A0A077ZES8_TRITR Loading...

DNAJC9 HTH domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZES8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93.4Very high88.2Confident24 Ų2468.8 Ų68.812%0.11838%0.38CS..  0-43.10-83-57.5-8500114.1C3 I4 M5 E16 R20 I23 Y38 E41 R49M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 3.03Å; M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.14Å; M1-I4 HydrophobicContact SD-CD1 4.19Å; M1-M5 HydrophobicContact CE-SD 4.26Å; M1-M5 PolarHBondContact O-N 3.05Å; M1-M5 VanDerWaalsContact O-N 3.13Å; M1-E16 HydrophobicContact CE-CG 3.51Å; M1-R20 HydrophobicContact CE-CG 3.55Å; M1-R20 HydrophobicContact SD-CG 4.13Å; M1-I23 HydrophobicContact SD-CD1 4.01Å; M1-Y38 HydrophobicContact CG-CD2 3.85Å; M1-Y38 HydrophobicContact CG-CE2 3.84Å; M1-Y38 HydrophobicContact SD-CD2 3.86Å; M1-Y38 HydrophobicContact SD-CE2 3.44Å; M1-Y38 WeakPolarHBondContact SD-CE2 3.35Å; M1-E41 WeakPolarHBondContact CB-OE2 3.02Å; M1-E41 VanDerWaalsContact CG-OE2 3.3Å; M1-E41 WeakPolarHBondContact CG-OE2 3.3Å; M1-R49 VanDerWaalsContact CB-CZ 3.5Å
2D92Very high88.4Confident48 Ų4871.4 Ų71.426%0.25739%0.387SS..Hα-helixtrans-47.7-51.4-176.9-61.540000112.9I4 M5 E6 R49 R52D2-I4 VanDerWaalsContact C-N 3.3Å; D2-I4 PolarHBondContact O-N 3.22Å; D2-M5 PolarHBondContact O-N 3.1Å; D2-E6 WeakPolarHBondContact O-CG 3.46Å; D2-E6 PolarHBondContact O-N 3.05Å; D2-R49 VanDerWaalsContact CG-CD 3.41Å; D2-R49 WeakPolarHBondContact OD1-CD 3.42Å; D2-R49 IonicContact OD1-NE 3.19Å; D2-R49 PolarHBondContact OD1-NE 3.2Å; D2-R52 IonicContact OD2-NH1 3.06Å
3C91.2Very high88.6Confident100 Ų10067.8 Ų67.868%0.67637%0.367SS*.Hα-helixtrans-62.1-36.4-179.1-51.40000113M1 E6 S7M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 3.03Å; C3-E6 PolarHBondContact O-N 3.43Å; C3-S7 VanDerWaalsContact O-CB 3.27Å; C3-S7 WeakPolarHBondContact O-CB 3.38Å; C3-S7 PolarHBondContact O-N 3.23Å; C3-S7 PolarHBondContact O-OG 3.38Å; C3-S7 VanDerWaalsContact O-OG 3.11Å
4I92.4Very high88.9Confident57 Ų5773.6 Ų73.629%0.29239%0.39SS..Hα-helixtrans-64.8-50.5178.5-60.7176.8000109M1 D2 E6 S7 L8 I23M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.14Å; M1-I4 HydrophobicContact SD-CD1 4.19Å; D2-I4 VanDerWaalsContact C-N 3.3Å; D2-I4 PolarHBondContact O-N 3.22Å; I4-E6 VanDerWaalsContact C-N 3.34Å; I4-E6 PolarHBondContact O-N 2.78Å; I4-S7 PolarHBondContact O-N 2.96Å; I4-S7 PolarHBondContact O-OG 3.4Å; I4-L8 HydrophobicContact CG2-CD1 3.68Å; I4-L8 HydrophobicContact CG2-CG 4.2Å; I4-L8 WeakPolarHBondContact O-CB 3.4Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.41Å; I4-L8 PolarHBondContact O-N 2.9Å; I4-I23 HydrophobicContact CD1-CD1 3.49Å; I4-I23 VanDerWaalsContact CD1-CD1 3.49Å; I4-I23 HydrophobicContact CD1-CG1 4.49Å; I4-I23 HydrophobicContact CG2-CD1 4.39Å
5M91.6Very high89.2Confident23 Ų2371.6 Ų71.611%0.11338%0.38CS..Hα-helixtrans-61.8-39.7178.6-60.1-57.8-63.700112.1M1 D2 S7 S11 E12 E16 Y19M1-M5 HydrophobicContact CE-SD 4.26Å; M1-M5 PolarHBondContact O-N 3.05Å; M1-M5 VanDerWaalsContact O-N 3.13Å; D2-M5 PolarHBondContact O-N 3.1Å; M5-S7 VanDerWaalsContact C-N 3.34Å; M5-S7 PolarHBondContact O-N 3.2Å; M5-S11 PolarHBondContact O-OG 2.87Å; M5-E12 WeakPolarHBondContact CE-O 3.5Å; M5-E16 HydrophobicContact CE-CB 4.15Å; M5-E16 HydrophobicContact SD-CB 4.24Å; M5-E16 HydrophobicContact SD-CG 4.23Å; M5-Y19 HydrophobicContact CE-CD2 4.06Å; M5-Y19 HydrophobicContact CE-CE2 4.12Å; M5-Y19 HydrophobicContact SD-CD2 3.65Å; M5-Y19 HydrophobicContact SD-CE2 4.19Å
6E87.2Confident89.5Confident132 Ų13267.4 Ų67.462%0.61736%0.357SS*.Hα-helixtrans-69.3-32.6178.5-71.5174.7-173.400112.9D2 C3 I4D2-E6 WeakPolarHBondContact O-CG 3.46Å; D2-E6 PolarHBondContact O-N 3.05Å; C3-E6 PolarHBondContact O-N 3.43Å; I4-E6 VanDerWaalsContact C-N 3.34Å; I4-E6 PolarHBondContact O-N 2.78Å
7S89.2Confident89.8Confident82 Ų8266.7 Ų66.757%0.57336%0.358SS*.Hα-helixtrans-78.5-34.3179.570.40000113.5C3 I4 M5 I9C3-S7 VanDerWaalsContact O-CB 3.27Å; C3-S7 WeakPolarHBondContact O-CB 3.38Å; C3-S7 PolarHBondContact O-N 3.23Å; C3-S7 PolarHBondContact O-OG 3.38Å; C3-S7 VanDerWaalsContact O-OG 3.11Å; I4-S7 PolarHBondContact O-N 2.96Å; I4-S7 PolarHBondContact O-OG 3.4Å; M5-S7 VanDerWaalsContact C-N 3.34Å; M5-S7 PolarHBondContact O-N 3.2Å; S7-I9 PolarHBondContact O-N 2.95Å
8L88.4Confident90.1Very high58 Ų5871.6 Ų71.630%0.30437%0.37SS..SBendtrans-71.8115.2-177.1-72.4174.3000110.7I4 M10 S11 Y19I4-L8 HydrophobicContact CG2-CD1 3.68Å; I4-L8 HydrophobicContact CG2-CG 4.2Å; I4-L8 WeakPolarHBondContact O-CB 3.4Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.41Å; I4-L8 PolarHBondContact O-N 2.9Å; L8-M10 PolarHBondContact O-N 3.05Å; L8-S11 PolarHBondContact O-N 2.88Å; L8-S11 PolarHBondContact O-OG 2.97Å; L8-S11 VanDerWaalsContact O-OG 3.07Å; L8-Y19 HydrophobicContact CD1-CD1 3.7Å; L8-Y19 HydrophobicContact CD1-CD2 3.98Å; L8-Y19 HydrophobicContact CD1-CE1 3.61Å; L8-Y19 HydrophobicContact CD1-CE2 3.87Å; L8-Y19 HydrophobicContact CD1-CG 3.9Å
9I82.1Confident90.4Very high118 Ų11869.9 Ų69.961%0.60536%0.359SS*.THydrogen-bonded Turntrans-61.6136.6170.4-56.1170.7000107.6S7 S11S7-I9 PolarHBondContact O-N 2.95Å; I9-S11 PolarHBondContact O-N 3.5Å
10M75.5Confident90.6Very high88 Ų8869.6 Ų69.643%0.43335%0.353SS..THydrogen-bonded Turntrans64.911.7-177.6-59.9177.955.600117.2L8 E12 N88 F92L8-M10 PolarHBondContact O-N 3.05Å; M10-E12 PolarHBondContact O-N 3.38Å; M10-N88 HydrophobicContact CG-CB 4.49Å; M10-N88 VanDerWaalsContact CG-CG 3.43Å; M10-N88 WeakPolarHBondContact CG-ND2 3.4Å; M10-N88 WeakPolarHBondContact CG-OD1 3.42Å; M10-F92 HydrophobicContact CE-CE2 3.24Å; M10-F92 HydrophobicContact CE-CZ 3.44Å; M10-F92 VanDerWaalsContact CE-CZ 3.44Å; M10-F92 HydrophobicContact SD-CE2 3.71Å; M10-F92 HydrophobicContact SD-CZ 3.83Å
11S87.4Confident91Very high27 Ų2774.2 Ų74.219%0.18937%0.366CS..  trans-70.8125.817764.50000111.3M5 L8 I9M5-S11 PolarHBondContact O-OG 2.87Å; L8-S11 PolarHBondContact O-N 2.88Å; L8-S11 PolarHBondContact O-OG 2.97Å; L8-S11 VanDerWaalsContact O-OG 3.07Å; I9-S11 PolarHBondContact O-N 3.5Å
12E90.1Very high91.1Very high100 Ų10076.6 Ų76.647%0.46738%0.379SS..  trans-97.8157.7167.7-64.2-169175.300110.4M5 M10 E14 D15M5-E12 WeakPolarHBondContact CE-O 3.5Å; M10-E12 PolarHBondContact O-N 3.38Å; E12-E14 PolarHBondContact O-N 2.97Å; E12-E14 VanDerWaalsContact O-N 3.17Å; E12-D15 PolarHBondContact N-OD2 3.11Å; E12-D15 WeakPolarHBondContact O-CB 3.1Å; E12-D15 PolarHBondContact O-N 3.37Å
13I91.2Very high91.4Very high25 Ų2575.5 Ų75.513%0.12837%0.372CS..G310 helixtrans-62-25.4176.6-164.363.7000111.9D15 E16 R50 W53I13-D15 VanDerWaalsContact C-N 3.27Å; I13-D15 PolarHBondContact O-N 2.96Å; I13-E16 WeakPolarHBondContact O-CB 3.13Å; I13-E16 PolarHBondContact O-N 3.49Å; I13-R50 HydrophobicContact CD1-CG 4Å; I13-R50 HydrophobicContact CG1-CB 4.36Å; I13-R50 HydrophobicContact CG1-CG 3.7Å; I13-W53 HydrophobicContact CB-CB 4.19Å; I13-W53 HydrophobicContact CB-CD2 3.71Å; I13-W53 HydrophobicContact CB-CE3 4.16Å; I13-W53 HydrophobicContact CB-CG 3.71Å; I13-W53 HydrophobicContact CG1-CB 4.33Å; I13-W53 HydrophobicContact CG1-CG 4.38Å; I13-W53 HydrophobicContact CG2-CD2 3.39Å; I13-W53 HydrophobicContact CG2-CE3 3.35Å; I13-W53 HydrophobicContact CG2-CG 3.96Å; I13-W53 HydrophobicContact CG2-CH2 3.92Å; I13-W53 HydrophobicContact CG2-CZ2 3.98Å; I13-W53 HydrophobicContact CG2-CZ3 3.62Å
14E92.4Very high91.6Very high148 Ų14873.7 Ų73.769%0.69236%0.356SS*.G310 helixtrans-69.8-25.3176.8-58.1-169.6175.800112.3E12 P17E12-E14 PolarHBondContact O-N 2.97Å; E12-E14 VanDerWaalsContact O-N 3.17Å; E14-P17 WeakPolarHBondContact O-CD 3.33Å
15D93.6Very high91.9Very high44 Ų4479.2 Ų79.224%0.23537%0.373CS..G310 helixtrans-82.7-11.2177.3-68.1-50.7000113E12 I13 P17 R18 Y19E12-D15 PolarHBondContact N-OD2 3.11Å; E12-D15 WeakPolarHBondContact O-CB 3.1Å; E12-D15 PolarHBondContact O-N 3.37Å; I13-D15 VanDerWaalsContact C-N 3.27Å; I13-D15 PolarHBondContact O-N 2.96Å; D15-P17 VanDerWaalsContact C-CD 3.42Å; D15-P17 VanDerWaalsContact C-N 3.35Å; D15-R18 WeakPolarHBondContact O-CA 3.38Å; D15-R18 VanDerWaalsContact O-CB 3.27Å; D15-R18 WeakPolarHBondContact O-CB 3.41Å; D15-R18 PolarHBondContact O-N 3.43Å; D15-Y19 HydrophobicContact CB-CD2 3.89Å; D15-Y19 HydrophobicContact CB-CE2 3.33Å; D15-Y19 WeakPolarHBondContact O-CD2 3.43Å; D15-Y19 PolarHBondContact O-N 3.1Å
16E94.2Very high92.2Very high4 Ų480.8 Ų80.82%0.01938%0.382CS..Hα-helixtrans-50.2-46.3179.6-170.4-160.7159.400113.4M1 M5 I13 R18 Y19 R20 R49M1-E16 HydrophobicContact CE-CG 3.51Å; M5-E16 HydrophobicContact CE-CB 4.15Å; M5-E16 HydrophobicContact SD-CB 4.24Å; M5-E16 HydrophobicContact SD-CG 4.23Å; I13-E16 WeakPolarHBondContact O-CB 3.13Å; I13-E16 PolarHBondContact O-N 3.49Å; E16-R18 VanDerWaalsContact C-N 3.25Å; E16-R18 PolarHBondContact O-N 3.18Å; E16-Y19 PolarHBondContact O-N 3.27Å; E16-R20 PolarHBondContact O-N 3.5Å; E16-R20 IonicContact OE1-NE 3.62Å; E16-R20 PolarHBondContact OE1-NE 2.95Å; E16-R20 IonicContact OE1-NH2 2.66Å; E16-R49 IonicContact OE1-CZ 3.7Å; E16-R49 IonicContact OE1-NH1 2.71Å; E16-R49 PolarHBondContact OE1-NH1 3.25Å; E16-R49 IonicContact OE1-NH2 3.83Å; E16-R49 PolarHBondContact OE1-NH2 3.19Å; E16-R49 IonicContact OE2-CZ 2.63Å; E16-R49 IonicContact OE2-NH1 3.9Å; E16-R49 PolarHBondContact OE2-NH1 3.44Å; E16-R49 IonicContact OE2-NH2 3.36Å
17P94.5Very high92.7Very high56 Ų5676.4 Ų76.436%0.36436%0.362SS..Hα-helixtrans-64.5-30.1177.2-18.533.4000112.9E14 D15 R21E14-P17 WeakPolarHBondContact O-CD 3.33Å; D15-P17 VanDerWaalsContact C-CD 3.42Å; D15-P17 VanDerWaalsContact C-N 3.35Å; P17-R21 VanDerWaalsContact O-CG 3.31Å; P17-R21 WeakPolarHBondContact O-CG 3.45Å; P17-R21 PolarHBondContact O-N 3.42Å
18R95.7Very high93.1Very high154 Ų15480.2 Ų80.258%0.58137%0.371SS*.Hα-helixtrans-69.3-46.7175.5179.4-175.3175.7-170.1-0.9110.1D15 E16 R21 I22D15-R18 WeakPolarHBondContact O-CA 3.38Å; D15-R18 VanDerWaalsContact O-CB 3.27Å; D15-R18 WeakPolarHBondContact O-CB 3.41Å; D15-R18 PolarHBondContact O-N 3.43Å; E16-R18 VanDerWaalsContact C-N 3.25Å; E16-R18 PolarHBondContact O-N 3.18Å; R18-R21 PolarHBondContact O-N 3.08Å; R18-I22 HydrophobicContact CG-CD1 4.25Å; R18-I22 WeakPolarHBondContact O-CG1 3.35Å; R18-I22 PolarHBondContact O-N 3.42Å; R18-I22 VanDerWaalsContact O-N 3.13Å
19Y95.4Very high93.6Very high41 Ų4180.5 Ų80.516%0.16138%0.382CS..Hα-helixtrans-63.6-41.5177.7-62.8-54.4000112.2M5 L8 D15 E16 R21 I22 I23M5-Y19 HydrophobicContact CE-CD2 4.06Å; M5-Y19 HydrophobicContact CE-CE2 4.12Å; M5-Y19 HydrophobicContact SD-CD2 3.65Å; M5-Y19 HydrophobicContact SD-CE2 4.19Å; L8-Y19 HydrophobicContact CD1-CD1 3.7Å; L8-Y19 HydrophobicContact CD1-CD2 3.98Å; L8-Y19 HydrophobicContact CD1-CE1 3.61Å; L8-Y19 HydrophobicContact CD1-CE2 3.87Å; L8-Y19 HydrophobicContact CD1-CG 3.9Å; D15-Y19 HydrophobicContact CB-CD2 3.89Å; D15-Y19 HydrophobicContact CB-CE2 3.33Å; D15-Y19 WeakPolarHBondContact O-CD2 3.43Å; D15-Y19 PolarHBondContact O-N 3.1Å; E16-Y19 PolarHBondContact O-N 3.27Å; Y19-R21 PolarHBondContact O-N 3.42Å; Y19-I22 PolarHBondContact O-N 3.21Å; Y19-I22 VanDerWaalsContact O-N 3.13Å; Y19-I23 WeakPolarHBondContact O-CD1 3.39Å; Y19-I23 VanDerWaalsContact O-CG1 3.29Å; Y19-I23 WeakPolarHBondContact O-CG1 3.36Å; Y19-I23 PolarHBondContact O-N 3.21Å
20R95.4Very high94.3Very high62 Ų6278 Ų7823%0.23439%0.385CS..Hα-helixtrans-54.5-50.5172.9-77.1-172.6173.9-99.53.3111.9M1 E16 I22 I23 D24 Y38 E41M1-R20 HydrophobicContact CE-CG 3.55Å; M1-R20 HydrophobicContact SD-CG 4.13Å; E16-R20 PolarHBondContact O-N 3.5Å; E16-R20 IonicContact OE1-NE 3.62Å; E16-R20 PolarHBondContact OE1-NE 2.95Å; E16-R20 IonicContact OE1-NH2 2.66Å; R20-I22 PolarHBondContact O-N 2.94Å; R20-I23 PolarHBondContact O-N 3.27Å; R20-I23 VanDerWaalsContact O-N 3.11Å; R20-D24 WeakPolarHBondContact O-CB 3.47Å; R20-D24 PolarHBondContact O-N 3.36Å; R20-Y38 WeakPolarHBondContact CA-OH 3.27Å; R20-Y38 HydrophobicContact CG-CE2 4.46Å; R20-Y38 PolarHBondContact O-OH 2.93Å; R20-E41 IonicContact CZ-OE2 2.73Å; R20-E41 VanDerWaalsContact NH2-CD 3.31Å; R20-E41 IonicContact NH2-OE1 2.73Å; R20-E41 IonicContact NH2-OE2 3.36Å; R20-E41 PolarHBondContact NH2-OE2 3.27Å
21R97.2Very high95.4Very high167 Ų16781 Ų8163%0.6340%0.398SS*.Hα-helixtrans-58.9-34.6177.8-71.1172.6-171.3171.13.6113.5P17 R18 Y19 R25P17-R21 VanDerWaalsContact O-CG 3.31Å; P17-R21 WeakPolarHBondContact O-CG 3.45Å; P17-R21 PolarHBondContact O-N 3.42Å; R18-R21 PolarHBondContact O-N 3.08Å; Y19-R21 PolarHBondContact O-N 3.42Å; R21-R25 VanDerWaalsContact O-CG 3.26Å; R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 3.46Å
