very low209 Ų209135.4 Ų135.479%0.78972%0.723SS**  -174.2167.5115.5-93.6-66.6174.9161.92.6112.4
326Q30.4Very low33.2Very low144 Ų144136.9 Ų136.967%0.67373%0.725SS**  trans-116173.3-176-85.8-106.20.300109.4
327P44.2Very low32.3Very low118 Ų118139.6 Ų139.677%0.76673%0.727SS**  cis-145-177.226.142.9-21.6000119.8
328F25.9Very low32Very low173 Ų173142.8 Ų142.876%0.75974%0.739SS**  trans-72.4-178.9168.3-76.5-76.2000114.1
329P44Very low31.9Very low115 Ų115142.2 Ų142.275%0.74774%0.74SS**  cis-132.4-165.523.346-26.6000114.7
330S26.2Very low32.4Very low87 Ų87141.9 Ų141.961%0.60875%0.745SS**  cis-141.4146.613.6-100.70000110.1
331E26.8Very low32.5Very low177 Ų177143.4 Ų143.483%0.82775%0.753SS**  57.7141.185.2-61.2-177.5126.800116.3
332A28.8Very low32.1Very low66 Ų66143.3 Ų143.355%0.54576%0.757SS.*  cis-170169.5-16.700000110.5
333H31.2Very low31.7Very low173 Ų173143 Ų14380%0.80176%0.755SS**  trans70.5158163.5-53.6-34.1000116.9
334R29.1Very low31.6Very low205 Ų205143.6 Ų143.677%0.77475%0.753SS**  cis-159.9162.1-12.5-122.8-179-177-143.32111
335L29.9Very low31.8Very low129 Ų129141.6 Ų141.668%0.67575%0.753SS**  trans65.4118.8151.3-66.8166.9000121.6
336N27.9Very low31.9Very low132 Ų132138.1 Ų138.171%0.70675%0.745SS**  32.2121.5128.2-58.1-5.3000121.7
337Q30.9Very low32Very low180 Ų180137.4 Ų137.484%0.84174%0.741SS**  trans33.6117.2133.8-59-178.558.700119.7
338T26Very low31.3Very low142 Ų142139.2 Ų139.287%0.87174%0.739SS**  174.9136.7124.6-760000111.4
339L29.7Very low31.4Very low154 Ų154135.9 Ų135.981%0.80673%0.733SS**  trans-92.5163.6167.4-91.2136.2000109.6
340P39.2Very low30.8Very low117 Ų117136.5 Ų136.576%0.7674%0.735SS**  cis-137.2-158.214.538.6-16.4000115
341L31.7Very low30.6Very low158 Ų158138.9 Ų138.983%0.82774%0.741SS**  trans-73.4156-178.5-59.3101.2000115.7
342S25.9Very low30.8Very low117 Ų117134.9 Ų134.982%0.81873%0.732SS**  trans179.9169.6160.3-90.50000111.1
343P45.8Very low31.1Very low109 Ų109136.3 Ų136.371%0.70874%0.738SS**  cis-143.2-169.3-32.638.3-19.4000114.4
344S32.6Very low31Very low106 Ų106137.1 Ų137.174%0.74174%0.743SS**  trans83.6144155.7-54.10000117.8
345Q33.5Very low31.1Very low163 Ų163136.2 Ų136.276%0.76275%0.747SS**  cis-124.9168.24.2-77.8-170.41.700109.6
346H30.3Very low31Very low135 Ų135135.8 Ų135.863%0.62575%0.75SS**  cis-166177.3-6.6-111.8-15000106.8
347Q32.1Very low31Very low129 Ų129136.6 Ų136.660%0.60375%0.749SS**  cis-156.7169.5-0.5-134.1166.331.700108.6
348H29Very low30.9Very low156 Ų156135.7 Ų135.772%0.72275%0.745SS**  trans47.7134.7157.3-66.3-54.3000120.9
349T28.6Very low31.1Very low103 Ų103134.3 Ų134.363%0.63274%0.741SS**  cis-167.8127.4-6.1-82.50000108.4
350V31Very low31.4Very low128 Ų128133 Ų13378%0.77674%0.741SS**  trans40.8133.2142.2-175.80000119.3
351D23.7Very low31.5Very low138 Ų138133.8 Ų133.874%0.73875%0.746SS**  cis-153.7168.823-146-24000114.6
352S31Very low31.4Very low93 Ų93130.9 Ų130.965%0.6574%0.74SS**  trans16.6149.9146.7-71.60000124.4
353S33.4Very low31.5Very low96 Ų96132.9 Ų132.967%0.67174%0.74SS**  cis-167.7138.3-10.9-100.50000113.8
354Q30.8Very low30.8Very low190 Ų190132.7 Ų132.789%0.88874%0.741SS**  trans43.3137.4148.1-60.6-173.2-51.600124.8
355E29.4Very low30.5Very low186 Ų186135.8 Ų135.887%0.86974%0.744SS**  trans-108.4170157.2-58.4-177.4128.500111
356T27.9Very low30.4Very low119 Ų119133.3 Ų133.373%0.7375%0.745SS**  trans-165.1141.6142.64.30000116.5
357H28.6Very low30.2Very low150 Ų150130.2 Ų130.269%0.69475%0.749SS**  trans66.298.2150.5-58.5-42.1000124.6
358H28.1Very low29.9Very low161 Ų161129.9 Ų129.975%0.74576%0.761SS**  51.4123122.3-48.5-51.9000124.7
359S31.3Very low29.8Very low113 Ų113126.9 Ų126.979%0.7976%0.758SS**  trans74.6118.1132.8-58.80000122.4
360P36.3Very low29.8Very low125 Ų125129.7 Ų129.781%0.81277%0.768SS**  trans-110.6152.2160.437.9-29.5000114.3
361P41.7Very low29.7Very low134 Ų134129.1 Ų129.187%0.8777%0.77SS**  trans-97.4-164.7174.839.5-35.9000113.7
362S28.1Very low29.7Very low98 Ų98127.3 Ų127.369%0.68577%0.774SS**  trans-110.4150.7-160.657.60000117
363L28.8Very low29.5Very low159 Ų159130 Ų13083%0.83279%0.787SS**  trans49.6118139.8-65169.9000120.3
364S30.2Very low29.3Very low104 Ų104130.8 Ų130.873%0.72779%0.792SS**  153.5145.4101.4-940000116.6
365E27.4Very low29.1Very low172 Ų172127.1 Ų127.180%0.80479%0.787SS**  trans65109.4147.1-66.5-156.99700124.2
366S29.9Very low29Very low111 Ų111124.6 Ų124.678%0.77679%0.785SS**  75.5119.5112.9-55.10000122.2
367G26.6Very low29Very low70 Ų70127.7 Ų127.772%0.72279%0.791SS**  trans140.9100.413500000119.2
368S27.2Very low29Very low122 Ų122123.5 Ų123.585%0.85379%0.788SS**  trans62.7155.2145.6-64.10000120.5
369S25.6Very low29.2Very low93 Ų93123.9 Ų123.965%0.6580%0.795SS**  cis-168.8164.5-20.552.20000110.2
370L28.5Very low29.3Very low162 Ų162124 Ų12485%0.84879%0.791SS**  trans69.4156173.4-41.1178000114.6
371S28.6Very low29.1Very low115 Ų115127.8 Ų127.880%0.80479%0.789SS**  cis-145.6145.512.4-56.60000111.9
372A25.1Very low28.7Very low100 Ų100128.7 Ų128.783%0.82678%0.781SS**  trans-163.2103.1156.100000112.2
373T26.2Very low28.8Very low151 Ų151127 Ų12793%0.92678%0.779SS**  trans-143.2135.1162.247.10000109.4
374S29.6Very low28.9Very low112 Ų112125.8 Ų125.878%0.78378%0.784SS**  trans-112.8152.6176.653.50000110.6
375S26.1Very low29.4Very low112 Ų112128.3 Ų128.378%0.78379%0.789SS**  trans167.8120.2131.956.30000113.7
376T28Very low30.2Very low133 Ų133126 Ų12682%0.81679%0.789SS**  trans-175.6155.8163.5280000108
377E27.6Very low30.4Very low185 Ų185125.5 Ų125.586%0.86479%0.785SS**  cis-161.3172-34.8-140.8-167.8107.400109.8
378G28.1Very low31.6Very low61 Ų61127.8 Ų127.863%0.62979%0.787SS**  trans83.6113175.800000114.3
379L32.9Very low32.8Very low169 Ų169126.7 Ų126.789%0.88578%0.777SS**  70.2117.362.2-151.480.9000111.3
380V32Very low33.3Very low117 Ų117130.1 Ų130.171%0.70979%0.787SS**  -172.8138.777.9155.50000111.1
381R33Very low34.3Very low203 Ų203126.9 Ų126.977%0.76678%0.776SS**  trans44.5131.9149-167.3169.3-162.4135.326.3120
382E33.6Very low34.7Very low154 Ų154131.8 Ų131.872%0.7278%0.778SS**  cis-161.2-170.90.8-123.6163.3-168.200107.7
383G29.3Very low35.4Very low61 Ų61132.6 Ų132.663%0.62978%0.778SS**  cis164177100000113.3
384S30.5Very low35.9Very low135 Ų135129.6 Ų129.694%0.94476%0.763SS**  trans66.4143.8173.9-68.60000120.1
385L41.3Very low36.8Very low157 Ų157130 Ų13082%0.82276%0.763SS**  trans-115.3165.9-165.3-89.6169.5000110.9
386P43.9Very low37.8Very low124 Ų124131.7 Ų131.781%0.80576%0.762SS**  -149.2-177.550.241.9-20.1000119.1
387S34.7Very low38.8Very low100 Ų100132.1 Ų132.170%0.69976%0.759SS**  trans-116.7176.1171.5-29.80000109.2
388P52.8Low39.9Very low118 Ų118128.6 Ų128.677%0.76676%0.755SS**  cis-142-147.135.335.7-8.2000113.4
389P50.8Low40.9Very low99 Ų99136.1 Ų136.164%0.64376%0.764SS**  -132.6150.7-76.239-23.3000117.3
390L37Very low41.5Very low164 Ų164136 Ų13686%0.85976%0.757SS**  trans62.2170.3141.5-73.8176.8000118.9
391P50.2Low42.3Very low94 Ų94135.3 Ų135.361%0.6175%0.753SS**  cis-143.7175.517.748.1-30000120.6
392Y35.6Very low43.1Very low218 Ų218132.5 Ų132.586%0.85576%0.761SS**  trans57.7106.6156.8-53.6-49.4000121.9
393S40.7Very low43.8Very low117 Ų117128.3 Ų128.382%0.81876%0.76SS**  trans-92.3156.5148.755.20000111.3
394S35.9Very low44.3Very low89 Ų89131.9 Ų131.962%0.62276%0.764SS**  trans-96.5143.3172.256.10000111.6L396S394-L396 VanDerWaalsContact C-N 3.31Å; S394-L396 PolarHBondContact O-N 3.31Å
395P49Very low45.4Very low120 Ų120131 Ų13178%0.77976%0.756SS**THydrogen-bonded Turntrans-85.729.5-150.134.8-40000116.3
396L46.3Very low45.7Very low147 Ų147129.1 Ų129.177%0.7775%0.754SS**THydrogen-bonded Turntrans-110-9.6-173.6-63.6-179.2000115.6S394S394-L396 VanDerWaalsContact C-N 3.31Å; S394-L396 PolarHBondContact O-N 3.31Å
397L49.7Very low46.2Very low143 Ų143129.6 Ų129.675%0.74975%0.754SS**SBendtrans-98.4-2.2-171.2-71.8171.2000115.7R399L397-R399 PolarHBondContact O-N 3.04Å
398S50.6Low46.8Very low111 Ų111130.2 Ų130.278%0.77676%0.756SS**THydrogen-bonded Turntrans-84.321.1-17965.10000115.1
399R49Very low46.4Very low219 Ų219129.1 Ų129.183%0.82675%0.751SS**THydrogen-bonded Turntrans-119.74.1-169.8-80.6-78.2-174.9146.30.7115.4L397L397-R399 PolarHBondContact O-N 3.04Å
400F45.8Very low46.4Very low165 Ų165130.6 Ų130.672%0.72476%0.76SS**  trans-114105.7176.4-63.3-71000110.9
401T49.6Very low46.9Very low103 Ų103133.7 Ų133.763%0.63276%0.761SS**  trans-75.115016440.50000110.1G403T401-G403 VanDerWaalsContact C-N 3.29Å; T401-G403 PolarHBondContact O-N 3.32Å
402P49.7Very low46.6Very low145 Ų145134.1 Ų134.194%0.94277%0.765SS**THydrogen-bonded Turntrans-75.581.3175.131.6-34.3000110.3
403G48.7Very low47.1Very low66 Ų66129.5 Ų129.568%0.6876%0.762SS**THydrogen-bonded Turntrans-167-44.117900000114.4T401T401-G403 VanDerWaalsContact C-N 3.29Å; T401-G403 PolarHBondContact O-N 3.32Å
404D39.8Very low47.3Very low136 Ų136129.1 Ų129.173%0.72776%0.759SS**  trans-94.6105.9-176-75.5-57.2000112.9
405C52.4Low48Very low115 Ų115132 Ų13278%0.77777%0.766SS**PPolyproline II helixtrans-73.3126.6164.9-71.10000110V407C405-V407 PolarHBondContact O-N 3.35Å
406P47.6Very low47.7Very low119 Ų119131.7 Ų131.777%0.77377%0.767SS**PPolyproline II helixtrans-64.7122.6175.326.5-33.3000110.2
407V54.4Low47.7Very low134 Ų134132.3 Ų132.381%0.81277%0.766SS**PPolyproline II helixtrans-58.7123.2-177.7179.40000110C405C405-V407 PolarHBondContact O-N 3.35Å
408P48.4Very low47Very low112 Ų112129.4 Ų129.473%0.72776%0.758SS**PPolyproline II helixtrans-65.5137.5178.826.8-33.9000110.5
409S44.5Very low46.9Very low96 Ų96131.7 Ų131.767%0.67176%0.76SS**PPolyproline II helixtrans-57.9139.7-174.8-168.70000111.8R411S409-R411 PolarHBondContact O-N 2.89Å
410P48.8Very low47Very low129 Ų129131.4 Ų131.484%0.83876%0.759SS**THydrogen-bonded Turntrans-67.619.7-164.9-23.735.7000118.2
411R48.8Very low46.8Very low229 Ų229134 Ų13486%0.86477%0.765SS**THydrogen-bonded Turntrans-113.95.4-173.1-73.1-177.1168.5162.5-2.9115.3S409S409-R411 PolarHBondContact O-N 2.89Å
412C43.9Very low46.7Very low104 Ų104136.2 Ų136.270%0.70377%0.773SS**  trans-136.782.9-177.4-64.80000114.8S414C412-S414 PolarHBondContact O-N 2.93Å
413P46.1Very low46.7Very low121 Ų121137.3 Ų137.379%0.78677%0.771SS**  trans-80-6.6-177.9-16.232.3000116.7
414S43.6Very low46.8Very low108 Ų108138.1 Ų138.176%0.75576%0.759SS**SBendtrans-120.815.2-153.756.50000117.3C412C412-S414 PolarHBondContact O-N 2.93Å
415L52.1Low47.6Very low150 Ų150137.2 Ų137.279%0.78576%0.761SS**  trans-114.98.5-177.2-85.5168.7000115.6H417L415-H417 VanDerWaalsContact C-N 3.32Å; L415-H417 PolarHBondContact O-N 3.2Å
416S42.9Very low47.9Very low113 Ų113138.8 Ų138.879%0.7976%0.762SS**THydrogen-bonded Turntrans-82.88.8-178.547.70000115.6
417H45.8Very low48.4Very low161 Ų161137.9 Ų137.975%0.74575%0.754SS**THydrogen-bonded Turntrans-140.737.5-171.9-144.8-66.8000115.9L415L415-H417 VanDerWaalsContact C-N 3.32Å; L415-H417 PolarHBondContact O-N 3.2Å
418S35.6Very low48.6Very low82 Ų82135.4 Ų135.457%0.57375%0.747SS**  trans-97.387.6170.2-151.70000111.6R420S418-R420 PolarHBondContact O-N 3.03Å
419L47.4Very low48.9Very low158 Ų158136 Ų13683%0.82775%0.752SS**  trans-67.493.4168.5-70.4168.3000109.3
420R50.7Low48.8Very low213 Ų213136.7 Ų136.780%0.80476%0.756SS**  trans-140.217.5-178.8-77.8-164.6171.3-167.8-1.7115.3S418 N422S418-R420 PolarHBondContact O-N 3.03Å; R420-N422 PolarHBondContact O-N 3.18Å
421Y41.6Very low48.8Very low220 Ų220136.2 Ų136.286%0.86375%0.753SS**  trans-86.296.9162.6-74.5-76.6000109.2
422N47.4Very low48.8Very low149 Ų149130.6 Ų130.680%0.79775%0.746SS**  trans-77134.5155.7-70.8-39.4000107.3R420R420-N422 PolarHBondContact O-N 3.18Å
423L49.4Very low48.5Very low169 Ų169137 Ų13789%0.88576%0.756SS**  trans-101.820.1-179-70.4168.4000112.4
424D51.9Low48.5Very low83 Ų83136.7 Ų136.744%0.44476%0.756SS.*  trans-95.4119-178.5174.934.7000110.5D426 T427D424-D426 PolarHBondContact OD1-N 3.01Å; D424-T427 WeakPolarHBondContact OD2-CB 3.43Å; D424-T427 PolarHBondContact OD2-N 3.43Å; D424-T427 PolarHBondContact OD2-OG1 3.47Å
425P57.1Low48.4Very low117 Ų117139.9 Ų139.976%0.7676%0.759SS**SBendtrans-77.2-21.2-175.930.9-35.6000114.4
426D58.3Low47.8Very low148 Ų148141.3 Ų141.379%0.79176%0.762SS**SBendtrans-100.9-8.8-170.1-72-56000114.5D424 A428D424-D426 PolarHBondContact OD1-N 3.01Å; D426-A428 PolarHBondContact O-N 3.05Å; D426-A428 VanDerWaalsContact O-N 3.15Å
427T57.6Low47.6Very low99 Ų99142.9 Ų142.961%0.60776%0.759SS**SBendtrans-74104170.8-71.80000111.4D424D424-T427 WeakPolarHBondContact OD2-CB 3.43Å; D424-T427 PolarHBondContact OD2-N 3.43Å; D424-T427 PolarHBondContact OD2-OG1 3.47Å
428A57.6Low47.4Very low82 Ų82146.8 Ų146.868%0.67877%0.768SS**PPolyproline II helixtrans-58.4129.9175.400000112.4D426 S430D426-A428 PolarHBondContact O-N 3.05Å; D426-A428 VanDerWaalsContact O-N 3.15Å; A428-S430 PolarHBondContact O-N 3.31Å
429P55.6Low47.4Very low126 Ų126150.2 Ų150.282%0.81878%0.777SS**PPolyproline II helixtrans-68.8133.4-176.226.9-34.4000112.1
430S43.3Very low47.1Very low110 Ų110147.4 Ų147.477%0.76978%0.776SS**PPolyproline II helixtrans-63.8146.2-178.2-42.10000112.6A428A428-S430 PolarHBondContact O-N 3.31Å
431P48.8Very low46.6Very low118 Ų118147.9 Ų147.977%0.76678%0.778SS**PPolyproline II helixtrans-56.4137.9-179.8-2735000113.4R433P431-R433 PolarHBondContact O-N 3.33Å; P431-R433 VanDerWaalsContact O-N 3.16Å
432P47.1Very low46.2Very low112 Ų112144 Ų14473%0.72778%0.781SS**  trans-70.4112.5-173.326.8-34.1000112S434P432-S434 PolarHBondContact O-N 2.77Å
433R38.4Very low45.5Very low239 Ų239142 Ų14290%0.90278%0.779SS**  trans-64.7104.2170.3-92.8-172.8167175.4-2.4111.2P431 Q435P431-R433 PolarHBondContact O-N 3.33Å; P431-R433 VanDerWaalsContact O-N 3.16Å; R433-Q435 PolarHBondContact O-N 3.1Å
434S45.3Very low44.7Very low114 Ų114140.4 Ų140.480%0.79778%0.776SS**  trans40.372.315563.80000115.6P432 H436P432-S434 PolarHBondContact O-N 2.77Å; S434-H436 PolarHBondContact O-N 3.26Å
435Q43.5Very low44.1Very low175 Ų175141.9 Ų141.982%0.81879%0.79SS**PPolyproline II helixtrans-69.9128.5165.7-65.5-171.47.500109.8R433 I437R433-Q435 PolarHBondContact O-N 3.1Å; Q435-I437 PolarHBondContact O-N 3.31Å
436H38.2Very low43Very low180 Ų180140.7 Ų140.783%0.83379%0.79SS**PPolyproline II helixtrans-75.7120.8174.6-158.3130.2000109S434 R438S434-H436 PolarHBondContact O-N 3.26Å; H436-R438 PolarHBondContact O-N 3.07Å
437I39.3Very low42.2Very low145 Ų145143.1 Ų143.174%0.74480%0.797SS**PPolyproline II helixtrans-61.3118.5179.6-63.7172.6000109.5Q435 M439Q435-I437 PolarHBondContact O-N 3.31Å; I437-M439 PolarHBondContact O-N 3.39Å; I437-M439 VanDerWaalsContact O-N 3.11Å
438R41.1Very low41.3Very low243 Ų243146.2 Ų146.292%0.91780%0.804SS**  trans-7794.6174.5-71.2-172.5-70.1-175.3-2.5109.8H436 A440H436-R438 PolarHBondContact O-N 3.07Å; R438-A440 PolarHBondContact O-N 3.06Å
439M36.2Very low40.6Very low155 Ų155151.7 Ų151.776%0.76482%0.816SS**  trans-67.5126.4161.9-68.2-155.281.900109.5I437I437-M439 PolarHBondContact O-N 3.39Å; I437-M439 VanDerWaalsContact O-N 3.11Å
440A41.2Very low39.9Very low98 Ų98151.6 Ų151.681%0.8181%0.808SS**  trans-72.1128.8169.900000109.9R438R438-A440 PolarHBondContact O-N 3.06Å
441R39.5Very low40.2Very low224 Ų224150.3 Ų150.385%0.84581%0.812SS**  trans-135112159.8-73.3-170.2177.3178.8-0.3108.3
442C34.5Very low40.6Very low137 Ų137149 Ų14993%0.92681%0.806SS**  trans-73.7127.5163.8-61.80000108.1
443S32.2Very low42Very low109 Ų109147.4 Ų147.476%0.76279%0.794SS**  trans-135.5121.6162.454.50000107.5
444V31.8Very low44.4Very low134 Ų134139.3 Ų139.381%0.81277%0.774SS**  trans-56.8141.2177.1178.50000109.2A446V444-A446 PolarHBondContact O-N 2.77Å
445P40.7Very low46.4Very low115 Ų115135.1 Ų135.175%0.74774%0.744SS**  trans-66.2104.1169.228.4-33.8000109.3
446A33.5Very low48.6Very low91 Ų91130.8 Ų130.875%0.75273%0.733SS**  trans-74.3124.3150.900000106.8V444 Q448V444-A446 PolarHBondContact O-N 2.77Å; A446-Q448 PolarHBondContact O-N 2.92Å; A446-Q448 VanDerWaalsContact O-N 3.12Å
447E41.6Very low51.2Low200 Ų200123.4 Ų123.494%0.93570%0.702SS**  trans-71.8105.7169.2-64.1-152.3134.500108.4
448Q37.4Very low53.8Low164 Ų164116.8 Ų116.877%0.76667%0.669SS**  trans-127.2103.6164.3-171.2166.3-700108.4A446 D450A446-Q448 PolarHBondContact O-N 2.92Å; A446-Q448 VanDerWaalsContact O-N 3.12Å; Q448-D450 PolarHBondContact O-N 3.14Å; Q448-D450 VanDerWaalsContact O-N 3.09Å
449E43.7Very low56.3Low197 Ų197107.5 Ų107.592%0.92164%0.637SS**  trans-69.194.7175.9-178.2-176.117600109.8
450D40.2Very low59.1Low124 Ų124107.6 Ų107.666%0.66363%0.629SS**  trans-149.698.9170.9-129-38000112Q448 S452Q448-D450 PolarHBondContact O-N 3.14Å; Q448-D450 VanDerWaalsContact O-N 3.09Å; D450-S452 PolarHBondContact O-N 3.49Å
451G50.7Low61.7Low82 Ų82106 Ų10685%0.84561%0.605SS**  trans-7433.3-168.400000116.3V453G451-V453 PolarHBondContact O-N 3.05Å
452S56.4Low64.5Low92 Ų9295.4 Ų95.464%0.64357%0.565SS**  trans-73.9117.9-169.967.20000113.7D450 S454D450-S452 PolarHBondContact O-N 3.49Å; S452-S454 PolarHBondContact O-N 2.87Å
453V76.3Confident67.5Low77 Ų7794.2 Ų94.247%0.46755%0.545SS..  trans-76.1108.2178.7179.40000110.1G451 A457 L458 I512G451-V453 PolarHBondContact O-N 3.05Å; V453-A457 HydrophobicContact CG1-CB 4.24Å; V453-L458 HydrophobicContact CG1-CB 4.37Å; V453-I512 VanDerWaalsContact O-CD1 3.3Å; V453-I512 WeakPolarHBondContact O-CD1 3.09Å
454S88.4Confident70.6Confident70 Ų7092.2 Ų92.249%0.4953%0.529SS..  trans-53.7144.3-173.473.20000114.6S452 S456 A457 L458S452-S454 PolarHBondContact O-N 2.87Å; S454-S456 PolarHBondContact O-N 3.02Å; S454-S456 VanDerWaalsContact O-N 3.07Å; S454-A457 WeakPolarHBondContact O-CB 3.41Å; S454-A457 PolarHBondContact O-N 3.34Å; S454-L458 PolarHBondContact O-N 3.36Å
455V88.6Confident73.7Confident26 Ų2686 Ų8616%0.15849%0.491CS..Hα-helixtrans-49.9-38.3-179.2171.80000112.7N459 L509 I512V455-N459 PolarHBondContact O-N 3.14Å; V455-N459 PolarHBondContact O-ND2 2.89Å; V455-L509 HydrophobicContact CG1-CD1 3.84Å; V455-I512 HydrophobicContact CG2-CB 4.26Å; V455-I512 HydrophobicContact CG2-CG2 3.54Å
456S89.7Confident76.4Confident84 Ų8485 Ų8559%0.58747%0.473SS*.Hα-helixtrans-67.9-46.1177.1179.40000112.5S454 L458 N459 R460S454-S456 PolarHBondContact O-N 3.02Å; S454-S456 VanDerWaalsContact O-N 3.07Å; S456-L458 VanDerWaalsContact C-N 3.3Å; S456-L458 PolarHBondContact O-N 3.23Å; S456-N459 PolarHBondContact O-N 3.28Å; S456-R460 WeakPolarHBondContact O-CB 3.31Å; S456-R460 PolarHBondContact O-N 2.87Å
457A91.6Very high79.5Confident24 Ų2487.2 Ų87.220%0.19847%0.465CS..Hα-helixtrans-61.8-40.2175.900000111.7V453 S454 R460 H461V453-A457 HydrophobicContact CG1-CB 4.24Å; S454-A457 WeakPolarHBondContact O-CB 3.41Å; S454-A457 PolarHBondContact O-N 3.34Å; A457-R460 PolarHBondContact O-N 2.85Å; A457-H461 WeakPolarHBondContact O-CB 3.29Å; A457-H461 PolarHBondContact O-N 3.2Å
458L93.5Very high82.1Confident6 Ų683.5 Ų83.53%0.03145%0.446CS..Hα-helixtrans-71.2-38.9-178.4-16657.6000112.9V453 S454 S456 H461 I462 Q508 L509 I512V453-L458 HydrophobicContact CG1-CB 4.37Å; S454-L458 PolarHBondContact O-N 3.36Å; S456-L458 VanDerWaalsContact C-N 3.3Å; S456-L458 PolarHBondContact O-N 3.23Å; L458-H461 PolarHBondContact O-N 3Å; L458-I462 HydrophobicContact CG-CD1 4.45Å; L458-I462 WeakPolarHBondContact O-CB 3.33Å; L458-I462 WeakPolarHBondContact O-CD1 3.24Å; L458-I462 VanDerWaalsContact O-CG1 3.3Å; L458-I462 WeakPolarHBondContact O-CG1 3.4Å; L458-I462 PolarHBondContact O-N 2.93Å; L458-Q508 HydrophobicContact CD2-CB 3.63Å; L458-L509 HydrophobicContact CD2-CB 3.8Å; L458-L509 HydrophobicContact CD2-CD1 4.5Å; L458-L509 VanDerWaalsContact CD2-N 3.34Å; L458-L509 HydrophobicContact CG-CB 4.21Å; L458-I512 HydrophobicContact CD2-CD1 4.24Å
459N93.8Very high85Confident49 Ų4976.3 Ų76.326%0.26241%0.412SS..Hα-helixtrans-60.4-49.6168.8-81.9-73.6000111V455 S456 H461 I462 H463 L509V455-N459 PolarHBondContact O-N 3.14Å; V455-N459 PolarHBondContact O-ND2 2.89Å; S456-N459 PolarHBondContact O-N 3.28Å; N459-H461 VanDerWaalsContact C-N 3.29Å; N459-H461 PolarHBondContact O-N 2.84Å; N459-I462 WeakPolarHBondContact O-CB 3.28Å; N459-I462 PolarHBondContact O-N 3.21Å; N459-I462 VanDerWaalsContact O-N 3.12Å; N459-H463 PolarHBondContact O-CD2 2.83Å; N459-H463 PolarHBondContact O-N 3.41Å; N459-L509 WeakPolarHBondContact ND2-CD1 3.37Å; N459-L509 VanDerWaalsContact OD1-CD2 3.31Å; N459-L509 WeakPolarHBondContact OD1-CD2 3.19Å
460R95.9Very high87.5Confident157 Ų15773.5 Ų73.559%0.59239%0.393SS*.Hα-helixtrans-55.3-44.7177.6-178.5173.465.5-113.25111.7S456 A457 H463 T464S456-R460 WeakPolarHBondContact O-CB 3.31Å; S456-R460 PolarHBondContact O-N 2.87Å; A457-R460 PolarHBondContact O-N 2.85Å; R460-H463 PolarHBondContact O-N 3.29Å; R460-T464 PolarHBondContact O-N 2.95Å; R460-T464 PolarHBondContact O-OG1 3.5Å
461H96.5Very high90.2Very high65 Ų6574.7 Ų74.730%0.30139%0.388SS..Hα-helixtrans-62.2-46.3175.3178.792.2000112A457 L458 N459 H463 T464 L465 E501 S505A457-H461 WeakPolarHBondContact O-CB 3.29Å; A457-H461 PolarHBondContact O-N 3.2Å; L458-H461 PolarHBondContact O-N 3Å; N459-H461 VanDerWaalsContact C-N 3.29Å; N459-H461 PolarHBondContact O-N 2.84Å; H461-H463 VanDerWaalsContact C-N 3.3Å; H461-H463 PolarHBondContact O-N 3.34Å; H461-T464 WeakPolarHBondContact O-CB 3.49Å; H461-T464 PolarHBondContact O-N 3.09Å; H461-T464 VanDerWaalsContact O-N 3.09Å; H461-L465 WeakPolarHBondContact NE2-CD1 3.3Å; H461-L465 WeakPolarHBondContact O-CG 3.31Å; H461-L465 PolarHBondContact O-N 3.09Å; H461-E501 IonicContact CE1-OE1 3.33Å; H461-E501 PolarHBondContact CE1-OE1 2.78Å; H461-E501 IonicContact NE2-OE1 3.56Å; H461-S505 PolarHBondContact CD2-OG 3.27Å; H461-S505 PolarHBondContact NE2-OG 2.7Å
462I97.4Very high92.4Very high1 Ų172 Ų721%0.00535%0.354CS..Hα-helixtrans-56.6-40.6173.6-74.9162.9000112.2L458 N459 R466 L502 R506 L509L458-I462 HydrophobicContact CG-CD1 4.45Å; L458-I462 WeakPolarHBondContact O-CB 3.33Å; L458-I462 WeakPolarHBondContact O-CD1 3.24Å; L458-I462 VanDerWaalsContact O-CG1 3.3Å; L458-I462 WeakPolarHBondContact O-CG1 3.4Å; L458-I462 PolarHBondContact O-N 2.93Å; N459-I462 WeakPolarHBondContact O-CB 3.28Å; N459-I462 PolarHBondContact O-N 3.21Å; N459-I462 VanDerWaalsContact O-N 3.12Å; I462-R466 WeakPolarHBondContact O-CG 3.22Å; I462-R466 PolarHBondContact O-N 3.2Å; I462-L502 HydrophobicContact CB-CD1 4.38Å; I462-L502 HydrophobicContact CG1-CD1 4.38Å; I462-L502 HydrophobicContact CG2-CD1 3.86Å; I462-R506 HydrophobicContact CD1-CG 4.2Å; I462-L509 HydrophobicContact CD1-CB 4.03Å; I462-L509 HydrophobicContact CD1-CD2 3.56Å; I462-L509 HydrophobicContact CD1-CG 4.41Å
463H97.1Very high94.2Very high111 Ų11169.8 Ų69.851%0.51433%0.333SS..Hα-helixtrans-66.2-41.9175-78.7-81.2000112N459 R460 H461 R466 K467N459-H463 PolarHBondContact O-CD2 2.83Å; N459-H463 PolarHBondContact O-N 3.41Å; R460-H463 PolarHBondContact O-N 3.29Å; H461-H463 VanDerWaalsContact C-N 3.3Å; H461-H463 PolarHBondContact O-N 3.34Å; H463-R466 PolarHBondContact O-N 3.15Å; H463-K467 PolarHBondContact O-N 3.15Å
