A0A3Q0KDI3_SCHMA Loading...

Zinc finger protein 207

AlphaFold DB , UniProt , Accession A0A3Q0KDI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 333 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
1M54Low70.2Confident242 Ų242150.4 Ų150.4100%1.19270%0.698SS**  094.90-75.5178-11900108.9R3M1-R3 PolarHBondContact O-N 3.16Å
2G59.8Low72.3Confident80 Ų80138.1 Ų138.183%0.82564%0.641SS**  trans-70.8119.2174.200000109.4K4G2-K4 PolarHBondContact O-N 3.47Å
3R59.7Low74.2Confident246 Ų246127.5 Ų127.593%0.92859%0.592SS**  trans-64103.4168.8-78.8-178.5-176.2165.61.5107.5M1 K5M1-R3 PolarHBondContact O-N 3.16Å; R3-K5 VanDerWaalsContact C-N 3.35Å; R3-K5 PolarHBondContact O-N 3.34Å
4K61.4Low75.8Confident207 Ų207118.9 Ų118.990%0.955%0.552SS**  trans-64.5100169.3-152.4168.7-177177.90106.3G2 R6G2-K4 PolarHBondContact O-N 3.47Å; K4-R6 PolarHBondContact O-N 3.22Å; K4-R6 VanDerWaalsContact O-N 3.08Å
5K62.2Low77.2Confident181 Ų181111 Ų11179%0.78752%0.515SS*.  trans-62.5110.2178.8-175.4173.9-179.7-178.40106.4R3 K7R3-K5 VanDerWaalsContact C-N 3.35Å; R3-K5 PolarHBondContact O-N 3.34Å; K5-K7 PolarHBondContact O-N 3.01Å
6R65.8Low78.3Confident206 Ų206105.8 Ų105.878%0.77749%0.494SS*.  trans-52.8118.8167.3-78.8-163.3173-1500.6106.5K4 Q8K4-R6 PolarHBondContact O-N 3.22Å; K4-R6 VanDerWaalsContact O-N 3.08Å; R6-Q8 PolarHBondContact O-N 3.26Å; R6-Q8 VanDerWaalsContact O-N 3.12Å
7K69.3Low79.3Confident129 Ų129102.9 Ų102.956%0.56148%0.483SS*.  trans-55.6121.1171.5-70.1-179.9177.2-175.30105.3K5 L9 F98K5-K7 PolarHBondContact O-N 3.01Å; K7-L9 PolarHBondContact O-N 3.34Å; K7-F98 HydrophobicContact CB-CD1 4.26Å; K7-F98 HydrophobicContact CB-CE1 3.43Å; K7-F98 VanDerWaalsContact CB-CE1 3.43Å; K7-F98 HydrophobicContact CB-CE2 3.95Å; K7-F98 HydrophobicContact CB-CZ 3.25Å; K7-F98 HydrophobicContact CD-CD1 3.42Å; K7-F98 VanDerWaalsContact CD-CD1 3.42Å; K7-F98 HydrophobicContact CD-CE1 3.34Å; K7-F98 HydrophobicContact CD-CG 4.22Å; K7-F98 HydrophobicContact CD-CZ 4.03Å; K7-F98 HydrophobicContact CG-CD1 4.49Å; K7-F98 HydrophobicContact CG-CE1 4.04Å; K7-F98 HydrophobicContact CG-CZ 4.29Å
8Q72.4Confident80.1Confident181 Ų181104.3 Ų104.385%0.84648%0.483SS*.  trans-63.3111.5179.6-75.2176.7-2600107.3R6 K10R6-Q8 PolarHBondContact O-N 3.26Å; R6-Q8 VanDerWaalsContact O-N 3.12Å; Q8-K10 PolarHBondContact O-N 2.64Å
9L81.7Confident80.9Confident48 Ų48102.9 Ų102.925%0.25148%0.477SS..PPolyproline II helixtrans-65.8131.7174.6-78.8165.5000109.1K7 E94 F98K7-L9 PolarHBondContact O-N 3.34Å; L9-E94 HydrophobicContact CD1-CB 3.88Å; L9-E94 HydrophobicContact CD1-CG 3.8Å; L9-E94 HydrophobicContact CD2-CB 4.46Å; L9-E94 HydrophobicContact CD2-CG 4.28Å; L9-E94 HydrophobicContact CG-CG 4.44Å; L9-F98 HydrophobicContact CD1-CE2 4.32Å; L9-F98 HydrophobicContact CD2-CD2 3.86Å; L9-F98 HydrophobicContact CD2-CE1 4.48Å; L9-F98 HydrophobicContact CD2-CE2 3.09Å; L9-F98 HydrophobicContact CD2-CZ 3.45Å; L9-F98 VanDerWaalsContact CD2-CZ 3.45Å; L9-F98 HydrophobicContact CG-CE2 3.49Å; L9-F98 VanDerWaalsContact CG-CE2 3.49Å; L9-F98 HydrophobicContact CG-CZ 3.89Å
10K91.1Very high81.6Confident119 Ų11999.4 Ų99.452%0.51746%0.46SS..PPolyproline II helixtrans-63.7134.7170.6-69.9-179.9-180179.80109Q8 W12Q8-K10 PolarHBondContact O-N 2.64Å; K10-W12 PolarHBondContact O-N 3.42Å
11P94.4Very high82.2Confident15 Ų15100.5 Ų100.510%0.09747%0.47CS..PPolyproline II helixtrans-61.4139.5175.923.6-31.7000110.5F20 E23 L26 M82P11-F20 WeakPolarHBondContact CD-O 3.46Å; P11-F20 VanDerWaalsContact CG-O 3.31Å; P11-F20 WeakPolarHBondContact CG-O 3.49Å; P11-F20 PolarHBondContact O-N 3.38Å; P11-E23 HydrophobicContact CB-CB 4.47Å; P11-L26 HydrophobicContact CB-CD2 3.92Å; P11-M82 VanDerWaalsContact CA-SD 3.57Å; P11-M82 HydrophobicContact CB-CG 3.93Å; P11-M82 HydrophobicContact CB-SD 3.7Å
12W95.7Very high84.2Confident3 Ų393.6 Ų93.61%0.01144%0.437CS..BIsolated β-bridgetrans-139.3157.1-173.370.3-84.6000111.8K10 W14 N17 R18 E19 L26 I85 H93K10-W12 PolarHBondContact O-N 3.42Å; W12-W14 HydrophobicContact CH2-CB 4.25Å; W12-W14 AromaticContact CH2-CD1 3.65Å; W12-W14 HydrophobicContact CH2-CG 4.29Å; W12-W14 HydrophobicContact CZ3-CB 4.28Å; W12-N17 WeakPolarHBondContact CZ3-OD1 3.29Å; W12-R18 CarbonylContact C-O 3.42Å; W12-R18 WeakPolarHBondContact CA-O 3.41Å; W12-E19 HydrophobicContact CB-CG 4.23Å; W12-L26 WeakPolarHBondContact O-CD1 3.48Å; W12-L26 VanDerWaalsContact O-CD2 3.22Å; W12-L26 WeakPolarHBondContact O-CD2 3.44Å; W12-I85 HydrophobicContact CZ2-CD1 4.37Å; W12-I85 HydrophobicContact CZ2-CG2 4.2Å; W12-H93 AromaticContact CD1-CE1 3.59Å; W12-H93 AromaticContact CD1-ND1 3.61Å; W12-H93 AromaticContact CD2-CD2 3.41Å; W12-H93 VanDerWaalsContact CD2-CD2 3.41Å; W12-H93 AromaticContact CD2-CE1 3.83Å; W12-H93 AromaticContact CD2-CG 3.79Å; W12-H93 AromaticContact CD2-NE2 3.46Å; W12-H93 AromaticContact CE2-CD2 3.55Å; W12-H93 AromaticContact CE2-CG 3.47Å; W12-H93 VanDerWaalsContact CE2-CG 3.47Å; W12-H93 AromaticContact CE2-ND1 3.87Å; W12-H93 AromaticContact CE2-NE2 4Å; W12-H93 AromaticContact CE3-CD2 3.52Å; W12-H93 AromaticContact CE3-NE2 3.68Å; W12-H93 AromaticContact CG-CD2 3.94Å; W12-H93 AromaticContact CG-CE1 3.51Å; W12-H93 AromaticContact CG-ND1 3.92Å; W12-H93 AromaticContact CG-NE2 3.53Å; W12-H93 HydrophobicContact CH2-CB 4.24Å; W12-H93 AromaticContact CH2-CD2 3.92Å; W12-H93 HydrophobicContact CZ2-CB 3.66Å; W12-H93 AromaticContact CZ2-CD2 3.83Å; W12-H93 AromaticContact CZ2-CG 3.76Å; W12-H93 AromaticContact CZ3-CD2 3.74Å; W12-H93 AromaticContact NE1-CE1 3.97Å; W12-H93 AromaticContact NE1-CG 3.63Å; W12-H93 AromaticContact NE1-ND1 3.58Å
13C96.9Very high85.9Confident0 Ų093.7 Ų93.70%042%0.416CS..  trans-92.4113.6-178.9-1750000111.5Y15 C16 N17 R18 F20 L26 H34C13-Y15 PolarHBondContact O-N 3.29Å; C13-C16 PolarHBondContact O-N 3.42Å; C13-N17 VanDerWaalsContact O-CA 3.29Å; C13-N17 WeakPolarHBondContact O-CA 3.4Å; C13-N17 PolarHBondContact O-N 2.95Å; C13-R18 PolarHBondContact N-O 3.08Å; C13-F20 HydrophobicContact CB-CE2 3.96Å; C13-L26 VanDerWaalsContact CA-CD1 3.5Å; C13-L26 HydrophobicContact CB-CD1 3.54Å; C13-H34 VanDerWaalsContact SG-CD2 3.55Å; C13-H34 PolarHBondContact SG-NE2 3.43Å; C13-H34 VanDerWaalsContact SG-NE2 3.42Å
14W96.4Very high87.6Confident8 Ų890 Ų903%0.0341%0.407CS..THydrogen-bonded Turntrans-49.7-43.2176.2-171.477.4000113.8W12 R72 I77 I79 I85 D89W12-W14 HydrophobicContact CH2-CB 4.25Å; W12-W14 AromaticContact CH2-CD1 3.65Å; W12-W14 HydrophobicContact CH2-CG 4.29Å; W12-W14 HydrophobicContact CZ3-CB 4.28Å; W14-R72 HydrophobicContact CD2-CB 4.2Å; W14-R72 HydrophobicContact CD2-CG 4.28Å; W14-R72 HydrophobicContact CE3-CB 3.95Å; W14-R72 HydrophobicContact CH2-CB 3.72Å; W14-R72 HydrophobicContact CH2-CG 4.04Å; W14-R72 HydrophobicContact CZ2-CB 3.96Å; W14-R72 HydrophobicContact CZ2-CG 3.75Å; W14-R72 HydrophobicContact CZ3-CB 3.72Å; W14-R72 HydrophobicContact CZ3-CG 4.42Å; W14-R72 VanDerWaalsContact CZ3-O 3.26Å; W14-R72 WeakPolarHBondContact CZ3-O 2.97Å; W14-R72 WeakPolarHBondContact O-CD 3.25Å; W14-R72 PolarHBondContact O-NH1 2.79Å; W14-I77 HydrophobicContact CH2-CD1 3.71Å; W14-I77 HydrophobicContact CZ2-CD1 4.02Å; W14-I77 HydrophobicContact CZ3-CD1 4.47Å; W14-I79 HydrophobicContact CB-CD1 3.73Å; W14-I79 HydrophobicContact CD2-CD1 3.38Å; W14-I79 HydrophobicContact CE3-CD1 3.3Å; W14-I79 HydrophobicContact CG-CD1 3.6Å; W14-I79 HydrophobicContact CZ3-CD1 4.02Å; W14-I85 HydrophobicContact CB-CD1 4.35Å; W14-I85 HydrophobicContact CB-CG1 4.3Å; W14-I85 HydrophobicContact CG-CG2 4.31Å; W14-D89 VanDerWaalsContact NE1-CG 3.3Å; W14-D89 PolarHBondContact NE1-OD2 3.43Å
15Y96.9Very high89.3Confident0 Ų083.6 Ų83.60%038%0.382CS..THydrogen-bonded Turntrans-70.3-36-174.4-60-69.8000114.9C13 H34 F35 I65 A68 L69 R72 I79C13-Y15 PolarHBondContact O-N 3.29Å; Y15-H34 HydrophobicContact CD2-CB 4.14Å; Y15-H34 AromaticContact CD2-CD2 3.79Å; Y15-H34 AromaticContact CD2-CG 3.89Å; Y15-H34 HydrophobicContact CG-CB 4.42Å; Y15-H34 AromaticContact CG-CG 3.96Å; Y15-F35 HydrophobicContact CD2-CZ 4.5Å; Y15-F35 AromaticContact CE2-CE1 3.76Å; Y15-F35 HydrophobicContact CE2-CE1 3.76Å; Y15-F35 AromaticContact CE2-CZ 3.48Å; Y15-F35 HydrophobicContact CE2-CZ 3.48Å; Y15-F35 VanDerWaalsContact CE2-CZ 3.48Å; Y15-F35 AromaticContact CZ-CE1 3.82Å; Y15-F35 AromaticContact CZ-CZ 3.85Å; Y15-I65 HydrophobicContact CD1-CD1 4.04Å; Y15-I65 HydrophobicContact CD1-CG2 4.14Å; Y15-I65 HydrophobicContact CE1-CB 4.49Å; Y15-I65 HydrophobicContact CE1-CD1 3.22Å; Y15-I65 HydrophobicContact CE1-CG1 4.41Å; Y15-I65 HydrophobicContact CE1-CG2 4.31Å; Y15-A68 HydrophobicContact CD1-CB 3.99Å; Y15-A68 HydrophobicContact CG-CB 4.42Å; Y15-A68 CarbonylContact O-C 3.38Å; Y15-A68 WeakPolarHBondContact O-CA 3.1Å; Y15-L69 WeakPolarHBondContact O-CG 3.19Å; Y15-L69 PolarHBondContact O-N 3.16Å; Y15-R72 WeakPolarHBondContact CD1-O 3.22Å; Y15-I79 HydrophobicContact CE2-CB 4.4Å; Y15-I79 HydrophobicContact CE2-CD1 4.47Å
16C95.8Very high91Very high27 Ų2775 Ų7518%0.18235%0.345CS..THydrogen-bonded Turntrans-128.97-173.568.20000114.9C13 R18 H29 H34C13-C16 PolarHBondContact O-N 3.42Å; C16-R18 PolarHBondContact O-N 3.06Å; C16-R18 VanDerWaalsContact SG-CG 3.6Å; C16-H29 PolarHBondContact SG-NE2 3.38Å; C16-H34 PolarHBondContact SG-NE2 2.95Å
17N94.5Very high92.4Very high57 Ų5766.2 Ų66.231%0.30531%0.313SS..  trans56.629.4177.4-13853.1000114.8W12 C13 L69 R72 H93W12-N17 WeakPolarHBondContact CZ3-OD1 3.29Å; C13-N17 VanDerWaalsContact O-CA 3.29Å; C13-N17 WeakPolarHBondContact O-CA 3.4Å; C13-N17 PolarHBondContact O-N 2.95Å; N17-L69 HydrophobicContact CB-CD1 4.24Å; N17-R72 PolarHBondContact OD1-NH1 2.79Å; N17-H93 PolarHBondContact OD1-CD2 3.07Å
18R94.6Very high93.8Very high128 Ų12866.5 Ų66.548%0.48332%0.316SS..  trans-90.4138.7176.2-68.9-179.3-174.9-138.2-6.6110.9W12 C13 C16 F20 K33W12-R18 CarbonylContact C-O 3.42Å; W12-R18 WeakPolarHBondContact CA-O 3.41Å; C13-R18 PolarHBondContact N-O 3.08Å; C16-R18 PolarHBondContact O-N 3.06Å; C16-R18 VanDerWaalsContact SG-CG 3.6Å; R18-F20 HydrophobicContact CB-CE2 3.86Å; R18-F20 HydrophobicContact CB-CZ 3.91Å; R18-F20 WeakPolarHBondContact O-CD2 3.21Å; R18-F20 VanDerWaalsContact O-CE2 3.26Å; R18-F20 WeakPolarHBondContact O-CE2 3.45Å; R18-K33 VanDerWaalsContact NH1-NZ 3.13Å
19E94.7Very high95Very high78 Ų7858.8 Ų58.836%0.36428%0.28SS..BIsolated β-bridgetrans-95.2151.6176.6-60.9179.3134.100111.4W12 K97W12-E19 HydrophobicContact CB-CG 4.23Å; E19-K97 VanDerWaalsContact CD-CE 3.45Å; E19-K97 WeakPolarHBondContact OE1-CD 3.46Å; E19-K97 WeakPolarHBondContact OE1-CE 3.48Å; E19-K97 IonicContact OE1-NZ 2.82Å; E19-K97 PolarHBondContact OE1-NZ 3.38Å; E19-K97 IonicContact OE2-NZ 2.72Å; E19-K97 PolarHBondContact OE2-NZ 3.33Å