22I97.1Very high95.8Very high74 Ų7482.9 Ų82.938%0.37941%0.408SS..Hα-helixtrans-69.7-47.8176.9-66.1166.2000109.4R18 Y19 R20 D24 R25 L26R18-I22 HydrophobicContact CG-CD1 4.25Å; R18-I22 WeakPolarHBondContact O-CG1 3.35Å; R18-I22 PolarHBondContact O-N 3.42Å; R18-I22 VanDerWaalsContact O-N 3.13Å; Y19-I22 PolarHBondContact O-N 3.21Å; Y19-I22 VanDerWaalsContact O-N 3.13Å; R20-I22 PolarHBondContact O-N 2.94Å; I22-D24 VanDerWaalsContact C-N 3.35Å; I22-D24 PolarHBondContact O-N 3.12Å; I22-R25 PolarHBondContact O-N 3.19Å; I22-L26 HydrophobicContact CG2-CD1 4.14Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 3.47Å
23I96.6Very high96.1Very high25 Ų2586.8 Ų86.813%0.12843%0.426CS..Hα-helixtrans-61.4-44.5178.9-64.4159000110.7M1 I4 Y19 R20 R25 L26 I27 Y38M1-I23 HydrophobicContact SD-CD1 4.01Å; I4-I23 HydrophobicContact CD1-CD1 3.49Å; I4-I23 VanDerWaalsContact CD1-CD1 3.49Å; I4-I23 HydrophobicContact CD1-CG1 4.49Å; I4-I23 HydrophobicContact CG2-CD1 4.39Å; Y19-I23 WeakPolarHBondContact O-CD1 3.39Å; Y19-I23 VanDerWaalsContact O-CG1 3.29Å; Y19-I23 WeakPolarHBondContact O-CG1 3.36Å; Y19-I23 PolarHBondContact O-N 3.21Å; R20-I23 PolarHBondContact O-N 3.27Å; R20-I23 VanDerWaalsContact O-N 3.11Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 2.86Å; I23-L26 WeakPolarHBondContact O-CB 3.31Å; I23-L26 PolarHBondContact O-N 3.29Å; I23-L26 VanDerWaalsContact O-N 3.09Å; I23-I27 HydrophobicContact CG2-CD1 3.75Å; I23-I27 HydrophobicContact CG2-CG1 4.35Å; I23-I27 VanDerWaalsContact O-CG1 3.31Å; I23-I27 WeakPolarHBondContact O-CG1 3.29Å; I23-I27 PolarHBondContact O-N 2.94Å; I23-Y38 HydrophobicContact CB-CE2 4.44Å; I23-Y38 HydrophobicContact CD1-CE2 4.03Å; I23-Y38 HydrophobicContact CG2-CD1 4.46Å; I23-Y38 HydrophobicContact CG2-CE1 3.81Å; I23-Y38 HydrophobicContact CG2-CE2 3.98Å
24D97.3Very high96.4Very high62 Ų6290.6 Ų90.633%0.33245%0.447SS..Hα-helixtrans-60-41.2178.7-61.1-20.5000110.9R20 I22 I27 E28 Y38R20-D24 WeakPolarHBondContact O-CB 3.47Å; R20-D24 PolarHBondContact O-N 3.36Å; I22-D24 VanDerWaalsContact C-N 3.35Å; I22-D24 PolarHBondContact O-N 3.12Å; D24-I27 PolarHBondContact O-N 2.95Å; D24-E28 WeakPolarHBondContact O-CB 3.31Å; D24-E28 VanDerWaalsContact O-CG 3.29Å; D24-E28 WeakPolarHBondContact O-CG 3.34Å; D24-E28 PolarHBondContact O-N 3.37Å; D24-Y38 WeakPolarHBondContact OD1-CE1 3.27Å; D24-Y38 PolarHBondContact OD1-OH 3.45Å
25R98.2Very high96.5Very high173 Ų17390.7 Ų90.765%0.65344%0.442SS*.Hα-helixtrans-65.3-37.6174.2-73.5173.4-174.6-173.9-0.2113.3R21 I22 I23 I27 E28 A29R21-R25 VanDerWaalsContact O-CG 3.26Å; R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 3.46Å; I22-R25 PolarHBondContact O-N 3.19Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 2.86Å; R25-I27 VanDerWaalsContact C-N 3.33Å; R25-E28 PolarHBondContact O-N 3.44Å; R25-A29 WeakPolarHBondContact O-CB 3.49Å; R25-A29 PolarHBondContact O-N 2.96Å
26L97.7Very high96.6Very high57 Ų5794 Ų9430%0.29846%0.459SS..Hα-helixtrans-68.4-36177.1-67.6171.4000111.4I22 I23 A29 G30 E31 V32I22-L26 HydrophobicContact CG2-CD1 4.14Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 3.47Å; I23-L26 WeakPolarHBondContact O-CB 3.31Å; I23-L26 PolarHBondContact O-N 3.29Å; I23-L26 VanDerWaalsContact O-N 3.09Å; L26-A29 PolarHBondContact O-N 2.77Å; L26-G30 PolarHBondContact O-N 3Å; L26-E31 HydrophobicContact CD2-CB 4.37Å; L26-E31 WeakPolarHBondContact CD2-OE2 3.47Å; L26-E31 PolarHBondContact O-N 3.37Å; L26-V32 HydrophobicContact CB-CB 4.29Å; L26-V32 HydrophobicContact CB-CG2 3.85Å; L26-V32 HydrophobicContact CD1-CG2 4.31Å; L26-V32 PolarHBondContact O-N 3.5Å
27I97.6Very high96.6Very high39 Ų3998.4 Ų98.420%0.248%0.483CS..Hα-helixtrans-66.6-46.3172.8-67.5166000110.1I23 D24 R25 A29 G30 V32 L34 Y38I23-I27 HydrophobicContact CG2-CD1 3.75Å; I23-I27 HydrophobicContact CG2-CG1 4.35Å; I23-I27 VanDerWaalsContact O-CG1 3.31Å; I23-I27 WeakPolarHBondContact O-CG1 3.29Å; I23-I27 PolarHBondContact O-N 2.94Å; D24-I27 PolarHBondContact O-N 2.95Å; R25-I27 VanDerWaalsContact C-N 3.33Å; I27-A29 VanDerWaalsContact C-N 3.27Å; I27-A29 PolarHBondContact O-N 3.2Å; I27-G30 PolarHBondContact O-N 3.25Å; I27-V32 HydrophobicContact CG1-CB 4.42Å; I27-L34 HydrophobicContact CD1-CD1 3.99Å; I27-L34 HydrophobicContact CG2-CB 4.37Å; I27-L34 HydrophobicContact CG2-CD1 4.03Å; I27-Y38 HydrophobicContact CD1-CD1 4.08Å; I27-Y38 HydrophobicContact CD1-CE1 3.82Å
28E97.8Very high96.7Very high162 Ų16296.4 Ų96.476%0.75747%0.468SS*.Hα-helixtrans-60.6-35.6176.2-75171-174.800112.4D24 R25 G30D24-E28 WeakPolarHBondContact O-CB 3.31Å; D24-E28 VanDerWaalsContact O-CG 3.29Å; D24-E28 WeakPolarHBondContact O-CG 3.34Å; D24-E28 PolarHBondContact O-N 3.37Å; R25-E28 PolarHBondContact O-N 3.44Å; E28-G30 PolarHBondContact O-N 3.43Å
29A98.2Very high96.6Very high65 Ų6591.5 Ų91.554%0.53746%0.46SS..THydrogen-bonded Turntrans-74.9-10.4175.100000113.6R25 L26 I27 E31R25-A29 WeakPolarHBondContact O-CB 3.49Å; R25-A29 PolarHBondContact O-N 2.96Å; L26-A29 PolarHBondContact O-N 2.77Å; I27-A29 VanDerWaalsContact C-N 3.27Å; I27-A29 PolarHBondContact O-N 3.2Å; A29-E31 HydrophobicContact CB-CG 4.1Å; A29-E31 PolarHBondContact O-N 3.49Å
30G97.9Very high96.6Very high65 Ų6595.4 Ų95.467%0.6748%0.484SS*.THydrogen-bonded Turntrans72.414.1-174.900000114.2L26 I27 E28L26-G30 PolarHBondContact O-N 3Å; I27-G30 PolarHBondContact O-N 3.25Å; E28-G30 PolarHBondContact O-N 3.43Å
31E97.6Very high96.6Very high151 Ų15193.7 Ų93.771%0.70648%0.479SS*.SBendtrans-77.9-25.4177.3-67.5-175.9-165.800112.2L26 A29L26-E31 HydrophobicContact CD2-CB 4.37Å; L26-E31 WeakPolarHBondContact CD2-OE2 3.47Å; L26-E31 PolarHBondContact O-N 3.37Å; A29-E31 HydrophobicContact CB-CG 4.1Å; A29-E31 PolarHBondContact O-N 3.49Å
32V96Very high96.5Very high67 Ų6788.6 Ų88.641%0.40647%0.467SS..SBendtrans-130130.9-179178.40000109.6L26 I27L26-V32 HydrophobicContact CB-CB 4.29Å; L26-V32 HydrophobicContact CB-CG2 3.85Å; L26-V32 HydrophobicContact CD1-CG2 4.31Å; L26-V32 PolarHBondContact O-N 3.5Å; I27-V32 HydrophobicContact CG1-CB 4.42Å
33E96.8Very high96.4Very high181 Ų18188.4 Ų88.485%0.84648%0.477SS*.PPolyproline II helixtrans-65139.3175.3-65.8-179176.900111.4Y35E33-Y35 PolarHBondContact O-N 3.35Å
34L96.3Very high96.4Very high105 Ų10594.4 Ų94.455%0.5550%0.504SS..PPolyproline II helixtrans-67.3120.6176.4-176.968.5000109.9I27 A39I27-L34 HydrophobicContact CD1-CD1 3.99Å; I27-L34 HydrophobicContact CG2-CB 4.37Å; I27-L34 HydrophobicContact CG2-CD1 4.03Å; L34-A39 HydrophobicContact CD1-CB 3.84Å; L34-A39 HydrophobicContact CD2-CB 4.46Å; L34-A39 HydrophobicContact CG-CB 4.25Å
35Y95.6Very high96.2Very high151 Ų15196.3 Ų96.359%0.59251%0.51SS*.PPolyproline II helixtrans-97.3123.5175.4-169.4-121.1000111.2E33 D37 Y38 A39E33-Y35 PolarHBondContact O-N 3.35Å; Y35-D37 VanDerWaalsContact C-N 3.32Å; Y35-D37 HydrophobicContact CD1-CB 3.87Å; Y35-D37 HydrophobicContact CE1-CB 3.53Å; Y35-D37 PolarHBondContact O-N 3.5Å; Y35-Y38 WeakPolarHBondContact O-CB 3.35Å; Y35-Y38 PolarHBondContact O-N 2.99Å; Y35-A39 PolarHBondContact O-N 3.45Å
36D95.8Very high96Very high113 Ų11389 Ų8960%0.60449%0.486SS*.Hα-helixtrans-56.4-41.3-173.1-72.4-27.2000113.5Y38 A39 N40D36-Y38 VanDerWaalsContact C-N 3.26Å; D36-Y38 PolarHBondContact O-N 3.15Å; D36-A39 PolarHBondContact O-N 2.92Å; D36-N40 WeakPolarHBondContact O-CB 3.29Å; D36-N40 PolarHBondContact O-N 3.47Å; D36-N40 PolarHBondContact O-ND2 3.38Å
37D94.5Very high95.9Very high96 Ų9692.7 Ų92.751%0.51350%0.499SS..Hα-helixtrans-69.9-24.1179.5-76.4-17.8000113Y35Y35-D37 VanDerWaalsContact C-N 3.32Å; Y35-D37 HydrophobicContact CD1-CB 3.87Å; Y35-D37 HydrophobicContact CE1-CB 3.53Å; Y35-D37 PolarHBondContact O-N 3.5Å
38Y95.2Very high95.7Very high15 Ų1593.5 Ų93.56%0.05951%0.509CS..Hα-helixtrans-78.5-47.3173.9171.1-93.3000110.5M1 R20 I23 D24 I27 Y35 D36M1-Y38 HydrophobicContact CG-CD2 3.85Å; M1-Y38 HydrophobicContact CG-CE2 3.84Å; M1-Y38 HydrophobicContact SD-CD2 3.86Å; M1-Y38 HydrophobicContact SD-CE2 3.44Å; M1-Y38 WeakPolarHBondContact SD-CE2 3.35Å; R20-Y38 WeakPolarHBondContact CA-OH 3.27Å; R20-Y38 HydrophobicContact CG-CE2 4.46Å; R20-Y38 PolarHBondContact O-OH 2.93Å; I23-Y38 HydrophobicContact CB-CE2 4.44Å; I23-Y38 HydrophobicContact CD1-CE2 4.03Å; I23-Y38 HydrophobicContact CG2-CD1 4.46Å; I23-Y38 HydrophobicContact CG2-CE1 3.81Å; I23-Y38 HydrophobicContact CG2-CE2 3.98Å; D24-Y38 WeakPolarHBondContact OD1-CE1 3.27Å; D24-Y38 PolarHBondContact OD1-OH 3.45Å; I27-Y38 HydrophobicContact CD1-CD1 4.08Å; I27-Y38 HydrophobicContact CD1-CE1 3.82Å; Y35-Y38 WeakPolarHBondContact O-CB 3.35Å; Y35-Y38 PolarHBondContact O-N 2.99Å; D36-Y38 VanDerWaalsContact C-N 3.26Å; D36-Y38 PolarHBondContact O-N 3.15Å
39A94.5Very high95.5Very high50 Ų5086.3 Ų86.341%0.41348%0.475SS..Hα-helixtrans-64.1-43.7-178.700000112L34 Y35 D36L34-A39 HydrophobicContact CD1-CB 3.84Å; L34-A39 HydrophobicContact CD2-CB 4.46Å; L34-A39 HydrophobicContact CG-CB 4.25Å; Y35-A39 PolarHBondContact O-N 3.45Å; D36-A39 PolarHBondContact O-N 2.92Å
40N95.6Very high95.3Very high123 Ų12389.6 Ų89.666%0.65847%0.473SS*.THydrogen-bonded Turntrans-100.630.4-175.9-60.1-56.1000112.6D36 P42D36-N40 WeakPolarHBondContact O-CB 3.29Å; D36-N40 PolarHBondContact O-N 3.47Å; D36-N40 PolarHBondContact O-ND2 3.38Å; N40-P42 VanDerWaalsContact O-CD 3.27Å; N40-P42 WeakPolarHBondContact O-CD 3.36Å
41E95Very high95.1Very high27 Ų2791.6 Ų91.613%0.12647%0.465CS..  trans-65.2119.2-177.9-168.3-176.4157.800111.1M1 R20 K45 A46 R49M1-E41 WeakPolarHBondContact CB-OE2 3.02Å; M1-E41 VanDerWaalsContact CG-OE2 3.3Å; M1-E41 WeakPolarHBondContact CG-OE2 3.3Å; R20-E41 IonicContact CZ-OE2 2.73Å; R20-E41 VanDerWaalsContact NH2-CD 3.31Å; R20-E41 IonicContact NH2-OE1 2.73Å; R20-E41 IonicContact NH2-OE2 3.36Å; R20-E41 PolarHBondContact NH2-OE2 3.27Å; E41-K45 HydrophobicContact CG-CB 4.03Å; E41-K45 HydrophobicContact CG-CD 4.25Å; E41-K45 WeakPolarHBondContact OE1-CB 3.39Å; E41-A46 PolarHBondContact OE1-N 3.19Å; E41-R49 IonicContact OE1-CZ 3.33Å; E41-R49 IonicContact OE1-NE 3.2Å; E41-R49 PolarHBondContact OE1-NE 3.19Å; E41-R49 IonicContact OE1-NH2 3.68Å; E41-R49 PolarHBondContact OE1-NH2 3.46Å; E41-R49 IonicContact OE2-NH2 2.8Å; E41-R49 PolarHBondContact OE2-NH2 3.38Å
42P95.7Very high94.8Very high60 Ų6089.1 Ų89.139%0.3945%0.449SS..  trans-65.5142178.327-35.8000111N40 E44 K45N40-P42 VanDerWaalsContact O-CD 3.27Å; N40-P42 WeakPolarHBondContact O-CD 3.36Å; P42-E44 PolarHBondContact O-N 3.42Å; P42-K45 HydrophobicContact CG-CB 4.22Å; P42-K45 HydrophobicContact CG-CD 3.84Å; P42-K45 HydrophobicContact CG-CG 3.8Å; P42-K45 PolarHBondContact O-N 2.9Å
43A94.2Very high94.5Very high69 Ų6988.7 Ų88.757%0.5744%0.44SS*.Hα-helixtrans-56.3-26.718000000113.3A46 K47A43-A46 PolarHBondContact O-N 3.31Å; A43-K47 WeakPolarHBondContact O-CG 3.44Å; A43-K47 PolarHBondContact O-N 3.2Å
44E95.9Very high94.2Very high151 Ų15184.5 Ų84.571%0.70642%0.422SS*.Hα-helixtrans-65.4-35.3175.6-63.5-174.416900113.2P42 K47 S48P42-E44 PolarHBondContact O-N 3.42Å; E44-K47 PolarHBondContact O-N 3.48Å; E44-S48 VanDerWaalsContact O-CB 3.29Å; E44-S48 WeakPolarHBondContact O-CB 3.27Å; E44-S48 PolarHBondContact O-N 3.16Å; E44-S48 PolarHBondContact O-OG 3.43Å
45K94.9Very high94Very high103 Ų10385.8 Ų85.845%0.44842%0.419SS..Hα-helixtrans-67-43.8175.7-80.2-175.6-171.7176.80110.7E41 P42 K47 S48 R49E41-K45 HydrophobicContact CG-CB 4.03Å; E41-K45 HydrophobicContact CG-CD 4.25Å; E41-K45 WeakPolarHBondContact OE1-CB 3.39Å; P42-K45 HydrophobicContact CG-CB 4.22Å; P42-K45 HydrophobicContact CG-CD 3.84Å; P42-K45 HydrophobicContact CG-CG 3.8Å; P42-K45 PolarHBondContact O-N 2.9Å; K45-K47 PolarHBondContact O-N 3.47Å; K45-S48 PolarHBondContact O-N 3.28Å; K45-R49 PolarHBondContact O-N 3.27Å
46A93.2Very high93.6Very high18 Ų1882.3 Ų82.315%0.14941%0.409CS..Hα-helixtrans-60.9-43.2174.700000112.2E41 A43 R49 R50E41-A46 PolarHBondContact OE1-N 3.19Å; A43-A46 PolarHBondContact O-N 3.31Å; A46-R49 PolarHBondContact O-N 3.48Å; A46-R50 WeakPolarHBondContact O-CG 3.43Å; A46-R50 PolarHBondContact O-N 3.32Å; A46-R50 VanDerWaalsContact O-N 3.14Å
47K94.8Very high93.1Very high135 Ų13578.7 Ų78.759%0.58739%0.392SS*.Hα-helixtrans-62.4-46.3173.7-72.9177.8-177178.30111.9A43 E44 K45 R49 R50 E51A43-K47 WeakPolarHBondContact O-CG 3.44Å; A43-K47 PolarHBondContact O-N 3.2Å; E44-K47 PolarHBondContact O-N 3.48Å; K45-K47 PolarHBondContact O-N 3.47Å; K47-R49 VanDerWaalsContact C-N 3.3Å; K47-R49 PolarHBondContact O-N 3.25Å; K47-R50 PolarHBondContact O-N 2.95Å; K47-R50 VanDerWaalsContact O-N 3.15Å; K47-E51 WeakPolarHBondContact O-CG 3.46Å; K47-E51 PolarHBondContact O-N 3.45Å
48S94.8Very high92.8Very high57 Ų5779.8 Ų79.840%0.39939%0.392SS..Hα-helixtrans-60.4-39.9179.6-62.60000112.2E44 K45 E51 R52E44-S48 VanDerWaalsContact O-CB 3.29Å; E44-S48 WeakPolarHBondContact O-CB 3.27Å; E44-S48 PolarHBondContact O-N 3.16Å; E44-S48 PolarHBondContact O-OG 3.43Å; K45-S48 PolarHBondContact O-N 3.28Å; S48-E51 PolarHBondContact O-N 2.99Å; S48-R52 WeakPolarHBondContact O-CB 3.35Å; S48-R52 PolarHBondContact O-N 3.1Å