464T97.5Very high95.2Very high68 Ų6869.9 Ų69.942%0.41733%0.329SS..Hα-helixtrans-60.5-45.2174.3-63.10000112.1R460 H461 K467 K468R460-T464 PolarHBondContact O-N 2.95Å; R460-T464 PolarHBondContact O-OG1 3.5Å; H461-T464 WeakPolarHBondContact O-CB 3.49Å; H461-T464 PolarHBondContact O-N 3.09Å; H461-T464 VanDerWaalsContact O-N 3.09Å; T464-K467 WeakPolarHBondContact O-CB 3.21Å; T464-K467 PolarHBondContact O-N 2.84Å; T464-K467 VanDerWaalsContact O-N 3.08Å; T464-K468 PolarHBondContact O-N 2.97Å
465L97.7Very high95.5Very high4 Ų471.7 Ų71.72%0.02133%0.329CS..Hα-helixtrans-61.5-46.3176.5-65.9179.8000111.9H461 K467 K468 I469 L498 E501 L502H461-L465 WeakPolarHBondContact NE2-CD1 3.3Å; H461-L465 WeakPolarHBondContact O-CG 3.31Å; H461-L465 PolarHBondContact O-N 3.09Å; L465-K467 PolarHBondContact O-N 3.01Å; L465-K468 PolarHBondContact O-N 3.49Å; L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 2.99Å; L465-L498 HydrophobicContact CD2-CD2 3.46Å; L465-L498 VanDerWaalsContact CD2-CD2 3.46Å; L465-E501 HydrophobicContact CD1-CB 4Å; L465-E501 HydrophobicContact CD1-CG 3.94Å; L465-E501 HydrophobicContact CD2-CB 4.39Å; L465-E501 HydrophobicContact CD2-CG 4.33Å; L465-E501 WeakPolarHBondContact CD2-OE2 3.45Å; L465-L502 HydrophobicContact CB-CB 4.26Å; L465-L502 HydrophobicContact CB-CD1 4.28Å; L465-L502 VanDerWaalsContact CD1-CA 3.48Å; L465-L502 HydrophobicContact CD1-CB 3.91Å; L465-L502 HydrophobicContact CD1-CD1 4.47Å
466R97.2Very high95.9Very high94 Ų9471.3 Ų71.336%0.35533%0.325SS..Hα-helixtrans-62.4-25.5173.6-68-175.9-146.7-168.810.7113.1I462 H463 R470 L502I462-R466 WeakPolarHBondContact O-CG 3.22Å; I462-R466 PolarHBondContact O-N 3.2Å; H463-R466 PolarHBondContact O-N 3.15Å; R466-R470 WeakPolarHBondContact O-CB 3.47Å; R466-R470 PolarHBondContact O-N 3.01Å; R466-R470 PolarHBondContact O-NE 3.27Å; R466-L502 HydrophobicContact CG-CD1 4.03Å; R466-L502 HydrophobicContact CG-CD2 4.06Å
467K98Very high96.2Very high136 Ų13670.7 Ų70.759%0.59131%0.313SS*.Hα-helixtrans-78.2-42.7174.3-168.9175.2-178.1178.60111.2H463 T464 L465 R470 R471H463-K467 PolarHBondContact O-N 3.15Å; T464-K467 WeakPolarHBondContact O-CB 3.21Å; T464-K467 PolarHBondContact O-N 2.84Å; T464-K467 VanDerWaalsContact O-N 3.08Å; L465-K467 PolarHBondContact O-N 3.01Å; K467-R470 PolarHBondContact O-N 3.23Å; K467-R471 PolarHBondContact O-N 3.27Å
468K97.1Very high96.4Very high122 Ų12275 Ų7553%0.5333%0.329SS..Hα-helixtrans-62.1-46175.1-71.9-172.8173-171.80112.3T464 L465 R470 R471 F472 L498T464-K468 PolarHBondContact O-N 2.97Å; L465-K468 PolarHBondContact O-N 3.49Å; K468-R470 VanDerWaalsContact C-N 3.35Å; K468-R470 PolarHBondContact O-N 3.02Å; K468-R471 PolarHBondContact O-N 2.93Å; K468-F472 PolarHBondContact O-N 3.46Å; K468-L498 HydrophobicContact CB-CD1 3.71Å; K468-L498 HydrophobicContact CB-CD2 4.18Å; K468-L498 HydrophobicContact CD-CD1 4.28Å; K468-L498 HydrophobicContact CD-CD2 3.67Å
469I96.8Very high96.4Very high13 Ų1380 Ų807%0.06735%0.352CS..Hα-helixtrans-60.2-45.3176.2-66163.2000110.3L465 R471 F472 E473 L498 M499 L502L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 2.99Å; I469-R471 PolarHBondContact O-N 2.96Å; I469-F472 WeakPolarHBondContact O-CB 3.27Å; I469-F472 PolarHBondContact O-N 3.24Å; I469-F472 VanDerWaalsContact O-N 3.1Å; I469-E473 HydrophobicContact CG2-CG 4.36Å; I469-E473 WeakPolarHBondContact O-CG 3.43Å; I469-E473 PolarHBondContact O-N 3.2Å; I469-L498 HydrophobicContact CD1-CB 4.19Å; I469-L498 HydrophobicContact CG1-CB 3.85Å; I469-L498 HydrophobicContact CG1-CD1 4.48Å; I469-M499 HydrophobicContact CD1-CG 3.91Å; I469-M499 HydrophobicContact CG1-CG 4.44Å; I469-L502 HydrophobicContact CD1-CB 4.48Å; I469-L502 HydrophobicContact CD1-CD2 3.79Å
470R96.9Very high96.3Very high138 Ų13884.9 Ų84.952%0.52137%0.367SS..Hα-helixtrans-65.3-32.1177-85.1176.2-66.2-175.38.9114.3R466 K467 K468 F472 E473 E474R466-R470 WeakPolarHBondContact O-CB 3.47Å; R466-R470 PolarHBondContact O-N 3.01Å; R466-R470 PolarHBondContact O-NE 3.27Å; K467-R470 PolarHBondContact O-N 3.23Å; K468-R470 VanDerWaalsContact C-N 3.35Å; K468-R470 PolarHBondContact O-N 3.02Å; R470-F472 VanDerWaalsContact C-N 3.29Å; R470-F472 PolarHBondContact O-N 3.21Å; R470-E473 WeakPolarHBondContact CG-OE2 3.41Å; R470-E473 PolarHBondContact O-N 2.94Å; R470-E474 WeakPolarHBondContact O-CB 3.36Å; R470-E474 PolarHBondContact O-N 3.43Å
471R96.4Very high96Very high149 Ų14985.3 Ų85.356%0.56238%0.375SS*.Hα-helixtrans-63.7-33.8171.3-77.3-48-150.3-164.811.4112.6K467 K468 I469 E474 H475K467-R471 PolarHBondContact O-N 3.27Å; K468-R471 PolarHBondContact O-N 2.93Å; I469-R471 PolarHBondContact O-N 2.96Å; R471-E474 WeakPolarHBondContact CD-OE2 3.47Å; R471-E474 IonicContact CZ-OE2 3.53Å; R471-E474 IonicContact NE-OE2 3.66Å; R471-E474 IonicContact NH1-OE1 2.87Å; R471-E474 PolarHBondContact NH1-OE1 3.41Å; R471-E474 IonicContact NH1-OE2 2.7Å; R471-E474 PolarHBondContact NH1-OE2 3.04Å; R471-H475 VanDerWaalsContact O-CB 3.31Å; R471-H475 WeakPolarHBondContact O-CB 3.4Å; R471-H475 PolarHBondContact O-N 2.99Å
472F96.7Very high95.9Very high26 Ų2687.9 Ų87.911%0.11438%0.383CS..Hα-helixtrans-71.7-43.4170.4169.6-100.1000112K468 I469 R470 E474 H475 F476 P484 K489 H492 V495K468-F472 PolarHBondContact O-N 3.46Å; I469-F472 WeakPolarHBondContact O-CB 3.27Å; I469-F472 PolarHBondContact O-N 3.24Å; I469-F472 VanDerWaalsContact O-N 3.1Å; R470-F472 VanDerWaalsContact C-N 3.29Å; R470-F472 PolarHBondContact O-N 3.21Å; F472-E474 VanDerWaalsContact C-N 3.26Å; F472-E474 PolarHBondContact O-N 2.88Å; F472-H475 PolarHBondContact O-N 3.14Å; F472-F476 HydrophobicContact CE1-CB 4.46Å; F472-F476 HydrophobicContact CE1-CD2 4.38Å; F472-F476 HydrophobicContact CE2-CB 4.18Å; F472-F476 HydrophobicContact CE2-CD2 4.05Å; F472-F476 HydrophobicContact CZ-CB 4.12Å; F472-F476 AromaticContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CE2 4.38Å; F472-F476 HydrophobicContact CZ-CG 4.19Å; F472-F476 VanDerWaalsContact O-CB 3.28Å; F472-F476 WeakPolarHBondContact O-CB 3.47Å; F472-F476 PolarHBondContact O-N 3.22Å; F472-P484 HydrophobicContact CE1-CB 4.44Å; F472-K489 HydrophobicContact CD1-CG 4.26Å; F472-K489 HydrophobicContact CE1-CB 4.47Å; F472-K489 HydrophobicContact CE1-CG 3.88Å; F472-H492 AromaticContact CD2-CD2 3.86Å; F472-H492 HydrophobicContact CE2-CB 4.08Å; F472-H492 AromaticContact CE2-CD2 3.37Å; F472-H492 WeakPolarHBondContact CE2-CD2 3.41Å; F472-H492 AromaticContact CE2-CG 3.94Å; F472-H492 HydrophobicContact CZ-CB 4.03Å; F472-V495 HydrophobicContact CB-CG2 3.78Å; F472-V495 HydrophobicContact CD1-CB 4.22Å; F472-V495 HydrophobicContact CD1-CG1 3.77Å; F472-V495 HydrophobicContact CD1-CG2 3.52Å; F472-V495 HydrophobicContact CD2-CG2 3.65Å; F472-V495 HydrophobicContact CE1-CG1 4.2Å; F472-V495 HydrophobicContact CE1-CG2 3.96Å; F472-V495 HydrophobicContact CE2-CG2 4.11Å; F472-V495 HydrophobicContact CG-CB 4.46Å; F472-V495 HydrophobicContact CG-CG1 4.34Å; F472-V495 HydrophobicContact CG-CG2 3.32Å; F472-V495 HydrophobicContact CZ-CG2 4.23Å
473E96.1Very high95.7Very high45 Ų4594.5 Ų94.521%0.2141%0.412CS..Hα-helixtrans-57.4-42.8177.5-66.6175.7141.600111.6I469 R470 E477 P484 K489I469-E473 HydrophobicContact CG2-CG 4.36Å; I469-E473 WeakPolarHBondContact O-CG 3.43Å; I469-E473 PolarHBondContact O-N 3.2Å; R470-E473 WeakPolarHBondContact CG-OE2 3.41Å; R470-E473 PolarHBondContact O-N 2.94Å; E473-E477 VanDerWaalsContact O-CB 3.24Å; E473-E477 WeakPolarHBondContact O-CB 3.45Å; E473-E477 PolarHBondContact O-N 3.43Å; E473-E477 VanDerWaalsContact O-N 3.15Å; E473-P484 HydrophobicContact CB-CG 4.2Å; E473-P484 HydrophobicContact CG-CG 4.24Å; E473-K489 HydrophobicContact CG-CD 4.29Å; E473-K489 VanDerWaalsContact OE1-CE 3.31Å; E473-K489 WeakPolarHBondContact OE1-CE 3.47Å; E473-K489 IonicContact OE1-NZ 3.45Å; E473-K489 PolarHBondContact OE1-NZ 3.04Å
474E96.6Very high95.5Very high80 Ų8089.4 Ų89.437%0.37439%0.389SS..Hα-helixtrans-60.5-60.6172.4-174.6175.4-157.600111.1R470 R471 F472 F476 E477 Q478R470-E474 WeakPolarHBondContact O-CB 3.36Å; R470-E474 PolarHBondContact O-N 3.43Å; R471-E474 WeakPolarHBondContact CD-OE2 3.47Å; R471-E474 IonicContact CZ-OE2 3.53Å; R471-E474 IonicContact NE-OE2 3.66Å; R471-E474 IonicContact NH1-OE1 2.87Å; R471-E474 PolarHBondContact NH1-OE1 3.41Å; R471-E474 IonicContact NH1-OE2 2.7Å; R471-E474 PolarHBondContact NH1-OE2 3.04Å; F472-E474 VanDerWaalsContact C-N 3.26Å; F472-E474 PolarHBondContact O-N 2.88Å; E474-F476 PolarHBondContact O-N 3.37Å; E474-E477 PolarHBondContact O-N 3.46Å; E474-Q478 VanDerWaalsContact C-OE1 3.31Å; E474-Q478 PolarHBondContact O-N 2.91Å; E474-Q478 PolarHBondContact O-NE2 3.32Å; E474-Q478 PolarHBondContact O-OE1 3.35Å
475H95.3Very high95.3Very high107 Ų10788.9 Ų88.950%0.49539%0.391SS..Hα-helixtrans-54.9-46.4-178.1-167-82.5000113.1R471 F472 E477 Q478 E479R471-H475 VanDerWaalsContact O-CB 3.31Å; R471-H475 WeakPolarHBondContact O-CB 3.4Å; R471-H475 PolarHBondContact O-N 2.99Å; F472-H475 PolarHBondContact O-N 3.14Å; H475-E477 PolarHBondContact O-N 2.84Å; H475-Q478 WeakPolarHBondContact O-CB 3.17Å; H475-Q478 PolarHBondContact O-N 2.99Å; H475-E479 IonicContact CE1-OE1 2.72Å; H475-E479 PolarHBondContact CE1-OE1 3.35Å; H475-E479 IonicContact CE1-OE2 2.73Å; H475-E479 PolarHBondContact CE1-OE2 3.12Å; H475-E479 VanDerWaalsContact CE1-OE2 3.31Å; H475-E479 IonicContact CG-OE2 3.2Å; H475-E479 IonicContact ND1-OE1 3.52Å; H475-E479 IonicContact ND1-OE2 3.23Å; H475-E479 PolarHBondContact ND1-OE2 3.08Å; H475-E479 WeakPolarHBondContact O-CG 3.49Å; H475-E479 PolarHBondContact O-N 3.04Å
476F96.6Very high95Very high18 Ų1895 Ų958%0.07942%0.42CS..Hα-helixtrans-63.9-39.7178-176.5-72.9000111.6F472 E474 Q478 E479 R480 Y482 P484 D488F472-F476 HydrophobicContact CE1-CB 4.46Å; F472-F476 HydrophobicContact CE1-CD2 4.38Å; F472-F476 HydrophobicContact CE2-CB 4.18Å; F472-F476 HydrophobicContact CE2-CD2 4.05Å; F472-F476 HydrophobicContact CZ-CB 4.12Å; F472-F476 AromaticContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CD2 3.59Å; F472-F476 HydrophobicContact CZ-CE2 4.38Å; F472-F476 HydrophobicContact CZ-CG 4.19Å; F472-F476 VanDerWaalsContact O-CB 3.28Å; F472-F476 WeakPolarHBondContact O-CB 3.47Å; F472-F476 PolarHBondContact O-N 3.22Å; E474-F476 PolarHBondContact O-N 3.37Å; F476-Q478 VanDerWaalsContact C-N 3.27Å; F476-Q478 PolarHBondContact O-N 3.03Å; F476-E479 PolarHBondContact O-N 3.46Å; F476-R480 HydrophobicContact CD1-CB 3.97Å; F476-R480 HydrophobicContact CD1-CG 3.85Å; F476-R480 HydrophobicContact CD2-CG 4.24Å; F476-R480 HydrophobicContact CE1-CB 3.76Å; F476-R480 HydrophobicContact CE1-CG 3.65Å; F476-R480 HydrophobicContact CE2-CG 4.06Å; F476-R480 HydrophobicContact CG-CG 4.16Å; F476-R480 HydrophobicContact CZ-CB 4.34Å; F476-R480 HydrophobicContact CZ-CG 3.78Å; F476-R480 VanDerWaalsContact O-CB 3.3Å; F476-R480 WeakPolarHBondContact O-CB 3.37Å; F476-R480 PolarHBondContact O-N 2.9Å; F476-Y482 HydrophobicContact CE1-CD2 4.02Å; F476-Y482 AromaticContact CE1-CE2 3.5Å; F476-Y482 HydrophobicContact CE1-CE2 3.5Å; F476-Y482 VanDerWaalsContact CE1-CE2 3.5Å; F476-Y482 AromaticContact CE1-CZ 3.78Å; F476-Y482 AromaticContact CZ-CE2 3.87Å; F476-Y482 HydrophobicContact CZ-CE2 3.87Å; F476-Y482 AromaticContact CZ-CZ 3.9Å; F476-P484 HydrophobicContact CB-CB 4.45Å; F476-P484 HydrophobicContact CB-CG 4.02Å; F476-P484 HydrophobicContact CD1-CB 3.54Å; F476-P484 HydrophobicContact CD1-CG 3.72Å; F476-P484 HydrophobicContact CD2-CB 4.34Å; F476-P484 HydrophobicContact CE1-CB 3.69Å; F476-P484 HydrophobicContact CE1-CG 4.35Å; F476-P484 HydrophobicContact CE2-CB 4.47Å; F476-P484 HydrophobicContact CG-CB 3.88Å; F476-P484 HydrophobicContact CG-CG 3.96Å; F476-P484 HydrophobicContact CZ-CB 4.16Å; F476-D488 HydrophobicContact CE1-CB 4.44Å; F476-D488 HydrophobicContact CE2-CB 3.76Å; F476-D488 HydrophobicContact CZ-CB 3.66Å
477E95.7Very high94.9Very high71 Ų7196 Ų9633%0.33243%0.432SS..Hα-helixtrans-67.7-28177.2-168.7162.6-166.900111.4E473 E474 H475 H481 K483E473-E477 VanDerWaalsContact O-CB 3.24Å; E473-E477 WeakPolarHBondContact O-CB 3.45Å; E473-E477 PolarHBondContact O-N 3.43Å; E473-E477 VanDerWaalsContact O-N 3.15Å; E474-E477 PolarHBondContact O-N 3.46Å; H475-E477 PolarHBondContact O-N 2.84Å; E477-H481 VanDerWaalsContact O-CA 3.31Å; E477-H481 WeakPolarHBondContact O-CA 3.34Å; E477-H481 PolarHBondContact O-N 3.45Å; E477-H481 VanDerWaalsContact O-N 3.15Å; E477-K483 IonicContact OE2-NZ 3.99Å
478Q96.1Very high94.6Very high116 Ų11691 Ų9154%0.54241%0.411SS..Hα-helixtrans-71.2-43.7166-8085.883.300113.3E474 H475 F476 H481E474-Q478 VanDerWaalsContact C-OE1 3.31Å; E474-Q478 PolarHBondContact O-N 2.91Å; E474-Q478 PolarHBondContact O-NE2 3.32Å; E474-Q478 PolarHBondContact O-OE1 3.35Å; H475-Q478 WeakPolarHBondContact O-CB 3.17Å; H475-Q478 PolarHBondContact O-N 2.99Å; F476-Q478 VanDerWaalsContact C-N 3.27Å; F476-Q478 PolarHBondContact O-N 3.03Å; Q478-H481 PolarHBondContact O-CE1 2.95Å; Q478-H481 PolarHBondContact O-ND1 3.12Å
479E94.1Very high94.4Very high110 Ų11086.5 Ų86.551%0.51439%0.392SS..Hα-helixtrans-76.1-27.1-176.5-72.6177.8120.600114.8H475 F476H475-E479 IonicContact CE1-OE1 2.72Å; H475-E479 PolarHBondContact CE1-OE1 3.35Å; H475-E479 IonicContact CE1-OE2 2.73Å; H475-E479 PolarHBondContact CE1-OE2 3.12Å; H475-E479 VanDerWaalsContact CE1-OE2 3.31Å; H475-E479 IonicContact CG-OE2 3.2Å; H475-E479 IonicContact ND1-OE1 3.52Å; H475-E479 IonicContact ND1-OE2 3.23Å; H475-E479 PolarHBondContact ND1-OE2 3.08Å; H475-E479 WeakPolarHBondContact O-CG 3.49Å; H475-E479 PolarHBondContact O-N 3.04Å; F476-E479 PolarHBondContact O-N 3.46Å
480R90.6Very high94.2Very high151 Ų15188.9 Ų88.957%0.5741%0.407SS*.Hα-helixtrans-117-11.2-172.1-59-55.1-168.8-157.43114F476 Y482F476-R480 HydrophobicContact CD1-CB 3.97Å; F476-R480 HydrophobicContact CD1-CG 3.85Å; F476-R480 HydrophobicContact CD2-CG 4.24Å; F476-R480 HydrophobicContact CE1-CB 3.76Å; F476-R480 HydrophobicContact CE1-CG 3.65Å; F476-R480 HydrophobicContact CE2-CG 4.06Å; F476-R480 HydrophobicContact CG-CG 4.16Å; F476-R480 HydrophobicContact CZ-CB 4.34Å; F476-R480 HydrophobicContact CZ-CG 3.78Å; F476-R480 VanDerWaalsContact O-CB 3.3Å; F476-R480 WeakPolarHBondContact O-CB 3.37Å; F476-R480 PolarHBondContact O-N 2.9Å; R480-Y482 HydrophobicContact CB-CD1 3.9Å; R480-Y482 HydrophobicContact CB-CE1 3.68Å; R480-Y482 HydrophobicContact CG-CE1 4.45Å; R480-Y482 VanDerWaalsContact O-CD1 3.22Å; R480-Y482 WeakPolarHBondContact O-CD1 3.24Å; R480-Y482 PolarHBondContact O-N 2.88Å; R480-Y482 VanDerWaalsContact O-N 3.09Å
481H90.2Very high93.9Very high166 Ų16686.1 Ų86.177%0.76941%0.409SS*.SBendtrans56.819-176.5-51.1-41.9000114.8E477 Q478E477-H481 VanDerWaalsContact O-CA 3.31Å; E477-H481 WeakPolarHBondContact O-CA 3.34Å; E477-H481 PolarHBondContact O-N 3.45Å; E477-H481 VanDerWaalsContact O-N 3.15Å; Q478-H481 PolarHBondContact O-CE1 2.95Å; Q478-H481 PolarHBondContact O-ND1 3.12Å
482Y93.9Very high93.8Very high120 Ų12082.7 Ų82.747%0.47140%0.4SS..SBendtrans-138.8151.5165.467-93.5000110.5F476 R480F476-Y482 HydrophobicContact CE1-CD2 4.02Å; F476-Y482 AromaticContact CE1-CE2 3.5Å; F476-Y482 HydrophobicContact CE1-CE2 3.5Å; F476-Y482 VanDerWaalsContact CE1-CE2 3.5Å; F476-Y482 AromaticContact CE1-CZ 3.78Å; F476-Y482 AromaticContact CZ-CE2 3.87Å; F476-Y482 HydrophobicContact CZ-CE2 3.87Å; F476-Y482 AromaticContact CZ-CZ 3.9Å; R480-Y482 HydrophobicContact CB-CD1 3.9Å; R480-Y482 HydrophobicContact CB-CE1 3.68Å; R480-Y482 HydrophobicContact CG-CE1 4.45Å; R480-Y482 VanDerWaalsContact O-CD1 3.22Å; R480-Y482 WeakPolarHBondContact O-CD1 3.24Å; R480-Y482 PolarHBondContact O-N 2.88Å; R480-Y482 VanDerWaalsContact O-N 3.09Å
483K93.3Very high93.7Very high139 Ų13984.8 Ų84.860%0.60442%0.415SS*.  trans-70126-179.9-167.5174.2-152.81140110.5E477 A485E477-K483 IonicContact OE2-NZ 3.99Å; K483-A485 PolarHBondContact O-N 3.26Å
484P93.3Very high93.6Very high4 Ų486.7 Ų86.73%0.02642%0.424CS..  trans-61.6135.1-176.718.5-26.6000111.8F472 E473 F476 D488 K489F472-P484 HydrophobicContact CE1-CB 4.44Å; E473-P484 HydrophobicContact CB-CG 4.2Å; E473-P484 HydrophobicContact CG-CG 4.24Å; F476-P484 HydrophobicContact CB-CB 4.45Å; F476-P484 HydrophobicContact CB-CG 4.02Å; F476-P484 HydrophobicContact CD1-CB 3.54Å; F476-P484 HydrophobicContact CD1-CG 3.72Å; F476-P484 HydrophobicContact CD2-CB 4.34Å; F476-P484 HydrophobicContact CE1-CB 3.69Å; F476-P484 HydrophobicContact CE1-CG 4.35Å; F476-P484 HydrophobicContact CE2-CB 4.47Å; F476-P484 HydrophobicContact CG-CB 3.88Å; F476-P484 HydrophobicContact CG-CG 3.96Å; F476-P484 HydrophobicContact CZ-CB 4.16Å; P484-D488 HydrophobicContact CB-CB 3.74Å; P484-K489 HydrophobicContact CB-CG 4.3Å; P484-K489 WeakPolarHBondContact O-CE 2.92Å; P484-K489 PolarHBondContact O-NZ 3.42Å
485A92.1Very high93.6Very high57 Ų5783 Ų8347%0.47141%0.408SS..  trans-78.2-170.3173.900000111.1K483 D488 K489K483-A485 PolarHBondContact O-N 3.26Å; A485-D488 WeakPolarHBondContact CA-OD2 3.48Å; A485-D488 WeakPolarHBondContact CB-OD2 3.35Å; A485-D488 PolarHBondContact N-OD2 2.85Å; A485-K489 WeakPolarHBondContact O-CD 3.24Å; A485-K489 VanDerWaalsContact O-CE 3.24Å; A485-K489 WeakPolarHBondContact O-CE 3.41Å; A485-K489 WeakPolarHBondContact O-CG 3.27Å
486H92.4Very high93.7Very high134 Ų13478.6 Ų78.662%0.6239%0.39SS*.Hα-helixtrans-66.5-41.4175.2-171.871.7000111.9D488 K489 T490H486-D488 PolarHBondContact O-N 2.84Å; H486-K489 PolarHBondContact O-N 3.39Å; H486-T490 PolarHBondContact O-N 3.4Å; H486-T490 PolarHBondContact O-OG1 2.75Å
487N94.3Very high93.7Very high115 Ų11583.6 Ų83.662%0.61541%0.411SS*.Hα-helixtrans-60.5-48.9-177.7-165.6-72.8000111.2K489 T490 S491N487-K489 PolarHBondContact O-N 3.48Å; N487-T490 WeakPolarHBondContact CA-OG1 3.39Å; N487-T490 CarbonylContact O-C 3.53Å; N487-T490 WeakPolarHBondContact O-CA 3.42Å; N487-T490 PolarHBondContact O-N 3.08Å; N487-T490 PolarHBondContact O-OG1 3.21Å; N487-S491 PolarHBondContact O-N 3.32Å; N487-S491 PolarHBondContact O-OG 3.2Å
488D92.6Very high93.8Very high29 Ų2981.4 Ų81.416%0.15540%0.402CS..Hα-helixtrans-58.1-33.4-179.8-49.7-51.3000113.7F476 P484 A485 H486 T490 S491F476-D488 HydrophobicContact CE1-CB 4.44Å; F476-D488 HydrophobicContact CE2-CB 3.76Å; F476-D488 HydrophobicContact CZ-CB 3.66Å; P484-D488 HydrophobicContact CB-CB 3.74Å; A485-D488 WeakPolarHBondContact CA-OD2 3.48Å; A485-D488 WeakPolarHBondContact CB-OD2 3.35Å; A485-D488 PolarHBondContact N-OD2 2.85Å; H486-D488 PolarHBondContact O-N 2.84Å; D488-T490 VanDerWaalsContact C-N 3.32Å; D488-S491 WeakPolarHBondContact CA-OG 3.33Å; D488-S491 PolarHBondContact O-OG 3.08Å; D488-S491 VanDerWaalsContact O-OG 3.08Å
489K93.1Very high93.9Very high29 Ų2977.8 Ų77.813%0.12639%0.385CS..Hα-helixtrans-79.2-16.5176-64.5166.8-155.6-178.20112.8F472 E473 P484 A485 H486 N487 V495 A496 M499F472-K489 HydrophobicContact CD1-CG 4.26Å; F472-K489 HydrophobicContact CE1-CB 4.47Å; F472-K489 HydrophobicContact CE1-CG 3.88Å; E473-K489 HydrophobicContact CG-CD 4.29Å; E473-K489 VanDerWaalsContact OE1-CE 3.31Å; E473-K489 WeakPolarHBondContact OE1-CE 3.47Å; E473-K489 IonicContact OE1-NZ 3.45Å; E473-K489 PolarHBondContact OE1-NZ 3.04Å; P484-K489 HydrophobicContact CB-CG 4.3Å; P484-K489 WeakPolarHBondContact O-CE 2.92Å; P484-K489 PolarHBondContact O-NZ 3.42Å; A485-K489 WeakPolarHBondContact O-CD 3.24Å; A485-K489 VanDerWaalsContact O-CE 3.24Å; A485-K489 WeakPolarHBondContact O-CE 3.41Å; A485-K489 WeakPolarHBondContact O-CG 3.27Å; H486-K489 PolarHBondContact O-N 3.39Å; N487-K489 PolarHBondContact O-N 3.48Å; K489-V495 HydrophobicContact CB-CG1 3.87Å; K489-V495 HydrophobicContact CG-CG1 4.31Å; K489-V495 CarbonylContact O-C 3.32Å; K489-V495 WeakPolarHBondContact O-CB 3.47Å; K489-V495 VanDerWaalsContact O-CG1 3.29Å; K489-V495 WeakPolarHBondContact O-CG1 3.29Å; K489-A496 PolarHBondContact O-N 3.06Å; K489-M499 HydrophobicContact CB-SD 3.7Å
490T92.1Very high94Very high62 Ų6279.5 Ų79.538%0.3839%0.391SS..Hα-helixtrans-100.3-22.1176.757.50000113.8H486 N487 D488H486-T490 PolarHBondContact O-N 3.4Å; H486-T490 PolarHBondContact O-OG1 2.75Å; N487-T490 WeakPolarHBondContact CA-OG1 3.39Å; N487-T490 CarbonylContact O-C 3.53Å; N487-T490 WeakPolarHBondContact O-CA 3.42Å; N487-T490 PolarHBondContact O-N 3.08Å; N487-T490 PolarHBondContact O-OG1 3.21Å; D488-T490 VanDerWaalsContact C-N 3.32Å
491S91.3Very high94.3Very high81 Ų8175.2 Ų75.257%0.56638%0.377SS*.Hα-helixtrans-73.6-35.5173.2600000111.9N487 D488 P493N487-S491 PolarHBondContact O-N 3.32Å; N487-S491 PolarHBondContact O-OG 3.2Å; D488-S491 WeakPolarHBondContact CA-OG 3.33Å; D488-S491 PolarHBondContact O-OG 3.08Å; D488-S491 VanDerWaalsContact O-OG 3.08Å; S491-P493 WeakPolarHBondContact O-CD 3.49Å
492H93.9Very high94.7Very high77 Ų7768 Ų6836%0.35634%0.344SS..SBendtrans-75.1117171.3-162.7-48.2000111F472 E494 V495 A496F472-H492 AromaticContact CD2-CD2 3.86Å; F472-H492 HydrophobicContact CE2-CB 4.08Å; F472-H492 AromaticContact CE2-CD2 3.37Å; F472-H492 WeakPolarHBondContact CE2-CD2 3.41Å; F472-H492 AromaticContact CE2-CG 3.94Å; F472-H492 HydrophobicContact CZ-CB 4.03Å; H492-E494 IonicContact CE1-OE2 2.91Å; H492-E494 PolarHBondContact CE1-OE2 3.27Å; H492-E494 IonicContact ND1-OE2 3.37Å; H492-E494 PolarHBondContact ND1-OE2 3.03Å; H492-E494 PolarHBondContact O-N 2.98Å; H492-V495 HydrophobicContact CB-CB 4.18Å; H492-V495 HydrophobicContact CB-CG2 3.82Å; H492-V495 PolarHBondContact O-N 2.73Å; H492-A496 PolarHBondContact O-N 2.88Å
493P93.4Very high94.8Very high69 Ų6966.7 Ų66.745%0.44835%0.345SS..Hα-helixtrans-68.8-33.9-166.519.6-26.4000113.8S491 A496 K497S491-P493 WeakPolarHBondContact O-CD 3.49Å; P493-A496 PolarHBondContact O-N 3.07Å; P493-K497 WeakPolarHBondContact O-CD 3.34Å; P493-K497 WeakPolarHBondContact O-CG 3.48Å; P493-K497 PolarHBondContact O-N 3.35Å
494E94.1Very high95Very high85 Ų8567.7 Ų67.740%0.39735%0.345SS..Hα-helixtrans-64-42.8175.2-72.952.1-112.200111.1H492 K497 L498H492-E494 IonicContact CE1-OE2 2.91Å; H492-E494 PolarHBondContact CE1-OE2 3.27Å; H492-E494 IonicContact ND1-OE2 3.37Å; H492-E494 PolarHBondContact ND1-OE2 3.03Å; H492-E494 PolarHBondContact O-N 2.98Å; E494-K497 WeakPolarHBondContact O-CB 3.45Å; E494-K497 PolarHBondContact O-N 2.86Å; E494-K497 IonicContact OE1-NZ 3.21Å; E494-K497 PolarHBondContact OE1-NZ 3.47Å; E494-L498 WeakPolarHBondContact O-CG 3.19Å; E494-L498 PolarHBondContact O-N 2.88Å