20F95.6Very high95.7Very high32 Ų3256.6 Ų56.614%0.1427%0.268CS..  trans-137.1154.4179.7-59.6-84.7000108.9P11 C13 R18 I25 L26 H29P11-F20 WeakPolarHBondContact CD-O 3.46Å; P11-F20 VanDerWaalsContact CG-O 3.31Å; P11-F20 WeakPolarHBondContact CG-O 3.49Å; P11-F20 PolarHBondContact O-N 3.38Å; C13-F20 HydrophobicContact CB-CE2 3.96Å; R18-F20 HydrophobicContact CB-CE2 3.86Å; R18-F20 HydrophobicContact CB-CZ 3.91Å; R18-F20 WeakPolarHBondContact O-CD2 3.21Å; R18-F20 VanDerWaalsContact O-CE2 3.26Å; R18-F20 WeakPolarHBondContact O-CE2 3.45Å; F20-I25 HydrophobicContact CB-CB 4.49Å; F20-I25 HydrophobicContact CD1-CB 4.32Å; F20-I25 HydrophobicContact CD1-CG2 3.58Å; F20-I25 HydrophobicContact CE1-CG2 4.25Å; F20-I25 HydrophobicContact CG-CG2 4.41Å; F20-L26 HydrophobicContact CB-CB 4.2Å; F20-L26 HydrophobicContact CD2-CB 3.76Å; F20-L26 HydrophobicContact CD2-CD1 3.61Å; F20-L26 HydrophobicContact CD2-CG 4.26Å; F20-L26 HydrophobicContact CE2-CB 4.47Å; F20-L26 HydrophobicContact CE2-CD1 3.66Å; F20-L26 HydrophobicContact CG-CB 4.04Å; F20-H29 HydrophobicContact CE1-CB 3.72Å; F20-H29 AromaticContact CE1-CG 3.84Å; F20-H29 HydrophobicContact CE2-CB 4.25Å; F20-H29 AromaticContact CE2-CD2 3.79Å; F20-H29 AromaticContact CE2-CG 3.95Å; F20-H29 HydrophobicContact CZ-CB 3.52Å; F20-H29 AromaticContact CZ-CD2 3.46Å; F20-H29 VanDerWaalsContact CZ-CD2 3.46Å; F20-H29 WeakPolarHBondContact CZ-CD2 3.32Å; F20-H29 AromaticContact CZ-CE1 3.87Å; F20-H29 AromaticContact CZ-CG 3.19Å; F20-H29 AromaticContact CZ-ND1 3.49Å; F20-H29 WeakPolarHBondContact CZ-ND1 3.33Å; F20-H29 AromaticContact CZ-NE2 3.89Å
21D94Very high95.9Very high124 Ų12453.5 Ų53.566%0.66326%0.255SS*.SBendtrans-77.5-31.1176.6-59.2-50.7000111.7
22D95.3Very high96Very high96 Ų9654.7 Ų54.751%0.51327%0.266SS..SBendtrans-126.5142.5-177.9-70-52.6000112.4K24 I25 L26D22-K24 PolarHBondContact O-N 2.93Å; D22-I25 HydrophobicContact CB-CB 4.46Å; D22-I25 HydrophobicContact CB-CD1 4Å; D22-I25 HydrophobicContact CB-CG1 3.99Å; D22-I25 PolarHBondContact O-N 3.33Å; D22-I25 VanDerWaalsContact O-N 3.08Å; D22-L26 PolarHBondContact O-N 3.03Å; D22-L26 VanDerWaalsContact O-N 3.1Å
23E95Very high96Very high82 Ų8258.1 Ų58.138%0.38328%0.281SS..Hα-helixtrans-61.1-31.9173.8-175.9171.8-155.600111.7P11 I25 L26 I27 M82P11-E23 HydrophobicContact CB-CB 4.47Å; E23-I25 VanDerWaalsContact C-N 3.33Å; E23-I25 PolarHBondContact O-N 3.49Å; E23-L26 WeakPolarHBondContact O-CB 3.33Å; E23-L26 PolarHBondContact O-N 3.17Å; E23-I27 HydrophobicContact CG-CD1 3.96Å; E23-I27 HydrophobicContact CG-CG1 4.36Å; E23-I27 VanDerWaalsContact O-CG1 3.25Å; E23-I27 WeakPolarHBondContact O-CG1 3.44Å; E23-I27 PolarHBondContact O-N 3.48Å; E23-M82 PolarHBondContact OE1-N 3.24Å
24K96.3Very high96Very high170 Ų17058.1 Ų58.174%0.73928%0.281SS*.Hα-helixtrans-62-40.7175.6-66.3-173.9179.1-177.70112.1D22 I27 Q28D22-K24 PolarHBondContact O-N 2.93Å; K24-I27 PolarHBondContact O-N 3.04Å; K24-Q28 WeakPolarHBondContact O-CG 3.42Å; K24-Q28 PolarHBondContact O-N 2.9Å
25I96.8Very high96Very high72 Ų7257.8 Ų57.837%0.36928%0.28SS..Hα-helixtrans-70.3-40.9178.6-58.8171.9000109.4F20 D22 E23 I27 Q28 H29F20-I25 HydrophobicContact CB-CB 4.49Å; F20-I25 HydrophobicContact CD1-CB 4.32Å; F20-I25 HydrophobicContact CD1-CG2 3.58Å; F20-I25 HydrophobicContact CE1-CG2 4.25Å; F20-I25 HydrophobicContact CG-CG2 4.41Å; D22-I25 HydrophobicContact CB-CB 4.46Å; D22-I25 HydrophobicContact CB-CD1 4Å; D22-I25 HydrophobicContact CB-CG1 3.99Å; D22-I25 PolarHBondContact O-N 3.33Å; D22-I25 VanDerWaalsContact O-N 3.08Å; E23-I25 VanDerWaalsContact C-N 3.33Å; E23-I25 PolarHBondContact O-N 3.49Å; I25-I27 PolarHBondContact O-N 3Å; I25-Q28 PolarHBondContact O-N 3.18Å; I25-H29 WeakPolarHBondContact O-CB 3.18Å; I25-H29 PolarHBondContact O-N 2.79Å
26L97.1Very high96Very high0 Ų061 Ų610%029%0.294CS..Hα-helixtrans-56.2-48172.2168.661.5000111.9P11 W12 C13 F20 D22 E23 Q28 H29 Q30 M82P11-L26 HydrophobicContact CB-CD2 3.92Å; W12-L26 WeakPolarHBondContact O-CD1 3.48Å; W12-L26 VanDerWaalsContact O-CD2 3.22Å; W12-L26 WeakPolarHBondContact O-CD2 3.44Å; C13-L26 VanDerWaalsContact CA-CD1 3.5Å; C13-L26 HydrophobicContact CB-CD1 3.54Å; F20-L26 HydrophobicContact CB-CB 4.2Å; F20-L26 HydrophobicContact CD2-CB 3.76Å; F20-L26 HydrophobicContact CD2-CD1 3.61Å; F20-L26 HydrophobicContact CD2-CG 4.26Å; F20-L26 HydrophobicContact CE2-CB 4.47Å; F20-L26 HydrophobicContact CE2-CD1 3.66Å; F20-L26 HydrophobicContact CG-CB 4.04Å; D22-L26 PolarHBondContact O-N 3.03Å; D22-L26 VanDerWaalsContact O-N 3.1Å; E23-L26 WeakPolarHBondContact O-CB 3.33Å; E23-L26 PolarHBondContact O-N 3.17Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 2.97Å; L26-H29 WeakPolarHBondContact O-CB 3.29Å; L26-H29 PolarHBondContact O-N 3.31Å; L26-Q30 HydrophobicContact CD1-CG 4.09Å; L26-Q30 WeakPolarHBondContact O-CG 3.25Å; L26-Q30 PolarHBondContact O-N 3.01Å; L26-M82 HydrophobicContact CD2-CG 4.04Å
27I96.9Very high96Very high22 Ų2259.8 Ų59.811%0.11329%0.285CS..Hα-helixtrans-60.8-44.6178.1-68.7161.7000110.3E23 K24 I25 H29 Q30 K31 Y80E23-I27 HydrophobicContact CG-CD1 3.96Å; E23-I27 HydrophobicContact CG-CG1 4.36Å; E23-I27 VanDerWaalsContact O-CG1 3.25Å; E23-I27 WeakPolarHBondContact O-CG1 3.44Å; E23-I27 PolarHBondContact O-N 3.48Å; K24-I27 PolarHBondContact O-N 3.04Å; I25-I27 PolarHBondContact O-N 3Å; I27-H29 VanDerWaalsContact C-N 3.31Å; I27-H29 PolarHBondContact O-N 3.01Å; I27-Q30 PolarHBondContact O-N 3.46Å; I27-K31 HydrophobicContact CG2-CD 4.18Å; I27-K31 VanDerWaalsContact O-CG 3.29Å; I27-K31 WeakPolarHBondContact O-CG 3.47Å; I27-K31 PolarHBondContact O-N 2.85Å; I27-Y80 HydrophobicContact CD1-CD1 4.37Å; I27-Y80 HydrophobicContact CD1-CE1 3.67Å; I27-Y80 HydrophobicContact CG1-CE1 4.33Å; I27-Y80 HydrophobicContact CG2-CE2 4Å
28Q97Very high96.1Very high134 Ų13460.4 Ų60.463%0.62629%0.292SS*.Hα-helixtrans-61.8-40.1176.4-74.3-174.3-32.100112.3K24 I25 L26 K31 A32K24-Q28 WeakPolarHBondContact O-CG 3.42Å; K24-Q28 PolarHBondContact O-N 2.9Å; I25-Q28 PolarHBondContact O-N 3.18Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 2.97Å; Q28-K31 PolarHBondContact O-N 3.12Å; Q28-A32 VanDerWaalsContact O-CB 3.29Å; Q28-A32 WeakPolarHBondContact O-CB 3.29Å; Q28-A32 PolarHBondContact O-N 3.21Å
29H97.5Very high96.1Very high20 Ų2059.4 Ų59.49%0.09329%0.29CS..Hα-helixtrans-61.4-48.5174.8166.385.4000112C16 F20 I25 L26 I27 K31 A32 K33 H34C16-H29 PolarHBondContact SG-NE2 3.38Å; F20-H29 HydrophobicContact CE1-CB 3.72Å; F20-H29 AromaticContact CE1-CG 3.84Å; F20-H29 HydrophobicContact CE2-CB 4.25Å; F20-H29 AromaticContact CE2-CD2 3.79Å; F20-H29 AromaticContact CE2-CG 3.95Å; F20-H29 HydrophobicContact CZ-CB 3.52Å; F20-H29 AromaticContact CZ-CD2 3.46Å; F20-H29 VanDerWaalsContact CZ-CD2 3.46Å; F20-H29 WeakPolarHBondContact CZ-CD2 3.32Å; F20-H29 AromaticContact CZ-CE1 3.87Å; F20-H29 AromaticContact CZ-CG 3.19Å; F20-H29 AromaticContact CZ-ND1 3.49Å; F20-H29 WeakPolarHBondContact CZ-ND1 3.33Å; F20-H29 AromaticContact CZ-NE2 3.89Å; I25-H29 WeakPolarHBondContact O-CB 3.18Å; I25-H29 PolarHBondContact O-N 2.79Å; L26-H29 WeakPolarHBondContact O-CB 3.29Å; L26-H29 PolarHBondContact O-N 3.31Å; I27-H29 VanDerWaalsContact C-N 3.31Å; I27-H29 PolarHBondContact O-N 3.01Å; H29-K31 VanDerWaalsContact C-N 3.34Å; H29-K31 PolarHBondContact O-N 3.45Å; H29-A32 PolarHBondContact O-N 3.28Å; H29-A32 VanDerWaalsContact O-N 3.13Å; H29-K33 PolarHBondContact O-N 3.15Å; H29-H34 AromaticContact NE2-CD2 3.98Å; H29-H34 AromaticContact NE2-NE2 3.45Å; H29-H34 PolarHBondContact NE2-NE2 3.47Å
30Q97.3Very high96.2Very high1 Ų158.3 Ų58.31%0.00529%0.29CS..Hα-helixtrans-55.7-48.7176.7-72.4170.7-11.200111.1L26 I27 A32 H34 F35 G81L26-Q30 HydrophobicContact CD1-CG 4.09Å; L26-Q30 WeakPolarHBondContact O-CG 3.25Å; L26-Q30 PolarHBondContact O-N 3.01Å; I27-Q30 PolarHBondContact O-N 3.46Å; Q30-A32 VanDerWaalsContact C-N 3.32Å; Q30-A32 PolarHBondContact O-N 3.22Å; Q30-H34 PolarHBondContact O-N 3.14Å; Q30-F35 HydrophobicContact CB-CD2 4.02Å; Q30-F35 HydrophobicContact CB-CE2 3.79Å; Q30-F35 PolarHBondContact O-N 3.11Å; Q30-G81 PolarHBondContact NE2-O 3.5Å
31K96.1Very high96.2Very high54 Ų5462.8 Ų62.824%0.23531%0.311CS..Hα-helixtrans-61.1-37.2176.5-67.6177.568.4178.20113.5I27 Q28 H29 L44 F45I27-K31 HydrophobicContact CG2-CD 4.18Å; I27-K31 VanDerWaalsContact O-CG 3.29Å; I27-K31 WeakPolarHBondContact O-CG 3.47Å; I27-K31 PolarHBondContact O-N 2.85Å; Q28-K31 PolarHBondContact O-N 3.12Å; H29-K31 VanDerWaalsContact C-N 3.34Å; H29-K31 PolarHBondContact O-N 3.45Å; K31-L44 WeakPolarHBondContact CG-O 3.21Å; K31-F45 HydrophobicContact CD-CD1 3.66Å; K31-F45 HydrophobicContact CD-CE1 3.75Å; K31-F45 VanDerWaalsContact CE-CE1 3.42Å; K31-F45 HydrophobicContact CG-CD1 4.27Å; K31-F45 VanDerWaalsContact NZ-CZ 3.29Å
32A95.8Very high96.3Very high40 Ų4064.5 Ų64.533%0.33131%0.308SS..Hα-helixtrans-80.4-37.7-175.700000112.9Q28 H29 Q30 K36Q28-A32 VanDerWaalsContact O-CB 3.29Å; Q28-A32 WeakPolarHBondContact O-CB 3.29Å; Q28-A32 PolarHBondContact O-N 3.21Å; H29-A32 PolarHBondContact O-N 3.28Å; H29-A32 VanDerWaalsContact O-N 3.13Å; Q30-A32 VanDerWaalsContact C-N 3.32Å; Q30-A32 PolarHBondContact O-N 3.22Å; A32-K36 WeakPolarHBondContact O-CE 3.32Å
33K96.3Very high96.4Very high76 Ų7665.4 Ų65.433%0.3331%0.308SS..Hα-helixtrans-102.3-41.6-172.3-67.7-142.7-178.3-172.70115R18 H29 N67R18-K33 VanDerWaalsContact NH1-NZ 3.13Å; H29-K33 PolarHBondContact O-N 3.15Å; K33-N67 PolarHBondContact O-ND2 2.87Å
34H96.7Very high96.4Very high0 Ų062.7 Ų62.70%030%0.295CS..THydrogen-bonded Turntrans-103.5-39.9-169.9-60.4-54.7000112C13 Y15 C16 H29 Q30 K36 L50 I65 P66 N67C13-H34 VanDerWaalsContact SG-CD2 3.55Å; C13-H34 PolarHBondContact SG-NE2 3.43Å; C13-H34 VanDerWaalsContact SG-NE2 3.42Å; Y15-H34 HydrophobicContact CD2-CB 4.14Å; Y15-H34 AromaticContact CD2-CD2 3.79Å; Y15-H34 AromaticContact CD2-CG 3.89Å; Y15-H34 HydrophobicContact CG-CB 4.42Å; Y15-H34 AromaticContact CG-CG 3.96Å; C16-H34 PolarHBondContact SG-NE2 2.95Å; H29-H34 AromaticContact NE2-CD2 3.98Å; H29-H34 AromaticContact NE2-NE2 3.45Å; H29-H34 PolarHBondContact NE2-NE2 3.47Å; Q30-H34 PolarHBondContact O-N 3.14Å; H34-K36 VanDerWaalsContact C-N 3.35Å; H34-K36 PolarHBondContact O-N 3.19Å; H34-L50 WeakPolarHBondContact O-CD2 3.46Å; H34-I65 HydrophobicContact CB-CG2 3.76Å; H34-P66 PolarHBondContact ND1-O 3.04Å; H34-P66 WeakPolarHBondContact O-CG 3.14Å; H34-N67 PolarHBondContact CE1-O 3.43Å; H34-N67 VanDerWaalsContact CE1-O 3.22Å
35F96.8Very high96.3Very high0 Ų059.8 Ų59.80%028%0.283CS..SBendtrans-99.532.8-176.1-50.1-38.3000113.3Y15 Q30 L44 F45 I65Y15-F35 HydrophobicContact CD2-CZ 4.5Å; Y15-F35 AromaticContact CE2-CE1 3.76Å; Y15-F35 HydrophobicContact CE2-CE1 3.76Å; Y15-F35 AromaticContact CE2-CZ 3.48Å; Y15-F35 HydrophobicContact CE2-CZ 3.48Å; Y15-F35 VanDerWaalsContact CE2-CZ 3.48Å; Y15-F35 AromaticContact CZ-CE1 3.82Å; Y15-F35 AromaticContact CZ-CZ 3.85Å; Q30-F35 HydrophobicContact CB-CD2 4.02Å; Q30-F35 HydrophobicContact CB-CE2 3.79Å; Q30-F35 PolarHBondContact O-N 3.11Å; F35-L44 HydrophobicContact CB-CB 4.32Å; F35-L44 VanDerWaalsContact CB-O 3.26Å; F35-L44 WeakPolarHBondContact CB-O 2.94Å; F35-L44 PolarHBondContact O-N 3.24Å; F35-F45 WeakPolarHBondContact CD2-O 3.4Å; F35-F45 WeakPolarHBondContact CE2-O 3.42Å; F35-I65 HydrophobicContact CE1-CD1 4.19Å
36K95.8Very high96.3Very high69 Ų6957.8 Ų57.830%0.327%0.274SS..BIsolated β-bridgetrans-98123.1174.7178.9-175.3-72.2-75.70109.4A32 H34A32-K36 WeakPolarHBondContact O-CE 3.32Å; H34-K36 VanDerWaalsContact C-N 3.35Å; H34-K36 PolarHBondContact O-N 3.19Å
37C96.5Very high96.2Very high0 Ų057.8 Ų57.80%027%0.274CS..  trans-60.6129.1173.5-177.40000110.3Y39 C40 H41 R42 L50 H53C37-Y39 VanDerWaalsContact C-N 3.26Å; C37-Y39 PolarHBondContact O-N 3.36Å; C37-Y39 PolarHBondContact SG-N 3.01Å; C37-Y39 VanDerWaalsContact SG-N 3.42Å; C37-C40 VanDerWaalsContact SG-SG 3.63Å; C37-H41 WeakPolarHBondContact O-CA 3.42Å; C37-H41 PolarHBondContact O-N 2.88Å; C37-R42 PolarHBondContact N-O 2.96Å; C37-L50 HydrophobicContact CB-CD1 4.2Å; C37-H53 WeakPolarHBondContact CB-NE2 3.49Å; C37-H53 PolarHBondContact SG-NE2 3.14Å; C37-H53 VanDerWaalsContact SG-NE2 3.38Å
