A0A5K4F7R0_SCHMA Loading...

IQ domain-containing protein K

AlphaFold DB , UniProt , Accession A0A5K4F7R0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 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
1M80.2Confident92Very high163 Ų16390.6 Ų90.680%0.80346%0.459SS*.  0-39.60-155.8-101.7-77.700110.9A3 M4 L5M1-A3 PolarHBondContact O-N 3.23Å; M1-M4 WeakPolarHBondContact O-CB 3.33Å; M1-M4 PolarHBondContact O-N 3.4Å; M1-L5 HydrophobicContact CE-CD1 4.47Å; M1-L5 PolarHBondContact O-N 2.78Å; M1-L5 HydrophobicContact SD-CD1 3.64Å; M1-L5 HydrophobicContact SD-CD2 4.21Å; M1-L5 HydrophobicContact SD-CG 3.79Å
2E92.8Very high91.7Very high155 Ų15592.8 Ų92.872%0.72446%0.458SS*.Hα-helixtrans-47.4-49.6174-66.5170.3176.700114.2M4 L5 E6E2-M4 PolarHBondContact O-N 3.32Å; E2-M4 VanDerWaalsContact O-N 3.12Å; E2-L5 WeakPolarHBondContact O-CA 3.44Å; E2-L5 WeakPolarHBondContact O-CB 3.28Å; E2-L5 PolarHBondContact O-N 2.79Å; E2-E6 PolarHBondContact O-N 3.24Å
3A93.4Very high91.6Very high32 Ų3286.9 Ų86.926%0.26443%0.431SS..Hα-helixtrans-55.1-34.717800000113.6M1 Q7 F26 Y30M1-A3 PolarHBondContact O-N 3.23Å; A3-Q7 WeakPolarHBondContact O-CB 3.44Å; A3-Q7 PolarHBondContact O-N 3.24Å; A3-Q7 VanDerWaalsContact O-N 3.09Å; A3-F26 HydrophobicContact CB-CE1 4.49Å; A3-F26 HydrophobicContact CB-CZ 4Å; A3-F26 WeakPolarHBondContact O-CZ 3.5Å; A3-Y30 HydrophobicContact CB-CE2 3.96Å
4M94.6Very high91.6Very high41 Ų4190.7 Ų90.720%0.20244%0.444CS..Hα-helixtrans-70.9-40.3176-172.6-174.573.800111.4M1 E2 Q7 A8 F21 F26 L27M1-M4 WeakPolarHBondContact O-CB 3.33Å; M1-M4 PolarHBondContact O-N 3.4Å; E2-M4 PolarHBondContact O-N 3.32Å; E2-M4 VanDerWaalsContact O-N 3.12Å; M4-Q7 PolarHBondContact O-N 3.21Å; M4-A8 VanDerWaalsContact O-CB 3.3Å; M4-A8 WeakPolarHBondContact O-CB 3.45Å; M4-A8 PolarHBondContact O-N 3.22Å; M4-F21 HydrophobicContact CG-CE1 4.32Å; M4-F21 HydrophobicContact CG-CZ 4.02Å; M4-F26 HydrophobicContact CB-CD1 3.58Å; M4-F26 HydrophobicContact CB-CE1 3.47Å; M4-F26 VanDerWaalsContact CB-CE1 3.47Å; M4-F26 HydrophobicContact CB-CZ 4.31Å; M4-F26 HydrophobicContact CG-CD1 3.57Å; M4-F26 HydrophobicContact CG-CE1 4.03Å; M4-F26 HydrophobicContact CG-CG 4.21Å; M4-F26 HydrophobicContact SD-CD1 4.5Å; M4-L27 HydrophobicContact SD-CD1 4.15Å; M4-L27 HydrophobicContact SD-CD2 4.06Å; M4-L27 HydrophobicContact SD-CG 3.92Å
5L94.6Very high91.6Very high77 Ų7794 Ų9440%0.40346%0.458SS..Hα-helixtrans-66.9-38.8178-65.2177.4000111.4M1 E2 A8 K9 F14M1-L5 HydrophobicContact CE-CD1 4.47Å; M1-L5 PolarHBondContact O-N 2.78Å; M1-L5 HydrophobicContact SD-CD1 3.64Å; M1-L5 HydrophobicContact SD-CD2 4.21Å; M1-L5 HydrophobicContact SD-CG 3.79Å; E2-L5 WeakPolarHBondContact O-CA 3.44Å; E2-L5 WeakPolarHBondContact O-CB 3.28Å; E2-L5 PolarHBondContact O-N 2.79Å; L5-A8 PolarHBondContact O-N 3.15Å; L5-K9 WeakPolarHBondContact O-CB 3.44Å; L5-K9 PolarHBondContact O-N 3.34Å; L5-F14 HydrophobicContact CD2-CZ 4.31Å
6E95.2Very high91.3Very high125 Ų12594.1 Ų94.158%0.58446%0.455SS*.Hα-helixtrans-61.6-47.4172.9-71.1-178169.500111.3E2 A8 K9 Q10E2-E6 PolarHBondContact O-N 3.24Å; E6-A8 VanDerWaalsContact C-N 3.33Å; E6-A8 PolarHBondContact O-N 2.84Å; E6-K9 WeakPolarHBondContact O-CB 3.46Å; E6-K9 PolarHBondContact O-N 3.09Å; E6-Q10 WeakPolarHBondContact O-CG 3.34Å; E6-Q10 PolarHBondContact O-N 3.28Å
7Q94.1Very high91.1Very high75 Ų75100.9 Ų100.935%0.3548%0.482SS..Hα-helixtrans-63.6-39.2176.9-16663.656.400112.1A3 M4 K9 Q10 G11 F21 F26A3-Q7 WeakPolarHBondContact O-CB 3.44Å; A3-Q7 PolarHBondContact O-N 3.24Å; A3-Q7 VanDerWaalsContact O-N 3.09Å; M4-Q7 PolarHBondContact O-N 3.21Å; Q7-K9 VanDerWaalsContact C-N 3.33Å; Q7-Q10 PolarHBondContact O-N 3.31Å; Q7-G11 PolarHBondContact O-N 3.43Å; Q7-F21 HydrophobicContact CB-CE2 4.02Å; Q7-F21 HydrophobicContact CB-CZ 4.26Å; Q7-F21 HydrophobicContact CG-CD2 4.18Å; Q7-F21 HydrophobicContact CG-CE2 3.55Å; Q7-F21 HydrophobicContact CG-CZ 4.29Å; Q7-F26 HydrophobicContact CB-CD2 3.97Å; Q7-F26 HydrophobicContact CB-CE2 3.72Å; Q7-F26 HydrophobicContact CB-CZ 4.45Å; Q7-F26 HydrophobicContact CG-CD2 3.85Å; Q7-F26 HydrophobicContact CG-CE2 3.92Å
8A94Very high90.8Very high8 Ų8106.2 Ų106.27%0.06650%0.496CS..Hα-helixtrans-64.8-38175.400000111.8M4 L5 E6 G11 R12 C13 F14 F21M4-A8 VanDerWaalsContact O-CB 3.3Å; M4-A8 WeakPolarHBondContact O-CB 3.45Å; M4-A8 PolarHBondContact O-N 3.22Å; L5-A8 PolarHBondContact O-N 3.15Å; E6-A8 VanDerWaalsContact C-N 3.33Å; E6-A8 PolarHBondContact O-N 2.84Å; A8-G11 CarbonylContact O-C 3.56Å; A8-G11 PolarHBondContact O-N 3.3Å; A8-R12 PolarHBondContact O-N 3.19Å; A8-C13 HydrophobicContact CB-CB 4.21Å; A8-C13 VanDerWaalsContact O-CB 3.28Å; A8-C13 WeakPolarHBondContact O-CB 3.41Å; A8-C13 PolarHBondContact O-N 3.17Å; A8-C13 PolarHBondContact O-SG 3.13Å; A8-F14 HydrophobicContact CB-CE2 4.06Å; A8-F14 HydrophobicContact CB-CZ 4.03Å; A8-F21 HydrophobicContact CB-CD1 3.97Å; A8-F21 HydrophobicContact CB-CE1 3.73Å; A8-F21 HydrophobicContact CB-CZ 4.38Å
9K94Very high90.8Very high149 Ų149105.5 Ų105.565%0.64849%0.492SS*.Hα-helixtrans-64.5-45.4174.1-171179.3179.2-178.10111.1L5 E6 Q7 G11 R12 F14L5-K9 WeakPolarHBondContact O-CB 3.44Å; L5-K9 PolarHBondContact O-N 3.34Å; E6-K9 WeakPolarHBondContact O-CB 3.46Å; E6-K9 PolarHBondContact O-N 3.09Å; Q7-K9 VanDerWaalsContact C-N 3.33Å; K9-G11 PolarHBondContact O-N 2.83Å; K9-R12 PolarHBondContact O-N 3Å; K9-F14 HydrophobicContact CB-CD2 4.13Å; K9-F14 HydrophobicContact CB-CE2 3.99Å; K9-F14 HydrophobicContact CG-CD2 4.44Å
10Q91Very high90.6Very high136 Ų136102 Ų10264%0.63649%0.486SS*.Hα-helixtrans-58.3-38.7173.8-70.2176.92.600111.9E6 Q7 R12E6-Q10 WeakPolarHBondContact O-CG 3.34Å; E6-Q10 PolarHBondContact O-N 3.28Å; Q7-Q10 PolarHBondContact O-N 3.31Å; Q10-R12 PolarHBondContact O-N 3.28Å
11G88.5Confident90.7Very high36 Ų3699.4 Ų99.437%0.37147%0.473SS..THydrogen-bonded Turntrans-72.24.5174.500000115.3Q7 A8 K9 C13Q7-G11 PolarHBondContact O-N 3.43Å; A8-G11 CarbonylContact O-C 3.56Å; A8-G11 PolarHBondContact O-N 3.3Å; K9-G11 PolarHBondContact O-N 2.83Å; G11-C13 PolarHBondContact O-N 2.93Å; G11-C13 VanDerWaalsContact O-N 3.16Å
12R88.3Confident91.2Very high117 Ų11794.4 Ų94.444%0.44245%0.449SS..THydrogen-bonded Turntrans53.729.3-175.8-58.5-175.5-175.8161.65.4113.4A8 K9 Q10 F14 E15 K16 D75A8-R12 PolarHBondContact O-N 3.19Å; K9-R12 PolarHBondContact O-N 3Å; Q10-R12 PolarHBondContact O-N 3.28Å; R12-F14 PolarHBondContact O-N 3.2Å; R12-E15 HydrophobicContact CB-CB 4.31Å; R12-E15 WeakPolarHBondContact CD-OE2 3.47Å; R12-E15 WeakPolarHBondContact CG-OE2 3.49Å; R12-E15 PolarHBondContact O-N 3.44Å; R12-E15 VanDerWaalsContact O-N 3.11Å; R12-K16 PolarHBondContact O-N 3.09Å; R12-D75 IonicContact NH1-OD2 2.81Å
13C90.4Very high91.2Very high16 Ų1688.1 Ų88.111%0.10843%0.426CS..THydrogen-bonded Turntrans-63.5-25.3-177.7-61.80000113.1A8 G11 F19 F21A8-C13 HydrophobicContact CB-CB 4.21Å; A8-C13 VanDerWaalsContact O-CB 3.28Å; A8-C13 WeakPolarHBondContact O-CB 3.41Å; A8-C13 PolarHBondContact O-N 3.17Å; A8-C13 PolarHBondContact O-SG 3.13Å; G11-C13 PolarHBondContact O-N 2.93Å; G11-C13 VanDerWaalsContact O-N 3.16Å; C13-F19 HydrophobicContact CB-CB 4.49Å; C13-F19 HydrophobicContact CB-CD1 4.02Å; C13-F19 HydrophobicContact CB-CD2 4.3Å; C13-F19 HydrophobicContact CB-CE1 4.3Å; C13-F19 HydrophobicContact CB-CG 4.02Å; C13-F21 WeakPolarHBondContact SG-CB 3.4Å
14F91.5Very high91.2Very high140 Ų14092.5 Ų92.561%0.61445%0.445SS*.THydrogen-bonded Turntrans-89.3-12.3179.1-53.5-62.2000113.4L5 A8 K9 R12L5-F14 HydrophobicContact CD2-CZ 4.31Å; A8-F14 HydrophobicContact CB-CE2 4.06Å; A8-F14 HydrophobicContact CB-CZ 4.03Å; K9-F14 HydrophobicContact CB-CD2 4.13Å; K9-F14 HydrophobicContact CB-CE2 3.99Å; K9-F14 HydrophobicContact CG-CD2 4.44Å; R12-F14 PolarHBondContact O-N 3.2Å