495V97.1Very high95.2Very high4 Ų467.7 Ų67.72%0.02435%0.345CS..Hα-helixtrans-69.4-41.9-179.7-171.60000109.9F472 K489 H492 K497 L498 M499F472-V495 HydrophobicContact CB-CG2 3.78Å; F472-V495 HydrophobicContact CD1-CB 4.22Å; F472-V495 HydrophobicContact CD1-CG1 3.77Å; F472-V495 HydrophobicContact CD1-CG2 3.52Å; F472-V495 HydrophobicContact CD2-CG2 3.65Å; F472-V495 HydrophobicContact CE1-CG1 4.2Å; F472-V495 HydrophobicContact CE1-CG2 3.96Å; F472-V495 HydrophobicContact CE2-CG2 4.11Å; F472-V495 HydrophobicContact CG-CB 4.46Å; F472-V495 HydrophobicContact CG-CG1 4.34Å; F472-V495 HydrophobicContact CG-CG2 3.32Å; F472-V495 HydrophobicContact CZ-CG2 4.23Å; K489-V495 HydrophobicContact CB-CG1 3.87Å; K489-V495 HydrophobicContact CG-CG1 4.31Å; K489-V495 CarbonylContact O-C 3.32Å; K489-V495 WeakPolarHBondContact O-CB 3.47Å; K489-V495 VanDerWaalsContact O-CG1 3.29Å; K489-V495 WeakPolarHBondContact O-CG1 3.29Å; H492-V495 HydrophobicContact CB-CB 4.18Å; H492-V495 HydrophobicContact CB-CG2 3.82Å; H492-V495 PolarHBondContact O-N 2.73Å; V495-K497 VanDerWaalsContact C-N 3.33Å; V495-K497 PolarHBondContact O-N 2.88Å; V495-L498 PolarHBondContact O-N 3.33Å; V495-M499 HydrophobicContact CG1-SD 4.38Å; V495-M499 WeakPolarHBondContact O-CB 3.12Å; V495-M499 WeakPolarHBondContact O-CG 3.38Å; V495-M499 PolarHBondContact O-N 3.25Å
496A96.7Very high95.3Very high14 Ų1470.2 Ų70.212%0.11634%0.342CS..Hα-helixtrans-59.5-40.2172.300000112.5K489 H492 P493 K500K489-A496 PolarHBondContact O-N 3.06Å; H492-A496 PolarHBondContact O-N 2.88Å; P493-A496 PolarHBondContact O-N 3.07Å; A496-K500 VanDerWaalsContact O-CG 3.27Å; A496-K500 WeakPolarHBondContact O-CG 3.38Å; A496-K500 PolarHBondContact O-N 2.83Å; A496-K500 VanDerWaalsContact O-N 3.12Å
497K97.5Very high95.5Very high123 Ų12370.8 Ų70.854%0.53534%0.343SS..Hα-helixtrans-62.5-51172.5-69.3160.3-162.4163.70110.7P493 E494 V495 M499 K500 E501P493-K497 WeakPolarHBondContact O-CD 3.34Å; P493-K497 WeakPolarHBondContact O-CG 3.48Å; P493-K497 PolarHBondContact O-N 3.35Å; E494-K497 WeakPolarHBondContact O-CB 3.45Å; E494-K497 PolarHBondContact O-N 2.86Å; E494-K497 IonicContact OE1-NZ 3.21Å; E494-K497 PolarHBondContact OE1-NZ 3.47Å; V495-K497 VanDerWaalsContact C-N 3.33Å; V495-K497 PolarHBondContact O-N 2.88Å; K497-M499 VanDerWaalsContact C-N 3.32Å; K497-M499 PolarHBondContact O-N 2.88Å; K497-K500 PolarHBondContact O-N 2.96Å; K497-E501 WeakPolarHBondContact O-CB 3.45Å; K497-E501 PolarHBondContact O-N 3.41Å
498L97.6Very high95.6Very high24 Ų2469.4 Ų69.413%0.12633%0.332CS..Hα-helixtrans-60.5-37.2179.7-69.1166.4000112.8L465 K468 I469 E494 V495 L502L465-L498 HydrophobicContact CD2-CD2 3.46Å; L465-L498 VanDerWaalsContact CD2-CD2 3.46Å; K468-L498 HydrophobicContact CB-CD1 3.71Å; K468-L498 HydrophobicContact CB-CD2 4.18Å; K468-L498 HydrophobicContact CD-CD1 4.28Å; K468-L498 HydrophobicContact CD-CD2 3.67Å; I469-L498 HydrophobicContact CD1-CB 4.19Å; I469-L498 HydrophobicContact CG1-CB 3.85Å; I469-L498 HydrophobicContact CG1-CD1 4.48Å; E494-L498 WeakPolarHBondContact O-CG 3.19Å; E494-L498 PolarHBondContact O-N 2.88Å; V495-L498 PolarHBondContact O-N 3.33Å; L498-L502 VanDerWaalsContact O-CB 3.24Å; L498-L502 WeakPolarHBondContact O-CB 3.41Å; L498-L502 PolarHBondContact O-N 3.28Å
499M97.4Very high95.6Very high40 Ų4069.1 Ų69.120%0.19733%0.331CS..Hα-helixtrans-67.5-44.5175.1-74.4179.467.400111.9I469 K489 V495 K497 E501 L502 I503I469-M499 HydrophobicContact CD1-CG 3.91Å; I469-M499 HydrophobicContact CG1-CG 4.44Å; K489-M499 HydrophobicContact CB-SD 3.7Å; V495-M499 HydrophobicContact CG1-SD 4.38Å; V495-M499 WeakPolarHBondContact O-CB 3.12Å; V495-M499 WeakPolarHBondContact O-CG 3.38Å; V495-M499 PolarHBondContact O-N 3.25Å; K497-M499 VanDerWaalsContact C-N 3.32Å; K497-M499 PolarHBondContact O-N 2.88Å; M499-E501 VanDerWaalsContact C-N 3.35Å; M499-L502 PolarHBondContact O-N 2.76Å; M499-I503 WeakPolarHBondContact O-CG1 3.45Å; M499-I503 PolarHBondContact O-N 2.93Å; M499-I503 VanDerWaalsContact O-N 3.08Å
500K97.4Very high95.7Very high146 Ų14675.5 Ų75.564%0.63536%0.359SS*.Hα-helixtrans-63.1-41.7175-71.8169.2-177.5177.10111.3A496 K497 I503 R504A496-K500 VanDerWaalsContact O-CG 3.27Å; A496-K500 WeakPolarHBondContact O-CG 3.38Å; A496-K500 PolarHBondContact O-N 2.83Å; A496-K500 VanDerWaalsContact O-N 3.12Å; K497-K500 PolarHBondContact O-N 2.96Å; K500-I503 PolarHBondContact O-N 3.15Å; K500-R504 WeakPolarHBondContact O-CG 3.28Å; K500-R504 PolarHBondContact O-N 2.9Å
501E97.4Very high95.7Very high61 Ų6178.3 Ų78.329%0.28537%0.367SS..Hα-helixtrans-61.8-46.5174.4-159.2175.9-163.200111.4H461 L465 K497 M499 I503 R504 S505H461-E501 IonicContact CE1-OE1 3.33Å; H461-E501 PolarHBondContact CE1-OE1 2.78Å; H461-E501 IonicContact NE2-OE1 3.56Å; L465-E501 HydrophobicContact CD1-CB 4Å; L465-E501 HydrophobicContact CD1-CG 3.94Å; L465-E501 HydrophobicContact CD2-CB 4.39Å; L465-E501 HydrophobicContact CD2-CG 4.33Å; L465-E501 WeakPolarHBondContact CD2-OE2 3.45Å; K497-E501 WeakPolarHBondContact O-CB 3.45Å; K497-E501 PolarHBondContact O-N 3.41Å; M499-E501 VanDerWaalsContact C-N 3.35Å; E501-I503 PolarHBondContact O-N 3.32Å; E501-R504 WeakPolarHBondContact O-CB 3.37Å; E501-R504 PolarHBondContact O-N 3.49Å; E501-S505 PolarHBondContact O-N 3.1Å; E501-S505 PolarHBondContact O-OG 2.95Å; E501-S505 VanDerWaalsContact O-OG 3.05Å
502L97.3Very high95.5Very high15 Ų1576.1 Ų76.18%0.07935%0.349CS..Hα-helixtrans-59.7-34.6177.817661.8000112.3I462 L465 R466 I469 L498 M499 R506I462-L502 HydrophobicContact CB-CD1 4.38Å; I462-L502 HydrophobicContact CG1-CD1 4.38Å; I462-L502 HydrophobicContact CG2-CD1 3.86Å; L465-L502 HydrophobicContact CB-CB 4.26Å; L465-L502 HydrophobicContact CB-CD1 4.28Å; L465-L502 VanDerWaalsContact CD1-CA 3.48Å; L465-L502 HydrophobicContact CD1-CB 3.91Å; L465-L502 HydrophobicContact CD1-CD1 4.47Å; R466-L502 HydrophobicContact CG-CD1 4.03Å; R466-L502 HydrophobicContact CG-CD2 4.06Å; I469-L502 HydrophobicContact CD1-CB 4.48Å; I469-L502 HydrophobicContact CD1-CD2 3.79Å; L498-L502 VanDerWaalsContact O-CB 3.24Å; L498-L502 WeakPolarHBondContact O-CB 3.41Å; L498-L502 PolarHBondContact O-N 3.28Å; M499-L502 PolarHBondContact O-N 2.76Å; L502-R506 HydrophobicContact CD1-CG 4.34Å; L502-R506 VanDerWaalsContact O-CB 3.24Å; L502-R506 WeakPolarHBondContact O-CB 3.44Å; L502-R506 WeakPolarHBondContact O-CD 3.24Å; L502-R506 WeakPolarHBondContact O-CG 3.36Å; L502-R506 PolarHBondContact O-N 3.36Å; L502-R506 VanDerWaalsContact O-N 3.12Å
503I97.1Very high95.3Very high93 Ų9377.9 Ų77.948%0.47736%0.356SS..Hα-helixtrans-69.7-46173.5-67.2163.8000110.8M499 K500 E501 R506 K507M499-I503 WeakPolarHBondContact O-CG1 3.45Å; M499-I503 PolarHBondContact O-N 2.93Å; M499-I503 VanDerWaalsContact O-N 3.08Å; K500-I503 PolarHBondContact O-N 3.15Å; E501-I503 PolarHBondContact O-N 3.32Å; I503-R506 PolarHBondContact O-N 2.76Å; I503-K507 PolarHBondContact O-N 3.43Å
504R97.1Very high94.9Very high159 Ų15978.2 Ų78.260%0.635%0.353SS*.Hα-helixtrans-58.8-51.7176.5-70.1-171.6-60.71674.4111.6K500 E501 R506 K507 Q508K500-R504 WeakPolarHBondContact O-CG 3.28Å; K500-R504 PolarHBondContact O-N 2.9Å; E501-R504 WeakPolarHBondContact O-CB 3.37Å; E501-R504 PolarHBondContact O-N 3.49Å; R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.23Å; R504-K507 WeakPolarHBondContact O-CA 3.36Å; R504-K507 WeakPolarHBondContact O-CB 3.3Å; R504-K507 PolarHBondContact O-N 3Å; R504-Q508 PolarHBondContact O-N 3.01Å
505S96.3Very high94.1Very high4 Ų477.3 Ų77.33%0.02835%0.354CS..Hα-helixtrans-62.1-36.5179.7-470000112.4H461 E501 K507 L509H461-S505 PolarHBondContact CD2-OG 3.27Å; H461-S505 PolarHBondContact NE2-OG 2.7Å; E501-S505 PolarHBondContact O-N 3.1Å; E501-S505 PolarHBondContact O-OG 2.95Å; E501-S505 VanDerWaalsContact O-OG 3.05Å; S505-K507 VanDerWaalsContact C-N 3.33Å; S505-L509 VanDerWaalsContact O-CB 3.28Å; S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 2.79Å
506R96.2Very high92.9Very high110 Ų11082 Ų8242%0.41538%0.375SS..Hα-helixtrans-67.1-28.9173.2-81.7170.2161.1167.8-8.9113.4I462 L502 I503 R504 K510I462-R506 HydrophobicContact CD1-CG 4.2Å; L502-R506 HydrophobicContact CD1-CG 4.34Å; L502-R506 VanDerWaalsContact O-CB 3.24Å; L502-R506 WeakPolarHBondContact O-CB 3.44Å; L502-R506 WeakPolarHBondContact O-CD 3.24Å; L502-R506 WeakPolarHBondContact O-CG 3.36Å; L502-R506 PolarHBondContact O-N 3.36Å; L502-R506 VanDerWaalsContact O-N 3.12Å; I503-R506 PolarHBondContact O-N 2.76Å; R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.23Å; R506-K510 WeakPolarHBondContact O-CG 3.18Å; R506-K510 PolarHBondContact O-N 2.96Å
507K95.9Very high91.6Very high146 Ų14686 Ų8664%0.63540%0.403SS*.Hα-helixtrans-71.7-54.6171.9-73.6-174.8174.8-168.80110.3I503 R504 S505 L509 K510 E511I503-K507 PolarHBondContact O-N 3.43Å; R504-K507 WeakPolarHBondContact O-CA 3.36Å; R504-K507 WeakPolarHBondContact O-CB 3.3Å; R504-K507 PolarHBondContact O-N 3Å; S505-K507 VanDerWaalsContact C-N 3.33Å; K507-L509 PolarHBondContact O-N 3.08Å; K507-L509 VanDerWaalsContact O-N 3.14Å; K507-K510 WeakPolarHBondContact O-CA 3.44Å; K507-K510 WeakPolarHBondContact O-CB 3.35Å; K507-K510 PolarHBondContact O-N 3.39Å; K507-E511 WeakPolarHBondContact O-CB 3.49Å; K507-E511 PolarHBondContact O-N 3.29Å
508Q95.2Very high89.5Confident86 Ų8686.2 Ų86.240%0.40241%0.406SS..Hα-helixtrans-53.4-36.4176.2-69.6171.9-49.700112.3L458 R504 K510 E511 I512L458-Q508 HydrophobicContact CD2-CB 3.63Å; R504-Q508 PolarHBondContact O-N 3.01Å; Q508-K510 PolarHBondContact O-N 2.94Å; Q508-E511 PolarHBondContact O-N 3.32Å; Q508-I512 VanDerWaalsContact O-CG1 3.32Å; Q508-I512 WeakPolarHBondContact O-CG1 3.46Å; Q508-I512 PolarHBondContact O-N 3.02Å
509L94.3Very high87.2Confident23 Ų2391.5 Ų91.512%0.1243%0.429CS..Hα-helixtrans-70.6-29.1177.3-179.761.9000113.3V455 L458 N459 I462 S505 K507 K513V455-L509 HydrophobicContact CG1-CD1 3.84Å; L458-L509 HydrophobicContact CD2-CB 3.8Å; L458-L509 HydrophobicContact CD2-CD1 4.5Å; L458-L509 VanDerWaalsContact CD2-N 3.34Å; L458-L509 HydrophobicContact CG-CB 4.21Å; N459-L509 WeakPolarHBondContact ND2-CD1 3.37Å; N459-L509 VanDerWaalsContact OD1-CD2 3.31Å; N459-L509 WeakPolarHBondContact OD1-CD2 3.19Å; I462-L509 HydrophobicContact CD1-CB 4.03Å; I462-L509 HydrophobicContact CD1-CD2 3.56Å; I462-L509 HydrophobicContact CD1-CG 4.41Å; S505-L509 VanDerWaalsContact O-CB 3.28Å; S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 2.79Å; K507-L509 PolarHBondContact O-N 3.08Å; K507-L509 VanDerWaalsContact O-N 3.14Å; L509-K513 HydrophobicContact CD1-CD 4.32Å; L509-K513 HydrophobicContact CD1-CG 4.4Å; L509-K513 VanDerWaalsContact O-CB 3.27Å; L509-K513 WeakPolarHBondContact O-CB 3.34Å; L509-K513 WeakPolarHBondContact O-CG 3.43Å; L509-K513 PolarHBondContact O-N 3.49Å
510K93.9Very high84.6Confident164 Ų16494.5 Ų94.571%0.71346%0.455SS*.Hα-helixtrans-77.3-38.3173.3-73.2179.5173.9-167.90111.3R506 K507 Q508 L514R506-K510 WeakPolarHBondContact O-CG 3.18Å; R506-K510 PolarHBondContact O-N 2.96Å; K507-K510 WeakPolarHBondContact O-CA 3.44Å; K507-K510 WeakPolarHBondContact O-CB 3.35Å; K507-K510 PolarHBondContact O-N 3.39Å; Q508-K510 PolarHBondContact O-N 2.94Å; K510-L514 WeakPolarHBondContact O-CB 3.42Å; K510-L514 PolarHBondContact O-N 3.06Å
511E92.6Very high82.3Confident120 Ų12090.3 Ų90.356%0.56145%0.452SS*.Hα-helixtrans-62.3-57.6178-175.8171.2-156.600111.2K507 Q508 K513 L514 T515K507-E511 WeakPolarHBondContact O-CB 3.49Å; K507-E511 PolarHBondContact O-N 3.29Å; Q508-E511 PolarHBondContact O-N 3.32Å; E511-K513 VanDerWaalsContact C-N 3.27Å; E511-K513 PolarHBondContact O-N 2.92Å; E511-L514 WeakPolarHBondContact O-CA 3.48Å; E511-L514 WeakPolarHBondContact O-CB 3.43Å; E511-L514 PolarHBondContact O-N 3.15Å; E511-T515 PolarHBondContact O-N 3.42Å
512I88.3Confident79.8Confident35 Ų3594.5 Ų94.518%0.17948%0.476CS..Hα-helixtrans-65.1-30179.3-59.1168.3000111.9V453 V455 L458 Q508 L514 T515 Q516V453-I512 VanDerWaalsContact O-CD1 3.3Å; V453-I512 WeakPolarHBondContact O-CD1 3.09Å; V455-I512 HydrophobicContact CG2-CB 4.26Å; V455-I512 HydrophobicContact CG2-CG2 3.54Å; L458-I512 HydrophobicContact CD2-CD1 4.24Å; Q508-I512 VanDerWaalsContact O-CG1 3.32Å; Q508-I512 WeakPolarHBondContact O-CG1 3.46Å; Q508-I512 PolarHBondContact O-N 3.02Å; I512-L514 VanDerWaalsContact C-N 3.33Å; I512-T515 PolarHBondContact O-OG1 2.97Å; I512-Q516 HydrophobicContact CG2-CG 4.47Å; I512-Q516 VanDerWaalsContact O-CB 3.31Å; I512-Q516 WeakPolarHBondContact O-CB 3.45Å; I512-Q516 WeakPolarHBondContact O-CG 3.48Å; I512-Q516 PolarHBondContact O-N 3.38Å
513K88.6Confident77Confident115 Ų115103.4 Ų103.450%0.551%0.514SS..Hα-helixtrans-73.5-23.1172.3-80.3-172.7169.8-1590113.8L509 E511 S517L509-K513 HydrophobicContact CD1-CD 4.32Å; L509-K513 HydrophobicContact CD1-CG 4.4Å; L509-K513 VanDerWaalsContact O-CB 3.27Å; L509-K513 WeakPolarHBondContact O-CB 3.34Å; L509-K513 WeakPolarHBondContact O-CG 3.43Å; L509-K513 PolarHBondContact O-N 3.49Å; E511-K513 VanDerWaalsContact C-N 3.27Å; E511-K513 PolarHBondContact O-N 2.92Å; K513-S517 PolarHBondContact O-N 3.31Å
514L84.9Confident74.1Confident75 Ų75102.2 Ų102.239%0.39353%0.525SS..Hα-helixtrans-79.5-48.4175.4-173.4145.2000109.5K510 E511 I512 Q516 S517 E518K510-L514 WeakPolarHBondContact O-CB 3.42Å; K510-L514 PolarHBondContact O-N 3.06Å; E511-L514 WeakPolarHBondContact O-CA 3.48Å; E511-L514 WeakPolarHBondContact O-CB 3.43Å; E511-L514 PolarHBondContact O-N 3.15Å; I512-L514 VanDerWaalsContact C-N 3.33Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; L514-Q516 PolarHBondContact O-N 3.22Å; L514-S517 WeakPolarHBondContact O-CA 3.45Å; L514-S517 WeakPolarHBondContact O-CB 3.35Å; L514-S517 PolarHBondContact O-N 3.12Å; L514-E518 PolarHBondContact O-N 3.13Å
515T77.2Confident71.2Confident66 Ų66103.5 Ų103.541%0.40554%0.543SS..Hα-helixtrans-61.6-39.6176.459.80000112.2E511 I512 S517 E518 E519E511-T515 PolarHBondContact O-N 3.42Å; I512-T515 PolarHBondContact O-OG1 2.97Å; T515-S517 PolarHBondContact O-N 3.24Å; T515-E518 WeakPolarHBondContact O-CB 3.4Å; T515-E518 PolarHBondContact O-N 2.96Å; T515-E519 WeakPolarHBondContact O-CB 2.98Å; T515-E519 PolarHBondContact O-N 3.23Å
516Q73.1Confident68Low102 Ų102107 Ų10748%0.47758%0.58SS.*Hα-helixtrans-62.7-26.8172.8-76.6179.5-5.800114I512 L514 E518 S520I512-Q516 HydrophobicContact CG2-CG 4.47Å; I512-Q516 VanDerWaalsContact O-CB 3.31Å; I512-Q516 WeakPolarHBondContact O-CB 3.45Å; I512-Q516 WeakPolarHBondContact O-CG 3.48Å; I512-Q516 PolarHBondContact O-N 3.38Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; L514-Q516 PolarHBondContact O-N 3.22Å; Q516-E518 VanDerWaalsContact C-N 3.3Å; Q516-S520 WeakPolarHBondContact O-CB 3.3Å
517S68.6Low64.8Low100 Ų100105.3 Ų105.370%0.69960%0.596SS**Hα-helixtrans-80.1-14174.7-170.30000113K513 L514 T515K513-S517 PolarHBondContact O-N 3.31Å; L514-S517 WeakPolarHBondContact O-CA 3.45Å; L514-S517 WeakPolarHBondContact O-CB 3.35Å; L514-S517 PolarHBondContact O-N 3.12Å; T515-S517 PolarHBondContact O-N 3.24Å
518E53.4Low61.5Low127 Ų127108.5 Ų108.559%0.59361%0.61SS**Hα-helixtrans-102.9-47.3-174.3-169.4165.6-161.700110.1L514 T515 Q516 S520 G521L514-E518 PolarHBondContact O-N 3.13Å; T515-E518 WeakPolarHBondContact O-CB 3.4Å; T515-E518 PolarHBondContact O-N 2.96Å; Q516-E518 VanDerWaalsContact C-N 3.3Å; E518-S520 VanDerWaalsContact C-N 3.26Å; E518-S520 PolarHBondContact O-N 3.19Å; E518-G521 PolarHBondContact O-N 3.42Å
519E49Very low58.4Low134 Ų134107.7 Ų107.763%0.62663%0.625SS**Hα-helixtrans-59.3-35.8173.2-167.9-170.4164.300112.2T515 G521 L522T515-E519 WeakPolarHBondContact O-CB 2.98Å; T515-E519 PolarHBondContact O-N 3.23Å; E519-G521 PolarHBondContact O-N 2.97Å; E519-L522 PolarHBondContact O-N 3.01Å; E519-L522 VanDerWaalsContact O-N 3.09Å
520S44.1Very low56Low104 Ų104112.9 Ų112.973%0.72766%0.66SS**THydrogen-bonded Turntrans-63.3-10.6175.4-173.50000114.2Q516 E518Q516-S520 WeakPolarHBondContact O-CB 3.3Å; E518-S520 VanDerWaalsContact C-N 3.26Å; E518-S520 PolarHBondContact O-N 3.19Å
521G47.6Very low52.9Low57 Ų57110.8 Ų110.859%0.58867%0.666SS**THydrogen-bonded Turntrans-84.6-18.5173.600000114.7E518 E519E518-G521 PolarHBondContact O-N 3.42Å; E519-G521 PolarHBondContact O-N 2.97Å
522L45Very low49.9Very low149 Ų149108.2 Ų108.278%0.7867%0.672SS**THydrogen-bonded Turntrans-99.815-164.1-76.9167000115.7E519E519-L522 PolarHBondContact O-N 3.01Å; E519-L522 VanDerWaalsContact O-N 3.09Å
523K39.9Very low47.2Very low203 Ų203116 Ų11688%0.88371%0.708SS**THydrogen-bonded Turntrans-114.212173.6-80.6-178.9175.81680115
524G34.4Very low44.5Very low68 Ų68115.9 Ų115.970%0.70172%0.716SS**  trans-102.4117.4167.300000110.9
525L37.6Very low41.6Very low186 Ų186118.7 Ų118.797%0.97474%0.741SS**  trans-102.8111.9-172.6-147.3168.4000111.2
526G28.6Very low39.5Very low78 Ų78124.8 Ų124.880%0.80476%0.756SS**  trans109.1116.4163.200000116.6
527G28.1Very low37.2Very low73 Ų73126.1 Ų126.175%0.75377%0.772SS**  trans140.283.1166.300000116.1
528F27.9Very low35.2Very low214 Ų214128.3 Ų128.394%0.93978%0.776SS**  trans-5128.3165.4-60.1-91.6000120.2
529G30.2Very low34Very low69 Ų69126.6 Ų126.671%0.71178%0.783SS**  trans-96.3-141157.800000111.5
530P42.6Very low32.9Very low132 Ų132127 Ų12786%0.85779%0.785SS**  cis-139.1160.3-8.841.1-24.5000116
531S28.9Very low32.2Very low120 Ų120129.2 Ų129.284%0.83978%0.784SS**  trans-171.3140143.6-156.40000107.5
532G29.8Very low31.4Very low66 Ų66137 Ų13768%0.6880%0.795SS**  cis99.5110.625.400000108.9
533E31.9Very low30.5Very low199 Ų199139.2 Ų139.293%0.9380%0.802SS**  cis-151.1173.12.1-147.5179.3169.300111.8
534T32.5Very low30Very low112 Ų112133.6 Ų133.669%0.68779%0.793SS**  trans-91.4139.7-177.6-70.90000112.4R536T534-R536 HydrophobicContact CG2-CG 4.1Å
535C23.9Very low29.6Very low133 Ų133136.6 Ų136.690%0.89980%0.798SS**  trans-124.3113.9159.1-93.40000111.6
536R32.6Very low29.7Very low194 Ų194133.7 Ų133.773%0.73279%0.79SS**  trans-110.2113.3169.1-76.1-172.7178.8-158.56.8111T534T534-R536 HydrophobicContact CG2-CG 4.1Å
537T24.6Very low29.6Very low131 Ų131136.3 Ų136.380%0.80479%0.79SS**  trans-147.4113.5151.633.80000107.4
538N25.8Very low29.7Very low146 Ų146136.2 Ų136.278%0.78179%0.789SS**  78.7113.367.9-75.6-32.8000113.7
539A28.7Very low30Very low91 Ų91132.2 Ų132.275%0.75278%0.783SS**  trans56.2125.8151.800000120.1
540E26Very low30.3Very low143 Ų143136 Ų13667%0.66878%0.782SS**  148.7125.997.9-170.560.9-16300112
541Q30.6Very low30Very low150 Ų150135.5 Ų135.570%0.70177%0.772SS**  trans54.8131.9167.2-67.2163.641.600117
542R29.3Very low30.3Very low219 Ų219138.8 Ų138.883%0.82677%0.765SS**  cis-150.914844.9-62.8-179-178.6-157.71.7110.8
543E26.6Very low30.6Very low197 Ų197141.8 Ų141.892%0.92177%0.773SS**  trans-112136.6152.3-166.1161-136.500107
544A28.8Very low30.5Very low85 Ų85139.6 Ų139.670%0.70277%0.766SS**  trans-108.6166.9-174.500000111.1
545V27.4Very low30.8Very low130 Ų130140.3 Ų140.379%0.78877%0.766SS**  trans-38.5123.9177.7179.70000112.5
546P38.7Very low31.1Very low126 Ų126140.9 Ų140.982%0.81876%0.76SS**  trans-87.4115.7178.832.6-31.9000111.8
547T27.6Very low31.4Very low132 Ų132138.8 Ų138.881%0.8176%0.763SS**  trans-134.8110165.9-55.40000111.4
548G30.2Very low32.2Very low71 Ų71137.1 Ų137.173%0.73276%0.757SS**SBendtrans75.752.713100000120.5
549T33.7Very low32.5Very low131 Ų131136.8 Ų136.880%0.80476%0.755SS**  trans-151.4121.7133.4-35.80000109.4L551T549-L551 PolarHBondContact O-N 2.86Å
550E35.5Very low33.3Very low149 Ų149136.7 Ų136.770%0.69676%0.755SS**  trans-64.9131.2178.3-78.6-151.8118.700111.6R552E550-R552 IonicContact OE2-NE 3.31Å
551L36.9Very low34Very low121 Ų121136.5 Ų136.563%0.63476%0.763SS**  trans-121.9112.6138.7-74.2-179.1000106.9T549T549-L551 PolarHBondContact O-N 2.86Å
552R34.2Very low35.1Very low188 Ų188135.4 Ų135.471%0.70976%0.758SS**  trans-61.2129176.6-72.6-177.6173.9-171-2.4109.9E550 I554E550-R552 IonicContact OE2-NE 3.31Å; R552-I554 VanDerWaalsContact C-N 3.32Å; R552-I554 PolarHBondContact O-N 3.29Å
553P37.2Very low37.3Very low129 Ų129128.3 Ų128.384%0.83874%0.736SS**  trans-71.592.9164.629.7-31.6000108.2N555P553-N555 PolarHBondContact O-N 2.63Å; P553-N555 VanDerWaalsContact O-N 3.14Å
554I30.4Very low40.1Very low153 Ų153119.9 Ų119.979%0.78570%0.698SS**  trans-62.1118.5173.3-64.9179.9000107.9R552 N556R552-I554 VanDerWaalsContact C-N 3.32Å; R552-I554 PolarHBondContact O-N 3.29Å; I554-N556 PolarHBondContact O-N 3.33Å
555N37.1Very low43Very low128 Ų128119.1 Ų119.168%0.68468%0.679SS**  trans-60.6122.1173.7161.578.9000110.2P553P553-N555 PolarHBondContact O-N 2.63Å; P553-N555 VanDerWaalsContact O-N 3.14Å
556N31.1Very low46Very low145 Ų145118.9 Ų118.978%0.77567%0.67SS**  trans-147.4143.3140.8-96.8-30.7000110I554I554-N556 PolarHBondContact O-N 3.33Å
557N39.1Very low48.5Very low150 Ų150113.4 Ų113.480%0.80263%0.634SS**  trans-122.6139-176.4-153.5-0.5000106.9
558S41.2Very low51.7Low95 Ų95107.6 Ų107.666%0.66460%0.599SS**  trans67.9139.3-152.795.50000112.4
559N33.2Very low54.7Low139 Ų139108.1 Ų108.174%0.74359%0.585SS**  cis-114.6175.412.7-57.3-40.6000112.7
560A43.9Very low57.7Low90 Ų90106 Ų10674%0.74457%0.568SS**SBendtrans-66.2153.8159.400000109.7
561T41Very low60.5Low138 Ų13899.1 Ų99.185%0.84754%0.536SS*.SBendtrans52.188.3-168.859.30000113.6
562Q53.2Low63.3Low127 Ų12795.7 Ų95.759%0.59352%0.52SS*.  trans-58.3134.8155.1-70.9176.3-27.100108.3L564Q562-L564 PolarHBondContact O-N 3.19Å
563N75.6Confident66.1Low70 Ų7090.4 Ų90.437%0.37451%0.506SS..  trans-66.2125.3-173.8-172.6-6.3000110.6E565 E566 T567N563-E565 VanDerWaalsContact C-N 3.29Å; N563-E565 PolarHBondContact O-N 3.16Å; N563-E565 WeakPolarHBondContact OD1-CB 3.33Å; N563-E565 PolarHBondContact OD1-N 3.2Å; N563-E566 HydrophobicContact CB-CB 4.02Å; N563-E566 HydrophobicContact CB-CG 3.85Å; N563-E566 WeakPolarHBondContact CB-OE1 3.39Å; N563-E566 PolarHBondContact ND2-OE1 2.9Å; N563-E566 PolarHBondContact O-N 2.99Å; N563-T567 PolarHBondContact O-N 3.21Å; N563-T567 PolarHBondContact O-OG1 3.07Å; N563-T567 VanDerWaalsContact O-OG1 3.04Å
564L87Confident68.8Low20 Ų2087.6 Ų87.611%0.10548%0.478CS..Hα-helixtrans-60.2-42.9178.917860.7000110.9Q562 T567 V568 F610 Q621 Q622 L625Q562-L564 PolarHBondContact O-N 3.19Å; L564-T567 PolarHBondContact O-N 2.83Å; L564-V568 WeakPolarHBondContact O-CG2 3.49Å; L564-V568 PolarHBondContact O-N 3.42Å; L564-F610 HydrophobicContact CD1-CE2 3.65Å; L564-F610 HydrophobicContact CD1-CZ 3.62Å; L564-Q621 HydrophobicContact CD2-CB 4.3Å; L564-Q621 HydrophobicContact CD2-CG 3.86Å; L564-Q622 HydrophobicContact CD1-CG 3.79Å; L564-Q622 HydrophobicContact CD2-CB 4.37Å; L564-Q622 HydrophobicContact CD2-CG 3.65Å; L564-Q622 HydrophobicContact CG-CG 4.39Å; L564-L625 HydrophobicContact CD2-CD1 3.76Å; L564-L625 HydrophobicContact CG-CD1 3.81Å
565E88.7Confident71.8Confident69 Ų6980.5 Ų80.532%0.32244%0.442SS..Hα-helixtrans-64.5-44.1-179-140.367.1-141.100111.3N563 T567 V568 N569 L625N563-E565 VanDerWaalsContact C-N 3.29Å; N563-E565 PolarHBondContact O-N 3.16Å; N563-E565 WeakPolarHBondContact OD1-CB 3.33Å; N563-E565 PolarHBondContact OD1-N 3.2Å; E565-T567 VanDerWaalsContact C-N 3.29Å; E565-T567 PolarHBondContact O-N 3.23Å; E565-V568 WeakPolarHBondContact O-CB 3.23Å; E565-V568 PolarHBondContact O-N 3.18Å; E565-N569 WeakPolarHBondContact O-CB 3.32Å; E565-N569 VanDerWaalsContact O-CG 3.23Å; E565-N569 PolarHBondContact O-N 2.95Å; E565-N569 PolarHBondContact O-ND2 2.9Å; E565-N569 VanDerWaalsContact O-ND2 3.14Å; E565-L625 WeakPolarHBondContact OE1-CD2 3.44Å; E565-L625 WeakPolarHBondContact OE2-CD1 3.28Å
