A0A077Z0T4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z0T4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low77.2Confident223 Ų22390.9 Ų90.9100%1.09943%0.433SS*.  0-26.20-109.1-176-7500113.1N3M1-N3 PolarHBondContact O-N 3.42Å
2E51.5Low78.4Confident150 Ų15093.8 Ų93.870%0.70144%0.443SS*.Hα-helixtrans-65.2-35.3-174.8-68.8165.1174.300114.8Q4 K5 L6E2-Q4 VanDerWaalsContact C-N 3.26Å; E2-Q4 PolarHBondContact O-N 3.27Å; E2-K5 PolarHBondContact O-N 3.47Å; E2-L6 PolarHBondContact O-N 3.14Å
3N66.8Low79.5Confident90 Ų9086.6 Ų86.648%0.48141%0.409SS..Hα-helixtrans-64-29.9-174.7-148.2-27.9000112.7M1 K7 I31M1-N3 PolarHBondContact O-N 3.42Å; N3-K7 WeakPolarHBondContact O-CB 3.44Å; N3-K7 PolarHBondContact O-N 3.28Å; N3-I31 WeakPolarHBondContact OD1-CB 3.3Å; N3-I31 VanDerWaalsContact OD1-CD1 3.31Å; N3-I31 WeakPolarHBondContact OD1-CD1 3.31Å
4Q76.7Confident80.3Confident115 Ų11580.5 Ų80.554%0.53738%0.38SS..Hα-helixtrans-72.3-42.5-179.4-169.268.19.700112.8E2 K7 E8E2-Q4 VanDerWaalsContact C-N 3.26Å; E2-Q4 PolarHBondContact O-N 3.27Å; Q4-K7 WeakPolarHBondContact O-CB 3.44Å; Q4-K7 PolarHBondContact O-N 2.75Å; Q4-E8 WeakPolarHBondContact O-CG 3.05Å; Q4-E8 PolarHBondContact O-N 2.89Å
5K83.9Confident81Confident145 Ų14580.9 Ų80.963%0.6339%0.386SS*.Hα-helixtrans-64.7-44.2177.6-72.5-176.5179.5179.10110.9E2 K7 E8 L9E2-K5 PolarHBondContact O-N 3.47Å; K5-K7 VanDerWaalsContact C-N 3.34Å; K5-E8 PolarHBondContact O-N 3.45Å; K5-L9 WeakPolarHBondContact O-CG 3.27Å; K5-L9 PolarHBondContact O-N 3.25Å
6L83.9Confident81.5Confident30 Ų3080.4 Ų80.416%0.15740%0.399CS..Hα-helixtrans-62.9-42.9175.7-179.361.6000111.1E2 E8 L9 L10 I31 T34 I41E2-L6 PolarHBondContact O-N 3.14Å; L6-E8 VanDerWaalsContact C-N 3.3Å; L6-E8 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 3.46Å; L6-L10 HydrophobicContact CD1-CD1 4.15Å; L6-L10 HydrophobicContact CD1-CG 4Å; L6-L10 HydrophobicContact CD2-CD1 4.47Å; L6-L10 HydrophobicContact CG-CD1 3.92Å; L6-L10 HydrophobicContact CG-CG 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 2.87Å; L6-I31 HydrophobicContact CB-CD1 4.34Å; L6-I31 HydrophobicContact CD2-CD1 4.12Å; L6-I31 HydrophobicContact CD2-CG2 4.42Å; L6-I31 HydrophobicContact CG-CD1 3.99Å; L6-T34 HydrophobicContact CD2-CG2 3.45Å; L6-T34 VanDerWaalsContact CD2-CG2 3.45Å; L6-I41 HydrophobicContact CD1-CD1 3.85Å
7K86.2Confident82Confident58 Ų5880.3 Ų80.325%0.25240%0.4SS..Hα-helixtrans-56.9-41.7174.3-175.7169.8-178.6166.20112.3N3 Q4 K5 Q11 I28 D29 I31N3-K7 WeakPolarHBondContact O-CB 3.44Å; N3-K7 PolarHBondContact O-N 3.28Å; Q4-K7 WeakPolarHBondContact O-CB 3.44Å; Q4-K7 PolarHBondContact O-N 2.75Å; K5-K7 VanDerWaalsContact C-N 3.34Å; K7-Q11 WeakPolarHBondContact O-CB 3.46Å; K7-Q11 PolarHBondContact O-N 2.87Å; K7-I28 HydrophobicContact CD-CG2 4.32Å; K7-I28 WeakPolarHBondContact CE-O 3.44Å; K7-I28 HydrophobicContact CG-CB 4.09Å; K7-I28 HydrophobicContact CG-CG2 3.93Å; K7-I28 PolarHBondContact NZ-O 3.07Å; K7-D29 PolarHBondContact NZ-O 2.83Å; K7-I31 HydrophobicContact CB-CD1 3.9Å
8E89.8Confident82.3Confident105 Ų10584.4 Ų84.449%0.49142%0.417SS..Hα-helixtrans-66.8-41.4175.3-73.1174-166.900113Q4 K5 L6 Q11 K12Q4-E8 WeakPolarHBondContact O-CG 3.05Å; Q4-E8 PolarHBondContact O-N 2.89Å; K5-E8 PolarHBondContact O-N 3.45Å; L6-E8 VanDerWaalsContact C-N 3.3Å; L6-E8 PolarHBondContact O-N 3.4Å; E8-Q11 PolarHBondContact O-N 2.97Å; E8-K12 WeakPolarHBondContact O-CG 2.86Å; E8-K12 PolarHBondContact O-N 2.91Å
9L90.1Very high82.5Confident47 Ų4781.5 Ų81.525%0.24641%0.405CS..Hα-helixtrans-64.8-46.7176.8-73.3175.2000111.9K5 L6 Q11 K12 A13 F80 Q85K5-L9 WeakPolarHBondContact O-CG 3.27Å; K5-L9 PolarHBondContact O-N 3.25Å; L6-L9 PolarHBondContact O-N 3.46Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 2.89Å; L9-K12 WeakPolarHBondContact O-CB 3.27Å; L9-K12 PolarHBondContact O-N 3.33Å; L9-A13 PolarHBondContact O-N 2.86Å; L9-F80 HydrophobicContact CB-CZ 3.86Å; L9-F80 HydrophobicContact CD1-CZ 4.44Å; L9-Q85 HydrophobicContact CD2-CG 4.18Å
10L90.5Very high82.5Confident0 Ų083.7 Ų83.70%041%0.414CS..Hα-helixtrans-63.9-39.3175.4-69177.1000111L6 K12 A13 L14 I28 I31 V43 F45 F80 L87L6-L10 HydrophobicContact CD1-CD1 4.15Å; L6-L10 HydrophobicContact CD1-CG 4Å; L6-L10 HydrophobicContact CD2-CD1 4.47Å; L6-L10 HydrophobicContact CG-CD1 3.92Å; L6-L10 HydrophobicContact CG-CG 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 2.87Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 3.48Å; L10-A13 PolarHBondContact O-N 3.39Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.3Å; L10-I28 VanDerWaalsContact C-CD1 3.48Å; L10-I28 HydrophobicContact CB-CD1 3.19Å; L10-I28 HydrophobicContact CD1-CD1 4.4Å; L10-I28 HydrophobicContact CG-CD1 4.43Å; L10-I31 HydrophobicContact CD1-CD1 3.79Å; L10-I31 HydrophobicContact CD1-CG1 4.21Å; L10-V43 HydrophobicContact CD1-CB 4.34Å; L10-V43 HydrophobicContact CD1-CG1 4.36Å; L10-V43 HydrophobicContact CD1-CG2 4.3Å; L10-V43 HydrophobicContact CD2-CG1 4.45Å; L10-V43 HydrophobicContact CD2-CG2 3.86Å; L10-F45 HydrophobicContact CD1-CD1 4.35Å; L10-F80 HydrophobicContact CD2-CB 4.04Å; L10-F80 HydrophobicContact CD2-CD2 3.57Å; L10-F80 HydrophobicContact CD2-CE2 4.13Å; L10-F80 HydrophobicContact CD2-CG 3.82Å; L10-L87 HydrophobicContact CD2-CD2 4.13Å
