A0A077ZK09_TRITR Loading...

Cytoskeleton assembly control protein Sla1

AlphaFold DB , UniProt , Accession A0A077ZK09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M65.3Low91Very high199 Ų19982.3 Ų82.398%0.9840%0.402SS*.  0119.80-74.6-72.2178.500107.5
2H81.8Confident91.5Very high178 Ų17875.4 Ų75.482%0.82437%0.368SS*.PPolyproline II helixtrans-88.7122.7177.3-72.3-79.6000109.3
3Y89.6Confident92Very high90 Ų9077.8 Ų77.835%0.35338%0.378SS..PPolyproline II helixtrans-71.6132.2171.9-89.1-130.3000109.1D7 W8 P36Y3-D7 HydrophobicContact CD1-CB 3.43Å; Y3-D7 VanDerWaalsContact CD1-CB 3.43Å; Y3-D7 HydrophobicContact CE1-CB 4.04Å; Y3-D7 HydrophobicContact CG-CB 3.97Å; Y3-W8 HydrophobicContact CD1-CD2 4.32Å; Y3-W8 HydrophobicContact CD1-CH2 4.4Å; Y3-W8 HydrophobicContact CD1-CZ2 4.21Å; Y3-W8 HydrophobicContact CG-CZ2 4.12Å; Y3-P36 HydrophobicContact CD2-CB 4.17Å; Y3-P36 HydrophobicContact CD2-CG 3.7Å; Y3-P36 HydrophobicContact CE2-CB 3.71Å; Y3-P36 HydrophobicContact CE2-CG 3.59Å
4S93.3Very high92.3Very high56 Ų5683.1 Ų83.139%0.39240%0.398SS..PPolyproline II helixtrans-73.5164.217070.20000110.6H6 D7 W8S4-H6 PolarHBondContact O-N 3.47Å; S4-H6 PolarHBondContact OG-N 3.09Å; S4-D7 WeakPolarHBondContact CB-OD2 3.49Å; S4-D7 PolarHBondContact N-OD2 3.34Å; S4-D7 PolarHBondContact O-N 3.41Å; S4-D7 VanDerWaalsContact O-N 3.12Å; S4-D7 PolarHBondContact OG-N 3.11Å; S4-D7 PolarHBondContact OG-OD2 2.94Å; S4-W8 VanDerWaalsContact O-CD1 3.26Å; S4-W8 PolarHBondContact O-N 3.27Å
5E93.9Very high92.6Very high72 Ų7278.3 Ų78.334%0.33638%0.378SS..Hα-helixtrans-53.5-36.5172-171-170.7153.100111.2W8 I9 R23 A26 T30E5-W8 PolarHBondContact O-N 2.9Å; E5-I9 HydrophobicContact CG-CD1 4.36Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 3.35Å; E5-R23 IonicContact OE1-NE 3.81Å; E5-A26 HydrophobicContact CG-CB 3.85Å; E5-A26 WeakPolarHBondContact O-CB 3.45Å; E5-T30 HydrophobicContact CB-CG2 4.28Å
6H95.5Very high92.8Very high123 Ų12376.8 Ų76.857%0.56939%0.389SS*.Hα-helixtrans-67.5-37.8-180-157.167000112.7S4 W8 I9 L10S4-H6 PolarHBondContact O-N 3.47Å; S4-H6 PolarHBondContact OG-N 3.09Å; H6-W8 VanDerWaalsContact C-N 3.29Å; H6-W8 PolarHBondContact O-N 3.39Å; H6-I9 PolarHBondContact O-N 3.32Å; H6-L10 WeakPolarHBondContact O-CG 3.5Å; H6-L10 PolarHBondContact O-N 2.93Å
7D95.5Very high93.1Very high65 Ų6572.8 Ų72.835%0.34837%0.369SS..Hα-helixtrans-64.6-37.7176.9-57.7-48.1000111.2Y3 S4 L10 F11Y3-D7 HydrophobicContact CD1-CB 3.43Å; Y3-D7 VanDerWaalsContact CD1-CB 3.43Å; Y3-D7 HydrophobicContact CE1-CB 4.04Å; Y3-D7 HydrophobicContact CG-CB 3.97Å; S4-D7 WeakPolarHBondContact CB-OD2 3.49Å; S4-D7 PolarHBondContact N-OD2 3.34Å; S4-D7 PolarHBondContact O-N 3.41Å; S4-D7 VanDerWaalsContact O-N 3.12Å; S4-D7 PolarHBondContact OG-N 3.11Å; S4-D7 PolarHBondContact OG-OD2 2.94Å; D7-L10 PolarHBondContact O-N 3.15Å; D7-F11 WeakPolarHBondContact O-CB 3.4Å; D7-F11 PolarHBondContact O-N 3.42Å
8W96.3Very high93.3Very high4 Ų472.6 Ų72.62%0.01538%0.375CS..Hα-helixtrans-67.1-40.3173.8-70.9117.7000112.6Y3 S4 E5 H6 L10 F11 F12 A26 F29 I34 L39Y3-W8 HydrophobicContact CD1-CD2 4.32Å; Y3-W8 HydrophobicContact CD1-CH2 4.4Å; Y3-W8 HydrophobicContact CD1-CZ2 4.21Å; Y3-W8 HydrophobicContact CG-CZ2 4.12Å; S4-W8 VanDerWaalsContact O-CD1 3.26Å; S4-W8 PolarHBondContact O-N 3.27Å; E5-W8 PolarHBondContact O-N 2.9Å; H6-W8 VanDerWaalsContact C-N 3.29Å; H6-W8 PolarHBondContact O-N 3.39Å; W8-L10 VanDerWaalsContact C-N 3.31Å; W8-L10 PolarHBondContact O-N 2.99Å; W8-F11 HydrophobicContact CE3-CB 4.38Å; W8-F11 HydrophobicContact CE3-CD1 4.26Å; W8-F11 HydrophobicContact CE3-CG 4.37Å; W8-F11 HydrophobicContact CZ3-CD1 4.4Å; W8-F11 HydrophobicContact CZ3-CG 4.49Å; W8-F11 WeakPolarHBondContact O-CB 3.41Å; W8-F11 PolarHBondContact O-N 3.24Å; W8-F12 HydrophobicContact CB-CD2 4.44Å; W8-F12 HydrophobicContact CB-CE2 4.03Å; W8-F12 WeakPolarHBondContact O-CD2 3.33Å; W8-F12 WeakPolarHBondContact O-CG 3.43Å; W8-F12 PolarHBondContact O-N 3.07Å; W8-A26 HydrophobicContact CB-CB 3.59Å; W8-F29 HydrophobicContact CD2-CB 4.16Å; W8-F29 AromaticContact CD2-CD1 3.93Å; W8-F29 HydrophobicContact CD2-CD1 3.93Å; W8-F29 HydrophobicContact CD2-CG 4.47Å; W8-F29 AromaticContact CE3-CD1 3.63Å; W8-F29 HydrophobicContact CE3-CD1 3.63Å; W8-F29 HydrophobicContact CE3-CE1 4.21Å; W8-F29 HydrophobicContact CE3-CG 4.48Å; W8-F29 HydrophobicContact CG-CB 4.26Å; W8-F29 AromaticContact CH2-CD1 3.97Å; W8-F29 HydrophobicContact CH2-CD1 3.97Å; W8-F29 HydrophobicContact CH2-CE1 4.44Å; W8-F29 HydrophobicContact CZ2-CD1 4.24Å; W8-F29 AromaticContact CZ3-CD1 3.65Å; W8-F29 HydrophobicContact CZ3-CD1 3.65Å; W8-F29 AromaticContact CZ3-CE1 3.96Å; W8-F29 HydrophobicContact CZ3-CE1 3.96Å; W8-I34 HydrophobicContact CH2-CG2 4.11Å; W8-I34 HydrophobicContact CZ2-CG2 4.31Å; W8-I34 WeakPolarHBondContact CZ2-O 3.34Å; W8-L39 HydrophobicContact CH2-CD1 3.92Å; W8-L39 HydrophobicContact CZ3-CD1 3.78Å
9I97.3Very high93.3Very high36 Ų3674.4 Ų74.419%0.18539%0.39CS..Hα-helixtrans-58.7-46.5175.6-68.3167.5000110.2E5 H6 F11 F12 E13 C22 R23 A26E5-I9 HydrophobicContact CG-CD1 4.36Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 3.35Å; H6-I9 PolarHBondContact O-N 3.32Å; I9-F11 VanDerWaalsContact C-N 3.33Å; I9-F11 PolarHBondContact O-N 3.31Å; I9-F12 PolarHBondContact O-N 3.27Å; I9-E13 WeakPolarHBondContact O-CB 3.42Å; I9-E13 PolarHBondContact O-N 3.32Å; I9-C22 HydrophobicContact CG2-CB 4.11Å; I9-R23 HydrophobicContact CD1-CG 4.45Å; I9-A26 HydrophobicContact CD1-CB 4.48Å; I9-A26 HydrophobicContact CG1-CB 3.64Å
10L96.5Very high93.4Very high67 Ų6773.4 Ų73.435%0.35140%0.399SS..Hα-helixtrans-63.7-37.7177.2-69.1173.3000112.2H6 D7 W8 K14H6-L10 WeakPolarHBondContact O-CG 3.5Å; H6-L10 PolarHBondContact O-N 2.93Å; D7-L10 PolarHBondContact O-N 3.15Å; W8-L10 VanDerWaalsContact C-N 3.31Å; W8-L10 PolarHBondContact O-N 2.99Å; L10-K14 WeakPolarHBondContact O-CB 3.24Å; L10-K14 VanDerWaalsContact O-CG 3.24Å; L10-K14 WeakPolarHBondContact O-CG 3.47Å; L10-K14 PolarHBondContact O-N 3.2Å
11F96Very high93.5Very high15 Ų1572.4 Ų72.47%0.06639%0.393CS..Hα-helixtrans-61.1-46.1173.9176.4-91.2000111.6D7 W8 I9 K14 A15 L39 I61 H64 R65 V68D7-F11 WeakPolarHBondContact O-CB 3.4Å; D7-F11 PolarHBondContact O-N 3.42Å; W8-F11 HydrophobicContact CE3-CB 4.38Å; W8-F11 HydrophobicContact CE3-CD1 4.26Å; W8-F11 HydrophobicContact CE3-CG 4.37Å; W8-F11 HydrophobicContact CZ3-CD1 4.4Å; W8-F11 HydrophobicContact CZ3-CG 4.49Å; W8-F11 WeakPolarHBondContact O-CB 3.41Å; W8-F11 PolarHBondContact O-N 3.24Å; I9-F11 VanDerWaalsContact C-N 3.33Å; I9-F11 PolarHBondContact O-N 3.31Å; F11-K14 PolarHBondContact O-N 3.2Å; F11-A15 PolarHBondContact O-N 3.4Å; F11-L39 HydrophobicContact CE2-CD2 3.74Å; F11-L39 HydrophobicContact CZ-CD1 4.27Å; F11-L39 HydrophobicContact CZ-CD2 3.9Å; F11-I61 HydrophobicContact CE1-CG2 4.26Å; F11-H64 AromaticContact CD2-CD2 3.58Å; F11-H64 AromaticContact CD2-NE2 3.87Å; F11-H64 AromaticContact CE2-CD2 3.37Å; F11-H64 WeakPolarHBondContact CE2-CD2 3.45Å; F11-H64 AromaticContact CE2-NE2 3.99Å; F11-H64 AromaticContact CZ-CD2 3.7Å; F11-H64 PolarHBondContact O-CD2 3.25Å; F11-R65 HydrophobicContact CZ-CB 4.46Å; F11-V68 HydrophobicContact CE2-CG2 4.31Å
12F97.4Very high95Very high0 Ų063 Ų630%035%0.346CS..Hα-helixtrans-70.8-35.4179.5-66.4-50.3000113.3W8 I9 A15 G16 I17 C22 A26 F29 I61W8-F12 HydrophobicContact CB-CD2 4.44Å; W8-F12 HydrophobicContact CB-CE2 4.03Å; W8-F12 WeakPolarHBondContact O-CD2 3.33Å; W8-F12 WeakPolarHBondContact O-CG 3.43Å; W8-F12 PolarHBondContact O-N 3.07Å; I9-F12 PolarHBondContact O-N 3.27Å; F12-A15 WeakPolarHBondContact O-CB 3.43Å; F12-A15 PolarHBondContact O-N 3.46Å; F12-G16 PolarHBondContact O-N 3.41Å; F12-I17 HydrophobicContact CB-CB 4.33Å; F12-I17 HydrophobicContact CB-CD1 4Å; F12-I17 HydrophobicContact CD1-CD1 3.59Å; F12-I17 HydrophobicContact CE1-CD1 4.48Å; F12-I17 HydrophobicContact CG-CD1 4.1Å; F12-I17 WeakPolarHBondContact O-CB 3.46Å; F12-I17 PolarHBondContact O-N 3.48Å; F12-C22 HydrophobicContact CB-CB 3.96Å; F12-A26 HydrophobicContact CD2-CB 4.49Å; F12-A26 HydrophobicContact CE2-CB 4.34Å; F12-F29 HydrophobicContact CE1-CE1 4.36Å; F12-F29 HydrophobicContact CE1-CE2 4.34Å; F12-F29 HydrophobicContact CE1-CZ 4.12Å; F12-F29 HydrophobicContact CE2-CD2 4.5Å; F12-F29 HydrophobicContact CE2-CG 4.42Å; F12-F29 AromaticContact CZ-CD1 3.91Å; F12-F29 HydrophobicContact CZ-CD1 3.91Å; F12-F29 AromaticContact CZ-CD2 3.78Å; F12-F29 HydrophobicContact CZ-CD2 3.78Å; F12-F29 AromaticContact CZ-CE1 3.87Å; F12-F29 HydrophobicContact CZ-CE1 3.87Å; F12-F29 AromaticContact CZ-CE2 3.77Å; F12-F29 HydrophobicContact CZ-CE2 3.77Å; F12-F29 AromaticContact CZ-CG 3.87Å; F12-F29 HydrophobicContact CZ-CG 3.87Å; F12-F29 AromaticContact CZ-CZ 3.8Å; F12-F29 HydrophobicContact CZ-CZ 3.8Å; F12-I61 HydrophobicContact CD1-CD1 4.13Å; F12-I61 HydrophobicContact CD1-CG1 3.98Å; F12-I61 HydrophobicContact CE1-CD1 3.73Å; F12-I61 HydrophobicContact CE1-CG1 3.88Å
13E97.2Very high95.8Very high106 Ų10661.8 Ų61.850%0.49534%0.335SS..Hα-helixtrans-63.5-44173.8-172.6173.7-165.900111.1I9 A15 G16I9-E13 WeakPolarHBondContact O-CB 3.42Å; I9-E13 PolarHBondContact O-N 3.32Å; E13-A15 VanDerWaalsContact C-N 3.26Å; E13-A15 PolarHBondContact O-N 3.39Å; E13-G16 PolarHBondContact O-N 3.07Å
14K96.6Very high96.1Very high152 Ų15266 Ų6666%0.66135%0.35SS*.Hα-helixtrans-65.8-27.1173.7-71.9173.8-177.81780113.4L10 F11 G16 H64L10-K14 WeakPolarHBondContact O-CB 3.24Å; L10-K14 VanDerWaalsContact O-CG 3.24Å; L10-K14 WeakPolarHBondContact O-CG 3.47Å; L10-K14 PolarHBondContact O-N 3.2Å; F11-K14 PolarHBondContact O-N 3.2Å; K14-G16 PolarHBondContact O-N 3.09Å; K14-H64 WeakPolarHBondContact CB-NE2 3.41Å
15A96.4Very high96.3Very high11 Ų1164.1 Ų64.19%0.09133%0.334CS..THydrogen-bonded Turntrans-73.2-13.2172.500000113.1F11 F12 E13 I17 H64F11-A15 PolarHBondContact O-N 3.4Å; F12-A15 WeakPolarHBondContact O-CB 3.43Å; F12-A15 PolarHBondContact O-N 3.46Å; E13-A15 VanDerWaalsContact C-N 3.26Å; E13-A15 PolarHBondContact O-N 3.39Å; A15-I17 HydrophobicContact CB-CG1 4.38Å; A15-H64 HydrophobicContact CB-CB 3.52Å
16G97Very high96.5Very high54 Ų5460.7 Ų60.756%0.55732%0.318SS*.THydrogen-bonded Turntrans89.319.6-178.700000114.3F12 E13 K14F12-G16 PolarHBondContact O-N 3.41Å; E13-G16 PolarHBondContact O-N 3.07Å; K14-G16 PolarHBondContact O-N 3.09Å
17I96.8Very high96.5Very high9 Ų959.2 Ų59.25%0.04631%0.312CS..  trans-79.9144.2175.8-57.3179.2000109.4F12 A15 T19 L21 C22 Y25 I61F12-I17 HydrophobicContact CB-CB 4.33Å; F12-I17 HydrophobicContact CB-CD1 4Å; F12-I17 HydrophobicContact CD1-CD1 3.59Å; F12-I17 HydrophobicContact CE1-CD1 4.48Å; F12-I17 HydrophobicContact CG-CD1 4.1Å; F12-I17 WeakPolarHBondContact O-CB 3.46Å; F12-I17 PolarHBondContact O-N 3.48Å; A15-I17 HydrophobicContact CB-CG1 4.38Å; I17-T19 PolarHBondContact O-N 3.1Å; I17-L21 HydrophobicContact CG2-CB 3.82Å; I17-C22 PolarHBondContact O-SG 3.19Å; I17-C22 VanDerWaalsContact O-SG 3.39Å; I17-Y25 HydrophobicContact CD1-CD2 3.96Å; I17-Y25 HydrophobicContact CD1-CE2 4.18Å; I17-Y25 HydrophobicContact CG2-CD2 4.04Å; I17-Y25 HydrophobicContact CG2-CE2 3.89Å; I17-I61 HydrophobicContact CD1-CD1 3.84Å; I17-I61 HydrophobicContact CD1-CG1 3.55Å
18S96.3Very high96.5Very high70 Ų7057 Ų5749%0.4930%0.302SS..  trans-58.8136.8176.370.10000111.8G20 L21 C22S18-G20 PolarHBondContact O-N 3.39Å; S18-G20 VanDerWaalsContact O-N 3.09Å; S18-L21 PolarHBondContact O-N 3.5Å; S18-L21 WeakPolarHBondContact OG-CD1 3.41Å; S18-L21 WeakPolarHBondContact OG-CG 3.44Å; S18-C22 PolarHBondContact O-N 3.45Å; S18-C22 VanDerWaalsContact O-N 3.08Å; S18-C22 PolarHBondContact O-SG 3.08Å