566E90.5Very high74.5Confident125 Ų12580 Ų8058%0.58443%0.431SS*.Hα-helixtrans-61.8-37.4176.6-71.9161-141.600111.7N563 N569 L570N563-E566 HydrophobicContact CB-CB 4.02Å; N563-E566 HydrophobicContact CB-CG 3.85Å; N563-E566 WeakPolarHBondContact CB-OE1 3.39Å; N563-E566 PolarHBondContact ND2-OE1 2.9Å; N563-E566 PolarHBondContact O-N 2.99Å; E566-N569 PolarHBondContact O-N 2.85Å; E566-L570 WeakPolarHBondContact O-CB 3.33Å; E566-L570 PolarHBondContact O-N 2.72Å
567T91.9Very high77.4Confident12 Ų1278.3 Ų78.37%0.07442%0.418CS..Hα-helixtrans-70.1-39.1177.2-48.30000111.5N563 L564 E565 I571 F610 L613 H614N563-T567 PolarHBondContact O-N 3.21Å; N563-T567 PolarHBondContact O-OG1 3.07Å; N563-T567 VanDerWaalsContact O-OG1 3.04Å; L564-T567 PolarHBondContact O-N 2.83Å; E565-T567 VanDerWaalsContact C-N 3.29Å; E565-T567 PolarHBondContact O-N 3.23Å; T567-I571 HydrophobicContact CG2-CD1 4.3Å; T567-I571 WeakPolarHBondContact O-CG1 3.19Å; T567-I571 PolarHBondContact O-N 2.77Å; T567-F610 HydrophobicContact CG2-CD2 4.25Å; T567-L613 HydrophobicContact CG2-CD1 4.02Å; T567-H614 WeakPolarHBondContact CB-NE2 2.96Å; T567-H614 PolarHBondContact OG1-NE2 2.74Å
568V94.4Very high80Confident10 Ų1075.8 Ų75.86%0.06140%0.397CS..Hα-helixtrans-63.3-44.2174.2172.30000110.5L564 E565 I571 T572 L625 M626 F629L564-V568 WeakPolarHBondContact O-CG2 3.49Å; L564-V568 PolarHBondContact O-N 3.42Å; E565-V568 WeakPolarHBondContact O-CB 3.23Å; E565-V568 PolarHBondContact O-N 3.18Å; V568-I571 PolarHBondContact O-N 2.87Å; V568-T572 WeakPolarHBondContact O-CB 3.35Å; V568-T572 PolarHBondContact O-N 2.68Å; V568-T572 PolarHBondContact O-OG1 2.73Å; V568-L625 HydrophobicContact CG1-CB 4.45Å; V568-L625 HydrophobicContact CG2-CB 3.8Å; V568-L625 HydrophobicContact CG2-CD1 4.29Å; V568-M626 HydrophobicContact CB-CE 4.39Å; V568-M626 HydrophobicContact CG1-CE 4.49Å; V568-M626 HydrophobicContact CG2-CE 3.65Å; V568-F629 HydrophobicContact CG1-CE2 4.02Å; V568-F629 HydrophobicContact CG1-CZ 4.25Å
569N93.6Very high82.4Confident82 Ų8272.5 Ų72.544%0.43937%0.37SS..Hα-helixtrans-66.8-40.3178.4-72-31.4000112.3E565 E566 T572 N573E565-N569 WeakPolarHBondContact O-CB 3.32Å; E565-N569 VanDerWaalsContact O-CG 3.23Å; E565-N569 PolarHBondContact O-N 2.95Å; E565-N569 PolarHBondContact O-ND2 2.9Å; E565-N569 VanDerWaalsContact O-ND2 3.14Å; E566-N569 PolarHBondContact O-N 2.85Å; N569-T572 PolarHBondContact O-N 3.16Å; N569-N573 WeakPolarHBondContact O-CB 3.31Å; N569-N573 PolarHBondContact O-N 3.23Å; N569-N573 PolarHBondContact O-ND2 3.38Å
570L95.1Very high85.1Confident86 Ų8670.4 Ų70.445%0.4537%0.366SS..Hα-helixtrans-59.3-45.6172.2177.260.1000111.7E566 T572 R574 Y609E566-L570 WeakPolarHBondContact O-CB 3.33Å; E566-L570 PolarHBondContact O-N 2.72Å; L570-T572 VanDerWaalsContact C-N 3.35Å; L570-R574 VanDerWaalsContact O-CB 3.24Å; L570-R574 WeakPolarHBondContact O-CB 3.26Å; L570-R574 PolarHBondContact O-N 3.23Å; L570-Y609 HydrophobicContact CD2-CE1 4.07Å; L570-Y609 WeakPolarHBondContact CD2-OH 3.22Å
571I95.3Very high87.4Confident4 Ų471.1 Ų71.12%0.02136%0.355CS..Hα-helixtrans-63-41.8175.4-73.8164.7000111.3T567 V568 R574 L575 C606 Y609 F610 M626 F629T567-I571 HydrophobicContact CG2-CD1 4.3Å; T567-I571 WeakPolarHBondContact O-CG1 3.19Å; T567-I571 PolarHBondContact O-N 2.77Å; V568-I571 PolarHBondContact O-N 2.87Å; I571-R574 PolarHBondContact O-N 3.05Å; I571-L575 HydrophobicContact CG2-CD1 3.82Å; I571-L575 WeakPolarHBondContact O-CB 3.29Å; I571-L575 WeakPolarHBondContact O-CG 3.42Å; I571-L575 PolarHBondContact O-N 3.35Å; I571-C606 HydrophobicContact CG1-CB 4.5Å; I571-C606 HydrophobicContact CG2-CB 3.83Å; I571-Y609 HydrophobicContact CD1-CD1 4.22Å; I571-Y609 HydrophobicContact CG1-CD1 4.05Å; I571-Y609 HydrophobicContact CG1-CE1 4.48Å; I571-F610 HydrophobicContact CD1-CB 3.82Å; I571-F610 HydrophobicContact CD1-CD2 4.01Å; I571-F610 HydrophobicContact CD1-CG 4.41Å; I571-M626 HydrophobicContact CD1-CE 4.32Å; I571-F629 HydrophobicContact CG2-CD1 3.97Å; I571-F629 HydrophobicContact CG2-CE1 3.68Å; I571-F629 HydrophobicContact CG2-CZ 4.13Å
572T94.9Very high89.6Confident49 Ų4968 Ų6830%0.30133%0.332SS..Hα-helixtrans-63-48.1179.4-55.60000111.4V568 N569 L570 L575 R576 F629V568-T572 WeakPolarHBondContact O-CB 3.35Å; V568-T572 PolarHBondContact O-N 2.68Å; V568-T572 PolarHBondContact O-OG1 2.73Å; N569-T572 PolarHBondContact O-N 3.16Å; L570-T572 VanDerWaalsContact C-N 3.35Å; T572-L575 PolarHBondContact O-N 2.91Å; T572-R576 PolarHBondContact O-N 3.34Å; T572-F629 WeakPolarHBondContact OG1-CZ 3.48Å
573N94Very high91.1Very high78 Ų7865 Ų6542%0.41734%0.335SS..Hα-helixtrans-64.2-45.3178.3-72.1-20.8000111.2N569 L575 R576 E577N569-N573 WeakPolarHBondContact O-CB 3.31Å; N569-N573 PolarHBondContact O-N 3.23Å; N569-N573 PolarHBondContact O-ND2 3.38Å; N573-L575 VanDerWaalsContact C-N 3.32Å; N573-L575 PolarHBondContact O-N 3.48Å; N573-R576 WeakPolarHBondContact O-CB 3.31Å; N573-R576 PolarHBondContact O-N 3.04Å; N573-R576 VanDerWaalsContact O-N 3.15Å; N573-R576 VanDerWaalsContact OD1-CZ 3.3Å; N573-R576 PolarHBondContact OD1-NH1 2.94Å; N573-R576 PolarHBondContact OD1-NH2 3.46Å; N573-E577 VanDerWaalsContact O-CB 3.28Å; N573-E577 WeakPolarHBondContact O-CB 3.34Å; N573-E577 PolarHBondContact O-N 2.9Å
574R93.5Very high91.7Very high69 Ų6962.2 Ų62.226%0.2632%0.32SS..Hα-helixtrans-63-34.4178.1-170.2179.9-175.2-166.40.4113.3L570 I571 R578L570-R574 VanDerWaalsContact O-CB 3.24Å; L570-R574 WeakPolarHBondContact O-CB 3.26Å; L570-R574 PolarHBondContact O-N 3.23Å; I571-R574 PolarHBondContact O-N 3.05Å; R574-R578 WeakPolarHBondContact O-CB 3Å; R574-R578 WeakPolarHBondContact O-CG 3.5Å; R574-R578 PolarHBondContact O-N 2.83Å
575L93.8Very high91.8Very high4 Ų463.2 Ų63.22%0.02133%0.328CS..Hα-helixtrans-71.5-37.8173.8-75.6166.2000112I571 T572 N573 R579 C602 M603 C606 F629I571-L575 HydrophobicContact CG2-CD1 3.82Å; I571-L575 WeakPolarHBondContact O-CB 3.29Å; I571-L575 WeakPolarHBondContact O-CG 3.42Å; I571-L575 PolarHBondContact O-N 3.35Å; T572-L575 PolarHBondContact O-N 2.91Å; N573-L575 VanDerWaalsContact C-N 3.32Å; N573-L575 PolarHBondContact O-N 3.48Å; L575-R579 WeakPolarHBondContact O-CG 3.32Å; L575-R579 PolarHBondContact O-N 3.39Å; L575-C602 HydrophobicContact CD2-CB 4.17Å; L575-M603 HydrophobicContact CD1-CE 3.71Å; L575-M603 HydrophobicContact CD1-SD 3.85Å; L575-M603 HydrophobicContact CD2-CE 4.17Å; L575-C606 HydrophobicContact CD1-CB 4.36Å; L575-C606 HydrophobicContact CD2-CB 4.42Å; L575-C606 HydrophobicContact CG-CB 4.4Å; L575-F629 HydrophobicContact CD1-CD1 3.66Å; L575-F629 HydrophobicContact CD1-CE1 3.77Å
576R92.7Very high91.6Very high118 Ų11864.4 Ų64.445%0.44534%0.336SS..Hα-helixtrans-64.6-50.2173.8-163.3-166.8-50.7115.810.4111T572 N573 R578 R579 S580T572-R576 PolarHBondContact O-N 3.34Å; N573-R576 WeakPolarHBondContact O-CB 3.31Å; N573-R576 PolarHBondContact O-N 3.04Å; N573-R576 VanDerWaalsContact O-N 3.15Å; N573-R576 VanDerWaalsContact OD1-CZ 3.3Å; N573-R576 PolarHBondContact OD1-NH1 2.94Å; N573-R576 PolarHBondContact OD1-NH2 3.46Å; R576-R578 PolarHBondContact O-N 2.96Å; R576-R579 WeakPolarHBondContact O-CA 3.4Å; R576-R579 WeakPolarHBondContact O-CB 3.36Å; R576-R579 PolarHBondContact O-N 3.25Å; R576-S580 PolarHBondContact O-N 2.99Å; R576-S580 PolarHBondContact O-OG 2.72Å
577E93.4Very high91.4Very high109 Ų10960.8 Ų60.851%0.50933%0.325SS..Hα-helixtrans-52.2-50.6174.6176.7-178.6-118.600111.5N573 R579 S580 E581N573-E577 VanDerWaalsContact O-CB 3.28Å; N573-E577 WeakPolarHBondContact O-CB 3.34Å; N573-E577 PolarHBondContact O-N 2.9Å; E577-R579 PolarHBondContact O-N 2.93Å; E577-S580 PolarHBondContact O-N 3.23Å; E577-S580 VanDerWaalsContact O-N 3.13Å; E577-E581 WeakPolarHBondContact O-CG 3.3Å; E577-E581 PolarHBondContact O-N 3.47Å
578R92.4Very high91.3Very high97 Ų9761.5 Ų61.537%0.36633%0.328SS..Hα-helixtrans-64.9-20.4175.7-73.9-52.9-170.7159.3-5.5114.9R574 R576 E581 L582R574-R578 WeakPolarHBondContact O-CB 3Å; R574-R578 WeakPolarHBondContact O-CG 3.5Å; R574-R578 PolarHBondContact O-N 2.83Å; R576-R578 PolarHBondContact O-N 2.96Å; R578-E581 WeakPolarHBondContact CD-OE2 3.42Å; R578-E581 IonicContact CZ-OE1 2.74Å; R578-E581 IonicContact CZ-OE2 2.96Å; R578-E581 IonicContact NE-OE1 3.4Å; R578-E581 IonicContact NE-OE2 3.15Å; R578-E581 PolarHBondContact NE-OE2 3.45Å; R578-E581 IonicContact NH1-OE1 2.7Å; R578-E581 IonicContact NH1-OE2 3.65Å; R578-E581 PolarHBondContact NH1-OE2 3.06Å; R578-L582 WeakPolarHBondContact O-CB 3.4Å; R578-L582 WeakPolarHBondContact O-CD1 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.31Å; R578-L582 WeakPolarHBondContact O-CG 3.35Å
579R92.6Very high90.9Very high26 Ų2670.1 Ų70.110%0.09837%0.365CS..Hα-helixtrans-79.2-43.7169.2-70-179.6-153.4123.912.2111.6L575 R576 E577 L582 G583 L584 D586 E599L575-R579 WeakPolarHBondContact O-CG 3.32Å; L575-R579 PolarHBondContact O-N 3.39Å; R576-R579 WeakPolarHBondContact O-CA 3.4Å; R576-R579 WeakPolarHBondContact O-CB 3.36Å; R576-R579 PolarHBondContact O-N 3.25Å; E577-R579 PolarHBondContact O-N 2.93Å; R579-L582 CarbonylContact O-C 3.52Å; R579-L582 PolarHBondContact O-N 2.89Å; R579-G583 PolarHBondContact O-N 3.39Å; R579-L584 HydrophobicContact CB-CB 3.96Å; R579-L584 HydrophobicContact CG-CB 3.9Å; R579-L584 HydrophobicContact CG-CD1 4.3Å; R579-L584 PolarHBondContact O-N 2.9Å; R579-D586 VanDerWaalsContact CD-OD1 3.31Å; R579-D586 WeakPolarHBondContact CD-OD1 3.35Å; R579-D586 IonicContact CZ-OD1 3.16Å; R579-D586 IonicContact NE-OD1 3.56Å; R579-D586 IonicContact NH1-OD1 3.53Å; R579-D586 PolarHBondContact NH1-OD1 3.12Å; R579-E599 IonicContact CZ-OE1 3.48Å; R579-E599 IonicContact CZ-OE2 2.7Å; R579-E599 IonicContact NE-OE1 2.67Å; R579-E599 PolarHBondContact NE-OE1 3.42Å; R579-E599 IonicContact NE-OE2 2.71Å; R579-E599 PolarHBondContact NE-OE2 2.74Å; R579-E599 IonicContact NH2-OE1 3.62Å; R579-E599 PolarHBondContact NH2-OE1 2.96Å; R579-E599 IonicContact NH2-OE2 3.51Å
580S90.6Very high90.6Very high95 Ų9571.5 Ų71.566%0.66437%0.372SS*.Hα-helixtrans-60.3-45.7176.1-55.60000112.6R576 E577 L582R576-S580 PolarHBondContact O-N 2.99Å; R576-S580 PolarHBondContact O-OG 2.72Å; E577-S580 PolarHBondContact O-N 3.23Å; E577-S580 VanDerWaalsContact O-N 3.13Å; S580-L582 PolarHBondContact O-N 3.24Å
581E90.6Very high90.3Very high106 Ų10667.9 Ų67.950%0.49535%0.353SS..Hα-helixtrans-58.2-33.3175.6-75.5179.7-171.500113.7E577 R578E577-E581 WeakPolarHBondContact O-CG 3.3Å; E577-E581 PolarHBondContact O-N 3.47Å; R578-E581 WeakPolarHBondContact CD-OE2 3.42Å; R578-E581 IonicContact CZ-OE1 2.74Å; R578-E581 IonicContact CZ-OE2 2.96Å; R578-E581 IonicContact NE-OE1 3.4Å; R578-E581 IonicContact NE-OE2 3.15Å; R578-E581 PolarHBondContact NE-OE2 3.45Å; R578-E581 IonicContact NH1-OE1 2.7Å; R578-E581 IonicContact NH1-OE2 3.65Å; R578-E581 PolarHBondContact NH1-OE2 3.06Å
582L86.9Confident90.1Very high73 Ų7370.5 Ų70.538%0.38237%0.372SS..THydrogen-bonded Turntrans-1085.8-169.9-64177000113.2R578 R579 S580 L584 M598R578-L582 WeakPolarHBondContact O-CB 3.4Å; R578-L582 WeakPolarHBondContact O-CD1 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.31Å; R578-L582 WeakPolarHBondContact O-CG 3.35Å; R579-L582 CarbonylContact O-C 3.52Å; R579-L582 PolarHBondContact O-N 2.89Å; S580-L582 PolarHBondContact O-N 3.24Å; L582-L584 HydrophobicContact CB-CD1 3.81Å; L582-L584 HydrophobicContact CB-CG 3.72Å; L582-L584 HydrophobicContact CD1-CD1 3.91Å; L582-L584 PolarHBondContact O-N 2.92Å; L582-M598 HydrophobicContact CD1-CE 3.95Å; L582-M598 HydrophobicContact CD2-CE 4.26Å
583G85.3Confident90Very high62 Ų6273.4 Ų73.464%0.63938%0.382SS*.THydrogen-bonded Turntrans59.128.3-176.100000114.1R579R579-G583 PolarHBondContact O-N 3.39Å
584L88.5Confident89.9Confident12 Ų1276.2 Ų76.26%0.06339%0.39CS..  trans-82.9132.3-174.8-65.3170.6000111.2R579 L582 M591 Q595R579-L584 HydrophobicContact CB-CB 3.96Å; R579-L584 HydrophobicContact CG-CB 3.9Å; R579-L584 HydrophobicContact CG-CD1 4.3Å; R579-L584 PolarHBondContact O-N 2.9Å; L582-L584 HydrophobicContact CB-CD1 3.81Å; L582-L584 HydrophobicContact CB-CG 3.72Å; L582-L584 HydrophobicContact CD1-CD1 3.91Å; L582-L584 PolarHBondContact O-N 2.92Å; L584-M591 HydrophobicContact CB-CE 3.93Å; L584-M591 HydrophobicContact CD1-CE 4.47Å; L584-M591 HydrophobicContact CD2-CE 3.92Å; L584-M591 HydrophobicContact CG-CE 4.33Å; L584-Q595 HydrophobicContact CD2-CB 3.59Å; L584-Q595 HydrophobicContact CD2-CG 3.54Å
585P88.1Confident89.8Confident41 Ų4175.1 Ų75.127%0.26639%0.388SS..  trans-58.8139172.1-25.835.4000112.9S587 D590 M591P585-S587 VanDerWaalsContact C-N 3.31Å; P585-D590 HydrophobicContact CB-CB 4.26Å; P585-M591 HydrophobicContact CB-CG 4.22Å; P585-M591 HydrophobicContact CG-CG 4.49Å
586D85Confident89.9Confident94 Ų9475.6 Ų75.650%0.50339%0.39SS..SBendtrans-70.3-30.2174.1-101.5-43000112.2R579 R632R579-D586 VanDerWaalsContact CD-OD1 3.31Å; R579-D586 WeakPolarHBondContact CD-OD1 3.35Å; R579-D586 IonicContact CZ-OD1 3.16Å; R579-D586 IonicContact NE-OD1 3.56Å; R579-D586 IonicContact NH1-OD1 3.53Å; R579-D586 PolarHBondContact NH1-OD1 3.12Å; D586-R632 VanDerWaalsContact O-CZ 3.3Å; D586-R632 PolarHBondContact O-NH1 3.45Å; D586-R632 PolarHBondContact O-NH2 3.31Å
587S86.7Confident89.9Confident50 Ų5072 Ų7235%0.3538%0.383SS..SBendtrans-80.3126.7173.2168.50000111P585 K589 D590 M591P585-S587 VanDerWaalsContact C-N 3.31Å; S587-K589 PolarHBondContact O-N 2.77Å; S587-K589 PolarHBondContact OG-N 2.85Å; S587-D590 WeakPolarHBondContact CB-OD2 3.48Å; S587-D590 PolarHBondContact O-N 2.95Å; S587-D590 PolarHBondContact OG-OD2 3.49Å; S587-M591 VanDerWaalsContact O-CG 3.3Å; S587-M591 WeakPolarHBondContact O-CG 3.46Å
588I88.9Confident89.8Confident27 Ų2769.3 Ų69.314%0.13837%0.372CS..G310 helixtrans-66.4-27-177.6-48.4168.8000111.5D590 L596 R632 L635 L636 L639I588-D590 VanDerWaalsContact C-N 3.29Å; I588-D590 PolarHBondContact O-N 3.42Å; I588-L596 HydrophobicContact CG2-CD2 3.66Å; I588-R632 HydrophobicContact CD1-CG 3.79Å; I588-R632 HydrophobicContact CG1-CG 4.44Å; I588-L635 HydrophobicContact CD1-CB 4.29Å; I588-L635 HydrophobicContact CD1-CD1 4.01Å; I588-L636 HydrophobicContact CG2-CD2 3.95Å; I588-L636 HydrophobicContact CG2-CG 4.47Å; I588-L639 HydrophobicContact CG2-CD1 3.66Å
589K87.5Confident89.9Confident191 Ų19164.8 Ų64.883%0.8336%0.355SS*.G310 helixtrans-68.3-30.3-177.5-66.5-176177.8-177.50112.8S587S587-K589 PolarHBondContact O-N 2.77Å; S587-K589 PolarHBondContact OG-N 2.85Å
590D87.5Confident90Very high110 Ų11066.4 Ų66.459%0.58836%0.362SS*.G310 helixtrans-985.7-170.2-46.2-63.3000111.6P585 S587 I588P585-D590 HydrophobicContact CB-CB 4.26Å; S587-D590 WeakPolarHBondContact CB-OD2 3.48Å; S587-D590 PolarHBondContact O-N 2.95Å; S587-D590 PolarHBondContact OG-OD2 3.49Å; I588-D590 VanDerWaalsContact C-N 3.29Å; I588-D590 PolarHBondContact O-N 3.42Å
591M88.8Confident90.2Very high11 Ų1164.8 Ų64.85%0.05435%0.348CS..  trans-88.4130.6177.3-51.4-170.481.100110.9L584 P585 S587 Q595 L596 E599L584-M591 HydrophobicContact CB-CE 3.93Å; L584-M591 HydrophobicContact CD1-CE 4.47Å; L584-M591 HydrophobicContact CD2-CE 3.92Å; L584-M591 HydrophobicContact CG-CE 4.33Å; P585-M591 HydrophobicContact CB-CG 4.22Å; P585-M591 HydrophobicContact CG-CG 4.49Å; S587-M591 VanDerWaalsContact O-CG 3.3Å; S587-M591 WeakPolarHBondContact O-CG 3.46Å; M591-Q595 HydrophobicContact CB-CB 4.03Å; M591-Q595 HydrophobicContact CE-CB 4.11Å; M591-L596 HydrophobicContact CB-CD2 3.78Å; M591-L596 HydrophobicContact CB-CG 3.87Å; M591-L596 HydrophobicContact CG-CD2 4.41Å; M591-L596 HydrophobicContact SD-CD2 4.26Å; M591-E599 HydrophobicContact CE-CB 3.71Å; M591-E599 HydrophobicContact CE-CG 4.2Å; M591-E599 HydrophobicContact SD-CB 4.22Å; M591-E599 HydrophobicContact SD-CG 4.21Å
592S91.2Very high90.4Very high59 Ų5960.8 Ų60.841%0.41333%0.332SS..  trans-64.5161.3171.981.10000112.2F594 Q595 L596S592-F594 PolarHBondContact O-N 3.14Å; S592-F594 VanDerWaalsContact O-N 3.13Å; S592-Q595 WeakPolarHBondContact O-CA 3.43Å; S592-Q595 WeakPolarHBondContact O-CB 3.31Å; S592-Q595 PolarHBondContact O-N 3.35Å; S592-Q595 WeakPolarHBondContact OG-CG 3.3Å; S592-Q595 PolarHBondContact OG-N 3.41Å; S592-L596 WeakPolarHBondContact O-CG 3.46Å; S592-L596 PolarHBondContact O-N 3.01Å
593H92Very high90.8Very high110 Ų11057.3 Ų57.351%0.50931%0.314SS..Hα-helixtrans-52.6-37.6178.1-176.1-98.9000113.3S597 L640H593-S597 PolarHBondContact O-N 2.93Å; H593-L640 WeakPolarHBondContact NE2-CD2 3.27Å
594F91.2Very high91.3Very high136 Ų13657.5 Ų57.560%0.59630%0.298SS*.Hα-helixtrans-65.3-49.5173.5177.4-111.4000111.8S592 L596 S597 M598S592-F594 PolarHBondContact O-N 3.14Å; S592-F594 VanDerWaalsContact O-N 3.13Å; F594-L596 PolarHBondContact O-N 2.96Å; F594-S597 WeakPolarHBondContact O-CA 3.37Å; F594-S597 WeakPolarHBondContact O-CB 3.34Å; F594-S597 PolarHBondContact O-N 3.34Å; F594-S597 PolarHBondContact O-OG 3.05Å; F594-M598 HydrophobicContact CD1-SD 3.93Å; F594-M598 HydrophobicContact CE1-CE 4.41Å; F594-M598 HydrophobicContact CE1-CG 4.32Å; F594-M598 HydrophobicContact CE1-SD 3.38Å; F594-M598 WeakPolarHBondContact CE1-SD 2.97Å; F594-M598 HydrophobicContact CZ-CE 4.45Å; F594-M598 HydrophobicContact CZ-CG 4.29Å; F594-M598 HydrophobicContact CZ-SD 3.75Å; F594-M598 PolarHBondContact O-N 3.43Å; F594-M598 VanDerWaalsContact O-N 3.15Å
595Q93Very high91.6Very high46 Ų4663.3 Ų63.322%0.21532%0.323CS..Hα-helixtrans-61.8-40179.1-69175.7-34.400112.5L584 M591 S592 S597 M598 E599L584-Q595 HydrophobicContact CD2-CB 3.59Å; L584-Q595 HydrophobicContact CD2-CG 3.54Å; M591-Q595 HydrophobicContact CB-CB 4.03Å; M591-Q595 HydrophobicContact CE-CB 4.11Å; S592-Q595 WeakPolarHBondContact O-CA 3.43Å; S592-Q595 WeakPolarHBondContact O-CB 3.31Å; S592-Q595 PolarHBondContact O-N 3.35Å; S592-Q595 WeakPolarHBondContact OG-CG 3.3Å; S592-Q595 PolarHBondContact OG-N 3.41Å; Q595-S597 PolarHBondContact O-N 3.14Å; Q595-M598 PolarHBondContact O-N 2.83Å; Q595-M598 VanDerWaalsContact O-N 3.15Å; Q595-E599 PolarHBondContact O-N 2.99Å
596L94.1Very high92Very high14 Ų1461.7 Ų61.77%0.07331%0.312CS..Hα-helixtrans-56.8-38.1172-70.7171.5000111.6I588 M591 S592 F594 K600 L636 L639 L640I588-L596 HydrophobicContact CG2-CD2 3.66Å; M591-L596 HydrophobicContact CB-CD2 3.78Å; M591-L596 HydrophobicContact CB-CG 3.87Å; M591-L596 HydrophobicContact CG-CD2 4.41Å; M591-L596 HydrophobicContact SD-CD2 4.26Å; S592-L596 WeakPolarHBondContact O-CG 3.46Å; S592-L596 PolarHBondContact O-N 3.01Å; F594-L596 PolarHBondContact O-N 2.96Å; L596-K600 WeakPolarHBondContact O-CB 3.3Å; L596-K600 PolarHBondContact O-N 2.7Å; L596-L636 HydrophobicContact CB-CD2 4.46Å; L596-L636 HydrophobicContact CD2-CD2 3.65Å; L596-L639 HydrophobicContact CD1-CB 4.18Å; L596-L639 HydrophobicContact CD2-CD1 4.21Å; L596-L640 HydrophobicContact CB-CD1 4.38Å; L596-L640 HydrophobicContact CB-CD2 3.77Å; L596-L640 HydrophobicContact CB-CG 4.08Å
597S92.9Very high92.5Very high42 Ų4258 Ų5829%0.29429%0.292SS..Hα-helixtrans-70.6-34.5177.384.80000113H593 F594 Q595 T601H593-S597 PolarHBondContact O-N 2.93Å; F594-S597 WeakPolarHBondContact O-CA 3.37Å; F594-S597 WeakPolarHBondContact O-CB 3.34Å; F594-S597 PolarHBondContact O-N 3.34Å; F594-S597 PolarHBondContact O-OG 3.05Å; Q595-S597 PolarHBondContact O-N 3.14Å; S597-T601 PolarHBondContact O-N 3.23Å; S597-T601 VanDerWaalsContact O-N 3.12Å; S597-T601 PolarHBondContact O-OG1 3.49Å
598M92.1Very high92.9Very high54 Ų5461 Ų6127%0.26630%0.304SS..Hα-helixtrans-69.4-50.6175.5-61179.385.200111.1L582 F594 Q595 K600 T601 C602L582-M598 HydrophobicContact CD1-CE 3.95Å; L582-M598 HydrophobicContact CD2-CE 4.26Å; F594-M598 HydrophobicContact CD1-SD 3.93Å; F594-M598 HydrophobicContact CE1-CE 4.41Å; F594-M598 HydrophobicContact CE1-CG 4.32Å; F594-M598 HydrophobicContact CE1-SD 3.38Å; F594-M598 WeakPolarHBondContact CE1-SD 2.97Å; F594-M598 HydrophobicContact CZ-CE 4.45Å; F594-M598 HydrophobicContact CZ-CG 4.29Å; F594-M598 HydrophobicContact CZ-SD 3.75Å; F594-M598 PolarHBondContact O-N 3.43Å; F594-M598 VanDerWaalsContact O-N 3.15Å; Q595-M598 PolarHBondContact O-N 2.83Å; Q595-M598 VanDerWaalsContact O-N 3.15Å; M598-K600 VanDerWaalsContact C-N 3.34Å; M598-K600 PolarHBondContact O-N 2.98Å; M598-T601 WeakPolarHBondContact O-CA 3.34Å; M598-T601 WeakPolarHBondContact O-CB 3.21Å; M598-T601 PolarHBondContact O-N 3.07Å; M598-C602 PolarHBondContact O-N 3.19Å; M598-C602 PolarHBondContact O-SG 2.84Å; M598-C602 VanDerWaalsContact O-SG 3.39Å
599E94.3Very high93.1Very high2 Ų263.6 Ų63.61%0.00931%0.313CS..Hα-helixtrans-59.7-42.4176.5170.473.6-178.300111.2R579 M591 Q595 T601 C602 M603 R632 L636R579-E599 IonicContact CZ-OE1 3.48Å; R579-E599 IonicContact CZ-OE2 2.7Å; R579-E599 IonicContact NE-OE1 2.67Å; R579-E599 PolarHBondContact NE-OE1 3.42Å; R579-E599 IonicContact NE-OE2 2.71Å; R579-E599 PolarHBondContact NE-OE2 2.74Å; R579-E599 IonicContact NH2-OE1 3.62Å; R579-E599 PolarHBondContact NH2-OE1 2.96Å; R579-E599 IonicContact NH2-OE2 3.51Å; M591-E599 HydrophobicContact CE-CB 3.71Å; M591-E599 HydrophobicContact CE-CG 4.2Å; M591-E599 HydrophobicContact SD-CB 4.22Å; M591-E599 HydrophobicContact SD-CG 4.21Å; Q595-E599 PolarHBondContact O-N 2.99Å; E599-T601 VanDerWaalsContact C-N 3.28Å; E599-T601 PolarHBondContact O-N 3.35Å; E599-C602 PolarHBondContact O-N 3.35Å; E599-M603 VanDerWaalsContact O-CB 3.29Å; E599-M603 WeakPolarHBondContact O-CB 3.31Å; E599-M603 PolarHBondContact O-N 3.45Å; E599-R632 IonicContact OE1-CZ 3.67Å; E599-R632 IonicContact OE1-NE 3.33Å; E599-R632 PolarHBondContact OE1-NE 2.92Å; E599-R632 IonicContact OE1-NH2 2.78Å; E599-R632 PolarHBondContact OE1-NH2 2.89Å; E599-R632 VanDerWaalsContact OE1-NH2 3.16Å; E599-L636 HydrophobicContact CB-CD2 4.2Å; E599-L636 HydrophobicContact CG-CD1 3.62Å; E599-L636 HydrophobicContact CG-CD2 3.76Å; E599-L636 HydrophobicContact CG-CG 4.35Å
600K95.2Very high93.4Very high60 Ų6054.5 Ų54.526%0.26127%0.273SS..Hα-helixtrans-54.6-44171.1172.8-179.8162-169.10111.9L596 M598 M603 Q604 Y633 L636 L640L596-K600 WeakPolarHBondContact O-CB 3.3Å; L596-K600 PolarHBondContact O-N 2.7Å; M598-K600 VanDerWaalsContact C-N 3.34Å; M598-K600 PolarHBondContact O-N 2.98Å; K600-M603 PolarHBondContact O-N 3.16Å; K600-Q604 VanDerWaalsContact O-CG 3.31Å; K600-Q604 WeakPolarHBondContact O-CG 3.4Å; K600-Q604 PolarHBondContact O-N 2.55Å; K600-Y633 HydrophobicContact CG-CD2 4.44Å; K600-Y633 HydrophobicContact CG-CE2 3.98Å; K600-L636 HydrophobicContact CB-CB 4.31Å; K600-L640 HydrophobicContact CB-CD1 4.16Å; K600-L640 HydrophobicContact CD-CD1 3.39Å; K600-L640 HydrophobicContact CG-CD1 4.41Å
601T94.8Very high93.7Very high60 Ų6052.3 Ų52.337%0.36826%0.259SS..Hα-helixtrans-69.5-40.7-179.6-580000111.6S597 M598 E599 Q604 K605S597-T601 PolarHBondContact O-N 3.23Å; S597-T601 VanDerWaalsContact O-N 3.12Å; S597-T601 PolarHBondContact O-OG1 3.49Å; M598-T601 WeakPolarHBondContact O-CA 3.34Å; M598-T601 WeakPolarHBondContact O-CB 3.21Å; M598-T601 PolarHBondContact O-N 3.07Å; E599-T601 VanDerWaalsContact C-N 3.28Å; E599-T601 PolarHBondContact O-N 3.35Å; T601-Q604 PolarHBondContact O-N 3.49Å; T601-K605 HydrophobicContact CG2-CD 4.47Å; T601-K605 WeakPolarHBondContact O-CG 3.48Å; T601-K605 PolarHBondContact O-N 3.47Å