11Q92.3Very high82.2Confident37 Ų3779.9 Ų79.917%0.17340%0.395CS..Hα-helixtrans-62.3-39.4175.9-174.86664.200111.4K7 E8 L9 N15 A26 I27 I28K7-Q11 WeakPolarHBondContact O-CB 3.46Å; K7-Q11 PolarHBondContact O-N 2.87Å; E8-Q11 PolarHBondContact O-N 2.97Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 2.89Å; Q11-N15 PolarHBondContact NE2-OD1 2.76Å; Q11-N15 WeakPolarHBondContact O-CB 3.45Å; Q11-N15 PolarHBondContact O-N 3.48Å; Q11-N15 PolarHBondContact O-ND2 2.81Å; Q11-N15 PolarHBondContact O-OD1 2.78Å; Q11-A26 PolarHBondContact NE2-O 3.29Å; Q11-I27 VanDerWaalsContact OE1-CA 3.3Å; Q11-I28 HydrophobicContact CB-CD1 4.28Å; Q11-I28 VanDerWaalsContact N-CD1 3.33Å
12K91.5Very high84Confident125 Ų12574.2 Ų74.254%0.54337%0.366SS..Hα-helixtrans-63-44.3173.2-74.2173.6-178.1176.70111.5E8 L9 L10 N15 A16E8-K12 WeakPolarHBondContact O-CG 2.86Å; E8-K12 PolarHBondContact O-N 2.91Å; L9-K12 WeakPolarHBondContact O-CB 3.27Å; L9-K12 PolarHBondContact O-N 3.33Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 3.48Å; K12-N15 PolarHBondContact O-N 3.35Å; K12-A16 WeakPolarHBondContact O-CB 3.45Å; K12-A16 PolarHBondContact O-N 2.88Å
13A92.4Very high85.1Confident1 Ų175.8 Ų75.81%0.00837%0.37CS..Hα-helixtrans-62.8-43.3177.400000112.1L9 L10 N15 A16 L17 F80 L87L9-A13 PolarHBondContact O-N 2.86Å; L10-A13 PolarHBondContact O-N 3.39Å; A13-N15 PolarHBondContact O-N 2.91Å; A13-A16 PolarHBondContact O-N 3.47Å; A13-L17 WeakPolarHBondContact O-CG 3.29Å; A13-L17 PolarHBondContact O-N 2.84Å; A13-F80 HydrophobicContact CB-CD2 4.45Å; A13-F80 HydrophobicContact CB-CE2 4.13Å; A13-L87 HydrophobicContact CB-CD1 3.94Å; A13-L87 HydrophobicContact CB-CG 3.98Å
14L91.2Very high85.6Confident1 Ų172.2 Ų72.21%0.00535%0.352CS..Hα-helixtrans-60.7-43.6174.3-72.4178.8000112.4L10 A16 L17 H18 V19 I28 F45 I47 L87 L90L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.3Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-L17 CarbonylContact O-C 3.54Å; L14-L17 PolarHBondContact O-N 3.44Å; L14-H18 PolarHBondContact O-N 2.85Å; L14-H18 VanDerWaalsContact O-N 3.13Å; L14-V19 HydrophobicContact CB-CB 4.42Å; L14-V19 HydrophobicContact CD2-CB 3.95Å; L14-V19 HydrophobicContact CD2-CG1 4.12Å; L14-V19 HydrophobicContact CD2-CG2 3.73Å; L14-V19 PolarHBondContact O-N 3.01Å; L14-I28 HydrophobicContact CD1-CD1 3.79Å; L14-I28 HydrophobicContact CD1-CG1 3.41Å; L14-I28 VanDerWaalsContact CD1-CG1 3.41Å; L14-F45 HydrophobicContact CD1-CE2 3.86Å; L14-F45 HydrophobicContact CD2-CE2 4.03Å; L14-F45 HydrophobicContact CD2-CZ 4.01Å; L14-F45 HydrophobicContact CG-CE2 4.32Å; L14-I47 HydrophobicContact CD1-CG2 3.8Å; L14-L87 HydrophobicContact CD2-CD1 4.05Å; L14-L87 HydrophobicContact CG-CD1 4.45Å; L14-L90 HydrophobicContact CD2-CD2 3.75Å
15N90.2Very high85.9Confident87 Ų8769.5 Ų69.547%0.46535%0.35SS..Hα-helixtrans-63.9-40.2177.7-69.1-13.1000111.4Q11 K12 A13 L17 H18Q11-N15 PolarHBondContact NE2-OD1 2.76Å; Q11-N15 WeakPolarHBondContact O-CB 3.45Å; Q11-N15 PolarHBondContact O-N 3.48Å; Q11-N15 PolarHBondContact O-ND2 2.81Å; Q11-N15 PolarHBondContact O-OD1 2.78Å; K12-N15 PolarHBondContact O-N 3.35Å; A13-N15 PolarHBondContact O-N 2.91Å; N15-L17 VanDerWaalsContact C-N 3.35Å; N15-H18 PolarHBondContact O-N 2.72Å; N15-H18 VanDerWaalsContact O-N 3.17Å
16A89.9Confident86Confident72 Ų7262.7 Ų62.760%0.59532%0.32SS*.Hα-helixtrans-67-34.7177.500000112.6K12 A13 L14 H18K12-A16 WeakPolarHBondContact O-CB 3.45Å; K12-A16 PolarHBondContact O-N 2.88Å; A13-A16 PolarHBondContact O-N 3.47Å; L14-A16 VanDerWaalsContact C-N 3.33Å; A16-H18 PolarHBondContact O-N 2.92Å
17L88.9Confident86.1Confident79 Ų7964.6 Ų64.641%0.41433%0.33SS..THydrogen-bonded Turntrans-80.90.5173.5-70.6180000113.8A13 L14 N15 V19 L87 L90A13-L17 WeakPolarHBondContact O-CG 3.29Å; A13-L17 PolarHBondContact O-N 2.84Å; L14-L17 CarbonylContact O-C 3.54Å; L14-L17 PolarHBondContact O-N 3.44Å; N15-L17 VanDerWaalsContact C-N 3.35Å; L17-V19 HydrophobicContact CB-CG2 3.81Å; L17-V19 PolarHBondContact O-N 3.3Å; L17-L87 HydrophobicContact CD1-CB 3.71Å; L17-L87 HydrophobicContact CD1-CD1 4.33Å; L17-L90 HydrophobicContact CD1-CD2 4.28Å
18H87.9Confident86Confident154 Ų15462 Ų6271%0.71332%0.319SS*.THydrogen-bonded Turntrans52.338.4-176.3-60.7-62.6000113.9L14 N15 A16 Q20L14-H18 PolarHBondContact O-N 2.85Å; L14-H18 VanDerWaalsContact O-N 3.13Å; N15-H18 PolarHBondContact O-N 2.72Å; N15-H18 VanDerWaalsContact O-N 3.17Å; A16-H18 PolarHBondContact O-N 2.92Å; H18-Q20 PolarHBondContact O-N 2.62Å
19V86Confident85.6Confident30 Ų3059.8 Ų59.818%0.18231%0.31CS..  trans-67.1123.5179.8-178.20000109.7L14 L17 A26 I47 L90L14-V19 HydrophobicContact CB-CB 4.42Å; L14-V19 HydrophobicContact CD2-CB 3.95Å; L14-V19 HydrophobicContact CD2-CG1 4.12Å; L14-V19 HydrophobicContact CD2-CG2 3.73Å; L14-V19 PolarHBondContact O-N 3.01Å; L17-V19 HydrophobicContact CB-CG2 3.81Å; L17-V19 PolarHBondContact O-N 3.3Å; V19-A26 HydrophobicContact CG1-CB 4.18Å; V19-A26 WeakPolarHBondContact O-CB 3.42Å; V19-A26 PolarHBondContact O-N 3.47Å; V19-I47 HydrophobicContact CG1-CD1 4.25Å; V19-L90 HydrophobicContact CG1-CD2 4.38Å; V19-L90 HydrophobicContact CG2-CD2 3.45Å; V19-L90 VanDerWaalsContact CG2-CD2 3.45Å
20Q82.4Confident84.8Confident125 Ų12559 Ų5958%0.58431%0.311SS*.EExtended strand (participates in β ladder)trans-108.2142.3178.6-64-175.58.200110.6H18 S24H18-Q20 PolarHBondContact O-N 2.62Å; Q20-S24 CarbonylContact C-O 3.44Å; Q20-S24 WeakPolarHBondContact CA-O 3.49Å