49R93Very high92.3Very high11 Ų1183.4 Ų83.44%0.04241%0.41CS..Hα-helixtrans-61.5-47.4173-82-168.1-80.7129.812.2112.3M1 D2 E16 E41 K45 A46 K47 E51 R52 W53M1-R49 VanDerWaalsContact CB-CZ 3.5Å; D2-R49 VanDerWaalsContact CG-CD 3.41Å; D2-R49 WeakPolarHBondContact OD1-CD 3.42Å; D2-R49 IonicContact OD1-NE 3.19Å; D2-R49 PolarHBondContact OD1-NE 3.2Å; E16-R49 IonicContact OE1-CZ 3.7Å; E16-R49 IonicContact OE1-NH1 2.71Å; E16-R49 PolarHBondContact OE1-NH1 3.25Å; E16-R49 IonicContact OE1-NH2 3.83Å; E16-R49 PolarHBondContact OE1-NH2 3.19Å; E16-R49 IonicContact OE2-CZ 2.63Å; E16-R49 IonicContact OE2-NH1 3.9Å; E16-R49 PolarHBondContact OE2-NH1 3.44Å; E16-R49 IonicContact OE2-NH2 3.36Å; E41-R49 IonicContact OE1-CZ 3.33Å; E41-R49 IonicContact OE1-NE 3.2Å; E41-R49 PolarHBondContact OE1-NE 3.19Å; E41-R49 IonicContact OE1-NH2 3.68Å; E41-R49 PolarHBondContact OE1-NH2 3.46Å; E41-R49 IonicContact OE2-NH2 2.8Å; E41-R49 PolarHBondContact OE2-NH2 3.38Å; K45-R49 PolarHBondContact O-N 3.27Å; A46-R49 PolarHBondContact O-N 3.48Å; K47-R49 VanDerWaalsContact C-N 3.3Å; K47-R49 PolarHBondContact O-N 3.25Å; R49-E51 VanDerWaalsContact C-N 3.35Å; R49-E51 PolarHBondContact O-N 3Å; R49-R52 PolarHBondContact O-N 3.11Å; R49-W53 PolarHBondContact O-N 3.38Å
50R93.1Very high91.6Very high133 Ų13382 Ų8250%0.50240%0.395SS..Hα-helixtrans-60.3-44176.5-70.3176.9-173.9-173.33.1112.1I13 A46 K47 W53 M54I13-R50 HydrophobicContact CD1-CG 4Å; I13-R50 HydrophobicContact CG1-CB 4.36Å; I13-R50 HydrophobicContact CG1-CG 3.7Å; A46-R50 WeakPolarHBondContact O-CG 3.43Å; A46-R50 PolarHBondContact O-N 3.32Å; A46-R50 VanDerWaalsContact O-N 3.14Å; K47-R50 PolarHBondContact O-N 2.95Å; K47-R50 VanDerWaalsContact O-N 3.15Å; R50-W53 PolarHBondContact O-N 3.29Å; R50-M54 WeakPolarHBondContact O-CB 3.27Å; R50-M54 VanDerWaalsContact O-CG 3.25Å; R50-M54 WeakPolarHBondContact O-CG 3.44Å; R50-M54 PolarHBondContact O-N 3.06Å
51E94.5Very high91Very high107 Ų10782.7 Ų82.750%0.539%0.394SS..Hα-helixtrans-64.1-41.5177-72.9-176.9-169.400112.9K47 S48 R49 M54 R55K47-E51 WeakPolarHBondContact O-CG 3.46Å; K47-E51 PolarHBondContact O-N 3.45Å; S48-E51 PolarHBondContact O-N 2.99Å; R49-E51 VanDerWaalsContact C-N 3.35Å; R49-E51 PolarHBondContact O-N 3Å; E51-M54 PolarHBondContact O-N 3.37Å; E51-R55 WeakPolarHBondContact O-CB 3.43Å; E51-R55 WeakPolarHBondContact O-CG 3.41Å; E51-R55 PolarHBondContact O-N 3.15Å; E51-R55 IonicContact OE2-NH2 3.84Å; E51-R55 PolarHBondContact OE2-NH2 2.83Å; E51-R55 VanDerWaalsContact OE2-NH2 3.07Å
52R91.2Very high90.5Very high99 Ų9988.4 Ų88.437%0.37442%0.419SS..Hα-helixtrans-58.5-50.5175.8-173.2-172.4-59.9138.73.7110.3D2 S48 R49 M54 R55 E56D2-R52 IonicContact OD2-NH1 3.06Å; S48-R52 WeakPolarHBondContact O-CB 3.35Å; S48-R52 PolarHBondContact O-N 3.1Å; R49-R52 PolarHBondContact O-N 3.11Å; R52-M54 VanDerWaalsContact C-N 3.35Å; R52-M54 PolarHBondContact O-N 3.25Å; R52-R55 PolarHBondContact O-N 2.9Å; R52-R55 VanDerWaalsContact O-N 3.16Å; R52-E56 WeakPolarHBondContact CG-OE1 3.35Å; R52-E56 WeakPolarHBondContact O-CG 3.26Å; R52-E56 PolarHBondContact O-N 3.4Å
53W90Very high89.3Confident58 Ų5889.4 Ų89.422%0.2242%0.415CS..Hα-helixtrans-60-42.8177.5-172.293.7000112.4I13 R49 R50 R55 E56 S57I13-W53 HydrophobicContact CB-CB 4.19Å; I13-W53 HydrophobicContact CB-CD2 3.71Å; I13-W53 HydrophobicContact CB-CE3 4.16Å; I13-W53 HydrophobicContact CB-CG 3.71Å; I13-W53 HydrophobicContact CG1-CB 4.33Å; I13-W53 HydrophobicContact CG1-CG 4.38Å; I13-W53 HydrophobicContact CG2-CD2 3.39Å; I13-W53 HydrophobicContact CG2-CE3 3.35Å; I13-W53 HydrophobicContact CG2-CG 3.96Å; I13-W53 HydrophobicContact CG2-CH2 3.92Å; I13-W53 HydrophobicContact CG2-CZ2 3.98Å; I13-W53 HydrophobicContact CG2-CZ3 3.62Å; R49-W53 PolarHBondContact O-N 3.38Å; R50-W53 PolarHBondContact O-N 3.29Å; W53-R55 VanDerWaalsContact C-N 3.34Å; W53-R55 PolarHBondContact O-N 3.01Å; W53-E56 PolarHBondContact O-N 3.09Å; W53-S57 VanDerWaalsContact O-CB 3.22Å; W53-S57 WeakPolarHBondContact O-CB 3.4Å; W53-S57 PolarHBondContact O-N 2.9Å
54M91Very high88.4Confident93 Ų9390.8 Ų90.846%0.45842%0.419SS..Hα-helixtrans-65.6-35.2176.9-72.8-64-70.500112.8R50 E51 R52 K58R50-M54 WeakPolarHBondContact O-CB 3.27Å; R50-M54 VanDerWaalsContact O-CG 3.25Å; R50-M54 WeakPolarHBondContact O-CG 3.44Å; R50-M54 PolarHBondContact O-N 3.06Å; E51-M54 PolarHBondContact O-N 3.37Å; R52-M54 VanDerWaalsContact C-N 3.35Å; R52-M54 PolarHBondContact O-N 3.25Å; M54-K58 WeakPolarHBondContact O-CB 3.5Å; M54-K58 VanDerWaalsContact O-CG 3.26Å; M54-K58 WeakPolarHBondContact O-CG 3.44Å; M54-K58 PolarHBondContact O-N 3.09Å; M54-K58 VanDerWaalsContact O-N 3.1Å
55R91.9Very high87.6Confident132 Ų13287.7 Ų87.750%0.49842%0.42SS..Hα-helixtrans-67.1-50.1174.4-77.2-178-116.4133.1-4.7110.9E51 R52 W53 S57 K58 E59E51-R55 WeakPolarHBondContact O-CB 3.43Å; E51-R55 WeakPolarHBondContact O-CG 3.41Å; E51-R55 PolarHBondContact O-N 3.15Å; E51-R55 IonicContact OE2-NH2 3.84Å; E51-R55 PolarHBondContact OE2-NH2 2.83Å; E51-R55 VanDerWaalsContact OE2-NH2 3.07Å; R52-R55 PolarHBondContact O-N 2.9Å; R52-R55 VanDerWaalsContact O-N 3.16Å; W53-R55 VanDerWaalsContact C-N 3.34Å; W53-R55 PolarHBondContact O-N 3.01Å; R55-S57 VanDerWaalsContact C-N 3.34Å; R55-S57 PolarHBondContact O-N 2.97Å; R55-K58 PolarHBondContact O-N 3.08Å; R55-E59 WeakPolarHBondContact O-CG 3.21Å; R55-E59 PolarHBondContact O-N 2.88Å
56E86.2Confident86.8Confident79 Ų7988 Ų8837%0.36943%0.43SS..Hα-helixtrans-60.3-43177.5-71.1172.6-167.300111.8R52 W53 K58 E59 L60R52-E56 WeakPolarHBondContact CG-OE1 3.35Å; R52-E56 WeakPolarHBondContact O-CG 3.26Å; R52-E56 PolarHBondContact O-N 3.4Å; W53-E56 PolarHBondContact O-N 3.09Å; E56-K58 PolarHBondContact O-N 3.37Å; E56-E59 PolarHBondContact O-N 3.43Å; E56-L60 WeakPolarHBondContact O-CB 3.44Å; E56-L60 VanDerWaalsContact O-CG 3.29Å; E56-L60 WeakPolarHBondContact O-CG 3.29Å; E56-L60 PolarHBondContact O-N 3.26Å
57S85.4Confident85.4Confident36 Ų3689.5 Ų89.525%0.25245%0.447SS..Hα-helixtrans-61-45.1176.2-174.70000112.1W53 R55 L60 Q61W53-S57 VanDerWaalsContact O-CB 3.22Å; W53-S57 WeakPolarHBondContact O-CB 3.4Å; W53-S57 PolarHBondContact O-N 2.9Å; R55-S57 VanDerWaalsContact C-N 3.34Å; R55-S57 PolarHBondContact O-N 2.97Å; S57-L60 PolarHBondContact O-N 3.04Å; S57-Q61 WeakPolarHBondContact O-CB 3.5Å; S57-Q61 PolarHBondContact O-N 2.63Å
58K89.1Confident83.6Confident120 Ų12088 Ų8852%0.52245%0.445SS..Hα-helixtrans-64.8-39175.3-76174.8-178.2178.80112.7M54 R55 E56 K62M54-K58 WeakPolarHBondContact O-CB 3.5Å; M54-K58 VanDerWaalsContact O-CG 3.26Å; M54-K58 WeakPolarHBondContact O-CG 3.44Å; M54-K58 PolarHBondContact O-N 3.09Å; M54-K58 VanDerWaalsContact O-N 3.1Å; R55-K58 PolarHBondContact O-N 3.08Å; E56-K58 PolarHBondContact O-N 3.37Å; K58-K62 VanDerWaalsContact O-CG 3.3Å; K58-K62 WeakPolarHBondContact O-CG 3.06Å; K58-K62 PolarHBondContact O-N 3.22Å
59E84.4Confident81.9Confident91 Ų9191.8 Ų91.843%0.42547%0.466SS..Hα-helixtrans-67.2-43.5177.4-75.9-179-161.300111.7R55 E56 K62 R63R55-E59 WeakPolarHBondContact O-CG 3.21Å; R55-E59 PolarHBondContact O-N 2.88Å; E56-E59 PolarHBondContact O-N 3.43Å; E59-K62 PolarHBondContact O-N 3.34Å; E59-R63 WeakPolarHBondContact O-CG 3.5Å; E59-R63 PolarHBondContact O-N 3.23Å; E59-R63 IonicContact OE2-NH2 3.79Å
60L79.8Confident80.2Confident20 Ų2094.1 Ų94.111%0.10549%0.494CS..Hα-helixtrans-61.4-45.2173.9-72.2170.4000111.1E56 S57 K62 R63 C64E56-L60 WeakPolarHBondContact O-CB 3.44Å; E56-L60 VanDerWaalsContact O-CG 3.29Å; E56-L60 WeakPolarHBondContact O-CG 3.29Å; E56-L60 PolarHBondContact O-N 3.26Å; S57-L60 PolarHBondContact O-N 3.04Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.49Å; L60-R63 PolarHBondContact O-N 3.27Å; L60-R63 VanDerWaalsContact O-N 3.13Å; L60-C64 PolarHBondContact O-N 3.06Å; L60-C64 PolarHBondContact O-SG 3.33Å
61Q82.4Confident78.4Confident138 Ų13893.1 Ų93.165%0.64550%0.503SS*.Hα-helixtrans-59.3-42.5176.4-170.4-179.824.500112.2S57 C64 A65S57-Q61 WeakPolarHBondContact O-CB 3.5Å; S57-Q61 PolarHBondContact O-N 2.63Å; Q61-C64 PolarHBondContact O-N 3.47Å; Q61-A65 WeakPolarHBondContact O-CB 3.34Å; Q61-A65 PolarHBondContact O-N 3.48Å
62K84.9Confident76.6Confident147 Ų14793.3 Ų93.364%0.63951%0.507SS*.Hα-helixtrans-62.6-41.1175.2-74.5173.4-177.5-179.20111.9K58 E59 L60 A65 V66K58-K62 VanDerWaalsContact O-CG 3.3Å; K58-K62 WeakPolarHBondContact O-CG 3.06Å; K58-K62 PolarHBondContact O-N 3.22Å; E59-K62 PolarHBondContact O-N 3.34Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.49Å; K62-A65 PolarHBondContact O-N 2.98Å; K62-V66 VanDerWaalsContact O-CG2 3.25Å; K62-V66 WeakPolarHBondContact O-CG2 3.13Å; K62-V66 PolarHBondContact O-N 2.96Å; K62-V66 VanDerWaalsContact O-N 3.15Å
63R70.8Confident74.9Confident80 Ų8092.5 Ų92.530%0.30251%0.506SS..Hα-helixtrans-68.8-42.1178.8-69.3179.2-167.4178.510.6112E59 L60 A65 V66 P74 E78E59-R63 WeakPolarHBondContact O-CG 3.5Å; E59-R63 PolarHBondContact O-N 3.23Å; E59-R63 IonicContact OE2-NH2 3.79Å; L60-R63 PolarHBondContact O-N 3.27Å; L60-R63 VanDerWaalsContact O-N 3.13Å; R63-A65 VanDerWaalsContact C-N 3.31Å; R63-A65 PolarHBondContact O-N 3.38Å; R63-V66 PolarHBondContact O-N 3.25Å; R63-P74 VanDerWaalsContact NH1-CD 3.27Å; R63-E78 IonicContact CZ-OE1 3.07Å; R63-E78 IonicContact CZ-OE2 3.11Å; R63-E78 IonicContact NH1-OE1 2.76Å; R63-E78 PolarHBondContact NH1-OE1 3.42Å; R63-E78 VanDerWaalsContact NH1-OE1 3.11Å; R63-E78 IonicContact NH1-OE2 3.59Å; R63-E78 PolarHBondContact NH1-OE2 3.3Å; R63-E78 IonicContact NH2-OE1 3.96Å; R63-E78 PolarHBondContact NH2-OE1 3.21Å; R63-E78 IonicContact NH2-OE2 3.33Å
64C75.1Confident73.5Confident98 Ų9894.5 Ų94.566%0.66253%0.527SS*.Hα-helixtrans-61.2-39.9173.4-64.10000111.5L60 Q61 V66 G67L60-C64 PolarHBondContact O-N 3.06Å; L60-C64 PolarHBondContact O-SG 3.33Å; Q61-C64 PolarHBondContact O-N 3.47Å; C64-V66 VanDerWaalsContact C-N 3.3Å; C64-V66 PolarHBondContact O-N 3.13Å; C64-G67 PolarHBondContact O-N 3.04Å
65A79.3Confident72.1Confident87 Ų8792.1 Ų92.172%0.71952%0.52SS*.Hα-helixtrans-67.2-28.1177.700000113.6Q61 K62 R63 G67Q61-A65 WeakPolarHBondContact O-CB 3.34Å; Q61-A65 PolarHBondContact O-N 3.48Å; K62-A65 PolarHBondContact O-N 2.98Å; R63-A65 VanDerWaalsContact C-N 3.31Å; R63-A65 PolarHBondContact O-N 3.38Å; A65-G67 PolarHBondContact O-N 3.11Å
66V78.6Confident70.6Confident110 Ų11089.9 Ų89.967%0.66752%0.517SS*.THydrogen-bonded Turntrans-76.6-3.3177.8173.10000112K62 R63 C64 N68K62-V66 VanDerWaalsContact O-CG2 3.25Å; K62-V66 WeakPolarHBondContact O-CG2 3.13Å; K62-V66 PolarHBondContact O-N 2.96Å; K62-V66 VanDerWaalsContact O-N 3.15Å; R63-V66 PolarHBondContact O-N 3.25Å; C64-V66 VanDerWaalsContact C-N 3.3Å; C64-V66 PolarHBondContact O-N 3.13Å; V66-N68 PolarHBondContact O-N 3.31Å; V66-N68 VanDerWaalsContact O-N 3.17Å
67G63.5Low69.6Low49 Ų4989.6 Ų89.651%0.50552%0.522SS..THydrogen-bonded Turntrans68.214.3172.400000114.2C64 A65 T69C64-G67 PolarHBondContact O-N 3.04Å; A65-G67 PolarHBondContact O-N 3.11Å; G67-T69 PolarHBondContact O-N 2.63Å
68N57.3Low68.6Low102 Ų10289.9 Ų89.955%0.54552%0.519SS..  trans-86.162.2177.4-123.24.3000109.6V66 G70V66-N68 PolarHBondContact O-N 3.31Å; V66-N68 VanDerWaalsContact O-N 3.17Å; N68-G70 PolarHBondContact O-N 3.3Å; N68-G70 VanDerWaalsContact O-N 3.15Å
69T58.4Low67.4Low137 Ų13787.7 Ų87.784%0.8451%0.513SS*.  trans-72.22.7-178.451.40000113.6G67G67-T69 PolarHBondContact O-N 2.63Å
70G57Low66.5Low60 Ų6088.8 Ų88.862%0.61952%0.516SS*.SBendtrans-106.4-42.3-164.900000117.6N68N68-G70 PolarHBondContact O-N 3.3Å; N68-G70 VanDerWaalsContact O-N 3.15Å
71T56.3Low65.9Low113 Ų11390.6 Ų90.669%0.69353%0.526SS*.SBendtrans-154.80.1-151.545.50000118.4
72N55.8Low65.1Low110 Ų11084.5 Ų84.559%0.58850%0.499SS*.  trans-135.368.8-173.3-68.5-58.9000112.9P74N72-P74 WeakPolarHBondContact O-CD 3.2Å
73F56.7Low64.2Low82 Ų8281.9 Ų81.936%0.3649%0.489SS..  trans-85.1104.1152.5-67.2-77.9000107.5S75 E78 L79 A82F73-S75 PolarHBondContact O-N 3.23Å; F73-S75 VanDerWaalsContact O-N 3.11Å; F73-E78 HydrophobicContact CD1-CB 4.16Å; F73-L79 HydrophobicContact CB-CB 3.76Å; F73-L79 HydrophobicContact CB-CD1 4.04Å; F73-L79 HydrophobicContact CB-CG 4.28Å; F73-L79 HydrophobicContact CD1-CB 4.45Å; F73-L79 HydrophobicContact CD2-CB 4.02Å; F73-L79 HydrophobicContact CD2-CD1 3.65Å; F73-L79 HydrophobicContact CD2-CG 3.73Å; F73-L79 HydrophobicContact CE2-CG 4.29Å; F73-L79 HydrophobicContact CG-CB 3.82Å; F73-L79 HydrophobicContact CG-CD1 4.15Å; F73-L79 HydrophobicContact CG-CG 4.08Å; F73-A82 HydrophobicContact CD1-CB 4.3Å; F73-A82 HydrophobicContact CE1-CB 3.32Å; F73-A82 HydrophobicContact CE2-CB 4.45Å; F73-A82 HydrophobicContact CZ-CB 3.41Å; F73-A82 VanDerWaalsContact CZ-CB 3.41Å