602C94.2Very high93.9Very high22 Ų2255.1 Ų55.115%0.14929%0.291CS..Hα-helixtrans-63.6-42.5173.8-66.80000111.8L575 M598 E599 K605 C606L575-C602 HydrophobicContact CD2-CB 4.17Å; M598-C602 PolarHBondContact O-N 3.19Å; M598-C602 PolarHBondContact O-SG 2.84Å; M598-C602 VanDerWaalsContact O-SG 3.39Å; E599-C602 PolarHBondContact O-N 3.35Å; C602-K605 PolarHBondContact O-N 2.97Å; C602-C606 PolarHBondContact O-N 3.4Å; C602-C606 PolarHBondContact O-SG 3.28Å
603M95.6Very high93.7Very high1 Ų155.9 Ų55.91%0.00529%0.29CS..Hα-helixtrans-62.9-44.7175.7-168.56165.900111.9L575 E599 K600 K605 C606 L607 F629 R632 Y633L575-M603 HydrophobicContact CD1-CE 3.71Å; L575-M603 HydrophobicContact CD1-SD 3.85Å; L575-M603 HydrophobicContact CD2-CE 4.17Å; E599-M603 VanDerWaalsContact O-CB 3.29Å; E599-M603 WeakPolarHBondContact O-CB 3.31Å; E599-M603 PolarHBondContact O-N 3.45Å; K600-M603 PolarHBondContact O-N 3.16Å; M603-K605 PolarHBondContact O-N 3.38Å; M603-C606 PolarHBondContact O-N 3.31Å; M603-L607 HydrophobicContact CG-CD1 4.09Å; M603-L607 WeakPolarHBondContact O-CB 3.38Å; M603-L607 WeakPolarHBondContact O-CG 3.43Å; M603-L607 PolarHBondContact O-N 3.35Å; M603-F629 HydrophobicContact CE-CD1 4.42Å; M603-F629 HydrophobicContact SD-CB 3.78Å; M603-F629 HydrophobicContact SD-CD1 3.97Å; M603-F629 HydrophobicContact SD-CG 4.37Å; M603-R632 HydrophobicContact CE-CB 4.23Å; M603-R632 HydrophobicContact CE-CG 3.92Å; M603-Y633 HydrophobicContact CG-CD2 4.31Å; M603-Y633 HydrophobicContact CG-CG 4.44Å
604Q95.9Very high93.4Very high66 Ų6652.6 Ų52.631%0.30828%0.275SS..Hα-helixtrans-58.4-46.5173.6-76.1175.3-21.400112.2K600 T601 C606 L607 L608 Y633K600-Q604 VanDerWaalsContact O-CG 3.31Å; K600-Q604 WeakPolarHBondContact O-CG 3.4Å; K600-Q604 PolarHBondContact O-N 2.55Å; T601-Q604 PolarHBondContact O-N 3.49Å; Q604-C606 VanDerWaalsContact C-N 3.28Å; Q604-C606 PolarHBondContact O-N 2.98Å; Q604-L607 PolarHBondContact O-N 3.33Å; Q604-L608 WeakPolarHBondContact O-CB 3.45Å; Q604-L608 VanDerWaalsContact O-CG 3.32Å; Q604-L608 WeakPolarHBondContact O-CG 3.22Å; Q604-L608 PolarHBondContact O-N 2.95Å; Q604-Y633 HydrophobicContact CG-CD2 4.22Å; Q604-Y633 HydrophobicContact CG-CE2 3.46Å; Q604-Y633 VanDerWaalsContact CG-CE2 3.46Å; Q604-Y633 PolarHBondContact NE2-OH 2.94Å
605K95.5Very high93.3Very high134 Ų13447.6 Ų47.658%0.58326%0.262SS*.Hα-helixtrans-59.4-37.8177.1-73.5171.9179.11790112.1T601 C602 M603 Y609T601-K605 HydrophobicContact CG2-CD 4.47Å; T601-K605 WeakPolarHBondContact O-CG 3.48Å; T601-K605 PolarHBondContact O-N 3.47Å; C602-K605 PolarHBondContact O-N 2.97Å; M603-K605 PolarHBondContact O-N 3.38Å; K605-Y609 WeakPolarHBondContact O-CB 3.34Å; K605-Y609 PolarHBondContact O-N 3.15Å; K605-Y609 VanDerWaalsContact O-N 3.12Å
606C94.9Very high93.1Very high7 Ų754 Ų545%0.04728%0.284CS..Hα-helixtrans-76.4-39179.1-640000113.3I571 L575 C602 M603 Q604 Y609 F610I571-C606 HydrophobicContact CG1-CB 4.5Å; I571-C606 HydrophobicContact CG2-CB 3.83Å; L575-C606 HydrophobicContact CD1-CB 4.36Å; L575-C606 HydrophobicContact CD2-CB 4.42Å; L575-C606 HydrophobicContact CG-CB 4.4Å; C602-C606 PolarHBondContact O-N 3.4Å; C602-C606 PolarHBondContact O-SG 3.28Å; M603-C606 PolarHBondContact O-N 3.31Å; Q604-C606 VanDerWaalsContact C-N 3.28Å; Q604-C606 PolarHBondContact O-N 2.98Å; C606-Y609 WeakPolarHBondContact O-CB 3.43Å; C606-Y609 PolarHBondContact O-N 3.42Å; C606-F610 PolarHBondContact O-N 2.9Å
607L95.4Very high92.7Very high16 Ų1654.3 Ų54.38%0.08429%0.287CS..Hα-helixtrans-64.8-39.7174.5-72171.7000111.9M603 Q604 F610 E611 M626 F629 Y630 Y633M603-L607 HydrophobicContact CG-CD1 4.09Å; M603-L607 WeakPolarHBondContact O-CB 3.38Å; M603-L607 WeakPolarHBondContact O-CG 3.43Å; M603-L607 PolarHBondContact O-N 3.35Å; Q604-L607 PolarHBondContact O-N 3.33Å; L607-F610 WeakPolarHBondContact O-CB 3.49Å; L607-F610 PolarHBondContact O-N 3.02Å; L607-E611 PolarHBondContact O-N 2.82Å; L607-M626 HydrophobicContact CD2-SD 4.35Å; L607-F629 HydrophobicContact CD2-CB 3.81Å; L607-Y630 HydrophobicContact CD1-CD1 3.98Å; L607-Y630 HydrophobicContact CD1-CE1 4.01Å; L607-Y630 HydrophobicContact CD2-CD1 4.03Å; L607-Y630 HydrophobicContact CD2-CE1 3.73Å; L607-Y630 HydrophobicContact CD2-CE2 4.44Å; L607-Y630 HydrophobicContact CD2-CG 4.49Å; L607-Y630 HydrophobicContact CG-CE1 4.4Å; L607-Y633 HydrophobicContact CD1-CD1 4.34Å; L607-Y633 HydrophobicContact CD1-CG 4.13Å
608L95.3Very high92.3Very high114 Ų11458.3 Ų58.360%0.59730%0.304SS*.Hα-helixtrans-67.9-34.9174.2-71.3169.7000112.5Q604 E611 G612Q604-L608 WeakPolarHBondContact O-CB 3.45Å; Q604-L608 VanDerWaalsContact O-CG 3.32Å; Q604-L608 WeakPolarHBondContact O-CG 3.22Å; Q604-L608 PolarHBondContact O-N 2.95Å; L608-E611 PolarHBondContact O-N 3.12Å; L608-G612 PolarHBondContact O-N 3.36Å
609Y93.4Very high92.1Very high80 Ų8058.8 Ų58.831%0.31431%0.31SS..Hα-helixtrans-63.7-39.8172.1174.9-105.6000111.8L570 I571 K605 C606 G612 L613L570-Y609 HydrophobicContact CD2-CE1 4.07Å; L570-Y609 WeakPolarHBondContact CD2-OH 3.22Å; I571-Y609 HydrophobicContact CD1-CD1 4.22Å; I571-Y609 HydrophobicContact CG1-CD1 4.05Å; I571-Y609 HydrophobicContact CG1-CE1 4.48Å; K605-Y609 WeakPolarHBondContact O-CB 3.34Å; K605-Y609 PolarHBondContact O-N 3.15Å; K605-Y609 VanDerWaalsContact O-N 3.12Å; C606-Y609 WeakPolarHBondContact O-CB 3.43Å; C606-Y609 PolarHBondContact O-N 3.42Å; Y609-G612 PolarHBondContact O-N 3.27Å; Y609-L613 HydrophobicContact CD1-CD1 4.43Å; Y609-L613 HydrophobicContact CE1-CD1 3.82Å; Y609-L613 HydrophobicContact CE2-CD1 3.96Å; Y609-L613 PolarHBondContact O-N 2.79Å
610F94.2Very high91.8Very high0 Ų069 Ų690%035%0.348CS..Hα-helixtrans-63.1-49.3171.6-173-84.8000111.9L564 T567 I571 C606 L607 G612 L613 H614 P617 Q622 M626L564-F610 HydrophobicContact CD1-CE2 3.65Å; L564-F610 HydrophobicContact CD1-CZ 3.62Å; T567-F610 HydrophobicContact CG2-CD2 4.25Å; I571-F610 HydrophobicContact CD1-CB 3.82Å; I571-F610 HydrophobicContact CD1-CD2 4.01Å; I571-F610 HydrophobicContact CD1-CG 4.41Å; C606-F610 PolarHBondContact O-N 2.9Å; L607-F610 WeakPolarHBondContact O-CB 3.49Å; L607-F610 PolarHBondContact O-N 3.02Å; F610-G612 PolarHBondContact O-N 3.15Å; F610-L613 PolarHBondContact O-N 2.7Å; F610-L613 VanDerWaalsContact O-N 3.07Å; F610-H614 HydrophobicContact CD1-CB 4.2Å; F610-H614 HydrophobicContact CE1-CB 3.61Å; F610-H614 HydrophobicContact CE2-CB 4.16Å; F610-H614 AromaticContact CE2-CD2 3.74Å; F610-H614 HydrophobicContact CZ-CB 3.6Å; F610-H614 AromaticContact CZ-CG 3.89Å; F610-H614 PolarHBondContact O-N 3.2Å; F610-P617 HydrophobicContact CD1-CG 4.33Å; F610-P617 HydrophobicContact CE1-CG 3.78Å; F610-Q622 HydrophobicContact CZ-CG 4.48Å; F610-M626 HydrophobicContact CB-SD 4.12Å; F610-M626 HydrophobicContact CD1-CG 4.11Å; F610-M626 HydrophobicContact CD1-SD 3.97Å; F610-M626 HydrophobicContact CD2-CE 3.62Å; F610-M626 HydrophobicContact CD2-CG 4.19Å; F610-M626 HydrophobicContact CD2-SD 3.6Å; F610-M626 HydrophobicContact CE1-CG 3.91Å; F610-M626 HydrophobicContact CE1-SD 4.34Å; F610-M626 HydrophobicContact CE2-CE 3.86Å; F610-M626 HydrophobicContact CE2-CG 3.96Å; F610-M626 HydrophobicContact CE2-SD 3.98Å; F610-M626 HydrophobicContact CG-CE 4.23Å; F610-M626 HydrophobicContact CG-CG 4.26Å; F610-M626 HydrophobicContact CG-SD 3.6Å; F610-M626 VanDerWaalsContact CG-SD 3.6Å; F610-M626 HydrophobicContact CZ-CG 3.82Å; F610-M626 HydrophobicContact CZ-SD 4.33Å
611E93.2Very high91.5Very high65 Ų6571.3 Ų71.330%0.30436%0.36SS..Hα-helixtrans-61.3-32.5180-170.3170.4-167.200112L607 L608 G615 R616L607-E611 PolarHBondContact O-N 2.82Å; L608-E611 PolarHBondContact O-N 3.12Å; E611-G615 WeakPolarHBondContact O-CA 3.28Å; E611-G615 PolarHBondContact O-N 3.22Å; E611-G615 VanDerWaalsContact O-N 3.08Å; E611-R616 HydrophobicContact CG-CG 4.24Å; E611-R616 VanDerWaalsContact OE1-CG 3.26Å; E611-R616 WeakPolarHBondContact OE1-CG 3.35Å; E611-R616 IonicContact OE1-CZ 3.89Å; E611-R616 IonicContact OE1-NE 2.77Å; E611-R616 PolarHBondContact OE1-NE 3.29Å; E611-R616 IonicContact OE1-NH2 4Å; E611-R616 PolarHBondContact OE1-NH2 2.73Å; E611-R616 VanDerWaalsContact OE1-NH2 3.16Å
612G92.9Very high91.3Very high70 Ų7069.5 Ų69.572%0.72235%0.347SS*.Hα-helixtrans-71.4-21.9174.700000115.6L608 Y609 F610L608-G612 PolarHBondContact O-N 3.36Å; Y609-G612 PolarHBondContact O-N 3.27Å; F610-G612 PolarHBondContact O-N 3.15Å
613L88.4Confident91.2Very high74 Ų7475.8 Ų75.839%0.38737%0.368SS..Hα-helixtrans-100.5-49.6178.7-70.4177.4000112.9T567 Y609 F610T567-L613 HydrophobicContact CG2-CD1 4.02Å; Y609-L613 HydrophobicContact CD1-CD1 4.43Å; Y609-L613 HydrophobicContact CE1-CD1 3.82Å; Y609-L613 HydrophobicContact CE2-CD1 3.96Å; Y609-L613 PolarHBondContact O-N 2.79Å; F610-L613 PolarHBondContact O-N 2.7Å; F610-L613 VanDerWaalsContact O-N 3.07Å
614H86Confident91.1Very high41 Ų4180 Ų8019%0.1939%0.394CS..Hα-helixtrans-106.6-5-171.2-68.9-83.6000113.6T567 F610T567-H614 WeakPolarHBondContact CB-NE2 2.96Å; T567-H614 PolarHBondContact OG1-NE2 2.74Å; F610-H614 HydrophobicContact CD1-CB 4.2Å; F610-H614 HydrophobicContact CE1-CB 3.61Å; F610-H614 HydrophobicContact CE2-CB 4.16Å; F610-H614 AromaticContact CE2-CD2 3.74Å; F610-H614 HydrophobicContact CZ-CB 3.6Å; F610-H614 AromaticContact CZ-CG 3.89Å; F610-H614 PolarHBondContact O-N 3.2Å
615G88.6Confident91Very high31 Ų3178.3 Ų78.332%0.3239%0.387SS..  trans70-164.3-16800000112.2E611E611-G615 WeakPolarHBondContact O-CA 3.28Å; E611-G615 PolarHBondContact O-N 3.22Å; E611-G615 VanDerWaalsContact O-N 3.08Å
616R88.2Confident90.9Very high180 Ų18072 Ų7268%0.67936%0.359SS*.SBendtrans-70.2141.3174.6-68-172.2173.9-154.7-12.4110.5E611 I618E611-R616 HydrophobicContact CG-CG 4.24Å; E611-R616 VanDerWaalsContact OE1-CG 3.26Å; E611-R616 WeakPolarHBondContact OE1-CG 3.35Å; E611-R616 IonicContact OE1-CZ 3.89Å; E611-R616 IonicContact OE1-NE 2.77Å; E611-R616 PolarHBondContact OE1-NE 3.29Å; E611-R616 IonicContact OE1-NH2 4Å; E611-R616 PolarHBondContact OE1-NH2 2.73Å; E611-R616 VanDerWaalsContact OE1-NH2 3.16Å; R616-I618 PolarHBondContact O-N 3.5Å
617P87.1Confident90.9Very high21 Ų2177.7 Ų77.714%0.13638%0.383CS..  trans-56.888.3174.7-3341000114.6F610 Q622 R623 M626 Y630F610-P617 HydrophobicContact CD1-CG 4.33Å; F610-P617 HydrophobicContact CE1-CG 3.78Å; P617-Q622 HydrophobicContact CB-CB 3.87Å; P617-R623 HydrophobicContact CB-CG 3.95Å; P617-R623 WeakPolarHBondContact O-CG 3.49Å; P617-M626 HydrophobicContact CG-CB 4Å; P617-M626 HydrophobicContact CG-CG 3.89Å; P617-Y630 HydrophobicContact CG-CE2 4.1Å
618I82.9Confident90.8Very high126 Ų12680.5 Ų80.565%0.64640%0.403SS*.  trans-89.6-37.2179.552171.6000112R616 R623R616-I618 PolarHBondContact O-N 3.5Å; I618-R623 PolarHBondContact O-NE 3.17Å; I618-R623 PolarHBondContact O-NH2 3.06Å
619T88.6Confident90.8Very high64 Ų6476 Ų7639%0.39338%0.378SS..SBendtrans-78.2157.2-179.680.80000111.9Q621 Q622 R623T619-Q621 VanDerWaalsContact C-N 3.3Å; T619-Q621 PolarHBondContact O-N 2.78Å; T619-Q622 PolarHBondContact O-N 2.93Å; T619-Q622 WeakPolarHBondContact OG1-CB 3.39Å; T619-Q622 VanDerWaalsContact OG1-CG 3.29Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.41Å; T619-Q622 PolarHBondContact OG1-N 3.47Å; T619-Q622 VanDerWaalsContact OG1-N 3.08Å; T619-R623 WeakPolarHBondContact O-CG 3.37Å; T619-R623 PolarHBondContact O-N 3.45Å
620R88.1Confident90.9Very high216 Ų21676.1 Ų76.182%0.81538%0.379SS*.Hα-helixtrans-59.4-41.4175.7-174.3177.8177.6-175.7-1.2111.4R623 T624R620-R623 PolarHBondContact O-N 2.85Å; R620-T624 PolarHBondContact O-N 3.21Å; R620-T624 PolarHBondContact O-OG1 3.48Å; R620-T624 VanDerWaalsContact O-OG1 3.1Å
621Q88.4Confident91Very high109 Ų10978.2 Ų78.251%0.50939%0.39SS..Hα-helixtrans-64.9-47.8177.8-171-177-2.800111.8L564 T619 R623 T624 L625L564-Q621 HydrophobicContact CD2-CB 4.3Å; L564-Q621 HydrophobicContact CD2-CG 3.86Å; T619-Q621 VanDerWaalsContact C-N 3.3Å; T619-Q621 PolarHBondContact O-N 2.78Å; Q621-R623 VanDerWaalsContact C-N 3.28Å; Q621-R623 PolarHBondContact O-N 2.98Å; Q621-T624 PolarHBondContact O-N 3.14Å; Q621-L625 HydrophobicContact CG-CD1 3.85Å; Q621-L625 HydrophobicContact CG-CG 4.49Å; Q621-L625 WeakPolarHBondContact O-CG 3.46Å; Q621-L625 PolarHBondContact O-N 3.39Å
622Q90.8Very high91Very high22 Ų2277.3 Ų77.310%0.10338%0.383CS..Hα-helixtrans-55.8-43.6174.4-74.2173.2-27.600111.5L564 F610 P617 T619 M626L564-Q622 HydrophobicContact CD1-CG 3.79Å; L564-Q622 HydrophobicContact CD2-CB 4.37Å; L564-Q622 HydrophobicContact CD2-CG 3.65Å; L564-Q622 HydrophobicContact CG-CG 4.39Å; F610-Q622 HydrophobicContact CZ-CG 4.48Å; P617-Q622 HydrophobicContact CB-CB 3.87Å; T619-Q622 PolarHBondContact O-N 2.93Å; T619-Q622 WeakPolarHBondContact OG1-CB 3.39Å; T619-Q622 VanDerWaalsContact OG1-CG 3.29Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.41Å; T619-Q622 PolarHBondContact OG1-N 3.47Å; T619-Q622 VanDerWaalsContact OG1-N 3.08Å; Q622-M626 VanDerWaalsContact O-CB 3.3Å; Q622-M626 WeakPolarHBondContact O-CB 3.1Å; Q622-M626 PolarHBondContact O-N 2.9Å
623R92Very high91.1Very high154 Ų15477 Ų7758%0.58136%0.361SS*.Hα-helixtrans-64.8-43.8177.6-73.6-175.6-108.6165-7.4112.5P617 I618 T619 R620 Q621 K627P617-R623 HydrophobicContact CB-CG 3.95Å; P617-R623 WeakPolarHBondContact O-CG 3.49Å; I618-R623 PolarHBondContact O-NE 3.17Å; I618-R623 PolarHBondContact O-NH2 3.06Å; T619-R623 WeakPolarHBondContact O-CG 3.37Å; T619-R623 PolarHBondContact O-N 3.45Å; R620-R623 PolarHBondContact O-N 2.85Å; Q621-R623 VanDerWaalsContact C-N 3.28Å; Q621-R623 PolarHBondContact O-N 2.98Å; R623-K627 WeakPolarHBondContact O-CB 3.5Å; R623-K627 PolarHBondContact O-N 3.1Å
624T93.9Very high91.5Very high89 Ų8980 Ų8055%0.54637%0.367SS..Hα-helixtrans-60.3-47.8176.2-60.70000111.6R620 Q621 K627R620-T624 PolarHBondContact O-N 3.21Å; R620-T624 PolarHBondContact O-OG1 3.48Å; R620-T624 VanDerWaalsContact O-OG1 3.1Å; Q621-T624 PolarHBondContact O-N 3.14Å; T624-K627 WeakPolarHBondContact O-CB 3.23Å; T624-K627 PolarHBondContact O-N 2.97Å
625L93Very high91.8Very high32 Ų3281.8 Ų81.817%0.16838%0.378CS..Hα-helixtrans-73.4-33.9-175.9-64.4170.6000113.1L564 E565 V568 Q621 P628 F629L564-L625 HydrophobicContact CD2-CD1 3.76Å; L564-L625 HydrophobicContact CG-CD1 3.81Å; E565-L625 WeakPolarHBondContact OE1-CD2 3.44Å; E565-L625 WeakPolarHBondContact OE2-CD1 3.28Å; V568-L625 HydrophobicContact CG1-CB 4.45Å; V568-L625 HydrophobicContact CG2-CB 3.8Å; V568-L625 HydrophobicContact CG2-CD1 4.29Å; Q621-L625 HydrophobicContact CG-CD1 3.85Å; Q621-L625 HydrophobicContact CG-CG 4.49Å; Q621-L625 WeakPolarHBondContact O-CG 3.46Å; Q621-L625 PolarHBondContact O-N 3.39Å; L625-P628 WeakPolarHBondContact O-CD 3.43Å; L625-F629 WeakPolarHBondContact O-CE2 3.38Å
626M94.8Very high92.1Very high0 Ų080.3 Ų80.30%036%0.362CS..Hα-helixtrans-81.3-16.6175.4-75.2-72.2108.800114V568 I571 L607 F610 P617 Q622 F629 Y630V568-M626 HydrophobicContact CB-CE 4.39Å; V568-M626 HydrophobicContact CG1-CE 4.49Å; V568-M626 HydrophobicContact CG2-CE 3.65Å; I571-M626 HydrophobicContact CD1-CE 4.32Å; L607-M626 HydrophobicContact CD2-SD 4.35Å; F610-M626 HydrophobicContact CB-SD 4.12Å; F610-M626 HydrophobicContact CD1-CG 4.11Å; F610-M626 HydrophobicContact CD1-SD 3.97Å; F610-M626 HydrophobicContact CD2-CE 3.62Å; F610-M626 HydrophobicContact CD2-CG 4.19Å; F610-M626 HydrophobicContact CD2-SD 3.6Å; F610-M626 HydrophobicContact CE1-CG 3.91Å; F610-M626 HydrophobicContact CE1-SD 4.34Å; F610-M626 HydrophobicContact CE2-CE 3.86Å; F610-M626 HydrophobicContact CE2-CG 3.96Å; F610-M626 HydrophobicContact CE2-SD 3.98Å; F610-M626 HydrophobicContact CG-CE 4.23Å; F610-M626 HydrophobicContact CG-CG 4.26Å; F610-M626 HydrophobicContact CG-SD 3.6Å; F610-M626 VanDerWaalsContact CG-SD 3.6Å; F610-M626 HydrophobicContact CZ-CG 3.82Å; F610-M626 HydrophobicContact CZ-SD 4.33Å; P617-M626 HydrophobicContact CG-CB 4Å; P617-M626 HydrophobicContact CG-CG 3.89Å; Q622-M626 VanDerWaalsContact O-CB 3.3Å; Q622-M626 WeakPolarHBondContact O-CB 3.1Å; Q622-M626 PolarHBondContact O-N 2.9Å; M626-F629 HydrophobicContact CE-CD2 3.67Å; M626-F629 HydrophobicContact CE-CE2 3.7Å; M626-F629 PolarHBondContact O-N 2.78Å; M626-F629 HydrophobicContact SD-CD2 4.15Å; M626-Y630 HydrophobicContact CB-CD2 3.98Å; M626-Y630 HydrophobicContact CB-CE2 3.68Å; M626-Y630 WeakPolarHBondContact O-CD2 3.43Å; M626-Y630 PolarHBondContact O-N 3.02Å
627K93.6Very high92.4Very high127 Ų12777.4 Ų77.455%0.55236%0.355SS*.Hα-helixtrans-47.7-53.4179.2-178.4176.5175.8-173.30114.2R623 T624 F629 Y630 D631R623-K627 WeakPolarHBondContact O-CB 3.5Å; R623-K627 PolarHBondContact O-N 3.1Å; T624-K627 WeakPolarHBondContact O-CB 3.23Å; T624-K627 PolarHBondContact O-N 2.97Å; K627-F629 VanDerWaalsContact C-N 3.26Å; K627-F629 PolarHBondContact O-N 3.21Å; K627-Y630 PolarHBondContact O-N 3.5Å; K627-Y630 VanDerWaalsContact O-N 3.16Å; K627-D631 WeakPolarHBondContact CE-OD2 3.4Å; K627-D631 WeakPolarHBondContact CG-OD2 3.43Å; K627-D631 WeakPolarHBondContact O-CB 3.46Å; K627-D631 PolarHBondContact O-N 2.84Å
628P94.4Very high92.7Very high76 Ų7681.8 Ų81.849%0.49437%0.373SS..Hα-helixtrans-59-34-177.520.8-33.6000113.7L625 R632L625-P628 WeakPolarHBondContact O-CD 3.43Å; P628-R632 VanDerWaalsContact O-CB 3.23Å; P628-R632 WeakPolarHBondContact O-CB 3.48Å; P628-R632 PolarHBondContact O-N 3.32Å
629F95Very high93.1Very high18 Ų1879.3 Ų79.38%0.07936%0.361CS..Hα-helixtrans-71.9-40.9177.6-52.7-81.1000111.8V568 I571 T572 L575 M603 L607 L625 M626 K627 Y633V568-F629 HydrophobicContact CG1-CE2 4.02Å; V568-F629 HydrophobicContact CG1-CZ 4.25Å; I571-F629 HydrophobicContact CG2-CD1 3.97Å; I571-F629 HydrophobicContact CG2-CE1 3.68Å; I571-F629 HydrophobicContact CG2-CZ 4.13Å; T572-F629 WeakPolarHBondContact OG1-CZ 3.48Å; L575-F629 HydrophobicContact CD1-CD1 3.66Å; L575-F629 HydrophobicContact CD1-CE1 3.77Å; M603-F629 HydrophobicContact CE-CD1 4.42Å; M603-F629 HydrophobicContact SD-CB 3.78Å; M603-F629 HydrophobicContact SD-CD1 3.97Å; M603-F629 HydrophobicContact SD-CG 4.37Å; L607-F629 HydrophobicContact CD2-CB 3.81Å; L625-F629 WeakPolarHBondContact O-CE2 3.38Å; M626-F629 HydrophobicContact CE-CD2 3.67Å; M626-F629 HydrophobicContact CE-CE2 3.7Å; M626-F629 PolarHBondContact O-N 2.78Å; M626-F629 HydrophobicContact SD-CD2 4.15Å; K627-F629 VanDerWaalsContact C-N 3.26Å; K627-F629 PolarHBondContact O-N 3.21Å; F629-Y633 VanDerWaalsContact O-CB 3.22Å; F629-Y633 WeakPolarHBondContact O-CB 3.38Å; F629-Y633 PolarHBondContact O-N 3.04Å
630Y95.4Very high93.2Very high84 Ų8477.3 Ų77.333%0.32935%0.348SS..Hα-helixtrans-69.9-37.9174.6-71-60.2000113.2L607 P617 M626 K627 Y633 R634L607-Y630 HydrophobicContact CD1-CD1 3.98Å; L607-Y630 HydrophobicContact CD1-CE1 4.01Å; L607-Y630 HydrophobicContact CD2-CD1 4.03Å; L607-Y630 HydrophobicContact CD2-CE1 3.73Å; L607-Y630 HydrophobicContact CD2-CE2 4.44Å; L607-Y630 HydrophobicContact CD2-CG 4.49Å; L607-Y630 HydrophobicContact CG-CE1 4.4Å; P617-Y630 HydrophobicContact CG-CE2 4.1Å; M626-Y630 HydrophobicContact CB-CD2 3.98Å; M626-Y630 HydrophobicContact CB-CE2 3.68Å; M626-Y630 WeakPolarHBondContact O-CD2 3.43Å; M626-Y630 PolarHBondContact O-N 3.02Å; K627-Y630 PolarHBondContact O-N 3.5Å; K627-Y630 VanDerWaalsContact O-N 3.16Å; Y630-Y633 PolarHBondContact O-N 3.3Å; Y630-R634 WeakPolarHBondContact O-CB 3.28Å; Y630-R634 PolarHBondContact O-N 3.44Å
631D95.3Very high93Very high43 Ų4370.3 Ų70.323%0.2333%0.332CS..Hα-helixtrans-66.6-45175.8-75.6-25.2000110.5K627 Y633 R634 L635K627-D631 WeakPolarHBondContact CE-OD2 3.4Å; K627-D631 WeakPolarHBondContact CG-OD2 3.43Å; K627-D631 WeakPolarHBondContact O-CB 3.46Å; K627-D631 PolarHBondContact O-N 2.84Å; D631-Y633 PolarHBondContact O-N 2.99Å; D631-R634 PolarHBondContact O-N 2.92Å; D631-R634 IonicContact OD1-CZ 3.15Å; D631-R634 IonicContact OD1-NH1 3.33Å; D631-R634 PolarHBondContact OD1-NH1 2.84Å; D631-R634 IonicContact OD1-NH2 2.63Å; D631-R634 PolarHBondContact OD1-NH2 3.43Å; D631-L635 WeakPolarHBondContact O-CG 3.2Å; D631-L635 PolarHBondContact O-N 3.17Å
632R93.8Very high92.4Very high46 Ų4667.9 Ų67.917%0.17433%0.327CS..Hα-helixtrans-60.7-44.1172.5-174.3157.4179.9124.52111.9D586 I588 E599 M603 P628 R634 L635 L636D586-R632 VanDerWaalsContact O-CZ 3.3Å; D586-R632 PolarHBondContact O-NH1 3.45Å; D586-R632 PolarHBondContact O-NH2 3.31Å; I588-R632 HydrophobicContact CD1-CG 3.79Å; I588-R632 HydrophobicContact CG1-CG 4.44Å; E599-R632 IonicContact OE1-CZ 3.67Å; E599-R632 IonicContact OE1-NE 3.33Å; E599-R632 PolarHBondContact OE1-NE 2.92Å; E599-R632 IonicContact OE1-NH2 2.78Å; E599-R632 PolarHBondContact OE1-NH2 2.89Å; E599-R632 VanDerWaalsContact OE1-NH2 3.16Å; M603-R632 HydrophobicContact CE-CB 4.23Å; M603-R632 HydrophobicContact CE-CG 3.92Å; P628-R632 VanDerWaalsContact O-CB 3.23Å; P628-R632 WeakPolarHBondContact O-CB 3.48Å; P628-R632 PolarHBondContact O-N 3.32Å; R632-R634 PolarHBondContact O-N 3.44Å; R632-L635 PolarHBondContact O-N 3.43Å; R632-L636 HydrophobicContact CG-CD1 4.03Å; R632-L636 WeakPolarHBondContact O-CD1 3.49Å; R632-L636 WeakPolarHBondContact O-CG 3.47Å; R632-L636 PolarHBondContact O-N 3.32Å
633Y95.9Very high91.1Very high63 Ų6369.2 Ų69.225%0.24734%0.342CS..Hα-helixtrans-61.8-39.3174.3179.1-115.7000113.3K600 M603 Q604 L607 F629 Y630 D631 L636 K637K600-Y633 HydrophobicContact CG-CD2 4.44Å; K600-Y633 HydrophobicContact CG-CE2 3.98Å; M603-Y633 HydrophobicContact CG-CD2 4.31Å; M603-Y633 HydrophobicContact CG-CG 4.44Å; Q604-Y633 HydrophobicContact CG-CD2 4.22Å; Q604-Y633 HydrophobicContact CG-CE2 3.46Å; Q604-Y633 VanDerWaalsContact CG-CE2 3.46Å; Q604-Y633 PolarHBondContact NE2-OH 2.94Å; L607-Y633 HydrophobicContact CD1-CD1 4.34Å; L607-Y633 HydrophobicContact CD1-CG 4.13Å; F629-Y633 VanDerWaalsContact O-CB 3.22Å; F629-Y633 WeakPolarHBondContact O-CB 3.38Å; F629-Y633 PolarHBondContact O-N 3.04Å; Y630-Y633 PolarHBondContact O-N 3.3Å; D631-Y633 PolarHBondContact O-N 2.99Å; Y633-L636 PolarHBondContact O-N 3.3Å; Y633-K637 WeakPolarHBondContact O-CB 3.38Å; Y633-K637 PolarHBondContact O-N 3.03Å
634R95.4Very high89.4Confident138 Ų13866.1 Ų66.152%0.52134%0.344SS..Hα-helixtrans-66.1-43177.2-173173.767-104.3-6111.2Y630 D631 R632 K637 Q638Y630-R634 WeakPolarHBondContact O-CB 3.28Å; Y630-R634 PolarHBondContact O-N 3.44Å; D631-R634 PolarHBondContact O-N 2.92Å; D631-R634 IonicContact OD1-CZ 3.15Å; D631-R634 IonicContact OD1-NH1 3.33Å; D631-R634 PolarHBondContact OD1-NH1 2.84Å; D631-R634 IonicContact OD1-NH2 2.63Å; D631-R634 PolarHBondContact OD1-NH2 3.43Å; R632-R634 PolarHBondContact O-N 3.44Å; R634-K637 PolarHBondContact O-N 3.16Å; R634-Q638 WeakPolarHBondContact O-CB 3.5Å; R634-Q638 PolarHBondContact O-N 3.25Å
635L93.6Very high87.4Confident78 Ų7866.4 Ų66.441%0.40835%0.345SS..Hα-helixtrans-61.3-46.4174.3-69.7169.5000111.7I588 D631 R632 K637 Q638 L639I588-L635 HydrophobicContact CD1-CB 4.29Å; I588-L635 HydrophobicContact CD1-CD1 4.01Å; D631-L635 WeakPolarHBondContact O-CG 3.2Å; D631-L635 PolarHBondContact O-N 3.17Å; R632-L635 PolarHBondContact O-N 3.43Å; L635-K637 VanDerWaalsContact C-N 3.34Å; L635-K637 PolarHBondContact O-N 2.96Å; L635-Q638 PolarHBondContact O-N 3.37Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3.13Å