19T94.3Very high96.5Very high107 Ų10756.8 Ų56.866%0.65630%0.301SS*.Hα-helixtrans-54.1-34.6-175.852.60000113.7I17 L21 C22I17-T19 PolarHBondContact O-N 3.1Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 3.05Å; T19-C22 PolarHBondContact O-N 3.27Å
20G94.3Very high96.4Very high54 Ų5457.3 Ų57.356%0.55731%0.306SS*.Hα-helixtrans-67.6-26.4176.700000114.4S18S18-G20 PolarHBondContact O-N 3.39Å; S18-G20 VanDerWaalsContact O-N 3.09Å
21L96.8Very high96.3Very high52 Ų5260.3 Ų60.327%0.27232%0.322SS..Hα-helixtrans-90-30.6175.9-65.1178.7000112.1I17 S18 T19 R23 R24 Y25I17-L21 HydrophobicContact CG2-CB 3.82Å; S18-L21 PolarHBondContact O-N 3.5Å; S18-L21 WeakPolarHBondContact OG-CD1 3.41Å; S18-L21 WeakPolarHBondContact OG-CG 3.44Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 3.05Å; L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 3.42Å; L21-R24 PolarHBondContact O-N 3.41Å; L21-Y25 HydrophobicContact CB-CD2 4.34Å; L21-Y25 HydrophobicContact CB-CE2 3.95Å; L21-Y25 PolarHBondContact O-N 2.97Å
22C97.4Very high96.3Very high1 Ų164 Ų641%0.00734%0.339CS..Hα-helixtrans-51.5-44.6179.9-63.70000112.4I9 F12 I17 S18 T19 Y25 A26I9-C22 HydrophobicContact CG2-CB 4.11Å; F12-C22 HydrophobicContact CB-CB 3.96Å; I17-C22 PolarHBondContact O-SG 3.19Å; I17-C22 VanDerWaalsContact O-SG 3.39Å; S18-C22 PolarHBondContact O-N 3.45Å; S18-C22 VanDerWaalsContact O-N 3.08Å; S18-C22 PolarHBondContact O-SG 3.08Å; T19-C22 PolarHBondContact O-N 3.27Å; C22-Y25 PolarHBondContact O-N 3.44Å; C22-A26 VanDerWaalsContact O-CB 3.32Å; C22-A26 WeakPolarHBondContact O-CB 3.42Å; C22-A26 PolarHBondContact O-N 3.3Å
23R96.7Very high96.1Very high154 Ų15471.2 Ų71.258%0.58137%0.373SS*.Hα-helixtrans-62.5-46177.9-169178.8-167.31676.6112.6E5 I9 L21 Y25 A26 E27E5-R23 IonicContact OE1-NE 3.81Å; I9-R23 HydrophobicContact CD1-CG 4.45Å; L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 3.42Å; R23-Y25 VanDerWaalsContact C-N 3.31Å; R23-Y25 PolarHBondContact O-N 2.87Å; R23-A26 PolarHBondContact O-N 2.89Å; R23-E27 IonicContact NE-OE1 3.7Å; R23-E27 WeakPolarHBondContact O-CG 3.48Å; R23-E27 PolarHBondContact O-N 3.17Å
24R96.8Very high96Very high177 Ų17766.9 Ų66.967%0.66835%0.353SS*.Hα-helixtrans-63.2-39179.1-66.2-173.5176.3-165.4-0.8111.8L21 A28L21-R24 PolarHBondContact O-N 3.41Å; R24-A28 WeakPolarHBondContact O-CB 3.41Å; R24-A28 PolarHBondContact O-N 3.02Å
25Y97.7Very high95.8Very high18 Ų1861.3 Ų61.37%0.07133%0.331CS..Hα-helixtrans-72.6-35.7177.3-63-20000112.4I17 L21 C22 R23 A28 F29 I52 D57I17-Y25 HydrophobicContact CD1-CD2 3.96Å; I17-Y25 HydrophobicContact CD1-CE2 4.18Å; I17-Y25 HydrophobicContact CG2-CD2 4.04Å; I17-Y25 HydrophobicContact CG2-CE2 3.89Å; L21-Y25 HydrophobicContact CB-CD2 4.34Å; L21-Y25 HydrophobicContact CB-CE2 3.95Å; L21-Y25 PolarHBondContact O-N 2.97Å; C22-Y25 PolarHBondContact O-N 3.44Å; R23-Y25 VanDerWaalsContact C-N 3.31Å; R23-Y25 PolarHBondContact O-N 2.87Å; Y25-A28 PolarHBondContact O-N 3.21Å; Y25-F29 WeakPolarHBondContact O-CB 3.43Å; Y25-F29 WeakPolarHBondContact O-CD2 2.96Å; Y25-F29 PolarHBondContact O-N 3.46Å; Y25-I52 HydrophobicContact CD1-CD1 3.83Å; Y25-I52 HydrophobicContact CD1-CG1 3.69Å; Y25-I52 HydrophobicContact CD2-CD1 4.13Å; Y25-I52 HydrophobicContact CE1-CB 4.34Å; Y25-I52 HydrophobicContact CE1-CD1 4.26Å; Y25-I52 HydrophobicContact CE1-CG1 3.8Å; Y25-I52 HydrophobicContact CE1-CG2 4.17Å; Y25-I52 HydrophobicContact CE2-CG2 4.25Å; Y25-I52 HydrophobicContact CG-CD1 3.76Å; Y25-I52 HydrophobicContact CG-CG1 4.17Å; Y25-D57 HydrophobicContact CE2-CB 4.14Å; Y25-D57 PolarHBondContact OH-OD2 3.41Å
26A96.9Very high95.5Very high0 Ų062.2 Ų62.20%034%0.336CS..Hα-helixtrans-64.2-43.7173.100000112E5 W8 I9 F12 C22 R23 A28 F29 T30E5-A26 HydrophobicContact CG-CB 3.85Å; E5-A26 WeakPolarHBondContact O-CB 3.45Å; W8-A26 HydrophobicContact CB-CB 3.59Å; I9-A26 HydrophobicContact CD1-CB 4.48Å; I9-A26 HydrophobicContact CG1-CB 3.64Å; F12-A26 HydrophobicContact CD2-CB 4.49Å; F12-A26 HydrophobicContact CE2-CB 4.34Å; C22-A26 VanDerWaalsContact O-CB 3.32Å; C22-A26 WeakPolarHBondContact O-CB 3.42Å; C22-A26 PolarHBondContact O-N 3.3Å; R23-A26 PolarHBondContact O-N 2.89Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.12Å; A26-F29 PolarHBondContact O-N 2.9Å; A26-T30 WeakPolarHBondContact O-CB 3.34Å; A26-T30 WeakPolarHBondContact O-CG2 3.5Å; A26-T30 PolarHBondContact O-N 2.95Å; A26-T30 PolarHBondContact O-OG1 3.48Å
27E95.8Very high95.2Very high92 Ų9265.5 Ų65.543%0.4334%0.341SS..Hα-helixtrans-58.6-42.8171.7-72.8172.5-168.100111.2R23 T30 L31R23-E27 IonicContact NE-OE1 3.7Å; R23-E27 WeakPolarHBondContact O-CG 3.48Å; R23-E27 PolarHBondContact O-N 3.17Å; E27-T30 WeakPolarHBondContact CA-OG1 3.32Å; E27-T30 PolarHBondContact O-OG1 3.4Å; E27-L31 WeakPolarHBondContact O-CB 3.39Å; E27-L31 PolarHBondContact O-N 3.03Å
28A96.2Very high95Very high17 Ų1767.9 Ų67.914%0.1435%0.353CS..Hα-helixtrans-65.7-42.8176.900000112.5R24 Y25 A26 L31 H32 I50R24-A28 WeakPolarHBondContact O-CB 3.41Å; R24-A28 PolarHBondContact O-N 3.02Å; Y25-A28 PolarHBondContact O-N 3.21Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.12Å; A28-L31 PolarHBondContact O-N 3.14Å; A28-H32 WeakPolarHBondContact O-CB 3.5Å; A28-H32 PolarHBondContact O-CD2 3.15Å; A28-H32 PolarHBondContact O-N 3.44Å; A28-I50 HydrophobicContact CB-CG2 3.68Å
29F96.3Very high94.8Very high0 Ų065 Ų650%033%0.332CS..Hα-helixtrans-65.6-41.1178.7-90.8-131.1000112.1W8 F12 Y25 A26 H32 H33 I34 L39 L42 L47 I50 I52W8-F29 HydrophobicContact CD2-CB 4.16Å; W8-F29 AromaticContact CD2-CD1 3.93Å; W8-F29 HydrophobicContact CD2-CD1 3.93Å; W8-F29 HydrophobicContact CD2-CG 4.47Å; W8-F29 AromaticContact CE3-CD1 3.63Å; W8-F29 HydrophobicContact CE3-CD1 3.63Å; W8-F29 HydrophobicContact CE3-CE1 4.21Å; W8-F29 HydrophobicContact CE3-CG 4.48Å; W8-F29 HydrophobicContact CG-CB 4.26Å; W8-F29 AromaticContact CH2-CD1 3.97Å; W8-F29 HydrophobicContact CH2-CD1 3.97Å; W8-F29 HydrophobicContact CH2-CE1 4.44Å; W8-F29 HydrophobicContact CZ2-CD1 4.24Å; W8-F29 AromaticContact CZ3-CD1 3.65Å; W8-F29 HydrophobicContact CZ3-CD1 3.65Å; W8-F29 AromaticContact CZ3-CE1 3.96Å; W8-F29 HydrophobicContact CZ3-CE1 3.96Å; F12-F29 HydrophobicContact CE1-CE1 4.36Å; F12-F29 HydrophobicContact CE1-CE2 4.34Å; F12-F29 HydrophobicContact CE1-CZ 4.12Å; F12-F29 HydrophobicContact CE2-CD2 4.5Å; F12-F29 HydrophobicContact CE2-CG 4.42Å; F12-F29 AromaticContact CZ-CD1 3.91Å; F12-F29 HydrophobicContact CZ-CD1 3.91Å; F12-F29 AromaticContact CZ-CD2 3.78Å; F12-F29 HydrophobicContact CZ-CD2 3.78Å; F12-F29 AromaticContact CZ-CE1 3.87Å; F12-F29 HydrophobicContact CZ-CE1 3.87Å; F12-F29 AromaticContact CZ-CE2 3.77Å; F12-F29 HydrophobicContact CZ-CE2 3.77Å; F12-F29 AromaticContact CZ-CG 3.87Å; F12-F29 HydrophobicContact CZ-CG 3.87Å; F12-F29 AromaticContact CZ-CZ 3.8Å; F12-F29 HydrophobicContact CZ-CZ 3.8Å; Y25-F29 WeakPolarHBondContact O-CB 3.43Å; Y25-F29 WeakPolarHBondContact O-CD2 2.96Å; Y25-F29 PolarHBondContact O-N 3.46Å; A26-F29 PolarHBondContact O-N 2.9Å; F29-H32 PolarHBondContact O-N 3.03Å; F29-H33 PolarHBondContact O-N 3.32Å; F29-I34 HydrophobicContact CB-CB 4.21Å; F29-I34 HydrophobicContact CB-CG1 4.32Å; F29-I34 HydrophobicContact CD1-CB 3.76Å; F29-I34 HydrophobicContact CD1-CG1 4.1Å; F29-I34 HydrophobicContact CD1-CG2 3.58Å; F29-I34 HydrophobicContact CE1-CB 4.39Å; F29-I34 HydrophobicContact CE1-CG2 3.79Å; F29-I34 HydrophobicContact CG-CB 4.11Å; F29-I34 HydrophobicContact CG-CG1 4.08Å; F29-I34 HydrophobicContact CG-CG2 4.4Å; F29-I34 PolarHBondContact O-N 2.79Å; F29-L39 HydrophobicContact CE1-CD1 4.33Å; F29-L42 HydrophobicContact CE1-CD1 3.99Å; F29-L42 HydrophobicContact CZ-CD1 4.06Å; F29-L47 HydrophobicContact CE2-CD2 4.01Å; F29-L47 HydrophobicContact CZ-CD2 3.71Å; F29-I50 HydrophobicContact CD2-CG2 4.28Å; F29-I52 HydrophobicContact CD2-CD1 4.44Å; F29-I52 HydrophobicContact CE2-CD1 3.68Å
30T95Very high94.7Very high48 Ų4863.3 Ų63.329%0.29432%0.323SS..Hα-helixtrans-67.6-40.9175.951.50000111.7E5 A26 E27 H32 H33E5-T30 HydrophobicContact CB-CG2 4.28Å; A26-T30 WeakPolarHBondContact O-CB 3.34Å; A26-T30 WeakPolarHBondContact O-CG2 3.5Å; A26-T30 PolarHBondContact O-N 2.95Å; A26-T30 PolarHBondContact O-OG1 3.48Å; E27-T30 WeakPolarHBondContact CA-OG1 3.32Å; E27-T30 PolarHBondContact O-OG1 3.4Å; T30-H32 VanDerWaalsContact C-N 3.34Å; T30-H32 PolarHBondContact O-N 2.88Å; T30-H33 PolarHBondContact O-N 2.74Å
31L95.4Very high94.6Very high129 Ų12966.3 Ų66.368%0.67533%0.326SS*.Hα-helixtrans-62.2-38.7175.8-177.166.4000112.6E27 A28 H33E27-L31 WeakPolarHBondContact O-CB 3.39Å; E27-L31 PolarHBondContact O-N 3.03Å; A28-L31 PolarHBondContact O-N 3.14Å; L31-H33 VanDerWaalsContact C-N 3.29Å
32H95.1Very high94.5Very high92 Ų9264.2 Ų64.243%0.42632%0.315SS..THydrogen-bonded Turntrans-87.57.1178.1-76.3-90.5000113.9A28 F29 T30 I34 I50A28-H32 WeakPolarHBondContact O-CB 3.5Å; A28-H32 PolarHBondContact O-CD2 3.15Å; A28-H32 PolarHBondContact O-N 3.44Å; F29-H32 PolarHBondContact O-N 3.03Å; T30-H32 VanDerWaalsContact C-N 3.34Å; T30-H32 PolarHBondContact O-N 2.88Å; H32-I34 HydrophobicContact CB-CD1 4.15Å; H32-I34 HydrophobicContact CB-CG1 4.14Å; H32-I34 PolarHBondContact O-N 3.44Å; H32-I50 HydrophobicContact CB-CD1 4.41Å; H32-I50 HydrophobicContact CB-CG1 4.13Å; H32-I50 HydrophobicContact CB-CG2 4.47Å
33H93.8Very high94.5Very high153 Ų15366.2 Ų66.271%0.70833%0.329SS*.THydrogen-bonded Turntrans52.639.5-179.1-56.5-59.8000113.6F29 T30 L31 T35F29-H33 PolarHBondContact O-N 3.32Å; T30-H33 PolarHBondContact O-N 2.74Å; L31-H33 VanDerWaalsContact C-N 3.29Å; H33-T35 PolarHBondContact O-N 3.47Å
34I94.1Very high94.5Very high15 Ų1562.1 Ų62.18%0.07732%0.318CS..  trans-67.6123.6174-53.4-56.5000108.4W8 F29 H32 I38 L42 I50W8-I34 HydrophobicContact CH2-CG2 4.11Å; W8-I34 HydrophobicContact CZ2-CG2 4.31Å; W8-I34 WeakPolarHBondContact CZ2-O 3.34Å; F29-I34 HydrophobicContact CB-CB 4.21Å; F29-I34 HydrophobicContact CB-CG1 4.32Å; F29-I34 HydrophobicContact CD1-CB 3.76Å; F29-I34 HydrophobicContact CD1-CG1 4.1Å; F29-I34 HydrophobicContact CD1-CG2 3.58Å; F29-I34 HydrophobicContact CE1-CB 4.39Å; F29-I34 HydrophobicContact CE1-CG2 3.79Å; F29-I34 HydrophobicContact CG-CB 4.11Å; F29-I34 HydrophobicContact CG-CG1 4.08Å; F29-I34 HydrophobicContact CG-CG2 4.4Å; F29-I34 PolarHBondContact O-N 2.79Å; H32-I34 HydrophobicContact CB-CD1 4.15Å; H32-I34 HydrophobicContact CB-CG1 4.14Å; H32-I34 PolarHBondContact O-N 3.44Å; I34-I38 HydrophobicContact CB-CD1 4.24Å; I34-I38 HydrophobicContact CD1-CD1 3.65Å; I34-I38 HydrophobicContact CG2-CD1 3.97Å; I34-I38 HydrophobicContact CG2-CG1 3.96Å; I34-L42 HydrophobicContact CD1-CD2 4.48Å; I34-L42 HydrophobicContact CG2-CD1 4.37Å; I34-I50 HydrophobicContact CD1-CD1 3.63Å; I34-I50 HydrophobicContact CG1-CD1 3.98Å
35T92.5Very high94.4Very high34 Ų3457.9 Ų57.921%0.20931%0.312CS..  trans-106.8157.117660.30000110.5H33 D37 I38 L39H33-T35 PolarHBondContact O-N 3.47Å; T35-D37 PolarHBondContact O-N 3.01Å; T35-I38 WeakPolarHBondContact O-CG1 3.45Å; T35-I38 PolarHBondContact O-N 3.27Å; T35-I38 VanDerWaalsContact O-N 3.14Å; T35-L39 PolarHBondContact O-N 3.2Å