21F76.5Confident84.1Confident4 Ų460 Ų602%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-96.8107.1165.8-168.9-77.3000108.4K23 S24 A26 I47 P49 K72 Q74F21-K23 PolarHBondContact O-N 3.47Å; F21-S24 PolarHBondContact N-O 3.48Å; F21-S24 PolarHBondContact O-N 2.96Å; F21-A26 HydrophobicContact CB-CB 4.23Å; F21-I47 HydrophobicContact CD2-CD1 4.1Å; F21-I47 HydrophobicContact CD2-CG1 3.98Å; F21-I47 HydrophobicContact CE2-CG1 4.47Å; F21-I47 WeakPolarHBondContact CE2-O 3.37Å; F21-P49 HydrophobicContact CB-CB 4.48Å; F21-P49 HydrophobicContact CD1-CB 3.89Å; F21-P49 HydrophobicContact CD1-CG 4.17Å; F21-P49 HydrophobicContact CE1-CG 4.33Å; F21-P49 HydrophobicContact CG-CB 4.3Å; F21-K72 HydrophobicContact CE1-CB 4.17Å; F21-K72 HydrophobicContact CZ-CB 3.83Å; F21-K72 VanDerWaalsContact CZ-O 3.32Å; F21-K72 WeakPolarHBondContact CZ-O 3.35Å; F21-Q74 HydrophobicContact CD2-CB 4.4Å; F21-Q74 HydrophobicContact CD2-CG 4.1Å; F21-Q74 HydrophobicContact CE2-CB 3.96Å; F21-Q74 HydrophobicContact CE2-CG 3.54Å; F21-Q74 HydrophobicContact CZ-CG 4.18Å
22E74.9Confident83.3Confident103 Ų10361.9 Ų61.948%0.48132%0.322SS..THydrogen-bonded Turntrans54.1-94.5-171.2-60.1-179.4167.300111.7K72E22-K72 WeakPolarHBondContact OE1-CD 3.44Å; E22-K72 IonicContact OE1-NZ 3.17Å; E22-K72 PolarHBondContact OE1-NZ 2.84Å
23K75.1Confident82.5Confident184 Ų18461.3 Ų61.380%0.832%0.32SS*.THydrogen-bonded Turntrans-122.57.2177.4-62.8-178.1-179.71780113.6F21F21-K23 PolarHBondContact O-N 3.47Å
24S76.5Confident81.9Confident15 Ų1564.9 Ų64.911%0.10534%0.341CS..EExtended strand (participates in β ladder)trans-113.6159.5-177.4-64.30000110.6Q20 F21Q20-S24 CarbonylContact C-O 3.44Å; Q20-S24 WeakPolarHBondContact CA-O 3.49Å; F21-S24 PolarHBondContact N-O 3.48Å; F21-S24 PolarHBondContact O-N 2.96Å
25A83.1Confident81.3Confident58 Ų5868.7 Ų68.748%0.47936%0.364SS..EExtended strand (participates in β ladder)trans-60.1140.9168.700000110A50A25-A50 HydrophobicContact CB-CB 3.91Å; A25-A50 WeakPolarHBondContact O-CB 3.36Å; A25-A50 PolarHBondContact O-N 2.74Å
26A86.3Confident80.7Confident2 Ų266.6 Ų66.62%0.01736%0.364CS..EExtended strand (participates in β ladder)trans-83.7132.9175.500000110.9Q11 V19 F21 I47Q11-A26 PolarHBondContact NE2-O 3.29Å; V19-A26 HydrophobicContact CG1-CB 4.18Å; V19-A26 WeakPolarHBondContact O-CB 3.42Å; V19-A26 PolarHBondContact O-N 3.47Å; F21-A26 HydrophobicContact CB-CB 4.23Å; A26-I47 HydrophobicContact CB-CB 4.21Å; A26-I47 HydrophobicContact CB-CD1 3.84Å; A26-I47 HydrophobicContact CB-CG2 4.48Å
27I86.6Confident79.6Confident70 Ų7070.2 Ų70.236%0.35937%0.373SS..EExtended strand (participates in β ladder)trans-110.9145.516752.5164.8000110.2Q11 D29 I47 A48 A50Q11-I27 VanDerWaalsContact OE1-CA 3.3Å; I27-D29 PolarHBondContact O-N 3.17Å; I27-I47 CarbonylContact O-C 3.45Å; I27-I47 WeakPolarHBondContact O-CA 3.34Å; I27-I47 WeakPolarHBondContact O-CB 3.38Å; I27-A48 HydrophobicContact CD1-CB 4.49Å; I27-A48 HydrophobicContact CG1-CB 4.16Å; I27-A48 WeakPolarHBondContact CG1-O 3.48Å; I27-A48 PolarHBondContact N-O 2.05Å; I27-A48 PolarHBondContact O-N 3.46Å; I27-A50 HydrophobicContact CG2-CB 3.69Å
28I84.7Confident78.5Confident4 Ų468 Ų682%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-72.5124.1171.8-59.8-177000108.9K7 L10 Q11 L14 I31 F45 S46K7-I28 HydrophobicContact CD-CG2 4.32Å; K7-I28 WeakPolarHBondContact CE-O 3.44Å; K7-I28 HydrophobicContact CG-CB 4.09Å; K7-I28 HydrophobicContact CG-CG2 3.93Å; K7-I28 PolarHBondContact NZ-O 3.07Å; L10-I28 VanDerWaalsContact C-CD1 3.48Å; L10-I28 HydrophobicContact CB-CD1 3.19Å; L10-I28 HydrophobicContact CD1-CD1 4.4Å; L10-I28 HydrophobicContact CG-CD1 4.43Å; Q11-I28 HydrophobicContact CB-CD1 4.28Å; Q11-I28 VanDerWaalsContact N-CD1 3.33Å; L14-I28 HydrophobicContact CD1-CD1 3.79Å; L14-I28 HydrophobicContact CD1-CG1 3.41Å; L14-I28 VanDerWaalsContact CD1-CG1 3.41Å; I28-I31 HydrophobicContact CG2-CG1 4.19Å; I28-F45 HydrophobicContact CD1-CD2 4.38Å; I28-F45 HydrophobicContact CG1-CD2 4.26Å; I28-F45 HydrophobicContact CG1-CE2 4.49Å; I28-F45 HydrophobicContact CG2-CD2 4.47Å; I28-S46 WeakPolarHBondContact CA-O 3.32Å
29D79.7Confident78.3Confident57 Ų5765.4 Ų65.431%0.30536%0.359SS..EExtended strand (participates in β ladder)trans-88.7-62.8175.7-168.337000109.8K7 I27 S46 A48 R73K7-D29 PolarHBondContact NZ-O 2.83Å; I27-D29 PolarHBondContact O-N 3.17Å; D29-S46 PolarHBondContact N-O 3.06Å; D29-A48 HydrophobicContact CB-CB 4.21Å; D29-R73 IonicContact OD2-CZ 3.39Å; D29-R73 IonicContact OD2-NE 2.7Å; D29-R73 PolarHBondContact OD2-NE 3.31Å; D29-R73 IonicContact OD2-NH2 3.23Å; D29-R73 PolarHBondContact OD2-NH2 3.13Å
30A73.5Confident78.2Confident32 Ų3266.7 Ų66.726%0.26437%0.367SS..EExtended strand (participates in β ladder)trans-137.1157.3178.300000112.6Y32 F45 S46A30-Y32 HydrophobicContact CB-CE1 4.19Å; A30-F45 CarbonylContact O-C 3.55Å; A30-F45 WeakPolarHBondContact O-CA 3.25Å; A30-F45 VanDerWaalsContact O-CB 3.26Å; A30-F45 WeakPolarHBondContact O-CB 3.14Å; A30-S46 PolarHBondContact N-OG 2.82Å; A30-S46 VanDerWaalsContact N-OG 3.13Å; A30-S46 PolarHBondContact O-N 3.17Å; A30-S46 PolarHBondContact O-OG 3.34Å
31I76.5Confident78.5Confident20 Ų2061.9 Ų61.910%0.10335%0.346CS..EExtended strand (participates in β ladder)trans-113.6122.6170.5-62.3167.8000106.7N3 L6 K7 L10 I28 T34 F45N3-I31 WeakPolarHBondContact OD1-CB 3.3Å; N3-I31 VanDerWaalsContact OD1-CD1 3.31Å; N3-I31 WeakPolarHBondContact OD1-CD1 3.31Å; L6-I31 HydrophobicContact CB-CD1 4.34Å; L6-I31 HydrophobicContact CD2-CD1 4.12Å; L6-I31 HydrophobicContact CD2-CG2 4.42Å; L6-I31 HydrophobicContact CG-CD1 3.99Å; K7-I31 HydrophobicContact CB-CD1 3.9Å; L10-I31 HydrophobicContact CD1-CD1 3.79Å; L10-I31 HydrophobicContact CD1-CG1 4.21Å; I28-I31 HydrophobicContact CG2-CG1 4.19Å; I31-T34 HydrophobicContact CG2-CG2 3.82Å; I31-F45 HydrophobicContact CB-CB 4.46Å; I31-F45 HydrophobicContact CG1-CB 4.01Å