38P95Very high96.1Very high70 Ų7058.4 Ų58.446%0.45528%0.279SS..THydrogen-bonded Turntrans-70-22.7177.426.5-32.2000113.1
39Y95.7Very high96Very high108 Ų10853.1 Ų53.142%0.42426%0.261SS..THydrogen-bonded Turntrans-93.5-41.4-174-53-74.6000114.2C37 C54 H58 E60C37-Y39 VanDerWaalsContact C-N 3.26Å; C37-Y39 PolarHBondContact O-N 3.36Å; C37-Y39 PolarHBondContact SG-N 3.01Å; C37-Y39 VanDerWaalsContact SG-N 3.42Å; Y39-C54 HydrophobicContact CE2-CB 4.49Å; Y39-H58 HydrophobicContact CD2-CB 3.97Å; Y39-H58 AromaticContact CD2-CD2 3.89Å; Y39-H58 AromaticContact CD2-CG 3.88Å; Y39-H58 HydrophobicContact CG-CB 4.2Å; Y39-H58 AromaticContact CG-CG 3.9Å; Y39-E60 HydrophobicContact CE2-CB 3.8Å; Y39-E60 HydrophobicContact CE2-CG 4.08Å; Y39-E60 WeakPolarHBondContact OH-CG 3.37Å; Y39-E60 PolarHBondContact OH-OE1 3.46Å
40C96.9Very high96Very high54 Ų5452.1 Ų52.137%0.36526%0.256SS..THydrogen-bonded Turntrans-118.13.1-179.267.60000114.5C37 R42 H53 H58C37-C40 VanDerWaalsContact SG-SG 3.63Å; C40-R42 PolarHBondContact O-N 3.13Å; C40-R42 WeakPolarHBondContact SG-CB 3.27Å; C40-H53 VanDerWaalsContact SG-CE1 3.57Å; C40-H53 PolarHBondContact SG-NE2 3.29Å; C40-H58 WeakPolarHBondContact CB-NE2 3.26Å; C40-H58 PolarHBondContact SG-NE2 3.43Å
41H95.4Very high95.9Very high126 Ų12653 Ų5358%0.58326%0.263SS*.  trans57.312.3-178-58-60.1000116.1C37C37-H41 WeakPolarHBondContact O-CA 3.42Å; C37-H41 PolarHBondContact O-N 2.88Å
42R96Very high95.9Very high160 Ų16054.5 Ų54.560%0.60427%0.272SS*.PPolyproline II helixtrans-64.2133.2173.3-171.8168.7156.4119.9-4.7109.8C37 C40 L44C37-R42 PolarHBondContact N-O 2.96Å; C40-R42 PolarHBondContact O-N 3.13Å; C40-R42 WeakPolarHBondContact SG-CB 3.27Å; R42-L44 HydrophobicContact CB-CD2 4.41Å; R42-L44 HydrophobicContact CG-CD2 4.29Å; R42-L44 WeakPolarHBondContact O-CD2 3.29Å
43K96.4Very high96Very high116 Ų11653.3 Ų53.350%0.50426%0.26SS..BIsolated β-bridgetrans-92.6121.4179.2-60.1178.4-175.3175.60109.3
44L95.8Very high96Very high24 Ų2449.7 Ų49.713%0.12624%0.244CC..PPolyproline II helixtrans-101.1173.1174.9-68.6-57.2000109K31 F35 R42 L50 H53K31-L44 WeakPolarHBondContact CG-O 3.21Å; F35-L44 HydrophobicContact CB-CB 4.32Å; F35-L44 VanDerWaalsContact CB-O 3.26Å; F35-L44 WeakPolarHBondContact CB-O 2.94Å; F35-L44 PolarHBondContact O-N 3.24Å; R42-L44 HydrophobicContact CB-CD2 4.41Å; R42-L44 HydrophobicContact CG-CD2 4.29Å; R42-L44 WeakPolarHBondContact O-CD2 3.29Å; L44-L50 HydrophobicContact CD2-CD1 3.9Å; L44-L50 HydrophobicContact CG-CD1 4.39Å; L44-H53 HydrophobicContact CD1-CB 4.34Å; L44-H53 HydrophobicContact CD2-CB 4.32Å; L44-H53 HydrophobicContact CG-CB 4.26Å
45F95.4Very high96Very high110 Ų11052.7 Ų52.748%0.48226%0.26SS..SBendtrans-102-18.9-176.5-68.4-90.7000113.7K31 F35 Y80K31-F45 HydrophobicContact CD-CD1 3.66Å; K31-F45 HydrophobicContact CD-CE1 3.75Å; K31-F45 VanDerWaalsContact CE-CE1 3.42Å; K31-F45 HydrophobicContact CG-CD1 4.27Å; K31-F45 VanDerWaalsContact NZ-CZ 3.29Å; F35-F45 WeakPolarHBondContact CD2-O 3.4Å; F35-F45 WeakPolarHBondContact CE2-O 3.42Å; F45-Y80 HydrophobicContact CD1-CE2 4.22Å
46T95.8Very high96Very high30 Ų3059.4 Ų59.418%0.18429%0.291CS..SBendtrans-145.3158.6-172.465.40000111.5G49 L50 D78T46-G49 PolarHBondContact O-N 3.38Å; T46-G49 PolarHBondContact OG1-N 3.07Å; T46-L50 PolarHBondContact O-N 3.41Å; T46-D78 WeakPolarHBondContact CB-OD1 3.48Å; T46-D78 WeakPolarHBondContact CG2-OD1 3.04Å
47G94.6Very high96.1Very high0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-61.3-50.6178.400000113.4G49 L50 S51 T75G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.94Å; G47-L50 WeakPolarHBondContact O-CB 3.2Å; G47-L50 PolarHBondContact O-N 3.04Å; G47-L50 VanDerWaalsContact O-N 3.14Å; G47-S51 PolarHBondContact O-N 3.39Å; G47-S51 VanDerWaalsContact O-N 3.11Å; G47-T75 CarbonylContact C-O 3.56Å
48P95.4Very high96.1Very high34 Ų3463.4 Ų63.422%0.22132%0.317CS..Hα-helixtrans-59.3-40.2175.4-25.833.8000112.4L50 S51 I52 T75 D78P48-L50 VanDerWaalsContact C-N 3.32Å; P48-L50 PolarHBondContact O-N 3.4Å; P48-S51 PolarHBondContact O-N 3.35Å; P48-I52 VanDerWaalsContact O-CG1 3.27Å; P48-I52 WeakPolarHBondContact O-CG1 3.11Å; P48-I52 PolarHBondContact O-N 3.46Å; P48-T75 WeakPolarHBondContact CA-O 3.31Å; P48-T75 VanDerWaalsContact CD-O 3.27Å; P48-T75 WeakPolarHBondContact CD-O 3.48Å; P48-T75 WeakPolarHBondContact CG-O 3.22Å; P48-T75 VanDerWaalsContact N-O 3.13Å; P48-D78 HydrophobicContact CG-CB 4.34Å
49G95.9Very high96.2Very high23 Ų2368.7 Ų68.724%0.23733%0.333CS..Hα-helixtrans-62.2-36.3176.600000113.3T46 G47 H53T46-G49 PolarHBondContact O-N 3.38Å; T46-G49 PolarHBondContact OG1-N 3.07Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.94Å; G49-H53 WeakPolarHBondContact O-CB 3.5Å; G49-H53 PolarHBondContact O-N 3.11Å
50L96.5Very high96.2Very high0 Ų067.9 Ų67.90%033%0.333CS..Hα-helixtrans-66.3-44.9174-176.170.6000111.9H34 C37 L44 T46 G47 P48 H53 C54 L62 P66H34-L50 WeakPolarHBondContact O-CD2 3.46Å; C37-L50 HydrophobicContact CB-CD1 4.2Å; L44-L50 HydrophobicContact CD2-CD1 3.9Å; L44-L50 HydrophobicContact CG-CD1 4.39Å; T46-L50 PolarHBondContact O-N 3.41Å; G47-L50 WeakPolarHBondContact O-CB 3.2Å; G47-L50 PolarHBondContact O-N 3.04Å; G47-L50 VanDerWaalsContact O-N 3.14Å; P48-L50 VanDerWaalsContact C-N 3.32Å; P48-L50 PolarHBondContact O-N 3.4Å; L50-H53 PolarHBondContact O-N 2.85Å; L50-C54 PolarHBondContact O-N 3.4Å; L50-C54 PolarHBondContact O-SG 3.45Å; L50-L62 HydrophobicContact CD1-CD1 4.5Å; L50-L62 HydrophobicContact CD2-CD1 3.4Å; L50-L62 VanDerWaalsContact CD2-CD1 3.4Å; L50-L62 HydrophobicContact CG-CD1 3.51Å; L50-P66 HydrophobicContact CD2-CG 4.48Å
51S96Very high96Very high19 Ų1973.1 Ų73.113%0.13335%0.35CS..Hα-helixtrans-64-46178.9-176.10000111.5G47 P48 H53 C54 N55G47-S51 PolarHBondContact O-N 3.39Å; G47-S51 VanDerWaalsContact O-N 3.11Å; P48-S51 PolarHBondContact O-N 3.35Å; S51-H53 VanDerWaalsContact C-N 3.33Å; S51-H53 PolarHBondContact O-N 2.93Å; S51-C54 PolarHBondContact O-N 3.42Å; S51-N55 WeakPolarHBondContact O-CB 3.4Å; S51-N55 PolarHBondContact O-N 3.45Å; S51-N55 PolarHBondContact O-ND2 3.13Å; S51-N55 PolarHBondContact OG-ND2 2.86Å
52I96.4Very high95.9Very high85 Ų8568 Ų6844%0.43633%0.327SS..Hα-helixtrans-60.6-44.4176.1-66.9165.5000110.7P48 C54 N55 Q56P48-I52 VanDerWaalsContact O-CG1 3.27Å; P48-I52 WeakPolarHBondContact O-CG1 3.11Å; P48-I52 PolarHBondContact O-N 3.46Å; I52-C54 PolarHBondContact O-N 3.2Å; I52-N55 PolarHBondContact O-N 3.42Å; I52-Q56 HydrophobicContact CG2-CG 4.07Å; I52-Q56 WeakPolarHBondContact O-CB 3.49Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.26Å; I52-Q56 PolarHBondContact O-N 3.31Å
53H97.2Very high95.7Very high16 Ų1666.5 Ų66.57%0.07433%0.33CS..Hα-helixtrans-60-44.9177.916865.7000112.4C37 C40 L44 G49 L50 S51 Q56 V57 H58C37-H53 WeakPolarHBondContact CB-NE2 3.49Å; C37-H53 PolarHBondContact SG-NE2 3.14Å; C37-H53 VanDerWaalsContact SG-NE2 3.38Å; C40-H53 VanDerWaalsContact SG-CE1 3.57Å; C40-H53 PolarHBondContact SG-NE2 3.29Å; L44-H53 HydrophobicContact CD1-CB 4.34Å; L44-H53 HydrophobicContact CD2-CB 4.32Å; L44-H53 HydrophobicContact CG-CB 4.26Å; G49-H53 WeakPolarHBondContact O-CB 3.5Å; G49-H53 PolarHBondContact O-N 3.11Å; L50-H53 PolarHBondContact O-N 2.85Å; S51-H53 VanDerWaalsContact C-N 3.33Å; S51-H53 PolarHBondContact O-N 2.93Å; H53-Q56 PolarHBondContact O-N 3.18Å; H53-V57 WeakPolarHBondContact ND1-CG2 3.16Å; H53-V57 WeakPolarHBondContact O-CB 3.36Å; H53-V57 PolarHBondContact O-N 2.88Å; H53-H58 AromaticContact NE2-NE2 3.86Å
54C96.9Very high95.6Very high0 Ų067.4 Ų67.40%033%0.334CS..Iπ-helixtrans-65.3-42.5178-62.30000111.4Y39 L50 S51 I52 Q56 H58 K59 E60 L62Y39-C54 HydrophobicContact CE2-CB 4.49Å; L50-C54 PolarHBondContact O-N 3.4Å; L50-C54 PolarHBondContact O-SG 3.45Å; S51-C54 PolarHBondContact O-N 3.42Å; I52-C54 PolarHBondContact O-N 3.2Å; C54-Q56 PolarHBondContact O-N 2.82Å; C54-H58 CarbonylContact O-C 3.46Å; C54-H58 WeakPolarHBondContact O-CA 3.27Å; C54-H58 WeakPolarHBondContact O-CB 3.32Å; C54-H58 PolarHBondContact O-N 3.36Å; C54-K59 PolarHBondContact O-N 3.33Å; C54-E60 CarbonylContact C-O 3.47Å; C54-E60 WeakPolarHBondContact CB-O 3.42Å; C54-E60 PolarHBondContact O-N 3.19Å; C54-E60 VanDerWaalsContact O-N 3.16Å; C54-L62 HydrophobicContact CB-CB 4.3Å
55N96.4Very high95.6Very high62 Ų6266.5 Ų66.533%0.33233%0.33SS..Iπ-helixtrans-64.7-39.8177.7-76.2-44.3000112.8S51 I52 K59 E60 K61S51-N55 WeakPolarHBondContact O-CB 3.4Å; S51-N55 PolarHBondContact O-N 3.45Å; S51-N55 PolarHBondContact O-ND2 3.13Å; S51-N55 PolarHBondContact OG-ND2 2.86Å; I52-N55 PolarHBondContact O-N 3.42Å; N55-K59 VanDerWaalsContact O-CA 3.29Å; N55-K59 WeakPolarHBondContact O-CA 3.43Å; N55-K59 PolarHBondContact O-N 3.44Å; N55-E60 WeakPolarHBondContact CA-O 3.46Å; N55-E60 PolarHBondContact N-O 3.29Å; N55-E60 VanDerWaalsContact N-O 3.17Å; N55-E60 PolarHBondContact OD1-O 3.24Å; N55-K61 VanDerWaalsContact OD1-CA 3.25Å; N55-K61 WeakPolarHBondContact OD1-CA 3.4Å; N55-K61 WeakPolarHBondContact OD1-CG 3.37Å; N55-K61 PolarHBondContact OD1-N 3.08Å
56Q97.1Very high95.5Very high141 Ų14163.2 Ų63.266%0.65932%0.319SS*.Iπ-helixtrans-83.3-43.5-175-71.2178.5-12.300113I52 H53 C54I52-Q56 HydrophobicContact CG2-CG 4.07Å; I52-Q56 WeakPolarHBondContact O-CB 3.49Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.26Å; I52-Q56 PolarHBondContact O-N 3.31Å; H53-Q56 PolarHBondContact O-N 3.18Å; C54-Q56 PolarHBondContact O-N 2.82Å
57V97.4Very high95.3Very high91 Ų9167.5 Ų67.555%0.55234%0.341SS*.Iπ-helixtrans-88.4-40.4-173.4-179.80000111.7H53H53-V57 WeakPolarHBondContact ND1-CG2 3.16Å; H53-V57 WeakPolarHBondContact O-CB 3.36Å; H53-V57 PolarHBondContact O-N 2.88Å
58H97Very high95.4Very high62 Ų6268.5 Ų68.529%0.28735%0.349SS..Iπ-helixtrans-106.5-8.9-174.1-60.5-65.9000113.3Y39 C40 H53 C54 E60Y39-H58 HydrophobicContact CD2-CB 3.97Å; Y39-H58 AromaticContact CD2-CD2 3.89Å; Y39-H58 AromaticContact CD2-CG 3.88Å; Y39-H58 HydrophobicContact CG-CB 4.2Å; Y39-H58 AromaticContact CG-CG 3.9Å; C40-H58 WeakPolarHBondContact CB-NE2 3.26Å; C40-H58 PolarHBondContact SG-NE2 3.43Å; H53-H58 AromaticContact NE2-NE2 3.86Å; C54-H58 CarbonylContact O-C 3.46Å; C54-H58 WeakPolarHBondContact O-CA 3.27Å; C54-H58 WeakPolarHBondContact O-CB 3.32Å; C54-H58 PolarHBondContact O-N 3.36Å; H58-E60 HydrophobicContact CB-CB 4.49Å; H58-E60 PolarHBondContact O-N 3.1Å
59K96.6Very high95.3Very high181 Ų18170.2 Ų70.279%0.78736%0.356SS*.  trans55.930.9-172.3-54.8-171.7-172.2-64.50112.6C54 N55C54-K59 PolarHBondContact O-N 3.33Å; N55-K59 VanDerWaalsContact O-CA 3.29Å; N55-K59 WeakPolarHBondContact O-CA 3.43Å; N55-K59 PolarHBondContact O-N 3.44Å
60E94.6Very high95.2Very high91 Ų9174.6 Ų74.643%0.42538%0.381SS..  trans-114134.6177.2-162.2115.5134.100112.1Y39 C54 N55 H58Y39-E60 HydrophobicContact CE2-CB 3.8Å; Y39-E60 HydrophobicContact CE2-CG 4.08Å; Y39-E60 WeakPolarHBondContact OH-CG 3.37Å; Y39-E60 PolarHBondContact OH-OE1 3.46Å; C54-E60 CarbonylContact C-O 3.47Å; C54-E60 WeakPolarHBondContact CB-O 3.42Å; C54-E60 PolarHBondContact O-N 3.19Å; C54-E60 VanDerWaalsContact O-N 3.16Å; N55-E60 WeakPolarHBondContact CA-O 3.46Å; N55-E60 PolarHBondContact N-O 3.29Å; N55-E60 VanDerWaalsContact N-O 3.17Å; N55-E60 PolarHBondContact OD1-O 3.24Å; H58-E60 HydrophobicContact CB-CB 4.49Å; H58-E60 PolarHBondContact O-N 3.1Å