74P59.2Low64Low101 Ų10180 Ų8066%0.65648%0.483SS*.SBendtrans-67.8-6.9-177.527.4-34.5000113.5R63 N72 E78R63-P74 VanDerWaalsContact NH1-CD 3.27Å; N72-P74 WeakPolarHBondContact O-CD 3.2Å; P74-E78 VanDerWaalsContact CD-OE2 3.24Å; P74-E78 WeakPolarHBondContact CD-OE2 3.21Å; P74-E78 VanDerWaalsContact CG-OE2 3.3Å; P74-E78 WeakPolarHBondContact CG-OE2 3.16Å
75S62.3Low63.5Low43 Ų4380.2 Ų80.230%0.30147%0.47SS..SBendtrans-144.6139.3173.9710000112.7F73 P77 E78 L79F73-S75 PolarHBondContact O-N 3.23Å; F73-S75 VanDerWaalsContact O-N 3.11Å; S75-P77 VanDerWaalsContact C-N 3.3Å; S75-E78 PolarHBondContact N-OE2 3.07Å; S75-E78 WeakPolarHBondContact O-CB 3.27Å; S75-E78 PolarHBondContact O-N 3.32Å; S75-E78 WeakPolarHBondContact OG-CG 3.4Å; S75-E78 PolarHBondContact OG-OE2 2.97Å; S75-E78 VanDerWaalsContact OG-OE2 3.13Å; S75-L79 PolarHBondContact O-N 3.49Å
76L59.6Low62.8Low85 Ų8581.6 Ų81.645%0.44546%0.462SS..Hα-helixtrans-52.8-37.4178-146.3101.4000114E78 L79 F80 Y182 L186L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 3.47Å; L76-L79 PolarHBondContact O-N 3.22Å; L76-F80 WeakPolarHBondContact O-CB 3.22Å; L76-F80 PolarHBondContact O-N 3.13Å; L76-Y182 VanDerWaalsContact CB-OH 3.27Å; L76-Y182 WeakPolarHBondContact CB-OH 3.43Å; L76-L186 HydrophobicContact CD1-CD2 4.25Å
77P66.3Low61.8Low73 Ų7378.4 Ų78.447%0.47444%0.444SS..Hα-helixtrans-64.2-36175.5-22.434.7000113.2S75 F80 N81S75-P77 VanDerWaalsContact C-N 3.3Å; P77-F80 PolarHBondContact O-N 3.13Å; P77-N81 VanDerWaalsContact O-CB 3.29Å; P77-N81 WeakPolarHBondContact O-CB 3.31Å; P77-N81 PolarHBondContact O-N 2.75Å; P77-N81 PolarHBondContact O-ND2 2.8Å
78E63.9Low61.8Low41 Ų4177.4 Ų77.419%0.19243%0.427CS..Hα-helixtrans-69.1-40176.2-70.6169.8153.800111.3R63 F73 P74 S75 L76 F80 N81 A82R63-E78 IonicContact CZ-OE1 3.07Å; R63-E78 IonicContact CZ-OE2 3.11Å; R63-E78 IonicContact NH1-OE1 2.76Å; R63-E78 PolarHBondContact NH1-OE1 3.42Å; R63-E78 VanDerWaalsContact NH1-OE1 3.11Å; R63-E78 IonicContact NH1-OE2 3.59Å; R63-E78 PolarHBondContact NH1-OE2 3.3Å; R63-E78 IonicContact NH2-OE1 3.96Å; R63-E78 PolarHBondContact NH2-OE1 3.21Å; R63-E78 IonicContact NH2-OE2 3.33Å; F73-E78 HydrophobicContact CD1-CB 4.16Å; P74-E78 VanDerWaalsContact CD-OE2 3.24Å; P74-E78 WeakPolarHBondContact CD-OE2 3.21Å; P74-E78 VanDerWaalsContact CG-OE2 3.3Å; P74-E78 WeakPolarHBondContact CG-OE2 3.16Å; S75-E78 PolarHBondContact N-OE2 3.07Å; S75-E78 WeakPolarHBondContact O-CB 3.27Å; S75-E78 PolarHBondContact O-N 3.32Å; S75-E78 WeakPolarHBondContact OG-CG 3.4Å; S75-E78 PolarHBondContact OG-OE2 2.97Å; S75-E78 VanDerWaalsContact OG-OE2 3.13Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 3.47Å; E78-F80 VanDerWaalsContact C-N 3.34Å; E78-N81 PolarHBondContact O-N 3.11Å; E78-A82 VanDerWaalsContact O-CB 3.25Å; E78-A82 WeakPolarHBondContact O-CB 3.19Å; E78-A82 PolarHBondContact O-N 2.93Å
79L64.8Low62.4Low74 Ų7477.1 Ų77.139%0.38743%0.429SS..Hα-helixtrans-63.4-43.4173.9-165146.8000110.3F73 S75 L76 N81 A82 Q83F73-L79 HydrophobicContact CB-CB 3.76Å; F73-L79 HydrophobicContact CB-CD1 4.04Å; F73-L79 HydrophobicContact CB-CG 4.28Å; F73-L79 HydrophobicContact CD1-CB 4.45Å; F73-L79 HydrophobicContact CD2-CB 4.02Å; F73-L79 HydrophobicContact CD2-CD1 3.65Å; F73-L79 HydrophobicContact CD2-CG 3.73Å; F73-L79 HydrophobicContact CE2-CG 4.29Å; F73-L79 HydrophobicContact CG-CB 3.82Å; F73-L79 HydrophobicContact CG-CD1 4.15Å; F73-L79 HydrophobicContact CG-CG 4.08Å; S75-L79 PolarHBondContact O-N 3.49Å; L76-L79 PolarHBondContact O-N 3.22Å; L79-N81 VanDerWaalsContact C-N 3.35Å; L79-N81 PolarHBondContact O-N 2.94Å; L79-A82 PolarHBondContact O-N 2.95Å; L79-Q83 WeakPolarHBondContact O-CA 2.98Å; L79-Q83 WeakPolarHBondContact O-CB 3.35Å; L79-Q83 PolarHBondContact O-N 3.13Å
80F65.2Low63.3Low114 Ų11476.5 Ų76.550%0.542%0.417SS..Hα-helixtrans-66-37.7177.8-162.2-117.7000112.1L76 P77 E78 K84L76-F80 WeakPolarHBondContact O-CB 3.22Å; L76-F80 PolarHBondContact O-N 3.13Å; P77-F80 PolarHBondContact O-N 3.13Å; E78-F80 VanDerWaalsContact C-N 3.34Å; F80-K84 HydrophobicContact CD1-CD 3.97Å; F80-K84 HydrophobicContact CD1-CG 4.49Å; F80-K84 HydrophobicContact CE1-CD 4.05Å; F80-K84 WeakPolarHBondContact O-CB 3.36Å; F80-K84 WeakPolarHBondContact O-CG 3.38Å; F80-K84 PolarHBondContact O-N 3.38Å
81N67Low64.4Low58 Ų5877.8 Ų77.831%0.3141%0.409SS..Hα-helixtrans-72.4-37.7176.8-73-15.5000112.2P77 E78 L79 R85P77-N81 VanDerWaalsContact O-CB 3.29Å; P77-N81 WeakPolarHBondContact O-CB 3.31Å; P77-N81 PolarHBondContact O-N 2.75Å; P77-N81 PolarHBondContact O-ND2 2.8Å; E78-N81 PolarHBondContact O-N 3.11Å; L79-N81 VanDerWaalsContact C-N 3.35Å; L79-N81 PolarHBondContact O-N 2.94Å; N81-R85 WeakPolarHBondContact O-CG 3.46Å; N81-R85 PolarHBondContact O-N 3.02Å; N81-R85 VanDerWaalsContact O-N 3.17Å
82A66.1Low65.4Low10 Ų1076.8 Ų76.88%0.08340%0.395CS..Hα-helixtrans-68.2-48.7173.900000111.3F73 E78 L79 K84 R85 E86F73-A82 HydrophobicContact CD1-CB 4.3Å; F73-A82 HydrophobicContact CE1-CB 3.32Å; F73-A82 HydrophobicContact CE2-CB 4.45Å; F73-A82 HydrophobicContact CZ-CB 3.41Å; F73-A82 VanDerWaalsContact CZ-CB 3.41Å; E78-A82 VanDerWaalsContact O-CB 3.25Å; E78-A82 WeakPolarHBondContact O-CB 3.19Å; E78-A82 PolarHBondContact O-N 2.93Å; L79-A82 PolarHBondContact O-N 2.95Å; A82-K84 VanDerWaalsContact C-N 3.31Å; A82-K84 PolarHBondContact O-N 3.5Å; A82-R85 WeakPolarHBondContact O-CA 3.1Å; A82-R85 WeakPolarHBondContact O-CB 3.27Å; A82-R85 PolarHBondContact O-N 3.11Å; A82-E86 PolarHBondContact O-N 3.49Å
83Q64.9Low66.8Low92 Ų9274.4 Ų74.443%0.4339%0.387SS..Hα-helixtrans-60.7-40.1175.4-172.7178.614.900111.2L79 R85 E86 C87L79-Q83 WeakPolarHBondContact O-CA 2.98Å; L79-Q83 WeakPolarHBondContact O-CB 3.35Å; L79-Q83 PolarHBondContact O-N 3.13Å; Q83-R85 VanDerWaalsContact C-N 3.3Å; Q83-R85 PolarHBondContact O-N 2.66Å; Q83-E86 PolarHBondContact O-N 2.71Å; Q83-C87 WeakPolarHBondContact O-CB 3.48Å; Q83-C87 PolarHBondContact O-N 3.41Å; Q83-C87 PolarHBondContact O-SG 2.85Å
84K67.3Low68.2Low40 Ų4075.3 Ų75.317%0.17440%0.395CS..Hα-helixtrans-53.6-50.3170.4-86.3172.5167.4177.70109.9F80 A82 N88F80-K84 HydrophobicContact CD1-CD 3.97Å; F80-K84 HydrophobicContact CD1-CG 4.49Å; F80-K84 HydrophobicContact CE1-CD 4.05Å; F80-K84 WeakPolarHBondContact O-CB 3.36Å; F80-K84 WeakPolarHBondContact O-CG 3.38Å; F80-K84 PolarHBondContact O-N 3.38Å; A82-K84 VanDerWaalsContact C-N 3.31Å; A82-K84 PolarHBondContact O-N 3.5Å; K84-N88 WeakPolarHBondContact O-CB 3.32Å; K84-N88 PolarHBondContact O-N 3.46Å; K84-N88 PolarHBondContact O-ND2 2.8Å; K84-N88 PolarHBondContact O-OD1 3.4Å
85R64.5Low69.5Low103 Ų10373.8 Ų73.839%0.38938%0.381SS..Hα-helixtrans-64.3-41.3-179.6-68.5175.3-171.7175.65.2113.2N81 A82 Q83 N88 T89N81-R85 WeakPolarHBondContact O-CG 3.46Å; N81-R85 PolarHBondContact O-N 3.02Å; N81-R85 VanDerWaalsContact O-N 3.17Å; A82-R85 WeakPolarHBondContact O-CA 3.1Å; A82-R85 WeakPolarHBondContact O-CB 3.27Å; A82-R85 PolarHBondContact O-N 3.11Å; Q83-R85 VanDerWaalsContact C-N 3.3Å; Q83-R85 PolarHBondContact O-N 2.66Å; R85-N88 PolarHBondContact O-N 2.91Å; R85-T89 PolarHBondContact O-N 3.19Å
86E64.4Low70.7Confident116 Ų11676.5 Ų76.554%0.54239%0.392SS..Hα-helixtrans-67.8-49.9177.9-70.6173.2-175.800111.4A82 Q83 N88 T89 E90A82-E86 PolarHBondContact O-N 3.49Å; Q83-E86 PolarHBondContact O-N 2.71Å; E86-N88 PolarHBondContact O-N 3.39Å; E86-T89 PolarHBondContact O-N 3.03Å; E86-T89 PolarHBondContact O-OG1 3.47Å; E86-E90 PolarHBondContact O-N 3.39Å; E86-E90 VanDerWaalsContact O-N 3.13Å
87C57.6Low72.1Confident44 Ų4477.1 Ų77.130%0.29739%0.392SS..Hα-helixtrans-59.3-34.6174.9-68.50000111.7Q83 T89 E90 I91Q83-C87 WeakPolarHBondContact O-CB 3.48Å; Q83-C87 PolarHBondContact O-N 3.41Å; Q83-C87 PolarHBondContact O-SG 2.85Å; C87-T89 VanDerWaalsContact C-N 3.34Å; C87-T89 PolarHBondContact O-N 2.88Å; C87-E90 PolarHBondContact O-N 3.37Å; C87-I91 HydrophobicContact CB-CD1 4.3Å; C87-I91 VanDerWaalsContact O-CB 3.27Å; C87-I91 WeakPolarHBondContact O-CB 3.09Å; C87-I91 WeakPolarHBondContact O-CD1 3.19Å; C87-I91 WeakPolarHBondContact O-CG1 3.4Å; C87-I91 PolarHBondContact O-N 3.49Å
88N63.1Low73.3Confident27 Ų2780.5 Ų80.514%0.14440%0.4CS..Hα-helixtrans-60.5-47.1175.4-63.8-25.2000110.4M10 K84 R85 E86 E90 I91 F92M10-N88 HydrophobicContact CG-CB 4.49Å; M10-N88 VanDerWaalsContact CG-CG 3.43Å; M10-N88 WeakPolarHBondContact CG-ND2 3.4Å; M10-N88 WeakPolarHBondContact CG-OD1 3.42Å; K84-N88 WeakPolarHBondContact O-CB 3.32Å; K84-N88 PolarHBondContact O-N 3.46Å; K84-N88 PolarHBondContact O-ND2 2.8Å; K84-N88 PolarHBondContact O-OD1 3.4Å; R85-N88 PolarHBondContact O-N 2.91Å; E86-N88 PolarHBondContact O-N 3.39Å; N88-E90 VanDerWaalsContact C-N 3.33Å; N88-E90 PolarHBondContact O-N 3.19Å; N88-I91 PolarHBondContact O-N 2.8Å; N88-F92 HydrophobicContact CB-CD2 4.5Å; N88-F92 HydrophobicContact CB-CE2 4.38Å; N88-F92 WeakPolarHBondContact O-CD2 3.43Å; N88-F92 PolarHBondContact O-N 3.36Å
89T69.6Low74.3Confident97 Ų9786.1 Ų86.160%0.59542%0.42SS*.Hα-helixtrans-62.6-40.5179.557.60000112.5R85 E86 C87 S93R85-T89 PolarHBondContact O-N 3.19Å; E86-T89 PolarHBondContact O-N 3.03Å; E86-T89 PolarHBondContact O-OG1 3.47Å; C87-T89 VanDerWaalsContact C-N 3.34Å; C87-T89 PolarHBondContact O-N 2.88Å; T89-S93 WeakPolarHBondContact O-CB 3.39Å; T89-S93 PolarHBondContact O-N 2.75Å
90E76.7Confident75.2Confident124 Ų12490.3 Ų90.358%0.57943%0.431SS*.Hα-helixtrans-68.6-44.5177.4-68-175.9174.100111.9E86 C87 N88 F92 S93 L94E86-E90 PolarHBondContact O-N 3.39Å; E86-E90 VanDerWaalsContact O-N 3.13Å; C87-E90 PolarHBondContact O-N 3.37Å; N88-E90 VanDerWaalsContact C-N 3.33Å; N88-E90 PolarHBondContact O-N 3.19Å; E90-F92 VanDerWaalsContact C-N 3.35Å; E90-F92 PolarHBondContact O-N 3.26Å; E90-S93 WeakPolarHBondContact CA-OG 3.38Å; E90-S93 PolarHBondContact O-N 3.37Å; E90-S93 VanDerWaalsContact O-N 3.14Å; E90-S93 PolarHBondContact O-OG 3.3Å; E90-L94 WeakPolarHBondContact O-CG 3.43Å; E90-L94 PolarHBondContact O-N 2.9Å
91I80.6Confident75.9Confident86 Ų8690.1 Ų90.144%0.44143%0.43SS..Hα-helixtrans-60.4-44.5176.9-68.9163.5000110.4C87 N88 S93 L94 L95C87-I91 HydrophobicContact CB-CD1 4.3Å; C87-I91 VanDerWaalsContact O-CB 3.27Å; C87-I91 WeakPolarHBondContact O-CB 3.09Å; C87-I91 WeakPolarHBondContact O-CD1 3.19Å; C87-I91 WeakPolarHBondContact O-CG1 3.4Å; C87-I91 PolarHBondContact O-N 3.49Å; N88-I91 PolarHBondContact O-N 2.8Å; I91-S93 VanDerWaalsContact C-N 3.35Å; I91-L94 PolarHBondContact O-N 3.23Å; I91-L95 HydrophobicContact CG2-CD1 4Å; I91-L95 HydrophobicContact CG2-CG 4.42Å; I91-L95 WeakPolarHBondContact O-CB 3.29Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 3.28Å
92F78Confident76.3Confident92 Ų9290.8 Ų90.840%0.40444%0.436SS..Hα-helixtrans-67.2-36.2175.4-75.4-65.4000112.4M10 N88 E90 L94 L95 L96M10-F92 HydrophobicContact CE-CE2 3.24Å; M10-F92 HydrophobicContact CE-CZ 3.44Å; M10-F92 VanDerWaalsContact CE-CZ 3.44Å; M10-F92 HydrophobicContact SD-CE2 3.71Å; M10-F92 HydrophobicContact SD-CZ 3.83Å; N88-F92 HydrophobicContact CB-CD2 4.5Å; N88-F92 HydrophobicContact CB-CE2 4.38Å; N88-F92 WeakPolarHBondContact O-CD2 3.43Å; N88-F92 PolarHBondContact O-N 3.36Å; E90-F92 VanDerWaalsContact C-N 3.35Å; E90-F92 PolarHBondContact O-N 3.26Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 2.78Å; F92-L95 HydrophobicContact CD1-CD1 4.33Å; F92-L95 HydrophobicContact CE1-CD1 4.45Å; F92-L95 PolarHBondContact O-N 2.96Å; F92-L96 WeakPolarHBondContact O-CB 3.24Å; F92-L96 WeakPolarHBondContact O-CD1 3.36Å; F92-L96 WeakPolarHBondContact O-CG 3.3Å; F92-L96 PolarHBondContact O-N 3.34Å
93S84.7Confident76.7Confident61 Ų6196.3 Ų96.343%0.42746%0.46SS..Hα-helixtrans-62.8-41.7174.575.40000111.4T89 E90 I91 L96 E97T89-S93 WeakPolarHBondContact O-CB 3.39Å; T89-S93 PolarHBondContact O-N 2.75Å; E90-S93 WeakPolarHBondContact CA-OG 3.38Å; E90-S93 PolarHBondContact O-N 3.37Å; E90-S93 VanDerWaalsContact O-N 3.14Å; E90-S93 PolarHBondContact O-OG 3.3Å; I91-S93 VanDerWaalsContact C-N 3.35Å; S93-L96 PolarHBondContact O-N 3.36Å; S93-E97 VanDerWaalsContact O-CB 3.3Å; S93-E97 WeakPolarHBondContact O-CB 3.37Å; S93-E97 PolarHBondContact O-N 3.35Å
94L86.7Confident77Confident101 Ų10198.1 Ų98.153%0.52947%0.468SS..Hα-helixtrans-66.9-40.4176-71.7171.2000112E90 I91 F92 E97 K98E90-L94 WeakPolarHBondContact O-CG 3.43Å; E90-L94 PolarHBondContact O-N 2.9Å; I91-L94 PolarHBondContact O-N 3.23Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 2.78Å; L94-E97 PolarHBondContact O-N 3.32Å; L94-K98 WeakPolarHBondContact O-CG 3.2Å; L94-K98 PolarHBondContact O-N 3.39Å