636L94.4Very high85.5Confident0 Ų068.3 Ų68.30%037%0.366CS..Hα-helixtrans-59.4-42.9175.3-69.7159.6000111.9I588 L596 E599 K600 R632 Y633 L640I588-L636 HydrophobicContact CG2-CD2 3.95Å; I588-L636 HydrophobicContact CG2-CG 4.47Å; L596-L636 HydrophobicContact CB-CD2 4.46Å; L596-L636 HydrophobicContact CD2-CD2 3.65Å; E599-L636 HydrophobicContact CB-CD2 4.2Å; E599-L636 HydrophobicContact CG-CD1 3.62Å; E599-L636 HydrophobicContact CG-CD2 3.76Å; E599-L636 HydrophobicContact CG-CG 4.35Å; K600-L636 HydrophobicContact CB-CB 4.31Å; R632-L636 HydrophobicContact CG-CD1 4.03Å; R632-L636 WeakPolarHBondContact O-CD1 3.49Å; R632-L636 WeakPolarHBondContact O-CG 3.47Å; R632-L636 PolarHBondContact O-N 3.32Å; Y633-L636 PolarHBondContact O-N 3.3Å; L636-L640 WeakPolarHBondContact O-CB 3.41Å; L636-L640 WeakPolarHBondContact O-CD1 3.11Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.27Å; L636-L640 PolarHBondContact O-N 2.66Å
637K93.4Very high82.9Confident119 Ų11972.4 Ų72.452%0.51740%0.4SS..Hα-helixtrans-62.7-44.3174.5-171.1-166.7173.2-1650111.3Y633 R634 L635 S641Y633-K637 WeakPolarHBondContact O-CB 3.38Å; Y633-K637 PolarHBondContact O-N 3.03Å; R634-K637 PolarHBondContact O-N 3.16Å; L635-K637 VanDerWaalsContact C-N 3.34Å; L635-K637 PolarHBondContact O-N 2.96Å; K637-S641 PolarHBondContact O-N 2.71Å; K637-S641 VanDerWaalsContact O-N 3.14Å; K637-S641 PolarHBondContact O-OG 3.14Å
638Q93.4Very high80.5Confident113 Ų11373.1 Ų73.153%0.52841%0.408SS..Hα-helixtrans-62.7-52-179-178.4175.8-15.200111.5R634 L635 L640 S641 S642R634-Q638 WeakPolarHBondContact O-CB 3.5Å; R634-Q638 PolarHBondContact O-N 3.25Å; L635-Q638 PolarHBondContact O-N 3.37Å; Q638-L640 VanDerWaalsContact C-N 3.34Å; Q638-L640 PolarHBondContact O-N 3.48Å; Q638-S641 CarbonylContact O-C 3.48Å; Q638-S641 WeakPolarHBondContact O-CA 3.2Å; Q638-S641 PolarHBondContact O-N 3.22Å; Q638-S642 PolarHBondContact O-N 3.22Å; Q638-S642 PolarHBondContact O-OG 3.08Å
639L90.9Very high77.7Confident74 Ų7475.2 Ų75.239%0.38742%0.42SS..Hα-helixtrans-60-41.8-178.9-68.1169.6000112.4I588 L596 L635 S641 S642 A643I588-L639 HydrophobicContact CG2-CD1 3.66Å; L596-L639 HydrophobicContact CD1-CB 4.18Å; L596-L639 HydrophobicContact CD2-CD1 4.21Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3.13Å; L639-S641 VanDerWaalsContact C-N 3.26Å; L639-S641 PolarHBondContact O-N 3.04Å; L639-S642 PolarHBondContact O-N 3.18Å; L639-A643 WeakPolarHBondContact O-CB 3.36Å; L639-A643 PolarHBondContact O-N 3.19Å
640L90.8Very high75Confident23 Ų2380.6 Ų80.612%0.1246%0.455CS..Hα-helixtrans-69-19.9175.6-68.8168.9000113.6H593 L596 K600 L636 Q638H593-L640 WeakPolarHBondContact NE2-CD2 3.27Å; L596-L640 HydrophobicContact CB-CD1 4.38Å; L596-L640 HydrophobicContact CB-CD2 3.77Å; L596-L640 HydrophobicContact CB-CG 4.08Å; K600-L640 HydrophobicContact CB-CD1 4.16Å; K600-L640 HydrophobicContact CD-CD1 3.39Å; K600-L640 HydrophobicContact CG-CD1 4.41Å; L636-L640 WeakPolarHBondContact O-CB 3.41Å; L636-L640 WeakPolarHBondContact O-CD1 3.11Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.27Å; L636-L640 PolarHBondContact O-N 2.66Å; Q638-L640 VanDerWaalsContact C-N 3.34Å; Q638-L640 PolarHBondContact O-N 3.48Å
641S84.6Confident72.4Confident68 Ų6883.9 Ų83.948%0.47648%0.476SS..Hα-helixtrans-87-37.8170.8-72.70000112.3K637 Q638 L639 S644 T645K637-S641 PolarHBondContact O-N 2.71Å; K637-S641 VanDerWaalsContact O-N 3.14Å; K637-S641 PolarHBondContact O-OG 3.14Å; Q638-S641 CarbonylContact O-C 3.48Å; Q638-S641 WeakPolarHBondContact O-CA 3.2Å; Q638-S641 PolarHBondContact O-N 3.22Å; L639-S641 VanDerWaalsContact C-N 3.26Å; L639-S641 PolarHBondContact O-N 3.04Å; S641-S644 WeakPolarHBondContact O-CB 3.35Å; S641-S644 PolarHBondContact O-N 3.11Å; S641-S644 VanDerWaalsContact O-N 3.15Å; S641-T645 PolarHBondContact O-N 2.83Å; S641-T645 PolarHBondContact O-OG1 3.35Å
642S76.1Confident70Confident59 Ų5991.1 Ų91.141%0.41351%0.509SS..Hα-helixtrans-64.8-38.9175.8-64.10000112.4Q638 L639 S644 T645 A646Q638-S642 PolarHBondContact O-N 3.22Å; Q638-S642 PolarHBondContact O-OG 3.08Å; L639-S642 PolarHBondContact O-N 3.18Å; S642-S644 PolarHBondContact O-N 3.38Å; S642-T645 WeakPolarHBondContact CA-OG1 3.45Å; S642-T645 PolarHBondContact O-N 3.41Å; S642-T645 PolarHBondContact O-OG1 2.97Å; S642-A646 PolarHBondContact O-N 2.85Å
643A63.1Low67.6Low50 Ų5097.9 Ų97.941%0.41354%0.542SS..THydrogen-bonded Turntrans-59.1-28.6172.900000113L639L639-A643 WeakPolarHBondContact O-CB 3.36Å; L639-A643 PolarHBondContact O-N 3.19Å
644S55.6Low65.1Low89 Ų89104 Ų10462%0.62257%0.573SS**THydrogen-bonded Turntrans-83.7-10.4176.4-170.90000114.1S641 S642S641-S644 WeakPolarHBondContact O-CB 3.35Å; S641-S644 PolarHBondContact O-N 3.11Å; S641-S644 VanDerWaalsContact O-N 3.15Å; S642-S644 PolarHBondContact O-N 3.38Å
645T53.6Low62.8Low94 Ų94107 Ų10758%0.57759%0.593SS**THydrogen-bonded Turntrans-103.8-26.5177.316.30000112.4S641 S642 A647 I648S641-T645 PolarHBondContact O-N 2.83Å; S641-T645 PolarHBondContact O-OG1 3.35Å; S642-T645 WeakPolarHBondContact CA-OG1 3.45Å; S642-T645 PolarHBondContact O-N 3.41Å; S642-T645 PolarHBondContact O-OG1 2.97Å; T645-A647 PolarHBondContact O-N 2.93Å; T645-A647 VanDerWaalsContact O-N 3.07Å; T645-I648 PolarHBondContact O-N 3.36Å
646A51.8Low59.8Low73 Ų73106.7 Ų106.760%0.60361%0.609SS**THydrogen-bonded Turntrans-65-5.817300000114.7S642S642-A646 PolarHBondContact O-N 2.85Å
647A41.8Very low57.4Low86 Ų86112.9 Ų112.971%0.71165%0.652SS**THydrogen-bonded Turntrans-89.52.9176.700000114T645T645-A647 PolarHBondContact O-N 2.93Å; T645-A647 VanDerWaalsContact O-N 3.07Å
648I43.1Very low54.7Low141 Ų141113.8 Ų113.872%0.72366%0.663SS**  trans-129.674.2-178-47.7179.1000109.6T645T645-I648 PolarHBondContact O-N 3.36Å
649T35.2Very low52.1Low121 Ų121116 Ų11674%0.74267%0.673SS**  trans-136.658.317360.70000111.4
650T38.3Very low49.4Very low131 Ų131118 Ų11880%0.80468%0.684SS**  trans-140.281.2165.353.90000109.9
651I40.4Very low46.6Very low152 Ų152124.2 Ų124.278%0.77971%0.712SS**  trans-164.7132147.3-93.2143.8000104.6E653I651-E653 HydrophobicContact CG2-CG 4.1Å
652E43.8Very low43.8Very low196 Ų196129 Ų12992%0.91673%0.725SS**  trans-94125.5174-62.7168.4136.200107.7
653E44.9Very low41.8Very low188 Ų188133.2 Ų133.288%0.87974%0.735SS**  trans-132.4115.1162-72-171.5161.500107.7I651I651-E653 HydrophobicContact CG2-CG 4.1Å
654E42.6Very low40.4Very low192 Ų192137.4 Ų137.490%0.89775%0.746SS**  trans-107.6154.3173.9-177.2173.7-151.600108.5
655E46.6Very low39.2Very low200 Ų200141.1 Ų141.194%0.93575%0.754SS**  trans67.8133.9171.2-158.2169.4-126.400116.1
656G31Very low37.9Very low72 Ų72141.4 Ų141.474%0.74276%0.76SS**  cis168.6143.3-8.600000111.4
657S44.4Very low36.7Very low129 Ų129142.7 Ų142.790%0.90276%0.764SS**  trans-167.2147.9160.7-173.30000110.4
658D37.4Very low36.2Very low139 Ų139149.7 Ų149.774%0.74377%0.773SS**  trans-98.1-166.5-176-150.1-22.1000112.5
659E37.3Very low35.4Very low158 Ų158152.1 Ų152.174%0.73878%0.781SS**  trans99.474.2166-51.6-58.5161.300118.5
660D35.4Very low35.2Very low118 Ų118154.1 Ų154.163%0.63178%0.782SS**  80.595.1120.6-12726000122.6
661H31.9Very low35.2Very low153 Ų153153.1 Ų153.171%0.70878%0.777SS**  32.4138.6128.4-61.4100.1000122.8
662F25.6Very low34.4Very low168 Ų168152.9 Ų152.974%0.73778%0.777SS**  -166.4112.3106.4-122.4-105.9000113.5
663K34Very low33.7Very low147 Ų147154 Ų15464%0.63977%0.773SS**  trans47.5147.1135-57.2-175.6-164.1168.50120.6
664Q34.3Very low32.9Very low138 Ų138153.2 Ų153.265%0.64577%0.774SS**  cis-165.7145.316.3-135.7164.4-89.600112.8
665Q30.1Very low32.2Very low167 Ų167153.1 Ų153.178%0.7877%0.77SS**  trans57.8154.9147.2-79.5164.1-27.900120.4
666S26.9Very low31.4Very low101 Ų101150 Ų15071%0.70677%0.766SS**  cis-164.5159.9-16.2-1670000106
667S26.7Very low31.5Very low99 Ų99152.7 Ų152.769%0.69277%0.769SS**  cis-143.514816.9-55.10000108
668R30Very low30.5Very low234 Ų234154.6 Ų154.688%0.88376%0.764SS**  42.912080.3-148.4167-173.11653.5111.5
669E27.1Very low29.7Very low191 Ų191153.7 Ų153.789%0.89377%0.768SS**  cis-125.9166.748.9-64.1179.4149.100117.1
670Q29.9Very low29.1Very low164 Ų164152.7 Ų152.777%0.76677%0.765SS**  trans-145.4150.5174.6-162-157.865.200105.9
671P38.4Very low28.5Very low109 Ų109153 Ų15371%0.70878%0.776SS**  -151.8-176.1107.542.4-25.4000112.1
672L23.4Very low28.1Very low148 Ų148150.7 Ų150.778%0.77578%0.777SS**  cis-150.1146.4-6-133.6155.2000108.4
673W30.2Very low28Very low218 Ų218151.4 Ų151.483%0.82678%0.783SS**  trans-84.7147.7167.9-93.143.4000112
674L28.3Very low27.7Very low172 Ų172152.6 Ų152.690%0.90179%0.79SS**  trans-137.8154.7153.9-79.9-178.7000111.3
675K27.8Very low27.9Very low190 Ų190150.1 Ų150.183%0.82679%0.786SS**  trans-96.7155.7-165.4-65.3179.6174.7-177.40114
676T30.1Very low27.6Very low136 Ų136149 Ų14983%0.83478%0.781SS**  trans-62.4147.8158.4-29.20000112.2
677P33.2Very low27.5Very low127 Ų127152 Ų15283%0.82578%0.781SS**  trans-124.3170.2144.237.4-28.6000113.2
678Q23Very low27.3Very low169 Ų169153.3 Ų153.379%0.7979%0.786SS**  trans-112.9140.3-160.1170.4-173.2-5.300113.4
679C20.7Very low27Very low121 Ų121147.1 Ų147.182%0.81878%0.778SS**  trans-163108.1166.3-162.20000107.4
680M23.8Very low27Very low137 Ų137142.5 Ų142.568%0.67577%0.767SS**  77.2110.967.6-69.4-72.4100.800114.9
681S22.5Very low27Very low124 Ų124140.3 Ų140.387%0.86777%0.765SS**  trans63146.4169.9-77.90000116.9
682S23.1Very low26.7Very low104 Ų104143.1 Ų143.173%0.72777%0.768SS**  cis-164.2-170.8-11.6-1550000106.3
683E23.7Very low26.9Very low184 Ų184141.7 Ų141.786%0.8677%0.766SS**  cis-143.3174.112.2-63.7-174.4118.600111.7
684E28Very low26.6Very low172 Ų172136.2 Ų136.280%0.80476%0.761SS**  trans-139.5179.7166.7-128-142.7107.200106.3
685P39.6Very low26.7Very low86 Ų86136.7 Ų136.756%0.55876%0.759SS**  cis-142.3-160.112.726.62000115.5
686Q24.1Very low26.8Very low143 Ų143133.8 Ų133.867%0.66876%0.757SS**  trans90.5141.3154.2-49.7176.7-18.300117.3
687F23.9Very low27.2Very low163 Ų163133.4 Ų133.472%0.71576%0.757SS**  cis-142.1137.515.6-94.5-71.6000114.8
688T23Very low27.3Very low128 Ų128133.7 Ų133.779%0.78576%0.756SS**  trans32.1151.7140.856.20000123.1
689S23.2Very low27.8Very low103 Ų103132.1 Ų132.172%0.7276%0.758SS**  cis-141.3143.722.3560000112.7
690S27.5Very low28.5Very low95 Ų95131.4 Ų131.466%0.66475%0.754SS**  65.3135.472.7-135.30000113.5
691V30.4Very low29.3Very low118 Ų118130.5 Ų130.572%0.71576%0.758SS**  cis-140.5136.729.4174.80000108.8
692E31.8Very low30.5Very low167 Ų167131.9 Ų131.978%0.7876%0.755SS**  68.7149.474.6-110.3-179.5149.700114.4
693T26.4Very low30.8Very low119 Ų119134.3 Ų134.373%0.7376%0.76SS**  cis-140171.11660.20000114.7
694S25.4Very low31.9Very low103 Ų103131.9 Ų131.972%0.7275%0.748SS**  trans-80.2-172.4168.249.40000112.6
695E28.7Very low32.1Very low182 Ų182126.6 Ų126.685%0.8574%0.74SS**  cis-143.1-152.821.5-63.3-173.4-97.500114.2
696T30.1Very low32.1Very low129 Ų129129.5 Ų129.579%0.79174%0.744SS**  trans-127.6165.4176.160.40000111.3
697P38.4Very low32.2Very low127 Ų127129.4 Ų129.483%0.82575%0.753SS**  -146.6159.9113.337.4-22.3000117.6
698V36Very low32.8Very low134 Ų134130.7 Ų130.781%0.81276%0.759SS**  trans-39.2132.1174.8177.40000117.9
699V32.6Very low33.4Very low136 Ų136132.5 Ų132.582%0.82476%0.759SS**  -153.6141.4122.3172.30000108.9
700S35.8Very low34.2Very low105 Ų105131.9 Ų131.973%0.73476%0.759SS**  trans-116153165.3-560000110.2
701P42.2Very low35.2Very low119 Ų119134 Ų13477%0.77376%0.759SS**  -146.2139.596.336.2-20000116.6
702L46.2Very low36.3Very low153 Ų153134.5 Ų134.580%0.80176%0.762SS**  trans33.5107.4136.4-170.867.3000120.3
703D30.8Very low37.9Very low155 Ų155127.9 Ų127.983%0.82973%0.732SS**  trans-148.8140.8139.8-173.927000110.5G705D703-G705 PolarHBondContact O-N 2.93Å
704E46.7Very low40.2Very low132 Ų132125.4 Ų125.462%0.61772%0.717SS**  trans-98.269.3-170.8-71.5-160.8175.900113.7K706E704-K706 VanDerWaalsContact C-N 3.29Å; E704-K706 PolarHBondContact O-N 3.4Å; E704-K706 IonicContact OE2-NZ 2.68Å; E704-K706 PolarHBondContact OE2-NZ 3.49Å
705G30.9Very low42.3Very low61 Ų61125.2 Ų125.263%0.62971%0.705SS**  trans-71.866.2177.500000115.4D703 T707D703-G705 PolarHBondContact O-N 2.93Å; G705-T707 PolarHBondContact O-N 3.37Å
706K39.6Very low44.2Very low148 Ų148119.8 Ų119.864%0.64369%0.692SS**  trans-63.285.6179.5-69.3-174.4171.990.40113.3E704 F708E704-K706 VanDerWaalsContact C-N 3.29Å; E704-K706 PolarHBondContact O-N 3.4Å; E704-K706 IonicContact OE2-NZ 2.68Å; E704-K706 PolarHBondContact OE2-NZ 3.49Å; K706-F708 HydrophobicContact CB-CE2 4.45Å; K706-F708 PolarHBondContact O-N 3.45Å; K706-F708 VanDerWaalsContact O-N 3.1Å
707T26.7Very low46.7Very low140 Ų140115.5 Ų115.586%0.85967%0.666SS**  trans-78.48717441.40000111.7G705 Q709G705-T707 PolarHBondContact O-N 3.37Å; T707-Q709 PolarHBondContact O-N 3.27Å
708F37.1Very low48.8Very low190 Ų190109.6 Ų109.683%0.83363%0.627SS**  trans-52.9113173.8-80.1-95.9000111.8K706 A710K706-F708 HydrophobicContact CB-CE2 4.45Å; K706-F708 PolarHBondContact O-N 3.45Å; K706-F708 VanDerWaalsContact O-N 3.1Å; F708-A710 PolarHBondContact O-N 3.16Å
709Q34.8Very low50.9Low167 Ų167109.1 Ų109.178%0.7862%0.616SS**  trans-62.1120.5163.9-171.2-173.7109.200107.9T707 Q711T707-Q709 PolarHBondContact O-N 3.27Å; Q709-Q711 PolarHBondContact O-N 3.07Å
710A40.7Very low53.3Low89 Ų89108.9 Ų108.974%0.73661%0.606SS**  trans-73.989.4-177.300000110.6F708 V712F708-A710 PolarHBondContact O-N 3.16Å; A710-V712 PolarHBondContact O-N 3Å
711Q47.4Very low55.6Low140 Ų140104.1 Ų104.165%0.65457%0.572SS**  trans-47.5119.8176.9-154.480-1.800110.2Q709 I713Q709-Q711 PolarHBondContact O-N 3.07Å; Q711-I713 VanDerWaalsContact C-N 3.32Å; Q711-I713 HydrophobicContact CB-CG1 4.35Å; Q711-I713 HydrophobicContact CG-CG1 4.49Å; Q711-I713 PolarHBondContact O-N 3.02Å
712V53.8Low57.8Low129 Ų129100.7 Ų100.778%0.78255%0.551SS**  trans-76.686.1-178.2-1780000109.2A710 T714A710-V712 PolarHBondContact O-N 3Å; V712-T714 WeakPolarHBondContact O-CG2 3.17Å; V712-T714 PolarHBondContact O-N 2.89Å
713I64.9Low59.9Low28 Ų2897 Ų9714%0.14453%0.527CS..  trans-72.9114.2-173.3-70.2161.7000110.8Q711 L718 A721 E725Q711-I713 VanDerWaalsContact C-N 3.32Å; Q711-I713 HydrophobicContact CB-CG1 4.35Å; Q711-I713 HydrophobicContact CG-CG1 4.49Å; Q711-I713 PolarHBondContact O-N 3.02Å; I713-L718 HydrophobicContact CG2-CD2 3.86Å; I713-L718 HydrophobicContact CG2-CG 4.44Å; I713-A721 HydrophobicContact CD1-CB 4.1Å; I713-A721 HydrophobicContact CG2-CB 4.21Å; I713-E725 HydrophobicContact CD1-CB 4.27Å; I713-E725 HydrophobicContact CD1-CG 4.08Å; I713-E725 WeakPolarHBondContact CD1-OE2 3.21Å
714T75.3Confident62.7Low67 Ų6797.1 Ų97.141%0.41152%0.522SS..  trans-97.3-177.8-175.670.40000111.4V712 A716 T717 L718V712-T714 WeakPolarHBondContact O-CG2 3.17Å; V712-T714 PolarHBondContact O-N 2.89Å; T714-A716 PolarHBondContact O-N 3.43Å; T714-A716 PolarHBondContact OG1-N 3.01Å; T714-T717 PolarHBondContact N-OG1 3Å; T714-T717 PolarHBondContact O-N 3.03Å; T714-L718 PolarHBondContact O-N 2.67Å
715M70.1Confident64.8Low98 Ų9894.7 Ų94.748%0.48351%0.511SS..THydrogen-bonded Turntrans-67.2-21.1173.5-64.9-59.588.300113.7L718 K780M715-L718 HydrophobicContact CE-CD1 3.53Å; M715-L718 HydrophobicContact CE-CG 3.86Å; M715-L718 HydrophobicContact SD-CD1 4.05Å; M715-K780 HydrophobicContact CE-CD 3.43Å; M715-K780 VanDerWaalsContact CE-CD 3.43Å; M715-K780 HydrophobicContact CE-CG 3.89Å; M715-K780 HydrophobicContact SD-CB 4.28Å; M715-K780 HydrophobicContact SD-CD 3.83Å; M715-K780 HydrophobicContact SD-CG 3.87Å
716A69.3Low67.7Low69 Ų6991.8 Ų91.857%0.5748%0.481SS*.THydrogen-bonded Turntrans-74.5-51.1171.500000110.8T714 L718 H719T714-A716 PolarHBondContact O-N 3.43Å; T714-A716 PolarHBondContact OG1-N 3.01Å; A716-L718 VanDerWaalsContact C-N 3.32Å; A716-L718 PolarHBondContact O-N 2.89Å; A716-H719 PolarHBondContact O-CE1 3.36Å; A716-H719 PolarHBondContact O-ND1 2.99Å
717T81.3Confident70.2Confident39 Ų3988 Ų8824%0.23947%0.467CS..G310 helixtrans-83.81.8-171.156.70000114.7T714 H719 E720 A721T714-T717 PolarHBondContact N-OG1 3Å; T714-T717 PolarHBondContact O-N 3.03Å; T717-H719 PolarHBondContact O-N 2.83Å; T717-H719 VanDerWaalsContact O-N 3.1Å; T717-E720 WeakPolarHBondContact CB-OE2 3.28Å; T717-E720 VanDerWaalsContact CG2-OE2 3.31Å; T717-E720 WeakPolarHBondContact CG2-OE2 3.3Å; T717-E720 PolarHBondContact O-N 3.25Å; T717-E720 VanDerWaalsContact O-N 3.15Å; T717-A721 PolarHBondContact O-N 3.14Å
718L81.8Confident73.4Confident2 Ų282.3 Ų82.31%0.0144%0.437CS..G310 helixtrans-57.1-23.7173.9-92.8-169000114.7I713 T714 M715 A716 L726 K780 L783 L784 L787I713-L718 HydrophobicContact CG2-CD2 3.86Å; I713-L718 HydrophobicContact CG2-CG 4.44Å; T714-L718 PolarHBondContact O-N 2.67Å; M715-L718 HydrophobicContact CE-CD1 3.53Å; M715-L718 HydrophobicContact CE-CG 3.86Å; M715-L718 HydrophobicContact SD-CD1 4.05Å; A716-L718 VanDerWaalsContact C-N 3.32Å; A716-L718 PolarHBondContact O-N 2.89Å; L718-L726 HydrophobicContact CD2-CD1 4.3Å; L718-K780 HydrophobicContact CD1-CG 4.45Å; L718-L783 HydrophobicContact CD1-CD2 3.88Å; L718-L783 HydrophobicContact CD1-CG 4.29Å; L718-L784 HydrophobicContact CD1-CD2 3.83Å; L718-L784 HydrophobicContact CD1-CG 4.24Å; L718-L784 HydrophobicContact CD2-CD2 3.56Å; L718-L784 HydrophobicContact CG-CD2 4.35Å; L718-L787 HydrophobicContact CB-CD1 4.16Å
719H80.1Confident76Confident125 Ų12575.1 Ų75.158%0.57941%0.406SS*.G310 helixtrans-84.9-19.6-178.677.5-71.5000113.6A716 T717 L787A716-H719 PolarHBondContact O-CE1 3.36Å; A716-H719 PolarHBondContact O-ND1 2.99Å; T717-H719 PolarHBondContact O-N 2.83Å; T717-H719 VanDerWaalsContact O-N 3.1Å; H719-L787 HydrophobicContact CB-CD2 4.42Å
720E83.1Confident78.8Confident131 Ų13167.9 Ų67.961%0.61237%0.372SS*.THydrogen-bonded Turntrans-88.4-23173.8-64.2146.4-152.700111.6T717T717-E720 WeakPolarHBondContact CB-OE2 3.28Å; T717-E720 VanDerWaalsContact CG2-OE2 3.31Å; T717-E720 WeakPolarHBondContact CG2-OE2 3.3Å; T717-E720 PolarHBondContact O-N 3.25Å; T717-E720 VanDerWaalsContact O-N 3.15Å
721A84.8Confident81.5Confident4 Ų471.9 Ų71.93%0.03337%0.368CS..SBendtrans-59.2137.4-175.800000113.1I713 T717 E725 Q791I713-A721 HydrophobicContact CD1-CB 4.1Å; I713-A721 HydrophobicContact CG2-CB 4.21Å; T717-A721 PolarHBondContact O-N 3.14Å; A721-E725 WeakPolarHBondContact CA-OE2 3.29Å; A721-E725 HydrophobicContact CB-CB 4.21Å; A721-Q791 PolarHBondContact O-NE2 3.02Å
722S88.9Confident83.7Confident47 Ų4771.1 Ų71.133%0.32937%0.366SS..  trans-63.3156.7-17982.80000111.7Q724 E725 L726S722-Q724 PolarHBondContact O-N 3.43Å; S722-Q724 PolarHBondContact OG-N 3.4Å; S722-E725 WeakPolarHBondContact CB-OE1 3.49Å; S722-E725 PolarHBondContact N-OE2 3.34Å; S722-E725 PolarHBondContact O-N 2.97Å; S722-E725 VanDerWaalsContact O-N 3.07Å; S722-E725 PolarHBondContact OG-N 3.21Å; S722-E725 PolarHBondContact OG-OE1 2.96Å; S722-L726 WeakPolarHBondContact O-CB 3.47Å; S722-L726 PolarHBondContact O-N 3.37Å
723R89.8Confident85.7Confident77 Ų7765.2 Ų65.229%0.29133%0.33SS..Hα-helixtrans-55.9-27.4178.9-173.1168.3-174-24.33.9113.2L727 L788 Q791 D792R723-L727 VanDerWaalsContact NH1-CD1 3.33Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 3.21Å; R723-L788 HydrophobicContact CG-CD2 4.27Å; R723-Q791 VanDerWaalsContact CA-OE1 3.25Å; R723-D792 IonicContact CZ-OD1 2.57Å; R723-D792 IonicContact CZ-OD2 3.13Å; R723-D792 IonicContact NE-OD1 2.79Å; R723-D792 PolarHBondContact NE-OD1 2.95Å; R723-D792 IonicContact NE-OD2 2.74Å; R723-D792 IonicContact NH2-OD1 3.15Å; R723-D792 PolarHBondContact NH2-OD1 3.34Å; R723-D792 IonicContact NH2-OD2 2.71Å; R723-D792 PolarHBondContact NH2-OD2 2.9Å
724Q90Very high87.2Confident157 Ų15769.2 Ų69.273%0.73434%0.344SS*.Hα-helixtrans-79-42.9177.4-177.3163.4-39.700112.3S722 L726 L727 G728S722-Q724 PolarHBondContact O-N 3.43Å; S722-Q724 PolarHBondContact OG-N 3.4Å; Q724-L726 VanDerWaalsContact C-N 3.3Å; Q724-L726 PolarHBondContact O-N 3.3Å; Q724-L727 PolarHBondContact O-N 3.32Å; Q724-G728 PolarHBondContact O-N 3.14Å
725E90.1Very high88.3Confident81 Ų8170.4 Ų70.438%0.37935%0.347SS..Hα-helixtrans-60.6-41.5170-72.9134.9-121.800111.2I713 A721 S722 L727 G728 H729I713-E725 HydrophobicContact CD1-CB 4.27Å; I713-E725 HydrophobicContact CD1-CG 4.08Å; I713-E725 WeakPolarHBondContact CD1-OE2 3.21Å; A721-E725 WeakPolarHBondContact CA-OE2 3.29Å; A721-E725 HydrophobicContact CB-CB 4.21Å; S722-E725 WeakPolarHBondContact CB-OE1 3.49Å; S722-E725 PolarHBondContact N-OE2 3.34Å; S722-E725 PolarHBondContact O-N 2.97Å; S722-E725 VanDerWaalsContact O-N 3.07Å; S722-E725 PolarHBondContact OG-N 3.21Å; S722-E725 PolarHBondContact OG-OE1 2.96Å; E725-L727 VanDerWaalsContact C-N 3.33Å; E725-L727 PolarHBondContact O-N 2.92Å; E725-G728 CarbonylContact O-C 3.57Å; E725-G728 VanDerWaalsContact O-CA 3.32Å; E725-G728 WeakPolarHBondContact O-CA 3.49Å; E725-G728 PolarHBondContact O-N 2.9Å; E725-H729 PolarHBondContact O-N 3.49Å; E725-H729 PolarHBondContact O-ND1 3.41Å
726L91.8Very high89.5Confident0 Ų068.8 Ų68.80%034%0.338CS..Hα-helixtrans-62.7-39.1-178.9-159.968.8000111.6L718 S722 Q724 L730 L784 L787 L788L718-L726 HydrophobicContact CD2-CD1 4.3Å; S722-L726 WeakPolarHBondContact O-CB 3.47Å; S722-L726 PolarHBondContact O-N 3.37Å; Q724-L726 VanDerWaalsContact C-N 3.3Å; Q724-L726 PolarHBondContact O-N 3.3Å; L726-L730 WeakPolarHBondContact O-CB 3.43Å; L726-L730 PolarHBondContact O-N 3.42Å; L726-L784 HydrophobicContact CD1-CD2 3.47Å; L726-L784 VanDerWaalsContact CD1-CD2 3.47Å; L726-L784 HydrophobicContact CG-CD2 4.21Å; L726-L787 HydrophobicContact CD1-CB 4.21Å; L726-L787 HydrophobicContact CD1-CD1 4.15Å; L726-L787 HydrophobicContact CD2-CB 3.69Å; L726-L787 HydrophobicContact CG-CB 4.5Å; L726-L788 HydrophobicContact CB-CD2 4.08Å; L726-L788 HydrophobicContact CD2-CB 4.41Å; L726-L788 HydrophobicContact CD2-CD2 3.71Å; L726-L788 HydrophobicContact CD2-CG 3.62Å; L726-L788 HydrophobicContact CG-CD2 3.96Å; L726-L788 HydrophobicContact CG-CG 3.87Å
727L92.8Very high90.9Very high68 Ų6868.4 Ų68.436%0.35632%0.324SS..Hα-helixtrans-68.7-33.4167.9-74.6177.8000113.5R723 Q724 E725 R731 L788R723-L727 VanDerWaalsContact NH1-CD1 3.33Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 3.21Å; Q724-L727 PolarHBondContact O-N 3.32Å; E725-L727 VanDerWaalsContact C-N 3.33Å; E725-L727 PolarHBondContact O-N 2.92Å; L727-R731 WeakPolarHBondContact O-CG 3.49Å; L727-R731 PolarHBondContact O-N 2.75Å; L727-R731 VanDerWaalsContact O-N 3.12Å; L727-R731 PolarHBondContact O-NE 3.3Å; L727-L788 HydrophobicContact CD2-CD1 4.02Å; L727-L788 HydrophobicContact CD2-CD2 3.87Å; L727-L788 HydrophobicContact CG-CD2 3.96Å