15E90.8Very high91.2Very high140 Ų14092.7 Ų92.765%0.65445%0.446SS*.THydrogen-bonded Turntrans-101.5-34.9-178-61.1169.6-168.900111.4R12R12-E15 HydrophobicContact CB-CB 4.31Å; R12-E15 WeakPolarHBondContact CD-OE2 3.47Å; R12-E15 WeakPolarHBondContact CG-OE2 3.49Å; R12-E15 PolarHBondContact O-N 3.44Å; R12-E15 VanDerWaalsContact O-N 3.11Å
16K87.6Confident91.3Very high96 Ų9690.9 Ų90.942%0.41744%0.435SS..  trans-105.3137.9-176.2-64.7-175.2176.2-177.90111.2R12 R18R12-K16 PolarHBondContact O-N 3.09Å; K16-R18 WeakPolarHBondContact CB-O 3.12Å; K16-R18 PolarHBondContact O-N 3.39Å
17K87.2Confident91.2Very high209 Ų20988 Ų8891%0.90942%0.423SS*.SBendtrans-62.8-26.2172.4-174173.6-177.8175.20113.3
18R87.1Confident91.2Very high196 Ų19686.4 Ų86.474%0.7442%0.419SS*.SBendtrans-129133.4178.9-67.9-177172.7168.5-2.6109.3K16 L71K16-R18 WeakPolarHBondContact CB-O 3.12Å; K16-R18 PolarHBondContact O-N 3.39Å; R18-L71 HydrophobicContact CB-CD2 4.3Å
19F89.4Confident91.3Very high93 Ų9387.6 Ų87.641%0.40842%0.424SS..  trans-144.8153.1-176.747.3-97.1000110.6C13 F21C13-F19 HydrophobicContact CB-CB 4.49Å; C13-F19 HydrophobicContact CB-CD1 4.02Å; C13-F19 HydrophobicContact CB-CD2 4.3Å; C13-F19 HydrophobicContact CB-CE1 4.3Å; C13-F19 HydrophobicContact CB-CG 4.02Å; F19-F21 HydrophobicContact CD2-CB 4.28Å; F19-F21 WeakPolarHBondContact CD2-O 3.23Å
20G88.2Confident91.3Very high36 Ų3684.7 Ų84.737%0.37141%0.41SS..  trans-88-10.2178.900000114.1N22G20-N22 PolarHBondContact O-N 2.9Å
21F91.7Very high91.3Very high48 Ų4883.7 Ų83.721%0.21141%0.408CS..  trans-68.4128.4179.8178-107000111.3M4 Q7 A8 C13 F19 F26M4-F21 HydrophobicContact CG-CE1 4.32Å; M4-F21 HydrophobicContact CG-CZ 4.02Å; Q7-F21 HydrophobicContact CB-CE2 4.02Å; Q7-F21 HydrophobicContact CB-CZ 4.26Å; Q7-F21 HydrophobicContact CG-CD2 4.18Å; Q7-F21 HydrophobicContact CG-CE2 3.55Å; Q7-F21 HydrophobicContact CG-CZ 4.29Å; A8-F21 HydrophobicContact CB-CD1 3.97Å; A8-F21 HydrophobicContact CB-CE1 3.73Å; A8-F21 HydrophobicContact CB-CZ 4.38Å; C13-F21 WeakPolarHBondContact SG-CB 3.4Å; F19-F21 HydrophobicContact CD2-CB 4.28Å; F19-F21 WeakPolarHBondContact CD2-O 3.23Å; F21-F26 HydrophobicContact CE2-CB 3.81Å; F21-F26 HydrophobicContact CE2-CD2 4.14Å; F21-F26 HydrophobicContact CE2-CG 4.19Å; F21-F26 HydrophobicContact CZ-CB 3.72Å; F21-F26 HydrophobicContact CZ-CD2 4.34Å; F21-F26 HydrophobicContact CZ-CG 4.03Å
22N91.6Very high91.5Very high57 Ų5783.7 Ų83.731%0.30540%0.397SS..  trans-111.5115.3173.8-172.6-35.3000110.1G20 L24 D25 F26 R64G20-N22 PolarHBondContact O-N 2.9Å; N22-L24 VanDerWaalsContact C-N 3.32Å; N22-L24 PolarHBondContact O-N 3.32Å; N22-L24 WeakPolarHBondContact OD1-CB 2.63Å; N22-L24 PolarHBondContact OD1-N 3.05Å; N22-D25 HydrophobicContact CB-CB 3.93Å; N22-D25 WeakPolarHBondContact CB-OD2 3.27Å; N22-D25 WeakPolarHBondContact O-CB 3.36Å; N22-D25 PolarHBondContact O-N 3.38Å; N22-D25 PolarHBondContact OD1-N 2.92Å; N22-F26 PolarHBondContact O-N 3.44Å; N22-F26 VanDerWaalsContact O-N 3.1Å; N22-R64 PolarHBondContact ND2-NH2 2.88Å
23G92.7Very high91.7Very high24 Ų2480.9 Ų80.925%0.24739%0.388CS..Hα-helixtrans-62.5-35.1-179.800000113.7F26 L27G23-F26 PolarHBondContact O-N 3.12Å; G23-L27 WeakPolarHBondContact O-CB 3.21Å; G23-L27 VanDerWaalsContact O-CG 3.29Å; G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.84Å
24L93.3Very high91.7Very high124 Ų12485.2 Ų85.265%0.64941%0.406SS*.Hα-helixtrans-68.9-38.8177.6-63.6176.5000111.6N22 F26 L27 T28N22-L24 VanDerWaalsContact C-N 3.32Å; N22-L24 PolarHBondContact O-N 3.32Å; N22-L24 WeakPolarHBondContact OD1-CB 2.63Å; N22-L24 PolarHBondContact OD1-N 3.05Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 3.05Å; L24-T28 VanDerWaalsContact O-CB 3.31Å; L24-T28 WeakPolarHBondContact O-CB 3.28Å; L24-T28 PolarHBondContact O-N 3.45Å; L24-T28 PolarHBondContact O-OG1 3.35Å
25D94.6Very high91.5Very high45 Ų4581.3 Ų81.324%0.24139%0.392CS..Hα-helixtrans-62.5-45.5175.8-71-3.7000110.5N22 T28 L29 L49 R64N22-D25 HydrophobicContact CB-CB 3.93Å; N22-D25 WeakPolarHBondContact CB-OD2 3.27Å; N22-D25 WeakPolarHBondContact O-CB 3.36Å; N22-D25 PolarHBondContact O-N 3.38Å; N22-D25 PolarHBondContact OD1-N 2.92Å; D25-T28 PolarHBondContact O-N 3.04Å; D25-L29 PolarHBondContact O-N 3.46Å; D25-L49 HydrophobicContact CB-CD1 3.59Å; D25-R64 IonicContact OD1-CZ 2.83Å; D25-R64 VanDerWaalsContact OD1-CZ 3.28Å; D25-R64 IonicContact OD1-NH1 3.28Å; D25-R64 PolarHBondContact OD1-NH1 3.39Å; D25-R64 IonicContact OD1-NH2 3.28Å; D25-R64 PolarHBondContact OD1-NH2 2.81Å; D25-R64 IonicContact OD2-CZ 2.63Å; D25-R64 VanDerWaalsContact OD2-CZ 3.28Å; D25-R64 IonicContact OD2-NH1 2.7Å; D25-R64 PolarHBondContact OD2-NH1 3.15Å; D25-R64 IonicContact OD2-NH2 3.13Å; D25-R64 PolarHBondContact OD2-NH2 3.29Å
26F95.1Very high91.3Very high38 Ų3881.1 Ų81.117%0.16739%0.394CS..Hα-helixtrans-58.8-50.7175.5177.8-87.6000111.3A3 M4 Q7 F21 N22 G23 L24 T28 L29 Y30A3-F26 HydrophobicContact CB-CE1 4.49Å; A3-F26 HydrophobicContact CB-CZ 4Å; A3-F26 WeakPolarHBondContact O-CZ 3.5Å; M4-F26 HydrophobicContact CB-CD1 3.58Å; M4-F26 HydrophobicContact CB-CE1 3.47Å; M4-F26 VanDerWaalsContact CB-CE1 3.47Å; M4-F26 HydrophobicContact CB-CZ 4.31Å; M4-F26 HydrophobicContact CG-CD1 3.57Å; M4-F26 HydrophobicContact CG-CE1 4.03Å; M4-F26 HydrophobicContact CG-CG 4.21Å; M4-F26 HydrophobicContact SD-CD1 4.5Å; Q7-F26 HydrophobicContact CB-CD2 3.97Å; Q7-F26 HydrophobicContact CB-CE2 3.72Å; Q7-F26 HydrophobicContact CB-CZ 4.45Å; Q7-F26 HydrophobicContact CG-CD2 3.85Å; Q7-F26 HydrophobicContact CG-CE2 3.92Å; F21-F26 HydrophobicContact CE2-CB 3.81Å; F21-F26 HydrophobicContact CE2-CD2 4.14Å; F21-F26 HydrophobicContact CE2-CG 4.19Å; F21-F26 HydrophobicContact CZ-CB 3.72Å; F21-F26 HydrophobicContact CZ-CD2 4.34Å; F21-F26 HydrophobicContact CZ-CG 4.03Å; N22-F26 PolarHBondContact O-N 3.44Å; N22-F26 VanDerWaalsContact O-N 3.1Å; G23-F26 PolarHBondContact O-N 3.12Å; L24-F26 VanDerWaalsContact C-N 3.34Å; F26-T28 VanDerWaalsContact C-N 3.31Å; F26-T28 PolarHBondContact O-N 3.14Å; F26-L29 PolarHBondContact O-N 3.09Å; F26-Y30 HydrophobicContact CE1-CD2 4.11Å; F26-Y30 HydrophobicContact CE1-CG 4.09Å; F26-Y30 AromaticContact CZ-CD2 3.91Å; F26-Y30 HydrophobicContact CZ-CD2 3.91Å; F26-Y30 HydrophobicContact CZ-CG 4.34Å; F26-Y30 WeakPolarHBondContact O-CB 3.3Å; F26-Y30 PolarHBondContact O-N 3.34Å
27L94.6Very high91Very high64 Ų6486 Ų8634%0.33541%0.411SS..Hα-helixtrans-60.9-42.2-179.5-73.2173.7000111.7M4 G23 L24 Y30 L31M4-L27 HydrophobicContact SD-CD1 4.15Å; M4-L27 HydrophobicContact SD-CD2 4.06Å; M4-L27 HydrophobicContact SD-CG 3.92Å; G23-L27 WeakPolarHBondContact O-CB 3.21Å; G23-L27 VanDerWaalsContact O-CG 3.29Å; G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.84Å; L24-L27 PolarHBondContact O-N 3.05Å; L27-Y30 PolarHBondContact O-N 3.04Å; L27-L31 VanDerWaalsContact O-CB 3.27Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 2.86Å
28T94.3Very high90.4Very high43 Ų4377.4 Ų77.426%0.26438%0.376SS..Hα-helixtrans-60.2-51.3178.6-57.80000110.8L24 D25 F26 Y32 L49 W54 I55L24-T28 VanDerWaalsContact O-CB 3.31Å; L24-T28 WeakPolarHBondContact O-CB 3.28Å; L24-T28 PolarHBondContact O-N 3.45Å; L24-T28 PolarHBondContact O-OG1 3.35Å; D25-T28 PolarHBondContact O-N 3.04Å; F26-T28 VanDerWaalsContact C-N 3.31Å; F26-T28 PolarHBondContact O-N 3.14Å; T28-Y32 WeakPolarHBondContact O-CB 3.47Å; T28-Y32 PolarHBondContact O-N 3.42Å; T28-L49 HydrophobicContact CG2-CD2 3.96Å; T28-W54 HydrophobicContact CG2-CH2 3.5Å; T28-W54 VanDerWaalsContact CG2-CH2 3.5Å; T28-W54 HydrophobicContact CG2-CZ2 3.51Å; T28-I55 HydrophobicContact CG2-CD1 3.81Å