95L85.9Confident76.8Confident68 Ų68103.2 Ų103.236%0.35649%0.493SS..Hα-helixtrans-65.7-49.1174.9-73.5172.1000110.8I91 F92 E97 K98 Y99I91-L95 HydrophobicContact CG2-CD1 4Å; I91-L95 HydrophobicContact CG2-CG 4.42Å; I91-L95 WeakPolarHBondContact O-CB 3.29Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 3.28Å; F92-L95 HydrophobicContact CD1-CD1 4.33Å; F92-L95 HydrophobicContact CE1-CD1 4.45Å; F92-L95 PolarHBondContact O-N 2.96Å; L95-E97 PolarHBondContact O-N 3.01Å; L95-K98 WeakPolarHBondContact O-CB 3.25Å; L95-K98 PolarHBondContact O-N 2.89Å; L95-K98 VanDerWaalsContact O-N 3.08Å; L95-Y99 HydrophobicContact CB-CD2 4.49Å; L95-Y99 HydrophobicContact CB-CE2 4.46Å; L95-Y99 HydrophobicContact CD2-CE2 4.3Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.9Å
96L87Confident76.9Confident101 Ų101104.8 Ų104.853%0.52951%0.505SS..Hα-helixtrans-57.1-40.3175.6-77.4164.8000111.3F92 S93 Y99 R100F92-L96 WeakPolarHBondContact O-CB 3.24Å; F92-L96 WeakPolarHBondContact O-CD1 3.36Å; F92-L96 WeakPolarHBondContact O-CG 3.3Å; F92-L96 PolarHBondContact O-N 3.34Å; S93-L96 PolarHBondContact O-N 3.36Å; L96-Y99 PolarHBondContact O-N 3.41Å; L96-R100 WeakPolarHBondContact O-CB 3.37Å; L96-R100 VanDerWaalsContact O-CG 3.24Å; L96-R100 WeakPolarHBondContact O-CG 3.44Å; L96-R100 PolarHBondContact O-N 3.5Å
97E90Very high77Confident97 Ų97106.4 Ų106.445%0.45351%0.512SS..Hα-helixtrans-66-40176-163.4-170.4151.100112.1S93 L94 L95 K101S93-E97 VanDerWaalsContact O-CB 3.3Å; S93-E97 WeakPolarHBondContact O-CB 3.37Å; S93-E97 PolarHBondContact O-N 3.35Å; L94-E97 PolarHBondContact O-N 3.32Å; L95-E97 PolarHBondContact O-N 3.01Å; E97-K101 WeakPolarHBondContact O-CG 3.46Å; E97-K101 PolarHBondContact O-N 2.81Å; E97-K101 WeakPolarHBondContact OE1-CE 3.2Å; E97-K101 IonicContact OE1-NZ 3.38Å; E97-K101 PolarHBondContact OE1-NZ 3.14Å
98K90.3Very high77.2Confident145 Ų145110.1 Ų110.163%0.6353%0.533SS*.Hα-helixtrans-63.4-45174.7-77.5-176.4177.1-173.60112.2L94 L95 K101 T102L94-K98 WeakPolarHBondContact O-CG 3.2Å; L94-K98 PolarHBondContact O-N 3.39Å; L95-K98 WeakPolarHBondContact O-CB 3.25Å; L95-K98 PolarHBondContact O-N 2.89Å; L95-K98 VanDerWaalsContact O-N 3.08Å; K98-K101 PolarHBondContact O-N 3.47Å; K98-T102 PolarHBondContact O-N 2.93Å
99Y85.4Confident77.1Confident158 Ų158113.1 Ų113.162%0.6256%0.556SS**Hα-helixtrans-73.9-26.5-179-72.2-70.8000113.6L95 L96 K101 T102 E103L95-Y99 HydrophobicContact CB-CD2 4.49Å; L95-Y99 HydrophobicContact CB-CE2 4.46Å; L95-Y99 HydrophobicContact CD2-CE2 4.3Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.9Å; L96-Y99 PolarHBondContact O-N 3.41Å; Y99-K101 VanDerWaalsContact C-N 3.33Å; Y99-T102 WeakPolarHBondContact CA-OG1 3.39Å; Y99-T102 PolarHBondContact O-N 3.38Å; Y99-T102 PolarHBondContact O-OG1 3.25Å; Y99-E103 PolarHBondContact O-N 2.86Å
100R83.7Confident76.6Confident163 Ų163116.1 Ų116.162%0.61556%0.564SS**Hα-helixtrans-67.6-33.5170-77.1174.7178.7-176.81.1112.7L96 T102 E103 Q104L96-R100 WeakPolarHBondContact O-CB 3.37Å; L96-R100 VanDerWaalsContact O-CG 3.24Å; L96-R100 WeakPolarHBondContact O-CG 3.44Å; L96-R100 PolarHBondContact O-N 3.5Å; R100-T102 VanDerWaalsContact C-N 3.33Å; R100-E103 PolarHBondContact O-N 3.32Å; R100-Q104 PolarHBondContact O-N 2.93Å
101K79.9Confident75.7Confident110 Ų110121.3 Ų121.348%0.47858%0.578SS.*Hα-helixtrans-69-32.3178.4-73.2170.8-175.2168.60112E97 K98 Y99 Q104 Q105E97-K101 WeakPolarHBondContact O-CG 3.46Å; E97-K101 PolarHBondContact O-N 2.81Å; E97-K101 WeakPolarHBondContact OE1-CE 3.2Å; E97-K101 IonicContact OE1-NZ 3.38Å; E97-K101 PolarHBondContact OE1-NZ 3.14Å; K98-K101 PolarHBondContact O-N 3.47Å; Y99-K101 VanDerWaalsContact C-N 3.33Å; K101-Q104 PolarHBondContact O-N 3.32Å; K101-Q105 PolarHBondContact O-N 2.65Å; K101-Q105 VanDerWaalsContact O-N 3.13Å
102T75.2Confident74.4Confident72 Ų72122.1 Ų122.144%0.44259%0.588SS.*Hα-helixtrans-68.3-39.717641.20000112.3K98 Y99 R100 Q104 Q105 E106K98-T102 PolarHBondContact O-N 2.93Å; Y99-T102 WeakPolarHBondContact CA-OG1 3.39Å; Y99-T102 PolarHBondContact O-N 3.38Å; Y99-T102 PolarHBondContact O-OG1 3.25Å; R100-T102 VanDerWaalsContact C-N 3.33Å; T102-Q104 PolarHBondContact O-N 3.43Å; T102-Q105 PolarHBondContact O-N 2.86Å; T102-E106 PolarHBondContact O-N 3.47Å; T102-E106 VanDerWaalsContact O-N 3.14Å
103E74.6Confident73.1Confident126 Ų126124.3 Ų124.359%0.58961%0.61SS**Hα-helixtrans-63.1-40.9175.1-69.8176.1170.600111.7Y99 R100 Q105 E106 E107Y99-E103 PolarHBondContact O-N 2.86Å; R100-E103 PolarHBondContact O-N 3.32Å; E103-Q105 VanDerWaalsContact C-N 3.33Å; E103-Q105 PolarHBondContact O-N 3.47Å; E103-E106 PolarHBondContact O-N 2.73Å; E103-E107 PolarHBondContact O-N 3.43Å; E103-E107 VanDerWaalsContact O-N 3.15Å
104Q70.8Confident71.8Confident129 Ų129126.3 Ų126.360%0.60362%0.624SS**Hα-helixtrans-70.1-27178.2-69.4-177.6-4.900113.7R100 K101 T102 V108R100-Q104 PolarHBondContact O-N 2.93Å; K101-Q104 PolarHBondContact O-N 3.32Å; T102-Q104 PolarHBondContact O-N 3.43Å; Q104-V108 WeakPolarHBondContact O-CG2 3.2Å; Q104-V108 PolarHBondContact O-N 3.08Å
105Q64.6Low70.2Confident148 Ų148126.4 Ų126.469%0.69263%0.633SS**Hα-helixtrans-77.2-32.6174.8-77.6-167.7-20.800112.3K101 T102 E103 S109K101-Q105 PolarHBondContact O-N 2.65Å; K101-Q105 VanDerWaalsContact O-N 3.13Å; T102-Q105 PolarHBondContact O-N 2.86Å; E103-Q105 VanDerWaalsContact C-N 3.33Å; E103-Q105 PolarHBondContact O-N 3.47Å; Q105-S109 PolarHBondContact O-N 2.98Å
106E67Low69Low135 Ų135132.9 Ų132.963%0.63166%0.658SS**Hα-helixtrans-66.5-43.7172.8-76.1-177.7164.800111.4T102 E103 V108 S109 E110T102-E106 PolarHBondContact O-N 3.47Å; T102-E106 VanDerWaalsContact O-N 3.14Å; E103-E106 PolarHBondContact O-N 2.73Å; E106-V108 VanDerWaalsContact C-N 3.25Å; E106-V108 PolarHBondContact O-N 3.49Å; E106-S109 PolarHBondContact O-N 3.29Å; E106-S109 PolarHBondContact O-OG 3.5Å; E106-S109 VanDerWaalsContact O-OG 3.12Å; E106-E110 PolarHBondContact O-N 2.75Å
107E65.2Low67.5Low151 Ų151131.6 Ų131.671%0.70666%0.662SS**Hα-helixtrans-63-26.5178.4-73.7-173.1170.700113.7E103E103-E107 PolarHBondContact O-N 3.43Å; E103-E107 VanDerWaalsContact O-N 3.15Å
108V61.2Low66.4Low121 Ų121133.1 Ų133.173%0.73368%0.678SS**Hα-helixtrans-84.8-21.1176.2179.50000112.1Q104 E106Q104-V108 WeakPolarHBondContact O-CG2 3.2Å; Q104-V108 PolarHBondContact O-N 3.08Å; E106-V108 VanDerWaalsContact C-N 3.25Å; E106-V108 PolarHBondContact O-N 3.49Å
109S62Low64.9Low90 Ų90136.6 Ų136.663%0.62969%0.687SS**Hα-helixtrans-84.2-12.5176.785.70000114.1Q105 E106 R111Q105-S109 PolarHBondContact O-N 2.98Å; E106-S109 PolarHBondContact O-N 3.29Å; E106-S109 PolarHBondContact O-OG 3.5Å; E106-S109 VanDerWaalsContact O-OG 3.12Å; S109-R111 PolarHBondContact O-N 3.29Å
110E59.4Low63.7Low161 Ų161137.8 Ų137.875%0.75270%0.695SS**  trans-77.257171-64.5-168.1174.400111.7E106 P112E106-E110 PolarHBondContact O-N 2.75Å; E110-P112 WeakPolarHBondContact O-CD 3.3Å
111R57.5Low62.7Low233 Ų233137.4 Ų137.488%0.87970%0.704SS**  trans-89.8109.6152.4-88.4-170.4176.9-167.10.6108.2S109S109-R111 PolarHBondContact O-N 3.29Å
112P52.7Low61.9Low102 Ų102140.5 Ų140.566%0.66272%0.72SS**  trans-84160.2178.737-34.1000110.1E110E110-P112 WeakPolarHBondContact O-CD 3.3Å
113T50.3Low61.1Low138 Ų138144.1 Ų144.185%0.84774%0.737SS**  trans77.6123161.981.20000114
114S57.5Low60.6Low104 Ų104146.3 Ų146.373%0.72775%0.747SS**  cis-158.2144.442.963.40000111.5
115S53.8Low60.2Low103 Ų103144.9 Ų144.972%0.7275%0.749SS**  trans37.812414954.20000120.4
116K60.9Low60Low204 Ų204147.6 Ų147.689%0.88776%0.758SS**  trans78.565.9162.6-64.9173.3171.6169.90116.4
117A56Low59.4Low73 Ų73148.8 Ų148.860%0.60377%0.768SS**  trans-115.793.9147.400000107.6W119A117-W119 VanDerWaalsContact O-CD1 3.29Å; A117-W119 PolarHBondContact O-N 3.49Å
118V65.8Low59Low129 Ų129146.3 Ų146.378%0.78276%0.763SS**  trans-65.988.3165.2174.90000105.8K120V118-K120 VanDerWaalsContact C-N 3.28Å; V118-K120 PolarHBondContact O-N 3.49Å
119W58.8Low58.6Low219 Ų219150.1 Ų150.183%0.8377%0.77SS**  trans-70.697.9165.4-70.286.4000105.9A117 I121A117-W119 VanDerWaalsContact O-CD1 3.29Å; A117-W119 PolarHBondContact O-N 3.49Å; W119-I121 PolarHBondContact O-N 3.49Å
120K60.8Low58.4Low182 Ų182154.1 Ų154.179%0.79178%0.779SS**  trans-51.3109.2161.4-73.5177.4177.1178.80105.9V118 E122V118-K120 VanDerWaalsContact C-N 3.28Å; V118-K120 PolarHBondContact O-N 3.49Å; K120-E122 PolarHBondContact O-N 3.13Å
121I61.8Low58Low156 Ų156154.7 Ų154.780%0.878%0.781SS**  trans-6591.4164.8-65.2167.7000103.7W119 D123W119-I121 PolarHBondContact O-N 3.49Å; I121-D123 PolarHBondContact O-N 3.14Å
122E63.4Low58Low175 Ų175148.2 Ų148.282%0.81877%0.772SS**  trans-69.1111.2172.4-166.9153.9-164.200106.2K120 Q124K120-E122 PolarHBondContact O-N 3.13Å; E122-Q124 PolarHBondContact O-N 3.46Å
123D59.7Low58.1Low148 Ų148152 Ų15279%0.79178%0.781SS**  trans-41104.4179.3-80.3-47.5000110.8I121 P125I121-D123 PolarHBondContact O-N 3.14Å; D123-P125 WeakPolarHBondContact O-CD 3.24Å
124Q62.7Low58.4Low171 Ų171154.5 Ų154.580%0.79978%0.78SS**  trans-61.4122.3162.8-77.1-75.1-26.800107.4E122 K126E122-Q124 PolarHBondContact O-N 3.46Å; Q124-K126 PolarHBondContact O-N 3.32Å
125P63.9Low58.3Low99 Ų99160.6 Ų160.664%0.64379%0.787SS**  trans-62.1128178.124.8-31.8000108.7D123 L127D123-P125 WeakPolarHBondContact O-CD 3.24Å; P125-L127 VanDerWaalsContact C-N 3.28Å; P125-L127 PolarHBondContact O-N 3.28Å
126K58.8Low58.3Low205 Ų205161 Ų16189%0.89178%0.784SS**  trans-53.791.4168.9-65.1168.6-177.1169.10108.6Q124 V128Q124-K126 PolarHBondContact O-N 3.32Å; K126-V128 PolarHBondContact O-N 3.43Å
127L55.9Low58.1Low161 Ų161159.9 Ų159.984%0.84378%0.78SS**  trans-71.586.3166.7-94162.5000108.3P125P125-L127 VanDerWaalsContact C-N 3.28Å; P125-L127 PolarHBondContact O-N 3.28Å
128V55.2Low58Low99 Ų99163.8 Ų163.860%0.679%0.79SS**  trans37.992.3131.3-175.90000114.4K126 Q130K126-V128 PolarHBondContact O-N 3.43Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 HydrophobicContact CG1-CB 4.34Å; V128-Q130 HydrophobicContact CG1-CG 3.7Å; V128-Q130 PolarHBondContact O-N 3.15Å; V128-Q130 VanDerWaalsContact O-N 3.1Å
129K54Low57.5Low201 Ų201165.8 Ų165.887%0.87479%0.79SS**  trans-66.790.2151.5-68.3173.6177.7176.10108.4
130Q57.1Low57.4Low174 Ų174159.8 Ų159.881%0.81379%0.788SS**  trans-89.296.2153.8-86.9174.2-9.500105.6V128V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 HydrophobicContact CG1-CB 4.34Å; V128-Q130 HydrophobicContact CG1-CG 3.7Å; V128-Q130 PolarHBondContact O-N 3.15Å; V128-Q130 VanDerWaalsContact O-N 3.1Å
131Q51.3Low57.7Low172 Ų172156.8 Ų156.880%0.80479%0.787SS**  56.4129.981.4-70.7-162.6-17.200114.1
132S57.2Low57Low97 Ų97157.3 Ų157.368%0.67879%0.786SS**  trans75.698.1170.671.40000115.3
133E54.3Low56.6Low182 Ų182153.4 Ų153.485%0.8578%0.783SS**  48.270.971.6-56.5-172.6144.800111.9
134K57.1Low56.3Low191 Ų191154.9 Ų154.983%0.8378%0.783SS**  trans-110.485.1149.7-79-176.4178.9176.80108.5V136K134-V136 VanDerWaalsContact C-N 3.33Å; K134-V136 PolarHBondContact O-N 3.05Å
135R55.4Low56.1Low231 Ų231152.5 Ų152.587%0.87278%0.78SS**  trans-6096.7156.3-75.6179.9171.2-134.70107.5K137R135-K137 VanDerWaalsContact C-N 3.33Å; R135-K137 PolarHBondContact O-N 3.36Å
136V54.1Low55.7Low111 Ų111154.3 Ų154.367%0.67379%0.785SS**  trans-82.489.6162.6175.20000106.6K134 L138K134-V136 VanDerWaalsContact C-N 3.33Å; K134-V136 PolarHBondContact O-N 3.05Å; V136-L138 HydrophobicContact CG1-CD1 3.88Å; V136-L138 HydrophobicContact CG1-CG 3.69Å; V136-L138 PolarHBondContact O-N 3.34Å
137K56.1Low55.3Low182 Ų182151.6 Ų151.679%0.79179%0.785SS**  trans-62.9102153.4-96.9176.9169.4-178.40106R135R135-K137 VanDerWaalsContact C-N 3.33Å; R135-K137 PolarHBondContact O-N 3.36Å
138L55.5Low55.3Low155 Ų155153.5 Ų153.581%0.81279%0.786SS**  trans-97.4105.8157.5-83.6166.6000107V136V136-L138 HydrophobicContact CG1-CD1 3.88Å; V136-L138 HydrophobicContact CG1-CG 3.69Å; V136-L138 PolarHBondContact O-N 3.34Å
139E54.8Low55.3Low170 Ų170158.8 Ų158.879%0.79480%0.801SS**  trans-58.5132.7174.2-63.3-178.1149.700109.9P141E139-P141 WeakPolarHBondContact O-CD 3.43Å
140A55.5Low55.2Low94 Ų94152.4 Ų152.478%0.77779%0.793SS**  trans-73.8125.3161.500000108.8
141P67.3Low55.1Low119 Ų119155.1 Ų155.177%0.77380%0.796SS**  trans-89.2112157.230.9-26.9000109.1E139 A143E139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-A143 PolarHBondContact O-N 3.12Å; P141-A143 VanDerWaalsContact O-N 3.14Å
142E47.9Very low55.6Low167 Ų167152.7 Ų152.778%0.7880%0.795SS**  trans-54.7110.9158.6-64.6-175166.300109.3
143A54.1Low55.6Low92 Ų92156 Ų15676%0.7680%0.8SS**  trans-11588169.100000109.6P141 T145P141-A143 PolarHBondContact O-N 3.12Å; P141-A143 VanDerWaalsContact O-N 3.14Å; A143-T145 PolarHBondContact O-N 2.87Å
144K55Low55.8Low179 Ų179157 Ų15778%0.77880%0.801SS**  trans-60.9116.2158.5-63.3166.4-177.31650108