61K93.5Very high95Very high165 Ų16580.4 Ų80.472%0.71741%0.412SS*.  trans-80.3125.3173.6-71.3-174.2176.1-1730111.1N55N55-K61 VanDerWaalsContact OD1-CA 3.25Å; N55-K61 WeakPolarHBondContact OD1-CA 3.4Å; N55-K61 WeakPolarHBondContact OD1-CG 3.37Å; N55-K61 PolarHBondContact OD1-N 3.08Å
62L93.2Very high94.8Very high19 Ų1980.3 Ų80.310%0.09941%0.408CS..  trans-103.5101.9175.3-158.4-178.1000108.9L50 C54 K64 T75L50-L62 HydrophobicContact CD1-CD1 4.5Å; L50-L62 HydrophobicContact CD2-CD1 3.4Å; L50-L62 VanDerWaalsContact CD2-CD1 3.4Å; L50-L62 HydrophobicContact CG-CD1 3.51Å; C54-L62 HydrophobicContact CB-CB 4.3Å; L62-K64 WeakPolarHBondContact CD2-O 3.14Å; L62-T75 HydrophobicContact CD2-CG2 3.94Å
63D92Very high94.8Very high128 Ų12877.3 Ų77.368%0.68439%0.394SS*.  trans-84.3-26.7-178.7-64.7-51.8000113.5
64K94.2Very high94.5Very high135 Ų13578.6 Ų78.659%0.58741%0.405SS*.SBendtrans-138.2127.7-174-64.1-177-174.6-66.60112.7L62 T73L62-K64 WeakPolarHBondContact CD2-O 3.14Å; K64-T73 HydrophobicContact CB-CG2 4.46Å
65I95.3Very high94.4Very high5 Ų579.6 Ų79.63%0.02641%0.411CS..  trans-59.5129.4176.7-68.9173.8000110.6Y15 H34 F35 A68 T73 S74 T75Y15-I65 HydrophobicContact CD1-CD1 4.04Å; Y15-I65 HydrophobicContact CD1-CG2 4.14Å; Y15-I65 HydrophobicContact CE1-CB 4.49Å; Y15-I65 HydrophobicContact CE1-CD1 3.22Å; Y15-I65 HydrophobicContact CE1-CG1 4.41Å; Y15-I65 HydrophobicContact CE1-CG2 4.31Å; H34-I65 HydrophobicContact CB-CG2 3.76Å; F35-I65 HydrophobicContact CE1-CD1 4.19Å; I65-A68 HydrophobicContact CB-CB 4.26Å; I65-A68 HydrophobicContact CG2-CB 4.19Å; I65-A68 WeakPolarHBondContact O-CB 3.22Å; I65-T73 PolarHBondContact N-O 3.42Å; I65-T73 VanDerWaalsContact N-O 3.14Å; I65-S74 WeakPolarHBondContact CD1-O 3.18Å; I65-T75 HydrophobicContact CG1-CG2 3.78Å
66P92.7Very high94.3Very high41 Ų4182.3 Ų82.327%0.26643%0.43SS..THydrogen-bonded Turntrans-65.8146.6-179.826.5-33.9000111.8H34 L50 A68H34-P66 PolarHBondContact ND1-O 3.04Å; H34-P66 WeakPolarHBondContact O-CG 3.14Å; L50-P66 HydrophobicContact CD2-CG 4.48Å; P66-A68 PolarHBondContact O-N 3.25Å; P66-A68 VanDerWaalsContact O-N 3.15Å
67N93.6Very high94.1Very high120 Ų12077.9 Ų77.964%0.64241%0.41SS*.THydrogen-bonded Turntrans6016.6-179.8-51.4-50.5000115.1K33 H34K33-N67 PolarHBondContact O-ND2 2.87Å; H34-N67 PolarHBondContact CE1-O 3.43Å; H34-N67 VanDerWaalsContact CE1-O 3.22Å
68A95.3Very high94Very high21 Ų2178 Ų7817%0.17441%0.408CS..  trans-88.5153.5173.700000111.3Y15 I65 P66 R72 T73Y15-A68 HydrophobicContact CD1-CB 3.99Å; Y15-A68 HydrophobicContact CG-CB 4.42Å; Y15-A68 CarbonylContact O-C 3.38Å; Y15-A68 WeakPolarHBondContact O-CA 3.1Å; I65-A68 HydrophobicContact CB-CB 4.26Å; I65-A68 HydrophobicContact CG2-CB 4.19Å; I65-A68 WeakPolarHBondContact O-CB 3.22Å; P66-A68 PolarHBondContact O-N 3.25Å; P66-A68 VanDerWaalsContact O-N 3.15Å; A68-R72 WeakPolarHBondContact CB-O 3.26Å; A68-T73 HydrophobicContact CB-CG2 4.24Å
69L94.5Very high94Very high69 Ų6975.1 Ų75.136%0.36139%0.394SS..  trans-60.6146170.3-67.5169.5000110Y15 N17 N71 R72 T73Y15-L69 WeakPolarHBondContact O-CG 3.19Å; Y15-L69 PolarHBondContact O-N 3.16Å; N17-L69 HydrophobicContact CB-CD1 4.24Å; L69-N71 WeakPolarHBondContact CB-OD1 3.25Å; L69-N71 PolarHBondContact O-N 3.46Å; L69-N71 VanDerWaalsContact O-N 3.11Å; L69-R72 HydrophobicContact CB-CB 4.45Å; L69-R72 CarbonylContact O-C 3.14Å; L69-R72 WeakPolarHBondContact O-CA 3.29Å; L69-R72 PolarHBondContact O-N 3.39Å; L69-T73 WeakPolarHBondContact O-CG2 3.5Å; L69-T73 PolarHBondContact O-N 3.33Å
70P93Very high93.9Very high116 Ų11671.3 Ų71.375%0.75338%0.376SS*.THydrogen-bonded Turntrans-60.5-26.2-173.423.2-34.3000114
71N91.9Very high94Very high122 Ų12267 Ų6765%0.65236%0.355SS*.THydrogen-bonded Turntrans-85.1-10.5175.261.5-23.8000113.8L69L69-N71 WeakPolarHBondContact CB-OD1 3.25Å; L69-N71 PolarHBondContact O-N 3.46Å; L69-N71 VanDerWaalsContact O-N 3.11Å
72R92.7Very high94Very high16 Ų1661.3 Ų61.36%0.0633%0.332CS..SBendtrans-128.537.7-175-64.7-172.4175.4169.2-3.1112.1W14 Y15 N17 A68 L69 D89W14-R72 HydrophobicContact CD2-CB 4.2Å; W14-R72 HydrophobicContact CD2-CG 4.28Å; W14-R72 HydrophobicContact CE3-CB 3.95Å; W14-R72 HydrophobicContact CH2-CB 3.72Å; W14-R72 HydrophobicContact CH2-CG 4.04Å; W14-R72 HydrophobicContact CZ2-CB 3.96Å; W14-R72 HydrophobicContact CZ2-CG 3.75Å; W14-R72 HydrophobicContact CZ3-CB 3.72Å; W14-R72 HydrophobicContact CZ3-CG 4.42Å; W14-R72 VanDerWaalsContact CZ3-O 3.26Å; W14-R72 WeakPolarHBondContact CZ3-O 2.97Å; W14-R72 WeakPolarHBondContact O-CD 3.25Å; W14-R72 PolarHBondContact O-NH1 2.79Å; Y15-R72 WeakPolarHBondContact CD1-O 3.22Å; N17-R72 PolarHBondContact OD1-NH1 2.79Å; A68-R72 WeakPolarHBondContact CB-O 3.26Å; L69-R72 HydrophobicContact CB-CB 4.45Å; L69-R72 CarbonylContact O-C 3.14Å; L69-R72 WeakPolarHBondContact O-CA 3.29Å; L69-R72 PolarHBondContact O-N 3.39Å; R72-D89 IonicContact CZ-OD1 3.52Å; R72-D89 IonicContact NE-OD1 3.53Å; R72-D89 IonicContact NH2-OD1 2.83Å; R72-D89 PolarHBondContact NH2-OD1 3.46Å
73T94.7Very high94.1Very high22 Ų2263.9 Ų63.914%0.13535%0.351CS..  trans-90.54.6-178.666.50000114.8K64 I65 A68 L69 T75K64-T73 HydrophobicContact CB-CG2 4.46Å; I65-T73 PolarHBondContact N-O 3.42Å; I65-T73 VanDerWaalsContact N-O 3.14Å; A68-T73 HydrophobicContact CB-CG2 4.24Å; L69-T73 WeakPolarHBondContact O-CG2 3.5Å; L69-T73 PolarHBondContact O-N 3.33Å; T73-T75 PolarHBondContact O-N 2.83Å
74S92.5Very high94.2Very high44 Ų4460 Ų6031%0.30834%0.341SS..  trans-63.2126.6-170.2-174.30000112.3I65 V76I65-S74 WeakPolarHBondContact CD1-O 3.18Å; S74-V76 PolarHBondContact OG-N 2.77Å
75T93.9Very high94.2Very high20 Ų2054 Ų5412%0.12332%0.316CS..SBendtrans-85.8-9.7176.351.70000113.4G47 P48 L62 I65 T73G47-T75 CarbonylContact C-O 3.56Å; P48-T75 WeakPolarHBondContact CA-O 3.31Å; P48-T75 VanDerWaalsContact CD-O 3.27Å; P48-T75 WeakPolarHBondContact CD-O 3.48Å; P48-T75 WeakPolarHBondContact CG-O 3.22Å; P48-T75 VanDerWaalsContact N-O 3.13Å; L62-T75 HydrophobicContact CD2-CG2 3.94Å; I65-T75 HydrophobicContact CG1-CG2 3.78Å; T73-T75 PolarHBondContact O-N 2.83Å
76V94.2Very high94.1Very high120 Ų12055.9 Ų55.973%0.72733%0.328SS*.SBendtrans-89.1-26.5-173.6-1760000111.9S74 D78S74-V76 PolarHBondContact OG-N 2.77Å; V76-D78 PolarHBondContact O-N 3.28Å
77I94Very high94Very high48 Ų4859.7 Ų59.725%0.24634%0.342CS..SBendtrans-78.3121.6-178-52.5173.8000108.8W14 I79 P86W14-I77 HydrophobicContact CH2-CD1 3.71Å; W14-I77 HydrophobicContact CZ2-CD1 4.02Å; W14-I77 HydrophobicContact CZ3-CD1 4.47Å; I77-I79 HydrophobicContact CB-CG1 4.43Å; I77-I79 HydrophobicContact CG2-CD1 4Å; I77-I79 HydrophobicContact CG2-CG1 3.68Å; I77-I79 PolarHBondContact O-N 3.43Å; I77-P86 HydrophobicContact CD1-CG 4.24Å; I77-P86 HydrophobicContact CG2-CG 4.37Å
78D95.2Very high93.9Very high94 Ų9459.5 Ų59.550%0.50335%0.346SS..  trans-87.692.3-179-165.59.5000110.8T46 P48 V76 G84T46-D78 WeakPolarHBondContact CB-OD1 3.48Å; T46-D78 WeakPolarHBondContact CG2-OD1 3.04Å; P48-D78 HydrophobicContact CG-CB 4.34Å; V76-D78 PolarHBondContact O-N 3.28Å; D78-G84 WeakPolarHBondContact O-CA 3.41Å
79I95.9Very high93.8Very high0 Ų060.3 Ų60.30%035%0.347CS..  trans-104.9124.8-179.5-55.2-179.8000109.8W14 Y15 I77 S83 I85W14-I79 HydrophobicContact CB-CD1 3.73Å; W14-I79 HydrophobicContact CD2-CD1 3.38Å; W14-I79 HydrophobicContact CE3-CD1 3.3Å; W14-I79 HydrophobicContact CG-CD1 3.6Å; W14-I79 HydrophobicContact CZ3-CD1 4.02Å; Y15-I79 HydrophobicContact CE2-CB 4.4Å; Y15-I79 HydrophobicContact CE2-CD1 4.47Å; I77-I79 HydrophobicContact CB-CG1 4.43Å; I77-I79 HydrophobicContact CG2-CD1 4Å; I77-I79 HydrophobicContact CG2-CG1 3.68Å; I77-I79 PolarHBondContact O-N 3.43Å; I79-S83 WeakPolarHBondContact CA-O 3.33Å; I79-I85 HydrophobicContact CD1-CG1 4.45Å; I79-I85 HydrophobicContact CG2-CG1 3.81Å
80Y95.8Very high93.6Very high102 Ų10259.7 Ų59.740%0.434%0.343SS..BIsolated β-bridgetrans-131110.6174.2-177.7-94.7000110.4I27 F45 M82 S83I27-Y80 HydrophobicContact CD1-CD1 4.37Å; I27-Y80 HydrophobicContact CD1-CE1 3.67Å; I27-Y80 HydrophobicContact CG1-CE1 4.33Å; I27-Y80 HydrophobicContact CG2-CE2 4Å; F45-Y80 HydrophobicContact CD1-CE2 4.22Å; Y80-M82 PolarHBondContact O-N 2.9Å; Y80-S83 PolarHBondContact N-O 2.95Å; Y80-S83 WeakPolarHBondContact O-CA 3.46Å; Y80-S83 WeakPolarHBondContact O-CB 3.41Å; Y80-S83 PolarHBondContact O-N 2.81Å
81G95.5Very high93.5Very high0 Ų058.5 Ų58.50%033%0.329CS..THydrogen-bonded Turntrans61.4-122.1-172.300000110Q30Q30-G81 PolarHBondContact NE2-O 3.5Å
82M93.8Very high93.4Very high45 Ų4555 Ų5522%0.22231%0.309CS..THydrogen-bonded Turntrans-92.6-9.6170.5-66.9-165.973.300113.9P11 E23 L26 Y80P11-M82 VanDerWaalsContact CA-SD 3.57Å; P11-M82 HydrophobicContact CB-CG 3.93Å; P11-M82 HydrophobicContact CB-SD 3.7Å; E23-M82 PolarHBondContact OE1-N 3.24Å; L26-M82 HydrophobicContact CD2-CG 4.04Å; Y80-M82 PolarHBondContact O-N 2.9Å
83S94.8Very high93.2Very high73 Ų7354.4 Ų54.451%0.5131%0.307SS..BIsolated β-bridgetrans-76.1138180-59.50000110.9I79 Y80I79-S83 WeakPolarHBondContact CA-O 3.33Å; Y80-S83 PolarHBondContact N-O 2.95Å; Y80-S83 WeakPolarHBondContact O-CA 3.46Å; Y80-S83 WeakPolarHBondContact O-CB 3.41Å; Y80-S83 PolarHBondContact O-N 2.81Å
84G93.7Very high92.9Very high46 Ų4656.3 Ų56.347%0.47431%0.314SS..THydrogen-bonded Turntrans84.32.4176.900000115.4D78D78-G84 WeakPolarHBondContact O-CA 3.41Å
85I94.5Very high92.7Very high11 Ų1161.2 Ų61.26%0.05633%0.326CS..  trans-67.9129.1169.9-58.3178.3000108.4W12 W14 I79 E87 D89 M90W12-I85 HydrophobicContact CZ2-CD1 4.37Å; W12-I85 HydrophobicContact CZ2-CG2 4.2Å; W14-I85 HydrophobicContact CB-CD1 4.35Å; W14-I85 HydrophobicContact CB-CG1 4.3Å; W14-I85 HydrophobicContact CG-CG2 4.31Å; I79-I85 HydrophobicContact CD1-CG1 4.45Å; I79-I85 HydrophobicContact CG2-CG1 3.81Å; I85-E87 PolarHBondContact O-N 3.24Å; I85-D89 HydrophobicContact CG2-CB 4.18Å; I85-M90 HydrophobicContact CB-CG 3.88Å; I85-M90 HydrophobicContact CB-SD 4.16Å; I85-M90 HydrophobicContact CG2-CG 3.58Å
86P93.3Very high92.4Very high43 Ų4364.5 Ų64.528%0.27934%0.34SS..  trans-54.7133.2175.3-25.834.5000111.8I77 V88 D89 M90I77-P86 HydrophobicContact CD1-CG 4.24Å; I77-P86 HydrophobicContact CG2-CG 4.37Å; P86-V88 PolarHBondContact O-N 3.03Å; P86-V88 VanDerWaalsContact O-N 3.12Å; P86-D89 WeakPolarHBondContact O-CB 3.44Å; P86-D89 PolarHBondContact O-N 3.22Å; P86-M90 PolarHBondContact O-N 2.97Å; P86-M90 VanDerWaalsContact O-N 3.11Å
87E91.8Very high92Very high121 Ų12161.9 Ų61.957%0.56532%0.319SS*.Hα-helixtrans-55-36.3-175.8-166.564.7-142.900112.5I85 D89 M90 I91I85-E87 PolarHBondContact O-N 3.24Å; E87-D89 VanDerWaalsContact C-N 3.32Å; E87-D89 PolarHBondContact O-N 2.89Å; E87-M90 WeakPolarHBondContact O-CB 3.49Å; E87-M90 PolarHBondContact O-N 2.82Å; E87-M90 VanDerWaalsContact O-N 3.14Å; E87-I91 HydrophobicContact CG-CD1 3.98Å; E87-I91 HydrophobicContact CG-CG1 4.47Å; E87-I91 WeakPolarHBondContact O-CG1 3.5Å; E87-I91 PolarHBondContact O-N 2.81Å