29L94.8Very high89.5Confident33 Ų3375.8 Ų75.817%0.17338%0.382CS..Hα-helixtrans-64.5-42.8178.5-176.360.2000111.7D25 F26 Y32 K33 V46 L49 I52D25-L29 PolarHBondContact O-N 3.46Å; F26-L29 PolarHBondContact O-N 3.09Å; L29-Y32 PolarHBondContact O-N 2.97Å; L29-K33 WeakPolarHBondContact O-CG 3.5Å; L29-K33 PolarHBondContact O-N 3.1Å; L29-V46 HydrophobicContact CD1-CG1 4.05Å; L29-L49 HydrophobicContact CB-CD2 3.74Å; L29-L49 HydrophobicContact CD1-CD2 4.48Å; L29-I52 HydrophobicContact CD1-CD1 4.03Å
30Y93.7Very high88.5Confident88 Ų8875.7 Ų75.735%0.34538%0.383SS..Hα-helixtrans-64.6-49.6-177.9-175.9-90.6000111.5A3 F26 L27 Y32 K33 H34A3-Y30 HydrophobicContact CB-CE2 3.96Å; F26-Y30 HydrophobicContact CE1-CD2 4.11Å; F26-Y30 HydrophobicContact CE1-CG 4.09Å; F26-Y30 AromaticContact CZ-CD2 3.91Å; F26-Y30 HydrophobicContact CZ-CD2 3.91Å; F26-Y30 HydrophobicContact CZ-CG 4.34Å; F26-Y30 WeakPolarHBondContact O-CB 3.3Å; F26-Y30 PolarHBondContact O-N 3.34Å; L27-Y30 PolarHBondContact O-N 3.04Å; Y30-Y32 VanDerWaalsContact C-N 3.32Å; Y30-Y32 PolarHBondContact O-N 3.35Å; Y30-K33 PolarHBondContact O-N 3.3Å; Y30-H34 AromaticContact CD2-CE1 3.6Å; Y30-H34 AromaticContact CD2-ND1 3.74Å; Y30-H34 AromaticContact CE1-ND1 3.97Å; Y30-H34 AromaticContact CE2-CE1 3.33Å; Y30-H34 WeakPolarHBondContact CE2-CE1 3.29Å; Y30-H34 AromaticContact CE2-ND1 3.68Å; Y30-H34 AromaticContact CE2-NE2 3.95Å; Y30-H34 AromaticContact CG-ND1 3.9Å; Y30-H34 AromaticContact CZ-CE1 3.76Å; Y30-H34 AromaticContact CZ-ND1 3.79Å; Y30-H34 PolarHBondContact O-N 3.23Å; Y30-H34 PolarHBondContact O-ND1 3.41Å
31L92.7Very high87.9Confident114 Ų11478.9 Ų78.960%0.59739%0.392SS*.Hα-helixtrans-65.7-35.7178.2-68.9173.7000111.9L27 H34 N35L27-L31 VanDerWaalsContact O-CB 3.27Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 2.86Å; L31-H34 PolarHBondContact O-N 2.94Å; L31-N35 PolarHBondContact O-N 2.93Å; L31-N35 VanDerWaalsContact O-N 3.15Å
32Y92.5Very high87.4Confident36 Ų3684.1 Ų84.114%0.14142%0.417CS..Hα-helixtrans-63.2-42.7175.8-176.4-100.6000112.3T28 L29 Y30 R43 V46 I52T28-Y32 WeakPolarHBondContact O-CB 3.47Å; T28-Y32 PolarHBondContact O-N 3.42Å; L29-Y32 PolarHBondContact O-N 2.97Å; Y30-Y32 VanDerWaalsContact C-N 3.32Å; Y30-Y32 PolarHBondContact O-N 3.35Å; Y32-R43 HydrophobicContact CE1-CB 4.12Å; Y32-R43 HydrophobicContact CE1-CG 3.9Å; Y32-V46 HydrophobicContact CD1-CG1 4.46Å; Y32-V46 HydrophobicContact CE1-CB 4.37Å; Y32-V46 HydrophobicContact CE1-CG1 4.34Å; Y32-V46 HydrophobicContact CE1-CG2 4.09Å; Y32-I52 HydrophobicContact CD1-CD1 3.64Å; Y32-I52 HydrophobicContact CD1-CG1 3.78Å; Y32-I52 HydrophobicContact CD2-CD1 4.41Å; Y32-I52 HydrophobicContact CD2-CG2 4.05Å; Y32-I52 HydrophobicContact CE1-CD1 4.23Å; Y32-I52 HydrophobicContact CE1-CG1 3.85Å; Y32-I52 HydrophobicContact CE1-CG2 4.32Å; Y32-I52 HydrophobicContact CE2-CG2 3.85Å; Y32-I52 HydrophobicContact CG-CD1 3.73Å; Y32-I52 HydrophobicContact CG-CG1 4.23Å; Y32-I52 HydrophobicContact CG-CG2 4.36Å
33K91.7Very high87.2Confident59 Ų5983.8 Ų83.826%0.25741%0.411SS..Hα-helixtrans-66.1-39.4175.7-76.4-179.3174.3-170.70113.9L29 Y30 V46L29-K33 WeakPolarHBondContact O-CG 3.5Å; L29-K33 PolarHBondContact O-N 3.1Å; Y30-K33 PolarHBondContact O-N 3.3Å; K33-V46 WeakPolarHBondContact CE-O 3.47Å; K33-V46 PolarHBondContact NZ-O 2.69Å; K33-V46 VanDerWaalsContact NZ-O 3.09Å
34H89.6Confident86.8Confident106 Ų10688.7 Ų88.749%0.49143%0.426SS..THydrogen-bonded Turntrans-101.121.7-172-60.585.3000112.7Y30 L31 I36Y30-H34 AromaticContact CD2-CE1 3.6Å; Y30-H34 AromaticContact CD2-ND1 3.74Å; Y30-H34 AromaticContact CE1-ND1 3.97Å; Y30-H34 AromaticContact CE2-CE1 3.33Å; Y30-H34 WeakPolarHBondContact CE2-CE1 3.29Å; Y30-H34 AromaticContact CE2-ND1 3.68Å; Y30-H34 AromaticContact CE2-NE2 3.95Å; Y30-H34 AromaticContact CG-ND1 3.9Å; Y30-H34 AromaticContact CZ-CE1 3.76Å; Y30-H34 AromaticContact CZ-ND1 3.79Å; Y30-H34 PolarHBondContact O-N 3.23Å; Y30-H34 PolarHBondContact O-ND1 3.41Å; L31-H34 PolarHBondContact O-N 2.94Å; H34-I36 PolarHBondContact O-N 3.37Å; H34-I36 VanDerWaalsContact O-N 3.15Å
35N88.8Confident86.6Confident59 Ų5988.6 Ų88.632%0.31643%0.426SS..  trans-69.6112.1178.5-174.3-2000110.6L31 Y37 T38L31-N35 PolarHBondContact O-N 2.93Å; L31-N35 VanDerWaalsContact O-N 3.15Å; N35-Y37 PolarHBondContact O-N 3.39Å; N35-Y37 WeakPolarHBondContact OD1-CD2 3.34Å; N35-Y37 PolarHBondContact OD1-N 3.02Å; N35-Y37 VanDerWaalsContact OD1-N 3.09Å; N35-T38 PolarHBondContact O-N 2.88Å
36I85.1Confident86.4Confident135 Ų13587.4 Ų87.469%0.69242%0.42SS*.THydrogen-bonded Turntrans-64.9-21.4-178.862.3174.3000113.8H34 T38H34-I36 PolarHBondContact O-N 3.37Å; H34-I36 VanDerWaalsContact O-N 3.15Å; I36-T38 PolarHBondContact O-N 3.36Å
37Y82.7Confident86.2Confident200 Ų20093.5 Ų93.578%0.78445%0.449SS*.THydrogen-bonded Turntrans-85.44.3-177-60.7-69.3000113.2N35N35-Y37 PolarHBondContact O-N 3.39Å; N35-Y37 WeakPolarHBondContact OD1-CD2 3.34Å; N35-Y37 PolarHBondContact OD1-N 3.02Å; N35-Y37 VanDerWaalsContact OD1-N 3.09Å
38T75Confident86.1Confident28 Ų2892.7 Ų92.717%0.17245%0.449CS..  trans-128.7114.6-178.4-49.80000109.4N35 I36 E40 R43N35-T38 PolarHBondContact O-N 2.88Å; I36-T38 PolarHBondContact O-N 3.36Å; T38-E40 HydrophobicContact CG2-CB 3.59Å; T38-E40 HydrophobicContact CG2-CG 3.53Å; T38-E40 VanDerWaalsContact CG2-OE2 3.28Å; T38-E40 WeakPolarHBondContact CG2-OE2 3.37Å; T38-E40 PolarHBondContact O-N 3.29Å; T38-R43 PolarHBondContact OG1-NH1 3.08Å
39N66.7Low86.1Confident162 Ų16291.5 Ų91.587%0.86644%0.441SS*.  trans-80.316.1174.9-69.1-24.3000112.9D41N39-D41 PolarHBondContact O-N 3.01Å
40E69.4Low86Confident91 Ų9194.6 Ų94.643%0.42546%0.457SS..  trans-81.6106.7-178.7-70.2163.4-16900109.6T38 E42 R43T38-E40 HydrophobicContact CG2-CB 3.59Å; T38-E40 HydrophobicContact CG2-CG 3.53Å; T38-E40 VanDerWaalsContact CG2-OE2 3.28Å; T38-E40 WeakPolarHBondContact CG2-OE2 3.37Å; T38-E40 PolarHBondContact O-N 3.29Å; E40-E42 PolarHBondContact O-N 3.24Å; E40-R43 HydrophobicContact CB-CG 4.23Å; E40-R43 PolarHBondContact O-N 3.06Å; E40-R43 IonicContact OE1-NH2 3.36Å; E40-R43 IonicContact OE2-CZ 2.83Å; E40-R43 IonicContact OE2-NE 3.7Å; E40-R43 PolarHBondContact OE2-NE 3.05Å; E40-R43 IonicContact OE2-NH2 3.87Å; E40-R43 PolarHBondContact OE2-NH2 3.11Å; E40-R43 VanDerWaalsContact OE2-NH2 3.13Å
41D75.8Confident85.9Confident103 Ų10395.2 Ų95.255%0.55147%0.466SS*.Hα-helixtrans-59-23.5169.5-75.3-36.8000112.1N39 R43 K44N39-D41 PolarHBondContact O-N 3.01Å; D41-R43 VanDerWaalsContact C-N 3.28Å; D41-R43 PolarHBondContact O-N 3.24Å; D41-K44 WeakPolarHBondContact O-CB 3.42Å; D41-K44 PolarHBondContact O-N 3.21Å; D41-K44 IonicContact OD1-NZ 2.78Å; D41-K44 PolarHBondContact OD1-NZ 3.17Å
42E81.6Confident85.9Confident157 Ų15789.8 Ų89.873%0.73444%0.438SS*.Hα-helixtrans-56.1-39.5175.3-62.2-171.417300112.6E40 K44 N45E40-E42 PolarHBondContact O-N 3.24Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.16Å; E42-N45 PolarHBondContact O-N 2.91Å
43R86.2Confident86Confident51 Ų5191.9 Ų91.919%0.19246%0.456CS..Hα-helixtrans-68.5-33.2-179-66-166.5-171170.810.4113Y32 T38 E40 D41 N45 V46Y32-R43 HydrophobicContact CE1-CB 4.12Å; Y32-R43 HydrophobicContact CE1-CG 3.9Å; T38-R43 PolarHBondContact OG1-NH1 3.08Å; E40-R43 HydrophobicContact CB-CG 4.23Å; E40-R43 PolarHBondContact O-N 3.06Å; E40-R43 IonicContact OE1-NH2 3.36Å; E40-R43 IonicContact OE2-CZ 2.83Å; E40-R43 IonicContact OE2-NE 3.7Å; E40-R43 PolarHBondContact OE2-NE 3.05Å; E40-R43 IonicContact OE2-NH2 3.87Å; E40-R43 PolarHBondContact OE2-NH2 3.11Å; E40-R43 VanDerWaalsContact OE2-NH2 3.13Å; D41-R43 VanDerWaalsContact C-N 3.28Å; D41-R43 PolarHBondContact O-N 3.24Å; R43-N45 PolarHBondContact O-N 3.39Å; R43-V46 WeakPolarHBondContact O-CB 3.42Å; R43-V46 PolarHBondContact O-N 3.11Å
44K85.8Confident86.1Confident126 Ų12695.8 Ų95.855%0.54847%0.469SS..Hα-helixtrans-62.4-30.8178-63.1175.6-172.5157.30111.2D41 E42D41-K44 WeakPolarHBondContact O-CB 3.42Å; D41-K44 PolarHBondContact O-N 3.21Å; D41-K44 IonicContact OD1-NZ 2.78Å; D41-K44 PolarHBondContact OD1-NZ 3.17Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.16Å