36P90.5Very high94.3Very high31 Ų3158.9 Ų58.920%0.20132%0.32CS..G310 helixtrans-55.4-32.5173.723.9-36.7000112.5Y3 I38 L39 P40Y3-P36 HydrophobicContact CD2-CB 4.17Å; Y3-P36 HydrophobicContact CD2-CG 3.7Å; Y3-P36 HydrophobicContact CE2-CB 3.71Å; Y3-P36 HydrophobicContact CE2-CG 3.59Å; P36-I38 VanDerWaalsContact C-N 3.29Å; P36-I38 PolarHBondContact O-N 3.32Å; P36-L39 WeakPolarHBondContact O-CB 3.38Å; P36-L39 PolarHBondContact O-N 3.45Å; P36-L39 VanDerWaalsContact O-N 3.12Å; P36-P40 WeakPolarHBondContact O-CD 3.32Å
37D90.5Very high94.3Very high122 Ų12258.9 Ų58.965%0.65232%0.32SS*.G310 helixtrans-64.8-30.9-179.6-50.4-42.6000113T35 P40T35-D37 PolarHBondContact O-N 3.01Å; D37-P40 WeakPolarHBondContact O-CD 3.4Å
38I92Very high94.4Very high60 Ų6059.9 Ų59.931%0.30832%0.32SS..G310 helixtrans-92.6-7.1177.570.5167.1000112.9I34 T35 P36 P40 L41 L42I34-I38 HydrophobicContact CB-CD1 4.24Å; I34-I38 HydrophobicContact CD1-CD1 3.65Å; I34-I38 HydrophobicContact CG2-CD1 3.97Å; I34-I38 HydrophobicContact CG2-CG1 3.96Å; T35-I38 WeakPolarHBondContact O-CG1 3.45Å; T35-I38 PolarHBondContact O-N 3.27Å; T35-I38 VanDerWaalsContact O-N 3.14Å; P36-I38 VanDerWaalsContact C-N 3.29Å; P36-I38 PolarHBondContact O-N 3.32Å; I38-P40 VanDerWaalsContact C-CD 3.43Å; I38-P40 VanDerWaalsContact C-N 3.34Å; I38-L41 WeakPolarHBondContact O-CA 3.36Å; I38-L41 WeakPolarHBondContact O-CB 3.43Å; I38-L41 PolarHBondContact O-N 2.98Å; I38-L42 PolarHBondContact O-N 3.43Å
39L92.7Very high94.4Very high9 Ų966 Ų665%0.04735%0.346CS..G310 helixtrans-53.9-44.6179.9-158.179.7000112.1W8 F11 F29 T35 P36 L41 L42 R65W8-L39 HydrophobicContact CH2-CD1 3.92Å; W8-L39 HydrophobicContact CZ3-CD1 3.78Å; F11-L39 HydrophobicContact CE2-CD2 3.74Å; F11-L39 HydrophobicContact CZ-CD1 4.27Å; F11-L39 HydrophobicContact CZ-CD2 3.9Å; F29-L39 HydrophobicContact CE1-CD1 4.33Å; T35-L39 PolarHBondContact O-N 3.2Å; P36-L39 WeakPolarHBondContact O-CB 3.38Å; P36-L39 PolarHBondContact O-N 3.45Å; P36-L39 VanDerWaalsContact O-N 3.12Å; L39-L41 PolarHBondContact O-N 3.02Å; L39-L41 VanDerWaalsContact O-N 3.17Å; L39-L42 HydrophobicContact CD1-CD1 3.67Å; L39-L42 HydrophobicContact CG-CD1 4.35Å; L39-L42 WeakPolarHBondContact O-CB 3.39Å; L39-L42 WeakPolarHBondContact O-CG 3.34Å; L39-L42 PolarHBondContact O-N 3.48Å; L39-L42 VanDerWaalsContact O-N 3.13Å; L39-R65 HydrophobicContact CD2-CB 4.27Å; L39-R65 HydrophobicContact CD2-CG 4.05Å; L39-R65 HydrophobicContact CG-CB 4.35Å; L39-R65 HydrophobicContact CG-CG 3.92Å; L39-R65 WeakPolarHBondContact O-CD 3.33Å
40P92.8Very high94.3Very high71 Ų7166.8 Ų66.846%0.46135%0.349SS..G310 helixtrans-59.9-25.1175.5-2233000114.2P36 D37 I38P36-P40 WeakPolarHBondContact O-CD 3.32Å; D37-P40 WeakPolarHBondContact O-CD 3.4Å; I38-P40 VanDerWaalsContact C-CD 3.43Å; I38-P40 VanDerWaalsContact C-N 3.34Å
41L92.6Very high94.4Very high117 Ų11766 Ų6661%0.61335%0.351SS*.G310 helixtrans-88.7-7-177.2-59.1171.4000112.7I38 L39I38-L41 WeakPolarHBondContact O-CA 3.36Å; I38-L41 WeakPolarHBondContact O-CB 3.43Å; I38-L41 PolarHBondContact O-N 2.98Å; L39-L41 PolarHBondContact O-N 3.02Å; L39-L41 VanDerWaalsContact O-N 3.17Å
42L94.8Very high94.5Very high9 Ų959.9 Ų59.95%0.04732%0.318CS..  trans-62.6139.7179.6-68.6-179.5000111.4F29 I34 I38 L39 T46 L47 L62 R65F29-L42 HydrophobicContact CE1-CD1 3.99Å; F29-L42 HydrophobicContact CZ-CD1 4.06Å; I34-L42 HydrophobicContact CD1-CD2 4.48Å; I34-L42 HydrophobicContact CG2-CD1 4.37Å; I38-L42 PolarHBondContact O-N 3.43Å; L39-L42 HydrophobicContact CD1-CD1 3.67Å; L39-L42 HydrophobicContact CG-CD1 4.35Å; L39-L42 WeakPolarHBondContact O-CB 3.39Å; L39-L42 WeakPolarHBondContact O-CG 3.34Å; L39-L42 PolarHBondContact O-N 3.48Å; L39-L42 VanDerWaalsContact O-N 3.13Å; L42-T46 HydrophobicContact CD2-CG2 3.8Å; L42-L47 HydrophobicContact CD1-CD2 4.32Å; L42-L62 HydrophobicContact CB-CD2 4.44Å; L42-R65 PolarHBondContact O-NH1 3.48Å
43S95.9Very high94.5Very high43 Ų4363.1 Ų63.130%0.30133%0.328SS..  trans-127.2165.217666.80000109.8T45 T46 L47S43-T45 PolarHBondContact O-N 3.36Å; S43-T45 PolarHBondContact OG-OG1 3.05Å; S43-T46 PolarHBondContact O-N 3.01Å; S43-T46 VanDerWaalsContact O-N 3.13Å; S43-T46 PolarHBondContact OG-N 2.89Å; S43-T46 PolarHBondContact OG-OG1 3.34Å; S43-L47 WeakPolarHBondContact O-CG 3.33Å; S43-L47 PolarHBondContact O-N 2.95Å
44I96.3Very high94.6Very high68 Ų6858.8 Ų58.835%0.34931%0.313SS..Hα-helixtrans-56.1-35.7176.1-60.9174.5000110.6R48 C58 M59 L62I44-R48 WeakPolarHBondContact O-CG 3.31Å; I44-R48 PolarHBondContact O-N 3.16Å; I44-R48 VanDerWaalsContact O-N 3.16Å; I44-C58 HydrophobicContact CG2-CB 4.47Å; I44-M59 HydrophobicContact CD1-SD 4.02Å; I44-L62 HydrophobicContact CD1-CD1 4.28Å; I44-L62 HydrophobicContact CG1-CD1 3.39Å
45T96.3Very high94.7Very high88 Ų8861.6 Ų61.654%0.5433%0.331SS..Hα-helixtrans-67.7-44.4178.652.30000111.5S43 L47 R48 E49S43-T45 PolarHBondContact O-N 3.36Å; S43-T45 PolarHBondContact OG-OG1 3.05Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.23Å; T45-R48 WeakPolarHBondContact O-CB 3.4Å; T45-R48 PolarHBondContact O-N 3.45Å; T45-E49 WeakPolarHBondContact O-CG 3.22Å; T45-E49 PolarHBondContact O-N 3.21Å
46T95.7Very high94.9Very high39 Ų3962.2 Ų62.224%0.23934%0.344CS..Hα-helixtrans-61.2-41.8176.7-47.30000112L42 S43 R48 E49 I50L42-T46 HydrophobicContact CD2-CG2 3.8Å; S43-T46 PolarHBondContact O-N 3.01Å; S43-T46 VanDerWaalsContact O-N 3.13Å; S43-T46 PolarHBondContact OG-N 2.89Å; S43-T46 PolarHBondContact OG-OG1 3.34Å; T46-R48 VanDerWaalsContact C-N 3.31Å; T46-R48 PolarHBondContact O-N 3.2Å; T46-E49 PolarHBondContact O-N 3.43Å; T46-I50 HydrophobicContact CG2-CD1 3.98Å; T46-I50 WeakPolarHBondContact O-CD1 3.38Å; T46-I50 VanDerWaalsContact O-CG1 3.31Å; T46-I50 WeakPolarHBondContact O-CG1 3.37Å; T46-I50 PolarHBondContact O-N 3.06Å; T46-I50 VanDerWaalsContact O-N 3.12Å
47L96.9Very high95.3Very high0 Ų062 Ų620%034%0.342CS..Hα-helixtrans-62.3-39.3176.9-67.7175.5000111.9F29 L42 S43 T45 I50 G51 I52 C58 I61 L62F29-L47 HydrophobicContact CE2-CD2 4.01Å; F29-L47 HydrophobicContact CZ-CD2 3.71Å; L42-L47 HydrophobicContact CD1-CD2 4.32Å; S43-L47 WeakPolarHBondContact O-CG 3.33Å; S43-L47 PolarHBondContact O-N 2.95Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.23Å; L47-I50 PolarHBondContact O-N 3.34Å; L47-G51 PolarHBondContact O-N 3.21Å; L47-I52 HydrophobicContact CB-CB 4.31Å; L47-I52 HydrophobicContact CD2-CD1 4.31Å; L47-I52 WeakPolarHBondContact O-CA 3.22Å; L47-I52 WeakPolarHBondContact O-CB 3.48Å; L47-I52 PolarHBondContact O-N 3.02Å; L47-C58 HydrophobicContact CD1-CB 4.07Å; L47-I61 HydrophobicContact CD1-CB 4.28Å; L47-I61 HydrophobicContact CD1-CG2 4.1Å; L47-I61 HydrophobicContact CD2-CD1 4.47Å; L47-I61 HydrophobicContact CD2-CG2 4.14Å; L47-L62 HydrophobicContact CD1-CD1 4.35Å; L47-L62 HydrophobicContact CD1-CD2 4.15Å; L47-L62 HydrophobicContact CD1-CG 3.97Å
48R96.9Very high95.6Very high113 Ų11356.2 Ų56.243%0.42631%0.31SS..Hα-helixtrans-67.9-37175.5-74.3179.7171-161.5-0.6113.1I44 T45 T46 I50 G51 I52 Y53I44-R48 WeakPolarHBondContact O-CG 3.31Å; I44-R48 PolarHBondContact O-N 3.16Å; I44-R48 VanDerWaalsContact O-N 3.16Å; T45-R48 WeakPolarHBondContact O-CB 3.4Å; T45-R48 PolarHBondContact O-N 3.45Å; T46-R48 VanDerWaalsContact C-N 3.31Å; T46-R48 PolarHBondContact O-N 3.2Å; R48-I50 VanDerWaalsContact C-N 3.28Å; R48-I50 PolarHBondContact O-N 2.99Å; R48-G51 PolarHBondContact O-N 3.46Å; R48-I52 WeakPolarHBondContact CA-O 3.49Å; R48-Y53 WeakPolarHBondContact O-CE1 3.42Å
49E95.8Very high95.8Very high146 Ų14657.1 Ų57.168%0.68231%0.314SS*.Hα-helixtrans-64.1-34.4176.1-74.1169.9-175.900112.1T45 T46 G51T45-E49 WeakPolarHBondContact O-CG 3.22Å; T45-E49 PolarHBondContact O-N 3.21Å; T46-E49 PolarHBondContact O-N 3.43Å; E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.25Å
50I95.7Very high96Very high16 Ų1659.4 Ų59.48%0.08233%0.327CS..THydrogen-bonded Turntrans-78.5-11.5177.7-65163.9000112.2A28 F29 H32 I34 T46 L47 R48A28-I50 HydrophobicContact CB-CG2 3.68Å; F29-I50 HydrophobicContact CD2-CG2 4.28Å; H32-I50 HydrophobicContact CB-CD1 4.41Å; H32-I50 HydrophobicContact CB-CG1 4.13Å; H32-I50 HydrophobicContact CB-CG2 4.47Å; I34-I50 HydrophobicContact CD1-CD1 3.63Å; I34-I50 HydrophobicContact CG1-CD1 3.98Å; T46-I50 HydrophobicContact CG2-CD1 3.98Å; T46-I50 WeakPolarHBondContact O-CD1 3.38Å; T46-I50 VanDerWaalsContact O-CG1 3.31Å; T46-I50 WeakPolarHBondContact O-CG1 3.37Å; T46-I50 PolarHBondContact O-N 3.06Å; T46-I50 VanDerWaalsContact O-N 3.12Å; L47-I50 PolarHBondContact O-N 3.34Å; R48-I50 VanDerWaalsContact C-N 3.28Å; R48-I50 PolarHBondContact O-N 2.99Å
51G96Very high96.2Very high31 Ų3156.1 Ų56.132%0.3231%0.305SS..THydrogen-bonded Turntrans10710.6177.100000115.2L47 R48 E49 Y53L47-G51 PolarHBondContact O-N 3.21Å; R48-G51 PolarHBondContact O-N 3.46Å; E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.25Å; G51-Y53 WeakPolarHBondContact O-CD2 3.25Å; G51-Y53 PolarHBondContact O-N 3.23Å
52I96.8Very high96.4Very high0 Ų051.3 Ų51.30%028%0.28CS..  trans-91.390.6171.9-50.4-170.7000108.6Y25 F29 L47 R48 D57 C58 I61Y25-I52 HydrophobicContact CD1-CD1 3.83Å; Y25-I52 HydrophobicContact CD1-CG1 3.69Å; Y25-I52 HydrophobicContact CD2-CD1 4.13Å; Y25-I52 HydrophobicContact CE1-CB 4.34Å; Y25-I52 HydrophobicContact CE1-CD1 4.26Å; Y25-I52 HydrophobicContact CE1-CG1 3.8Å; Y25-I52 HydrophobicContact CE1-CG2 4.17Å; Y25-I52 HydrophobicContact CE2-CG2 4.25Å; Y25-I52 HydrophobicContact CG-CD1 3.76Å; Y25-I52 HydrophobicContact CG-CG1 4.17Å; F29-I52 HydrophobicContact CD2-CD1 4.44Å; F29-I52 HydrophobicContact CE2-CD1 3.68Å; L47-I52 HydrophobicContact CB-CB 4.31Å; L47-I52 HydrophobicContact CD2-CD1 4.31Å; L47-I52 WeakPolarHBondContact O-CA 3.22Å; L47-I52 WeakPolarHBondContact O-CB 3.48Å; L47-I52 PolarHBondContact O-N 3.02Å; R48-I52 WeakPolarHBondContact CA-O 3.49Å; I52-D57 HydrophobicContact CG2-CB 4.15Å; I52-C58 PolarHBondContact O-SG 2.96Å; I52-I61 HydrophobicContact CD1-CD1 3.57Å; I52-I61 HydrophobicContact CG2-CD1 4.23Å
53Y96.4Very high96.4Very high161 Ų16155 Ų5563%0.63130%0.297SS*.  trans-85.1-36.2-178.4-61.7-69.4000115.7R48 G51 V55R48-Y53 WeakPolarHBondContact O-CE1 3.42Å; G51-Y53 WeakPolarHBondContact O-CD2 3.25Å; G51-Y53 PolarHBondContact O-N 3.23Å; Y53-V55 PolarHBondContact O-N 3.43Å; Y53-V55 VanDerWaalsContact O-N 3.16Å
54P96.1Very high96.4Very high61 Ų6154 Ų5440%0.39629%0.287SS..  trans-60.9120.9-179.7-23.334.5000110.9G56 D57 C58P54-G56 PolarHBondContact O-N 3.43Å; P54-D57 HydrophobicContact CB-CB 4.19Å; P54-D57 WeakPolarHBondContact CB-OD2 3.38Å; P54-D57 PolarHBondContact O-N 3.26Å; P54-C58 PolarHBondContact O-N 3.04Å; P54-C58 PolarHBondContact O-SG 2.94Å
55V95.8Very high96.2Very high74 Ų7452.4 Ų52.445%0.44828%0.277SS..Hα-helixtrans-62.9-34.8-179.6177.30000111Y53 C58 M59Y53-V55 PolarHBondContact O-N 3.43Å; Y53-V55 VanDerWaalsContact O-N 3.16Å; V55-C58 WeakPolarHBondContact O-CB 3.46Å; V55-C58 PolarHBondContact O-N 3.39Å; V55-M59 HydrophobicContact CG1-CG 4.28Å; V55-M59 VanDerWaalsContact O-CG 3.31Å; V55-M59 WeakPolarHBondContact O-CG 3.37Å; V55-M59 PolarHBondContact O-N 3.05Å
56G97.2Very high96Very high47 Ų4751.1 Ų51.149%0.48527%0.267SS..Hα-helixtrans-56.3-50.8174.600000111.9P54 C58 M59 L60P54-G56 PolarHBondContact O-N 3.43Å; G56-C58 PolarHBondContact O-N 3.19Å; G56-M59 PolarHBondContact O-N 3.46Å; G56-L60 WeakPolarHBondContact O-CG 3.48Å; G56-L60 PolarHBondContact O-N 2.93Å