32Y74.8Confident78.9Confident77 Ų7764.7 Ų64.730%0.30236%0.361SS..EExtended strand (participates in β ladder)trans-97.7-39.2-174.2-57.9-71.3000112.5A30 E44 S46 L75 F95A30-Y32 HydrophobicContact CB-CE1 4.19Å; Y32-E44 HydrophobicContact CD2-CG 4.47Å; Y32-E44 PolarHBondContact N-O 2.84Å; Y32-S46 WeakPolarHBondContact CE2-OG 3.36Å; Y32-S46 WeakPolarHBondContact OH-CB 3.49Å; Y32-S46 PolarHBondContact OH-OG 2.79Å; Y32-L75 HydrophobicContact CD2-CD1 3.66Å; Y32-L75 HydrophobicContact CE2-CD1 3.57Å; Y32-F95 HydrophobicContact CE2-CE2 4.38Å
33K74.7Confident79.3Confident113 Ų11359.8 Ų59.849%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-147.8142-173.7-171.6171.5177.4174.80111.2V35 V43 E44K33-V35 HydrophobicContact CD-CG2 4.21Å; K33-V35 HydrophobicContact CG-CG2 3.88Å; K33-V43 CarbonylContact O-C 3.48Å; K33-V43 WeakPolarHBondContact O-CA 3.1Å; K33-E44 HydrophobicContact CB-CB 3.89Å; K33-E44 PolarHBondContact N-O 2.97Å; K33-E44 PolarHBondContact O-N 3.31Å
34T80.5Confident79.5Confident75 Ų7552.7 Ų52.746%0.4631%0.308SS..EExtended strand (participates in β ladder)trans-138.6112.5174.456.50000107.6L6 I31 N42 V43L6-T34 HydrophobicContact CD2-CG2 3.45Å; L6-T34 VanDerWaalsContact CD2-CG2 3.45Å; I31-T34 HydrophobicContact CG2-CG2 3.82Å; T34-N42 CarbonylContact C-O 3.57Å; T34-N42 WeakPolarHBondContact CA-O 3.23Å; T34-V43 HydrophobicContact CG2-CG1 4.18Å
35V78.8Confident79.7Confident81 Ų8152 Ų5249%0.49130%0.303SS..EExtended strand (participates in β ladder)trans-134.2129.1179.91760000109.2K33 N42K33-V35 HydrophobicContact CD-CG2 4.21Å; K33-V35 HydrophobicContact CG-CG2 3.88Å; V35-N42 PolarHBondContact N-O 3Å; V35-N42 WeakPolarHBondContact O-CA 3.43Å; V35-N42 WeakPolarHBondContact O-CB 3.41Å; V35-N42 PolarHBondContact O-N 3.48Å
36G76.8Confident79.7Confident44 Ų4449.2 Ų49.245%0.45428%0.28SS..  trans154.9169.817200000112.3
37D66.5Low79.4Confident147 Ų14749.1 Ų49.179%0.78628%0.279SS*.  trans-98.9142.6-176.5-52.3-28.2000108.4I39 T40D37-I39 PolarHBondContact O-N 2.97Å; D37-T40 PolarHBondContact O-N 2.93Å; D37-T40 VanDerWaalsContact O-O 3.14Å
38G66.7Low79.1Confident33 Ų3346.4 Ų46.434%0.3427%0.267SS..THydrogen-bonded Turntrans-47.64.5-156.700000121.7I82G38-I82 WeakPolarHBondContact O-CD1 3.39Å
39I82.9Confident78.8Confident99 Ų9947.1 Ų47.151%0.50827%0.272SS..THydrogen-bonded Turntrans-93.6-47168.2-57.4175.1000110.9D37 E81 I82D37-I39 PolarHBondContact O-N 2.97Å; I39-E81 WeakPolarHBondContact O-CA 3.33Å; I39-I82 PolarHBondContact O-N 2.84Å
40T85.8Confident78.6Confident57 Ų5746 Ų4635%0.3527%0.271SS..EExtended strand (participates in β ladder)trans-135.7124.3-175-560000109.7D37 D79 F80D37-T40 PolarHBondContact O-N 2.93Å; D37-T40 VanDerWaalsContact O-O 3.14Å; T40-D79 HydrophobicContact CG2-CB 3.95Å; T40-F80 WeakPolarHBondContact CA-O 3.25Å
41I87.7Confident78.2Confident24 Ų2446.1 Ų46.112%0.12327%0.269CS..EExtended strand (participates in β ladder)trans-110.7127.8175.958.3175.8000109.5L6 V43 F80 I82L6-I41 HydrophobicContact CD1-CD1 3.85Å; I41-V43 HydrophobicContact CD1-CG1 3.9Å; I41-V43 HydrophobicContact CG1-CG1 3.9Å; I41-F80 HydrophobicContact CD1-CB 4.47Å; I41-F80 HydrophobicContact CD1-CD1 3.82Å; I41-F80 HydrophobicContact CG1-CB 3.84Å; I41-F80 HydrophobicContact CG1-CD1 3.84Å; I41-F80 HydrophobicContact CG1-CG 4.33Å; I41-F80 PolarHBondContact N-O 2.92Å; I41-F80 PolarHBondContact O-N 3.28Å; I41-I82 HydrophobicContact CD1-CD1 4.48Å; I41-I82 HydrophobicContact CD1-CG1 4.39Å; I41-I82 HydrophobicContact CG1-CD1 4.5Å; I41-I82 HydrophobicContact CG1-CG1 4.34Å; I41-I82 HydrophobicContact CG2-CD1 3.82Å
42N85.7Confident77.2Confident64 Ų6454.5 Ų54.534%0.34230%0.299SS..EExtended strand (participates in β ladder)trans-75.6123.4165.6-171.8-94.6000108.6T34 V35 G78 D79T34-N42 CarbonylContact C-O 3.57Å; T34-N42 WeakPolarHBondContact CA-O 3.23Å; V35-N42 PolarHBondContact N-O 3Å; V35-N42 WeakPolarHBondContact O-CA 3.43Å; V35-N42 WeakPolarHBondContact O-CB 3.41Å; V35-N42 PolarHBondContact O-N 3.48Å; N42-G78 CarbonylContact C-O 3.55Å; N42-G78 WeakPolarHBondContact CA-O 3.08Å; N42-D79 PolarHBondContact ND2-OD1 3.29Å
43V81.9Confident76Confident0 Ų058.8 Ų58.80%032%0.322CS..EExtended strand (participates in β ladder)trans-117.8138.3-177.7-64.10000110.5L10 K33 T34 I41 F45 T77 G78 F80 L87L10-V43 HydrophobicContact CD1-CB 4.34Å; L10-V43 HydrophobicContact CD1-CG1 4.36Å; L10-V43 HydrophobicContact CD1-CG2 4.3Å; L10-V43 HydrophobicContact CD2-CG1 4.45Å; L10-V43 HydrophobicContact CD2-CG2 3.86Å; K33-V43 CarbonylContact O-C 3.48Å; K33-V43 WeakPolarHBondContact O-CA 3.1Å; T34-V43 HydrophobicContact CG2-CG1 4.18Å; I41-V43 HydrophobicContact CD1-CG1 3.9Å; I41-V43 HydrophobicContact CG1-CG1 3.9Å; V43-F45 HydrophobicContact CB-CD1 4.21Å; V43-F45 HydrophobicContact CG2-CD1 3.78Å; V43-F45 HydrophobicContact CG2-CE1 3.72Å; V43-T77 CarbonylContact O-C 3.12Å; V43-T77 WeakPolarHBondContact O-CA 3.45Å; V43-G78 VanDerWaalsContact CG2-O 3.29Å; V43-G78 WeakPolarHBondContact CG2-O 3.49Å; V43-G78 PolarHBondContact N-O 3.41Å; V43-G78 PolarHBondContact O-N 2.97Å; V43-F80 HydrophobicContact CG1-CB 4.38Å; V43-F80 HydrophobicContact CG2-CB 4.32Å; V43-L87 HydrophobicContact CG2-CD2 4.09Å
44E80.9Confident74.5Confident35 Ų3562.6 Ų62.616%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-119.3121.1170.8-169.3172.215000108.4Y32 K33 L75 C76 T77Y32-E44 HydrophobicContact CD2-CG 4.47Å; Y32-E44 PolarHBondContact N-O 2.84Å; K33-E44 HydrophobicContact CB-CB 3.89Å; K33-E44 PolarHBondContact N-O 2.97Å; K33-E44 PolarHBondContact O-N 3.31Å; E44-L75 HydrophobicContact CG-CD1 3.85Å; E44-L75 HydrophobicContact CG-CG 4.29Å; E44-C76 WeakPolarHBondContact CA-O 3.36Å; E44-T77 HydrophobicContact CB-CG2 4.48Å; E44-T77 HydrophobicContact CG-CG2 4.03Å