45N87.7Confident86.3Confident123 Ų12391 Ų9166%0.65845%0.447SS*.THydrogen-bonded Turntrans-82.3-8.8-178.5-65.2-30.4000114.2E42 R43 Q47E42-N45 PolarHBondContact O-N 2.91Å; R43-N45 PolarHBondContact O-N 3.39Å; N45-Q47 PolarHBondContact O-N 3.45Å; N45-Q47 VanDerWaalsContact O-N 3.14Å
46V91.7Very high86.6Confident20 Ų2091.2 Ų91.212%0.12145%0.447CS..  trans-67.9111-175.9169.90000111.3L29 Y32 K33 R43 S48 N51 I52L29-V46 HydrophobicContact CD1-CG1 4.05Å; Y32-V46 HydrophobicContact CD1-CG1 4.46Å; Y32-V46 HydrophobicContact CE1-CB 4.37Å; Y32-V46 HydrophobicContact CE1-CG1 4.34Å; Y32-V46 HydrophobicContact CE1-CG2 4.09Å; K33-V46 WeakPolarHBondContact CE-O 3.47Å; K33-V46 PolarHBondContact NZ-O 2.69Å; K33-V46 VanDerWaalsContact NZ-O 3.09Å; R43-V46 WeakPolarHBondContact O-CB 3.42Å; R43-V46 PolarHBondContact O-N 3.11Å; V46-S48 WeakPolarHBondContact CG1-O 3.5Å; V46-N51 HydrophobicContact CG1-CB 4.05Å; V46-I52 HydrophobicContact CG1-CD1 4.5Å; V46-I52 HydrophobicContact CG1-CG1 3.81Å
47Q90.3Very high87.2Confident166 Ų16689.3 Ų89.378%0.77644%0.436SS*.  trans-88.2-21.4-175.6-64-154.7-13.900115.3N45N45-Q47 PolarHBondContact O-N 3.45Å; N45-Q47 VanDerWaalsContact O-N 3.14Å
48S92.8Very high87.8Confident46 Ų4684 Ų8432%0.32242%0.418SS..SBendtrans-135.5150.3-172.8-1800000111.5V46 L50 N51V46-S48 WeakPolarHBondContact CG1-O 3.5Å; S48-L50 PolarHBondContact O-N 3.33Å; S48-L50 PolarHBondContact OG-N 2.81Å; S48-N51 PolarHBondContact O-N 3.27Å
49L93.5Very high88.7Confident18 Ų1886.5 Ų86.59%0.09442%0.424CS..G310 helixtrans-57.7-30.2171.2-65.7-179.3000112.2D25 T28 L29 N51 I52 I55 W59D25-L49 HydrophobicContact CB-CD1 3.59Å; T28-L49 HydrophobicContact CG2-CD2 3.96Å; L29-L49 HydrophobicContact CB-CD2 3.74Å; L29-L49 HydrophobicContact CD1-CD2 4.48Å; L49-N51 PolarHBondContact O-N 2.83Å; L49-N51 VanDerWaalsContact O-N 3.13Å; L49-I52 HydrophobicContact CD2-CD1 3.94Å; L49-I52 WeakPolarHBondContact O-CB 3.42Å; L49-I52 PolarHBondContact O-N 2.63Å; L49-I52 VanDerWaalsContact O-N 3.08Å; L49-I55 HydrophobicContact CB-CD1 3.85Å; L49-I55 HydrophobicContact CB-CG2 4.36Å; L49-I55 HydrophobicContact CD2-CD1 3.54Å; L49-I55 HydrophobicContact CG-CD1 4.19Å; L49-W59 HydrophobicContact CB-CH2 4.01Å; L49-W59 HydrophobicContact CB-CZ2 4.38Å; L49-W59 HydrophobicContact CD1-CH2 4.4Å; L49-W59 HydrophobicContact CD1-CZ2 4.3Å
50L91.8Very high90.1Very high99 Ų9985.4 Ų85.452%0.51841%0.412SS..G310 helixtrans-62.6-16.4176.3-76.1169.4000113.9S48 I56 W59S48-L50 PolarHBondContact O-N 3.33Å; S48-L50 PolarHBondContact OG-N 2.81Å; L50-I56 WeakPolarHBondContact O-CD1 3.41Å; L50-I56 WeakPolarHBondContact O-CG1 3.41Å; L50-W59 HydrophobicContact CD2-CE3 3.51Å; L50-W59 HydrophobicContact CD2-CH2 4.5Å; L50-W59 HydrophobicContact CD2-CZ3 3.28Å; L50-W59 HydrophobicContact CG-CE3 4.38Å; L50-W59 HydrophobicContact CG-CZ3 3.67Å
51N92.4Very high91.4Very high100 Ų10088.2 Ų88.254%0.53542%0.423SS..G310 helixtrans-99.71.5180-62.2-8.9000111.8V46 S48 L49V46-N51 HydrophobicContact CG1-CB 4.05Å; S48-N51 PolarHBondContact O-N 3.27Å; L49-N51 PolarHBondContact O-N 2.83Å; L49-N51 VanDerWaalsContact O-N 3.13Å
52I93.8Very high92.4Very high0 Ų089.1 Ų89.10%042%0.423CS..SBendtrans-89.9118.7177.7-60.8-178.3000108.6L29 Y32 V46 L49 W54 I55 I56L29-I52 HydrophobicContact CD1-CD1 4.03Å; Y32-I52 HydrophobicContact CD1-CD1 3.64Å; Y32-I52 HydrophobicContact CD1-CG1 3.78Å; Y32-I52 HydrophobicContact CD2-CD1 4.41Å; Y32-I52 HydrophobicContact CD2-CG2 4.05Å; Y32-I52 HydrophobicContact CE1-CD1 4.23Å; Y32-I52 HydrophobicContact CE1-CG1 3.85Å; Y32-I52 HydrophobicContact CE1-CG2 4.32Å; Y32-I52 HydrophobicContact CE2-CG2 3.85Å; Y32-I52 HydrophobicContact CG-CD1 3.73Å; Y32-I52 HydrophobicContact CG-CG1 4.23Å; Y32-I52 HydrophobicContact CG-CG2 4.36Å; V46-I52 HydrophobicContact CG1-CD1 4.5Å; V46-I52 HydrophobicContact CG1-CG1 3.81Å; L49-I52 HydrophobicContact CD2-CD1 3.94Å; L49-I52 WeakPolarHBondContact O-CB 3.42Å; L49-I52 PolarHBondContact O-N 2.63Å; L49-I52 VanDerWaalsContact O-N 3.08Å; I52-W54 VanDerWaalsContact CG2-CD1 3.43Å; I52-W54 HydrophobicContact CG2-CD2 4.19Å; I52-W54 HydrophobicContact CG2-CG 4.04Å; I52-W54 HydrophobicContact CG2-CZ2 4.33Å; I52-W54 PolarHBondContact O-N 3.13Å; I52-I55 HydrophobicContact CB-CB 4.12Å; I52-I55 HydrophobicContact CB-CD1 3.79Å; I52-I55 HydrophobicContact CB-CG1 3.89Å; I52-I55 HydrophobicContact CD1-CD1 3.72Å; I52-I55 HydrophobicContact CG1-CD1 4.22Å; I52-I55 HydrophobicContact CG2-CB 4.4Å; I52-I55 HydrophobicContact CG2-CD1 4Å; I52-I55 HydrophobicContact CG2-CG1 3.82Å; I52-I55 WeakPolarHBondContact O-CB 3.37Å; I52-I55 PolarHBondContact O-N 3.29Å; I52-I56 WeakPolarHBondContact O-CG1 3.17Å; I52-I56 PolarHBondContact O-N 2.82Å; I52-I56 VanDerWaalsContact O-N 3.11Å
53P92.9Very high93Very high80 Ų8086.4 Ų86.452%0.51942%0.42SS..Hα-helixtrans-55.2-45.6-170.5-29.635.3000114.7I55 I56 E57P53-I55 VanDerWaalsContact C-N 3.29Å; P53-I55 PolarHBondContact O-N 3.22Å; P53-I56 PolarHBondContact O-N 2.7Å; P53-E57 PolarHBondContact O-N 3.27Å
54W94.2Very high93.2Very high142 Ų14289.6 Ų89.654%0.53843%0.432SS..Hα-helixtrans-69.5-27.7-178.965.8-99.9000112.6T28 I52 E58T28-W54 HydrophobicContact CG2-CH2 3.5Å; T28-W54 VanDerWaalsContact CG2-CH2 3.5Å; T28-W54 HydrophobicContact CG2-CZ2 3.51Å; I52-W54 VanDerWaalsContact CG2-CD1 3.43Å; I52-W54 HydrophobicContact CG2-CD2 4.19Å; I52-W54 HydrophobicContact CG2-CG 4.04Å; I52-W54 HydrophobicContact CG2-CZ2 4.33Å; I52-W54 PolarHBondContact O-N 3.13Å; W54-E58 WeakPolarHBondContact O-CB 3.12Å; W54-E58 PolarHBondContact O-N 3.43Å
55I95.1Very high93.5Very high5 Ų592.5 Ų92.53%0.02644%0.444CS..Hα-helixtrans-71.5-40.2175.3-63-175.5000110.5T28 L49 I52 P53 E57 E58 W59T28-I55 HydrophobicContact CG2-CD1 3.81Å; L49-I55 HydrophobicContact CB-CD1 3.85Å; L49-I55 HydrophobicContact CB-CG2 4.36Å; L49-I55 HydrophobicContact CD2-CD1 3.54Å; L49-I55 HydrophobicContact CG-CD1 4.19Å; I52-I55 HydrophobicContact CB-CB 4.12Å; I52-I55 HydrophobicContact CB-CD1 3.79Å; I52-I55 HydrophobicContact CB-CG1 3.89Å; I52-I55 HydrophobicContact CD1-CD1 3.72Å; I52-I55 HydrophobicContact CG1-CD1 4.22Å; I52-I55 HydrophobicContact CG2-CB 4.4Å; I52-I55 HydrophobicContact CG2-CD1 4Å; I52-I55 HydrophobicContact CG2-CG1 3.82Å; I52-I55 WeakPolarHBondContact O-CB 3.37Å; I52-I55 PolarHBondContact O-N 3.29Å; P53-I55 VanDerWaalsContact C-N 3.29Å; P53-I55 PolarHBondContact O-N 3.22Å; I55-E57 VanDerWaalsContact C-N 3.29Å; I55-E57 PolarHBondContact O-N 3.38Å; I55-E58 PolarHBondContact O-N 3Å; I55-W59 HydrophobicContact CG2-CD2 3.71Å; I55-W59 HydrophobicContact CG2-CE3 4.2Å; I55-W59 HydrophobicContact CG2-CG 4.12Å; I55-W59 HydrophobicContact CG2-CH2 4.29Å; I55-W59 HydrophobicContact CG2-CZ2 3.81Å; I55-W59 HydrophobicContact CG2-CZ3 4.48Å; I55-W59 WeakPolarHBondContact O-CB 3.41Å; I55-W59 PolarHBondContact O-N 3.23Å
56I94.8Very high93.6Very high63 Ų6391.8 Ų91.832%0.32345%0.446SS..Hα-helixtrans-57.6-47.2176.2-63.1168.3000109.8L50 I52 P53 W59 K60L50-I56 WeakPolarHBondContact O-CD1 3.41Å; L50-I56 WeakPolarHBondContact O-CG1 3.41Å; I52-I56 WeakPolarHBondContact O-CG1 3.17Å; I52-I56 PolarHBondContact O-N 2.82Å; I52-I56 VanDerWaalsContact O-N 3.11Å; P53-I56 PolarHBondContact O-N 2.7Å; I56-W59 PolarHBondContact O-N 3.26Å; I56-K60 WeakPolarHBondContact O-CG 3.39Å; I56-K60 PolarHBondContact O-N 2.9Å; I56-K60 VanDerWaalsContact O-N 3.07Å
57E96.3Very high93.6Very high96 Ų9695 Ų9545%0.44946%0.463SS..Hα-helixtrans-66.1-37.9177.8-64.9-48.9128.700112.8P53 I55 K60 K61P53-E57 PolarHBondContact O-N 3.27Å; I55-E57 VanDerWaalsContact C-N 3.29Å; I55-E57 PolarHBondContact O-N 3.38Å; E57-K60 PolarHBondContact O-N 3.06Å; E57-K60 IonicContact OE1-NZ 3.18Å; E57-K60 PolarHBondContact OE1-NZ 3.18Å; E57-K60 IonicContact OE2-NZ 3.55Å; E57-K61 PolarHBondContact O-N 2.85Å