88V91.5Very high91.3Very high117 Ų11761.9 Ų61.971%0.70932%0.317SS*.Hα-helixtrans-59.1-43176.6-177.20000111.5P86 E92P86-V88 PolarHBondContact O-N 3.03Å; P86-V88 VanDerWaalsContact O-N 3.12Å; V88-E92 VanDerWaalsContact O-CB 3.22Å; V88-E92 WeakPolarHBondContact O-CB 3.09Å; V88-E92 PolarHBondContact O-N 3.48Å
89D92.4Very high90.1Very high37 Ų3759.7 Ų59.720%0.19832%0.317CS..Hα-helixtrans-73.5-29.7177.5-79.5-55.9000112.2W14 R72 I85 P86 E87 H93W14-D89 VanDerWaalsContact NE1-CG 3.3Å; W14-D89 PolarHBondContact NE1-OD2 3.43Å; R72-D89 IonicContact CZ-OD1 3.52Å; R72-D89 IonicContact NE-OD1 3.53Å; R72-D89 IonicContact NH2-OD1 2.83Å; R72-D89 PolarHBondContact NH2-OD1 3.46Å; I85-D89 HydrophobicContact CG2-CB 4.18Å; P86-D89 WeakPolarHBondContact O-CB 3.44Å; P86-D89 PolarHBondContact O-N 3.22Å; E87-D89 VanDerWaalsContact C-N 3.32Å; E87-D89 PolarHBondContact O-N 2.89Å; D89-H93 VanDerWaalsContact O-CB 3.28Å; D89-H93 WeakPolarHBondContact O-CB 3.28Å; D89-H93 PolarHBondContact O-N 2.8Å
90M90.6Very high88.3Confident56 Ų5664.8 Ų64.828%0.27634%0.344SS..Hα-helixtrans-66.6-49.1174.7-72.6-171.645.200111.6I85 P86 E87 E92 H93 E94I85-M90 HydrophobicContact CB-CG 3.88Å; I85-M90 HydrophobicContact CB-SD 4.16Å; I85-M90 HydrophobicContact CG2-CG 3.58Å; P86-M90 PolarHBondContact O-N 2.97Å; P86-M90 VanDerWaalsContact O-N 3.11Å; E87-M90 WeakPolarHBondContact O-CB 3.49Å; E87-M90 PolarHBondContact O-N 2.82Å; E87-M90 VanDerWaalsContact O-N 3.14Å; M90-E92 VanDerWaalsContact C-N 3.35Å; M90-H93 PolarHBondContact O-N 3.48Å; M90-E94 WeakPolarHBondContact O-CB 3.45Å; M90-E94 PolarHBondContact O-N 2.73Å
91I90Very high86.4Confident91 Ų9164.9 Ų64.947%0.46735%0.348SS..Hα-helixtrans-64.3-41.9177.9-64.5166.8000110.4E87 H93 E94 R95E87-I91 HydrophobicContact CG-CD1 3.98Å; E87-I91 HydrophobicContact CG-CG1 4.47Å; E87-I91 WeakPolarHBondContact O-CG1 3.5Å; E87-I91 PolarHBondContact O-N 2.81Å; I91-H93 PolarHBondContact O-N 2.64Å; I91-E94 PolarHBondContact O-N 3.38Å; I91-R95 WeakPolarHBondContact O-CB 2.81Å; I91-R95 PolarHBondContact O-N 2.72Å
92E90.2Very high84.3Confident50 Ų5068 Ų6823%0.23438%0.379CS..Hα-helixtrans-59.6-45.8175.5-178.861.9-144.100111.7V88 M90 R95 Q96V88-E92 VanDerWaalsContact O-CB 3.22Å; V88-E92 WeakPolarHBondContact O-CB 3.09Å; V88-E92 PolarHBondContact O-N 3.48Å; M90-E92 VanDerWaalsContact C-N 3.35Å; E92-R95 PolarHBondContact O-N 3.09Å; E92-R95 IonicContact OE1-CZ 2.98Å; E92-R95 IonicContact OE1-NH1 2.72Å; E92-R95 IonicContact OE1-NH2 2.64Å; E92-R95 PolarHBondContact OE1-NH2 2.99Å; E92-R95 IonicContact OE2-CZ 2.81Å; E92-R95 IonicContact OE2-NH1 3.97Å; E92-R95 PolarHBondContact OE2-NH1 3.34Å; E92-R95 IonicContact OE2-NH2 3.46Å; E92-R95 PolarHBondContact OE2-NH2 3.17Å; E92-Q96 WeakPolarHBondContact O-CB 3.3Å; E92-Q96 VanDerWaalsContact O-CG 3.3Å; E92-Q96 WeakPolarHBondContact O-CG 3.16Å; E92-Q96 PolarHBondContact O-N 3.1Å; E92-Q96 PolarHBondContact OE1-NE2 2.83Å
93H89.3Confident82.4Confident3 Ų373.8 Ų73.81%0.01441%0.406CS..Hα-helixtrans-67.6-37.9177.8-171-79.2000111.8W12 N17 D89 M90 I91 R95 Q96 K97W12-H93 AromaticContact CD1-CE1 3.59Å; W12-H93 AromaticContact CD1-ND1 3.61Å; W12-H93 AromaticContact CD2-CD2 3.41Å; W12-H93 VanDerWaalsContact CD2-CD2 3.41Å; W12-H93 AromaticContact CD2-CE1 3.83Å; W12-H93 AromaticContact CD2-CG 3.79Å; W12-H93 AromaticContact CD2-NE2 3.46Å; W12-H93 AromaticContact CE2-CD2 3.55Å; W12-H93 AromaticContact CE2-CG 3.47Å; W12-H93 VanDerWaalsContact CE2-CG 3.47Å; W12-H93 AromaticContact CE2-ND1 3.87Å; W12-H93 AromaticContact CE2-NE2 4Å; W12-H93 AromaticContact CE3-CD2 3.52Å; W12-H93 AromaticContact CE3-NE2 3.68Å; W12-H93 AromaticContact CG-CD2 3.94Å; W12-H93 AromaticContact CG-CE1 3.51Å; W12-H93 AromaticContact CG-ND1 3.92Å; W12-H93 AromaticContact CG-NE2 3.53Å; W12-H93 HydrophobicContact CH2-CB 4.24Å; W12-H93 AromaticContact CH2-CD2 3.92Å; W12-H93 HydrophobicContact CZ2-CB 3.66Å; W12-H93 AromaticContact CZ2-CD2 3.83Å; W12-H93 AromaticContact CZ2-CG 3.76Å; W12-H93 AromaticContact CZ3-CD2 3.74Å; W12-H93 AromaticContact NE1-CE1 3.97Å; W12-H93 AromaticContact NE1-CG 3.63Å; W12-H93 AromaticContact NE1-ND1 3.58Å; N17-H93 PolarHBondContact OD1-CD2 3.07Å; D89-H93 VanDerWaalsContact O-CB 3.28Å; D89-H93 WeakPolarHBondContact O-CB 3.28Å; D89-H93 PolarHBondContact O-N 2.8Å; M90-H93 PolarHBondContact O-N 3.48Å; I91-H93 PolarHBondContact O-N 2.64Å; H93-R95 VanDerWaalsContact C-N 3.32Å; H93-Q96 PolarHBondContact O-N 3.19Å; H93-K97 WeakPolarHBondContact O-CB 3.22Å; H93-K97 WeakPolarHBondContact O-CG 3.1Å; H93-K97 PolarHBondContact O-N 3.49Å
94E88.8Confident80.2Confident62 Ų6276.7 Ų76.729%0.2942%0.416SS..Hα-helixtrans-60.7-42.9173.2-174.2169.3-170.900111.1L9 M90 I91 F98L9-E94 HydrophobicContact CD1-CB 3.88Å; L9-E94 HydrophobicContact CD1-CG 3.8Å; L9-E94 HydrophobicContact CD2-CB 4.46Å; L9-E94 HydrophobicContact CD2-CG 4.28Å; L9-E94 HydrophobicContact CG-CG 4.44Å; M90-E94 WeakPolarHBondContact O-CB 3.45Å; M90-E94 PolarHBondContact O-N 2.73Å; I91-E94 PolarHBondContact O-N 3.38Å; E94-F98 HydrophobicContact CG-CD2 3.58Å; E94-F98 HydrophobicContact CG-CE2 3.95Å; E94-F98 WeakPolarHBondContact O-CB 3.21Å; E94-F98 PolarHBondContact O-N 2.84Å
95R88.5Confident78.3Confident147 Ų14782.8 Ų82.856%0.55543%0.432SS*.Hα-helixtrans-66.3-43175.6-168.2179.677.5-124.24.4112.2I91 E92 H93 K97 G99I91-R95 WeakPolarHBondContact O-CB 2.81Å; I91-R95 PolarHBondContact O-N 2.72Å; E92-R95 PolarHBondContact O-N 3.09Å; E92-R95 IonicContact OE1-CZ 2.98Å; E92-R95 IonicContact OE1-NH1 2.72Å; E92-R95 IonicContact OE1-NH2 2.64Å; E92-R95 PolarHBondContact OE1-NH2 2.99Å; E92-R95 IonicContact OE2-CZ 2.81Å; E92-R95 IonicContact OE2-NH1 3.97Å; E92-R95 PolarHBondContact OE2-NH1 3.34Å; E92-R95 IonicContact OE2-NH2 3.46Å; E92-R95 PolarHBondContact OE2-NH2 3.17Å; H93-R95 VanDerWaalsContact C-N 3.32Å; R95-K97 VanDerWaalsContact C-N 3.33Å; R95-K97 PolarHBondContact O-N 2.92Å; R95-G99 WeakPolarHBondContact O-CA 2.81Å; R95-G99 PolarHBondContact O-N 3.31Å
96Q87Confident76Confident89 Ų8986.9 Ų86.942%0.41646%0.459SS..Hα-helixtrans-68.1-32.4179-75.7177.719.900112.8E92 H93 L100E92-Q96 WeakPolarHBondContact O-CB 3.3Å; E92-Q96 VanDerWaalsContact O-CG 3.3Å; E92-Q96 WeakPolarHBondContact O-CG 3.16Å; E92-Q96 PolarHBondContact O-N 3.1Å; E92-Q96 PolarHBondContact OE1-NE2 2.83Å; H93-Q96 PolarHBondContact O-N 3.19Å; Q96-L100 WeakPolarHBondContact O-CB 3.43Å
97K84.9Confident73.9Confident64 Ų6491.1 Ų91.128%0.27849%0.487SS..Hα-helixtrans-77.9-70.4174-69.5-71.2168.4165.80109.4E19 H93 R95 G99 L100 E101E19-K97 VanDerWaalsContact CD-CE 3.45Å; E19-K97 WeakPolarHBondContact OE1-CD 3.46Å; E19-K97 WeakPolarHBondContact OE1-CE 3.48Å; E19-K97 IonicContact OE1-NZ 2.82Å; E19-K97 PolarHBondContact OE1-NZ 3.38Å; E19-K97 IonicContact OE2-NZ 2.72Å; E19-K97 PolarHBondContact OE2-NZ 3.33Å; H93-K97 WeakPolarHBondContact O-CB 3.22Å; H93-K97 WeakPolarHBondContact O-CG 3.1Å; H93-K97 PolarHBondContact O-N 3.49Å; R95-K97 VanDerWaalsContact C-N 3.33Å; R95-K97 PolarHBondContact O-N 2.92Å; K97-G99 VanDerWaalsContact C-N 3.3Å; K97-G99 PolarHBondContact O-N 2.85Å; K97-L100 PolarHBondContact O-N 3.49Å; K97-L100 VanDerWaalsContact O-N 3.1Å; K97-E101 VanDerWaalsContact C-OE1 3.23Å; K97-E101 WeakPolarHBondContact O-CG 3.39Å; K97-E101 PolarHBondContact O-N 3.32Å
98F79Confident72Confident48 Ų4893.6 Ų93.621%0.21150%0.498CS..Hα-helixtrans-69.3-21.4-172.3-64.4-53.4000115.9K7 L9 E94 E101K7-F98 HydrophobicContact CB-CD1 4.26Å; K7-F98 HydrophobicContact CB-CE1 3.43Å; K7-F98 VanDerWaalsContact CB-CE1 3.43Å; K7-F98 HydrophobicContact CB-CE2 3.95Å; K7-F98 HydrophobicContact CB-CZ 3.25Å; K7-F98 HydrophobicContact CD-CD1 3.42Å; K7-F98 VanDerWaalsContact CD-CD1 3.42Å; K7-F98 HydrophobicContact CD-CE1 3.34Å; K7-F98 HydrophobicContact CD-CG 4.22Å; K7-F98 HydrophobicContact CD-CZ 4.03Å; K7-F98 HydrophobicContact CG-CD1 4.49Å; K7-F98 HydrophobicContact CG-CE1 4.04Å; K7-F98 HydrophobicContact CG-CZ 4.29Å; L9-F98 HydrophobicContact CD1-CE2 4.32Å; L9-F98 HydrophobicContact CD2-CD2 3.86Å; L9-F98 HydrophobicContact CD2-CE1 4.48Å; L9-F98 HydrophobicContact CD2-CE2 3.09Å; L9-F98 HydrophobicContact CD2-CZ 3.45Å; L9-F98 VanDerWaalsContact CD2-CZ 3.45Å; L9-F98 HydrophobicContact CG-CE2 3.49Å; L9-F98 VanDerWaalsContact CG-CE2 3.49Å; L9-F98 HydrophobicContact CG-CZ 3.89Å; E94-F98 HydrophobicContact CG-CD2 3.58Å; E94-F98 HydrophobicContact CG-CE2 3.95Å; E94-F98 WeakPolarHBondContact O-CB 3.21Å; E94-F98 PolarHBondContact O-N 2.84Å; F98-E101 WeakPolarHBondContact CD1-OE1 3.47Å; F98-E101 PolarHBondContact N-OE1 3.02Å
99G70Confident70.1Confident49 Ų4997.6 Ų97.651%0.50551%0.506SS..THydrogen-bonded Turntrans-80.6-23.5175.400000113.4R95 K97R95-G99 WeakPolarHBondContact O-CA 2.81Å; R95-G99 PolarHBondContact O-N 3.31Å; K97-G99 VanDerWaalsContact C-N 3.3Å; K97-G99 PolarHBondContact O-N 2.85Å
100L59.2Low67.9Low106 Ų106103.8 Ų103.856%0.55554%0.538SS*.THydrogen-bonded Turntrans-94.4-31.1-179.3-146109.2000112.3Q96 K97 G102 E103Q96-L100 WeakPolarHBondContact O-CB 3.43Å; K97-L100 PolarHBondContact O-N 3.49Å; K97-L100 VanDerWaalsContact O-N 3.1Å; L100-G102 PolarHBondContact O-N 3.31Å; L100-E103 PolarHBondContact O-N 3.39Å; L100-E103 VanDerWaalsContact O-N 3.09Å
101E55.1Low65.7Low105 Ų105106 Ų10649%0.49157%0.565SS.*THydrogen-bonded Turntrans-65.8-0.9171.37.7172159.500113.4K97 F98K97-E101 VanDerWaalsContact C-OE1 3.23Å; K97-E101 WeakPolarHBondContact O-CG 3.39Å; K97-E101 PolarHBondContact O-N 3.32Å; F98-E101 WeakPolarHBondContact CD1-OE1 3.47Å; F98-E101 PolarHBondContact N-OE1 3.02Å
102G52.6Low63.7Low64 Ų64110.1 Ų110.166%0.6658%0.579SS**THydrogen-bonded Turntrans-86.8-10.8170.700000115L100L100-G102 PolarHBondContact O-N 3.31Å
103E53.9Low61.9Low168 Ų168115.3 Ų115.379%0.78560%0.604SS**SBendtrans-115.1-1.3-175.1-63.6-161.6131.400114.6L100L100-E103 PolarHBondContact O-N 3.39Å; L100-E103 VanDerWaalsContact O-N 3.09Å
104D48.7Very low59.9Low134 Ų134121.9 Ų121.972%0.71764%0.639SS**  trans-10724.2-179.7-73.8-56000114.3
105E52.9Low57.8Low173 Ų173126.5 Ų126.581%0.80866%0.66SS**SBendtrans-101.3110.4162.8-166.4173.7147.300109.3P107E105-P107 WeakPolarHBondContact O-CD 3.38Å
106P45.5Very low55.7Low98 Ų98124 Ų12464%0.63667%0.666SS**  trans-64.6125.8-177.4-1627.5000111E108P106-E108 PolarHBondContact O-N 2.93Å
107P49.6Very low54Low132 Ų132127.9 Ų127.986%0.85769%0.687SS**  trans-81.565.717334.8-32.7000109.5E105E105-P107 WeakPolarHBondContact O-CD 3.38Å
108E52.9Low52.1Low172 Ų172130 Ų13080%0.80471%0.707SS**  trans-105.575.6172.7-71.1-166.4173.200110.3P106P106-E108 PolarHBondContact O-N 2.93Å
109K51.4Low50.3Low201 Ų201136.1 Ų136.187%0.87473%0.734SS**SBendtrans-167.80.2148-114.3170.4-171.7-1770120.6
110I46.7Very low49.6Very low168 Ų168144.2 Ų144.286%0.86275%0.751SS**  trans-139.375.2179.4-50.9174.8000110.7
111A43.3Very low49.6Very low102 Ų102143.9 Ų143.984%0.84376%0.755SS**  trans-138.977.816400000108.8
112K48.8Very low49.6Very low177 Ų177144.7 Ų144.777%0.7777%0.77SS**  trans-177.6121.1160.7-108.4173.5176.1174.20102.5
113E51.8Low50.3Low160 Ų160147.5 Ų147.575%0.74878%0.776SS**  cis-175153.122.442.2-141.5125.900105.7
114D47Very low50.4Low140 Ų140144.3 Ų144.375%0.74977%0.77SS**  trans21129.3148.4-102.3-90000118.4
115E45.5Very low50.9Low160 Ų160144 Ų14475%0.74877%0.767SS**  176.2155.958.3-164.2163.9104.400107.6
116S44.6Very low51.1Low95 Ų95143.7 Ų143.766%0.66477%0.765SS**  trans-37.7137.1-178.852.90000118.1