145T57.7Low55.9Low121 Ų121153.3 Ų153.374%0.74279%0.794SS**  trans-150.3117.5149.846.50000112.6A143A143-T145 PolarHBondContact O-N 2.87Å
146N55.5Low56.1Low138 Ų138146.9 Ų146.974%0.73878%0.784SS**  trans66.984.6131.4-60.8-19.4000119.1K148N146-K148 PolarHBondContact O-N 3.23Å
147T49.8Very low56.5Low147 Ų147151.5 Ų151.590%0.90280%0.795SS**  trans-36.797.1132.340.60000112.8
148K56.5Low56.7Low201 Ų201151.6 Ų151.687%0.87480%0.799SS**  trans-101.7107.8161.5-109.9179-179.1176.40109.9N146 G150N146-K148 PolarHBondContact O-N 3.23Å; K148-G150 PolarHBondContact O-N 2.76Å
149K55Low56.7Low210 Ų210153 Ų15391%0.91380%0.798SS**  trans-57.2122.9163.3-64176178.6177.50108.3
150G52.9Low56.9Low67 Ų67153.3 Ų153.369%0.69180%0.8SS**  trans-145.280.8-173.900000112.7K148K148-G150 PolarHBondContact O-N 2.76Å
151W53.4Low57.1Low231 Ų231152.3 Ų152.388%0.87580%0.799SS**  trans58.8118.6149.1-71.852.7000119.4H153W151-H153 PolarHBondContact O-N 2.84Å
152P61.9Low56.6Low122 Ų122156.7 Ų156.779%0.79280%0.8SS**  trans-74.199.316731.1-30000109.1K154P152-K154 PolarHBondContact O-N 3.25Å
153H57.1Low57.1Low167 Ų167158 Ų15877%0.77380%0.797SS**  trans-69.9103.4167.3-123.9-65.3000108.4W151 V155W151-H153 PolarHBondContact O-N 2.84Å; H153-V155 VanDerWaalsContact C-N 3.25Å; H153-V155 HydrophobicContact CB-CG2 4.12Å; H153-V155 PolarHBondContact O-N 3.43Å
154K58.2Low57.4Low202 Ų202157 Ų15788%0.87879%0.789SS**  trans-62.789.7162-74.2178.5178177.20107.5P152P152-K154 PolarHBondContact O-N 3.25Å
155V59.5Low57.7Low114 Ų114155.7 Ų155.769%0.69179%0.786SS**  trans-86.9112.5172.5-176.30000107.9H153 K157H153-V155 VanDerWaalsContact C-N 3.25Å; H153-V155 HydrophobicContact CB-CG2 4.12Å; H153-V155 PolarHBondContact O-N 3.43Å; V155-K157 PolarHBondContact O-N 3.02Å
156S60.4Low57.9Low95 Ų95156.4 Ų156.466%0.66478%0.781SS**  trans-41.2127.6169.945.80000113.1E158S156-E158 PolarHBondContact O-N 3.45Å
157K61.8Low58.2Low208 Ų208156.5 Ų156.590%0.90478%0.775SS**SBendtrans-67.123.5-179.3-93-178.9173.1177.30116.1V155V155-K157 PolarHBondContact O-N 3.02Å
158E59.9Low58.9Low184 Ų184154.2 Ų154.286%0.8676%0.757SS**  trans-116.517.9-166.6-137.6175.4-176.200115.7S156S156-E158 PolarHBondContact O-N 3.45Å
159K57.4Low59.4Low184 Ų184151.4 Ų151.480%0.875%0.747SS**  trans-12814.9-177.9-125.3176.7-175.4178.10116.3G161K159-G161 VanDerWaalsContact C-N 3.3Å; K159-G161 PolarHBondContact O-N 2.73Å
160E58.7Low60Low177 Ų177148.5 Ų148.583%0.82774%0.737SS**THydrogen-bonded Turntrans-81.1-5.2-175.2-137162.3-164.500114.3
161G59Low60.6Low73 Ų73152.5 Ų152.575%0.75374%0.735SS**THydrogen-bonded Turntrans-84.9-9.7179.700000116.8K159K159-G161 VanDerWaalsContact C-N 3.3Å; K159-G161 PolarHBondContact O-N 2.73Å
162R57.3Low61.5Low212 Ų212147.3 Ų147.380%0.872%0.724SS**SBendtrans-110.7-8.6-177.6-65.4-165.1-168.1-154.55115.5A164R162-A164 VanDerWaalsContact C-N 3.31Å; R162-A164 PolarHBondContact O-N 3.11Å
163R58.1Low61.8Low193 Ų193149.8 Ų149.873%0.72872%0.719SS**Hα-helixtrans-80.1-8.6-175.8-118.3179.7-178.2-172.70.2114.7
164A60.3Low62.4Low72 Ų72144.8 Ų144.860%0.59571%0.707SS**Hα-helixtrans-80.7-32.8178.200000112.7R162R162-A164 VanDerWaalsContact C-N 3.31Å; R162-A164 PolarHBondContact O-N 3.11Å
165E61.1Low63.1Low151 Ų151136.9 Ų136.971%0.70668%0.682SS**Hα-helixtrans-76.5-32.7-177.4-65.3-177.116700112.4K167 D168 E169E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 2.76Å; E165-D168 PolarHBondContact O-N 3.42Å; E165-E169 PolarHBondContact O-N 2.99Å
166E61.3Low63.9Low137 Ų137136.2 Ų136.264%0.6468%0.675SS**Hα-helixtrans-67.9-30.7-178.1-159.7170.3-158.200112.9D168 E169 E170E166-D168 VanDerWaalsContact C-N 3.33Å; E166-D168 PolarHBondContact O-N 3.16Å; E166-E169 PolarHBondContact O-N 3.28Å; E166-E170 PolarHBondContact O-N 3.46Å
167K62.6Low64.7Low140 Ų140133.9 Ų133.961%0.60966%0.657SS**Hα-helixtrans-73.1-22.5177.7-70.6-172.7178.2-177.30113.7E165 K171E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 2.76Å; K167-K171 WeakPolarHBondContact O-CG 3.38Å
168D65.5Low65.2Low98 Ų98129.9 Ų129.952%0.52464%0.643SS.*Hα-helixtrans-84.5-27.7177.5-72.9-20.6000111.7E165 E166 N172E165-D168 PolarHBondContact O-N 3.42Å; E166-D168 VanDerWaalsContact C-N 3.33Å; E166-D168 PolarHBondContact O-N 3.16Å; D168-N172 PolarHBondContact O-N 3.4Å; D168-N172 PolarHBondContact O-ND2 2.94Å
169E66.5Low66Low143 Ų143129.3 Ų129.367%0.66863%0.633SS**Hα-helixtrans-70.1-41172.3-67.1-171174.700111.9E165 E166 K171 N172 Y173E165-E169 PolarHBondContact O-N 2.99Å; E166-E169 PolarHBondContact O-N 3.28Å; E169-K171 PolarHBondContact O-N 2.94Å; E169-N172 PolarHBondContact O-N 3.15Å; E169-Y173 PolarHBondContact O-N 3.14Å
170E67.5Low67.1Low149 Ų149123.9 Ų123.970%0.69662%0.615SS**Hα-helixtrans-66.9-38.6-179.1-156.2172.9-154.700112.3E166 N172 Y173 A174E166-E170 PolarHBondContact O-N 3.46Å; E170-N172 VanDerWaalsContact C-N 3.34Å; E170-N172 PolarHBondContact O-N 3.48Å; E170-Y173 PolarHBondContact O-N 2.83Å; E170-A174 PolarHBondContact O-N 3.17Å; E170-A174 VanDerWaalsContact O-N 3.16Å
171K65.7Low68.3Low151 Ų151122.7 Ų122.766%0.65760%0.603SS**Hα-helixtrans-65-37.4173.1-72.4176.2-174.8170.90112.3K167 E169 G175K167-K171 WeakPolarHBondContact O-CG 3.38Å; E169-K171 PolarHBondContact O-N 2.94Å; K171-G175 PolarHBondContact O-N 3.38Å
172N71.4Confident69.4Low121 Ų121123.6 Ų123.665%0.64758%0.584SS**Hα-helixtrans-70.7-33.5175.7-82.5-36.7000112.1D168 E169 E170 G175 N176D168-N172 PolarHBondContact O-N 3.4Å; D168-N172 PolarHBondContact O-ND2 2.94Å; E169-N172 PolarHBondContact O-N 3.15Å; E170-N172 VanDerWaalsContact C-N 3.34Å; E170-N172 PolarHBondContact O-N 3.48Å; N172-G175 PolarHBondContact O-N 3.46Å; N172-N176 WeakPolarHBondContact O-CB 3.36Å; N172-N176 PolarHBondContact O-N 2.9Å
173Y69.2Low70.8Confident175 Ų175122.3 Ų122.369%0.68658%0.58SS**Hα-helixtrans-65.7-47.3177.2-164.8-98.9000112E169 E170 G175 N176 V177E169-Y173 PolarHBondContact O-N 3.14Å; E170-Y173 PolarHBondContact O-N 2.83Å; Y173-G175 VanDerWaalsContact C-N 3.31Å; Y173-G175 PolarHBondContact O-N 3.37Å; Y173-N176 PolarHBondContact O-N 2.89Å; Y173-N176 VanDerWaalsContact O-N 3.11Å; Y173-V177 HydrophobicContact CD1-CG2 3.97Å; Y173-V177 HydrophobicContact CE1-CG2 3.71Å; Y173-V177 WeakPolarHBondContact O-CG2 3.39Å; Y173-V177 PolarHBondContact O-N 2.99Å
174A68.3Low72.2Confident61 Ų61118.9 Ų118.950%0.50457%0.572SS.*Hα-helixtrans-60.2-40.717600000112.1E170 N176 M178E170-A174 PolarHBondContact O-N 3.17Å; E170-A174 VanDerWaalsContact O-N 3.16Å; A174-N176 VanDerWaalsContact C-N 3.34Å; A174-N176 PolarHBondContact O-N 3.17Å; A174-M178 WeakPolarHBondContact O-CG 3.49Å; A174-M178 PolarHBondContact O-N 3.45Å
175G72.7Confident73.6Confident36 Ų36122.4 Ų122.437%0.37157%0.569SS.*Hα-helixtrans-63.1-36.8174.600000113.4K171 N172 Y173 R179K171-G175 PolarHBondContact O-N 3.38Å; N172-G175 PolarHBondContact O-N 3.46Å; Y173-G175 VanDerWaalsContact C-N 3.31Å; Y173-G175 PolarHBondContact O-N 3.37Å; G175-R179 WeakPolarHBondContact O-CG 3.43Å; G175-R179 PolarHBondContact O-N 3.13Å
176N76.3Confident74.9Confident101 Ų101118.1 Ų118.154%0.5455%0.551SS.*Hα-helixtrans-75.1-40.3-179.9-13111.2000112.2N172 Y173 A174 M178 R179 T180N172-N176 WeakPolarHBondContact O-CB 3.36Å; N172-N176 PolarHBondContact O-N 2.9Å; Y173-N176 PolarHBondContact O-N 2.89Å; Y173-N176 VanDerWaalsContact O-N 3.11Å; A174-N176 VanDerWaalsContact C-N 3.34Å; A174-N176 PolarHBondContact O-N 3.17Å; N176-M178 VanDerWaalsContact C-N 3.33Å; N176-M178 PolarHBondContact O-N 3.02Å; N176-R179 PolarHBondContact O-N 2.7Å; N176-T180 PolarHBondContact O-N 3.05Å; N176-T180 PolarHBondContact O-OG1 3.37Å
177V79Confident76.2Confident46 Ų46114.4 Ų114.428%0.27954%0.544SS..Hα-helixtrans-63-38.2176.5174.30000111.7Y173 T180 R181Y173-V177 HydrophobicContact CD1-CG2 3.97Å; Y173-V177 HydrophobicContact CE1-CG2 3.71Å; Y173-V177 WeakPolarHBondContact O-CG2 3.39Å; Y173-V177 PolarHBondContact O-N 2.99Å; V177-T180 PolarHBondContact O-N 3.48Å; V177-T180 PolarHBondContact O-OG1 2.85Å; V177-R181 PolarHBondContact O-N 3.31Å
178M71.2Confident77.7Confident124 Ų124114 Ų11461%0.61154%0.544SS*.Hα-helixtrans-69.3-35.8175.8-70.6-63.1-80.300112.1A174 N176 Y182A174-M178 WeakPolarHBondContact O-CG 3.49Å; A174-M178 PolarHBondContact O-N 3.45Å; N176-M178 VanDerWaalsContact C-N 3.33Å; N176-M178 PolarHBondContact O-N 3.02Å; M178-Y182 VanDerWaalsContact O-CB 3.31Å; M178-Y182 WeakPolarHBondContact O-CB 3.26Å; M178-Y182 PolarHBondContact O-N 3.29Å; M178-Y182 VanDerWaalsContact O-N 3.11Å
179R77.2Confident78.9Confident172 Ų172115.4 Ų115.465%0.64955%0.546SS*.Hα-helixtrans-67-38.7174.9-77.6179.7-173.1176.94112.6G175 N176 R183G175-R179 WeakPolarHBondContact O-CG 3.43Å; G175-R179 PolarHBondContact O-N 3.13Å; N176-R179 PolarHBondContact O-N 2.7Å; R179-R183 WeakPolarHBondContact O-CG 3.44Å; R179-R183 PolarHBondContact O-N 3.48Å; R179-R183 VanDerWaalsContact O-N 3.1Å
180T81Confident80.1Confident69 Ų69113.6 Ų113.642%0.42354%0.54SS..Hα-helixtrans-69-48.1178.954.10000111.6N176 V177 Y182 R183 E184N176-T180 PolarHBondContact O-N 3.05Å; N176-T180 PolarHBondContact O-OG1 3.37Å; V177-T180 PolarHBondContact O-N 3.48Å; V177-T180 PolarHBondContact O-OG1 2.85Å; T180-Y182 VanDerWaalsContact C-N 3.26Å; T180-Y182 PolarHBondContact O-N 2.91Å; T180-R183 WeakPolarHBondContact O-CB 3.47Å; T180-R183 PolarHBondContact O-N 2.78Å; T180-R183 VanDerWaalsContact O-N 3.1Å; T180-E184 PolarHBondContact O-N 2.9Å
181R82.1Confident81.3Confident152 Ų152111.3 Ų111.357%0.57453%0.532SS*.Hα-helixtrans-62.5-31176.9-71.7-175.2176.4-175.8-0.2113.5V177 R185V177-R181 PolarHBondContact O-N 3.31Å; R181-R185 PolarHBondContact O-N 2.97Å
182Y83.4Confident82.5Confident93 Ų93110 Ų11037%0.36553%0.528SS..Hα-helixtrans-70.5-41.6174-177.4-102.7000111.9L76 M178 T180 R185 L186L76-Y182 VanDerWaalsContact CB-OH 3.27Å; L76-Y182 WeakPolarHBondContact CB-OH 3.43Å; M178-Y182 VanDerWaalsContact O-CB 3.31Å; M178-Y182 WeakPolarHBondContact O-CB 3.26Å; M178-Y182 PolarHBondContact O-N 3.29Å; M178-Y182 VanDerWaalsContact O-N 3.11Å; T180-Y182 VanDerWaalsContact C-N 3.26Å; T180-Y182 PolarHBondContact O-N 2.91Å; Y182-R185 PolarHBondContact O-N 3.24Å; Y182-L186 HydrophobicContact CD1-CD1 3.94Å; Y182-L186 HydrophobicContact CE1-CD1 3.42Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.42Å; Y182-L186 HydrophobicContact CE1-CG 4.18Å; Y182-L186 PolarHBondContact O-N 2.89Å; Y182-L186 VanDerWaalsContact O-N 3.09Å
183R85.7Confident83.3Confident185 Ų185111 Ų11170%0.69853%0.529SS*.Hα-helixtrans-63.5-40.8174.8-75.3177.9175.8-167.7-1.9112.3R179 T180 L186 A187R179-R183 WeakPolarHBondContact O-CG 3.44Å; R179-R183 PolarHBondContact O-N 3.48Å; R179-R183 VanDerWaalsContact O-N 3.1Å; T180-R183 WeakPolarHBondContact O-CB 3.47Å; T180-R183 PolarHBondContact O-N 2.78Å; T180-R183 VanDerWaalsContact O-N 3.1Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-A187 PolarHBondContact O-N 3.07Å
184E88Confident84.2Confident120 Ų120109.9 Ų109.956%0.56153%0.53SS*.Hα-helixtrans-62.7-44.3176.2-74.7172.1174.400112.2T180 L186 A187 Q188T180-E184 PolarHBondContact O-N 2.9Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.29Å; E184-A187 PolarHBondContact O-N 3.42Å; E184-Q188 WeakPolarHBondContact O-CG 3.25Å; E184-Q188 PolarHBondContact O-N 2.86Å
185R90.8Very high85.1Confident146 Ų146113.5 Ų113.555%0.55154%0.536SS*.Hα-helixtrans-63.7-36175.8-81.3-173.5-78.1-174.3-4.2113R181 Y182 K189R181-R185 PolarHBondContact O-N 2.97Å; Y182-R185 PolarHBondContact O-N 3.24Å; R185-K189 PolarHBondContact O-N 3.43Å; R185-K189 VanDerWaalsContact O-N 3.15Å
186L86.6Confident85.3Confident61 Ų61114.2 Ų114.232%0.31954%0.536SS..Hα-helixtrans-66.9-41.7173.4-77.2176.3000111.9L76 Y182 R183 E184 Q188 K189 L190L76-L186 HydrophobicContact CD1-CD2 4.25Å; Y182-L186 HydrophobicContact CD1-CD1 3.94Å; Y182-L186 HydrophobicContact CE1-CD1 3.42Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.42Å; Y182-L186 HydrophobicContact CE1-CG 4.18Å; Y182-L186 PolarHBondContact O-N 2.89Å; Y182-L186 VanDerWaalsContact O-N 3.09Å; R183-L186 PolarHBondContact O-N 3.37Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.29Å; L186-Q188 VanDerWaalsContact C-N 3.35Å; L186-Q188 PolarHBondContact O-N 3.13Å; L186-K189 PolarHBondContact O-N 3.45Å; L186-L190 PolarHBondContact O-N 3.1Å
187A90.2Very high84.9Confident59 Ų59113.4 Ų113.449%0.48854%0.536SS..Hα-helixtrans-63-40.8176.800000111.9R183 E184 L190 L191R183-A187 PolarHBondContact O-N 3.07Å; E184-A187 PolarHBondContact O-N 3.42Å; A187-L190 PolarHBondContact O-N 3.35Å; A187-L191 PolarHBondContact O-N 2.92Å; A187-L191 VanDerWaalsContact O-N 3.08Å