58E95.8Very high93.7Very high89 Ų8990.6 Ų90.642%0.41645%0.448SS..Hα-helixtrans-65.4-45176.1-17359.6-159.800111.7W54 I55 K60 K61 H62W54-E58 WeakPolarHBondContact O-CB 3.12Å; W54-E58 PolarHBondContact O-N 3.43Å; I55-E58 PolarHBondContact O-N 3Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 3.08Å; E58-K61 PolarHBondContact O-N 2.96Å; E58-K61 VanDerWaalsContact O-N 3.14Å; E58-H62 PolarHBondContact O-N 3.23Å; E58-H62 IonicContact OE1-CD2 3.29Å; E58-H62 PolarHBondContact OE1-CD2 2.94Å; E58-H62 VanDerWaalsContact OE1-CD2 3.29Å
59W95.1Very high93.6Very high79 Ų7992.9 Ų92.930%0.29946%0.456SS..Hα-helixtrans-71.4-21.4179.8-72.81.3000113.5L49 L50 I55 I56 H62 P63L49-W59 HydrophobicContact CB-CH2 4.01Å; L49-W59 HydrophobicContact CB-CZ2 4.38Å; L49-W59 HydrophobicContact CD1-CH2 4.4Å; L49-W59 HydrophobicContact CD1-CZ2 4.3Å; L50-W59 HydrophobicContact CD2-CE3 3.51Å; L50-W59 HydrophobicContact CD2-CH2 4.5Å; L50-W59 HydrophobicContact CD2-CZ3 3.28Å; L50-W59 HydrophobicContact CG-CE3 4.38Å; L50-W59 HydrophobicContact CG-CZ3 3.67Å; I55-W59 HydrophobicContact CG2-CD2 3.71Å; I55-W59 HydrophobicContact CG2-CE3 4.2Å; I55-W59 HydrophobicContact CG2-CG 4.12Å; I55-W59 HydrophobicContact CG2-CH2 4.29Å; I55-W59 HydrophobicContact CG2-CZ2 3.81Å; I55-W59 HydrophobicContact CG2-CZ3 4.48Å; I55-W59 WeakPolarHBondContact O-CB 3.41Å; I55-W59 PolarHBondContact O-N 3.23Å; I56-W59 PolarHBondContact O-N 3.26Å; W59-H62 CarbonylContact O-C 3.5Å; W59-P63 VanDerWaalsContact O-CA 3.25Å; W59-P63 WeakPolarHBondContact O-CA 3.27Å
60K95.4Very high93.4Very high139 Ų13996.1 Ų96.160%0.60448%0.48SS*.Hα-helixtrans-65.5-40.2168.1-76.9172.1-177170.40111.8I56 E57 E58I56-K60 WeakPolarHBondContact O-CG 3.39Å; I56-K60 PolarHBondContact O-N 2.9Å; I56-K60 VanDerWaalsContact O-N 3.07Å; E57-K60 PolarHBondContact O-N 3.06Å; E57-K60 IonicContact OE1-NZ 3.18Å; E57-K60 PolarHBondContact OE1-NZ 3.18Å; E57-K60 IonicContact OE2-NZ 3.55Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 3.08Å
61K96.9Very high93.3Very high150 Ų15093.8 Ų93.865%0.65247%0.468SS*.Hα-helixtrans-79.7-40.4178.7-64.4177.3-176.11750111.9E57 E58E57-K61 PolarHBondContact O-N 2.85Å; E58-K61 PolarHBondContact O-N 2.96Å; E58-K61 VanDerWaalsContact O-N 3.14Å
62H95.7Very high93.3Very high122 Ų12293.8 Ų93.857%0.56547%0.465SS*.SBendtrans-129.279.1-174.4-61.9-61.1000110.2E58 W59 R64E58-H62 PolarHBondContact O-N 3.23Å; E58-H62 IonicContact OE1-CD2 3.29Å; E58-H62 PolarHBondContact OE1-CD2 2.94Å; E58-H62 VanDerWaalsContact OE1-CD2 3.29Å; W59-H62 CarbonylContact O-C 3.5Å; H62-R64 PolarHBondContact O-N 3.35Å
63P94.3Very high93.2Very high101 Ų10198 Ų9866%0.65648%0.481SS*.PPolyproline II helixtrans-63.8130.6-177.324.9-33.7000111W59W59-P63 VanDerWaalsContact O-CA 3.25Å; W59-P63 WeakPolarHBondContact O-CA 3.27Å
64R91.5Very high93.1Very high118 Ų11897.8 Ų97.845%0.44548%0.479SS..PPolyproline II helixtrans-72.3132.5178.1-163.7-179.5-157.1161.610.7110.5N22 D25 H62N22-R64 PolarHBondContact ND2-NH2 2.88Å; D25-R64 IonicContact OD1-CZ 2.83Å; D25-R64 VanDerWaalsContact OD1-CZ 3.28Å; D25-R64 IonicContact OD1-NH1 3.28Å; D25-R64 PolarHBondContact OD1-NH1 3.39Å; D25-R64 IonicContact OD1-NH2 3.28Å; D25-R64 PolarHBondContact OD1-NH2 2.81Å; D25-R64 IonicContact OD2-CZ 2.63Å; D25-R64 VanDerWaalsContact OD2-CZ 3.28Å; D25-R64 IonicContact OD2-NH1 2.7Å; D25-R64 PolarHBondContact OD2-NH1 3.15Å; D25-R64 IonicContact OD2-NH2 3.13Å; D25-R64 PolarHBondContact OD2-NH2 3.29Å; H62-R64 PolarHBondContact O-N 3.35Å
65K91.9Very high92.9Very high186 Ų18696 Ų9681%0.80948%0.48SS*.PPolyproline II helixtrans-65.1137.6172.2-66.5-179-179177.60110
66P90.3Very high92.9Very high109 Ų109103.3 Ų103.371%0.70851%0.514SS*.PPolyproline II helixtrans-63.7149.2176.827.4-34.3000110.6
67L90.6Very high93Very high88 Ų88104.9 Ų104.946%0.46152%0.52SS..PPolyproline II helixtrans-61.2154.4172.9-70.1177.2000110.5L71 Q72L67-L71 HydrophobicContact CB-CB 4.44Å; L67-Q72 HydrophobicContact CB-CG 3.89Å; L67-Q72 PolarHBondContact O-NE2 2.86Å
68P92.5Very high92.9Very high73 Ų73102 Ų10247%0.47451%0.512SS..PPolyproline II helixtrans-59.4145.617026.7-34.8000110.3S70 L71 Q72P68-S70 PolarHBondContact O-N 3.22Å; P68-S70 VanDerWaalsContact O-N 3.07Å; P68-L71 HydrophobicContact CG-CB 4.22Å; P68-L71 HydrophobicContact CG-CD1 3.69Å; P68-L71 HydrophobicContact CG-CG 3.86Å; P68-L71 PolarHBondContact O-N 2.89Å; P68-Q72 PolarHBondContact O-N 3.38Å
69L91.2Very high92.9Very high94 Ų9499.7 Ų99.749%0.49251%0.508SS..Hα-helixtrans-53.9-33.3-177.5-70.4171.5000113.2L71 Q72 W73L69-L71 PolarHBondContact O-N 3.3Å; L69-L71 VanDerWaalsContact O-N 3.17Å; L69-Q72 PolarHBondContact O-N 3.07Å; L69-Q72 VanDerWaalsContact O-N 3.08Å; L69-W73 HydrophobicContact CB-CD2 4.23Å; L69-W73 HydrophobicContact CB-CE3 4.35Å; L69-W73 HydrophobicContact CB-CH2 3.89Å; L69-W73 HydrophobicContact CB-CZ2 3.75Å; L69-W73 HydrophobicContact CB-CZ3 4.19Å; L69-W73 HydrophobicContact CD1-CH2 3.98Å; L69-W73 HydrophobicContact CD1-CZ2 3.73Å; L69-W73 HydrophobicContact CD2-CZ2 4.01Å; L69-W73 HydrophobicContact CG-CH2 4.46Å; L69-W73 HydrophobicContact CG-CZ2 4.04Å; L69-W73 PolarHBondContact O-N 3.46Å
70S88.9Confident93Very high86 Ų86100 Ų10060%0.60152%0.519SS*.Hα-helixtrans-63.2-17.3176.156.80000114.8P68P68-S70 PolarHBondContact O-N 3.22Å; P68-S70 VanDerWaalsContact O-N 3.07Å
71L90.7Very high93.1Very high50 Ų5098.1 Ų98.126%0.26251%0.511SS..Hα-helixtrans-104.9-11174.6-64.2-178.3000112.9R18 L67 P68 L69R18-L71 HydrophobicContact CB-CD2 4.3Å; L67-L71 HydrophobicContact CB-CB 4.44Å; P68-L71 HydrophobicContact CG-CB 4.22Å; P68-L71 HydrophobicContact CG-CD1 3.69Å; P68-L71 HydrophobicContact CG-CG 3.86Å; P68-L71 PolarHBondContact O-N 2.89Å; L69-L71 PolarHBondContact O-N 3.3Å; L69-L71 VanDerWaalsContact O-N 3.17Å
72Q90.7Very high93.1Very high100 Ų10097.1 Ų97.147%0.46751%0.512SS..Hα-helixtrans-91.1-36.9178-64.1-17313.800112.2L67 P68 L69L67-Q72 HydrophobicContact CB-CG 3.89Å; L67-Q72 PolarHBondContact O-NE2 2.86Å; P68-Q72 PolarHBondContact O-N 3.38Å; L69-Q72 PolarHBondContact O-N 3.07Å; L69-Q72 VanDerWaalsContact O-N 3.08Å
73W91.5Very high93.2Very high87 Ų8795.8 Ų95.833%0.3351%0.506SS..SBendtrans-72.8141.6-175.8-66.3-30.2000112.6L69 E77 A78 K81L69-W73 HydrophobicContact CB-CD2 4.23Å; L69-W73 HydrophobicContact CB-CE3 4.35Å; L69-W73 HydrophobicContact CB-CH2 3.89Å; L69-W73 HydrophobicContact CB-CZ2 3.75Å; L69-W73 HydrophobicContact CB-CZ3 4.19Å; L69-W73 HydrophobicContact CD1-CH2 3.98Å; L69-W73 HydrophobicContact CD1-CZ2 3.73Å; L69-W73 HydrophobicContact CD2-CZ2 4.01Å; L69-W73 HydrophobicContact CG-CH2 4.46Å; L69-W73 HydrophobicContact CG-CZ2 4.04Å; L69-W73 PolarHBondContact O-N 3.46Å; W73-E77 WeakPolarHBondContact CA-OE2 3.39Å; W73-E77 HydrophobicContact CB-CB 4.05Å; W73-E77 HydrophobicContact CG-CB 4.26Å; W73-A78 HydrophobicContact CB-CB 4.14Å; W73-A78 HydrophobicContact CE3-CB 4.24Å; W73-K81 HydrophobicContact CH2-CB 4.44Å; W73-K81 HydrophobicContact CH2-CG 4.05Å; W73-K81 HydrophobicContact CZ2-CG 4.09Å; W73-K81 HydrophobicContact CZ3-CB 4.39Å; W73-K81 HydrophobicContact CZ3-CG 4.3Å
74T91.3Very high93.4Very high77 Ų7793.8 Ų93.847%0.47249%0.494SS..  trans-65.5160.3160.966.50000110.3E76 E77 A78T74-E76 PolarHBondContact O-N 3.45Å; T74-E77 PolarHBondContact N-OE2 3.46Å; T74-E77 PolarHBondContact O-N 2.81Å; T74-E77 VanDerWaalsContact OG1-CG 3.28Å; T74-E77 WeakPolarHBondContact OG1-CG 3.25Å; T74-E77 PolarHBondContact OG1-N 3.25Å; T74-E77 PolarHBondContact OG1-OE2 3.46Å; T74-A78 WeakPolarHBondContact O-CB 3.42Å; T74-A78 PolarHBondContact O-N 3.5Å
75D90.1Very high93.7Very high105 Ų10595.8 Ų95.856%0.56150%0.503SS*.Hα-helixtrans-58.2-34.2177.9-71.1-21.3000111.1R12 A79R12-D75 IonicContact NH1-OD2 2.81Å; D75-A79 VanDerWaalsContact O-CB 3.27Å; D75-A79 WeakPolarHBondContact O-CB 3.34Å; D75-A79 PolarHBondContact O-N 3.14Å