45F79.9Confident72.8Confident0 Ų062.7 Ų62.70%033%0.334CS..EExtended strand (participates in β ladder)trans-149.4153.5-172.261.6-86.8000111.2L10 L14 I28 A30 I31 V43 I47 C76 L87 L90L10-F45 HydrophobicContact CD1-CD1 4.35Å; L14-F45 HydrophobicContact CD1-CE2 3.86Å; L14-F45 HydrophobicContact CD2-CE2 4.03Å; L14-F45 HydrophobicContact CD2-CZ 4.01Å; L14-F45 HydrophobicContact CG-CE2 4.32Å; I28-F45 HydrophobicContact CD1-CD2 4.38Å; I28-F45 HydrophobicContact CG1-CD2 4.26Å; I28-F45 HydrophobicContact CG1-CE2 4.49Å; I28-F45 HydrophobicContact CG2-CD2 4.47Å; A30-F45 CarbonylContact O-C 3.55Å; A30-F45 WeakPolarHBondContact O-CA 3.25Å; A30-F45 VanDerWaalsContact O-CB 3.26Å; A30-F45 WeakPolarHBondContact O-CB 3.14Å; I31-F45 HydrophobicContact CB-CB 4.46Å; I31-F45 HydrophobicContact CG1-CB 4.01Å; V43-F45 HydrophobicContact CB-CD1 4.21Å; V43-F45 HydrophobicContact CG2-CD1 3.78Å; V43-F45 HydrophobicContact CG2-CE1 3.72Å; F45-I47 HydrophobicContact CD2-CG2 3.89Å; F45-I47 HydrophobicContact CE2-CG2 3.67Å; F45-C76 HydrophobicContact CD1-CB 4.34Å; F45-C76 HydrophobicContact CD2-CB 3.93Å; F45-C76 HydrophobicContact CE1-CB 3.94Å; F45-C76 HydrophobicContact CE2-CB 3.48Å; F45-C76 VanDerWaalsContact CE2-CB 3.48Å; F45-C76 HydrophobicContact CG-CB 4.34Å; F45-C76 HydrophobicContact CZ-CB 3.5Å; F45-C76 PolarHBondContact N-O 3.23Å; F45-C76 WeakPolarHBondContact O-CA 3.2Å; F45-C76 PolarHBondContact O-N 3.36Å; F45-L87 HydrophobicContact CZ-CD1 4.4Å; F45-L90 HydrophobicContact CE1-CD1 4.2Å; F45-L90 HydrophobicContact CZ-CD1 3.69Å
46S82.5Confident71Confident0 Ų062.9 Ų62.90%034%0.339CS..EExtended strand (participates in β ladder)trans-96.3146172.847.30000111.5I28 D29 A30 Y32 Q74I28-S46 WeakPolarHBondContact CA-O 3.32Å; D29-S46 PolarHBondContact N-O 3.06Å; A30-S46 PolarHBondContact N-OG 2.82Å; A30-S46 VanDerWaalsContact N-OG 3.13Å; A30-S46 PolarHBondContact O-N 3.17Å; A30-S46 PolarHBondContact O-OG 3.34Å; Y32-S46 WeakPolarHBondContact CE2-OG 3.36Å; Y32-S46 WeakPolarHBondContact OH-CB 3.49Å; Y32-S46 PolarHBondContact OH-OG 2.79Å; S46-Q74 CarbonylContact C-O 3.49Å; S46-Q74 VanDerWaalsContact CA-O 3.25Å; S46-Q74 WeakPolarHBondContact CA-O 3.46Å
47I81.4Confident69.5Low0 Ų068.9 Ų68.90%035%0.352CS..EExtended strand (participates in β ladder)trans-116149.8168.761.6169.3000111.3L14 V19 F21 A26 I27 F45 R73 Q74L14-I47 HydrophobicContact CD1-CG2 3.8Å; V19-I47 HydrophobicContact CG1-CD1 4.25Å; F21-I47 HydrophobicContact CD2-CD1 4.1Å; F21-I47 HydrophobicContact CD2-CG1 3.98Å; F21-I47 HydrophobicContact CE2-CG1 4.47Å; F21-I47 WeakPolarHBondContact CE2-O 3.37Å; A26-I47 HydrophobicContact CB-CB 4.21Å; A26-I47 HydrophobicContact CB-CD1 3.84Å; A26-I47 HydrophobicContact CB-CG2 4.48Å; I27-I47 CarbonylContact O-C 3.45Å; I27-I47 WeakPolarHBondContact O-CA 3.34Å; I27-I47 WeakPolarHBondContact O-CB 3.38Å; F45-I47 HydrophobicContact CD2-CG2 3.89Å; F45-I47 HydrophobicContact CE2-CG2 3.67Å; I47-R73 WeakPolarHBondContact O-CA 3.49Å; I47-Q74 HydrophobicContact CD1-CB 4.08Å; I47-Q74 HydrophobicContact CG1-CB 3.68Å; I47-Q74 PolarHBondContact N-O 2.96Å; I47-Q74 PolarHBondContact O-N 3.17Å
48A79Confident68.6Low13 Ų1372 Ų7211%0.10735%0.354CS..EExtended strand (participates in β ladder)trans-132.1163.1177.400000109.8I27 D29I27-A48 HydrophobicContact CD1-CB 4.49Å; I27-A48 HydrophobicContact CG1-CB 4.16Å; I27-A48 WeakPolarHBondContact CG1-O 3.48Å; I27-A48 PolarHBondContact N-O 2.05Å; I27-A48 PolarHBondContact O-N 3.46Å; D29-A48 HydrophobicContact CB-CB 4.21Å
49P79Confident67.5Low18 Ų1874.8 Ų74.812%0.11736%0.362CS..EExtended strand (participates in β ladder)trans-69.6136.8175.828.7-34.8000111.4F21 C51F21-P49 HydrophobicContact CB-CB 4.48Å; F21-P49 HydrophobicContact CD1-CB 3.89Å; F21-P49 HydrophobicContact CD1-CG 4.17Å; F21-P49 HydrophobicContact CE1-CG 4.33Å; F21-P49 HydrophobicContact CG-CB 4.3Å; P49-C51 PolarHBondContact O-N 2.9Å
50A75.9Confident65.6Low34 Ų3476.1 Ų76.128%0.28137%0.37SS..  trans-72.668.9176.100000111.8A25 I27 R52A25-A50 HydrophobicContact CB-CB 3.91Å; A25-A50 WeakPolarHBondContact O-CB 3.36Å; A25-A50 PolarHBondContact O-N 2.74Å; I27-A50 HydrophobicContact CG2-CB 3.69Å; A50-R52 PolarHBondContact O-N 3.32Å
51C65.5Low63.5Low34 Ų3477.2 Ų77.223%0.2338%0.378CS..  trans-77.7108.5178.1-58.80000110.3P49 E53 C66 V68P49-C51 PolarHBondContact O-N 2.9Å; C51-E53 PolarHBondContact O-N 3.41Å; C51-E53 VanDerWaalsContact O-N 3.14Å; C51-C66 WeakPolarHBondContact CA-SG 3.14Å; C51-C66 HydrophobicContact CB-CB 4.03Å; C51-C66 WeakPolarHBondContact CB-SG 3.46Å; C51-C66 PolarHBondContact N-SG 3.19Å; C51-C66 VanDerWaalsContact SG-CA 3.58Å; C51-C66 WeakPolarHBondContact SG-CB 3.47Å; C51-C66 CovalentContact SG-SG 2.04Å; C51-C66 PolarHBondContact SG-SG 3.3Å; C51-V68 HydrophobicContact CB-CG2 3.51Å
52R54.7Low61.3Low196 Ų19680.6 Ų80.674%0.7441%0.409SS*.  trans-66.7112167.7-68.2-176.6178.5-172.50.5107.6A50 K54 Q55A50-R52 PolarHBondContact O-N 3.32Å; R52-K54 PolarHBondContact O-N 2.85Å; R52-Q55 PolarHBondContact O-N 2.86Å
53E48.8Very low59.2Low167 Ų16781.1 Ų81.178%0.7842%0.423SS*.G310 helixtrans-46.3-27.5174.2-82.1-177.215000112.9C51 S56C51-E53 PolarHBondContact O-N 3.41Å; C51-E53 VanDerWaalsContact O-N 3.14Å; E53-S56 PolarHBondContact O-OG 3.2Å
54K43.5Very low57.3Low194 Ų19485.6 Ų85.684%0.84344%0.443SS*.G310 helixtrans-80.6-10.3-177.7-65.4-173.2179-179.70116.2R52 S56R52-K54 PolarHBondContact O-N 2.85Å; K54-S56 VanDerWaalsContact C-N 3.27Å