57D97.6Very high95.8Very high27 Ų2756.8 Ų56.814%0.14428%0.284CS..Hα-helixtrans-66.2-39.8179.3-60.3-21.7000111.5Y25 I52 P54 M59 L60 I61Y25-D57 HydrophobicContact CE2-CB 4.14Å; Y25-D57 PolarHBondContact OH-OD2 3.41Å; I52-D57 HydrophobicContact CG2-CB 4.15Å; P54-D57 HydrophobicContact CB-CB 4.19Å; P54-D57 WeakPolarHBondContact CB-OD2 3.38Å; P54-D57 PolarHBondContact O-N 3.26Å; D57-M59 VanDerWaalsContact C-N 3.28Å; D57-M59 PolarHBondContact O-N 2.88Å; D57-L60 PolarHBondContact O-N 3.07Å; D57-I61 VanDerWaalsContact O-CG1 3.25Å; D57-I61 WeakPolarHBondContact O-CG1 3.33Å; D57-I61 PolarHBondContact O-N 3.08Å
58C97.1Very high95.4Very high0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-56.5-44.7173.7-63.70000111.5I44 L47 I52 P54 V55 G56 L62I44-C58 HydrophobicContact CG2-CB 4.47Å; L47-C58 HydrophobicContact CD1-CB 4.07Å; I52-C58 PolarHBondContact O-SG 2.96Å; P54-C58 PolarHBondContact O-N 3.04Å; P54-C58 PolarHBondContact O-SG 2.94Å; V55-C58 WeakPolarHBondContact O-CB 3.46Å; V55-C58 PolarHBondContact O-N 3.39Å; G56-C58 PolarHBondContact O-N 3.19Å; C58-L62 WeakPolarHBondContact O-CG 3.38Å; C58-L62 PolarHBondContact O-N 3.5Å; C58-L62 VanDerWaalsContact O-N 3.08Å
59M96.6Very high94.8Very high79 Ų7954.5 Ų54.539%0.38928%0.283SS..Hα-helixtrans-69-40.2-180-69.2-57.1-60.300112.1I44 V55 G56 D57 L62 Q63I44-M59 HydrophobicContact CD1-SD 4.02Å; V55-M59 HydrophobicContact CG1-CG 4.28Å; V55-M59 VanDerWaalsContact O-CG 3.31Å; V55-M59 WeakPolarHBondContact O-CG 3.37Å; V55-M59 PolarHBondContact O-N 3.05Å; G56-M59 PolarHBondContact O-N 3.46Å; D57-M59 VanDerWaalsContact C-N 3.28Å; D57-M59 PolarHBondContact O-N 2.88Å; M59-L62 PolarHBondContact O-N 3.04Å; M59-Q63 WeakPolarHBondContact O-CB 3.46Å; M59-Q63 WeakPolarHBondContact O-CG 3.17Å; M59-Q63 PolarHBondContact O-N 2.9Å
60L97.1Very high93.8Very high58 Ų5853.2 Ų53.230%0.30428%0.277SS..Hα-helixtrans-61.4-43.7175.8-71.3174.6000111.7G56 D57 Q63 H64G56-L60 WeakPolarHBondContact O-CG 3.48Å; G56-L60 PolarHBondContact O-N 2.93Å; D57-L60 PolarHBondContact O-N 3.07Å; L60-Q63 PolarHBondContact O-N 2.92Å; L60-H64 WeakPolarHBondContact O-CB 3.45Å; L60-H64 PolarHBondContact O-N 3.29Å
61I96.9Very high92.3Very high1 Ų156.8 Ų56.81%0.00530%0.299CS..Hα-helixtrans-61.1-48.6176.6-68.5168.1000110.8F11 F12 I17 L47 I52 D57 H64 R65F11-I61 HydrophobicContact CE1-CG2 4.26Å; F12-I61 HydrophobicContact CD1-CD1 4.13Å; F12-I61 HydrophobicContact CD1-CG1 3.98Å; F12-I61 HydrophobicContact CE1-CD1 3.73Å; F12-I61 HydrophobicContact CE1-CG1 3.88Å; I17-I61 HydrophobicContact CD1-CD1 3.84Å; I17-I61 HydrophobicContact CD1-CG1 3.55Å; L47-I61 HydrophobicContact CD1-CB 4.28Å; L47-I61 HydrophobicContact CD1-CG2 4.1Å; L47-I61 HydrophobicContact CD2-CD1 4.47Å; L47-I61 HydrophobicContact CD2-CG2 4.14Å; I52-I61 HydrophobicContact CD1-CD1 3.57Å; I52-I61 HydrophobicContact CG2-CD1 4.23Å; D57-I61 VanDerWaalsContact O-CG1 3.25Å; D57-I61 WeakPolarHBondContact O-CG1 3.33Å; D57-I61 PolarHBondContact O-N 3.08Å; I61-H64 PolarHBondContact O-N 3.47Å; I61-R65 WeakPolarHBondContact O-CB 3.47Å; I61-R65 PolarHBondContact O-N 2.95Å
62L96.1Very high90.5Very high16 Ų1660.9 Ų60.98%0.08431%0.31CS..Hα-helixtrans-66-40.5-178.8-67.2170.9000111.7L42 I44 L47 C58 M59 R65 D66L42-L62 HydrophobicContact CB-CD2 4.44Å; I44-L62 HydrophobicContact CD1-CD1 4.28Å; I44-L62 HydrophobicContact CG1-CD1 3.39Å; L47-L62 HydrophobicContact CD1-CD1 4.35Å; L47-L62 HydrophobicContact CD1-CD2 4.15Å; L47-L62 HydrophobicContact CD1-CG 3.97Å; C58-L62 WeakPolarHBondContact O-CG 3.38Å; C58-L62 PolarHBondContact O-N 3.5Å; C58-L62 VanDerWaalsContact O-N 3.08Å; M59-L62 PolarHBondContact O-N 3.04Å; L62-R65 WeakPolarHBondContact O-CB 3.35Å; L62-R65 PolarHBondContact O-N 2.97Å; L62-D66 PolarHBondContact O-N 3.49Å
63Q95.6Very high88.5Confident88 Ų8865.2 Ų65.241%0.41134%0.34SS..Hα-helixtrans-62.5-42.1174-75.9178.4400112M59 L60 D66 R67M59-Q63 WeakPolarHBondContact O-CB 3.46Å; M59-Q63 WeakPolarHBondContact O-CG 3.17Å; M59-Q63 PolarHBondContact O-N 2.9Å; L60-Q63 PolarHBondContact O-N 2.92Å; Q63-D66 PolarHBondContact O-N 3.14Å; Q63-R67 WeakPolarHBondContact O-CG 3.48Å; Q63-R67 PolarHBondContact O-N 3.19Å
64H95.3Very high86.2Confident21 Ų2166.2 Ų66.210%0.09735%0.348CS..Hα-helixtrans-69.1-43178.9-170.555.3000111.6F11 K14 A15 L60 I61 D66 R67 V68F11-H64 AromaticContact CD2-CD2 3.58Å; F11-H64 AromaticContact CD2-NE2 3.87Å; F11-H64 AromaticContact CE2-CD2 3.37Å; F11-H64 WeakPolarHBondContact CE2-CD2 3.45Å; F11-H64 AromaticContact CE2-NE2 3.99Å; F11-H64 AromaticContact CZ-CD2 3.7Å; F11-H64 PolarHBondContact O-CD2 3.25Å; K14-H64 WeakPolarHBondContact CB-NE2 3.41Å; A15-H64 HydrophobicContact CB-CB 3.52Å; L60-H64 WeakPolarHBondContact O-CB 3.45Å; L60-H64 PolarHBondContact O-N 3.29Å; I61-H64 PolarHBondContact O-N 3.47Å; H64-D66 VanDerWaalsContact C-N 3.32Å; H64-D66 PolarHBondContact O-N 3.43Å; H64-R67 WeakPolarHBondContact O-CB 3.44Å; H64-R67 PolarHBondContact O-N 3.3Å; H64-V68 WeakPolarHBondContact O-CG2 3.23Å; H64-V68 PolarHBondContact O-N 2.88Å
65R93.5Very high83.9Confident35 Ų3569.5 Ų69.513%0.13236%0.363CS..Hα-helixtrans-51.3-52.3170.4169.6-153.872.5-179.1-0.6110.9F11 L39 L42 I61 L62 R67 V68 C69F11-R65 HydrophobicContact CZ-CB 4.46Å; L39-R65 HydrophobicContact CD2-CB 4.27Å; L39-R65 HydrophobicContact CD2-CG 4.05Å; L39-R65 HydrophobicContact CG-CB 4.35Å; L39-R65 HydrophobicContact CG-CG 3.92Å; L39-R65 WeakPolarHBondContact O-CD 3.33Å; L42-R65 PolarHBondContact O-NH1 3.48Å; I61-R65 WeakPolarHBondContact O-CB 3.47Å; I61-R65 PolarHBondContact O-N 2.95Å; L62-R65 WeakPolarHBondContact O-CB 3.35Å; L62-R65 PolarHBondContact O-N 2.97Å; R65-R67 PolarHBondContact O-N 2.91Å; R65-V68 PolarHBondContact O-N 3.28Å; R65-C69 WeakPolarHBondContact O-CB 3.28Å; R65-C69 PolarHBondContact O-N 3.35Å; R65-C69 PolarHBondContact O-SG 3.38Å; R65-C69 VanDerWaalsContact O-SG 3.33Å
66D92Very high81.6Confident61 Ų6174.2 Ų74.233%0.32638%0.38SS..Hα-helixtrans-58.5-40.8-177.1-69.2-17.8000110.7L62 Q63 H64 H70L62-D66 PolarHBondContact O-N 3.49Å; Q63-D66 PolarHBondContact O-N 3.14Å; H64-D66 VanDerWaalsContact C-N 3.32Å; H64-D66 PolarHBondContact O-N 3.43Å; D66-H70 WeakPolarHBondContact O-CB 3.25Å; D66-H70 PolarHBondContact O-CD2 3.33Å; D66-H70 PolarHBondContact O-N 3.45Å
67R91.1Very high78.8Confident157 Ų15779.8 Ų79.859%0.59239%0.393SS*.Hα-helixtrans-61.6-46.4174-66.6172.2-171.2168.95.8112.2Q63 H64 R65 V71Q63-R67 WeakPolarHBondContact O-CG 3.48Å; Q63-R67 PolarHBondContact O-N 3.19Å; H64-R67 WeakPolarHBondContact O-CB 3.44Å; H64-R67 PolarHBondContact O-N 3.3Å; R65-R67 PolarHBondContact O-N 2.91Å; R67-V71 WeakPolarHBondContact O-CB 3.45Å; R67-V71 WeakPolarHBondContact O-CG2 3.48Å; R67-V71 PolarHBondContact O-N 3.46Å
68V88.2Confident76.1Confident40 Ų4084.5 Ų84.524%0.24243%0.425CS..Hα-helixtrans-66.4-48.9-178.8175.30000111.2F11 H64 R65 H70 V71 E72F11-V68 HydrophobicContact CE2-CG2 4.31Å; H64-V68 WeakPolarHBondContact O-CG2 3.23Å; H64-V68 PolarHBondContact O-N 2.88Å; R65-V68 PolarHBondContact O-N 3.28Å; V68-H70 PolarHBondContact O-N 3.38Å; V68-V71 PolarHBondContact O-N 3.08Å; V68-E72 PolarHBondContact O-N 2.97Å; V68-E72 VanDerWaalsContact O-N 3.09Å
69C84.2Confident73.3Confident26 Ų2694.1 Ų94.118%0.17647%0.467CS..Hα-helixtrans-68.3-33.4-178.3-61.10000112.7R65 S73R65-C69 WeakPolarHBondContact O-CB 3.28Å; R65-C69 PolarHBondContact O-N 3.35Å; R65-C69 PolarHBondContact O-SG 3.38Å; R65-C69 VanDerWaalsContact O-SG 3.33Å; C69-S73 PolarHBondContact O-N 3.29Å; C69-S73 PolarHBondContact O-OG 2.95Å; C69-S73 VanDerWaalsContact O-OG 3.05Å
70H75.7Confident70.3Confident119 Ų11996.1 Ų96.155%0.55148%0.484SS*.Hα-helixtrans-70.4-37.2172.9-74-47.7000112.2D66 V68 S73 F74D66-H70 WeakPolarHBondContact O-CB 3.25Å; D66-H70 PolarHBondContact O-CD2 3.33Å; D66-H70 PolarHBondContact O-N 3.45Å; V68-H70 PolarHBondContact O-N 3.38Å; H70-S73 PolarHBondContact O-N 3.24Å; H70-F74 WeakPolarHBondContact O-CD2 3.33Å; H70-F74 PolarHBondContact O-N 3.37Å
71V63.9Low67.7Low91 Ų91102.5 Ų102.555%0.55251%0.512SS*.Hα-helixtrans-66.4-39.8178.5169.10000111.2R67 V68 S73 F74 N75R67-V71 WeakPolarHBondContact O-CB 3.45Å; R67-V71 WeakPolarHBondContact O-CG2 3.48Å; R67-V71 PolarHBondContact O-N 3.46Å; V68-V71 PolarHBondContact O-N 3.08Å; V71-S73 VanDerWaalsContact C-N 3.3Å; V71-S73 PolarHBondContact O-N 3.33Å; V71-F74 PolarHBondContact O-N 3.39Å; V71-N75 WeakPolarHBondContact O-CB 3.32Å; V71-N75 PolarHBondContact O-N 3.32Å
72E58.4Low64.9Low116 Ų116108.3 Ų108.354%0.54255%0.548SS..Hα-helixtrans-63.6-36.8177.1-70.9179170.600112V68 F74 N75 E76V68-E72 PolarHBondContact O-N 2.97Å; V68-E72 VanDerWaalsContact O-N 3.09Å; E72-F74 PolarHBondContact O-N 2.88Å; E72-N75 PolarHBondContact O-N 2.66Å; E72-E76 PolarHBondContact O-N 2.81Å
73S54.3Low62.5Low91 Ų91114.4 Ų114.464%0.63658%0.58SS**Hα-helixtrans-66.5-21.9177.7-58.60000114C69 H70 V71C69-S73 PolarHBondContact O-N 3.29Å; C69-S73 PolarHBondContact O-OG 2.95Å; C69-S73 VanDerWaalsContact O-OG 3.05Å; H70-S73 PolarHBondContact O-N 3.24Å; V71-S73 VanDerWaalsContact C-N 3.3Å; V71-S73 PolarHBondContact O-N 3.33Å
74F48Very low60Low183 Ų183119.7 Ų119.780%0.80360%0.602SS**Hα-helixtrans-98.3-12.5177.3-85.7-86.3000113.6H70 V71 E72H70-F74 WeakPolarHBondContact O-CD2 3.33Å; H70-F74 PolarHBondContact O-N 3.37Å; V71-F74 PolarHBondContact O-N 3.39Å; E72-F74 PolarHBondContact O-N 2.88Å
75N48.2Very low57.3Low130 Ų130122.1 Ų122.170%0.69563%0.633SS**Hα-helixtrans-101.5-4.9-176.2-135.13.1000113.7V71 E72 Q77V71-N75 WeakPolarHBondContact O-CB 3.32Å; V71-N75 PolarHBondContact O-N 3.32Å; E72-N75 PolarHBondContact O-N 2.66Å; N75-Q77 PolarHBondContact O-N 3.31Å
76E47.8Very low55Low173 Ų173126.7 Ų126.781%0.80867%0.667SS**  trans-75.567.1161-63.8-160.9152.600110.2E72E72-E76 PolarHBondContact O-N 2.81Å
77Q37.9Very low52.6Low164 Ų164129.4 Ų129.477%0.76669%0.69SS**  trans-61.2135.2156.7-86.2-158.7-15.100108.4N75 K79N75-Q77 PolarHBondContact O-N 3.31Å; Q77-K79 PolarHBondContact O-N 3.31Å
78P39.9Very low50.2Low126 Ų126127.7 Ų127.782%0.81870%0.7SS**  trans-64.998.6177.426.7-32.3000108.5T80P78-T80 PolarHBondContact O-N 3.12Å
79K39.5Very low48.3Very low201 Ų201129.8 Ų129.887%0.87472%0.721SS**  trans-69.191.3168.2-127.4174.6-175173.60107.1Q77 Q81Q77-K79 PolarHBondContact O-N 3.31Å; K79-Q81 PolarHBondContact O-N 2.85Å; K79-Q81 VanDerWaalsContact O-N 3.15Å
80T33.7Very low46.5Very low122 Ų122135.3 Ų135.375%0.74875%0.754SS**  trans-0.898.3152.5-7.20000114P78P78-T80 PolarHBondContact O-N 3.12Å
81Q41.7Very low45.2Very low191 Ų191133.4 Ų133.489%0.89376%0.759SS**  trans-107.288149.1-85.7-173.68.500108K79 L83K79-Q81 PolarHBondContact O-N 2.85Å; K79-Q81 VanDerWaalsContact O-N 3.15Å; Q81-L83 PolarHBondContact O-N 2.86Å
82T37.9Very low44.5Very low123 Ų123135.2 Ų135.276%0.75577%0.77SS**  trans-41.8111.7147.111.60000109.9
83L46.8Very low43.9Very low145 Ų145136.4 Ų136.476%0.75978%0.78SS**  trans-168.6118.5147.1-13066.8000111.5Q81Q81-L83 PolarHBondContact O-N 2.86Å
84F42.3Very low43.6Very low199 Ų199140.4 Ų140.487%0.87379%0.789SS**  trans78.5111.7160.9-63.6-71.8000121.1
85G38.9Very low43.5Very low72 Ų72141 Ų14174%0.74279%0.794SS**  trans145.594.414700000114.2
86P45.3Very low43.1Very low131 Ų131144.2 Ų144.285%0.85180%0.802SS**  trans-86.3132.2173.933.9-27.5000110
87S40.1Very low42.8Very low117 Ų117140.7 Ų140.782%0.81879%0.794SS**  trans-155.3111.4152.5-166.80000109.7
88P42.5Very low43.1Very low122 Ų122139.8 Ų139.879%0.79280%0.8SS**  trans-97.6127.6175.134.4-24.8000109.7
89A46.3Very low43.5Very low83 Ų83141.6 Ų141.669%0.68680%0.802SS**  trans-162.2119.7156.900000111