76E95.5Very high94Very high158 Ų15894 Ų9474%0.73849%0.491SS*.Hα-helixtrans-70.2-44.6177.3-65.5-178.1179.300113.3T74 A79 T80T74-E76 PolarHBondContact O-N 3.45Å; E76-A79 PolarHBondContact O-N 3.38Å; E76-T80 WeakPolarHBondContact O-CB 3.28Å; E76-T80 PolarHBondContact O-N 2.85Å; E76-T80 PolarHBondContact O-OG1 3.27Å
77E96.1Very high94.4Very high96 Ų9695.8 Ų95.845%0.44948%0.484SS..Hα-helixtrans-63-45175.8-73.2172.1144.300110.8W73 T74 A79 T80 K81W73-E77 WeakPolarHBondContact CA-OE2 3.39Å; W73-E77 HydrophobicContact CB-CB 4.05Å; W73-E77 HydrophobicContact CG-CB 4.26Å; T74-E77 PolarHBondContact N-OE2 3.46Å; T74-E77 PolarHBondContact O-N 2.81Å; T74-E77 VanDerWaalsContact OG1-CG 3.28Å; T74-E77 WeakPolarHBondContact OG1-CG 3.25Å; T74-E77 PolarHBondContact OG1-N 3.25Å; T74-E77 PolarHBondContact OG1-OE2 3.46Å; E77-A79 PolarHBondContact O-N 3.17Å; E77-T80 PolarHBondContact O-N 2.92Å; E77-K81 WeakPolarHBondContact O-CG 3.42Å; E77-K81 PolarHBondContact O-N 3.35Å
78A94.7Very high94.7Very high36 Ų3692.6 Ų92.630%0.29847%0.472SS..Hα-helixtrans-61.7-43.9176.900000111.3W73 T74 K81 L82W73-A78 HydrophobicContact CB-CB 4.14Å; W73-A78 HydrophobicContact CE3-CB 4.24Å; T74-A78 WeakPolarHBondContact O-CB 3.42Å; T74-A78 PolarHBondContact O-N 3.5Å; A78-K81 PolarHBondContact O-N 3.38Å; A78-L82 WeakPolarHBondContact O-CB 3.36Å; A78-L82 PolarHBondContact O-N 2.9Å
79A96.7Very high95Very high40 Ų4094.5 Ų94.533%0.33147%0.47SS..Hα-helixtrans-60.8-44.8175.100000111.6D75 E76 E77 K81 L82 Q83D75-A79 VanDerWaalsContact O-CB 3.27Å; D75-A79 WeakPolarHBondContact O-CB 3.34Å; D75-A79 PolarHBondContact O-N 3.14Å; E76-A79 PolarHBondContact O-N 3.38Å; E77-A79 PolarHBondContact O-N 3.17Å; A79-K81 PolarHBondContact O-N 2.86Å; A79-L82 PolarHBondContact O-N 3.07Å; A79-Q83 WeakPolarHBondContact O-CB 3.21Å; A79-Q83 WeakPolarHBondContact O-CG 3.48Å; A79-Q83 PolarHBondContact O-N 2.68Å
80T97.4Very high95.4Very high85 Ų8593.8 Ų93.852%0.52147%0.467SS..Hα-helixtrans-60.3-46.3177.9-610000111.4E76 E77 Q83 S84E76-T80 WeakPolarHBondContact O-CB 3.28Å; E76-T80 PolarHBondContact O-N 2.85Å; E76-T80 PolarHBondContact O-OG1 3.27Å; E77-T80 PolarHBondContact O-N 2.92Å; T80-Q83 PolarHBondContact O-N 3.32Å; T80-S84 WeakPolarHBondContact O-CB 3.4Å; T80-S84 PolarHBondContact O-N 3.48Å; T80-S84 PolarHBondContact O-OG 2.96Å
81K96.5Very high95.8Very high100 Ų10093.5 Ų93.544%0.43546%0.461SS..Hα-helixtrans-57.8-54.1173.8-68.6-63.6179.5-174.20110.2W73 E77 A78 A79 Q83 S84 Y85W73-K81 HydrophobicContact CH2-CB 4.44Å; W73-K81 HydrophobicContact CH2-CG 4.05Å; W73-K81 HydrophobicContact CZ2-CG 4.09Å; W73-K81 HydrophobicContact CZ3-CB 4.39Å; W73-K81 HydrophobicContact CZ3-CG 4.3Å; E77-K81 WeakPolarHBondContact O-CG 3.42Å; E77-K81 PolarHBondContact O-N 3.35Å; A78-K81 PolarHBondContact O-N 3.38Å; A79-K81 PolarHBondContact O-N 2.86Å; K81-Q83 VanDerWaalsContact C-N 3.33Å; K81-Q83 PolarHBondContact O-N 3.32Å; K81-S84 PolarHBondContact O-N 3.48Å; K81-S84 VanDerWaalsContact O-N 3.12Å; K81-S84 PolarHBondContact O-OG 3.48Å; K81-Y85 VanDerWaalsContact O-CD2 3.27Å; K81-Y85 WeakPolarHBondContact O-CD2 3.5Å; K81-Y85 PolarHBondContact O-N 3.43Å
82L96.9Very high96.1Very high128 Ų12895.9 Ų95.967%0.6747%0.467SS*.Hα-helixtrans-55.4-47-179.1-171.869.6000112.4A78 A79 S84 Y85 W86A78-L82 WeakPolarHBondContact O-CB 3.36Å; A78-L82 PolarHBondContact O-N 2.9Å; A79-L82 PolarHBondContact O-N 3.07Å; L82-S84 PolarHBondContact O-N 2.94Å; L82-Y85 PolarHBondContact O-N 3.47Å; L82-W86 WeakPolarHBondContact O-CB 3.36Å; L82-W86 PolarHBondContact O-N 2.94Å
83Q98.3Very high96.4Very high95 Ų9597.8 Ų97.844%0.44447%0.474SS..Hα-helixtrans-62.6-42.4178-70.4173.14.900112.1A79 T80 K81 W86 R87A79-Q83 WeakPolarHBondContact O-CB 3.21Å; A79-Q83 WeakPolarHBondContact O-CG 3.48Å; A79-Q83 PolarHBondContact O-N 2.68Å; T80-Q83 PolarHBondContact O-N 3.32Å; K81-Q83 VanDerWaalsContact C-N 3.33Å; K81-Q83 PolarHBondContact O-N 3.32Å; Q83-W86 PolarHBondContact O-N 2.98Å; Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.3Å
84S98Very high96.7Very high58 Ų5897.2 Ų97.241%0.40648%0.476SS..Hα-helixtrans-62.2-42.2175.773.70000112.3T80 K81 L82 W86 R87 G88T80-S84 WeakPolarHBondContact O-CB 3.4Å; T80-S84 PolarHBondContact O-N 3.48Å; T80-S84 PolarHBondContact O-OG 2.96Å; K81-S84 PolarHBondContact O-N 3.48Å; K81-S84 VanDerWaalsContact O-N 3.12Å; K81-S84 PolarHBondContact O-OG 3.48Å; L82-S84 PolarHBondContact O-N 2.94Å; S84-W86 VanDerWaalsContact C-N 3.33Å; S84-W86 PolarHBondContact O-N 2.94Å; S84-R87 PolarHBondContact O-N 2.92Å; S84-G88 PolarHBondContact O-N 3.29Å
85Y97.6Very high97.1Very high160 Ų16097.9 Ų97.963%0.62748%0.482SS*.Hα-helixtrans-61.8-43.1175.8-89.6-82.6000111.2K81 L82 G88 Y89K81-Y85 VanDerWaalsContact O-CD2 3.27Å; K81-Y85 WeakPolarHBondContact O-CD2 3.5Å; K81-Y85 PolarHBondContact O-N 3.43Å; L82-Y85 PolarHBondContact O-N 3.47Å; Y85-G88 PolarHBondContact O-N 3.08Å; Y85-Y89 WeakPolarHBondContact O-CB 3.38Å; Y85-Y89 PolarHBondContact O-N 3.38Å
86W98.5Very high97.5Very high150 Ų15099 Ų9957%0.56848%0.483SS*.Hα-helixtrans-61.9-49.8177.1178.2-115.3000112.3L82 Q83 S84 G88 Y89 L90L82-W86 WeakPolarHBondContact O-CB 3.36Å; L82-W86 PolarHBondContact O-N 2.94Å; Q83-W86 PolarHBondContact O-N 2.98Å; S84-W86 VanDerWaalsContact C-N 3.33Å; S84-W86 PolarHBondContact O-N 2.94Å; W86-G88 VanDerWaalsContact C-N 3.31Å; W86-G88 PolarHBondContact O-N 3.12Å; W86-Y89 AromaticContact CE3-CD1 3.79Å; W86-Y89 HydrophobicContact CE3-CD1 3.79Å; W86-Y89 HydrophobicContact CE3-CE1 4.44Å; W86-Y89 HydrophobicContact CH2-CD1 4.23Å; W86-Y89 HydrophobicContact CH2-CE1 4.19Å; W86-Y89 AromaticContact CZ3-CD1 3.54Å; W86-Y89 HydrophobicContact CZ3-CD1 3.54Å; W86-Y89 AromaticContact CZ3-CE1 3.73Å; W86-Y89 HydrophobicContact CZ3-CE1 3.73Å; W86-Y89 WeakPolarHBondContact O-CB 3.39Å; W86-Y89 PolarHBondContact O-N 2.69Å; W86-Y89 VanDerWaalsContact O-N 3.08Å; W86-L90 HydrophobicContact CD2-CG 4.4Å; W86-L90 HydrophobicContact CH2-CD2 4.17Å; W86-L90 HydrophobicContact CZ2-CD1 4.37Å; W86-L90 HydrophobicContact CZ2-CD2 3.77Å; W86-L90 HydrophobicContact CZ2-CG 4.22Å; W86-L90 WeakPolarHBondContact O-CG 3.5Å; W86-L90 PolarHBondContact O-N 2.82Å
87R98.4Very high97.6Very high146 Ų14693.4 Ų93.455%0.55146%0.46SS*.Hα-helixtrans-57.7-45.1175.4-68.7176.4-167.7116.13.9111.3Q83 S84 Y89 L90 V91Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.3Å; S84-R87 PolarHBondContact O-N 2.92Å; R87-Y89 VanDerWaalsContact C-N 3.32Å; R87-Y89 PolarHBondContact O-N 3.13Å; R87-L90 PolarHBondContact O-N 3.39Å; R87-V91 WeakPolarHBondContact O-CG2 3.27Å; R87-V91 PolarHBondContact O-N 3.43Å; R87-V91 VanDerWaalsContact O-N 3.13Å
88G98.2Very high97.7Very high21 Ų2191.5 Ų91.522%0.21646%0.457CS..Hα-helixtrans-63.1-36.8175.700000113.1S84 Y85 W86 R92S84-G88 PolarHBondContact O-N 3.29Å; Y85-G88 PolarHBondContact O-N 3.08Å; W86-G88 VanDerWaalsContact C-N 3.31Å; W86-G88 PolarHBondContact O-N 3.12Å; G88-R92 VanDerWaalsContact C-CZ 3.43Å; G88-R92 VanDerWaalsContact C-NH1 3.35Å; G88-R92 WeakPolarHBondContact O-CG 3.35Å; G88-R92 VanDerWaalsContact O-CZ 3.23Å; G88-R92 PolarHBondContact O-N 3.09Å; G88-R92 VanDerWaalsContact O-N 3.1Å; G88-R92 PolarHBondContact O-NH1 3.1Å; G88-R92 VanDerWaalsContact O-NH1 3.17Å