55Q45.2Very low55.5Low77 Ų7785.7 Ų85.736%0.3645%0.454SS..G310 helixtrans-79.2-11.4173.5-85.8177.2-28.800113.1R52 K57R52-Q55 PolarHBondContact O-N 2.86Å; Q55-K57 VanDerWaalsContact C-N 3.31Å; Q55-K57 PolarHBondContact O-N 3.04Å
56S40.5Very low54.2Low84 Ų8486.5 Ų86.559%0.58746%0.459SS*.G310 helixtrans-74.4-9.5-175.265.70000115.9E53 K54E53-S56 PolarHBondContact O-OG 3.2Å; K54-S56 VanDerWaalsContact C-N 3.27Å
57K44.7Very low52.7Low171 Ų17190.4 Ų90.474%0.74348%0.48SS*.G310 helixtrans-101.5-17.7-173.3-92.9-173.4175.2-1790116.2Q55Q55-K57 VanDerWaalsContact C-N 3.31Å; Q55-K57 PolarHBondContact O-N 3.04Å
58Y47.9Very low51.2Low211 Ų21195.3 Ų95.383%0.82751%0.51SS*.THydrogen-bonded Turntrans-141.6-15.5-172.1-69-74.5000115.6
59D43.5Very low49.6Very low92 Ų92103.3 Ų103.349%0.49254%0.542SS..SBendtrans-119.5135.5178.4-67.9-45.6000109.4P61D59-P61 WeakPolarHBondContact O-CD 3.36Å
60N44.1Very low48.4Very low128 Ų128104.6 Ų104.668%0.68455%0.55SS**  trans-44107.6177.6-105.7-30.4000110.3A62 A63N60-A62 PolarHBondContact O-N 2.85Å; N60-A63 HydrophobicContact CB-CB 4Å; N60-A63 WeakPolarHBondContact O-CB 3.12Å; N60-A63 PolarHBondContact O-N 3.27Å
61P41.1Very low47.4Very low80 Ų80109.1 Ų109.152%0.51957%0.569SS.*THydrogen-bonded Turntrans-64.1-20.4-174.622-30.8000112.2D59D59-P61 WeakPolarHBondContact O-CD 3.36Å
62A40.9Very low47.2Very low94 Ų94110.5 Ų110.578%0.77757%0.572SS**THydrogen-bonded Turntrans-72.6-25.1172.600000113.9N60 H64N60-A62 PolarHBondContact O-N 2.85Å; A62-H64 VanDerWaalsContact C-N 3.34Å
63A41.9Very low47.9Very low75 Ų75105 Ų10562%0.6255%0.551SS**THydrogen-bonded Turntrans-78.6-18.9-177.700000113.1N60N60-A63 HydrophobicContact CB-CB 4Å; N60-A63 WeakPolarHBondContact O-CB 3.12Å; N60-A63 PolarHBondContact O-N 3.27Å
64H41.7Very low49Very low94 Ų9499 Ų9944%0.43552%0.523SS..THydrogen-bonded Turntrans-107.610.7-179.6-71-49.7000114.4A62 C66A62-H64 VanDerWaalsContact C-N 3.34Å; H64-C66 PolarHBondContact O-N 2.86Å
65G45Very low50.6Low37 Ų3790.3 Ų90.338%0.38149%0.485SS..THydrogen-bonded Turntrans619.7171.100000115.4
66C51.1Low52.4Low17 Ų1786.6 Ų86.612%0.11547%0.468CS..  trans-107.782.6-175.9-139.70000109.4C51 H64 V68C51-C66 WeakPolarHBondContact CA-SG 3.14Å; C51-C66 HydrophobicContact CB-CB 4.03Å; C51-C66 WeakPolarHBondContact CB-SG 3.46Å; C51-C66 PolarHBondContact N-SG 3.19Å; C51-C66 VanDerWaalsContact SG-CA 3.58Å; C51-C66 WeakPolarHBondContact SG-CB 3.47Å; C51-C66 CovalentContact SG-SG 2.04Å; C51-C66 PolarHBondContact SG-SG 3.3Å; H64-C66 PolarHBondContact O-N 2.86Å; C66-V68 PolarHBondContact O-N 3.03Å
67N50.8Low54.5Low82 Ų8284.6 Ų84.644%0.43945%0.452SS..  trans-84.8101.9172.3-168.4-6.1000108.3K69 T70N67-K69 PolarHBondContact O-N 3.17Å; N67-K69 VanDerWaalsContact OD1-CB 3.23Å; N67-K69 WeakPolarHBondContact OD1-CB 3.41Å; N67-K69 PolarHBondContact OD1-N 2.8Å; N67-T70 HydrophobicContact CB-CG2 3.77Å; N67-T70 PolarHBondContact O-N 3.49Å; N67-T70 PolarHBondContact O-OG1 2.87Å
68V49.8Very low56.6Low104 Ų10476.6 Ų76.663%0.6342%0.418SS*.THydrogen-bonded Turntrans-55.3-23.2174.4-177.50000111.4C51 C66C51-V68 HydrophobicContact CB-CG2 3.51Å; C66-V68 PolarHBondContact O-N 3.03Å
69K46.9Very low58.6Low180 Ų18068.6 Ų68.678%0.78339%0.39SS*.THydrogen-bonded Turntrans-81.1-15.7176.8-55.2-176.4174.9-1770113.9N67 N71N67-K69 PolarHBondContact O-N 3.17Å; N67-K69 VanDerWaalsContact OD1-CB 3.23Å; N67-K69 WeakPolarHBondContact OD1-CB 3.41Å; N67-K69 PolarHBondContact OD1-N 2.8Å; K69-N71 PolarHBondContact O-N 3.36Å; K69-N71 VanDerWaalsContact O-N 3.11Å
70T52.5Low60.9Low46 Ų4664.3 Ų64.328%0.28237%0.367SS..  trans-77.5102.2172.251.70000107.5N67 K72N67-T70 HydrophobicContact CB-CG2 3.77Å; N67-T70 PolarHBondContact O-N 3.49Å; N67-T70 PolarHBondContact O-OG1 2.87Å; T70-K72 PolarHBondContact O-N 2.8Å
71N54.6Low63.1Low129 Ų12959.6 Ų59.669%0.6934%0.341SS*.  trans-65.122.5171.3-69-28.6000112.9K69 R73K69-N71 PolarHBondContact O-N 3.36Å; K69-N71 VanDerWaalsContact O-N 3.11Å; N71-R73 PolarHBondContact O-N 3.41Å
72K63.1Low65.2Low63 Ų6358.4 Ų58.427%0.27433%0.33SS..  trans-71.7128.5-178.2-70.1-175.4177.4-172.50108.6F21 E22 T70F21-K72 HydrophobicContact CE1-CB 4.17Å; F21-K72 HydrophobicContact CZ-CB 3.83Å; F21-K72 VanDerWaalsContact CZ-O 3.32Å; F21-K72 WeakPolarHBondContact CZ-O 3.35Å; E22-K72 WeakPolarHBondContact OE1-CD 3.44Å; E22-K72 IonicContact OE1-NZ 3.17Å; E22-K72 PolarHBondContact OE1-NZ 2.84Å; T70-K72 PolarHBondContact O-N 2.8Å
73R68.1Low67.2Low81 Ų8162 Ų6231%0.30633%0.328SS..  trans-123.5160.7173-66.5173.1174113.3-6.7108.3D29 I47 N71 F95D29-R73 IonicContact OD2-CZ 3.39Å; D29-R73 IonicContact OD2-NE 2.7Å; D29-R73 PolarHBondContact OD2-NE 3.31Å; D29-R73 IonicContact OD2-NH2 3.23Å; D29-R73 PolarHBondContact OD2-NH2 3.13Å; I47-R73 WeakPolarHBondContact O-CA 3.49Å; N71-R73 PolarHBondContact O-N 3.41Å; R73-F95 VanDerWaalsContact C-CB 3.4Å; R73-F95 HydrophobicContact CB-CB 3.8Å; R73-F95 HydrophobicContact CB-CD1 4.48Å; R73-F95 HydrophobicContact CB-CG 4.18Å; R73-F95 WeakPolarHBondContact O-CA 3.47Å; R73-F95 WeakPolarHBondContact O-CB 3.32Å; R73-F95 PolarHBondContact O-N 2.84Å
74Q72.1Confident69.4Low40 Ų4065 Ų6519%0.18733%0.327CS..EExtended strand (participates in β ladder)trans-122.4134.6167.1-72.9-179.8-7.700107.5F21 S46 I47 T93F21-Q74 HydrophobicContact CD2-CB 4.4Å; F21-Q74 HydrophobicContact CD2-CG 4.1Å; F21-Q74 HydrophobicContact CE2-CB 3.96Å; F21-Q74 HydrophobicContact CE2-CG 3.54Å; F21-Q74 HydrophobicContact CZ-CG 4.18Å; S46-Q74 CarbonylContact C-O 3.49Å; S46-Q74 VanDerWaalsContact CA-O 3.25Å; S46-Q74 WeakPolarHBondContact CA-O 3.46Å; I47-Q74 HydrophobicContact CD1-CB 4.08Å; I47-Q74 HydrophobicContact CG1-CB 3.68Å; I47-Q74 PolarHBondContact N-O 2.96Å; I47-Q74 PolarHBondContact O-N 3.17Å; Q74-T93 CarbonylContact C-O 3.57Å; Q74-T93 VanDerWaalsContact CA-O 3.23Å; Q74-T93 WeakPolarHBondContact CA-O 3.17Å; Q74-T93 WeakPolarHBondContact CB-O 3.26Å