90T48.1Very low43.9Very low142 Ų142137.7 Ų137.787%0.87180%0.797SS**  trans61.8136.3146.2350000118.5
91A47Very low44.5Very low80 Ų80137.2 Ų137.266%0.66180%0.798SS**  cis-171.2140.5-1.400000107.9
92V50.5Low44.6Very low128 Ų128132.6 Ų132.678%0.77679%0.787SS**  64.2134.4126.61730000121.8
93N44.6Very low45.3Very low141 Ų141136 Ų13675%0.75480%0.797SS**  trans81.895.1164.7-73.7-24.8000116.8
94Q49Very low45.4Very low176 Ų176134.4 Ų134.482%0.82279%0.793SS**  43.1102.766.8-60.9-164.418.600113.8
95Q46.1Very low45.9Very low196 Ų196134 Ų13492%0.91679%0.791SS**  -173.6142.8112.1-97.7169.7-3.100112.4
96K39.2Very low46.1Very low197 Ų197136.4 Ų136.486%0.85779%0.792SS**  trans-90.8-175.2-173.6-145-159.5162.9171.20109.4
97P42.2Very low46.8Very low98 Ų98140.4 Ų140.464%0.63679%0.79SS**  -114163.3-120.237.4-18000114.1
98T42.7Very low47.4Very low145 Ų145140.6 Ų140.689%0.8979%0.788SS**  trans-169.2126.8150.8-4.10000111.8
99L48.4Very low47.6Very low165 Ų165144.1 Ų144.186%0.86479%0.791SS**  trans-74.7153.8161.9-77.2155.5000109
100P47.7Very low48.2Very low119 Ų119146.1 Ų146.177%0.77380%0.795SS**  -153165.498.939.8-21.7000116.6
101S46.3Very low48.2Very low111 Ų111143.8 Ų143.878%0.77678%0.784SS**  trans76.5110.7141.5-133.50000121.6
102S43.9Very low48.5Very low94 Ų94146 Ų14666%0.65779%0.789SS**  57.9101.1120.6-173.60000119
103M53.8Low48.3Very low195 Ų195145.8 Ų145.896%0.96178%0.784SS**  trans-136.9127.2137.3-81.7-161.6-96.600111.4
104V47.7Very low48.6Very low112 Ų112147.6 Ų147.668%0.67979%0.785SS**  trans-71.2133.1-179.2172.90000110T106V104-T106 WeakPolarHBondContact CG1-OG1 3.28Å
105F54.5Low48.5Very low191 Ų191148.8 Ų148.884%0.83879%0.787SS**  trans-129.693160.8-117.3-82.8000110.2
106T42.5Very low48.4Very low122 Ų122146.5 Ų146.575%0.74878%0.781SS**  trans-71.6125.4169.3-180000109V104V104-T106 WeakPolarHBondContact CG1-OG1 3.28Å
107R59.6Low49Very low215 Ų215142.6 Ų142.681%0.81177%0.769SS**  trans-129.4139.5158.2-77.8-168.3-179.7-159.61.2110
108P51.8Low49.9Very low121 Ų121147.3 Ų147.379%0.78678%0.78SS**  trans-85.1138.5-160.333.2-31.9000112.1
109F48.4Very low50.3Low196 Ų196146.7 Ų146.786%0.8677%0.766SS**  trans-82.8118.4172-150.8-93.8000108.7
110V58.6Low50.8Low125 Ų125144.2 Ų144.276%0.75876%0.76SS**  trans-92.2110.4169.6178.20000108V112V110-V112 HydrophobicContact CG1-CG2 4.14Å
111S47Very low51.3Low93 Ų93141.4 Ų141.465%0.6575%0.747SS**  trans-89.9116.4175.2-172.40000109.8
112V54.5Low51.9Low126 Ų126140.2 Ų140.276%0.76474%0.735SS**  trans-130.786.7165.6-1730000109.3V110V110-V112 HydrophobicContact CG1-CG2 4.14Å
113N46.2Very low52.5Low123 Ų123143.1 Ų143.166%0.65873%0.732SS**  23.2109.8126.3-94.4-53000118.2
114K50.2Low52.7Low179 Ų179140.3 Ų140.378%0.77872%0.718SS**  150125.6106.7-84.4154.6-175.7179.90112.5
115K46.6Very low53.3Low201 Ų201142.6 Ų142.687%0.87472%0.719SS**  trans71.3114.3154.4-66.6-177.3176.6-175.70117.9
116L45Very low53.5Low149 Ų149139 Ų13978%0.7870%0.704SS**  trans66.9100.5133.3-143.975.2000115.5
117D52.3Low54.3Low115 Ų115138.5 Ų138.562%0.61570%0.697SS**  -173.8119129.5-85.4-27.8000110.1H119 R123D117-H119 PolarHBondContact O-N 3.44Å; D117-H119 VanDerWaalsContact O-N 3.14Å; D117-R123 IonicContact OD2-CZ 3.78Å; D117-R123 IonicContact OD2-NH2 2.74Å; D117-R123 PolarHBondContact OD2-NH2 2.92Å
118K59.8Low54.4Low196 Ų196131.9 Ų131.985%0.85268%0.683SS**SBendtrans-75.993.3172.5-64.3152.2179.7-179.30106.4
119H52.1Low55Low132 Ų132130.4 Ų130.461%0.61167%0.671SS**  trans155.683.3155.6-85.4-64.1000110.6D117 A121 V122D117-H119 PolarHBondContact O-N 3.44Å; D117-H119 VanDerWaalsContact O-N 3.14Å; H119-A121 PolarHBondContact O-N 3.27Å; H119-V122 HydrophobicContact CB-CB 4.22Å; H119-V122 HydrophobicContact CB-CG2 3.87Å; H119-V122 PolarHBondContact O-N 3.47Å
120P59.1Low56.1Low113 Ų113124.8 Ų124.873%0.73465%0.65SS**Hα-helixtrans-63.8-28.8175.525.3-32.9000112.7V122P120-V122 PolarHBondContact O-N 3.2Å
121A57.6Low56.7Low60 Ų60125.4 Ų125.450%0.49665%0.645SS.*Hα-helixtrans-67.4-34.2-179.200000113.6H119 M124 F125H119-A121 PolarHBondContact O-N 3.27Å; A121-M124 PolarHBondContact O-N 2.92Å; A121-F125 VanDerWaalsContact O-CD2 3.32Å; A121-F125 WeakPolarHBondContact O-CD2 3.1Å
122V59.6Low57.9Low87 Ų87125.2 Ų125.253%0.52764%0.64SS.*Hα-helixtrans-73.6-32.1-177.7179.80000111.4H119 P120 M124 F125 Q126H119-V122 HydrophobicContact CB-CB 4.22Å; H119-V122 HydrophobicContact CB-CG2 3.87Å; H119-V122 PolarHBondContact O-N 3.47Å; P120-V122 PolarHBondContact O-N 3.2Å; V122-M124 PolarHBondContact O-N 3.39Å; V122-F125 PolarHBondContact O-N 3.21Å; V122-Q126 PolarHBondContact O-N 3.31Å
123R55.7Low58.9Low155 Ų155123.8 Ų123.859%0.58562%0.624SS**Hα-helixtrans-68.4-33176.8-76.2-168.4-177.9-165.24112.9D117 Q126 L127D117-R123 IonicContact OD2-CZ 3.78Å; D117-R123 IonicContact OD2-NH2 2.74Å; D117-R123 PolarHBondContact OD2-NH2 2.92Å; R123-Q126 PolarHBondContact O-N 3.47Å; R123-L127 WeakPolarHBondContact O-CG 3.4Å; R123-L127 PolarHBondContact O-N 2.78Å; R123-L127 VanDerWaalsContact O-N 3.14Å
124M58.9Low60.3Low136 Ų136124.6 Ų124.667%0.6762%0.624SS**Hα-helixtrans-66.7-38.9177.3-78.1-65.9-67.400112.3A121 V122 C128A121-M124 PolarHBondContact O-N 2.92Å; V122-M124 PolarHBondContact O-N 3.39Å; M124-C128 PolarHBondContact O-N 2.92Å
125F60.3Low61.5Low159 Ų159121.9 Ų121.970%0.69761%0.614SS**Hα-helixtrans-70.4-37.4175.8-76.1-73.8000112.7A121 V122 L127 C128 V129A121-F125 VanDerWaalsContact O-CD2 3.32Å; A121-F125 WeakPolarHBondContact O-CD2 3.1Å; V122-F125 PolarHBondContact O-N 3.21Å; F125-L127 PolarHBondContact O-N 3.49Å; F125-C128 PolarHBondContact O-N 3.42Å; F125-V129 WeakPolarHBondContact O-CG2 3.41Å; F125-V129 PolarHBondContact O-N 2.97Å; F125-V129 VanDerWaalsContact O-N 3.12Å
126Q58.7Low62.7Low115 Ų115117.1 Ų117.154%0.53760%0.596SS.*Hα-helixtrans-67.3-36179-161.372.149.300112.6V122 R123 N130V122-Q126 PolarHBondContact O-N 3.31Å; R123-Q126 PolarHBondContact O-N 3.47Å; Q126-N130 PolarHBondContact O-N 3.28Å; Q126-N130 PolarHBondContact O-ND2 2.91Å
127L59.4Low64.1Low112 Ų112114.3 Ų114.359%0.58658%0.582SS**Hα-helixtrans-70.9-40.7176.1-69.4173000111.7R123 F125 V129 N130 E131R123-L127 WeakPolarHBondContact O-CG 3.4Å; R123-L127 PolarHBondContact O-N 2.78Å; R123-L127 VanDerWaalsContact O-N 3.14Å; F125-L127 PolarHBondContact O-N 3.49Å; L127-V129 PolarHBondContact O-N 2.96Å; L127-N130 PolarHBondContact O-N 3.42Å; L127-E131 WeakPolarHBondContact O-CB 3.45Å; L127-E131 PolarHBondContact O-N 2.87Å
128C60.5Low65.2Low77 Ų77116.5 Ų116.552%0.5259%0.586SS.*Hα-helixtrans-67.3-35.7-179.6-152.40000112.8M124 F125 V132M124-C128 PolarHBondContact O-N 2.92Å; F125-C128 PolarHBondContact O-N 3.42Å; C128-V132 VanDerWaalsContact O-CG2 3.28Å; C128-V132 WeakPolarHBondContact O-CG2 3.45Å; C128-V132 PolarHBondContact O-N 2.94Å
129V65.3Low65.2Low89 Ų89113.7 Ų113.754%0.53958%0.576SS.*Hα-helixtrans-70.4-38.1176.1175.70000111.5F125 L127 Q133F125-V129 WeakPolarHBondContact O-CG2 3.41Å; F125-V129 PolarHBondContact O-N 2.97Å; F125-V129 VanDerWaalsContact O-N 3.12Å; L127-V129 PolarHBondContact O-N 2.96Å; V129-Q133 WeakPolarHBondContact O-CB 3.49Å; V129-Q133 PolarHBondContact O-N 3.21Å; V129-Q133 VanDerWaalsContact O-N 3.08Å
130N71.3Confident65.5Low79 Ų79114.1 Ų114.142%0.42258%0.58SS.*Hα-helixtrans-69.1-35.4177.4-78.4-17.6000112.5Q126 L127 Q134Q126-N130 PolarHBondContact O-N 3.28Å; Q126-N130 PolarHBondContact O-ND2 2.91Å; L127-N130 PolarHBondContact O-N 3.42Å; N130-Q134 WeakPolarHBondContact O-CB 3.38Å; N130-Q134 WeakPolarHBondContact O-CG 3.5Å; N130-Q134 PolarHBondContact O-N 3.3Å
131E71Confident65.5Low137 Ų137113.4 Ų113.464%0.6458%0.578SS**Hα-helixtrans-73.3-40.7-179.6-161.1157.1-166.300112L127 Q134 Q135L127-E131 WeakPolarHBondContact O-CB 3.45Å; L127-E131 PolarHBondContact O-N 2.87Å; E131-Q134 PolarHBondContact O-N 3.41Å; E131-Q135 WeakPolarHBondContact O-CB 2.96Å; E131-Q135 PolarHBondContact O-N 3.03Å
132V71.5Confident65.5Low90 Ų90117.4 Ų117.455%0.54559%0.59SS.*Hα-helixtrans-65.2-39.6173.3175.70000111.4C128 Q135 M136C128-V132 VanDerWaalsContact O-CG2 3.28Å; C128-V132 WeakPolarHBondContact O-CG2 3.45Å; C128-V132 PolarHBondContact O-N 2.94Å; V132-Q135 PolarHBondContact O-N 3.32Å; V132-M136 WeakPolarHBondContact O-CB 3.5Å; V132-M136 PolarHBondContact O-N 3.45Å
133Q76.7Confident65Low95 Ų95120.9 Ų120.944%0.44461%0.605SS.*Hα-helixtrans-67-38.9176.6-167.672.83700112.3V129 N137V129-Q133 WeakPolarHBondContact O-CB 3.49Å; V129-Q133 PolarHBondContact O-N 3.21Å; V129-Q133 VanDerWaalsContact O-N 3.08Å; Q133-N137 PolarHBondContact O-N 3.48Å; Q133-N137 VanDerWaalsContact O-N 3.09Å
134Q74.8Confident64.8Low141 Ų141117.1 Ų117.166%0.65961%0.607SS**Hα-helixtrans-67.4-39.1175.6-78.8-176.428.500112.1N130 E131 M136 N137 K138N130-Q134 WeakPolarHBondContact O-CB 3.38Å; N130-Q134 WeakPolarHBondContact O-CG 3.5Å; N130-Q134 PolarHBondContact O-N 3.3Å; E131-Q134 PolarHBondContact O-N 3.41Å; Q134-M136 VanDerWaalsContact C-N 3.35Å; Q134-N137 PolarHBondContact O-N 3.45Å; Q134-K138 WeakPolarHBondContact O-CB 3.43Å; Q134-K138 PolarHBondContact O-N 3.12Å
135Q75.7Confident64.1Low121 Ų121116.5 Ų116.557%0.56561%0.613SS**Hα-helixtrans-65.5-40.5177.9-164.6164.37.500111.4E131 V132 K138 E139E131-Q135 WeakPolarHBondContact O-CB 2.96Å; E131-Q135 PolarHBondContact O-N 3.03Å; V132-Q135 PolarHBondContact O-N 3.32Å; Q135-K138 PolarHBondContact O-N 3.19Å; Q135-E139 PolarHBondContact O-N 3.22Å; Q135-E139 VanDerWaalsContact O-N 3.08Å
136M72Confident63.9Low101 Ų101117.7 Ų117.750%0.49863%0.626SS.*Hα-helixtrans-68.2-37.4177.8-151.1178.758.100112.6V132 Q134 K138 M140V132-M136 WeakPolarHBondContact O-CB 3.5Å; V132-M136 PolarHBondContact O-N 3.45Å; Q134-M136 VanDerWaalsContact C-N 3.35Å; M136-K138 VanDerWaalsContact C-N 3.31Å; M136-K138 PolarHBondContact O-N 2.82Å; M136-M140 WeakPolarHBondContact O-CB 3.18Å; M136-M140 PolarHBondContact O-N 3.44Å; M136-M140 VanDerWaalsContact O-N 3.08Å
137N74.4Confident63Low90 Ų90123.5 Ų123.548%0.48164%0.643SS.*Hα-helixtrans-68.7-29.2173.8-77.4-14.2000113.1Q133 Q134 S141Q133-N137 PolarHBondContact O-N 3.48Å; Q133-N137 VanDerWaalsContact O-N 3.09Å; Q134-N137 PolarHBondContact O-N 3.45Å; N137-S141 PolarHBondContact O-N 3.08Å; N137-S141 PolarHBondContact O-OG 3.05Å; N137-S141 VanDerWaalsContact O-OG 3.06Å
138K74.3Confident62.3Low161 Ų161122.9 Ų122.970%0.765%0.654SS**Hα-helixtrans-76-36.7178.2-155.4170.8-173178.60111.9Q134 Q135 M136Q134-K138 WeakPolarHBondContact O-CB 3.43Å; Q134-K138 PolarHBondContact O-N 3.12Å; Q135-K138 PolarHBondContact O-N 3.19Å; M136-K138 VanDerWaalsContact C-N 3.31Å; M136-K138 PolarHBondContact O-N 2.82Å
139E60.1Low61.9Low137 Ų137123.9 Ų123.964%0.6466%0.662SS**Hα-helixtrans-74.2-32.3173.9-66.9-155166.400112.8Q135 S141 L142Q135-E139 PolarHBondContact O-N 3.22Å; Q135-E139 VanDerWaalsContact O-N 3.08Å; E139-S141 VanDerWaalsContact C-N 3.25Å; E139-S141 PolarHBondContact O-N 3.09Å; E139-L142 PolarHBondContact O-N 2.95Å
140M59.3Low61.1Low141 Ų141129.3 Ų129.370%0.69568%0.678SS**Hα-helixtrans-73-16.6177.1-155.2174.5-85.200113.3M136M136-M140 WeakPolarHBondContact O-CB 3.18Å; M136-M140 PolarHBondContact O-N 3.44Å; M136-M140 VanDerWaalsContact O-N 3.08Å
141S57.4Low59.7Low98 Ų98129.1 Ų129.169%0.68570%0.695SS**THydrogen-bonded Turntrans-90.5-5.8176.3-63.50000114.2N137 E139N137-S141 PolarHBondContact O-N 3.08Å; N137-S141 PolarHBondContact O-OG 3.05Å; N137-S141 VanDerWaalsContact O-OG 3.06Å; E139-S141 VanDerWaalsContact C-N 3.25Å; E139-S141 PolarHBondContact O-N 3.09Å