89Y98.1Very high97.9Very high112 Ų11296.5 Ų96.544%0.43947%0.474SS..Hα-helixtrans-64.3-45.5174.8167.2-97.2000111.4Y85 W86 R87 V91 R92 K93Y85-Y89 WeakPolarHBondContact O-CB 3.38Å; Y85-Y89 PolarHBondContact O-N 3.38Å; W86-Y89 AromaticContact CE3-CD1 3.79Å; W86-Y89 HydrophobicContact CE3-CD1 3.79Å; W86-Y89 HydrophobicContact CE3-CE1 4.44Å; W86-Y89 HydrophobicContact CH2-CD1 4.23Å; W86-Y89 HydrophobicContact CH2-CE1 4.19Å; W86-Y89 AromaticContact CZ3-CD1 3.54Å; W86-Y89 HydrophobicContact CZ3-CD1 3.54Å; W86-Y89 AromaticContact CZ3-CE1 3.73Å; W86-Y89 HydrophobicContact CZ3-CE1 3.73Å; W86-Y89 WeakPolarHBondContact O-CB 3.39Å; W86-Y89 PolarHBondContact O-N 2.69Å; W86-Y89 VanDerWaalsContact O-N 3.08Å; R87-Y89 VanDerWaalsContact C-N 3.32Å; R87-Y89 PolarHBondContact O-N 3.13Å; Y89-V91 VanDerWaalsContact C-N 3.35Å; Y89-V91 PolarHBondContact O-N 3.23Å; Y89-R92 PolarHBondContact O-N 3.42Å; Y89-R92 VanDerWaalsContact O-N 3.15Å; Y89-K93 HydrophobicContact CE1-CD 4.47Å; Y89-K93 PolarHBondContact O-N 3.2Å; Y89-K93 VanDerWaalsContact O-N 3.09Å
90L98.5Very high98Very high80 Ų8098.9 Ų98.942%0.41948%0.481SS..Hα-helixtrans-57.6-46.4177.1-69.3177.5000111.8W86 R87 R92 K93W86-L90 HydrophobicContact CD2-CG 4.4Å; W86-L90 HydrophobicContact CH2-CD2 4.17Å; W86-L90 HydrophobicContact CZ2-CD1 4.37Å; W86-L90 HydrophobicContact CZ2-CD2 3.77Å; W86-L90 HydrophobicContact CZ2-CG 4.22Å; W86-L90 WeakPolarHBondContact O-CG 3.5Å; W86-L90 PolarHBondContact O-N 2.82Å; R87-L90 PolarHBondContact O-N 3.39Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.15Å; L90-K93 WeakPolarHBondContact O-CB 3.44Å; L90-K93 PolarHBondContact O-N 3.42Å; L90-K93 VanDerWaalsContact O-N 3.11Å
91V98.3Very high98Very high79 Ų79101.1 Ų101.148%0.47948%0.479SS..Hα-helixtrans-61.4-41.5176.5174.80000111.5R87 Y89 K93 I94 V97R87-V91 WeakPolarHBondContact O-CG2 3.27Å; R87-V91 PolarHBondContact O-N 3.43Å; R87-V91 VanDerWaalsContact O-N 3.13Å; Y89-V91 VanDerWaalsContact C-N 3.35Å; Y89-V91 PolarHBondContact O-N 3.23Å; V91-K93 PolarHBondContact O-N 3.17Å; V91-I94 WeakPolarHBondContact O-CB 3.33Å; V91-I94 PolarHBondContact O-N 3.11Å; V91-V97 HydrophobicContact CG1-CG1 4.39Å; V91-V97 HydrophobicContact CG1-CG2 4.29Å; V91-V97 WeakPolarHBondContact O-CB 3.38Å
92R97.2Very high98Very high101 Ų101101.5 Ų101.538%0.38148%0.483SS..Hα-helixtrans-70.4-10.3177.9-72.6-174.1-62-88.74.2114.4G88 Y89 L90 C98G88-R92 VanDerWaalsContact C-CZ 3.43Å; G88-R92 VanDerWaalsContact C-NH1 3.35Å; G88-R92 WeakPolarHBondContact O-CG 3.35Å; G88-R92 VanDerWaalsContact O-CZ 3.23Å; G88-R92 PolarHBondContact O-N 3.09Å; G88-R92 VanDerWaalsContact O-N 3.1Å; G88-R92 PolarHBondContact O-NH1 3.1Å; G88-R92 VanDerWaalsContact O-NH1 3.17Å; Y89-R92 PolarHBondContact O-N 3.42Å; Y89-R92 VanDerWaalsContact O-N 3.15Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.15Å; R92-C98 PolarHBondContact O-SG 3.11Å
93K97Very high98.1Very high140 Ų140102.3 Ų102.361%0.60948%0.477SS*.Hα-helixtrans-88.4-17175.4-166.8-178174.7-175.60112Y89 L90 V91Y89-K93 HydrophobicContact CE1-CD 4.47Å; Y89-K93 PolarHBondContact O-N 3.2Å; Y89-K93 VanDerWaalsContact O-N 3.09Å; L90-K93 WeakPolarHBondContact O-CB 3.44Å; L90-K93 PolarHBondContact O-N 3.42Å; L90-K93 VanDerWaalsContact O-N 3.11Å; V91-K93 PolarHBondContact O-N 3.17Å
94I98.4Very high98.1Very high74 Ų74101.4 Ų101.438%0.37947%0.473SS..SBendtrans-62.9124.9178.2-63.7173.6000108.7V91 E96 V97 C98V91-I94 WeakPolarHBondContact O-CB 3.33Å; V91-I94 PolarHBondContact O-N 3.11Å; I94-E96 VanDerWaalsContact C-N 3.31Å; I94-E96 HydrophobicContact CG2-CB 4.45Å; I94-E96 WeakPolarHBondContact CG2-OE2 3.2Å; I94-E96 PolarHBondContact O-N 3.45Å; I94-V97 HydrophobicContact CB-CB 4.17Å; I94-V97 HydrophobicContact CB-CG2 3.9Å; I94-V97 HydrophobicContact CG2-CG2 4.01Å; I94-V97 WeakPolarHBondContact O-CA 3.43Å; I94-V97 WeakPolarHBondContact O-CB 3.49Å; I94-V97 PolarHBondContact O-N 3.03Å; I94-C98 PolarHBondContact O-N 2.95Å; I94-C98 PolarHBondContact O-SG 3.37Å
95P98.5Very high98.1Very high92 Ų92104 Ų10460%0.59748%0.48SS*.Hα-helixtrans-53.2-43.6-174.2-29.236.3000114.2V97 C98 E99P95-V97 VanDerWaalsContact C-N 3.28Å; P95-V97 PolarHBondContact O-N 3.01Å; P95-C98 WeakPolarHBondContact O-CB 3.5Å; P95-C98 PolarHBondContact O-N 3.26Å; P95-C98 VanDerWaalsContact O-N 3.11Å; P95-E99 PolarHBondContact O-N 2.99Å
96E98.4Very high98.1Very high127 Ų127101.2 Ų101.259%0.59347%0.473SS*.Hα-helixtrans-64.1-35.8179.9-59.979.3-17800111.2I94 L100I94-E96 VanDerWaalsContact C-N 3.31Å; I94-E96 HydrophobicContact CG2-CB 4.45Å; I94-E96 WeakPolarHBondContact CG2-OE2 3.2Å; I94-E96 PolarHBondContact O-N 3.45Å; E96-L100 VanDerWaalsContact O-CB 3.3Å; E96-L100 WeakPolarHBondContact O-CB 3.01Å; E96-L100 PolarHBondContact O-N 3.33Å
97V98.3Very high98.1Very high41 Ų41100.6 Ų100.625%0.24847%0.47CS..Hα-helixtrans-72.5-37.8175.1178.70000110.7V91 I94 P95 R101V91-V97 HydrophobicContact CG1-CG1 4.39Å; V91-V97 HydrophobicContact CG1-CG2 4.29Å; V91-V97 WeakPolarHBondContact O-CB 3.38Å; I94-V97 HydrophobicContact CB-CB 4.17Å; I94-V97 HydrophobicContact CB-CG2 3.9Å; I94-V97 HydrophobicContact CG2-CG2 4.01Å; I94-V97 WeakPolarHBondContact O-CA 3.43Å; I94-V97 WeakPolarHBondContact O-CB 3.49Å; I94-V97 PolarHBondContact O-N 3.03Å; P95-V97 VanDerWaalsContact C-N 3.28Å; P95-V97 PolarHBondContact O-N 3.01Å; V97-R101 HydrophobicContact CG1-CG 4.48Å; V97-R101 WeakPolarHBondContact O-CB 3.42Å; V97-R101 WeakPolarHBondContact O-CG 3.34Å; V97-R101 PolarHBondContact O-N 2.87Å
98C98.2Very high98Very high56 Ų5699.6 Ų99.638%0.37847%0.467SS..Hα-helixtrans-61.3-49.6173.9-65.90000111.2R92 I94 P95 R101 Q102R92-C98 PolarHBondContact O-SG 3.11Å; I94-C98 PolarHBondContact O-N 2.95Å; I94-C98 PolarHBondContact O-SG 3.37Å; P95-C98 WeakPolarHBondContact O-CB 3.5Å; P95-C98 PolarHBondContact O-N 3.26Å; P95-C98 VanDerWaalsContact O-N 3.11Å; C98-R101 PolarHBondContact O-N 3.2Å; C98-Q102 PolarHBondContact O-N 2.91Å
99E98.3Very high98Very high142 Ų142106.8 Ų106.866%0.66449%0.487SS*.Hα-helixtrans-58.2-48.8177.7-174.8-178.3176.900110.8P95 R101 Q102 W103P95-E99 PolarHBondContact O-N 2.99Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 2.98Å; E99-Q102 WeakPolarHBondContact O-CB 3.49Å; E99-Q102 PolarHBondContact O-N 2.87Å; E99-Q102 VanDerWaalsContact O-N 3.15Å; E99-W103 WeakPolarHBondContact O-CB 3.3Å; E99-W103 PolarHBondContact O-N 3.15Å
100L98.3Very high97.9Very high89 Ų89108.3 Ų108.347%0.46649%0.493SS..Hα-helixtrans-57.9-43.1176.4178.862.9000112.2E96 Q102 W103 Q104E96-L100 VanDerWaalsContact O-CB 3.3Å; E96-L100 WeakPolarHBondContact O-CB 3.01Å; E96-L100 PolarHBondContact O-N 3.33Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; L100-W103 HydrophobicContact CD1-CE3 4.24Å; L100-W103 PolarHBondContact O-N 2.93Å; L100-Q104 HydrophobicContact CD1-CG 4.45Å; L100-Q104 WeakPolarHBondContact O-CB 3.29Å; L100-Q104 VanDerWaalsContact O-CG 3.29Å; L100-Q104 WeakPolarHBondContact O-CG 3.46Å; L100-Q104 PolarHBondContact O-N 3.04Å
101R97.3Very high97.9Very high132 Ų132107.1 Ų107.150%0.49849%0.487SS..Hα-helixtrans-65.3-39.1178.1-75.5171.265.1105.12.2112V97 C98 E99 M105V97-R101 HydrophobicContact CG1-CG 4.48Å; V97-R101 WeakPolarHBondContact O-CB 3.42Å; V97-R101 WeakPolarHBondContact O-CG 3.34Å; V97-R101 PolarHBondContact O-N 2.87Å; C98-R101 PolarHBondContact O-N 3.2Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 2.98Å; R101-M105 PolarHBondContact O-N 3.42Å
102Q98Very high97.8Very high109 Ų109110.3 Ų110.351%0.50949%0.491SS..Hα-helixtrans-64.3-49175.7-179.8175-14.200110.3C98 E99 L100 Q104 M105 E106C98-Q102 PolarHBondContact O-N 2.91Å; E99-Q102 WeakPolarHBondContact O-CB 3.49Å; E99-Q102 PolarHBondContact O-N 2.87Å; E99-Q102 VanDerWaalsContact O-N 3.15Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.02Å; Q102-M105 WeakPolarHBondContact O-CA 3.25Å; Q102-M105 WeakPolarHBondContact O-CB 3.4Å; Q102-M105 PolarHBondContact O-N 3.36Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.48Å; Q102-E106 PolarHBondContact NE2-OE1 3.07Å; Q102-E106 WeakPolarHBondContact O-CG 3.33Å; Q102-E106 PolarHBondContact O-N 3.32Å