117I50.8Low51.4Low169 Ų169145 Ų14587%0.86777%0.774SS**  trans-111.9110.3163.6-56.2175.2000109.9
118P45Very low51.4Low108 Ų108143.1 Ų143.170%0.70177%0.77SS**  trans-106.1122155.23.217.6000111.4
119F42.3Very low51.6Low177 Ų177143.1 Ų143.178%0.77677%0.774SS**  trans22.9111.6141.7-168.8-95.5000118.9
120Y55.4Low51.3Low220 Ų220138.8 Ų138.886%0.86377%0.766SS**  trans-161.9143.4141.7-105.8-83.9000110.6
121P58.7Low51.6Low99 Ų99138.6 Ų138.664%0.64376%0.76SS**PPolyproline II helixtrans-90.1171.3-173.335.3-26.1000113.1
122P55.4Low52.3Low122 Ų122139.9 Ų139.979%0.79275%0.75SS**PPolyproline II helixtrans-91.8153.3-15336.1-33.9000114.4
123P66.1Low52.4Low123 Ų123138.9 Ų138.980%0.79975%0.748SS**PPolyproline II helixtrans-99.7156.816436.2-29.3000112.7
124P55.5Low52.3Low101 Ų101136.4 Ų136.466%0.65675%0.748SS**  trans-117.4156.5-166.340.6-25.6000114.6
125I59.5Low52.6Low128 Ų128137.9 Ų137.966%0.65676%0.755SS**  trans66.5135.2158.1-22113.6000114.6
126H58.6Low52.8Low166 Ų166136.2 Ų136.277%0.76976%0.76SS**  cis-161.6163.543.1-52.4-99.6000112.2
127P51.2Low53.6Low124 Ų124136.8 Ų136.881%0.80576%0.761SS**  trans-109.2153.5-166.438.3-27.1000114.4
128A48.2Very low54Low94 Ų94134.1 Ų134.178%0.77776%0.755SS**  trans-157.1106.3159.800000113.1
129L57.6Low54.6Low172 Ų172137.7 Ų137.790%0.90176%0.764SS**  trans64.2138.8140.7-77157.2000123.9
130P45.7Very low55.6Low109 Ų109133.3 Ų133.371%0.70876%0.761SS**  trans-109.4158.9-175.541.9-31.2000114.1
131F53.8Low55.7Low164 Ų164128.3 Ų128.372%0.71976%0.755SS**  trans-166.9152157.3-156.8-128.6000113.6
132M56Low55.4Low129 Ų129133.5 Ų133.564%0.63577%0.768SS**  trans79.1109.1172.8-44-84.656.700114.4
133Q51.4Low55.3Low156 Ų156131.7 Ų131.773%0.72977%0.772SS**  cis58.3122.930.259.4177.3-29.800118.3
134S49.7Very low54.4Low108 Ų108134.2 Ų134.276%0.75577%0.773SS**  trans90.6115.6159.7-148.70000117.5
135L53.2Low54Low172 Ų172137.5 Ų137.590%0.90178%0.783SS**  174.5128.2117.5-88.4142.7000111.9
136C49.8Very low53.3Low125 Ų125134.3 Ų134.385%0.84578%0.781SS**  trans-77.2167.3-178.8-140.40000112.1
137P62.3Low53.1Low107 Ų107134.5 Ų134.570%0.69579%0.787SS**  trans-93.5179.3-174.241.5-32.3000111.9
138P57.8Low52.8Low113 Ų113137 Ų13773%0.73479%0.788SS**  -162.3165.590.742.3-21.2000119.2
139M58.8Low53Low182 Ų182139.4 Ų139.490%0.89779%0.788SS**  trans79.4132.6139.8-69.1-110.9-96.200125.1
140A62.1Low53.2Low86 Ų86138.8 Ų138.871%0.71178%0.784SS**  trans79.7160.8142.800000118.8
141P57.8Low53.5Low114 Ų114138.9 Ų138.974%0.7478%0.784SS**  cis-142.9161.612.238.9-17.6000119.1
142F53.1Low53.4Low208 Ų208137.1 Ų137.191%0.91279%0.789SS**  trans27.3140.4137.3-74.5-94.7000125
143G52.9Low53.3Low84 Ų84139 Ų13987%0.86680%0.796SS**  trans-177.4113.414900000113.1
144H47.1Very low53.3Low177 Ų177137.6 Ų137.682%0.81979%0.793SS**  trans-122.1150.9-176.1-147.3-63.4000108.5
145I47.4Very low53.4Low170 Ų170138.7 Ų138.787%0.87279%0.79SS**  trans156.3134.1160.4-79.1147.5000105.6
146G43.8Very low53.4Low60 Ų60134.7 Ų134.762%0.61978%0.777SS**  cis121.295.615.100000110.8
147L55.4Low53.8Low170 Ų170135.4 Ų135.489%0.8978%0.777SS**  trans-167.2103.5165-140.577.1000108.7
148H46Very low53.6Low178 Ų178135.6 Ų135.682%0.82478%0.778SS**  58.2115.773.3-89.479.2000117.7
149N52.1Low53.6Low144 Ų144139.7 Ų139.777%0.7778%0.78SS**  trans91123.7144.9-129.523000119.9
150I60.3Low54.2Low159 Ų159136.6 Ų136.682%0.81577%0.772SS**  162.7132.4126.1-72.1150.4000109.9
151P53.5Low54.9Low110 Ų110137.4 Ų137.471%0.71477%0.77SS**  trans-99.5172.7-160.639.2-36.6000117
152P50.8Low55.8Low128 Ų128136.5 Ų136.583%0.83176%0.764SS**  trans-98.5152.1-174.737.4-30.9000114.5
153H54.2Low57.1Low167 Ų167132 Ų13277%0.77376%0.756SS**  trans-148.6120.5175.4-164.4-96.3000113.1
154L51Low58.4Low127 Ų127133.5 Ų133.567%0.66575%0.75SS**  trans32.5150.6139.2-45.1-178.3000120
155N51.5Low60Low131 Ų131130.5 Ų130.570%0.70175%0.746SS**  cis-169.7149.411.9-136.40.8000110.1
156S53.6Low61.5Low88 Ų88127.9 Ų127.962%0.61574%0.74SS**  trans41.4120.6133.1-63.90000122.7
157V58.6Low63.2Low141 Ų141130.4 Ų130.486%0.85575%0.746SS**  -148.3120.8104.9-1610000109.1Y159V157-Y159 PolarHBondContact O-N 3.44Å
158P57.6Low64.3Low111 Ų111127.9 Ų127.972%0.72174%0.739SS**  trans-83.6107.7165.41.317.2000108.9V160P158-V160 PolarHBondContact O-N 2.88Å
159Y57.7Low65.6Low198 Ų198125.4 Ų125.478%0.77674%0.739SS**  trans-75.6111166.4-177.4-91000108.6V157V157-Y159 PolarHBondContact O-N 3.44Å
160V71.7Confident66.2Low118 Ų118123 Ų12372%0.71574%0.74SS**PPolyproline II helixtrans-69.4125.2173.1-178.90000108.4P158P158-V160 PolarHBondContact O-N 2.88Å
161P76Confident66.5Low103 Ų103120 Ų12067%0.66974%0.738SS**PPolyproline II helixtrans-68137.1175.527.3-32.3000110.2
162P78.4Confident67Low95 Ų95120.4 Ų120.462%0.61774%0.741SS**PPolyproline II helixtrans-63.7147.1174.626.6-33.3000110.6
163P79.6Confident67.6Low114 Ų114118.8 Ų118.874%0.7474%0.738SS**PPolyproline II helixtrans-62.5149.4176.326.4-33.4000110.9
164P80.9Confident68.3Low115 Ų115116.5 Ų116.575%0.74774%0.738SS**PPolyproline II helixtrans-61.7145.2176.126.2-33.1000110.6
165P79.8Confident68.4Low114 Ų114115.8 Ų115.874%0.7474%0.741SS**PPolyproline II helixtrans-61.4145.8173.826.1-33000110.3
166P79.9Confident68.8Low114 Ų114118.1 Ų118.174%0.7475%0.748SS**PPolyproline II helixtrans-60.6145.317825.5-33.2000110.5
167P79.6Confident68.6Low114 Ų114119.8 Ų119.874%0.7476%0.756SS**PPolyproline II helixtrans-59.9144.2174.325.9-33000110
168P77.3Confident68Low116 Ų116117.4 Ų117.475%0.75375%0.751SS**PPolyproline II helixtrans-58.9140.4174.825.4-33000109.7A170P168-A170 PolarHBondContact O-N 2.88Å
169P73.1Confident67.8Low126 Ų126117.9 Ų117.982%0.81876%0.757SS**PPolyproline II helixtrans-58.6126.3-179.722.4-31000109.7A171P169-A171 PolarHBondContact O-N 2.94Å
170A66Low67.3Low95 Ų95114 Ų11479%0.78576%0.756SS**  trans-60.1107.7169.900000107.9P168 P172P168-A170 PolarHBondContact O-N 2.88Å; A170-P172 VanDerWaalsContact O-CD 3.25Å; A170-P172 WeakPolarHBondContact O-CD 3.49Å
171A65Low66.2Low94 Ų94115 Ų11578%0.77776%0.757SS**PPolyproline II helixtrans-63.7120.6170.300000108.3P169P169-A171 PolarHBondContact O-N 2.94Å
172P65.1Low64.8Low120 Ų120116.3 Ų116.378%0.77976%0.759SS**PPolyproline II helixtrans-69.6134167.8-9.726.9000108.3A170A170-P172 VanDerWaalsContact O-CD 3.25Å; A170-P172 WeakPolarHBondContact O-CD 3.49Å
173A62.4Low63.2Low94 Ų94119.6 Ų119.678%0.77777%0.766SS**PPolyproline II helixtrans-53.7135.3175.400000111.8
174P70.4Confident61.8Low119 Ų119123.3 Ų123.377%0.77377%0.77SS**PPolyproline II helixtrans-84.8140.5161.531.4-27.7000110.4
175P53.2Low59.9Low112 Ų112122.7 Ų122.773%0.72777%0.769SS**PPolyproline II helixtrans-79.3152.5176.732.6-32.1000112.4
176H58.7Low58.3Low180 Ų180122.3 Ų122.383%0.83377%0.766SS**  trans-37.5160.5174.3-25.3-91.3000116
177P49.2Very low56.5Low123 Ų123122.8 Ų122.880%0.79977%0.767SS**  -152.1157.178.237.5-17000118.6
178A46Very low55.3Low91 Ų91122.2 Ų122.275%0.75277%0.766SS**  trans61.7109.8141.200000121.3
179S54.3Low54.3Low121 Ų121122.8 Ų122.885%0.84677%0.768SS**  -159.8135.7122.7-76.10000110
180P46Very low52.9Low115 Ų115123.2 Ų123.275%0.74777%0.771SS**  trans-94150.4-174.537-31.4000112
181N48.6Very low51.9Low139 Ų139127.8 Ų127.874%0.74377%0.773SS**  trans-178.2125.4130.6-92.6-2.1000110
182D48Very low50.7Low132 Ų132127.8 Ų127.871%0.70677%0.773SS**  trans49.9131.9136.3-53.7-50.2000118.7
183E44.6Very low49.8Very low164 Ų164127.6 Ų127.677%0.76677%0.77SS**  cis-171146.66.5-159.6-179.984.800106
184K49.1Very low48.7Very low191 Ų191132.2 Ų132.283%0.8377%0.772SS**  trans76.997.2151.8-143.2163.1-174.9172.70121.6
185S41.9Very low47.8Very low102 Ų102133 Ų13371%0.71378%0.777SS**  trans-73.7-174.7155.6-141.80000111.3
186P45.2Very low47Very low106 Ų106131.8 Ų131.869%0.68878%0.777SS**  cis-144.8163.72.431-6000118.9
187T43.7Very low46.1Very low124 Ų124133.7 Ų133.776%0.76178%0.779SS**  trans55.9114.8134.2-55.50000121.8
188S53.3Low46.1Very low103 Ų103133.8 Ų133.872%0.7278%0.782SS**  171128.9109.145.20000114.4
189T56.2Low45.9Very low128 Ų128134.3 Ų134.379%0.78578%0.78SS**  trans53.1128.1147.1540000122.8
190P43.6Very low45.6Very low135 Ų135134 Ų13488%0.87778%0.776SS**  trans-87.7116.2172.633.9-28.2000110.5
191K45.6Very low45.4Very low190 Ų190134 Ų13483%0.82678%0.778SS**  trans-105.4116.2169.7-163.6158.9-173.9163.80109.6T193K191-T193 PolarHBondContact O-N 3.14Å
192A40.6Very low45.4Very low94 Ų94133 Ų13378%0.77778%0.782SS**  trans-59.8119.5170.600000109.8
193T45.7Very low45.2Very low117 Ų117133.8 Ų133.872%0.71879%0.786SS**  trans-135.6107.4178-59.70000108.7K191K191-T193 PolarHBondContact O-N 3.14Å
194F39.7Very low45.5Very low190 Ų190135.1 Ų135.183%0.83380%0.795SS**  trans-62.4128.3166.3-70.2-96.5000109.6A196F194-A196 PolarHBondContact O-N 3.11Å
195P50.9Low45.1Very low135 Ų135137.7 Ų137.788%0.87780%0.799SS**  trans-93.291.8172.832.4-25.4000109.7
196A36.6Very low45.4Very low87 Ų87137.3 Ų137.372%0.71980%0.802SS**  trans-97.8125.5159.300000108.7F194F194-A196 PolarHBondContact O-N 3.11Å
197Y40.3Very low45.2Very low221 Ų221139 Ų13987%0.86781%0.805SS**  trans60.4104163.7-97.1-96.9000118.9
198S48.8Very low45.3Very low124 Ų124139.9 Ų139.987%0.86781%0.81SS**  trans-168124.4134.3-78.20000111.1
199S41.8Very low45.2Very low103 Ų103139.4 Ų139.472%0.7281%0.807SS**  trans-70.1-167.8-178.4-22.80000113.8
200P47.8Very low44.8Very low115 Ų115142.4 Ų142.475%0.74781%0.809SS**  cis-133-177.8-26.832.3-11.1000113.8
201S40.8Very low45.2Very low113 Ų113142.5 Ų142.579%0.7981%0.807SS**  trans77.7102.6158.6-66.70000120
202S48.8Very low45.7Very low119 Ų119139 Ų13983%0.83280%0.804SS**  170.8135.3109.446.70000111.8
203N44Very low46.4Very low149 Ų149143.3 Ų143.380%0.79781%0.805SS**  trans-5.6122.2164-68.5-27.6000117.9
204M52.2Low46.6Very low192 Ų192143.5 Ų143.595%0.94681%0.808SS**  -162138.1115.4-88.3-45.3162.900110.4
205R39.9Very low47.3Very low245 Ų245141 Ų14193%0.92581%0.808SS**  trans-100.4122.2-166-175.1-173.3-175.6-167.42.5108.4
206A47.1Very low47.5Very low94 Ų94139.7 Ų139.778%0.77780%0.803SS**  trans-144.388.316700000108.5
207N42.1Very low47.9Very low140 Ų140137.5 Ų137.575%0.74979%0.789SS**  61.372.5105.1-163.132.5000114.2
208V46.1Very low48.5Very low144 Ų144133.5 Ų133.587%0.87379%0.787SS**  trans-91111.9156.5176.20000106.7
209S50.5Low48.8Very low92 Ų92134.4 Ų134.464%0.64378%0.782SS**PPolyproline II helixtrans-74.7138.7179.8-72.10000110.9
210K48.7Very low49.4Very low191 Ų191133.1 Ų133.183%0.8379%0.785SS**PPolyproline II helixtrans-49.8134.2-177.8-73.4155.8174.3176.30113.2
211V51Low49.9Very low138 Ų138132.2 Ų132.284%0.83678%0.777SS**PPolyproline II helixtrans-55.4125159.9176.90000108.9
212P57.2Low51.1Low117 Ų117132.8 Ų132.876%0.7678%0.775SS**PPolyproline II helixtrans-72.7130.8173-11.327.2000110.5
213K54.5Low51.9Low184 Ų184133.4 Ų133.480%0.877%0.768SS**PPolyproline II helixtrans-50.6147.3169.5-161.2163.5-176.5165.70111T215K213-T215 PolarHBondContact O-N 3.12Å
214P50.6Low53.4Low120 Ų120133.6 Ų133.678%0.77976%0.764SS**PPolyproline II helixtrans-55126.1-174.721.6-34000111.1S216P214-S216 PolarHBondContact O-N 3.01Å
215T54.2Low54.2Low137 Ų137131 Ų13184%0.8475%0.754SS**  trans-61.5115.8173.6-56.60000108.7K213 G217K213-T215 PolarHBondContact O-N 3.12Å; T215-G217 PolarHBondContact O-N 3.12Å