142L58Low59.1Low144 Ų144128.8 Ų128.875%0.75470%0.702SS**SBendtrans-95.31.4178.3-70174.6000113.6E139E139-L142 PolarHBondContact O-N 2.95Å
143L50.2Low57.7Low161 Ų161135.6 Ų135.684%0.84372%0.718SS**  trans-106.361.3174.5-67.9173.6000110.9
144A50.7Low57Low76 Ų76140.1 Ų140.163%0.62874%0.736SS**  trans-88.8143.7163.200000109.9L146A144-L146 PolarHBondContact O-N 3.06Å
145P45.4Very low56.2Low122 Ų122142.1 Ų142.179%0.79275%0.746SS**  trans-78113.4-162.330.1-32.6000111.8R147P145-R147 PolarHBondContact O-N 3.28Å
146L54.2Low54.6Low184 Ų184145.7 Ų145.796%0.96376%0.762SS**  trans-69.683.1163.6-71.5172.1000109.5A144A144-L146 PolarHBondContact O-N 3.06Å
147R41.7Very low53.7Low237 Ų237144.5 Ų144.589%0.89478%0.776SS**  trans-92.7100.9159.8-97.8-167173.1166.4-0.4108.6P145P145-R147 PolarHBondContact O-N 3.28Å
148A44.1Very low52.6Low99 Ų99144.5 Ų144.582%0.81879%0.788SS**  trans-172.2137150.500000111.1
149S52.1Low51.8Low98 Ų98143.9 Ų143.969%0.68580%0.798SS**  trans110.7111.9152.9-1600000117.7
150K48.7Very low51.3Low203 Ų203142.8 Ų142.888%0.88381%0.806SS**  trans58.4113.7143.8-66.6169.2-178.1173.80116.2
151G42.1Very low51Low76 Ų76141.6 Ų141.678%0.78481%0.811SS**  cis125.596.336.400000106.8
152V56.7Low51Low129 Ų129142.9 Ų142.978%0.78282%0.815SS**  trans-141.4116.9166.2-177.50000107.8F154V152-F154 HydrophobicContact CG1-CD2 3.87Å; V152-F154 HydrophobicContact CG1-CE2 3.83Å
153R43.9Very low50.7Low233 Ų233140.1 Ų140.188%0.87981%0.808SS**  trans-88.2120.6-177.7-175.4-176-163.7169.43.5107.5
154F61.4Low50.7Low191 Ų191139.1 Ų139.184%0.83880%0.803SS**  trans-131.7141.3160.7-89-79000110V152V152-F154 HydrophobicContact CG1-CD2 3.87Å; V152-F154 HydrophobicContact CG1-CE2 3.83Å
155Q56.8Low50.9Low182 Ų182143.5 Ų143.585%0.8581%0.814SS**  trans-82.2154.4-151.3-64.1-176.86.700114.3
156E43.2Very low51.3Low196 Ų196143 Ų14392%0.91681%0.811SS**  trans-36138.2164.7-115.597.8-176.700115.3
157G53Low51Low76 Ų76141.1 Ų141.178%0.78481%0.807SS**  trans-152.699.2161.500000108.7
158A50.3Low51.6Low90 Ų90135.1 Ų135.174%0.74480%0.802SS**  trans-55.6148.7-174.700000115
159V58.1Low51.4Low149 Ų149134.2 Ų134.290%0.90380%0.802SS**  -169.4146.3109.1-93.10000112.4
160S51Low51.2Low114 Ų114140.4 Ų140.480%0.79781%0.81SS**  trans-71.5158.2-166-45.40000117.1
161S52.4Low51Low116 Ų116137.6 Ų137.681%0.81181%0.81SS**  135.7151105.2-143.90000115.9
162T57.2Low51.7Low124 Ų124141.4 Ų141.476%0.76181%0.812SS**  trans80.488.4-179.5-70.50000114
163S51.7Low51.6Low87 Ų87141.5 Ų141.561%0.60881%0.813SS**  75.3118.256.9101.30000114.2
164D49.7Very low51.8Low140 Ų140142.7 Ų142.775%0.74982%0.817SS**  trans76104.7151.8-41.7-44.3000119
165I54.8Low51.2Low167 Ų167136.6 Ų136.686%0.85681%0.808SS**  -155.3130128.2-84.9132000108.5
166P55.3Low51.4Low113 Ų113137.9 Ų137.973%0.73481%0.811SS**  trans-86.6145.7-169.133.8-34.8000113.8S168P166-S168 PolarHBondContact O-N 3.18Å
167T46.1Very low52.2Low143 Ų143139.9 Ų139.988%0.87781%0.81SS**  trans-63114.1162.5-47.90000109.6
168S54.2Low52.8Low112 Ų112139.5 Ų139.578%0.78379%0.794SS**  trans-144.6122.6163.4-830000109.8P166P166-S168 PolarHBondContact O-N 3.18Å
169G40.8Very low53.8Low79 Ų79138.2 Ų138.281%0.81478%0.78SS**  trans-64.9148.5-174.300000113.3
170R48.3Very low54.4Low228 Ų228136 Ų13686%0.8677%0.767SS**  trans-150.7110148-117.1174.6176175.4-1.1109L172R170-L172 PolarHBondContact O-N 3.18Å
171T43.6Very low55.2Low144 Ų144138.4 Ų138.488%0.88376%0.763SS**  trans-42.8102.315715.10000109.7
172L57.2Low55.9Low156 Ų156139.8 Ų139.882%0.81776%0.756SS**  trans-102.9115165.5-72.6179.1000108.7R170R170-L172 PolarHBondContact O-N 3.18Å
173T54.9Low56.3Low132 Ų132143.1 Ų143.181%0.8176%0.755SS**  trans-52.5142.6177.244.80000111.6G175T173-G175 VanDerWaalsContact C-N 3.3Å; T173-G175 PolarHBondContact O-N 2.94Å
174R48.1Very low57.1Low257 Ų257144.6 Ų144.697%0.9776%0.756SS**  trans-4778.6174.2-168.9178.7-177.9-174.80.9112.5
175G49.3Very low57.5Low63 Ų63141.1 Ų141.165%0.64975%0.752SS**  trans-90.6116.2173.200000110.9T173 R177T173-G175 VanDerWaalsContact C-N 3.3Å; T173-G175 PolarHBondContact O-N 2.94Å; G175-R177 PolarHBondContact O-N 3.4Å; G175-R177 VanDerWaalsContact O-N 3.07Å
176K60.1Low58Low210 Ų210139.5 Ų139.591%0.91375%0.751SS**  trans-45.7112172.9-76.5165.1174.9175.30110.1P178K176-P178 WeakPolarHBondContact O-CD 3.31Å
177R60.3Low58.3Low237 Ų237140.2 Ų140.289%0.89476%0.755SS**PPolyproline II helixtrans-66.8120.9166.5-77.1-176.9168.6165.2-2.5107G175 S179G175-R177 PolarHBondContact O-N 3.4Å; G175-R177 VanDerWaalsContact O-N 3.07Å; R177-S179 PolarHBondContact O-N 3.44Å
178P66.2Low58.7Low69 Ų69136.8 Ų136.845%0.44875%0.748SS.*PPolyproline II helixtrans-63.1136.6177.726-31.7000108.5K176 E182K176-P178 WeakPolarHBondContact O-CD 3.31Å; P178-E182 WeakPolarHBondContact CA-OE2 3.28Å; P178-E182 HydrophobicContact CB-CB 4.39Å
179S70.9Confident58.8Low62 Ų62139.5 Ų139.543%0.43475%0.752SS.*PPolyproline II helixtrans-59.9147.8179171.30000109.6R177 F181 E182R177-S179 PolarHBondContact O-N 3.44Å; S179-F181 PolarHBondContact O-N 2.96Å; S179-F181 PolarHBondContact OG-N 3.33Å; S179-E182 PolarHBondContact N-OE2 3.46Å; S179-E182 PolarHBondContact O-N 2.86Å
180V69.4Low59.3Low104 Ų104147.6 Ų147.663%0.6376%0.758SS**Hα-helixtrans-53.3-27.7175.9176.50000111.4R183 L184V180-R183 PolarHBondContact O-N 3.18Å; V180-L184 PolarHBondContact O-N 3.16Å
181F68.2Low59.3Low164 Ų164140 Ų14072%0.71975%0.75SS**Hα-helixtrans-74.6-24.6176.5-67.8-82.3000114.4S179 R183 L184S179-F181 PolarHBondContact O-N 2.96Å; S179-F181 PolarHBondContact OG-N 3.33Å; F181-R183 VanDerWaalsContact C-N 3.26Å; F181-L184 PolarHBondContact O-N 3.41Å
182E67.4Low59.6Low144 Ų144144.9 Ų144.967%0.67375%0.753SS**Hα-helixtrans-75.9-18.4171.3-76.9165.2140.100112P178 S179P178-E182 WeakPolarHBondContact CA-OE2 3.28Å; P178-E182 HydrophobicContact CB-CB 4.39Å; S179-E182 PolarHBondContact N-OE2 3.46Å; S179-E182 PolarHBondContact O-N 2.86Å
183R64.5Low59.3Low194 Ų194149 Ų14973%0.73276%0.757SS**Hα-helixtrans-84.6-20.7174.4-64.5-178.4174.6-144.1-4.3112.9V180 F181 G185V180-R183 PolarHBondContact O-N 3.18Å; F181-R183 VanDerWaalsContact C-N 3.26Å; R183-G185 PolarHBondContact O-N 3.42Å
184L69.4Low59.2Low119 Ų119147.2 Ų147.262%0.62376%0.756SS**SBendtrans-96.780.8176-64.8173.4000107.5V180 F181 T186V180-L184 PolarHBondContact O-N 3.16Å; F181-L184 PolarHBondContact O-N 3.41Å; L184-T186 PolarHBondContact O-N 3.05Å
185G59.2Low59.2Low66 Ų66138.3 Ų138.368%0.6874%0.744SS**  trans-40.6130.2-177.100000113.1R183R183-G185 PolarHBondContact O-N 3.42Å
186T63.7Low59.3Low134 Ų134144 Ų14482%0.82276%0.759SS**  trans-43.9135.4171.920.80000111.5L184 G188L184-T186 PolarHBondContact O-N 3.05Å; T186-G188 PolarHBondContact O-N 3.31Å
187P61.7Low58.7Low127 Ų127139 Ų13983%0.82576%0.756SS**  trans-66.7104.4178.227.8-31.6000109I189P187-I189 PolarHBondContact O-N 3.13Å
188G54.9Low58.3Low71 Ų71130.9 Ų130.973%0.73275%0.747SS**PPolyproline II helixtrans-63.3121.8-177.800000112.5T186 R190T186-G188 PolarHBondContact O-N 3.31Å; G188-R190 PolarHBondContact O-N 2.96Å
189I57.1Low57.7Low169 Ų169139.2 Ų139.287%0.86777%0.771SS**PPolyproline II helixtrans-54.8121.4167.3-65.9165.8000109P187 G191P187-I189 PolarHBondContact O-N 3.13Å; I189-G191 PolarHBondContact O-N 3.2Å
190R50.5Low56.9Low250 Ų250140.3 Ų140.394%0.94379%0.792SS**PPolyproline II helixtrans-67.5123.7173.3-76.8179.2175.5-178.7-1.1110G188G188-R190 PolarHBondContact O-N 2.96Å
191G49.4Very low56.2Low67 Ų67139 Ų13969%0.69180%0.799SS**  trans-177.192.7169.600000115.5I189I189-G191 PolarHBondContact O-N 3.2Å
192R49Very low56Low248 Ų248141 Ų14194%0.93681%0.808SS**  trans40.4114.3150.9-62.6-170.3-169.3-151.64.9120.9
193R51.5Low55.7Low241 Ų241139.7 Ų139.791%0.90981%0.812SS**  163.8111.4124.3-99.3177.8168.5171.8-3.5108.2
194A52.1Low55.8Low96 Ų96134 Ų13479%0.79380%0.802SS**  69.1101.787.900000113.4
195G47.9Very low55.6Low69 Ų69134.1 Ų134.171%0.71181%0.807SS**  trans61.3112.5142.500000118.7
196L52.1Low55.6Low183 Ų183138.5 Ų138.596%0.95881%0.808SS**  -178.4139.5117.8-95.6152.5000110.7
197A47.4Very low55.2Low104 Ų104135.7 Ų135.786%0.8679%0.794SS**  trans-69.3148.6-176.500000112.5
198G51Low54.9Low67 Ų67140.7 Ų140.769%0.69180%0.796SS**  trans176.589.4174.100000114.2
199Y54Low55.1Low244 Ų244144 Ų14496%0.95780%0.796SS**  trans32.3121.2143.7-74.2-96.1000121.1
200G53.5Low54.9Low86 Ų86141.3 Ų141.389%0.88779%0.788SS**  trans87.749.1131.200000118.8
201G56.3Low54.9Low75 Ų75135.5 Ų135.577%0.77377%0.767SS**  trans-115.9119172.800000112.6
202K64.3Low55.4Low206 Ų206137.9 Ų137.990%0.89677%0.768SS**PPolyproline II helixtrans-52.1137.1174.8-63.6171.8-178.7177.20110.4S204K202-S204 PolarHBondContact O-N 2.92Å
203P61.1Low55.5Low118 Ų118131.4 Ų131.477%0.76676%0.758SS**PPolyproline II helixtrans-68.5122.4-171.426.4-32.5000111.2
204S64.8Low55.4Low74 Ų74126.6 Ų126.652%0.51775%0.75SS.*PPolyproline II helixtrans-58.2141.3168.8176.90000110.6K202 F206 S207K202-S204 PolarHBondContact O-N 2.92Å; S204-F206 PolarHBondContact O-N 3.26Å; S204-S207 WeakPolarHBondContact O-CB 3.4Å; S204-S207 PolarHBondContact O-N 3.48Å; S204-S207 PolarHBondContact O-OG 3.12Å
205V65.7Low55.7Low121 Ų121131.4 Ų131.473%0.73375%0.754SS**G310 helixtrans-54.4-23.9-178.71770000112.5
206F59.7Low55.8Low159 Ų159131 Ų13170%0.69775%0.749SS**G310 helixtrans-80.2-15.1178.6-75.3-84.6000114.9S204 R208 L209S204-F206 PolarHBondContact O-N 3.26Å; F206-R208 PolarHBondContact O-N 3.17Å; F206-R208 VanDerWaalsContact O-N 3.15Å; F206-L209 PolarHBondContact O-N 3.25Å
207S56.1Low55.8Low75 Ų75134.5 Ų134.552%0.52475%0.749SS.*G310 helixtrans-71.9-4.3175-53.30000113.1S204 L209S204-S207 WeakPolarHBondContact O-CB 3.4Å; S204-S207 PolarHBondContact O-N 3.48Å; S204-S207 PolarHBondContact O-OG 3.12Å; S207-L209 VanDerWaalsContact C-N 3.33Å
208R55.4Low56.3Low231 Ų231138.9 Ų138.987%0.87274%0.743SS**G310 helixtrans-81.2-9.4173.6-69.6-174176.4-156.8-0.7113.7F206F206-R208 PolarHBondContact O-N 3.17Å; F206-R208 VanDerWaalsContact O-N 3.15Å
209L59.2Low56.6Low142 Ų142140.8 Ų140.874%0.74374%0.744SS**SBendtrans-104.4-8.3-176.2-73.5167.2000114.5F206 S207 Y211F206-L209 PolarHBondContact O-N 3.25Å; S207-L209 VanDerWaalsContact C-N 3.33Å; L209-Y211 PolarHBondContact O-N 3.05Å
210T52.6Low56.7Low111 Ų111134.4 Ų134.468%0.68173%0.726SS**  trans-94.878.6177.152.80000110.8T212T210-T212 PolarHBondContact O-N 3.18Å
211Y50.3Low57.2Low128 Ų128136.3 Ų136.350%0.50272%0.721SS.*  trans-72.3113.6167.2-176.6-102.1000109.6L209 P213L209-Y211 PolarHBondContact O-N 3.05Å; Y211-P213 HydrophobicContact CE1-CB 4.4Å
212T58.4Low57.3Low117 Ų117140.9 Ų140.972%0.71872%0.719SS**  trans-84.4122.2170.243.40000109.3T210 N214T210-T212 PolarHBondContact O-N 3.18Å; T212-N214 PolarHBondContact O-N 3.46Å; T212-N214 VanDerWaalsContact O-N 3.09Å
213P51.5Low56.9Low113 Ų113138 Ų13873%0.73471%0.709SS**  trans-87.382.6-175.534.8-30.7000108.5Y211Y211-P213 HydrophobicContact CE1-CB 4.4Å
214N51.1Low56.6Low139 Ų139143.5 Ų143.574%0.74372%0.715SS**  trans-145.8116164.5-143.3-14.6000109.8T212T212-N214 PolarHBondContact O-N 3.46Å; T212-N214 VanDerWaalsContact O-N 3.09Å
215K57.1Low56.4Low198 Ų198146.8 Ų146.886%0.86173%0.726SS**SBendtrans78.3106.5-179.4-49.8-179.4-179-177.90115.3
216G50.1Low56.1Low59 Ų59144 Ų14461%0.60872%0.722SS**  trans107.4100.1156.800000114.7R218G216-R218 PolarHBondContact O-N 3.27Å; G216-R218 VanDerWaalsContact O-N 3.11Å
217R53.2Low56.3Low258 Ų258142.6 Ų142.697%0.97473%0.728SS**  trans-29.5111.1164.5-80.7-179.6175.5-166.3-0.9111.4