728G92.9Very high91.7Very high21 Ų2173.3 Ų73.322%0.21634%0.338CS..Hα-helixtrans-60.5-54171.400000111.5Q724 E725 L730 R731 M732Q724-G728 PolarHBondContact O-N 3.14Å; E725-G728 CarbonylContact O-C 3.57Å; E725-G728 VanDerWaalsContact O-CA 3.32Å; E725-G728 WeakPolarHBondContact O-CA 3.49Å; E725-G728 PolarHBondContact O-N 2.9Å; G728-L730 VanDerWaalsContact C-N 3.32Å; G728-L730 PolarHBondContact O-N 2.84Å; G728-R731 PolarHBondContact O-N 3.36Å; G728-R731 VanDerWaalsContact O-N 3.14Å; G728-M732 WeakPolarHBondContact O-CG 3.48Å; G728-M732 PolarHBondContact O-N 2.75Å
729H92.8Very high92.4Very high39 Ų3978.3 Ų78.318%0.18136%0.357CS..Hα-helixtrans-57.8-41.4174.6-68.3116.2000112.3E725 R731 M732 V733 L784E725-H729 PolarHBondContact O-N 3.49Å; E725-H729 PolarHBondContact O-ND1 3.41Å; H729-R731 VanDerWaalsContact C-N 3.33Å; H729-R731 PolarHBondContact O-N 2.91Å; H729-M732 PolarHBondContact O-N 3.37Å; H729-V733 WeakPolarHBondContact O-CB 3.32Å; H729-V733 WeakPolarHBondContact O-CG2 3.49Å; H729-V733 PolarHBondContact O-N 3.16Å; H729-L784 HydrophobicContact CB-CD1 4.01Å; H729-L784 HydrophobicContact CB-CD2 3.74Å
730L94.1Very high93.2Very high14 Ų1472.4 Ų72.47%0.07333%0.329CS..Hα-helixtrans-59.3-44.1176.2-173.369.8000111.7L726 G728 R734 L781 L784 E785 L788L726-L730 WeakPolarHBondContact O-CB 3.43Å; L726-L730 PolarHBondContact O-N 3.42Å; G728-L730 VanDerWaalsContact C-N 3.32Å; G728-L730 PolarHBondContact O-N 2.84Å; L730-R734 VanDerWaalsContact O-CB 3.28Å; L730-R734 WeakPolarHBondContact O-CB 3.46Å; L730-R734 WeakPolarHBondContact O-CG 3.47Å; L730-R734 PolarHBondContact O-N 3.46Å; L730-L781 HydrophobicContact CD1-CD2 3.92Å; L730-L784 HydrophobicContact CD1-CB 4.04Å; L730-E785 HydrophobicContact CD1-CG 3.65Å; L730-L788 HydrophobicContact CB-CD1 4.39Å; L730-L788 HydrophobicContact CD2-CD1 3.7Å; L730-L788 HydrophobicContact CG-CD1 4.48Å
731R96.8Very high93.9Very high173 Ų17370.6 Ų70.665%0.65332%0.32SS*.Hα-helixtrans-63.4-47.5176.2-73.5179.8-73.3-179.1-0111.8L727 G728 H729 R734 L735L727-R731 WeakPolarHBondContact O-CG 3.49Å; L727-R731 PolarHBondContact O-N 2.75Å; L727-R731 VanDerWaalsContact O-N 3.12Å; L727-R731 PolarHBondContact O-NE 3.3Å; G728-R731 PolarHBondContact O-N 3.36Å; G728-R731 VanDerWaalsContact O-N 3.14Å; H729-R731 VanDerWaalsContact C-N 3.33Å; H729-R731 PolarHBondContact O-N 2.91Å; R731-R734 PolarHBondContact O-N 3.39Å; R731-L735 PolarHBondContact O-N 2.81Å
732M93.3Very high94.6Very high125 Ų12575.9 Ų75.962%0.61635%0.345SS*.Hα-helixtrans-63.8-44.3-179.9-67.2-55.5-67.500112.8G728 H729 L735 E736G728-M732 WeakPolarHBondContact O-CG 3.48Å; G728-M732 PolarHBondContact O-N 2.75Å; H729-M732 PolarHBondContact O-N 3.37Å; M732-L735 WeakPolarHBondContact O-CB 3.43Å; M732-L735 PolarHBondContact O-N 2.97Å; M732-E736 PolarHBondContact O-N 3.09Å
733V95.6Very high95Very high5 Ų575.6 Ų75.63%0.0334%0.341CS..Hα-helixtrans-70.6-33.2179.1-179.50000111.4H729 L735 K737 L777 K780 L781 L784H729-V733 WeakPolarHBondContact O-CB 3.32Å; H729-V733 WeakPolarHBondContact O-CG2 3.49Å; H729-V733 PolarHBondContact O-N 3.16Å; V733-L735 VanDerWaalsContact C-N 3.33Å; V733-K737 WeakPolarHBondContact O-CB 3.2Å; V733-K737 PolarHBondContact O-N 2.88Å; V733-L777 HydrophobicContact CG1-CB 4.2Å; V733-L777 HydrophobicContact CG1-CD2 3.86Å; V733-K780 HydrophobicContact CG1-CB 4.21Å; V733-K780 HydrophobicContact CG1-CD 4.35Å; V733-K780 HydrophobicContact CG1-CG 4.22Å; V733-K780 HydrophobicContact CG2-CD 3.5Å; V733-K780 HydrophobicContact CG2-CG 3.9Å; V733-L781 HydrophobicContact CB-CD2 3.73Å; V733-L781 HydrophobicContact CB-CG 4.46Å; V733-L781 HydrophobicContact CG1-CD2 3.44Å; V733-L781 VanDerWaalsContact CG1-CD2 3.44Å; V733-L781 HydrophobicContact CG1-CG 3.63Å; V733-L784 HydrophobicContact CB-CD1 4.25Å; V733-L784 HydrophobicContact CG2-CD1 3.92Å
734R97.1Very high95.4Very high112 Ų11272.3 Ų72.342%0.42333%0.329SS..Hα-helixtrans-66.1-34.8171.8-75.9178.2176.9-178.7-1.8111.8L730 R731 R738 L781 E785L730-R734 VanDerWaalsContact O-CB 3.28Å; L730-R734 WeakPolarHBondContact O-CB 3.46Å; L730-R734 WeakPolarHBondContact O-CG 3.47Å; L730-R734 PolarHBondContact O-N 3.46Å; R731-R734 PolarHBondContact O-N 3.39Å; R734-R738 WeakPolarHBondContact O-CG 3.36Å; R734-R738 PolarHBondContact O-N 3.15Å; R734-L781 HydrophobicContact CB-CD2 4.48Å; R734-L781 HydrophobicContact CG-CD1 4.28Å; R734-L781 HydrophobicContact CG-CD2 3.56Å; R734-E785 IonicContact CZ-OE1 3.67Å; R734-E785 IonicContact NE-OE1 2.76Å; R734-E785 PolarHBondContact NE-OE1 2.87Å; R734-E785 IonicContact NH2-OE1 2.88Å; R734-E785 PolarHBondContact NH2-OE1 2.89Å
735L97.5Very high95.7Very high91 Ų9169.4 Ų69.448%0.47632%0.315SS..Hα-helixtrans-68.4-52.4173.2179.962.8000111.4R731 M732 V733 K737 R738 R739R731-L735 PolarHBondContact O-N 2.81Å; M732-L735 WeakPolarHBondContact O-CB 3.43Å; M732-L735 PolarHBondContact O-N 2.97Å; V733-L735 VanDerWaalsContact C-N 3.33Å; L735-K737 VanDerWaalsContact C-N 3.35Å; L735-K737 PolarHBondContact O-N 3Å; L735-R738 WeakPolarHBondContact O-CA 3.42Å; L735-R738 WeakPolarHBondContact O-CB 3.27Å; L735-R738 PolarHBondContact O-N 2.67Å; L735-R739 PolarHBondContact O-N 3.39Å
736E96.6Very high96.1Very high65 Ų6569.6 Ų69.630%0.30432%0.316SS..Hα-helixtrans-65.6-37.4-175.7-172.256.1-160.100112.3M732 R738 R739 L740 L777M732-E736 PolarHBondContact O-N 3.09Å; E736-R738 VanDerWaalsContact C-N 3.26Å; E736-R738 PolarHBondContact O-N 3.03Å; E736-R739 VanDerWaalsContact CD-NE 3.34Å; E736-R739 PolarHBondContact O-N 3.15Å; E736-R739 IonicContact OE1-CZ 2.68Å; E736-R739 IonicContact OE1-NE 3.35Å; E736-R739 PolarHBondContact OE1-NE 3.05Å; E736-R739 IonicContact OE1-NH2 3.79Å; E736-R739 PolarHBondContact OE1-NH2 2.94Å; E736-R739 IonicContact OE2-NE 3.96Å; E736-R739 PolarHBondContact OE2-NE 3.2Å; E736-R739 VanDerWaalsContact OE2-NE 3.13Å; E736-L740 VanDerWaalsContact O-CB 3.31Å; E736-L740 WeakPolarHBondContact O-CB 3.35Å; E736-L740 PolarHBondContact O-N 3.01Å; E736-L777 HydrophobicContact CB-CD1 4.35Å; E736-L777 HydrophobicContact CB-CD2 4.43Å; E736-L777 HydrophobicContact CG-CD1 3.83Å; E736-L777 HydrophobicContact CG-CD2 4.26Å
737K97.3Very high96.4Very high61 Ų6171.2 Ų71.227%0.26532%0.323SS..Hα-helixtrans-59-36170.4-178.4-168.8163.7-153.20112.1V733 L735 H741 Y774 L777 L781V733-K737 WeakPolarHBondContact O-CB 3.2Å; V733-K737 PolarHBondContact O-N 2.88Å; L735-K737 VanDerWaalsContact C-N 3.35Å; L735-K737 PolarHBondContact O-N 3Å; K737-H741 WeakPolarHBondContact O-CB 3.26Å; K737-H741 PolarHBondContact O-N 3.29Å; K737-Y774 HydrophobicContact CD-CE2 4.42Å; K737-Y774 WeakPolarHBondContact CE-OH 3.4Å; K737-Y774 HydrophobicContact CG-CD2 4.06Å; K737-Y774 HydrophobicContact CG-CE2 3.59Å; K737-L777 HydrophobicContact CB-CB 4.39Å; K737-L781 HydrophobicContact CD-CD1 3.49Å; K737-L781 VanDerWaalsContact CD-CD1 3.49Å
738R97.9Very high96.5Very high141 Ų14171 Ų7153%0.53232%0.32SS..Hα-helixtrans-71.4-48.1177-74.6-174.8-56.5-106.51111.4R734 L735 E736 L740 H741 Q742R734-R738 WeakPolarHBondContact O-CG 3.36Å; R734-R738 PolarHBondContact O-N 3.15Å; L735-R738 WeakPolarHBondContact O-CA 3.42Å; L735-R738 WeakPolarHBondContact O-CB 3.27Å; L735-R738 PolarHBondContact O-N 2.67Å; E736-R738 VanDerWaalsContact C-N 3.26Å; E736-R738 PolarHBondContact O-N 3.03Å; R738-L740 VanDerWaalsContact C-N 3.28Å; R738-L740 PolarHBondContact O-N 3.01Å; R738-H741 WeakPolarHBondContact O-CB 3.1Å; R738-H741 PolarHBondContact O-N 3.36Å; R738-H741 VanDerWaalsContact O-N 3.09Å; R738-Q742 WeakPolarHBondContact O-CG 3.37Å; R738-Q742 PolarHBondContact O-N 3.18Å; R738-Q742 PolarHBondContact O-OE1 3.34Å
739R98Very high96.7Very high108 Ų10874.3 Ų74.341%0.40833%0.333SS..Hα-helixtrans-51.9-50.7175.7-172.2-162.370.375.3-6.3110.6L735 E736 H741 Q742 T743L735-R739 PolarHBondContact O-N 3.39Å; E736-R739 VanDerWaalsContact CD-NE 3.34Å; E736-R739 PolarHBondContact O-N 3.15Å; E736-R739 IonicContact OE1-CZ 2.68Å; E736-R739 IonicContact OE1-NE 3.35Å; E736-R739 PolarHBondContact OE1-NE 3.05Å; E736-R739 IonicContact OE1-NH2 3.79Å; E736-R739 PolarHBondContact OE1-NH2 2.94Å; E736-R739 IonicContact OE2-NE 3.96Å; E736-R739 PolarHBondContact OE2-NE 3.2Å; E736-R739 VanDerWaalsContact OE2-NE 3.13Å; R739-H741 VanDerWaalsContact C-N 3.34Å; R739-H741 PolarHBondContact O-N 3.14Å; R739-Q742 WeakPolarHBondContact O-CB 3.24Å; R739-Q742 PolarHBondContact O-N 3.34Å; R739-T743 PolarHBondContact O-N 3.38Å; R739-T743 PolarHBondContact O-OG1 2.88Å
740L97.2Very high96.9Very high0 Ų079.3 Ų79.30%035%0.351CS..Hα-helixtrans-70.8-28.3-178.4-162.164.7000113.1E736 R738 L744 E770 Q773 Y774 L777E736-L740 VanDerWaalsContact O-CB 3.31Å; E736-L740 WeakPolarHBondContact O-CB 3.35Å; E736-L740 PolarHBondContact O-N 3.01Å; R738-L740 VanDerWaalsContact C-N 3.28Å; R738-L740 PolarHBondContact O-N 3.01Å; L740-L744 WeakPolarHBondContact O-CB 3.21Å; L740-L744 VanDerWaalsContact O-CG 3.26Å; L740-L744 WeakPolarHBondContact O-CG 3.2Å; L740-L744 PolarHBondContact O-N 3.21Å; L740-E770 HydrophobicContact CD1-CB 3.73Å; L740-E770 HydrophobicContact CD1-CG 3.69Å; L740-E770 WeakPolarHBondContact CD2-O 3.42Å; L740-E770 HydrophobicContact CG-CB 4.4Å; L740-Q773 HydrophobicContact CD2-CB 3.53Å; L740-Y774 VanDerWaalsContact CD2-N 3.28Å; L740-L777 HydrophobicContact CD2-CD1 3.78Å
741H97.7Very high97.1Very high93 Ų9380 Ų8043%0.43135%0.353SS..Hα-helixtrans-63.5-42.5169.8-167-2.6000111.6K737 R738 R739 L744 Q745 Y774K737-H741 WeakPolarHBondContact O-CB 3.26Å; K737-H741 PolarHBondContact O-N 3.29Å; R738-H741 WeakPolarHBondContact O-CB 3.1Å; R738-H741 PolarHBondContact O-N 3.36Å; R738-H741 VanDerWaalsContact O-N 3.09Å; R739-H741 VanDerWaalsContact C-N 3.34Å; R739-H741 PolarHBondContact O-N 3.14Å; H741-L744 PolarHBondContact O-N 3.27Å; H741-Q745 VanDerWaalsContact O-CB 3.3Å; H741-Q745 WeakPolarHBondContact O-CB 3.25Å; H741-Q745 PolarHBondContact O-N 3Å; H741-Y774 HydrophobicContact CB-CE2 3.9Å
742Q98.1Very high97.1Very high116 Ų11678 Ų7854%0.54235%0.347SS..Hα-helixtrans-65.5-47178.7-67.7165.9-51.600110.5R738 R739 L744 Q745 E746R738-Q742 WeakPolarHBondContact O-CG 3.37Å; R738-Q742 PolarHBondContact O-N 3.18Å; R738-Q742 PolarHBondContact O-OE1 3.34Å; R739-Q742 WeakPolarHBondContact O-CB 3.24Å; R739-Q742 PolarHBondContact O-N 3.34Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 2.82Å; Q742-Q745 PolarHBondContact O-N 3.45Å; Q742-Q745 VanDerWaalsContact O-N 3.16Å; Q742-E746 WeakPolarHBondContact O-CB 3.41Å; Q742-E746 WeakPolarHBondContact O-CG 3.33Å; Q742-E746 PolarHBondContact O-N 3.34Å
743T97.4Very high97.3Very high40 Ų4076.1 Ų76.125%0.24535%0.351CS..Hα-helixtrans-57.7-43.9174.9-52.10000112.6R739 F747 M767R739-T743 PolarHBondContact O-N 3.38Å; R739-T743 PolarHBondContact O-OG1 2.88Å; T743-F747 PolarHBondContact O-N 3.35Å; T743-F747 VanDerWaalsContact O-N 3.15Å; T743-M767 HydrophobicContact CG2-SD 4.37Å
744L97.7Very high97.3Very high8 Ų883.4 Ų83.44%0.04238%0.384CS..Hα-helixtrans-67.5-37.6176.6-72.7175.2000112.7L740 H741 Q742 F747 E748 M767 E770 Y771 Y774L740-L744 WeakPolarHBondContact O-CB 3.21Å; L740-L744 VanDerWaalsContact O-CG 3.26Å; L740-L744 WeakPolarHBondContact O-CG 3.2Å; L740-L744 PolarHBondContact O-N 3.21Å; H741-L744 PolarHBondContact O-N 3.27Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 2.82Å; L744-F747 PolarHBondContact O-N 2.8Å; L744-E748 PolarHBondContact O-N 3.37Å; L744-M767 HydrophobicContact CD2-CB 4.01Å; L744-E770 HydrophobicContact CD2-CB 3.56Å; L744-E770 HydrophobicContact CG-CB 4.08Å; L744-Y771 HydrophobicContact CD1-CD1 3.81Å; L744-Y771 HydrophobicContact CD1-CE1 4.1Å; L744-Y771 HydrophobicContact CD1-CG 4.33Å; L744-Y771 HydrophobicContact CD2-CD1 3.83Å; L744-Y771 HydrophobicContact CD2-CD2 3.76Å; L744-Y771 HydrophobicContact CD2-CE1 3.79Å; L744-Y771 HydrophobicContact CD2-CE2 3.68Å; L744-Y771 HydrophobicContact CD2-CG 3.81Å; L744-Y771 HydrophobicContact CG-CD1 4.4Å; L744-Y771 HydrophobicContact CG-CE1 4.37Å; L744-Y774 HydrophobicContact CD1-CD2 4.38Å; L744-Y774 HydrophobicContact CD1-CG 4.12Å
745Q97.6Very high97.1Very high96 Ų9681 Ų8145%0.44938%0.382SS..Hα-helixtrans-67.8-46.5176.1-179.5176.9-11.200111.3H741 Q742 F747 E748 D749H741-Q745 VanDerWaalsContact O-CB 3.3Å; H741-Q745 WeakPolarHBondContact O-CB 3.25Å; H741-Q745 PolarHBondContact O-N 3Å; Q742-Q745 PolarHBondContact O-N 3.45Å; Q742-Q745 VanDerWaalsContact O-N 3.16Å; Q745-F747 PolarHBondContact O-N 3.09Å; Q745-E748 PolarHBondContact O-N 3.46Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; Q745-D749 WeakPolarHBondContact CG-OD2 3.47Å; Q745-D749 WeakPolarHBondContact O-CB 3.48Å; Q745-D749 VanDerWaalsContact O-CG 3.3Å; Q745-D749 PolarHBondContact O-N 2.96Å
746E97.8Very high97Very high85 Ų8579.5 Ų79.540%0.39739%0.388SS..Hα-helixtrans-54.9-36.1173.7-76.2175.3-131.900112.1Q742 R750Q742-E746 WeakPolarHBondContact O-CB 3.41Å; Q742-E746 WeakPolarHBondContact O-CG 3.33Å; Q742-E746 PolarHBondContact O-N 3.34Å; E746-R750 VanDerWaalsContact O-CB 3.25Å; E746-R750 WeakPolarHBondContact O-CB 3.24Å; E746-R750 WeakPolarHBondContact O-CD 3.45Å; E746-R750 WeakPolarHBondContact O-CG 3.4Å; E746-R750 PolarHBondContact O-N 3.2Å; E746-R750 IonicContact OE2-CZ 3.13Å; E746-R750 IonicContact OE2-NH1 2.68Å; E746-R750 IonicContact OE2-NH2 3.19Å; E746-R750 PolarHBondContact OE2-NH2 3.05Å
747F97.4Very high96.9Very high34 Ų3481.2 Ų81.215%0.14939%0.392CS..Hα-helixtrans-70.3-48.4173.3173-99.2000112.6T743 L744 Q745 D749 R750 F751 P766 M767T743-F747 PolarHBondContact O-N 3.35Å; T743-F747 VanDerWaalsContact O-N 3.15Å; L744-F747 PolarHBondContact O-N 2.8Å; Q745-F747 PolarHBondContact O-N 3.09Å; F747-D749 VanDerWaalsContact C-N 3.3Å; F747-D749 PolarHBondContact O-N 3.03Å; F747-R750 PolarHBondContact O-N 3.18Å; F747-F751 WeakPolarHBondContact O-CB 3.48Å; F747-F751 PolarHBondContact O-N 2.82Å; F747-P766 HydrophobicContact CE2-CB 4.03Å; F747-P766 HydrophobicContact CE2-CG 4.35Å; F747-P766 HydrophobicContact CZ-CB 4.3Å; F747-P766 HydrophobicContact CZ-CG 4.33Å; F747-M767 HydrophobicContact CB-CG 3.84Å; F747-M767 HydrophobicContact CB-SD 4.16Å; F747-M767 HydrophobicContact CD1-CB 4.28Å; F747-M767 HydrophobicContact CD1-CG 3.74Å; F747-M767 HydrophobicContact CD2-CG 3.53Å; F747-M767 HydrophobicContact CD2-SD 4.43Å; F747-M767 HydrophobicContact CE1-CB 4.45Å; F747-M767 HydrophobicContact CE1-CG 4.13Å; F747-M767 HydrophobicContact CE2-CG 3.96Å; F747-M767 HydrophobicContact CG-CB 4.42Å; F747-M767 HydrophobicContact CG-CG 3.41Å; F747-M767 VanDerWaalsContact CG-CG 3.41Å; F747-M767 HydrophobicContact CG-SD 4.33Å; F747-M767 HydrophobicContact CZ-CG 4.24Å
748E96.3Very high96.8Very high63 Ų6383.1 Ų83.129%0.29441%0.409SS..Hα-helixtrans-61.2-38.6177.8-70.8-171.7162.500111.5L744 Q745 Y752 C759 R764 Y771L744-E748 PolarHBondContact O-N 3.37Å; Q745-E748 PolarHBondContact O-N 3.46Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; E748-Y752 WeakPolarHBondContact O-CB 3.27Å; E748-Y752 PolarHBondContact O-N 3.18Å; E748-C759 HydrophobicContact CG-CB 4.04Å; E748-R764 IonicContact OE1-CZ 3.83Å; E748-R764 IonicContact OE1-NE 2.74Å; E748-R764 PolarHBondContact OE1-NE 3.46Å; E748-R764 IonicContact OE1-NH2 2.72Å; E748-R764 PolarHBondContact OE1-NH2 3.4Å; E748-Y771 VanDerWaalsContact CG-OH 3.27Å; E748-Y771 WeakPolarHBondContact CG-OH 3.43Å; E748-Y771 PolarHBondContact OE1-OH 2.96Å
749D97.6Very high96.6Very high92 Ų9276.7 Ų76.749%0.49239%0.385SS..Hα-helixtrans-68.4-46.3176.3-69.9-22.3000112Q745 F747 F751 Y752 A753Q745-D749 WeakPolarHBondContact CG-OD2 3.47Å; Q745-D749 WeakPolarHBondContact O-CB 3.48Å; Q745-D749 VanDerWaalsContact O-CG 3.3Å; Q745-D749 PolarHBondContact O-N 2.96Å; F747-D749 VanDerWaalsContact C-N 3.3Å; F747-D749 PolarHBondContact O-N 3.03Å; D749-F751 VanDerWaalsContact C-N 3.34Å; D749-F751 PolarHBondContact O-N 2.68Å; D749-Y752 PolarHBondContact O-N 3.31Å; D749-A753 WeakPolarHBondContact O-CB 3.49Å; D749-A753 PolarHBondContact O-N 2.95Å
750R96.7Very high96.3Very high144 Ų14477 Ų7754%0.54339%0.392SS..Hα-helixtrans-62.4-41.1174.4-75.6168.6-169.4143.814.3111.7E746 F747 A753 Q754E746-R750 VanDerWaalsContact O-CB 3.25Å; E746-R750 WeakPolarHBondContact O-CB 3.24Å; E746-R750 WeakPolarHBondContact O-CD 3.45Å; E746-R750 WeakPolarHBondContact O-CG 3.4Å; E746-R750 PolarHBondContact O-N 3.2Å; E746-R750 IonicContact OE2-CZ 3.13Å; E746-R750 IonicContact OE2-NH1 2.68Å; E746-R750 IonicContact OE2-NH2 3.19Å; E746-R750 PolarHBondContact OE2-NH2 3.05Å; F747-R750 PolarHBondContact O-N 3.18Å; R750-A753 PolarHBondContact O-N 3.01Å; R750-Q754 WeakPolarHBondContact O-CB 3.48Å; R750-Q754 VanDerWaalsContact O-CG 3.29Å; R750-Q754 WeakPolarHBondContact O-CG 3.34Å; R750-Q754 PolarHBondContact O-N 2.89Å
751F97.3Very high96Very high28 Ų2884.9 Ų84.912%0.12343%0.426CS..Hα-helixtrans-63.6-44.2177.2-178.1-86.8000111.3F747 D749 Q754 T755 R757 C759 D763F747-F751 WeakPolarHBondContact O-CB 3.48Å; F747-F751 PolarHBondContact O-N 2.82Å; D749-F751 VanDerWaalsContact C-N 3.34Å; D749-F751 PolarHBondContact O-N 2.68Å; F751-Q754 PolarHBondContact O-N 3.23Å; F751-T755 HydrophobicContact CD2-CG2 4.37Å; F751-T755 HydrophobicContact CE1-CG2 4.25Å; F751-T755 VanDerWaalsContact CE1-OG1 3.28Å; F751-T755 WeakPolarHBondContact CE1-OG1 3.2Å; F751-T755 HydrophobicContact CE2-CG2 4.01Å; F751-T755 HydrophobicContact CZ-CG2 3.94Å; F751-T755 WeakPolarHBondContact O-CB 3.19Å; F751-T755 PolarHBondContact O-N 2.68Å; F751-T755 PolarHBondContact O-OG1 3.39Å; F751-R757 WeakPolarHBondContact CD1-O 3.32Å; F751-R757 HydrophobicContact CE1-CG 4.24Å; F751-C759 HydrophobicContact CD1-CB 3.77Å; F751-C759 HydrophobicContact CE1-CB 4.19Å; F751-C759 HydrophobicContact CG-CB 4.22Å; F751-D763 HydrophobicContact CD2-CB 4.46Å; F751-D763 HydrophobicContact CE1-CB 4.3Å; F751-D763 HydrophobicContact CE2-CB 3.67Å; F751-D763 HydrophobicContact CZ-CB 3.58Å
752Y97Very high95.7Very high132 Ų13286.9 Ų86.952%0.51844%0.435SS..Hα-helixtrans-61.9-45.1175.4-176.8-95.5000111.6E748 D749 Q754 T755 G756 V758E748-Y752 WeakPolarHBondContact O-CB 3.27Å; E748-Y752 PolarHBondContact O-N 3.18Å; D749-Y752 PolarHBondContact O-N 3.31Å; Y752-Q754 VanDerWaalsContact C-N 3.31Å; Y752-Q754 PolarHBondContact O-N 3.07Å; Y752-T755 PolarHBondContact O-N 3.23Å; Y752-G756 WeakPolarHBondContact O-CA 3.31Å; Y752-G756 PolarHBondContact O-N 3.03Å; Y752-V758 HydrophobicContact CD2-CG2 4.27Å; Y752-V758 HydrophobicContact CE2-CG2 4.38Å
753A97.3Very high95.4Very high85 Ų8582.9 Ų82.970%0.70242%0.418SS*.Hα-helixtrans-62.8-33.3177.600000113.6D749 R750D749-A753 WeakPolarHBondContact O-CB 3.49Å; D749-A753 PolarHBondContact O-N 2.95Å; R750-A753 PolarHBondContact O-N 3.01Å
754Q95.5Very high95.2Very high157 Ų15784.5 Ų84.573%0.73442%0.419SS*.Hα-helixtrans-82.6-33.7178.9-71.4172.421.400113.8R750 F751 Y752R750-Q754 WeakPolarHBondContact O-CB 3.48Å; R750-Q754 VanDerWaalsContact O-CG 3.29Å; R750-Q754 WeakPolarHBondContact O-CG 3.34Å; R750-Q754 PolarHBondContact O-N 2.89Å; F751-Q754 PolarHBondContact O-N 3.23Å; Y752-Q754 VanDerWaalsContact C-N 3.31Å; Y752-Q754 PolarHBondContact O-N 3.07Å
755T93.1Very high94.9Very high62 Ų6286.6 Ų86.638%0.3844%0.442SS..Hα-helixtrans-113.5-8.8-169.166.80000114.6F751 Y752 R757F751-T755 HydrophobicContact CD2-CG2 4.37Å; F751-T755 HydrophobicContact CE1-CG2 4.25Å; F751-T755 VanDerWaalsContact CE1-OG1 3.28Å; F751-T755 WeakPolarHBondContact CE1-OG1 3.2Å; F751-T755 HydrophobicContact CE2-CG2 4.01Å; F751-T755 HydrophobicContact CZ-CG2 3.94Å; F751-T755 WeakPolarHBondContact O-CB 3.19Å; F751-T755 PolarHBondContact O-N 2.68Å; F751-T755 PolarHBondContact O-OG1 3.39Å; Y752-T755 PolarHBondContact O-N 3.23Å; T755-R757 PolarHBondContact O-N 3.28Å; T755-R757 VanDerWaalsContact O-N 3.17Å; T755-R757 WeakPolarHBondContact OG1-CG 3.34Å; T755-R757 PolarHBondContact OG1-N 3.48Å; T755-R757 PolarHBondContact OG1-O 3.07Å
756G95.3Very high94.7Very high59 Ų5986.6 Ų86.661%0.60845%0.451SS*.SBendtrans66.18.7-175.400000114.6Y752Y752-G756 WeakPolarHBondContact O-CA 3.31Å; Y752-G756 PolarHBondContact O-N 3.03Å
757R95.2Very high94.6Very high102 Ų10284.2 Ų84.239%0.38544%0.44SS..SBendtrans-136.1151.9-176.264.3177.6-172.183.3-5.9112F751 T755 D763F751-R757 WeakPolarHBondContact CD1-O 3.32Å; F751-R757 HydrophobicContact CE1-CG 4.24Å; T755-R757 PolarHBondContact O-N 3.28Å; T755-R757 VanDerWaalsContact O-N 3.17Å; T755-R757 WeakPolarHBondContact OG1-CG 3.34Å; T755-R757 PolarHBondContact OG1-N 3.48Å; T755-R757 PolarHBondContact OG1-O 3.07Å; R757-D763 IonicContact CZ-OD1 3.85Å; R757-D763 IonicContact CZ-OD2 3.51Å; R757-D763 IonicContact NH1-OD1 3.97Å; R757-D763 PolarHBondContact NH1-OD1 3.5Å; R757-D763 IonicContact NH1-OD2 3.23Å; R757-D763 PolarHBondContact NH1-OD2 3.17Å; R757-D763 IonicContact NH2-OD1 2.7Å; R757-D763 PolarHBondContact NH2-OD1 2.81Å; R757-D763 IonicContact NH2-OD2 2.68Å
758V93.9Very high94.5Very high101 Ų10185 Ų8561%0.61245%0.452SS*.  trans-67.1141.7177.5-176.90000110.3Y752 Q760Y752-V758 HydrophobicContact CD2-CG2 4.27Å; Y752-V758 HydrophobicContact CE2-CG2 4.38Å; V758-Q760 PolarHBondContact O-N 3.32Å
759C94Very high94.4Very high5 Ų588.1 Ų88.13%0.03447%0.467CS..  trans-59.8112.6176-174.20000111.4E748 F751 R764E748-C759 HydrophobicContact CG-CB 4.04Å; F751-C759 HydrophobicContact CD1-CB 3.77Å; F751-C759 HydrophobicContact CE1-CB 4.19Å; F751-C759 HydrophobicContact CG-CB 4.22Å; C759-R764 VanDerWaalsContact SG-CG 3.56Å
760Q92.6Very high94.4Very high116 Ų11686 Ų8654%0.54245%0.454SS..  trans-84.8175.1175.8-55.3-1650.500110.4V758 E762 D763 R764V758-Q760 PolarHBondContact O-N 3.32Å; Q760-E762 PolarHBondContact O-N 3.1Å; Q760-D763 WeakPolarHBondContact CA-OD2 3.3Å; Q760-D763 VanDerWaalsContact CB-OD2 3.3Å; Q760-D763 WeakPolarHBondContact CB-OD2 3.45Å; Q760-D763 PolarHBondContact N-OD2 3.38Å; Q760-D763 PolarHBondContact O-N 2.96Å; Q760-R764 WeakPolarHBondContact O-CG 3.41Å
761K91.1Very high94.4Very high164 Ų16480.4 Ų80.471%0.71343%0.433SS*.THydrogen-bonded Turntrans-63.6-30.6-174.3177.4-167.2170.8-159.70111.7
762E90.9Very high94.4Very high135 Ų13582 Ų8263%0.63145%0.447SS*.THydrogen-bonded Turntrans-74.5-35.9-177.6-63.659.5-134.600110.9Q760 R764Q760-E762 PolarHBondContact O-N 3.1Å; E762-R764 VanDerWaalsContact C-N 3.26Å; E762-R764 PolarHBondContact O-N 2.83Å
763D91.9Very high94.3Very high33 Ų3378.7 Ų78.718%0.17644%0.436CS..THydrogen-bonded Turntrans-74.3-13.8179-53-59.7000113.5F751 R757 Q760 G765 P766F751-D763 HydrophobicContact CD2-CB 4.46Å; F751-D763 HydrophobicContact CE1-CB 4.3Å; F751-D763 HydrophobicContact CE2-CB 3.67Å; F751-D763 HydrophobicContact CZ-CB 3.58Å; R757-D763 IonicContact CZ-OD1 3.85Å; R757-D763 IonicContact CZ-OD2 3.51Å; R757-D763 IonicContact NH1-OD1 3.97Å; R757-D763 PolarHBondContact NH1-OD1 3.5Å; R757-D763 IonicContact NH1-OD2 3.23Å; R757-D763 PolarHBondContact NH1-OD2 3.17Å; R757-D763 IonicContact NH2-OD1 2.7Å; R757-D763 PolarHBondContact NH2-OD1 2.81Å; R757-D763 IonicContact NH2-OD2 2.68Å; Q760-D763 WeakPolarHBondContact CA-OD2 3.3Å; Q760-D763 VanDerWaalsContact CB-OD2 3.3Å; Q760-D763 WeakPolarHBondContact CB-OD2 3.45Å; Q760-D763 PolarHBondContact N-OD2 3.38Å; Q760-D763 PolarHBondContact O-N 2.96Å; D763-G765 PolarHBondContact O-N 3.18Å; D763-P766 VanDerWaalsContact O-CD 3.22Å; D763-P766 WeakPolarHBondContact O-CD 3.49Å