216S54.7Low55.7Low109 Ų109126.1 Ų126.176%0.76274%0.744SS**PPolyproline II helixtrans-46.3126.1168.8-58.20000110.3P214 V218P214-S216 PolarHBondContact O-N 3.01Å; S216-V218 PolarHBondContact O-N 3.43Å
217G44.4Very low56.7Low41 Ų41127.3 Ų127.342%0.42373%0.733SS.*PPolyproline II helixtrans-56.7126.5175.600000110.8T215 N219 G220T215-G217 PolarHBondContact O-N 3.12Å; G217-N219 PolarHBondContact O-N 2.98Å; G217-N219 VanDerWaalsContact O-N 3.15Å; G217-G220 PolarHBondContact O-N 3.38Å
218V53.7Low58Low136 Ų136123.8 Ų123.882%0.82472%0.718SS**THydrogen-bonded Turntrans-50.1118.7155178.80000105.6S216S216-V218 PolarHBondContact O-N 3.43Å
219N53.9Low59Low144 Ų144123.9 Ų123.977%0.7771%0.714SS**THydrogen-bonded Turntrans110.917.1-177.3-51-18.3000117.5G217 V221G217-N219 PolarHBondContact O-N 2.98Å; G217-N219 VanDerWaalsContact O-N 3.15Å; N219-V221 PolarHBondContact O-N 3.15Å
220G56.1Low59.6Low75 Ų75128.2 Ų128.277%0.77372%0.724SS**SBendtrans66.510.8165.300000115.9G217G217-G220 PolarHBondContact O-N 3.38Å
221V56.8Low60.3Low97 Ų97124.7 Ų124.759%0.58871%0.714SS**  trans-90.1115.1174.9-177.90000108.6N219 I223N219-V221 PolarHBondContact O-N 3.15Å; V221-I223 HydrophobicContact CG1-CG1 4.16Å; V221-I223 PolarHBondContact O-N 3.31Å
222V66.4Low61.3Low125 Ų125121.1 Ų121.176%0.75869%0.69SS**  trans-77.3111.7170.2178.40000107.6E224V222-E224 HydrophobicContact CG1-CG 4.24Å
223I65.5Low62.1Low131 Ų131118.1 Ų118.167%0.67267%0.672SS**  trans-96.899.2173.9-56.9170.6000107V221 L225V221-I223 HydrophobicContact CG1-CG1 4.16Å; V221-I223 PolarHBondContact O-N 3.31Å; I223-L225 HydrophobicContact CG2-CD1 4.46Å
224E76.5Confident63Low153 Ų153115.9 Ų115.972%0.71567%0.668SS**  trans-82.4121165.7-78-175.2157.900108.9V222 I226V222-E224 HydrophobicContact CG1-CG 4.24Å; E224-I226 VanDerWaalsContact C-N 3.26Å; E224-I226 HydrophobicContact CB-CG1 4.34Å; E224-I226 PolarHBondContact O-N 3.29Å
225L68.3Low64Low139 Ų139117.7 Ų117.773%0.72867%0.666SS**  trans-71.686168.3-102.780.1000108.6I223 H227I223-L225 HydrophobicContact CG2-CD1 4.46Å; L225-H227 PolarHBondContact O-N 3.22Å; L225-H227 PolarHBondContact O-ND1 3.23Å
226I72.4Confident65.1Low141 Ų141116 Ų11672%0.72365%0.648SS**  trans-75.7108.3169.4-59.8167.3000106.8E224E224-I226 VanDerWaalsContact C-N 3.26Å; E224-I226 HydrophobicContact CB-CG1 4.34Å; E224-I226 PolarHBondContact O-N 3.29Å
227H66.9Low66.1Low119 Ų119115.1 Ų115.155%0.55164%0.635SS**  trans-83.4121.8169.1-6756.9000106.5L225L225-H227 PolarHBondContact O-N 3.22Å; L225-H227 PolarHBondContact O-ND1 3.23Å
228P69Low67.7Low67 Ų67120.7 Ų120.744%0.43564%0.643SS.*  trans-59.8145.5174.426.4-32.4000109.2E230 D231P228-E230 PolarHBondContact O-N 2.92Å; P228-D231 WeakPolarHBondContact CG-OD2 3.43Å; P228-D231 PolarHBondContact O-N 3.04Å
229D67.1Low68.7Low145 Ų145115.8 Ų115.878%0.77562%0.616SS**G310 helixtrans-57-10.3-175.6-55.1-33.1000113.9
230E62.9Low69.9Low184 Ų184115.2 Ų115.286%0.8661%0.609SS**G310 helixtrans-81.1-15.9177.6-48-167.4127.100114P228P228-E230 PolarHBondContact O-N 2.92Å
231D64.6Low71.2Confident117 Ų117116.1 Ų116.163%0.62660%0.596SS**G310 helixtrans-98.47.3-179.8-76.3-39.3000113.5P228 S233P228-D231 WeakPolarHBondContact CG-OD2 3.43Å; P228-D231 PolarHBondContact O-N 3.04Å; D231-S233 PolarHBondContact O-N 3.08Å
232L71.6Confident72.2Confident63 Ų63116.7 Ų116.733%0.3360%0.601SS.*  trans-65.8128174.9-66.3174.5000110.7L237L232-L237 HydrophobicContact CB-CD1 3.83Å; L232-L237 HydrophobicContact CB-CG 4.39Å
233S73.9Confident72.8Confident54 Ų54119.6 Ų119.638%0.37860%0.599SS.*  trans-66.4151.3176.270.60000111D231 E235 E236 L237D231-S233 PolarHBondContact O-N 3.08Å; S233-E235 PolarHBondContact O-N 3.2Å; S233-E236 WeakPolarHBondContact CB-OE2 3.38Å; S233-E236 PolarHBondContact N-OE2 3.37Å; S233-E236 PolarHBondContact O-N 3.41Å; S233-E236 PolarHBondContact OG-N 2.94Å; S233-E236 PolarHBondContact OG-OE2 3.21Å; S233-L237 PolarHBondContact O-N 2.92Å
234L74Confident73.3Confident136 Ų136117.7 Ų117.771%0.71258%0.584SS**Hα-helixtrans-54.2-20.5172.7-86.6167.3000113.1R238L234-R238 VanDerWaalsContact O-CG 3.31Å; L234-R238 WeakPolarHBondContact O-CG 3.13Å; L234-R238 PolarHBondContact O-N 3.17Å
235E71.7Confident73.4Confident159 Ų159116.7 Ų116.774%0.74358%0.577SS**Hα-helixtrans-82.9-36.8177.7-163.5152.9-17700112.2S233 R238 A239S233-E235 PolarHBondContact O-N 3.2Å; E235-R238 PolarHBondContact O-N 3.45Å; E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.36Å
236E76.5Confident73.7Confident101 Ų101114 Ų11447%0.47257%0.566SS.*Hα-helixtrans-67-43.7170.9-79.3159.5133.100112.2S233 R238 A239 E240S233-E236 WeakPolarHBondContact CB-OE2 3.38Å; S233-E236 PolarHBondContact N-OE2 3.37Å; S233-E236 PolarHBondContact O-N 3.41Å; S233-E236 PolarHBondContact OG-N 2.94Å; S233-E236 PolarHBondContact OG-OE2 3.21Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.26Å; E236-A239 WeakPolarHBondContact O-CA 3.46Å; E236-A239 WeakPolarHBondContact O-CB 3.4Å; E236-A239 PolarHBondContact O-N 3.28Å; E236-E240 PolarHBondContact O-N 3.38Å; E236-E240 VanDerWaalsContact O-N 3.14Å
237L75.6Confident73.9Confident90 Ų90112.1 Ų112.147%0.47156%0.557SS.*Hα-helixtrans-61.2-34.5173.7-85.4127.5000112.5L232 S233L232-L237 HydrophobicContact CB-CD1 3.83Å; L232-L237 HydrophobicContact CB-CG 4.39Å; S233-L237 PolarHBondContact O-N 2.92Å
238R77.5Confident74.3Confident159 Ų159110 Ų11060%0.655%0.552SS**Hα-helixtrans-72.1-33.9172.7-80.3177.6-174.11573.3112.2L234 E235 E236 E240 L241 Y244L234-R238 VanDerWaalsContact O-CG 3.31Å; L234-R238 WeakPolarHBondContact O-CG 3.13Å; L234-R238 PolarHBondContact O-N 3.17Å; E235-R238 PolarHBondContact O-N 3.45Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.26Å; R238-E240 VanDerWaalsContact C-N 3.25Å; R238-E240 PolarHBondContact O-N 2.95Å; R238-L241 PolarHBondContact O-N 3.41Å; R238-Y244 WeakPolarHBondContact O-CB 3.38Å; R238-Y244 WeakPolarHBondContact O-CD2 3.31Å
239A76.5Confident74.6Confident32 Ų32111.5 Ų111.526%0.26455%0.553SS.*Hα-helixtrans-66.5-25.8178.100000113E235 E236 K245 V248E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.36Å; E236-A239 WeakPolarHBondContact O-CA 3.46Å; E236-A239 WeakPolarHBondContact O-CB 3.4Å; E236-A239 PolarHBondContact O-N 3.28Å; A239-K245 PolarHBondContact O-N 2.97Å; A239-V248 HydrophobicContact CB-CG2 4.04Å
240E78.5Confident75Confident133 Ų133109.6 Ų109.662%0.62154%0.543SS*.THydrogen-bonded Turntrans-75.1-18.9176.6-74.4-174.7152.300114.7E236 R238E236-E240 PolarHBondContact O-N 3.38Å; E236-E240 VanDerWaalsContact O-N 3.14Å; R238-E240 VanDerWaalsContact C-N 3.25Å; R238-E240 PolarHBondContact O-N 2.95Å
241L82Confident75.3Confident93 Ų93103.3 Ų103.349%0.48752%0.523SS..SBendtrans-62.6144.2177.1-70.9171.5000110.7R238 R243 Y244 K245R238-L241 PolarHBondContact O-N 3.41Å; L241-R243 PolarHBondContact O-N 2.81Å; L241-Y244 HydrophobicContact CB-CD2 4.05Å; L241-Y244 HydrophobicContact CD1-CD2 4.43Å; L241-Y244 HydrophobicContact CD1-CE2 4.43Å; L241-Y244 PolarHBondContact O-N 3.26Å; L241-K245 PolarHBondContact O-N 3.08Å
242P78.3Confident75.5Confident109 Ų109100.4 Ų100.471%0.70852%0.515SS*.Hα-helixtrans-54-31.4-175.1-26.332.3000114.4Y244P242-Y244 VanDerWaalsContact C-N 3.33Å
243R79.4Confident75.1Confident187 Ų187103.2 Ų103.271%0.70653%0.525SS*.Hα-helixtrans-67.5-30.7178.3-170.2-175.8-179.2-165.92.1113.2L241L241-R243 PolarHBondContact O-N 2.81Å
244Y75.1Confident74.4Confident90 Ų90109.7 Ų109.735%0.35355%0.546SS..Hα-helixtrans-103.9-24.8-175.4-62-77.8000112.5R238 L241 P242 T246 I247 V248R238-Y244 WeakPolarHBondContact O-CB 3.38Å; R238-Y244 WeakPolarHBondContact O-CD2 3.31Å; L241-Y244 HydrophobicContact CB-CD2 4.05Å; L241-Y244 HydrophobicContact CD1-CD2 4.43Å; L241-Y244 HydrophobicContact CD1-CE2 4.43Å; L241-Y244 PolarHBondContact O-N 3.26Å; P242-Y244 VanDerWaalsContact C-N 3.33Å; Y244-T246 VanDerWaalsContact C-N 3.27Å; Y244-T246 PolarHBondContact O-N 2.99Å; Y244-I247 HydrophobicContact CD1-CD1 4.23Å; Y244-I247 WeakPolarHBondContact O-CA 3.41Å; Y244-I247 WeakPolarHBondContact O-CB 3.42Å; Y244-I247 PolarHBondContact O-N 3.22Å; Y244-V248 WeakPolarHBondContact O-CG2 3.34Å; Y244-V248 PolarHBondContact O-N 3.36Å
245K79.9Confident73.7Confident133 Ų133109.8 Ų109.858%0.57855%0.546SS*.Hα-helixtrans-53.9-42.4174.8-170.7173.3-178.21730112.7A239 L241 I247 V248 E249A239-K245 PolarHBondContact O-N 2.97Å; L241-K245 PolarHBondContact O-N 3.08Å; K245-I247 VanDerWaalsContact C-N 3.33Å; K245-I247 PolarHBondContact O-N 3.31Å; K245-V248 PolarHBondContact O-N 3.46Å; K245-E249 VanDerWaalsContact O-CB 3.27Å; K245-E249 WeakPolarHBondContact O-CB 3.48Å; K245-E249 PolarHBondContact O-N 2.98Å
246T74.8Confident72.9Confident82 Ų82108.2 Ų108.250%0.50354%0.541SS..Hα-helixtrans-67.8-31.3176.854.10000113Y244 N250Y244-T246 VanDerWaalsContact C-N 3.27Å; Y244-T246 PolarHBondContact O-N 2.99Å; T246-N250 VanDerWaalsContact O-CB 3.29Å; T246-N250 WeakPolarHBondContact O-CB 3.37Å; T246-N250 VanDerWaalsContact O-CG 3.26Å; T246-N250 PolarHBondContact O-N 2.94Å; T246-N250 VanDerWaalsContact O-N 3.15Å; T246-N250 PolarHBondContact O-ND2 2.79Å
247I76.2Confident71.7Confident101 Ų101108 Ų10852%0.51855%0.548SS..Hα-helixtrans-74.9-43.5177.8-59.4174.2000110Y244 K245 N250 A251Y244-I247 HydrophobicContact CD1-CD1 4.23Å; Y244-I247 WeakPolarHBondContact O-CA 3.41Å; Y244-I247 WeakPolarHBondContact O-CB 3.42Å; Y244-I247 PolarHBondContact O-N 3.22Å; K245-I247 VanDerWaalsContact C-N 3.33Å; K245-I247 PolarHBondContact O-N 3.31Å; I247-N250 PolarHBondContact O-N 3.17Å; I247-A251 WeakPolarHBondContact O-CB 3.27Å; I247-A251 PolarHBondContact O-N 2.94Å
248V75.5Confident70.9Confident76 Ų76108.9 Ų108.946%0.46156%0.559SS.*Hα-helixtrans-65.8-43.7177.1175.30000111A239 Y244 K245 N250 A251 A252A239-V248 HydrophobicContact CB-CG2 4.04Å; Y244-V248 WeakPolarHBondContact O-CG2 3.34Å; Y244-V248 PolarHBondContact O-N 3.36Å; K245-V248 PolarHBondContact O-N 3.46Å; V248-N250 PolarHBondContact O-N 2.92Å; V248-A251 PolarHBondContact O-N 3.07Å; V248-A252 WeakPolarHBondContact O-CB 3.29Å; V248-A252 PolarHBondContact O-N 3.38Å
249E74.8Confident70.1Confident97 Ų97107 Ų10745%0.45357%0.568SS.*Hα-helixtrans-65-39177.7-164.6-173.3148.200112.1K245 A252 K253K245-E249 VanDerWaalsContact O-CB 3.27Å; K245-E249 WeakPolarHBondContact O-CB 3.48Å; K245-E249 PolarHBondContact O-N 2.98Å; E249-A252 PolarHBondContact O-N 3.33Å; E249-K253 WeakPolarHBondContact O-CG 3.17Å; E249-K253 PolarHBondContact O-N 3.42Å; E249-K253 VanDerWaalsContact O-N 3.08Å; E249-K253 WeakPolarHBondContact OE1-CE 3.47Å; E249-K253 IonicContact OE1-NZ 2.73Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å
250N75.3Confident69.2Low105 Ų105112.9 Ų112.956%0.56159%0.594SS**Hα-helixtrans-69.8-34.7174.8-80.1-22.4000112.9T246 I247 V248 K254T246-N250 VanDerWaalsContact O-CB 3.29Å; T246-N250 WeakPolarHBondContact O-CB 3.37Å; T246-N250 VanDerWaalsContact O-CG 3.26Å; T246-N250 PolarHBondContact O-N 2.94Å; T246-N250 VanDerWaalsContact O-N 3.15Å; T246-N250 PolarHBondContact O-ND2 2.79Å; I247-N250 PolarHBondContact O-N 3.17Å; V248-N250 PolarHBondContact O-N 2.92Å; N250-K254 PolarHBondContact O-N 3.32Å
251A70.6Confident68Low53 Ų53111.5 Ų111.544%0.43860%0.596SS.*Hα-helixtrans-67.3-40.6173.800000111.6I247 V248 K254I247-A251 WeakPolarHBondContact O-CB 3.27Å; I247-A251 PolarHBondContact O-N 2.94Å; V248-A251 PolarHBondContact O-N 3.07Å; A251-K254 PolarHBondContact O-N 3.32Å