218R56.4Low56.3Low195 Ų195142.6 Ų142.674%0.73674%0.74SS**PPolyproline II helixtrans-103.8134.4161.3-74-168.1175.9-174-2109.3G216G216-R218 PolarHBondContact O-N 3.27Å; G216-R218 VanDerWaalsContact O-N 3.11Å
219P58.8Low56.5Low108 Ų108142.7 Ų142.770%0.70174%0.74SS**PPolyproline II helixtrans-70.8142.6-171.829.3-33.1000110.5V221P219-V221 PolarHBondContact O-N 3.36Å
220N55.7Low56.2Low110 Ų110145.9 Ų145.959%0.58875%0.748SS**PPolyproline II helixtrans-56.6127.6176.8-109.4-32.6000110.1F222 Q223N220-F222 PolarHBondContact O-N 3.01Å; N220-F222 VanDerWaalsContact O-N 3.07Å; N220-Q223 HydrophobicContact CB-CB 4.43Å; N220-Q223 HydrophobicContact CB-CG 4.02Å; N220-Q223 PolarHBondContact O-N 3.4Å
221V63.6Low56.3Low126 Ų126148.7 Ų148.776%0.76475%0.751SS**G310 helixtrans-57.6-21.6171.8174.50000111.3P219P219-V221 PolarHBondContact O-N 3.36Å
222F57.3Low56.5Low170 Ų170150 Ų15075%0.74676%0.762SS**G310 helixtrans-83.1-3.8174-74.4-81000115.7N220 R224N220-F222 PolarHBondContact O-N 3.01Å; N220-F222 VanDerWaalsContact O-N 3.07Å; F222-R224 VanDerWaalsContact C-N 3.33Å
223Q56.8Low55.8Low147 Ų147149.4 Ų149.469%0.68776%0.762SS**G310 helixtrans-881.4172.8-77.6178-17.500113.5N220N220-Q223 HydrophobicContact CB-CB 4.43Å; N220-Q223 HydrophobicContact CB-CG 4.02Å; N220-Q223 PolarHBondContact O-N 3.4Å
224R55.6Low55.7Low233 Ų233154 Ų15488%0.87977%0.765SS**G310 helixtrans-88-0.9174.1-81.3-175.4177.7-126.3-0.6114.5F222F222-R224 VanDerWaalsContact C-N 3.33Å
225L59Low55.4Low143 Ų143157.1 Ų157.175%0.74977%0.772SS**SBendtrans-103.6103.5172.3-63.4174.5000107.5
226G60.1Low55Low63 Ų63156.2 Ų156.265%0.64977%0.769SS**PPolyproline II helixtrans-59.9168.1-171.400000114.8G228G226-G228 PolarHBondContact O-N 3.42Å
227P65Low54.9Low129 Ų129158.7 Ų158.784%0.83877%0.772SS**PPolyproline II helixtrans-64.1126-175.426.2-32.2000110.8R229P227-R229 PolarHBondContact O-N 3.07Å
228G54.3Low54.9Low74 Ų74152.1 Ų152.176%0.76376%0.761SS**PPolyproline II helixtrans-53.9118.3176.200000111.5G226 K230G226-G228 PolarHBondContact O-N 3.42Å; G228-K230 PolarHBondContact O-N 2.94Å
229R60.3Low54.3Low234 Ų234152.4 Ų152.488%0.88376%0.763SS**  trans-70.7111.7168.6-75.1-170.8177.9-165.8-0.4108.8P227 K231P227-R229 PolarHBondContact O-N 3.07Å; R229-K231 PolarHBondContact O-N 3.27Å
230K52.7Low53.9Low208 Ų208151.2 Ų151.290%0.90476%0.763SS**  trans-65.7109158.6-65178.6178.2-179.50108.2G228G228-K230 PolarHBondContact O-N 2.94Å
231K55.8Low53.4Low171 Ų171152.2 Ų152.274%0.74377%0.773SS**  trans-147.6103.6157-76.8-161.3176.8-170.60107R229R229-K231 PolarHBondContact O-N 3.27Å
232E53.4Low52.8Low155 Ų155154.9 Ų154.972%0.72477%0.774SS**  87.9107.786.8-162.2167.2-161.300109.7R234E232-R234 PolarHBondContact O-N 3.41Å
233S43.4Very low52.2Low105 Ų105152.2 Ų152.273%0.73477%0.774SS**  trans-47.3121.3174.948.80000112.3
234R49.2Very low51.8Low208 Ų208153.1 Ų153.179%0.78578%0.783SS**  trans-162101.9150.2-109178.9-94.8-170.1-4.4108.3E232 F236E232-R234 PolarHBondContact O-N 3.41Å; R234-F236 PolarHBondContact O-N 2.96Å; R234-F236 VanDerWaalsContact O-N 3.12Å
235F46.4Very low51.3Low206 Ų206151 Ų15190%0.90478%0.78SS**  trans-66.1102.7168.3-83.4-94000108.3
236F47.8Very low50.8Low178 Ų178153.5 Ų153.578%0.78179%0.785SS**  trans-119.1102159.7-103.1-87.4000106.6R234 T238R234-F236 PolarHBondContact O-N 2.96Å; R234-F236 VanDerWaalsContact O-N 3.12Å; F236-T238 VanDerWaalsContact C-N 3.35Å; F236-T238 PolarHBondContact O-N 3.48Å; F236-T238 VanDerWaalsContact O-N 3.08Å
237T48.8Very low50Low111 Ų111154.8 Ų154.868%0.68178%0.784SS**  trans-7887.9174.9-45.70000108
238T52.3Low49.3Very low120 Ų120157.2 Ų157.274%0.73679%0.786SS**  trans-80114.3171.6-63.50000109.2F236 A240F236-T238 VanDerWaalsContact C-N 3.35Å; F236-T238 PolarHBondContact O-N 3.48Å; F236-T238 VanDerWaalsContact O-N 3.08Å; T238-A240 PolarHBondContact O-N 3.42Å
239Y44.4Very low49.2Very low201 Ų201159 Ų15979%0.78878%0.781SS**  trans-65.1111.9170.7-66.7-93.6000110
240A50.3Low48.8Very low84 Ų84151.4 Ų151.469%0.69477%0.769SS**  trans-92.697.7165.700000108.8T238 F242T238-A240 PolarHBondContact O-N 3.42Å; A240-F242 PolarHBondContact O-N 3.07Å
241V45.2Very low49Very low131 Ų131148 Ų14879%0.79476%0.761SS**  trans-72.4108.8170.4175.60000108.4
242F50.6Low49Very low182 Ų182145.8 Ų145.880%0.79876%0.757SS**  trans-92.1124.2165.4-95-86.6000109.7A240 L244A240-F242 PolarHBondContact O-N 3.07Å; F242-L244 PolarHBondContact O-N 2.97Å
243P44.1Very low49.2Very low113 Ų113142.7 Ų142.773%0.73475%0.749SS**  trans-87.7100.3175.333.1-28000109.4K245P243-K245 PolarHBondContact O-N 2.99Å
244L48.4Very low49.7Very low167 Ų167143.6 Ų143.687%0.87475%0.745SS**  trans-92.794167.8-99.6158.7000110F242 K246F242-L244 PolarHBondContact O-N 2.97Å; L244-K246 PolarHBondContact O-N 3.37Å
245K46.4Very low50.1Low187 Ų187140.5 Ų140.581%0.81374%0.737SS**  trans-60125.2160-75.1177.7174.7179.40109.5P243P243-K245 PolarHBondContact O-N 2.99Å
246K48.3Very low50.4Low197 Ų197133.4 Ų133.486%0.85772%0.716SS**  trans146.5109.4135.9-80.7167.4-178.1-1770109.5L244L244-K246 PolarHBondContact O-N 3.37Å
247S43.1Very low50.8Low90 Ų90129 Ų12963%0.62970%0.704SS**  95.2108.263.4177.40000111.9V249S247-V249 PolarHBondContact O-N 3.09Å
248M49.8Very low50.9Low180 Ų180131.8 Ų131.889%0.88771%0.707SS**  trans65.631.2140.2-71.8-17972.600122
249V52.5Low50.9Low110 Ų110131.2 Ų131.267%0.66770%0.696SS**  trans-116.5-18.9171.4-1720000114.8S247 N251S247-V249 PolarHBondContact O-N 3.09Å; V249-N251 PolarHBondContact O-N 3.24Å
250A53Low51.1Low75 Ų75128.8 Ų128.862%0.6269%0.693SS**Hα-helixtrans-75-21.5-171.800000115.5
251N55.3Low51.2Low137 Ų137133.4 Ų133.473%0.73369%0.693SS**Hα-helixtrans-90-15.3-173.2-74.9-34.4000115.2V249V249-N251 PolarHBondContact O-N 3.24Å
252N57.1Low51.6Low124 Ų124131.6 Ų131.666%0.66368%0.682SS**Hα-helixtrans-92.6-24.1179.2-72.5-21.4000113.3A256N252-A256 PolarHBondContact O-N 3.25Å
253V57Low51.8Low91 Ų91132.3 Ų132.355%0.55268%0.68SS**Hα-helixtrans-75.4-38.9177.1-1780000111K255 A256 V257V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 3.18Å; V253-A256 PolarHBondContact O-N 3.21Å; V253-V257 HydrophobicContact CG1-CG2 4.47Å; V253-V257 VanDerWaalsContact O-CG2 3.3Å; V253-V257 WeakPolarHBondContact O-CG2 3.33Å; V253-V257 PolarHBondContact O-N 3.43Å
254L54.7Low52.3Low124 Ų124132.1 Ų132.165%0.64967%0.672SS**Hα-helixtrans-66.6-31.8175.3-90.9155.7000112.7F258L254-F258 WeakPolarHBondContact O-CB 3.48Å; L254-F258 PolarHBondContact O-N 3.35Å; L254-F258 VanDerWaalsContact O-N 3.13Å
255K55.8Low52.6Low143 Ų143129.1 Ų129.162%0.62266%0.657SS**Hα-helixtrans-72.4-38175.4-150.4172.4-176.1-179.10112.1V253 E259V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 3.18Å; K255-E259 VanDerWaalsContact O-CB 3.28Å; K255-E259 WeakPolarHBondContact O-CB 3.38Å; K255-E259 PolarHBondContact O-N 2.91Å
256A53.2Low53Low57 Ų57125.2 Ų125.247%0.47165%0.653SS.*Hα-helixtrans-70-33.5175.700000113.4N252 V253 M260N252-A256 PolarHBondContact O-N 3.25Å; V253-A256 PolarHBondContact O-N 3.21Å; A256-M260 PolarHBondContact O-N 3.42Å
257V57.6Low53.2Low86 Ų86119.8 Ų119.852%0.52164%0.639SS.*Hα-helixtrans-75.8-31.6177.1174.30000112V253V253-V257 HydrophobicContact CG1-CG2 4.47Å; V253-V257 VanDerWaalsContact O-CG2 3.3Å; V253-V257 WeakPolarHBondContact O-CG2 3.33Å; V253-V257 PolarHBondContact O-N 3.43Å
258F50.6Low53.7Low168 Ų168118.7 Ų118.774%0.73763%0.63SS**Hα-helixtrans-78-30.5176.2-145.4-96.5000112.6L254L254-F258 WeakPolarHBondContact O-CB 3.48Å; L254-F258 PolarHBondContact O-N 3.35Å; L254-F258 VanDerWaalsContact O-N 3.13Å
259E52Low54.1Low108 Ų108115.5 Ų115.551%0.50562%0.616SS.*Hα-helixtrans-85.9-15.8-178.9-155.7161.6173.700113.8K255K255-E259 VanDerWaalsContact O-CB 3.28Å; K255-E259 WeakPolarHBondContact O-CB 3.38Å; K255-E259 PolarHBondContact O-N 2.91Å
260M47.6Very low54.5Low151 Ų151118.3 Ų118.374%0.74462%0.619SS**Hα-helixtrans-78.7-24.3167.8-93.1179.2-177.200113.5A256 T262A256-M260 PolarHBondContact O-N 3.42Å; M260-T262 PolarHBondContact O-N 3.4Å
261R52Low55.1Low180 Ų180121.8 Ų121.868%0.67962%0.62SS**THydrogen-bonded Turntrans-78.4-12.3-176.8-96.7-175.7-178.4177.21.4115.2L265R261-L265 WeakPolarHBondContact O-CD1 3.44Å
262T55Low55.6Low94 Ų94118.9 Ų118.958%0.57761%0.608SS**THydrogen-bonded Turntrans-92.3-7.7-177.853.20000114.2M260M260-T262 PolarHBondContact O-N 3.4Å
263R54.3Low56.3Low197 Ų197115.8 Ų115.874%0.74360%0.599SS**SBendtrans-100.4-11.5-177.4-66.8-174.2178.8135.14.1115.4
264D54.6Low57.1Low108 Ų108116.4 Ų116.458%0.57860%0.599SS**SBendtrans-110.44.9-178-79.4-39.6000115.7S266 C267 C268D264-S266 VanDerWaalsContact C-N 3.26Å; D264-S266 PolarHBondContact O-N 3.38Å; D264-C267 PolarHBondContact O-N 3.05Å; D264-C268 PolarHBondContact O-N 3.17Å; D264-C268 PolarHBondContact O-SG 3.13Å
265L55.6Low58.1Low105 Ų105114.3 Ų114.355%0.5559%0.591SS.*Hα-helixtrans-65.7-25.6-179.5-84.1149000113.4R261 I269R261-L265 WeakPolarHBondContact O-CD1 3.44Å; L265-I269 WeakPolarHBondContact O-CG1 3.32Å; L265-I269 PolarHBondContact O-N 2.69Å
266S54.6Low59.2Low105 Ų105113.4 Ų113.473%0.73459%0.592SS**Hα-helixtrans-70.7-29.5176.9-179.20000113.1D264D264-S266 VanDerWaalsContact C-N 3.26Å; D264-S266 PolarHBondContact O-N 3.38Å
267C51.3Low60.5Low82 Ų82113.4 Ų113.455%0.55459%0.589SS**Hα-helixtrans-86.7-30.1178-156.80000112D264 I269 K270D264-C267 PolarHBondContact O-N 3.05Å; C267-I269 PolarHBondContact O-N 3.38Å; C267-K270 PolarHBondContact O-N 3.12Å
268C54.5Low61.5Low67 Ų67116 Ų11645%0.45359%0.593SS.*Hα-helixtrans-69.8-29.6179.6-710000113.9D264 K270 K271 T272D264-C268 PolarHBondContact O-N 3.17Å; D264-C268 PolarHBondContact O-SG 3.13Å; C268-K270 VanDerWaalsContact C-N 3.32Å; C268-K270 PolarHBondContact O-N 2.93Å; C268-K271 PolarHBondContact O-N 3.33Å; C268-T272 WeakPolarHBondContact O-CG2 3.44Å; C268-T272 PolarHBondContact O-N 3.31Å; C268-T272 PolarHBondContact O-OG1 3.14Å
269I58.9Low63Low114 Ų114115 Ų11559%0.58559%0.589SS**Hα-helixtrans-65.6-34.8178.9-67165.1000111.5L265 C267 T272 A273L265-I269 WeakPolarHBondContact O-CG1 3.32Å; L265-I269 PolarHBondContact O-N 2.69Å; C267-I269 PolarHBondContact O-N 3.38Å; I269-T272 WeakPolarHBondContact CA-OG1 3.48Å; I269-T272 PolarHBondContact O-OG1 3.19Å; I269-T272 VanDerWaalsContact O-OG1 3.08Å; I269-A273 PolarHBondContact O-N 2.91Å
270K59.8Low64.5Low168 Ų168112.9 Ų112.973%0.7359%0.59SS**Hα-helixtrans-74.6-35.1176.7-68.5-176.1-179.5179.10112.7C267 C268 L274C267-K270 PolarHBondContact O-N 3.12Å; C268-K270 VanDerWaalsContact C-N 3.32Å; C268-K270 PolarHBondContact O-N 2.93Å; K270-L274 PolarHBondContact O-N 2.85Å
271K64.6Low66.4Low148 Ų148110 Ų11064%0.64358%0.581SS**Hα-helixtrans-71.9-37.7176.1-85.6-179.4176177.50112.4C268 L274 V275C268-K271 PolarHBondContact O-N 3.33Å; K271-L274 PolarHBondContact O-N 3.29Å; K271-V275 WeakPolarHBondContact O-CG2 3.18Å; K271-V275 PolarHBondContact O-N 2.95Å; K271-V275 VanDerWaalsContact O-N 3.1Å
272T67.8Low68Low77 Ų77108 Ų10847%0.47258%0.577SS.*Hα-helixtrans-67.9-36.8176.944.90000112.4C268 I269 L274 V275 L276C268-T272 WeakPolarHBondContact O-CG2 3.44Å; C268-T272 PolarHBondContact O-N 3.31Å; C268-T272 PolarHBondContact O-OG1 3.14Å; I269-T272 WeakPolarHBondContact CA-OG1 3.48Å; I269-T272 PolarHBondContact O-OG1 3.19Å; I269-T272 VanDerWaalsContact O-OG1 3.08Å; T272-L274 VanDerWaalsContact C-N 3.33Å; T272-L274 PolarHBondContact O-N 3.36Å; T272-V275 PolarHBondContact O-N 3.33Å; T272-L276 WeakPolarHBondContact O-CG 3.5Å; T272-L276 PolarHBondContact O-N 3.06Å