764R92.7Very high94.3Very high74 Ų7476.8 Ų76.828%0.27941%0.411SS..THydrogen-bonded Turntrans-74.8-0.6-176.7-71.5-176.4169.2109.4-0.3114.6E748 C759 Q760 E762 M767 A768 Y771E748-R764 IonicContact OE1-CZ 3.83Å; E748-R764 IonicContact OE1-NE 2.74Å; E748-R764 PolarHBondContact OE1-NE 3.46Å; E748-R764 IonicContact OE1-NH2 2.72Å; E748-R764 PolarHBondContact OE1-NH2 3.4Å; C759-R764 VanDerWaalsContact SG-CG 3.56Å; Q760-R764 WeakPolarHBondContact O-CG 3.41Å; E762-R764 VanDerWaalsContact C-N 3.26Å; E762-R764 PolarHBondContact O-N 2.83Å; R764-M767 CarbonylContact O-C 3.49Å; R764-M767 PolarHBondContact O-N 2.7Å; R764-M767 VanDerWaalsContact O-N 3.11Å; R764-A768 PolarHBondContact O-N 3.37Å; R764-A768 VanDerWaalsContact O-N 3.08Å; R764-Y771 HydrophobicContact CB-CD2 3.85Å; R764-Y771 HydrophobicContact CB-CE2 3.59Å; R764-Y771 VanDerWaalsContact CD-CE2 3.43Å; R764-Y771 HydrophobicContact CG-CD2 3.99Å; R764-Y771 HydrophobicContact CG-CE1 4.48Å; R764-Y771 HydrophobicContact CG-CE2 3.34Å; R764-Y771 PolarHBondContact NE-OH 2.99Å; R764-Y771 VanDerWaalsContact NE-OH 3.14Å
765G92.9Very high94.4Very high51 Ų5175.5 Ų75.553%0.52640%0.403SS..G310 helixtrans-46-50.1178.400000114.7D763 M767 A768D763-G765 PolarHBondContact O-N 3.18Å; G765-M767 PolarHBondContact O-N 3.24Å; G765-A768 VanDerWaalsContact O-CB 3.31Å; G765-A768 WeakPolarHBondContact O-CB 3.48Å; G765-A768 PolarHBondContact O-N 3.13Å
766P93.2Very high94.5Very high96 Ų9677.3 Ų77.362%0.62341%0.411SS*.G310 helixtrans-65.4-16.4-178.4-2435.9000115.9F747 D763F747-P766 HydrophobicContact CE2-CB 4.03Å; F747-P766 HydrophobicContact CE2-CG 4.35Å; F747-P766 HydrophobicContact CZ-CB 4.3Å; F747-P766 HydrophobicContact CZ-CG 4.33Å; D763-P766 VanDerWaalsContact O-CD 3.22Å; D763-P766 WeakPolarHBondContact O-CD 3.49Å
767M94.6Very high94.5Very high36 Ų3675.8 Ų75.818%0.17739%0.389CS..G310 helixtrans-12423.5177.9-65.3-85.186.900111.8T743 L744 F747 R764 G765 E769 E770 Y771T743-M767 HydrophobicContact CG2-SD 4.37Å; L744-M767 HydrophobicContact CD2-CB 4.01Å; F747-M767 HydrophobicContact CB-CG 3.84Å; F747-M767 HydrophobicContact CB-SD 4.16Å; F747-M767 HydrophobicContact CD1-CB 4.28Å; F747-M767 HydrophobicContact CD1-CG 3.74Å; F747-M767 HydrophobicContact CD2-CG 3.53Å; F747-M767 HydrophobicContact CD2-SD 4.43Å; F747-M767 HydrophobicContact CE1-CB 4.45Å; F747-M767 HydrophobicContact CE1-CG 4.13Å; F747-M767 HydrophobicContact CE2-CG 3.96Å; F747-M767 HydrophobicContact CG-CB 4.42Å; F747-M767 HydrophobicContact CG-CG 3.41Å; F747-M767 VanDerWaalsContact CG-CG 3.41Å; F747-M767 HydrophobicContact CG-SD 4.33Å; F747-M767 HydrophobicContact CZ-CG 4.24Å; R764-M767 CarbonylContact O-C 3.49Å; R764-M767 PolarHBondContact O-N 2.7Å; R764-M767 VanDerWaalsContact O-N 3.11Å; G765-M767 PolarHBondContact O-N 3.24Å; M767-E769 PolarHBondContact O-N 3.35Å; M767-E770 VanDerWaalsContact C-OE2 3.22Å; M767-E770 WeakPolarHBondContact CA-OE2 3.37Å; M767-E770 HydrophobicContact CB-CB 4.46Å; M767-E770 VanDerWaalsContact CE-CD 3.48Å; M767-E770 HydrophobicContact CE-CG 4.43Å; M767-E770 VanDerWaalsContact CE-OE1 3.24Å; M767-E770 WeakPolarHBondContact CE-OE1 3.41Å; M767-E770 PolarHBondContact O-N 2.94Å; M767-E770 HydrophobicContact SD-CG 4.23Å; M767-Y771 HydrophobicContact CB-CD2 4.06Å; M767-Y771 HydrophobicContact CB-CE2 3.88Å; M767-Y771 WeakPolarHBondContact O-CD2 3.46Å; M767-Y771 PolarHBondContact O-N 3.44Å
768A94.6Very high94.6Very high49 Ų4975.3 Ų75.341%0.40539%0.389SS..Hα-helixtrans-62.2-29.9-171.400000112.5R764 G765 C772R764-A768 PolarHBondContact O-N 3.37Å; R764-A768 VanDerWaalsContact O-N 3.08Å; G765-A768 VanDerWaalsContact O-CB 3.31Å; G765-A768 WeakPolarHBondContact O-CB 3.48Å; G765-A768 PolarHBondContact O-N 3.13Å; A768-C772 PolarHBondContact O-N 3.4Å; A768-C772 PolarHBondContact O-SG 2.68Å
769E96.3Very high94.7Very high129 Ų12973.1 Ų73.160%0.60338%0.382SS*.Hα-helixtrans-71.9-46.9175.3-164.2-176.8154.400111.2M767 Y771 C772 Q773M767-E769 PolarHBondContact O-N 3.35Å; E769-Y771 VanDerWaalsContact C-N 3.34Å; E769-Y771 PolarHBondContact O-N 3.32Å; E769-C772 CarbonylContact O-C 3.6Å; E769-C772 WeakPolarHBondContact O-CA 3.25Å; E769-C772 WeakPolarHBondContact O-CB 3.26Å; E769-C772 PolarHBondContact O-N 3.46Å; E769-Q773 HydrophobicContact CG-CG 4.2Å; E769-Q773 WeakPolarHBondContact O-CG 3.46Å; E769-Q773 PolarHBondContact O-N 2.88Å; E769-Q773 PolarHBondContact OE1-NE2 3.02Å
770E97Very high94.7Very high47 Ų4775.2 Ų75.222%0.2239%0.39CS..Hα-helixtrans-59.6-41.9178.9-67.581175.400111.4L740 L744 M767 C772 Q773 Y774L740-E770 HydrophobicContact CD1-CB 3.73Å; L740-E770 HydrophobicContact CD1-CG 3.69Å; L740-E770 WeakPolarHBondContact CD2-O 3.42Å; L740-E770 HydrophobicContact CG-CB 4.4Å; L744-E770 HydrophobicContact CD2-CB 3.56Å; L744-E770 HydrophobicContact CG-CB 4.08Å; M767-E770 VanDerWaalsContact C-OE2 3.22Å; M767-E770 WeakPolarHBondContact CA-OE2 3.37Å; M767-E770 HydrophobicContact CB-CB 4.46Å; M767-E770 VanDerWaalsContact CE-CD 3.48Å; M767-E770 HydrophobicContact CE-CG 4.43Å; M767-E770 VanDerWaalsContact CE-OE1 3.24Å; M767-E770 WeakPolarHBondContact CE-OE1 3.41Å; M767-E770 PolarHBondContact O-N 2.94Å; M767-E770 HydrophobicContact SD-CG 4.23Å; E770-C772 VanDerWaalsContact C-N 3.27Å; E770-C772 PolarHBondContact O-N 3.01Å; E770-Q773 PolarHBondContact O-N 3.09Å; E770-Y774 VanDerWaalsContact O-CB 3.27Å; E770-Y774 WeakPolarHBondContact O-CB 3.26Å; E770-Y774 PolarHBondContact O-N 3.12Å
771Y96.6Very high94.9Very high27 Ų2770.2 Ų70.211%0.10637%0.367CS..Hα-helixtrans-63.8-30.9172.4-75.2-70.1000112.9L744 E748 R764 M767 E769 K775L744-Y771 HydrophobicContact CD1-CD1 3.81Å; L744-Y771 HydrophobicContact CD1-CE1 4.1Å; L744-Y771 HydrophobicContact CD1-CG 4.33Å; L744-Y771 HydrophobicContact CD2-CD1 3.83Å; L744-Y771 HydrophobicContact CD2-CD2 3.76Å; L744-Y771 HydrophobicContact CD2-CE1 3.79Å; L744-Y771 HydrophobicContact CD2-CE2 3.68Å; L744-Y771 HydrophobicContact CD2-CG 3.81Å; L744-Y771 HydrophobicContact CG-CD1 4.4Å; L744-Y771 HydrophobicContact CG-CE1 4.37Å; E748-Y771 VanDerWaalsContact CG-OH 3.27Å; E748-Y771 WeakPolarHBondContact CG-OH 3.43Å; E748-Y771 PolarHBondContact OE1-OH 2.96Å; R764-Y771 HydrophobicContact CB-CD2 3.85Å; R764-Y771 HydrophobicContact CB-CE2 3.59Å; R764-Y771 VanDerWaalsContact CD-CE2 3.43Å; R764-Y771 HydrophobicContact CG-CD2 3.99Å; R764-Y771 HydrophobicContact CG-CE1 4.48Å; R764-Y771 HydrophobicContact CG-CE2 3.34Å; R764-Y771 PolarHBondContact NE-OH 2.99Å; R764-Y771 VanDerWaalsContact NE-OH 3.14Å; M767-Y771 HydrophobicContact CB-CD2 4.06Å; M767-Y771 HydrophobicContact CB-CE2 3.88Å; M767-Y771 WeakPolarHBondContact O-CD2 3.46Å; M767-Y771 PolarHBondContact O-N 3.44Å; E769-Y771 VanDerWaalsContact C-N 3.34Å; E769-Y771 PolarHBondContact O-N 3.32Å; Y771-K775 WeakPolarHBondContact O-CD 3.2Å; Y771-K775 VanDerWaalsContact O-CG 3.27Å; Y771-K775 WeakPolarHBondContact O-CG 3.42Å; Y771-K775 PolarHBondContact O-N 3.07Å
772C96Very high95.1Very high62 Ų6270.3 Ų70.342%0.41936%0.363SS..Hα-helixtrans-76.8-47.1175.6-70.90000111.7A768 E769 E770 Y774 K775 N776A768-C772 PolarHBondContact O-N 3.4Å; A768-C772 PolarHBondContact O-SG 2.68Å; E769-C772 CarbonylContact O-C 3.6Å; E769-C772 WeakPolarHBondContact O-CA 3.25Å; E769-C772 WeakPolarHBondContact O-CB 3.26Å; E769-C772 PolarHBondContact O-N 3.46Å; E770-C772 VanDerWaalsContact C-N 3.27Å; E770-C772 PolarHBondContact O-N 3.01Å; C772-Y774 VanDerWaalsContact C-N 3.31Å; C772-Y774 PolarHBondContact O-N 2.98Å; C772-K775 PolarHBondContact O-N 3.37Å; C772-N776 PolarHBondContact O-N 3.07Å; C772-N776 PolarHBondContact O-ND2 3.13Å; C772-N776 PolarHBondContact O-OD1 2.76Å
773Q96Very high95.3Very high62 Ų6267.4 Ų67.429%0.2935%0.352SS..Hα-helixtrans-56-44.3172.9-72.5-178.114.900110.8L740 E769 E770 K775 N776 L777L740-Q773 HydrophobicContact CD2-CB 3.53Å; E769-Q773 HydrophobicContact CG-CG 4.2Å; E769-Q773 WeakPolarHBondContact O-CG 3.46Å; E769-Q773 PolarHBondContact O-N 2.88Å; E769-Q773 PolarHBondContact OE1-NE2 3.02Å; E770-Q773 PolarHBondContact O-N 3.09Å; Q773-K775 PolarHBondContact O-N 3.22Å; Q773-N776 CarbonylContact O-C 3.51Å; Q773-N776 PolarHBondContact O-N 3.47Å; Q773-N776 VanDerWaalsContact O-N 3.14Å; Q773-L777 WeakPolarHBondContact O-CB 3.4Å; Q773-L777 VanDerWaalsContact O-CG 3.27Å; Q773-L777 WeakPolarHBondContact O-CG 3.41Å; Q773-L777 PolarHBondContact O-N 3.15Å
774Y97.4Very high95.4Very high45 Ų4565.9 Ų65.918%0.17634%0.343CS..Hα-helixtrans-62.4-41177.8-177.4-90000112.4K737 L740 H741 L744 E770 C772 K778K737-Y774 HydrophobicContact CD-CE2 4.42Å; K737-Y774 WeakPolarHBondContact CE-OH 3.4Å; K737-Y774 HydrophobicContact CG-CD2 4.06Å; K737-Y774 HydrophobicContact CG-CE2 3.59Å; L740-Y774 VanDerWaalsContact CD2-N 3.28Å; H741-Y774 HydrophobicContact CB-CE2 3.9Å; L744-Y774 HydrophobicContact CD1-CD2 4.38Å; L744-Y774 HydrophobicContact CD1-CG 4.12Å; E770-Y774 VanDerWaalsContact O-CB 3.27Å; E770-Y774 WeakPolarHBondContact O-CB 3.26Å; E770-Y774 PolarHBondContact O-N 3.12Å; C772-Y774 VanDerWaalsContact C-N 3.31Å; C772-Y774 PolarHBondContact O-N 2.98Å; Y774-K778 HydrophobicContact CE1-CD 4.4Å; Y774-K778 VanDerWaalsContact O-CB 3.32Å; Y774-K778 WeakPolarHBondContact O-CB 3.19Å; Y774-K778 PolarHBondContact O-N 3.25Å
775K96.3Very high95.5Very high130 Ų13065.8 Ų65.857%0.56535%0.346SS*.Hα-helixtrans-63.5-42.9173-73.5168.2-175.1173.50111.4Y771 C772 Q773 K778 A779Y771-K775 WeakPolarHBondContact O-CD 3.2Å; Y771-K775 VanDerWaalsContact O-CG 3.27Å; Y771-K775 WeakPolarHBondContact O-CG 3.42Å; Y771-K775 PolarHBondContact O-N 3.07Å; C772-K775 PolarHBondContact O-N 3.37Å; Q773-K775 PolarHBondContact O-N 3.22Å; K775-K778 PolarHBondContact O-N 2.94Å; K775-A779 PolarHBondContact O-N 3.26Å
776N95.4Very high95.6Very high101 Ų10165.8 Ų65.854%0.5434%0.342SS..Hα-helixtrans-64.9-42.5178.1-66.6-12.6000111.6C772 Q773 A779 K780C772-N776 PolarHBondContact O-N 3.07Å; C772-N776 PolarHBondContact O-ND2 3.13Å; C772-N776 PolarHBondContact O-OD1 2.76Å; Q773-N776 CarbonylContact O-C 3.51Å; Q773-N776 PolarHBondContact O-N 3.47Å; Q773-N776 VanDerWaalsContact O-N 3.14Å; N776-A779 WeakPolarHBondContact O-CB 3.47Å; N776-A779 PolarHBondContact O-N 3.25Å; N776-K780 WeakPolarHBondContact O-CB 3.4Å; N776-K780 PolarHBondContact O-N 3.42Å
777L96.3Very high95.5Very high26 Ų2662.8 Ų62.814%0.13632%0.32CS..Hα-helixtrans-64.4-40173.8-67.3165000111.5V733 E736 K737 L740 Q773 A779 K780 L781V733-L777 HydrophobicContact CG1-CB 4.2Å; V733-L777 HydrophobicContact CG1-CD2 3.86Å; E736-L777 HydrophobicContact CB-CD1 4.35Å; E736-L777 HydrophobicContact CB-CD2 4.43Å; E736-L777 HydrophobicContact CG-CD1 3.83Å; E736-L777 HydrophobicContact CG-CD2 4.26Å; K737-L777 HydrophobicContact CB-CB 4.39Å; L740-L777 HydrophobicContact CD2-CD1 3.78Å; Q773-L777 WeakPolarHBondContact O-CB 3.4Å; Q773-L777 VanDerWaalsContact O-CG 3.27Å; Q773-L777 WeakPolarHBondContact O-CG 3.41Å; Q773-L777 PolarHBondContact O-N 3.15Å; L777-A779 VanDerWaalsContact C-N 3.28Å; L777-A779 PolarHBondContact O-N 3.41Å; L777-K780 PolarHBondContact O-N 2.93Å; L777-L781 WeakPolarHBondContact O-CG 3.31Å; L777-L781 PolarHBondContact O-N 2.78Å
778K96.3Very high95.4Very high92 Ų9261.6 Ų61.640%0.431%0.314SS..Hα-helixtrans-64.8-29.4174.1-170.9172.8-178.2174.50112.6Y774 K775 R782Y774-K778 HydrophobicContact CE1-CD 4.4Å; Y774-K778 VanDerWaalsContact O-CB 3.32Å; Y774-K778 WeakPolarHBondContact O-CB 3.19Å; Y774-K778 PolarHBondContact O-N 3.25Å; K775-K778 PolarHBondContact O-N 2.94Å; K778-R782 WeakPolarHBondContact O-CG 3.44Å
779A96.1Very high95.2Very high55 Ų5563.1 Ų63.146%0.45532%0.322SS..Hα-helixtrans-75.4-45.8169.800000112.1K775 N776 L777 L781 R782 L783K775-A779 PolarHBondContact O-N 3.26Å; N776-A779 WeakPolarHBondContact O-CB 3.47Å; N776-A779 PolarHBondContact O-N 3.25Å; L777-A779 VanDerWaalsContact C-N 3.28Å; L777-A779 PolarHBondContact O-N 3.41Å; A779-L781 VanDerWaalsContact C-N 3.31Å; A779-L781 PolarHBondContact O-N 2.96Å; A779-R782 PolarHBondContact O-N 3.49Å; A779-R782 VanDerWaalsContact O-N 3.14Å; A779-L783 PolarHBondContact O-N 3.12Å
780K94.7Very high94.9Very high49 Ų4963.9 Ų63.921%0.21332%0.323CS..Hα-helixtrans-56.9-40.7176.5-175.1172.4174.9164.90111.7M715 L718 V733 N776 L777 L783 L784M715-K780 HydrophobicContact CE-CD 3.43Å; M715-K780 VanDerWaalsContact CE-CD 3.43Å; M715-K780 HydrophobicContact CE-CG 3.89Å; M715-K780 HydrophobicContact SD-CB 4.28Å; M715-K780 HydrophobicContact SD-CD 3.83Å; M715-K780 HydrophobicContact SD-CG 3.87Å; L718-K780 HydrophobicContact CD1-CG 4.45Å; V733-K780 HydrophobicContact CG1-CB 4.21Å; V733-K780 HydrophobicContact CG1-CD 4.35Å; V733-K780 HydrophobicContact CG1-CG 4.22Å; V733-K780 HydrophobicContact CG2-CD 3.5Å; V733-K780 HydrophobicContact CG2-CG 3.9Å; N776-K780 WeakPolarHBondContact O-CB 3.4Å; N776-K780 PolarHBondContact O-N 3.42Å; L777-K780 PolarHBondContact O-N 2.93Å; K780-L783 PolarHBondContact O-N 3.42Å; K780-L784 HydrophobicContact CG-CD1 3.97Å; K780-L784 HydrophobicContact CG-CG 4.42Å; K780-L784 WeakPolarHBondContact O-CB 3.43Å; K780-L784 WeakPolarHBondContact O-CG 3.38Å; K780-L784 PolarHBondContact O-N 3.38Å
781L95.8Very high94.3Very high12 Ų1263.9 Ų63.96%0.06332%0.323CS..Hα-helixtrans-57.4-51.3173.2-74.3-176.1000112.7L730 V733 R734 K737 L777 A779 L783 L784 E785L730-L781 HydrophobicContact CD1-CD2 3.92Å; V733-L781 HydrophobicContact CB-CD2 3.73Å; V733-L781 HydrophobicContact CB-CG 4.46Å; V733-L781 HydrophobicContact CG1-CD2 3.44Å; V733-L781 VanDerWaalsContact CG1-CD2 3.44Å; V733-L781 HydrophobicContact CG1-CG 3.63Å; R734-L781 HydrophobicContact CB-CD2 4.48Å; R734-L781 HydrophobicContact CG-CD1 4.28Å; R734-L781 HydrophobicContact CG-CD2 3.56Å; K737-L781 HydrophobicContact CD-CD1 3.49Å; K737-L781 VanDerWaalsContact CD-CD1 3.49Å; L777-L781 WeakPolarHBondContact O-CG 3.31Å; L777-L781 PolarHBondContact O-N 2.78Å; A779-L781 VanDerWaalsContact C-N 3.31Å; A779-L781 PolarHBondContact O-N 2.96Å; L781-L783 VanDerWaalsContact C-N 3.28Å; L781-L783 PolarHBondContact O-N 3.14Å; L781-L784 PolarHBondContact O-N 3.17Å; L781-E785 WeakPolarHBondContact O-CB 3.43Å; L781-E785 VanDerWaalsContact O-CG 3.26Å; L781-E785 WeakPolarHBondContact O-CG 3.42Å; L781-E785 PolarHBondContact O-N 2.88Å
782R96.3Very high93.4Very high165 Ų16565.8 Ų65.862%0.62334%0.335SS*.Hα-helixtrans-60.9-38.1-179.4-70.1165.9168.1170.6-10.7112K778 A779 A786K778-R782 WeakPolarHBondContact O-CG 3.44Å; A779-R782 PolarHBondContact O-N 3.49Å; A779-R782 VanDerWaalsContact O-N 3.14Å; R782-A786 VanDerWaalsContact O-CB 3.24Å; R782-A786 WeakPolarHBondContact O-CB 3.43Å; R782-A786 PolarHBondContact O-N 2.97Å
783L94.7Very high92.2Very high75 Ų7566.1 Ų66.139%0.39334%0.338SS..Hα-helixtrans-65.1-47.1175.1178.458.6000111.4L718 A779 K780 L781 A786 L787L718-L783 HydrophobicContact CD1-CD2 3.88Å; L718-L783 HydrophobicContact CD1-CG 4.29Å; A779-L783 PolarHBondContact O-N 3.12Å; K780-L783 PolarHBondContact O-N 3.42Å; L781-L783 VanDerWaalsContact C-N 3.28Å; L781-L783 PolarHBondContact O-N 3.14Å; L783-A786 PolarHBondContact O-N 3.01Å; L783-L787 HydrophobicContact CD1-CD1 3.9Å; L783-L787 HydrophobicContact CD1-CG 4.08Å; L783-L787 HydrophobicContact CG-CD1 3.93Å; L783-L787 WeakPolarHBondContact O-CB 3.32Å; L783-L787 VanDerWaalsContact O-CG 3.26Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.31Å
784L94.6Very high90.8Very high0 Ų068 Ų680%035%0.354CS..Hα-helixtrans-60.8-44.8176.2-68.7167.2000111.9L718 L726 H729 L730 V733 K780 L781 L787 L788L718-L784 HydrophobicContact CD1-CD2 3.83Å; L718-L784 HydrophobicContact CD1-CG 4.24Å; L718-L784 HydrophobicContact CD2-CD2 3.56Å; L718-L784 HydrophobicContact CG-CD2 4.35Å; L726-L784 HydrophobicContact CD1-CD2 3.47Å; L726-L784 VanDerWaalsContact CD1-CD2 3.47Å; L726-L784 HydrophobicContact CG-CD2 4.21Å; H729-L784 HydrophobicContact CB-CD1 4.01Å; H729-L784 HydrophobicContact CB-CD2 3.74Å; L730-L784 HydrophobicContact CD1-CB 4.04Å; V733-L784 HydrophobicContact CB-CD1 4.25Å; V733-L784 HydrophobicContact CG2-CD1 3.92Å; K780-L784 HydrophobicContact CG-CD1 3.97Å; K780-L784 HydrophobicContact CG-CG 4.42Å; K780-L784 WeakPolarHBondContact O-CB 3.43Å; K780-L784 WeakPolarHBondContact O-CG 3.38Å; K780-L784 PolarHBondContact O-N 3.38Å; L781-L784 PolarHBondContact O-N 3.17Å; L784-L787 PolarHBondContact O-N 2.99Å; L784-L788 WeakPolarHBondContact O-CB 3.47Å; L784-L788 WeakPolarHBondContact O-CD1 3.34Å; L784-L788 VanDerWaalsContact O-CG 3.25Å; L784-L788 WeakPolarHBondContact O-CG 3.36Å; L784-L788 PolarHBondContact O-N 3.07Å
785E94.1Very high89Confident72 Ų7273.9 Ų73.934%0.33638%0.381SS..Hα-helixtrans-65.5-39.2179.2-70.8163.6167.900111.4L730 R734 L781 S789L730-E785 HydrophobicContact CD1-CG 3.65Å; R734-E785 IonicContact CZ-OE1 3.67Å; R734-E785 IonicContact NE-OE1 2.76Å; R734-E785 PolarHBondContact NE-OE1 2.87Å; R734-E785 IonicContact NH2-OE1 2.88Å; R734-E785 PolarHBondContact NH2-OE1 2.89Å; L781-E785 WeakPolarHBondContact O-CB 3.43Å; L781-E785 VanDerWaalsContact O-CG 3.26Å; L781-E785 WeakPolarHBondContact O-CG 3.42Å; L781-E785 PolarHBondContact O-N 2.88Å; E785-S789 WeakPolarHBondContact O-CB 3.14Å; E785-S789 PolarHBondContact O-N 3.47Å
786A94.9Very high86.9Confident52 Ų5271.7 Ų71.743%0.4339%0.387SS..Hα-helixtrans-70.4-38.6174.300000113.5R782 L783 S789 K790R782-A786 VanDerWaalsContact O-CB 3.24Å; R782-A786 WeakPolarHBondContact O-CB 3.43Å; R782-A786 PolarHBondContact O-N 2.97Å; L783-A786 PolarHBondContact O-N 3.01Å; A786-S789 PolarHBondContact O-N 3.22Å; A786-K790 WeakPolarHBondContact O-CG 3.42Å; A786-K790 PolarHBondContact O-N 2.74Å
787L92.6Very high84.5Confident32 Ų3274.8 Ų74.817%0.16842%0.417CS..Hα-helixtrans-67.1-40.9176.1-72.8168.8000111.4L718 H719 L726 L783 L784 K790 Q791L718-L787 HydrophobicContact CB-CD1 4.16Å; H719-L787 HydrophobicContact CB-CD2 4.42Å; L726-L787 HydrophobicContact CD1-CB 4.21Å; L726-L787 HydrophobicContact CD1-CD1 4.15Å; L726-L787 HydrophobicContact CD2-CB 3.69Å; L726-L787 HydrophobicContact CG-CB 4.5Å; L783-L787 HydrophobicContact CD1-CD1 3.9Å; L783-L787 HydrophobicContact CD1-CG 4.08Å; L783-L787 HydrophobicContact CG-CD1 3.93Å; L783-L787 WeakPolarHBondContact O-CB 3.32Å; L783-L787 VanDerWaalsContact O-CG 3.26Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.31Å; L784-L787 PolarHBondContact O-N 2.99Å; L787-K790 PolarHBondContact O-N 2.55Å; L787-Q791 WeakPolarHBondContact O-CG 3.28Å; L787-Q791 PolarHBondContact O-N 2.99Å
788L91.3Very high83.9Confident12 Ų1277.3 Ų77.36%0.06343%0.431CS..Hα-helixtrans-60.8-49.3173-74.2163.1000111.1R723 L726 L727 L730 L784 K790 Q791 D792R723-L788 HydrophobicContact CG-CD2 4.27Å; L726-L788 HydrophobicContact CB-CD2 4.08Å; L726-L788 HydrophobicContact CD2-CB 4.41Å; L726-L788 HydrophobicContact CD2-CD2 3.71Å; L726-L788 HydrophobicContact CD2-CG 3.62Å; L726-L788 HydrophobicContact CG-CD2 3.96Å; L726-L788 HydrophobicContact CG-CG 3.87Å; L727-L788 HydrophobicContact CD2-CD1 4.02Å; L727-L788 HydrophobicContact CD2-CD2 3.87Å; L727-L788 HydrophobicContact CG-CD2 3.96Å; L730-L788 HydrophobicContact CB-CD1 4.39Å; L730-L788 HydrophobicContact CD2-CD1 3.7Å; L730-L788 HydrophobicContact CG-CD1 4.48Å; L784-L788 WeakPolarHBondContact O-CB 3.47Å; L784-L788 WeakPolarHBondContact O-CD1 3.34Å; L784-L788 VanDerWaalsContact O-CG 3.25Å; L784-L788 WeakPolarHBondContact O-CG 3.36Å; L784-L788 PolarHBondContact O-N 3.07Å; L788-K790 PolarHBondContact O-N 3.27Å; L788-Q791 PolarHBondContact O-N 2.88Å; L788-Q791 VanDerWaalsContact O-N 3.13Å; L788-D792 PolarHBondContact O-N 3.07Å
789S91.3Very high83.3Confident81 Ų8176.5 Ų76.557%0.56643%0.432SS*.Hα-helixtrans-57.9-34.1177.5-175.30000113E785 A786 S793E785-S789 WeakPolarHBondContact O-CB 3.14Å; E785-S789 PolarHBondContact O-N 3.47Å; A786-S789 PolarHBondContact O-N 3.22Å; S789-S793 PolarHBondContact O-N 2.71Å
790K89.9Confident82.6Confident144 Ų14477.7 Ų77.763%0.62643%0.431SS*.Hα-helixtrans-69.3-50.4173-75.8-177174.5-167.20111.9A786 L787 L788 D792 S793 T794A786-K790 WeakPolarHBondContact O-CG 3.42Å; A786-K790 PolarHBondContact O-N 2.74Å; L787-K790 PolarHBondContact O-N 2.55Å; L788-K790 PolarHBondContact O-N 3.27Å; K790-D792 PolarHBondContact O-N 2.85Å; K790-S793 PolarHBondContact O-N 3.45Å; K790-S793 PolarHBondContact O-OG 3.1Å; K790-T794 PolarHBondContact O-N 2.84Å; K790-T794 PolarHBondContact O-OG1 2.84Å
791Q83.8Confident81.9Confident47 Ų4779.4 Ų79.422%0.2244%0.444CS..Hα-helixtrans-60.4-27.6179.1-72.7-179.1-500113.3A721 R723 L787 L788 T794A721-Q791 PolarHBondContact O-NE2 3.02Å; R723-Q791 VanDerWaalsContact CA-OE1 3.25Å; L787-Q791 WeakPolarHBondContact O-CG 3.28Å; L787-Q791 PolarHBondContact O-N 2.99Å; L788-Q791 PolarHBondContact O-N 2.88Å; L788-Q791 VanDerWaalsContact O-N 3.13Å; Q791-T794 WeakPolarHBondContact CA-OG1 3.45Å; Q791-T794 PolarHBondContact O-OG1 3.36Å
792D78.1Confident81Confident68 Ų6883.6 Ų83.636%0.36447%0.468SS..Hα-helixtrans-76.8-40.5172.6-70.6-31000112.4R723 L788 K790 T794 K795 A796R723-D792 IonicContact CZ-OD1 2.57Å; R723-D792 IonicContact CZ-OD2 3.13Å; R723-D792 IonicContact NE-OD1 2.79Å; R723-D792 PolarHBondContact NE-OD1 2.95Å; R723-D792 IonicContact NE-OD2 2.74Å; R723-D792 IonicContact NH2-OD1 3.15Å; R723-D792 PolarHBondContact NH2-OD1 3.34Å; R723-D792 IonicContact NH2-OD2 2.71Å; R723-D792 PolarHBondContact NH2-OD2 2.9Å; L788-D792 PolarHBondContact O-N 3.07Å; K790-D792 PolarHBondContact O-N 2.85Å; D792-T794 VanDerWaalsContact C-N 3.29Å; D792-T794 PolarHBondContact O-N 2.57Å; D792-K795 PolarHBondContact O-N 2.79Å; D792-K795 VanDerWaalsContact O-N 3.07Å; D792-A796 PolarHBondContact O-N 2.68Å
793S71Confident80Confident69 Ų6978.1 Ų78.148%0.48346%0.458SS..Hα-helixtrans-61.2-36.4174.666.10000112.7S789 K790 K795 A796S789-S793 PolarHBondContact O-N 2.71Å; K790-S793 PolarHBondContact O-N 3.45Å; K790-S793 PolarHBondContact O-OG 3.1Å; S793-K795 PolarHBondContact O-N 3.26Å; S793-K795 VanDerWaalsContact O-N 3.09Å; S793-A796 PolarHBondContact O-N 3.05Å; S793-A796 VanDerWaalsContact O-N 3.12Å
794T65.7Low78.9Confident102 Ų10278.4 Ų78.463%0.62646%0.462SS*.THydrogen-bonded Turntrans-749.8174.952.70000114.6K790 Q791 D792K790-T794 PolarHBondContact O-N 2.84Å; K790-T794 PolarHBondContact O-OG1 2.84Å; Q791-T794 WeakPolarHBondContact CA-OG1 3.45Å; Q791-T794 PolarHBondContact O-OG1 3.36Å; D792-T794 VanDerWaalsContact C-N 3.29Å; D792-T794 PolarHBondContact O-N 2.57Å
795K59.5Low77.7Confident167 Ų16784.4 Ų84.473%0.72650%0.498SS*.THydrogen-bonded Turntrans-123.83.4169.6-66.1-169.1174.6-159.90113.1D792 S793D792-K795 PolarHBondContact O-N 2.79Å; D792-K795 VanDerWaalsContact O-N 3.07Å; S793-K795 PolarHBondContact O-N 3.26Å; S793-K795 VanDerWaalsContact O-N 3.09Å
796A53.8Low76.4Confident85 Ų8585.4 Ų85.470%0.70251%0.511SS*.  trans-112.317.1176.600000111.7D792 S793D792-A796 PolarHBondContact O-N 2.68Å; S793-A796 PolarHBondContact O-N 3.05Å; S793-A796 VanDerWaalsContact O-N 3.12Å
797S44.6Very low74.7Confident166 Ų16688.5 Ų88.5100%1.16152%0.519SS*.  trans-140.30167.1-56.20000107.4

Retrieved 797 of 797 residues in 394.9 ms (Link to these results)