252A67.5Low66.6Low55 Ų55114.7 Ų114.746%0.45561%0.612SS.*Hα-helixtrans-64.6-40176.500000112.5V248 E249 K254 I255V248-A252 WeakPolarHBondContact O-CB 3.29Å; V248-A252 PolarHBondContact O-N 3.38Å; E249-A252 PolarHBondContact O-N 3.33Å; A252-K254 PolarHBondContact O-N 3.14Å; A252-I255 PolarHBondContact O-N 2.91Å
253K63Low65.2Low123 Ų123115.3 Ų115.354%0.53561%0.614SS.*Hα-helixtrans-64.2-25.5174.9-74.8172.9-173.3166.50113.3E249 I255E249-K253 WeakPolarHBondContact O-CG 3.17Å; E249-K253 PolarHBondContact O-N 3.42Å; E249-K253 VanDerWaalsContact O-N 3.08Å; E249-K253 WeakPolarHBondContact OE1-CE 3.47Å; E249-K253 IonicContact OE1-NZ 2.73Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å; K253-I255 VanDerWaalsContact C-N 3.35Å
254K60.4Low63.5Low189 Ų189114.1 Ų114.182%0.82262%0.621SS**THydrogen-bonded Turntrans-78.5-13.9178.2-115-173.1-177.1-165.40114.6N250 A251 A252N250-K254 PolarHBondContact O-N 3.32Å; A251-K254 PolarHBondContact O-N 3.32Å; A252-K254 PolarHBondContact O-N 3.14Å
255I58Low62Low138 Ų138113.3 Ų113.371%0.70864%0.64SS**SBendtrans-94.9-10.2-176.3-64167.2000111.9A252 K253 P257A252-I255 PolarHBondContact O-N 2.91Å; K253-I255 VanDerWaalsContact C-N 3.35Å; I255-P257 WeakPolarHBondContact O-CD 3.44Å
256I54.6Low60.3Low126 Ų126114.6 Ų114.665%0.64665%0.652SS**SBendtrans-83.7107.5177.2-56.2172.1000108.4
257P52.1Low59.4Low97 Ų97117.3 Ų117.363%0.6367%0.669SS**PPolyproline II helixtrans-64.5142.6171.228.7-33.5000109.2I255I255-P257 WeakPolarHBondContact O-CD 3.44Å
258P59.7Low58Low108 Ų108119 Ų11970%0.70168%0.684SS**PPolyproline II helixtrans-59.2146.5177.825.8-34.1000110.6I260P258-I260 PolarHBondContact O-N 3.27Å
259P59.2Low56.7Low121 Ų121121 Ų12179%0.78670%0.698SS**PPolyproline II helixtrans-62.8125.4174.327.6-32.1000108.6P261P259-P261 WeakPolarHBondContact O-CD 3.48Å
260I58.9Low55.4Low155 Ų155121.7 Ų121.780%0.79571%0.714SS**PPolyproline II helixtrans-71.2121.1177.5-46.1169.8000106.9P258 I262P258-I260 PolarHBondContact O-N 3.27Å; I260-I262 PolarHBondContact O-N 3.47Å
261P53.7Low54.2Low104 Ų104125.8 Ų125.868%0.67573%0.727SS**PPolyproline II helixtrans-70.9123.8177.127.9-31.3000109.5P259 T263P259-P261 WeakPolarHBondContact O-CD 3.48Å; P261-T263 PolarHBondContact O-N 2.89Å; P261-T263 VanDerWaalsContact O-N 3.17Å
262I51.7Low53.7Low159 Ų159129.4 Ų129.482%0.81574%0.738SS**  trans-77.197.5173.6-56.1171.1000107I260 L264I260-I262 PolarHBondContact O-N 3.47Å; I262-L264 PolarHBondContact O-N 3.47Å
263T49.8Very low53.5Low123 Ų123132 Ų13276%0.75575%0.75SS**  trans-81.9110.3172.650.90000109.7P261 G265P261-T263 PolarHBondContact O-N 2.89Å; P261-T263 VanDerWaalsContact O-N 3.17Å; T263-G265 PolarHBondContact O-N 3.46Å
264L43.1Very low53.7Low161 Ų161132.2 Ų132.284%0.84376%0.764SS**  trans-59.5110.6163.6-92.180.5000109.1I262I262-L264 PolarHBondContact O-N 3.47Å
265G43.6Very low53.6Low73 Ų73131.5 Ų131.575%0.75376%0.763SS**  trans-122.1100169.900000109.5T263 T267T263-G265 PolarHBondContact O-N 3.46Å; G265-T267 PolarHBondContact O-N 2.94Å
266L44.6Very low53.5Low160 Ų160130 Ų13084%0.83876%0.763SS**  trans-61119.7164.4-78.979.7000108.6
267T54.4Low53.5Low140 Ų140130.2 Ų130.286%0.85977%0.77SS**  trans-169.4114.6139.647.70000110.3G265G265-T267 PolarHBondContact O-N 2.94Å
268T48.2Very low53.4Low136 Ų136133.5 Ų133.583%0.83478%0.777SS**  trans-65.6148.1157.943.20000109.6
269P46.9Very low53.1Low118 Ų118134.6 Ų134.677%0.76678%0.776SS**  -148.3151.16634.6-12.9000117.8
270S48.4Very low52.9Low111 Ų111135 Ų13578%0.77678%0.775SS**  trans29.3113.1143.2-52.70000119.9
271F49.6Very low52.9Low191 Ų191136.9 Ų136.984%0.83877%0.774SS**  -167109.7128.7-128.2-106.5000112.8
272I59.5Low53.7Low129 Ų129136.9 Ų136.966%0.66277%0.774SS**  trans40116.7142.3-43.6-178.8000119.7
273P63.5Low54.4Low110 Ų110134.9 Ų134.971%0.71477%0.771SS**PPolyproline II helixtrans-83.1143.7168.233.8-32000112
274P67Low54.9Low128 Ų128137 Ų13783%0.83178%0.776SS**PPolyproline II helixtrans-76.4127.8164.730.3-29.3000109.9
275Q58.4Low55.9Low173 Ų173134.9 Ų134.981%0.80877%0.77SS**PPolyproline II helixtrans-61.9153.8173.8-81-168.39.500112.5T277Q275-T277 PolarHBondContact O-N 3.15Å
276P57.7Low57.1Low108 Ų108136.4 Ų136.470%0.70177%0.766SS**  trans-75.7108.9167.731.7-29.7000109.4Q278P276-Q278 PolarHBondContact O-N 3.46Å; P276-Q278 VanDerWaalsContact O-N 3.12Å
277T52.7Low58.2Low129 Ų129135 Ų13579%0.79177%0.767SS**  trans-70105.5165.231.60000109.1Q275 I279Q275-T277 PolarHBondContact O-N 3.15Å; T277-I279 PolarHBondContact O-N 3.23Å
278Q51.4Low58.2Low166 Ų166132.3 Ų132.378%0.77676%0.759SS**  trans-58.8111165.6-66.5-79.3-1200108.7P276 V280P276-Q278 PolarHBondContact O-N 3.46Å; P276-Q278 VanDerWaalsContact O-N 3.12Å; Q278-V280 PolarHBondContact O-N 3.35Å
279I52.4Low58.5Low131 Ų131131 Ų13167%0.67276%0.755SS**  trans-82.6102.7166.2-63.9175.9000106.5T277 Y281T277-I279 PolarHBondContact O-N 3.23Å; I279-Y281 HydrophobicContact CG2-CD2 4.39Å; I279-Y281 HydrophobicContact CG2-CE2 4.19Å; I279-Y281 PolarHBondContact O-N 2.97Å
280V56.5Low58.9Low129 Ų129131.5 Ų131.578%0.78276%0.756SS**  trans-67.9107.4169175.70000107.7Q278Q278-V280 PolarHBondContact O-N 3.35Å
281Y57.1Low59.4Low196 Ų196131.6 Ų131.677%0.76975%0.754SS**PPolyproline II helixtrans-76.1133.8165.7-78.1-89.6000109.2I279I279-Y281 HydrophobicContact CG2-CD2 4.39Å; I279-Y281 HydrophobicContact CG2-CE2 4.19Å; I279-Y281 PolarHBondContact O-N 2.97Å
282P71.6Confident59.9Low103 Ų103130.8 Ų130.867%0.66976%0.755SS**PPolyproline II helixtrans-69.5147170.329.7-33000110.2I284P282-I284 PolarHBondContact O-N 2.72Å
283P66.2Low59.6Low117 Ų117129.1 Ų129.176%0.7675%0.752SS**PPolyproline II helixtrans-66.7125.5175.227.6-32.6000110.1V285P283-V285 PolarHBondContact O-N 3.27Å
284I60.8Low59Low168 Ų168133.3 Ų133.386%0.86276%0.76SS**  trans-72112.1167.4-69.9172.1000107.5P282P282-I284 PolarHBondContact O-N 2.72Å
285V62.8Low58Low116 Ų116131.9 Ų131.970%0.70376%0.758SS**  trans-75.3132.6172.1-176.90000108.6P283P283-V285 PolarHBondContact O-N 3.27Å
286P69.3Low57.7Low105 Ų105134.5 Ų134.568%0.68276%0.762SS**  trans-73.6136.8171.730-32000110A288P286-A288 PolarHBondContact O-N 2.98Å; P286-A288 VanDerWaalsContact O-N 3.16Å
287P68.4Low57.8Low132 Ų132136 Ų13686%0.85777%0.77SS**  trans-72111.9169.327.8-30.6000109.5
288A53.8Low57.7Low83 Ų83136 Ų13669%0.68677%0.772SS**  trans-68.6133165.100000110.4P286P286-A288 PolarHBondContact O-N 2.98Å; P286-A288 VanDerWaalsContact O-N 3.16Å
289S54.4Low57.6Low107 Ų107131.5 Ų131.575%0.74877%0.771SS**  trans31.4108.7144.258.70000118.6
290V54.9Low57.7Low130 Ų130135.5 Ų135.579%0.78878%0.783SS**PPolyproline II helixtrans-103.4117.4152.3-177.60000107.8M292V290-M292 HydrophobicContact CG1-CG 4.18Å
291P59.5Low58.2Low112 Ų112136.6 Ų136.673%0.72778%0.783SS**PPolyproline II helixtrans-97.9118.4160.731.5-21000108.9
292M59.4Low58.4Low174 Ų174132.6 Ų132.686%0.85778%0.781SS**PPolyproline II helixtrans-101.9126.7165.2-79.6-65.6-125.600109.2V290V290-M292 HydrophobicContact CG1-CG 4.18Å
293P53.1Low58.5Low95 Ų95133.6 Ų133.662%0.61779%0.788SS**PPolyproline II helixtrans-96.5172.7172.530.2-18.1000112.2
294F51.9Low58.1Low198 Ų198134.1 Ų134.187%0.86879%0.791SS**  trans80.2108.5168.7-61.4-84.8000117.2
295A46.3Very low57.8Low97 Ų97130.1 Ų130.180%0.80278%0.783SS**  163.6140.287.200000110.4
296Y51.1Low57.4Low228 Ų228135 Ų13589%0.89480%0.795SS**  trans-64.2139.3178.4-76.9-109000113
297T60.4Low56.3Low140 Ų140133.1 Ų133.186%0.85980%0.795SS**  trans-164.1139.7133.647.60000110
298P50.9Low55.8Low129 Ų129135.4 Ų135.484%0.83880%0.799SS**  trans-111.3147.1168.336-25.2000112.6
299G48Very low56Low72 Ų72136.7 Ų136.774%0.74280%0.8SS**  trans110.9116155.500000115.9
300F56.1Low56Low215 Ų215137 Ų13794%0.94380%0.798SS**  -169.9138.7128.6-124.3-96000111.1
301I66.8Low56.2Low152 Ų152139 Ų13978%0.77980%0.8SS**  trans-101.7147.9-175.4-66165.9000108.5
302P61.2Low55.8Low112 Ų112142.2 Ų142.273%0.72781%0.806SS**  trans-90.7161-175.836.5-34.7000113.7
303P72.5Confident55.4Low123 Ų123138.7 Ų138.780%0.79980%0.796SS**  trans-107154.8172.737.8-29.2000113.7
304P57.6Low55.2Low129 Ų129142.3 Ų142.384%0.83881%0.805SS**  trans-133.9144.4148.436.6-22.7000112.8
305A56Low55.3Low84 Ų84140.8 Ų140.869%0.69480%0.804SS**  trans-163.1121.717600000113.9
306F54.3Low55.9Low218 Ų218140.4 Ų140.496%0.95680%0.8SS**  trans48.2142.2140.1-59.3-86.7000120.9
307G46.8Very low55.9Low65 Ų65135.6 Ų135.667%0.6780%0.797SS**  cis168.4165.83.900000112.6
308L57.4Low55.7Low181 Ų181133.6 Ų133.695%0.94880%0.795SS**  trans79.7152.5149.2-70.6156.2000124.1
309P57.1Low55.5Low109 Ų109133.9 Ų133.971%0.70880%0.797SS**  trans-126.4-175-150.841.7-23.1000114.9
310T55.5Low55.8Low114 Ų114133.9 Ų133.970%0.69980%0.797SS**  159.5151.4124.4-146.70000115.6
311M57.8Low55.6Low171 Ų171132.8 Ų132.884%0.84280%0.795SS**  trans90.2118.6156.7-59.4-74.2139.600122.4
312Q51.1Low54.8Low180 Ų180133.9 Ų133.984%0.84180%0.801SS**  trans-104.7-170.1168.5-145.7177.4-44.600106.3
313P52.2Low54.7Low100 Ų100134.9 Ų134.965%0.64981%0.805SS**  cis-154.4-176.49.740-14.2000120.7
314Q49.4Very low53.9Low171 Ų171134.8 Ų134.880%0.79981%0.805SS**  trans82122.7148.8-58.3-134.2-24.700122.3
315I53.9Low53.6Low167 Ų167140.1 Ų140.186%0.85681%0.809SS**  173.3140.3104.5-78.4153.7000108.5
316A58Low53.6Low88 Ų88141 Ų14173%0.72782%0.816SS**  trans-112.3-166.7-168.300000112.2
317P52.2Low53.5Low127 Ų127133.4 Ų133.483%0.82580%0.799SS**  -125.1177.1-118.130.6-7000115.2
318A54.4Low54.6Low98 Ų98137.8 Ų137.881%0.8181%0.805SS**  trans-151.5147.2160.800000112.4
319P48Very low55.2Low135 Ų135135 Ų13588%0.87780%0.798SS**  trans-104.9155.1-168.238.8-30.1000113.5
320G53.4Low55.6Low72 Ų72138.1 Ų138.174%0.74280%0.803SS**  trans-178.1124.117200000116.3
321Q52.1Low55.9Low192 Ų192141 Ų14190%0.89781%0.814SS**  trans79.797.8148.8-76.2173.4-47.200121.3
322L49.4Very low56.1Low175 Ų175143 Ų14392%0.91681%0.812SS**  trans-50135.8143.7-55.6164.3000111.4
323T60.7Low56.4Low133 Ų133147.4 Ų147.482%0.81683%0.828SS**  trans-132.9135.9156.937.10000110.3
324P55.5Low56.7Low122 Ų122149.8 Ų149.879%0.79284%0.837SS**  trans-90.6149.2-17734.9-32.4000112.5A326P324-A326 PolarHBondContact O-N 2.86Å
325W50.1Low57Low241 Ų241148.6 Ų148.691%0.91384%0.839SS**  trans-57.7113.5170.6178.6-68.8000111
326A55.9Low57.2Low102 Ų102147.6 Ų147.684%0.84384%0.839SS**  trans-106126.8166.400000108.8P324P324-A326 PolarHBondContact O-N 2.86Å
327G52.9Low57.2Low59 Ų59151.1 Ų151.161%0.60885%0.845SS**  trans172.756.3177.100000114.9
328I69.5Low57.5Low156 Ų156152.6 Ų152.680%0.885%0.846SS**  trans-138.2123159.4-55.7178.3000107.2
329P70.2Confident57.7Low124 Ų124156.3 Ų156.381%0.80585%0.849SS**PPolyproline II helixtrans-79.3124175.428.1-24.5000110.2L331P329-L331 PolarHBondContact O-N 2.97Å
330Q66.3Low58.4Low173 Ų173157.8 Ų157.881%0.80885%0.847SS**PPolyproline II helixtrans-72.5116.6171.3-82-90-43.200110.1
331L61.5Low58.8Low175 Ų175164.4 Ų164.492%0.91686%0.855SS**PPolyproline II helixtrans-70.6123.5156.9-96139000108.1P329P329-L331 PolarHBondContact O-N 2.97Å
332R62.2Low59.3Low212 Ų212162.1 Ų162.180%0.885%0.851SS**  trans-122.2121.7172.8-142.9-162.1177.8112.5-1.8107.8
333F57.5Low60.2Low273 Ų273160.9 Ų160.9100%1.19785%0.845SS**  trans39.30169-70.2-78.3000118.4

Retrieved 333 of 333 residues in 64.3 ms (Link to these results)

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