75L77.8Confident71.7Confident11 Ų1165.4 Ų65.46%0.05833%0.329CS..EExtended strand (participates in β ladder)trans-81.9129170.1-16347.4000107.9Y32 E44 C92 T93 F95 Y136Y32-L75 HydrophobicContact CD2-CD1 3.66Å; Y32-L75 HydrophobicContact CE2-CD1 3.57Å; E44-L75 HydrophobicContact CG-CD1 3.85Å; E44-L75 HydrophobicContact CG-CG 4.29Å; L75-C92 CarbonylContact O-C 3.54Å; L75-C92 VanDerWaalsContact O-CA 3.25Å; L75-C92 WeakPolarHBondContact O-CA 3.37Å; L75-T93 PolarHBondContact N-O 3.31Å; L75-T93 PolarHBondContact O-N 3.1Å; L75-T93 PolarHBondContact O-OG1 3.04Å; L75-F95 HydrophobicContact CB-CD2 3.67Å; L75-F95 HydrophobicContact CB-CE2 4.33Å; L75-F95 HydrophobicContact CD1-CD2 4.09Å; L75-F95 HydrophobicContact CD1-CE2 4Å; L75-F95 HydrophobicContact CD2-CD2 4.26Å; L75-F95 HydrophobicContact CD2-CE2 4.16Å; L75-F95 HydrophobicContact CG-CD2 4.22Å; L75-F95 HydrophobicContact CG-CE2 4.4Å; L75-Y136 HydrophobicContact CD2-CE1 4.45Å; L75-Y136 VanDerWaalsContact CD2-OH 3.32Å; L75-Y136 WeakPolarHBondContact CD2-OH 3.44Å
76C82.5Confident73.9Confident0 Ų065.7 Ų65.70%032%0.323CS..EExtended strand (participates in β ladder)trans-117.5134.2175.1-61.80000109.6E44 F45 L90 K91 C92E44-C76 WeakPolarHBondContact CA-O 3.36Å; F45-C76 HydrophobicContact CD1-CB 4.34Å; F45-C76 HydrophobicContact CD2-CB 3.93Å; F45-C76 HydrophobicContact CE1-CB 3.94Å; F45-C76 HydrophobicContact CE2-CB 3.48Å; F45-C76 VanDerWaalsContact CE2-CB 3.48Å; F45-C76 HydrophobicContact CG-CB 4.34Å; F45-C76 HydrophobicContact CZ-CB 3.5Å; F45-C76 PolarHBondContact N-O 3.23Å; F45-C76 WeakPolarHBondContact O-CA 3.2Å; F45-C76 PolarHBondContact O-N 3.36Å; C76-L90 HydrophobicContact CB-CD1 3.92Å; C76-K91 CarbonylContact C-O 3.56Å; C76-K91 VanDerWaalsContact CA-O 3.27Å; C76-K91 WeakPolarHBondContact CA-O 3.36Å; C76-C92 HydrophobicContact CB-CB 4.21Å; C76-C92 WeakPolarHBondContact CB-SG 3.31Å; C76-C92 WeakPolarHBondContact SG-CB 3.15Å; C76-C92 CovalentContact SG-SG 2.05Å; C76-C92 PolarHBondContact SG-SG 2.92Å
77T85.5Confident75.7Confident41 Ų4165.2 Ų65.225%0.25232%0.32SS..EExtended strand (participates in β ladder)trans-114.3136167.1550000108.2V43 E44 K91V43-T77 CarbonylContact O-C 3.12Å; V43-T77 WeakPolarHBondContact O-CA 3.45Å; E44-T77 HydrophobicContact CB-CG2 4.48Å; E44-T77 HydrophobicContact CG-CG2 4.03Å; T77-K91 PolarHBondContact N-O 2.78Å; T77-K91 PolarHBondContact O-N 3.22Å
78G88Confident77.4Confident3 Ų364.6 Ų64.63%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-159.8162.6175.500000114.9N42 V43 H89N42-G78 CarbonylContact C-O 3.55Å; N42-G78 WeakPolarHBondContact CA-O 3.08Å; V43-G78 VanDerWaalsContact CG2-O 3.29Å; V43-G78 WeakPolarHBondContact CG2-O 3.49Å; V43-G78 PolarHBondContact N-O 3.41Å; V43-G78 PolarHBondContact O-N 2.97Å; G78-H89 CarbonylContact C-O 3.4Å; G78-H89 WeakPolarHBondContact CA-O 3.49Å
79D90.3Very high79.1Confident44 Ų4465.5 Ų65.524%0.23532%0.316CS..EExtended strand (participates in β ladder)trans-99113.5176.9-62.3-28.7000108.6T40 N42 L87 T88 H89T40-D79 HydrophobicContact CG2-CB 3.95Å; N42-D79 PolarHBondContact ND2-OD1 3.29Å; D79-L87 CarbonylContact O-C 3.57Å; D79-L87 VanDerWaalsContact O-CA 3.31Å; D79-L87 WeakPolarHBondContact O-CA 3.2Å; D79-T88 WeakPolarHBondContact CB-OG1 3.31Å; D79-T88 PolarHBondContact O-N 3.5Å; D79-T88 PolarHBondContact O-OG1 3.32Å; D79-H89 HydrophobicContact CB-CB 4.42Å; D79-H89 PolarHBondContact N-O 2.99Å; D79-H89 IonicContact OD2-CE1 3.95Å; D79-H89 IonicContact OD2-CG 3.64Å; D79-H89 IonicContact OD2-ND1 2.89Å; D79-H89 PolarHBondContact OD2-ND1 3.04Å
80F90.6Very high81.2Confident1 Ų159.5 Ų59.50%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-100.9115.1-179-179.1-100.5000110.5L9 L10 A13 T40 I41 V43 I82 Q85 T86 L87L9-F80 HydrophobicContact CB-CZ 3.86Å; L9-F80 HydrophobicContact CD1-CZ 4.44Å; L10-F80 HydrophobicContact CD2-CB 4.04Å; L10-F80 HydrophobicContact CD2-CD2 3.57Å; L10-F80 HydrophobicContact CD2-CE2 4.13Å; L10-F80 HydrophobicContact CD2-CG 3.82Å; A13-F80 HydrophobicContact CB-CD2 4.45Å; A13-F80 HydrophobicContact CB-CE2 4.13Å; T40-F80 WeakPolarHBondContact CA-O 3.25Å; I41-F80 HydrophobicContact CD1-CB 4.47Å; I41-F80 HydrophobicContact CD1-CD1 3.82Å; I41-F80 HydrophobicContact CG1-CB 3.84Å; I41-F80 HydrophobicContact CG1-CD1 3.84Å; I41-F80 HydrophobicContact CG1-CG 4.33Å; I41-F80 PolarHBondContact N-O 2.92Å; I41-F80 PolarHBondContact O-N 3.28Å; V43-F80 HydrophobicContact CG1-CB 4.38Å; V43-F80 HydrophobicContact CG2-CB 4.32Å; F80-I82 HydrophobicContact CD1-CG1 4.15Å; F80-I82 HydrophobicContact CE1-CG1 4.25Å; F80-I82 PolarHBondContact O-N 2.86Å; F80-Q85 HydrophobicContact CZ-CB 4.25Å; F80-T86 WeakPolarHBondContact CA-O 3.26Å; F80-L87 HydrophobicContact CB-CD2 3.93Å; F80-L87 HydrophobicContact CD2-CD2 4.21Å; F80-L87 HydrophobicContact CD2-CG 4.24Å