188Q92.8Very high84.2Confident133 Ų133118.7 Ų118.762%0.62156%0.558SS**Hα-helixtrans-62.2-44.9175.4-75.2177.3-14.900112.4E184 L186 L190 L191 E192E184-Q188 WeakPolarHBondContact O-CG 3.25Å; E184-Q188 PolarHBondContact O-N 2.86Å; L186-Q188 VanDerWaalsContact C-N 3.35Å; L186-Q188 PolarHBondContact O-N 3.13Å; Q188-L190 PolarHBondContact O-N 3.37Å; Q188-L191 WeakPolarHBondContact O-CB 3.34Å; Q188-L191 PolarHBondContact O-N 3.25Å; Q188-E192 PolarHBondContact O-N 3.44Å
189K90.9Very high83.6Confident127 Ų127119.4 Ų119.455%0.55256%0.563SS**Hα-helixtrans-63.2-40.2177.4-77.6-171.8175.1-168.90113R185 L186 L191 E192 E193R185-K189 PolarHBondContact O-N 3.43Å; R185-K189 VanDerWaalsContact O-N 3.15Å; L186-K189 PolarHBondContact O-N 3.45Å; K189-L191 VanDerWaalsContact C-N 3.29Å; K189-L191 PolarHBondContact O-N 2.97Å; K189-E192 PolarHBondContact O-N 2.87Å; K189-E193 WeakPolarHBondContact O-CB 3.29Å; K189-E193 PolarHBondContact O-N 3.49Å
190L92.7Very high82.8Confident104 Ų104121.1 Ų121.155%0.54557%0.57SS.*Hα-helixtrans-62.9-38.1175-79.4169.4000111.7L186 A187 Q188 Q194L186-L190 PolarHBondContact O-N 3.1Å; A187-L190 PolarHBondContact O-N 3.35Å; Q188-L190 PolarHBondContact O-N 3.37Å; L190-Q194 WeakPolarHBondContact O-CG 3.4Å; L190-Q194 PolarHBondContact O-N 2.83Å; L190-Q194 VanDerWaalsContact O-N 3.08Å
191L91.9Very high82Confident102 Ų102121.7 Ų121.753%0.53458%0.577SS.*Hα-helixtrans-65.5-42.8175.3-152.890000111.4A187 Q188 K189 Q194 Q195A187-L191 PolarHBondContact O-N 2.92Å; A187-L191 VanDerWaalsContact O-N 3.08Å; Q188-L191 WeakPolarHBondContact O-CB 3.34Å; Q188-L191 PolarHBondContact O-N 3.25Å; K189-L191 VanDerWaalsContact C-N 3.29Å; K189-L191 PolarHBondContact O-N 2.97Å; L191-Q194 PolarHBondContact O-N 3.29Å; L191-Q195 WeakPolarHBondContact O-CG 3.41Å; L191-Q195 PolarHBondContact O-N 2.91Å; L191-Q195 VanDerWaalsContact O-N 3.12Å
192E90.4Very high81.1Confident124 Ų124122.4 Ų122.458%0.57958%0.584SS**Hα-helixtrans-67.1-38.4178.5-168.9174.9-165.200112.2Q188 K189 Q195 S196Q188-E192 PolarHBondContact O-N 3.44Å; K189-E192 PolarHBondContact O-N 2.87Å; E192-Q195 PolarHBondContact O-N 3.15Å; E192-S196 WeakPolarHBondContact O-CB 3.22Å; E192-S196 PolarHBondContact O-N 3.02Å; E192-S196 PolarHBondContact O-OG 3.49Å
193E88.2Confident79.8Confident140 Ų140125.9 Ų125.965%0.65460%0.603SS**Hα-helixtrans-67.5-35175.4-170.5171.1-166.500111.9K189 Q195 P197K189-E193 WeakPolarHBondContact O-CB 3.29Å; K189-E193 PolarHBondContact O-N 3.49Å; E193-Q195 VanDerWaalsContact C-N 3.32Å; E193-P197 WeakPolarHBondContact O-CD 3.3Å
194Q88.1Confident78.7Confident152 Ų152126 Ų12671%0.7161%0.609SS**Hα-helixtrans-69.2-27.9172.1-74.9-177.50.100113.1L190 L191 P197L190-Q194 WeakPolarHBondContact O-CG 3.4Å; L190-Q194 PolarHBondContact O-N 2.83Å; L190-Q194 VanDerWaalsContact O-N 3.08Å; L191-Q194 PolarHBondContact O-N 3.29Å; Q194-P197 WeakPolarHBondContact O-CD 3.25Å
195Q87.3Confident77.2Confident137 Ų137126 Ų12664%0.6462%0.617SS**Hα-helixtrans-83.8-28177.2-71.4179.6-4.100113.3L191 E192 E193 P197L191-Q195 WeakPolarHBondContact O-CG 3.41Å; L191-Q195 PolarHBondContact O-N 2.91Å; L191-Q195 VanDerWaalsContact O-N 3.12Å; E192-Q195 PolarHBondContact O-N 3.15Å; E193-Q195 VanDerWaalsContact C-N 3.32Å; Q195-P197 WeakPolarHBondContact O-CD 3.34Å
196S77.9Confident75.7Confident52 Ų52123.9 Ų123.936%0.36463%0.625SS.*THydrogen-bonded Turntrans-69-14.7-177.3-63.90000118.8E192 Q198 L199E192-S196 WeakPolarHBondContact O-CB 3.22Å; E192-S196 PolarHBondContact O-N 3.02Å; E192-S196 PolarHBondContact O-OG 3.49Å; S196-Q198 PolarHBondContact O-N 3.17Å; S196-Q198 VanDerWaalsContact O-N 3.15Å; S196-L199 PolarHBondContact O-N 3.22Å
197P67.8Low74.3Confident83 Ų83125.5 Ų125.554%0.53965%0.647SS.*Hα-helixtrans-63.4-23.6-177.2-21.332.7000114E193 Q194 Q195 L199E193-P197 WeakPolarHBondContact O-CD 3.3Å; Q194-P197 WeakPolarHBondContact O-CD 3.25Å; Q195-P197 WeakPolarHBondContact O-CD 3.34Å; P197-L199 PolarHBondContact O-N 3.41Å
198Q64.4Low72.8Confident158 Ų158134.1 Ų134.174%0.73867%0.667SS**Hα-helixtrans-77.9-17.8-176.6-65.7-149.4-4.200114.6S196S196-Q198 PolarHBondContact O-N 3.17Å; S196-Q198 VanDerWaalsContact O-N 3.15Å
199L58.4Low71.1Confident138 Ų138132.3 Ų132.372%0.72367%0.669SS**Hα-helixtrans-88.3-29.8179.2-66.7176000112.5S196 P197 S201 K202S196-L199 PolarHBondContact O-N 3.22Å; P197-L199 PolarHBondContact O-N 3.41Å; L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 3.15Å; L199-K202 PolarHBondContact O-N 3.45Å
200R59.9Low69.6Low208 Ų208133.6 Ų133.679%0.78568%0.682SS**Hα-helixtrans-73.8-18.8-177.9-71.5-171.8179.3-143.50.3114.6
201S65Low67.7Low82 Ų82135.2 Ų135.257%0.57370%0.696SS**THydrogen-bonded Turntrans-81.1-19.417858.50000113.6L199L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 3.15Å
202K61.9Low66Low166 Ų166136.2 Ų136.272%0.72271%0.706SS**THydrogen-bonded Turntrans-85.6-23.3-177.7-67.7-172.8178.9-179.60114.1L199 K204L199-K202 PolarHBondContact O-N 3.45Å; K202-K204 PolarHBondContact O-N 3.48Å
203E57.8Low64.2Low166 Ų166137.8 Ų137.878%0.77672%0.718SS**THydrogen-bonded Turntrans-80.2-18-175.1-151.8171.7-171.100113.6
204K60.7Low62.4Low188 Ų188135 Ų13582%0.81773%0.726SS**THydrogen-bonded Turntrans-85.3-3.3-179.1-74.2-172.7177.7-1790115.6K202K202-K204 PolarHBondContact O-N 3.48Å
205V58.3Low60.7Low120 Ų120136.1 Ų136.173%0.72774%0.736SS**SBendtrans-98.4-17-177.6-172.50000112.9A207V205-A207 PolarHBondContact O-N 3.41Å
206S57.5Low59Low102 Ų102132.7 Ų132.771%0.71374%0.737SS**THydrogen-bonded Turntrans-84-7.8-175.2-176.10000115.6
207A58.7Low57.9Low95 Ų95139.3 Ų139.379%0.78576%0.762SS**THydrogen-bonded Turntrans-95.610.3-171.200000115.2V205V205-A207 PolarHBondContact O-N 3.41Å
208R58.2Low56.9Low239 Ų239146.2 Ų146.290%0.90278%0.778SS**SBendtrans-117.66.1-169.9-96.7-174.8172.3-168.3-2.3117.5
209S57.6Low56.6Low95 Ų95145 Ų14566%0.66478%0.781SS**SBendtrans-106.55-172.261.70000117.8
210N58Low56.1Low154 Ų154146.2 Ų146.282%0.82478%0.783SS**  trans-108.332-173.7-69.7-3000115.4
211V54.7Low55.7Low139 Ų139148 Ų14884%0.84279%0.79SS**  trans-126.473.3176.3-1710000110.2
212V54.5Low55.2Low123 Ų123152.3 Ų152.375%0.74580%0.798SS**  trans-142.9131.8166.9-176.70000107.4
213N54.3Low54.5Low157 Ų157155.9 Ų155.984%0.8481%0.807SS**  trans93.883176.5-53.3-29.1000116.7
214G49.6Very low54.1Low80 Ų80151.3 Ų151.383%0.82581%0.805SS**  trans-156.973.2165.600000110
215I52.5Low53.4Low177 Ų177154.8 Ų154.891%0.90881%0.813SS**  trans-64.1133.7171.7-70.3161.9000108.9
216G52.2Low53.1Low65 Ų65154.2 Ų154.267%0.6781%0.814SS**  trans147.5112.9159.700000116.3
217E55Low52.6Low191 Ų191154.5 Ų154.589%0.89382%0.816SS**  trans80.981.9146.6-58.2-166151.900120.2T219E217-T219 PolarHBondContact O-N 3.01Å
218R45.8Very low52.4Low227 Ų227158.1 Ų158.186%0.85782%0.822SS**  trans-48.6109.2149-169.4-176.8-159-169.54.6112.5
219T57.9Low52.1Low133 Ų133155.6 Ų155.682%0.81682%0.818SS**  trans-129.6119.4152.347.60000110.7E217 R221E217-T219 PolarHBondContact O-N 3.01Å; T219-R221 PolarHBondContact O-N 2.95Å
220Q49.2Very low51.9Low163 Ų163160.6 Ų160.676%0.76282%0.822SS**  trans-75.3120.2175.3-65.6-166.6-3.600109.8
221R51.2Low51.7Low246 Ų246161.6 Ų161.693%0.92881%0.814SS**  trans-130.4101158.8-78.4-169.2169.9177.5-1.9111.6T219T219-R221 PolarHBondContact O-N 2.95Å
222K52.9Low51.4Low173 Ų173164.8 Ų164.875%0.75282%0.817SS**  trans-54153.6161.7-100173.6175.4170.90112.1
223R47.9Very low51.5Low241 Ų241167.2 Ų167.291%0.90982%0.817SS**  trans78.8138.7159.4-60.3158.8-177.5-164.71.8114.5
224G48.9Very low51.3Low70 Ų70164.8 Ų164.872%0.72281%0.813SS**  cis-173.1155.97.900000110
225R45.8Very low51.1Low261 Ų261169.9 Ų169.999%0.98582%0.815SS**  trans-59.2130170.9-64.7173.4170.8-178-4109.4
226S52.3Low51.2Low108 Ų108168.8 Ų168.876%0.75581%0.806SS**  trans-142.4125.3156.476.70000111.4
227S47.7Very low51Low108 Ų108175 Ų17576%0.75581%0.814SS**  trans-70.9119.6174.249.20000110.8K229S227-K229 PolarHBondContact O-N 3.22Å
228N54Low51.1Low171 Ų171175.7 Ų175.791%0.91481%0.809SS**  trans-92.391.2166.8-96-16.5000110.6
229K51.9Low51.1Low186 Ų186172.4 Ų172.481%0.80981%0.808SS**  trans-103.3138.8161-165.1175.8-168.6173.60105.9S227S227-K229 PolarHBondContact O-N 3.22Å
230R53.3Low51.1Low200 Ų200172.6 Ų172.676%0.75581%0.809SS**  trans108.4143.6177-70.4176.3155.3176.8-1.1112.4
231R54.3Low51.4Low174 Ų174170.3 Ų170.366%0.65781%0.808SS**  cis-165.4141.59.5-126.9162.7171.3169.5-7.2107.5
232K47.3Very low51.1Low207 Ų207165.2 Ų165.290%0.980%0.804SS**  trans-62.7136154.1-62.7178.5175-1780109.1
233K56.8Low51.2Low173 Ų173164.7 Ų164.775%0.75281%0.81SS**  trans-161.2100.8159.7-98.9-174.7174.7-173.20106.1
234S51.6Low51.1Low106 Ų106160.7 Ų160.774%0.74180%0.802SS**  63.9110.782.474.70000113.3
235E45.2Very low51.2Low187 Ų187165.5 Ų165.587%0.87481%0.805SS**  trans-26.2135.2165.2-61166.7169.500116.5
236H54.9Low51.5Low155 Ų155158 Ų15872%0.71879%0.789SS**  trans-152.2113.8149.5-134.549.5000111.1
237K46.4Very low51.4Low195 Ų195162 Ų16285%0.84879%0.792SS**  trans-66.4133.4165.6-62.2173.7177.4178.50108.7
238R57.1Low51.6Low206 Ų206161.9 Ų161.978%0.77779%0.792SS**  trans-147.7127.5152-68.9-164.1-175.6-177.41.9110.8
239D46.5Very low51.6Low158 Ų158163.2 Ų163.285%0.84579%0.789SS**  trans-62.5146.7170.8-50.1-72.7000111.5
240V58.1Low51.4Low136 Ų136158.8 Ų158.882%0.82479%0.787SS**  trans-141.1140.5165.41780000108.9
241P55.4Low51.4Low116 Ų116156.8 Ų156.875%0.75380%0.797SS**  trans-100.8168.5-148.538-31.8000115
242T44.2Very low51.3Low138 Ų138152 Ų15285%0.84780%0.802SS**  trans-51.5138.6168.539.80000114.2
243N55.3Low51.2Low162 Ų162154.7 Ų154.787%0.86681%0.807SS**  trans-133142.7152.7-156.61.6000111.3
244Q46.4Very low50.8Low158 Ų158149.5 Ų149.574%0.73880%0.802SS**  trans-92.9176.2-164.6-61.2178.1-1.100112.5
245Q51.5Low51Low170 Ų170156.3 Ų156.379%0.79481%0.812SS**  trans90128.9161.7-58.6-179.60.300115
246T51.4Low51.5Low105 Ų105157.3 Ų157.364%0.64481%0.813SS**  cis-164141.511.822.10000110.4
247K49.4Very low51.3Low191 Ų191156 Ų15683%0.8382%0.816SS**  trans44111.3135.7-54.4174.9-177.3177.70118.6
248S53.1Low51.7Low106 Ų106152.2 Ų152.274%0.74181%0.809SS**  168136.794.748.90000114.3
249K54.5Low51.6Low198 Ų198151.1 Ų151.186%0.86181%0.813SS**  trans54.7100.7143.7-62.2176.6179.6-179.60117.9
250A47Very low51.9Low93 Ų93153.2 Ų153.277%0.76982%0.815SS**  97.1140.477.100000112.4
251V54Low51.6Low158 Ų158156.8 Ų156.896%0.95881%0.813SS**  trans85.1113173.6-161.50000115.7
252G50.6Low51.6Low74 Ų74160.2 Ų160.276%0.76381%0.811SS**  trans139.233.9173.300000116.2G254G252-G254 PolarHBondContact O-N 3.32Å
253R45.9Very low52Low264 Ų264156.1 Ų156.1100%0.99680%0.796SS**  trans-79.7113.6172.4-73.4-173.4175.7-164-0110
254G48.1Very low52Low64 Ų64156.6 Ų156.666%0.6679%0.79SS**  trans155.7131.6162.200000113.3G252G252-G254 PolarHBondContact O-N 3.32Å
255R55.4Low52.4Low249 Ų249155.7 Ų155.794%0.9479%0.786SS**  trans82.361.9166.5-51.5177.8173.4-171.6-2118.4
256K55.7Low52.7Low207 Ų207155 Ų15590%0.978%0.781SS**  trans-138.57.9158.6-74.4-164.7179175.40117.6
257T52.1Low53.1Low128 Ų128157.8 Ų157.879%0.78578%0.784SS**SBendtrans-107.12.7-173.141.60000117.1
258V53.5Low53.5Low115 Ų115155 Ų15570%0.69777%0.774SS**SBendtrans-98.8-16.4-175.6-176.90000114.6
259Q55.2Low53.8Low184 Ų184152.8 Ų152.886%0.8676%0.758SS**THydrogen-bonded Turntrans-84.2-16.1-177.9-92.5175.5-2300115.2
260K52.8Low54.1Low202 Ų202147.7 Ų147.788%0.87874%0.74SS**THydrogen-bonded Turntrans-84.1-10.5-176.1-121.4176.4-178.2177.70114.8
261R53.1Low54.7Low211 Ų211148.6 Ų148.680%0.79673%0.731SS**THydrogen-bonded Turntrans-94.1-22.8177-72.7-173.3170.1179.9-3.2114.3G263R261-G263 VanDerWaalsContact C-N 3.29Å; R261-G263 PolarHBondContact O-N 3.47Å
262R54.2Low55.1Low188 Ų188148.2 Ų148.271%0.70972%0.717SS**Hα-helixtrans-75.9-9.6179.4-72.4-172.4169.6-169.9-2.8115.3
263G53.7Low55.7Low52 Ų52151 Ų15154%0.53671%0.71SS.*Hα-helixtrans-84.7-22.3178.800000114.7R261R261-G263 VanDerWaalsContact C-N 3.29Å; R261-G263 PolarHBondContact O-N 3.47Å
264K55.3Low56.4Low171 Ų171144.7 Ų144.774%0.74369%0.692SS**Hα-helixtrans-86.2-38-179.1-105.6-176.9172.2-172.90112.7K266 K267K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 PolarHBondContact O-N 3.32Å; K264-K267 PolarHBondContact O-N 3.16Å
265E53.8Low57.2Low139 Ų139145.1 Ų145.165%0.6569%0.685SS**Hα-helixtrans-68.4-25.3180-68.8172174.900113.5S269E265-S269 PolarHBondContact O-N 3.24Å
266K58.1Low57.5Low156 Ų156137.1 Ų137.168%0.67866%0.664SS**Hα-helixtrans-77.9-18.8176.8-78.7-171.1175-173.70114.5K264 S269 I270K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 PolarHBondContact O-N 3.32Å; K266-S269 PolarHBondContact O-OG 3.33Å; K266-I270 WeakPolarHBondContact O-CD1 3.39Å; K266-I270 WeakPolarHBondContact O-CG1 3.34Å
267K58.5Low57.7Low163 Ų163136.2 Ų136.271%0.70966%0.655SS**Hα-helixtrans-83.6-36.7174.7-85-174.3172.5-176.20111.8K264 S269 I270 D271K264-K267 PolarHBondContact O-N 3.16Å; K267-S269 PolarHBondContact O-N 3.46Å; K267-I270 PolarHBondContact O-N 3.31Å; K267-D271 PolarHBondContact O-N 3.44Å