103W98.1Very high97.7Very high144 Ų144110.2 Ų110.255%0.54550%0.497SS..Hα-helixtrans-56.5-45.8175.717884.8000112E99 L100 M105 E106 W107E99-W103 WeakPolarHBondContact O-CB 3.3Å; E99-W103 PolarHBondContact O-N 3.15Å; L100-W103 HydrophobicContact CD1-CE3 4.24Å; L100-W103 PolarHBondContact O-N 2.93Å; W103-M105 VanDerWaalsContact C-N 3.28Å; W103-M105 PolarHBondContact O-N 2.95Å; W103-E106 PolarHBondContact O-N 3.03Å; W103-W107 HydrophobicContact CH2-CG 4.45Å; W103-W107 HydrophobicContact CZ2-CG 4.46Å; W103-W107 WeakPolarHBondContact O-CB 3.35Å; W103-W107 PolarHBondContact O-N 3.2Å
104Q97.9Very high97.6Very high77 Ų77108.5 Ų108.536%0.3649%0.49SS..Hα-helixtrans-62.3-33.1175.9-75178.6-10.500113.2L100 Q102 R108L100-Q104 HydrophobicContact CD1-CG 4.45Å; L100-Q104 WeakPolarHBondContact O-CB 3.29Å; L100-Q104 VanDerWaalsContact O-CG 3.29Å; L100-Q104 WeakPolarHBondContact O-CG 3.46Å; L100-Q104 PolarHBondContact O-N 3.04Å; Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.02Å; Q104-R108 WeakPolarHBondContact O-CB 3.46Å; Q104-R108 WeakPolarHBondContact O-CG 3.44Å; Q104-R108 PolarHBondContact O-N 3Å; Q104-R108 PolarHBondContact O-NE 3.09Å; Q104-R108 VanDerWaalsContact O-NE 3.07Å
105M98Very high97.4Very high113 Ų113107.1 Ų107.156%0.55749%0.49SS*.Hα-helixtrans-68.6-46.9174.8-178.7-176.869.300111R101 Q102 W103 R108 R109R101-M105 PolarHBondContact O-N 3.42Å; Q102-M105 WeakPolarHBondContact O-CA 3.25Å; Q102-M105 WeakPolarHBondContact O-CB 3.4Å; Q102-M105 PolarHBondContact O-N 3.36Å; W103-M105 VanDerWaalsContact C-N 3.28Å; W103-M105 PolarHBondContact O-N 2.95Å; M105-R108 PolarHBondContact O-N 3.23Å; M105-R109 PolarHBondContact O-N 3.43Å
106E98.2Very high97Very high100 Ų100107.9 Ų107.947%0.46749%0.489SS..Hα-helixtrans-62.7-45.4178-70.8172-170.900111.6Q102 W103 R108 R109 Y110Q102-E106 WeakPolarHBondContact CG-OE1 3.48Å; Q102-E106 PolarHBondContact NE2-OE1 3.07Å; Q102-E106 WeakPolarHBondContact O-CG 3.33Å; Q102-E106 PolarHBondContact O-N 3.32Å; W103-E106 PolarHBondContact O-N 3.03Å; E106-R108 PolarHBondContact O-N 2.84Å; E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 VanDerWaalsContact O-N 3.09Å; E106-Y110 PolarHBondContact O-N 3.44Å
107W98Very high96.5Very high137 Ų137109.5 Ų109.552%0.51950%0.496SS..Hα-helixtrans-60.5-44.2177.2-175.480.3000112.4W103 R109 Y110 N111W103-W107 HydrophobicContact CH2-CG 4.45Å; W103-W107 HydrophobicContact CZ2-CG 4.46Å; W103-W107 WeakPolarHBondContact O-CB 3.35Å; W103-W107 PolarHBondContact O-N 3.2Å; W107-R109 VanDerWaalsContact C-N 3.3Å; W107-R109 PolarHBondContact O-N 2.99Å; W107-Y110 PolarHBondContact O-N 3.34Å; W107-N111 WeakPolarHBondContact CH2-ND2 3.5Å; W107-N111 WeakPolarHBondContact CZ2-ND2 3.43Å; W107-N111 WeakPolarHBondContact CZ3-ND2 3.39Å; W107-N111 PolarHBondContact O-N 3.41Å
108R97.9Very high95.6Very high126 Ų126114.3 Ų114.348%0.47552%0.52SS..Hα-helixtrans-63-36.4173.8-78.6-178.2-71.2-144.1-2.4112.5Q104 M105 E106 R112Q104-R108 WeakPolarHBondContact O-CB 3.46Å; Q104-R108 WeakPolarHBondContact O-CG 3.44Å; Q104-R108 PolarHBondContact O-N 3Å; Q104-R108 PolarHBondContact O-NE 3.09Å; Q104-R108 VanDerWaalsContact O-NE 3.07Å; M105-R108 PolarHBondContact O-N 3.23Å; E106-R108 PolarHBondContact O-N 2.84Å; R108-R112 WeakPolarHBondContact O-CG 3.34Å; R108-R112 PolarHBondContact O-N 3.44Å; R108-R112 VanDerWaalsContact O-N 3.15Å
109R97.4Very high94.4Very high171 Ų171121.9 Ų121.965%0.64555%0.55SS*.Hα-helixtrans-67-46.2176.1-175.6-179.5-178.9179.90.1111M105 E106 W107 N111 R112 L113M105-R109 PolarHBondContact O-N 3.43Å; E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 VanDerWaalsContact O-N 3.09Å; W107-R109 VanDerWaalsContact C-N 3.3Å; W107-R109 PolarHBondContact O-N 2.99Å; R109-N111 PolarHBondContact O-N 3.32Å; R109-R112 PolarHBondContact O-N 3.47Å; R109-L113 HydrophobicContact CG-CD1 4.36Å; R109-L113 WeakPolarHBondContact O-CG 3.47Å; R109-L113 PolarHBondContact O-N 3.15Å; R109-L113 VanDerWaalsContact O-N 3.07Å
110Y97Very high94.2Very high144 Ų144120.9 Ų120.957%0.56554%0.544SS*.Hα-helixtrans-56.1-48.5175.7173.8-96000111.5E106 W107 R112 L113 K114E106-Y110 PolarHBondContact O-N 3.44Å; W107-Y110 PolarHBondContact O-N 3.34Å; Y110-R112 PolarHBondContact O-N 3.25Å; Y110-L113 PolarHBondContact O-N 3.43Å; Y110-K114 HydrophobicContact CE1-CD 4.35Å; Y110-K114 PolarHBondContact O-N 3.2Å
111N96.8Very high94Very high56 Ų56122.6 Ų122.630%0.29955%0.548SS..Hα-helixtrans-64-38.8179.9-72.3-19000113.2W107 R109 K114 A115W107-N111 WeakPolarHBondContact CH2-ND2 3.5Å; W107-N111 WeakPolarHBondContact CZ2-ND2 3.43Å; W107-N111 WeakPolarHBondContact CZ3-ND2 3.39Å; W107-N111 PolarHBondContact O-N 3.41Å; R109-N111 PolarHBondContact O-N 3.32Å; N111-K114 PolarHBondContact O-N 2.98Å; N111-A115 WeakPolarHBondContact O-CB 3.1Å; N111-A115 PolarHBondContact O-N 2.98Å
112R96.5Very high93.8Very high146 Ų146122.1 Ų122.155%0.55155%0.551SS**Hα-helixtrans-63.4-43174.5-77-169.8-63.1-97.10.4112.2R108 R109 Y110 K114 A115 N116R108-R112 WeakPolarHBondContact O-CG 3.34Å; R108-R112 PolarHBondContact O-N 3.44Å; R108-R112 VanDerWaalsContact O-N 3.15Å; R109-R112 PolarHBondContact O-N 3.47Å; Y110-R112 PolarHBondContact O-N 3.25Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-A115 PolarHBondContact O-N 3.07Å; R112-N116 VanDerWaalsContact O-CG 3.28Å; R112-N116 PolarHBondContact O-N 3.1Å; R112-N116 PolarHBondContact O-OD1 3.39Å
113L96Very high93.5Very high98 Ų98122.8 Ų122.851%0.51355%0.553SS.*Hα-helixtrans-63.9-42.1177.7-70.5171.6000111.6R109 Y110 N116 Q117R109-L113 HydrophobicContact CG-CD1 4.36Å; R109-L113 WeakPolarHBondContact O-CG 3.47Å; R109-L113 PolarHBondContact O-N 3.15Å; R109-L113 VanDerWaalsContact O-N 3.07Å; Y110-L113 PolarHBondContact O-N 3.43Å; L113-N116 PolarHBondContact O-N 3.04Å; L113-Q117 WeakPolarHBondContact O-CG 3.34Å; L113-Q117 PolarHBondContact O-N 3.35Å; L113-Q117 VanDerWaalsContact O-N 3.1Å
114K94Very high93.2Very high104 Ų104121.5 Ų121.545%0.45255%0.554SS.*Hα-helixtrans-63.8-40176.6-170.8179.4-180-179.90112.2Y110 N111 R112 Q117 L118Y110-K114 HydrophobicContact CE1-CD 4.35Å; Y110-K114 PolarHBondContact O-N 3.2Å; N111-K114 PolarHBondContact O-N 2.98Å; R112-K114 VanDerWaalsContact C-N 3.34Å; K114-Q117 PolarHBondContact O-N 3.02Å; K114-L118 HydrophobicContact CG-CD1 4.43Å; K114-L118 WeakPolarHBondContact O-CD1 3.46Å; K114-L118 WeakPolarHBondContact O-CG 3.42Å; K114-L118 PolarHBondContact O-N 3.21Å
115A93.6Very high92.9Very high46 Ų46124.5 Ų124.538%0.3857%0.567SS.*Hα-helixtrans-62.4-47175.400000111.4N111 R112 Q117 L118 E119N111-A115 WeakPolarHBondContact O-CB 3.1Å; N111-A115 PolarHBondContact O-N 2.98Å; R112-A115 PolarHBondContact O-N 3.07Å; A115-Q117 PolarHBondContact O-N 3.35Å; A115-L118 PolarHBondContact O-N 3.4Å; A115-E119 PolarHBondContact O-N 3.31Å
116N91.9Very high92.6Very high108 Ų108125.3 Ų125.358%0.57857%0.568SS**Hα-helixtrans-67.1-16.8177.9-65.48.3000114.1R112 L113R112-N116 VanDerWaalsContact O-CG 3.28Å; R112-N116 PolarHBondContact O-N 3.1Å; R112-N116 PolarHBondContact O-OD1 3.39Å; L113-N116 PolarHBondContact O-N 3.04Å
117Q87.8Confident92.1Very high160 Ų160127.2 Ų127.275%0.74858%0.575SS**THydrogen-bonded Turntrans-84.5-16.4173.2-76.6176.6-1900112.9L113 K114 A115L113-Q117 WeakPolarHBondContact O-CG 3.34Å; L113-Q117 PolarHBondContact O-N 3.35Å; L113-Q117 VanDerWaalsContact O-N 3.1Å; K114-Q117 PolarHBondContact O-N 3.02Å; A115-Q117 PolarHBondContact O-N 3.35Å
118L78.8Confident91.6Very high143 Ų143126.4 Ų126.475%0.74958%0.58SS**THydrogen-bonded Turntrans-94.6-17.1180-71.4162.3000112.4K114 A115K114-L118 HydrophobicContact CG-CD1 4.43Å; K114-L118 WeakPolarHBondContact O-CD1 3.46Å; K114-L118 WeakPolarHBondContact O-CG 3.42Å; K114-L118 PolarHBondContact O-N 3.21Å; A115-L118 PolarHBondContact O-N 3.4Å
119E72Confident91.1Very high215 Ų215126.5 Ų126.5100%1.00559%0.589SS**  trans-85.90170-67.8-179.3172.900111.3A115A115-E119 PolarHBondContact O-N 3.31Å

Retrieved 119 of 119 residues in 54.5 ms (Link to these results)

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