273A70.7Confident69.5Low58 Ų58106.8 Ų106.848%0.47957%0.572SS.*Hα-helixtrans-61.2-38.5173.400000113I269 S277I269-A273 PolarHBondContact O-N 2.91Å; A273-S277 PolarHBondContact O-N 2.93Å; A273-S277 PolarHBondContact O-OG 3.1Å
274L73.2Confident71.1Confident105 Ų105106 Ų10655%0.5557%0.57SS.*Hα-helixtrans-67.9-39.9174.7-96.5159.8000112.4K270 K271 T272 S277 F278K270-L274 PolarHBondContact O-N 2.85Å; K271-L274 PolarHBondContact O-N 3.29Å; T272-L274 VanDerWaalsContact C-N 3.33Å; T272-L274 PolarHBondContact O-N 3.36Å; L274-S277 PolarHBondContact O-N 3.25Å; L274-S277 PolarHBondContact O-OG 3.41Å; L274-F278 WeakPolarHBondContact O-CD2 3.49Å; L274-F278 PolarHBondContact O-N 3.42Å
275V76.5Confident72.7Confident79 Ų79105.4 Ų105.448%0.47957%0.566SS.*Hα-helixtrans-67.4-42.3177.7175.10000110.6K271 T272 S277 F278 F279K271-V275 WeakPolarHBondContact O-CG2 3.18Å; K271-V275 PolarHBondContact O-N 2.95Å; K271-V275 VanDerWaalsContact O-N 3.1Å; T272-V275 PolarHBondContact O-N 3.33Å; V275-S277 PolarHBondContact O-N 3.5Å; V275-F278 PolarHBondContact O-N 3.34Å; V275-F279 HydrophobicContact CG1-CD2 3.71Å; V275-F279 HydrophobicContact CG1-CE2 3.72Å; V275-F279 WeakPolarHBondContact O-CD2 3.49Å; V275-F279 PolarHBondContact O-N 3.04Å
276L78.9Confident74.2Confident124 Ų124103.6 Ų103.665%0.64956%0.559SS**Hα-helixtrans-64.8-38.5177.5-71.2172.7000112.6T272 F279 A280T272-L276 WeakPolarHBondContact O-CG 3.5Å; T272-L276 PolarHBondContact O-N 3.06Å; L276-F279 PolarHBondContact O-N 3.43Å; L276-A280 WeakPolarHBondContact O-CB 3.4Å; L276-A280 PolarHBondContact O-N 2.89Å
277S79.9Confident75.8Confident57 Ų57103 Ų10340%0.39955%0.547SS..Hα-helixtrans-67.4-37.4175.165.20000111.9A273 L274 V275 A280 V281A273-S277 PolarHBondContact O-N 2.93Å; A273-S277 PolarHBondContact O-OG 3.1Å; L274-S277 PolarHBondContact O-N 3.25Å; L274-S277 PolarHBondContact O-OG 3.41Å; V275-S277 PolarHBondContact O-N 3.5Å; S277-A280 PolarHBondContact O-N 2.95Å; S277-V281 VanDerWaalsContact O-CG2 3.28Å; S277-V281 WeakPolarHBondContact O-CG2 3.47Å; S277-V281 PolarHBondContact O-N 3.08Å
278F79.3Confident77.6Confident141 Ų141102.6 Ų102.662%0.61854%0.542SS*.Hα-helixtrans-62.7-45.2172.9-99.3-87.3000112.4L274 V275 V281 F282L274-F278 WeakPolarHBondContact O-CD2 3.49Å; L274-F278 PolarHBondContact O-N 3.42Å; V275-F278 PolarHBondContact O-N 3.34Å; F278-V281 PolarHBondContact O-N 3.08Å; F278-F282 WeakPolarHBondContact O-CB 3.47Å; F278-F282 PolarHBondContact O-N 3.48Å
279F81.6Confident79.1Confident147 Ų147105.3 Ų105.365%0.64555%0.548SS*.Hα-helixtrans-65.2-38.5176.7-89-79000112.6V275 L276 F282 S283V275-F279 HydrophobicContact CG1-CD2 3.71Å; V275-F279 HydrophobicContact CG1-CE2 3.72Å; V275-F279 WeakPolarHBondContact O-CD2 3.49Å; V275-F279 PolarHBondContact O-N 3.04Å; L276-F279 PolarHBondContact O-N 3.43Å; F279-F282 PolarHBondContact O-N 3.25Å; F279-S283 VanDerWaalsContact O-CB 3.25Å; F279-S283 WeakPolarHBondContact O-CB 3.15Å; F279-S283 PolarHBondContact O-N 3.06Å
280A84.3Confident80.4Confident63 Ų63104.7 Ų104.752%0.52155%0.545SS..Hα-helixtrans-63.7-43.4176.200000111.7L276 S277 W284L276-A280 WeakPolarHBondContact O-CB 3.4Å; L276-A280 PolarHBondContact O-N 2.89Å; S277-A280 PolarHBondContact O-N 2.95Å; A280-W284 WeakPolarHBondContact O-CB 3.38Å; A280-W284 PolarHBondContact O-N 3.37Å
281V87.3Confident81.6Confident92 Ų92102.8 Ų102.856%0.55854%0.537SS*.Hα-helixtrans-65.8-42.5176.5173.60000111.1S277 F278 W284 L285S277-V281 VanDerWaalsContact O-CG2 3.28Å; S277-V281 WeakPolarHBondContact O-CG2 3.47Å; S277-V281 PolarHBondContact O-N 3.08Å; F278-V281 PolarHBondContact O-N 3.08Å; V281-W284 PolarHBondContact O-N 2.82Å; V281-L285 WeakPolarHBondContact O-CB 3.2Å; V281-L285 PolarHBondContact O-N 3.49Å
282F84.4Confident82.6Confident136 Ų13699.5 Ų99.560%0.59653%0.533SS*.Hα-helixtrans-66.6-43179-127.2-88.8000112.2F278 F279 W284 L285 V286F278-F282 WeakPolarHBondContact O-CB 3.47Å; F278-F282 PolarHBondContact O-N 3.48Å; F279-F282 PolarHBondContact O-N 3.25Å; F282-W284 VanDerWaalsContact C-N 3.34Å; F282-L285 PolarHBondContact O-N 3.45Å; F282-V286 HydrophobicContact CD1-CG2 4.48Å; F282-V286 WeakPolarHBondContact O-CG2 3.45Å; F282-V286 PolarHBondContact O-N 2.81Å
283S87.2Confident83.2Confident69 Ų69100.9 Ų100.948%0.48354%0.537SS..Hα-helixtrans-63.3-42.2176.5-164.90000111F279 L285 V286 I287F279-S283 VanDerWaalsContact O-CB 3.25Å; F279-S283 WeakPolarHBondContact O-CB 3.15Å; F279-S283 PolarHBondContact O-N 3.06Å; S283-L285 PolarHBondContact O-N 3.24Å; S283-V286 PolarHBondContact O-N 2.94Å; S283-I287 WeakPolarHBondContact O-CD1 3.4Å; S283-I287 VanDerWaalsContact O-CG1 3.23Å; S283-I287 WeakPolarHBondContact O-CG1 3.37Å; S283-I287 PolarHBondContact O-N 3.33Å
284W88.3Confident83.8Confident181 Ų181103.3 Ų103.369%0.68654%0.542SS*.Hα-helixtrans-63.7-40.5175-166.559.4000112.3A280 V281 F282 I287 V288A280-W284 WeakPolarHBondContact O-CB 3.38Å; A280-W284 PolarHBondContact O-N 3.37Å; V281-W284 PolarHBondContact O-N 2.82Å; F282-W284 VanDerWaalsContact C-N 3.34Å; W284-I287 PolarHBondContact O-N 3.37Å; W284-V288 HydrophobicContact CD2-CG2 4.35Å; W284-V288 HydrophobicContact CZ2-CG2 4.48Å; W284-V288 VanDerWaalsContact O-CG2 3.28Å; W284-V288 WeakPolarHBondContact O-CG2 3.41Å; W284-V288 PolarHBondContact O-N 3.42Å
285L88.5Confident84.3Confident96 Ų96103.2 Ų103.250%0.50354%0.54SS..Hα-helixtrans-62.4-45.1176.4-153.389.9000111.7V281 F282 S283 I287 V288 E289V281-L285 WeakPolarHBondContact O-CB 3.2Å; V281-L285 PolarHBondContact O-N 3.49Å; F282-L285 PolarHBondContact O-N 3.45Å; S283-L285 PolarHBondContact O-N 3.24Å; L285-I287 VanDerWaalsContact C-N 3.34Å; L285-I287 PolarHBondContact O-N 3.08Å; L285-V288 PolarHBondContact O-N 3.43Å; L285-E289 WeakPolarHBondContact O-CB 3.4Å; L285-E289 PolarHBondContact O-N 3.36Å
286V87.1Confident84.6Confident67 Ų67103.9 Ų103.941%0.40655%0.548SS..Hα-helixtrans-63.7-40.1177.2171.70000110.9F282 S283 N290F282-V286 HydrophobicContact CD1-CG2 4.48Å; F282-V286 WeakPolarHBondContact O-CG2 3.45Å; F282-V286 PolarHBondContact O-N 2.81Å; S283-V286 PolarHBondContact O-N 2.94Å; V286-N290 WeakPolarHBondContact CG1-ND2 3.45Å; V286-N290 WeakPolarHBondContact O-CB 3.4Å; V286-N290 PolarHBondContact O-N 3.15Å; V286-N290 PolarHBondContact O-ND2 3.44Å
287I87.7Confident84.8Confident92 Ų92106.2 Ų106.247%0.47255%0.553SS.*Hα-helixtrans-64.3-45.3176.2-69164.7000110.5S283 W284 L285 E289 N290 F291S283-I287 WeakPolarHBondContact O-CD1 3.4Å; S283-I287 VanDerWaalsContact O-CG1 3.23Å; S283-I287 WeakPolarHBondContact O-CG1 3.37Å; S283-I287 PolarHBondContact O-N 3.33Å; W284-I287 PolarHBondContact O-N 3.37Å; L285-I287 VanDerWaalsContact C-N 3.34Å; L285-I287 PolarHBondContact O-N 3.08Å; I287-E289 PolarHBondContact O-N 3.35Å; I287-N290 PolarHBondContact O-N 3.38Å; I287-F291 WeakPolarHBondContact O-CB 3.3Å; I287-F291 PolarHBondContact O-N 3.48Å
288V88.5Confident84.7Confident74 Ų74108 Ų10845%0.44857%0.565SS.*Hα-helixtrans-64.1-40.6179170.80000111.6W284 L285 F291 S292W284-V288 HydrophobicContact CD2-CG2 4.35Å; W284-V288 HydrophobicContact CZ2-CG2 4.48Å; W284-V288 VanDerWaalsContact O-CG2 3.28Å; W284-V288 WeakPolarHBondContact O-CG2 3.41Å; W284-V288 PolarHBondContact O-N 3.42Å; L285-V288 PolarHBondContact O-N 3.43Å; V288-F291 PolarHBondContact O-N 3.46Å; V288-S292 WeakPolarHBondContact O-CB 3.41Å; V288-S292 PolarHBondContact O-N 3.25Å
289E86.8Confident84.4Confident124 Ų124108.1 Ų108.158%0.57957%0.572SS**Hα-helixtrans-67.9-39.1179.1-159.2169.1-166.100111.7L285 I287 L293L285-E289 WeakPolarHBondContact O-CB 3.4Å; L285-E289 PolarHBondContact O-N 3.36Å; I287-E289 PolarHBondContact O-N 3.35Å; E289-L293 PolarHBondContact O-N 3.29Å; E289-L293 VanDerWaalsContact O-N 3.15Å
290N85.6Confident83.7Confident100 Ų100113.9 Ų113.954%0.53560%0.597SS.*Hα-helixtrans-68.1-37.8172.5-79-72.6000112.6V286 I287 L293 L294V286-N290 WeakPolarHBondContact CG1-ND2 3.45Å; V286-N290 WeakPolarHBondContact O-CB 3.4Å; V286-N290 PolarHBondContact O-N 3.15Å; V286-N290 PolarHBondContact O-ND2 3.44Å; I287-N290 PolarHBondContact O-N 3.38Å; N290-L293 PolarHBondContact O-N 3.26Å; N290-L294 PolarHBondContact O-N 3.44Å
291F86.3Confident83.7Confident128 Ų128116.4 Ų116.456%0.56160%0.601SS**Hα-helixtrans-67.8-38.7177-125.1-92000111.9I287 V288 L294 I295I287-F291 WeakPolarHBondContact O-CB 3.3Å; I287-F291 PolarHBondContact O-N 3.48Å; V288-F291 PolarHBondContact O-N 3.46Å; F291-L294 WeakPolarHBondContact O-CB 3.39Å; F291-L294 PolarHBondContact O-N 3.49Å; F291-I295 HydrophobicContact CD1-CD1 4.15Å; F291-I295 HydrophobicContact CD1-CG1 4.48Å; F291-I295 WeakPolarHBondContact O-CG1 3.4Å; F291-I295 PolarHBondContact O-N 3.25Å
292S84.5Confident83.5Confident80 Ų80117.7 Ų117.756%0.55960%0.603SS**Hα-helixtrans-63.5-40.9175.8-165.30000111.7V288 L294 I295 S296V288-S292 WeakPolarHBondContact O-CB 3.41Å; V288-S292 PolarHBondContact O-N 3.25Å; S292-L294 VanDerWaalsContact C-N 3.32Å; S292-L294 PolarHBondContact O-N 3.24Å; S292-I295 PolarHBondContact O-N 3.07Å; S292-S296 WeakPolarHBondContact O-CB 3.28Å; S292-S296 PolarHBondContact O-N 3.25Å
293L81.4Confident83.4Confident106 Ų106116.7 Ų116.756%0.55560%0.604SS**Hα-helixtrans-66.3-30.9172.9-80.9164.1000113.3E289 N290 K297E289-L293 PolarHBondContact O-N 3.29Å; E289-L293 VanDerWaalsContact O-N 3.15Å; N290-L293 PolarHBondContact O-N 3.26Å; L293-K297 PolarHBondContact O-N 2.89Å
294L82.9Confident83.2Confident109 Ų109119.5 Ų119.557%0.57161%0.611SS**Hα-helixtrans-73.1-43.9176.7-152.989.2000111.4N290 F291 S292 K297 C298N290-L294 PolarHBondContact O-N 3.44Å; F291-L294 WeakPolarHBondContact O-CB 3.39Å; F291-L294 PolarHBondContact O-N 3.49Å; S292-L294 VanDerWaalsContact C-N 3.32Å; S292-L294 PolarHBondContact O-N 3.24Å; L294-K297 PolarHBondContact O-N 3.13Å; L294-C298 PolarHBondContact O-N 3.35Å
295I84.1Confident82.9Confident103 Ų103115.6 Ų115.653%0.52861%0.606SS.*Hα-helixtrans-63.7-42.9177.5-66.8169.4000110.2F291 S292 K297 C298F291-I295 HydrophobicContact CD1-CD1 4.15Å; F291-I295 HydrophobicContact CD1-CG1 4.48Å; F291-I295 WeakPolarHBondContact O-CG1 3.4Å; F291-I295 PolarHBondContact O-N 3.25Å; S292-I295 PolarHBondContact O-N 3.07Å; I295-K297 PolarHBondContact O-N 3.04Å; I295-K297 VanDerWaalsContact O-N 3.1Å; I295-C298 PolarHBondContact O-N 3.22Å
296S82.6Confident82.5Confident92 Ų92116.9 Ų116.964%0.64361%0.613SS**THydrogen-bonded Turntrans-63.6-17.2177.8-175.20000114.2S292S292-S296 WeakPolarHBondContact O-CB 3.28Å; S292-S296 PolarHBondContact O-N 3.25Å
297K81.4Confident82.2Confident173 Ų173120.5 Ų120.575%0.75263%0.628SS**THydrogen-bonded Turntrans-92.2-11.3176.3-79.3-179.3176.9175.40113.8L293 L294 I295L293-K297 PolarHBondContact O-N 2.89Å; L294-K297 PolarHBondContact O-N 3.13Å; I295-K297 PolarHBondContact O-N 3.04Å; I295-K297 VanDerWaalsContact O-N 3.1Å
298C79.2Confident81.7Confident94 Ų94122.7 Ų122.764%0.63564%0.64SS**SBendtrans-96.8-0.2-178.3-69.30000114.2L294 I295 F300L294-C298 PolarHBondContact O-N 3.35Å; I295-C298 PolarHBondContact O-N 3.22Å; C298-F300 VanDerWaalsContact C-N 3.26Å; C298-F300 PolarHBondContact O-N 3.43Å
299D73.1Confident81.2Confident145 Ų145126.8 Ų126.878%0.77566%0.656SS**  trans-86.744.8177.4-83.5-31.1000113.4
300F66.4Low80.7Confident267 Ų267127 Ų127100%1.17166%0.662SS**  trans-1340171.4-136.4-79.1000110.5C298C298-F300 VanDerWaalsContact C-N 3.26Å; C298-F300 PolarHBondContact O-N 3.43Å

Retrieved 300 of 300 residues in 446.8 ms (Link to these results)

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