268E58.2Low58.2Low134 Ų134138 Ų13863%0.62665%0.651SS**Hα-helixtrans-72.2-24.8178.3-74.1177.9-17900113.9K272E268-K272 PolarHBondContact O-N 3.47Å
269S60Low58.5Low58 Ų58134.9 Ų134.941%0.40664%0.638SS.*Hα-helixtrans-77.2-28176.269.20000113.6E265 K266 K267 Q273E265-S269 PolarHBondContact O-N 3.24Å; K266-S269 PolarHBondContact O-OG 3.33Å; K267-S269 PolarHBondContact O-N 3.46Å; S269-Q273 WeakPolarHBondContact O-CG 3.42Å; S269-Q273 PolarHBondContact O-N 3.47Å
270I59.8Low58.7Low92 Ų92132.8 Ų132.847%0.47263%0.628SS.*Hα-helixtrans-77.8-39.9179.7-63171.8000110.5K266 K267 K272 Q273 Q274K266-I270 WeakPolarHBondContact O-CD1 3.39Å; K266-I270 WeakPolarHBondContact O-CG1 3.34Å; K267-I270 PolarHBondContact O-N 3.31Å; I270-K272 VanDerWaalsContact C-N 3.35Å; I270-K272 PolarHBondContact O-N 3.47Å; I270-Q273 PolarHBondContact O-N 3.47Å; I270-Q274 PolarHBondContact O-N 3.28Å; I270-Q274 VanDerWaalsContact O-N 3.16Å
271D59.8Low59Low111 Ų111129.8 Ų129.859%0.59462%0.621SS**Hα-helixtrans-68-32.9176.9-76.9-18.2000112.4K267 Q274 S275K267-D271 PolarHBondContact O-N 3.44Å; D271-Q274 PolarHBondContact O-N 3.33Å; D271-S275 PolarHBondContact O-N 3.36Å
272K62.4Low59.4Low150 Ų150126.9 Ų126.965%0.65262%0.616SS**Hα-helixtrans-69.8-30.3172.4-80.6178.3177.4175.50113.6E268 I270 S275 T276E268-K272 PolarHBondContact O-N 3.47Å; I270-K272 VanDerWaalsContact C-N 3.35Å; I270-K272 PolarHBondContact O-N 3.47Å; K272-S275 PolarHBondContact O-OG 3.25Å; K272-T276 WeakPolarHBondContact O-CG2 3.47Å; K272-T276 PolarHBondContact O-OG1 3.03Å
273Q63.6Low59.6Low133 Ų133124.1 Ų124.162%0.62162%0.615SS**Hα-helixtrans-79-23.2176-74.6-176.3-800113.1S269 I270 T276S269-Q273 WeakPolarHBondContact O-CG 3.42Å; S269-Q273 PolarHBondContact O-N 3.47Å; I270-Q273 PolarHBondContact O-N 3.47Å; Q273-T276 PolarHBondContact O-OG1 3.45Å
274Q61.8Low59.7Low132 Ų132132.6 Ų132.662%0.61763%0.631SS**Hα-helixtrans-81.9-29.9175.3-69.3-167.25.500113I270 D271I270-Q274 PolarHBondContact O-N 3.28Å; I270-Q274 VanDerWaalsContact O-N 3.16Å; D271-Q274 PolarHBondContact O-N 3.33Å
275S63.8Low59.9Low73 Ų73132.9 Ų132.951%0.5163%0.632SS.*Hα-helixtrans-73.1-35.3176.364.60000113D271 K272 K278 A279D271-S275 PolarHBondContact O-N 3.36Å; K272-S275 PolarHBondContact O-OG 3.25Å; S275-K278 PolarHBondContact O-N 3.15Å; S275-A279 PolarHBondContact O-N 3.35Å
276T63Low60.1Low81 Ų81136.6 Ų136.650%0.49764%0.642SS.*Hα-helixtrans-70.9-38.2178.7550000113.1K272 Q273 K278 A279 E280K272-T276 WeakPolarHBondContact O-CG2 3.47Å; K272-T276 PolarHBondContact O-OG1 3.03Å; Q273-T276 PolarHBondContact O-OG1 3.45Å; T276-K278 PolarHBondContact O-N 3.49Å; T276-A279 PolarHBondContact O-N 3.24Å; T276-E280 PolarHBondContact O-N 3.08Å; T276-E280 VanDerWaalsContact O-N 3.08Å
277R59.8Low59.7Low188 Ų188132.4 Ų132.471%0.70964%0.644SS**Hα-helixtrans-66.8-24.4175.1-78.5-176.4172.2176.80.3113.8
278K61.8Low59.5Low165 Ų165132.8 Ų132.872%0.71765%0.653SS**Hα-helixtrans-80.5-27.3177.1-146.6176.3-175.6-177.90112S275 T276S275-K278 PolarHBondContact O-N 3.15Å; T276-K278 PolarHBondContact O-N 3.49Å
279A58.9Low59Low50 Ų50131.2 Ų131.241%0.41366%0.657SS.*Hα-helixtrans-76.2-43172.300000112.3S275 T276 L281 Q282 D283S275-A279 PolarHBondContact O-N 3.35Å; T276-A279 PolarHBondContact O-N 3.24Å; A279-L281 PolarHBondContact O-N 3.32Å; A279-L281 VanDerWaalsContact O-N 3.15Å; A279-Q282 PolarHBondContact O-N 3.38Å; A279-D283 PolarHBondContact O-N 3.44Å
280E60.8Low58.6Low140 Ų140136.2 Ų136.265%0.65468%0.679SS**Hα-helixtrans-63.8-22.3179.2-78.4-176.6152.900114.5T276T276-E280 PolarHBondContact O-N 3.08Å; T276-E280 VanDerWaalsContact O-N 3.08Å
281L59.3Low58Low138 Ų138135.7 Ų135.772%0.72370%0.696SS**Hα-helixtrans-83.1-14.5175.9-83.6166.1000113.7A279A279-L281 PolarHBondContact O-N 3.32Å; A279-L281 VanDerWaalsContact O-N 3.15Å
282Q60Low57.3Low150 Ų150133.5 Ų133.570%0.70170%0.701SS**Hα-helixtrans-88.7-31.8174.9-72.7-171.9-23.800112.1A279 R284A279-Q282 PolarHBondContact O-N 3.38Å; Q282-R284 PolarHBondContact O-N 3.23Å
283D59.3Low57Low130 Ų130135.5 Ų135.570%0.69571%0.709SS**Hα-helixtrans-79.9-17.3-178-65.4-23.2000114A279 K285A279-D283 PolarHBondContact O-N 3.44Å; D283-K285 PolarHBondContact O-N 3.19Å
284R55.9Low56.6Low230 Ų230136.1 Ų136.187%0.86872%0.717SS**THydrogen-bonded Turntrans-76.3-0.8176.3-108.7-178.3177.2-1740.4115.1Q282Q282-R284 PolarHBondContact O-N 3.23Å
285K59.8Low56.2Low177 Ų177137.4 Ų137.477%0.7773%0.725SS**THydrogen-bonded Turntrans-97-4.9-179.4-103.6-172.3177.5-1730115.4D283D283-K285 PolarHBondContact O-N 3.19Å
286Y58.7Low55.7Low217 Ų217143 Ų14385%0.85174%0.74SS**SBendtrans-144.582.8180-69-84.3000110.7
287G49.6Very low55.3Low69 Ų69147.9 Ų147.971%0.71176%0.762SS**  trans166.871.5175.900000114.7
288N52.5Low54.8Low171 Ų171142.7 Ų142.791%0.91476%0.759SS**  trans-156.569.7147.7-130.511.9000110.4
289S47.8Very low54.2Low100 Ų100142.4 Ų142.470%0.69977%0.765SS**  trans-91109.9157.450.30000107.5
290N52.2Low53.9Low163 Ų163145.5 Ų145.587%0.87278%0.784SS**  trans174.5131.9136.4-89.8-19.4000111.8
291G47.2Very low53.5Low81 Ų81148.6 Ų148.684%0.83580%0.795SS**  trans97.879.9136.900000117.7
292G46.3Very low53.3Low66 Ų66151.7 Ų151.768%0.6880%0.803SS**  103.5108.4115.500000118.9
293K56Low53.1Low191 Ų191156.3 Ų156.383%0.8381%0.814SS**  65.295.7129.4-59.5174.8-174.7177.50116.9
294N55.2Low52.7Low146 Ų146161.6 Ų161.678%0.78182%0.824SS**  169137.191.3-86.6-29.9000114.8
295M53.3Low52.6Low160 Ų160159 Ų15979%0.78883%0.826SS**  trans76.692.3145.8-70.2-175.661.600121.3
296K53.2Low52.5Low191 Ų191159.7 Ų159.783%0.8383%0.829SS**  44.696.6112.7-66.8178.5178.4175.80116.9
297L53.1Low52.2Low182 Ų182157.1 Ų157.195%0.95383%0.83SS**  -146.9102.8127.5-83.2-176.6000108.9
298A50.1Low52.2Low80 Ų80158.8 Ų158.866%0.66184%0.837SS**  trans-80.2154.5172.300000110.7
299N48.7Very low52.2Low158 Ų158159.8 Ų159.885%0.84583%0.833SS**  trans97.3128.2157.1-51.7-28.1000117.6
300S52.5Low52.6Low115 Ų115161.6 Ų161.680%0.80484%0.84SS**  trans94.484.4159.3-158.10000117.8
301K53.2Low52.3Low205 Ų205159.1 Ų159.189%0.89184%0.836SS**  -175.666.4126.1-98166-173.3177.90111.3
302K55.5Low52.3Low204 Ų204164 Ų16489%0.88784%0.841SS**  trans-94.2106.2148.7-90179.7176.1175.40106.2
303R55.4Low52.5Low247 Ų247167 Ų16793%0.93285%0.846SS**  trans176.1135.2156.7-98.2158.4-170.2-152.23.2109.1
304R49.9Very low52.3Low241 Ų241164.4 Ų164.491%0.90985%0.847SS**  trans90.163.6170.6-61.4-177.2153.1-172.9-6.4118.4
305I54.9Low51.9Low175 Ų175169.6 Ų169.690%0.89786%0.856SS**  trans-135.880.1137.5-53178.1000107
306K56.3Low52.1Low192 Ų192170.1 Ų170.184%0.83585%0.854SS**  trans-147.6138.6161.4-68-168.6179.8-176.60105.5
307N54.1Low52Low163 Ų163168.8 Ų168.887%0.87285%0.85SS**  trans103.673.4176.9-47.8-6000115.1
308A49.6Very low52.1Low103 Ų103172.4 Ų172.485%0.85185%0.851SS**  trans-157.756.1150.200000109.1
309K52Low51.9Low192 Ų192171.9 Ų171.984%0.83585%0.854SS**SBendtrans-145.3137.6164.9-85.9-175.6175.4179.40105.1
310T55.4Low52.3Low139 Ų139173.9 Ų173.985%0.85386%0.855SS**  trans88.195.2179.975.30000117.2
311S46.5Very low52.2Low111 Ų111173.5 Ų173.578%0.77685%0.852SS**  trans170.491.7135.2420000109.5
312L46.3Very low51.9Low183 Ų183170.7 Ų170.796%0.95884%0.844SS**  trans-171.967.6153.5-101.6142.2000107.4
313T51.3Low51.6Low128 Ų128171.2 Ų171.279%0.78584%0.84SS**  trans-117.4145.2158470000106.9
314T50.9Low51.3Low137 Ų137163.1 Ų163.184%0.8483%0.827SS**  trans80.687.2176.274.50000117.1
315R48.7Very low51.4Low255 Ų255157.1 Ų157.196%0.96282%0.817SS**  trans-128.590.3138.5-161.9170.9-175.6176.60108.1
316K57.4Low51.1Low172 Ų172155.3 Ų155.375%0.74881%0.809SS**  trans-81.7132.1177.6-163.5174.6-178.1-179.40108.1
317E51.3Low50.9Low163 Ų163154.5 Ų154.576%0.76281%0.808SS**  trans36114.5148.6-60.2176.8153.200119.2
318R53.3Low50.9Low257 Ų257153.9 Ų153.997%0.9781%0.805SS**  trans-168.5130.8146.3-109.9170.7-176-172.50.9111.6
319G47Very low51.3Low70 Ų70153.4 Ų153.472%0.72280%0.801SS**  trans8991.6168.900000112.6
320K56.1Low51.5Low200 Ų200151 Ų15187%0.8780%0.797SS**  50.4110.551.3-83-171.1-179.3-176.20113.8
321S51.2Low51.5Low106 Ų106150 Ų15074%0.74179%0.787SS**  trans80.2142.2135.366.80000120
322M47.8Very low52.1Low147 Ų147153 Ų15372%0.72479%0.786SS**  trans89.9135.6161.1-51.2-146.661.900114.9
323R47.5Very low52.6Low214 Ų214149.1 Ų149.181%0.80877%0.774SS**  cis-176.5140.8-8.5-173.3-175.4-141.9178.2-8.5103.7
324A49.2Very low52.7Low78 Ų78152.6 Ų152.665%0.64578%0.778SS**  trans-4.2150.6135.700000116.2
325T52.6Low52.9Low114 Ų114155.2 Ų155.270%0.69978%0.78SS**  cis-168-164.16.426.40000104
326D48.2Very low53.1Low137 Ų137148.8 Ų148.873%0.73378%0.775SS**  trans97100.9158.4-42.6-15.4000112.3
327E53.5Low53.1Low175 Ų175144.1 Ų144.182%0.81878%0.776SS**  59.2120.766.8-67.8-171.2165.400113.6
328D53.2Low53.5Low150 Ų150146 Ų14680%0.80278%0.781SS**  trans80.1154.7147.2-60.7-19000122.7
329A57.4Low53.6Low94 Ų94143.2 Ų143.278%0.77778%0.777SS**  trans81.694.8171.100000115.6
330N57Low54.1Low141 Ų141148.4 Ų148.475%0.75478%0.782SS**  66.4128.765.7-154.521000113
331D55.8Low54Low119 Ų119148.7 Ų148.764%0.63678%0.783SS**  trans73.5110.3144-116.8-2.6000119.4
332K58.3Low54.3Low174 Ų174148.4 Ų148.476%0.75779%0.788SS**  159.1143.1104.2-88.2155.6-174.4174.50115.2
333S56.4Low54.6Low100 Ų100150.3 Ų150.370%0.69980%0.795SS**  trans59.5109.9144.268.70000118.4
334K54.1Low54.9Low201 Ų201143.9 Ų143.987%0.87480%0.795SS**  52.298.284.3-67-171.8-178.9178.60113.1
335H54.8Low55.6Low192 Ų192145.8 Ų145.889%0.88980%0.803SS**  trans-141.3105.8145.4-103.2-54.6000110.5
336S53.2Low56Low120 Ų120150 Ų15084%0.83981%0.812SS**  trans-70.7134.2155.650.60000109.2
337G57.1Low57Low75 Ų75149.4 Ų149.477%0.77382%0.816SS**  trans-152.2104.6173.900000110.8
338K59.3Low57.4Low203 Ų203146 Ų14688%0.88381%0.811SS**  trans-57.4137.9166.5-74166.9169.7173.90110.3
339F55.3Low57.4Low198 Ų198149.2 Ų149.287%0.86882%0.818SS**  trans-149.696.4152-106.5-84.1000105.9
340E59.2Low57.6Low179 Ų179149.3 Ų149.384%0.83681%0.813SS**  59.512589.8-99.2-174.8176.200115.4
341K52.8Low57.4Low205 Ų205148.1 Ų148.189%0.89182%0.816SS**  trans-65.3138.8-177.9-66.5167.4174.2174.10110.3
342A57.6Low57.4Low101 Ų101154 Ų15484%0.83583%0.829SS**  trans-128.6111.615800000108.9
343E54Low57.2Low186 Ų186155.7 Ų155.787%0.86983%0.83SS**  trans-69.7153.4164.9-61.3-176.115800110.2
344G54.6Low57Low79 Ų79156.3 Ų156.381%0.81484%0.835SS**  trans80.2103.7149.500000117.3
345S62.7Low57.3Low118 Ų118155.3 Ų155.383%0.82583%0.831SS**  trans-164112.2135.5-171.60000110.5
346K60.5Low57.2Low202 Ų202157.1 Ų157.188%0.87883%0.83SS**PPolyproline II helixtrans-84.8125.6165.9-70.1176.1179.3169.60108
347P69.3Low57.3Low125 Ų125161.1 Ų161.181%0.81283%0.832SS**PPolyproline II helixtrans-80.3130.5166.528.5-28.9000111.1
348S63.8Low57.3Low103 Ų103169.1 Ų169.172%0.7284%0.839SS**PPolyproline II helixtrans-56.4142.8178.553.30000114.9S350S348-S350 PolarHBondContact O-N 3.43Å
349K52.6Low57Low219 Ų219170.2 Ų170.295%0.95284%0.837SS**  trans-69.2114.9158.9-67.4177178.6175.80109
350S60.3Low57Low96 Ų96170.4 Ų170.467%0.67183%0.833SS**  trans-142.3106.4164.764.20000111.1S348S348-S350 PolarHBondContact O-N 3.43Å
351S54.1Low56.9Low115 Ų115170.7 Ų170.780%0.80483%0.831SS**  32.899.4126.3161.40000116.7
352R55.7Low57.3Low242 Ų242171.8 Ų171.891%0.91383%0.83SS**  trans-141.594.1144.5-98.6176.3-178.7171.60107.9
353R54.4Low57.5Low210 Ų210171.7 Ų171.779%0.79282%0.823SS**  80.78787.8-163.3174.3-164.5-179.66.1111.7K355R353-K355 PolarHBondContact O-N 3.45Å
354S51.2Low57.8Low114 Ų114178.2 Ų178.280%0.79784%0.84SS**  trans-10.7118.3140166.50000114.4
355K61.4Low58Low180 Ų180183.2 Ų183.278%0.78384%0.841SS**  trans-138103.1151.4-82-171.7179.7173.60110.4R353R353-K355 PolarHBondContact O-N 3.45Å
356R52.7Low57.7Low229 Ų229186.6 Ų186.686%0.86484%0.842SS**  61.3100.9128.3-77178.4161.9174.4-5118.7
357K55.2Low57.6Low205 Ų205185.8 Ų185.889%0.89184%0.84SS**  -1.9115.7119.9-72.9177.4173.9176.60115.6
358R55.7Low56.9Low242 Ų242189.4 Ų189.491%0.91384%0.842SS**  trans-149100.9134-74.4-165.6168.3-178.2-5.4106.2
359R54.2Low56.4Low226 Ų226194.8 Ų194.885%0.85385%0.849SS**  63.6111.286.1-150.2-177.1-164.1-169.14.5109.2
360W55.8Low56.7Low203 Ų203193.1 Ų193.177%0.76984%0.842SS**  173.8100.6113.9-96.465.7000109.5
361F56Low56.4Low185 Ų185200.1 Ų200.181%0.81186%0.855SS**  trans-56.2141.1152.5-106.5-103.7000109.6
362R60.9Low56.6Low228 Ų228206.6 Ų206.686%0.8686%0.858SS**  trans-148.796.9145.9-111-178.3176.6-165.4-2.3108.2
363S62Low56.7Low99 Ų99203.7 Ų203.769%0.69285%0.854SS**  trans-78.6126.5158.7-65.40000108.8
364R61Low56.9Low323 Ų323203.1 Ų203.1100%1.21986%0.859SS**  -174.70123-108.7-174.8-179.3-169.30.6108.8

Retrieved 364 of 364 residues in 63.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).