81E89.9Confident82.9Confident29 Ų2962 Ų6214%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-85.3110.1176.3-172.1178.1168.300109.6I39 K83 K84 Q85 T86 T88I39-E81 WeakPolarHBondContact O-CA 3.33Å; E81-K83 PolarHBondContact O-N 2.99Å; E81-K84 HydrophobicContact CB-CB 4.43Å; E81-K84 HydrophobicContact CG-CB 4.25Å; E81-K84 HydrophobicContact CG-CG 4.3Å; E81-K84 PolarHBondContact O-N 3.48Å; E81-K84 WeakPolarHBondContact OE1-CD 3.5Å; E81-K84 WeakPolarHBondContact OE1-CE 3.44Å; E81-K84 WeakPolarHBondContact OE1-CG 3.14Å; E81-K84 IonicContact OE1-NZ 2.83Å; E81-K84 PolarHBondContact OE1-NZ 2.88Å; E81-K84 VanDerWaalsContact OE2-CD 3.27Å; E81-K84 WeakPolarHBondContact OE2-CD 3.42Å; E81-K84 WeakPolarHBondContact OE2-CE 3.36Å; E81-K84 IonicContact OE2-NZ 2.75Å; E81-K84 PolarHBondContact OE2-NZ 2.84Å; E81-Q85 WeakPolarHBondContact O-CA 3.46Å; E81-Q85 PolarHBondContact O-N 3.18Å; E81-T86 HydrophobicContact CB-CG2 4.42Å; E81-T86 PolarHBondContact N-O 2.81Å; E81-T86 PolarHBondContact O-N 3.13Å; E81-T88 HydrophobicContact CB-CG2 4.46Å
82I85.2Confident84.2Confident56 Ų5657.9 Ų57.929%0.28728%0.28SS..THydrogen-bonded Turntrans-61.5-43.2-170.4-67.1168.3000111.4G38 I39 I41 F80 K84 Q85G38-I82 WeakPolarHBondContact O-CD1 3.39Å; I39-I82 PolarHBondContact O-N 2.84Å; I41-I82 HydrophobicContact CD1-CD1 4.48Å; I41-I82 HydrophobicContact CD1-CG1 4.39Å; I41-I82 HydrophobicContact CG1-CD1 4.5Å; I41-I82 HydrophobicContact CG1-CG1 4.34Å; I41-I82 HydrophobicContact CG2-CD1 3.82Å; F80-I82 HydrophobicContact CD1-CG1 4.15Å; F80-I82 HydrophobicContact CE1-CG1 4.25Å; F80-I82 PolarHBondContact O-N 2.86Å; I82-K84 PolarHBondContact O-N 3.4Å; I82-Q85 WeakPolarHBondContact O-CG 3.5Å; I82-Q85 PolarHBondContact O-N 3.01Å
83K84.4Confident84.5Confident169 Ų16957 Ų5774%0.73528%0.28SS*.THydrogen-bonded Turntrans-65.4-38.5-178.1-70.1-174178.5179.50113E81E81-K83 PolarHBondContact O-N 2.99Å
84K88.3Confident84.1Confident139 Ų13958.7 Ų58.760%0.60429%0.291SS*.THydrogen-bonded Turntrans-90.2-12.1-179.5-66.4-170.1-163128.70113.1E81 I82 T86E81-K84 HydrophobicContact CB-CB 4.43Å; E81-K84 HydrophobicContact CG-CB 4.25Å; E81-K84 HydrophobicContact CG-CG 4.3Å; E81-K84 PolarHBondContact O-N 3.48Å; E81-K84 WeakPolarHBondContact OE1-CD 3.5Å; E81-K84 WeakPolarHBondContact OE1-CE 3.44Å; E81-K84 WeakPolarHBondContact OE1-CG 3.14Å; E81-K84 IonicContact OE1-NZ 2.83Å; E81-K84 PolarHBondContact OE1-NZ 2.88Å; E81-K84 VanDerWaalsContact OE2-CD 3.27Å; E81-K84 WeakPolarHBondContact OE2-CD 3.42Å; E81-K84 WeakPolarHBondContact OE2-CE 3.36Å; E81-K84 IonicContact OE2-NZ 2.75Å; E81-K84 PolarHBondContact OE2-NZ 2.84Å; I82-K84 PolarHBondContact O-N 3.4Å; K84-T86 HydrophobicContact CB-CG2 3.71Å; K84-T86 HydrophobicContact CD-CG2 4.46Å; K84-T86 PolarHBondContact O-N 3.27Å
85Q89.2Confident83.5Confident101 Ų10159.6 Ų59.647%0.47230%0.295SS..THydrogen-bonded Turntrans51.942.6-174-57-176.53.200112.4L9 F80 E81 I82L9-Q85 HydrophobicContact CD2-CG 4.18Å; F80-Q85 HydrophobicContact CZ-CB 4.25Å; E81-Q85 WeakPolarHBondContact O-CA 3.46Å; E81-Q85 PolarHBondContact O-N 3.18Å; I82-Q85 WeakPolarHBondContact O-CG 3.5Å; I82-Q85 PolarHBondContact O-N 3.01Å
86T90.9Very high82.1Confident44 Ų4462.1 Ų62.127%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-132.4155.5-175.5-164.90000111.3F80 E81 K84 T88F80-T86 WeakPolarHBondContact CA-O 3.26Å; E81-T86 HydrophobicContact CB-CG2 4.42Å; E81-T86 PolarHBondContact N-O 2.81Å; E81-T86 PolarHBondContact O-N 3.13Å; K84-T86 HydrophobicContact CB-CG2 3.71Å; K84-T86 HydrophobicContact CD-CG2 4.46Å; K84-T86 PolarHBondContact O-N 3.27Å; T86-T88 HydrophobicContact CG2-CG2 4.35Å
87L89.6Confident80.1Confident7 Ų768.4 Ų68.44%0.03733%0.334CS..EExtended strand (participates in β ladder)trans-95.2118.4170.9-73160.9000108.2L10 A13 L14 L17 V43 F45 D79 F80 L90L10-L87 HydrophobicContact CD2-CD2 4.13Å; A13-L87 HydrophobicContact CB-CD1 3.94Å; A13-L87 HydrophobicContact CB-CG 3.98Å; L14-L87 HydrophobicContact CD2-CD1 4.05Å; L14-L87 HydrophobicContact CG-CD1 4.45Å; L17-L87 HydrophobicContact CD1-CB 3.71Å; L17-L87 HydrophobicContact CD1-CD1 4.33Å; V43-L87 HydrophobicContact CG2-CD2 4.09Å; F45-L87 HydrophobicContact CZ-CD1 4.4Å; D79-L87 CarbonylContact O-C 3.57Å; D79-L87 VanDerWaalsContact O-CA 3.31Å; D79-L87 WeakPolarHBondContact O-CA 3.2Å; F80-L87 HydrophobicContact CB-CD2 3.93Å; F80-L87 HydrophobicContact CD2-CD2 4.21Å; F80-L87 HydrophobicContact CD2-CG 4.24Å; L87-L90 HydrophobicContact CD1-CD1 4.27Å; L87-L90 HydrophobicContact CD1-CD2 4.39Å
88T86Confident78Confident69 Ų6970 Ų7042%0.42335%0.346SS..EExtended strand (participates in β ladder)trans-86.2-34.8179.852.70000111.8D79 E81 T86D79-T88 WeakPolarHBondContact CB-OG1 3.31Å; D79-T88 PolarHBondContact O-N 3.5Å; D79-T88 PolarHBondContact O-OG1 3.32Å; E81-T88 HydrophobicContact CB-CG2 4.46Å; T86-T88 HydrophobicContact CG2-CG2 4.35Å
89H86.5Confident75.6Confident122 Ų12273 Ų7357%0.56536%0.361SS*.EExtended strand (participates in β ladder)trans-125.7132.1170.1-58.2106.6000108.6G78 D79G78-H89 CarbonylContact C-O 3.4Å; G78-H89 WeakPolarHBondContact CA-O 3.49Å; D79-H89 HydrophobicContact CB-CB 4.42Å; D79-H89 PolarHBondContact N-O 2.99Å; D79-H89 IonicContact OD2-CE1 3.95Å; D79-H89 IonicContact OD2-CG 3.64Å; D79-H89 IonicContact OD2-ND1 2.89Å; D79-H89 PolarHBondContact OD2-ND1 3.04Å
90L90.2Very high73.3Confident54 Ų5477 Ų7728%0.28338%0.382SS..EExtended strand (participates in β ladder)trans-139.1123.4174.3179.665.3000109L14 L17 V19 F45 C76 L87L14-L90 HydrophobicContact CD2-CD2 3.75Å; L17-L90 HydrophobicContact CD1-CD2 4.28Å; V19-L90 HydrophobicContact CG1-CD2 4.38Å; V19-L90 HydrophobicContact CG2-CD2 3.45Å; V19-L90 VanDerWaalsContact CG2-CD2 3.45Å; F45-L90 HydrophobicContact CE1-CD1 4.2Å; F45-L90 HydrophobicContact CZ-CD1 3.69Å; C76-L90 HydrophobicContact CB-CD1 3.92Å; L87-L90 HydrophobicContact CD1-CD1 4.27Å; L87-L90 HydrophobicContact CD1-CD2 4.39Å
91K87.7Confident71Confident100 Ų10080.4 Ų80.444%0.43540%0.402SS..EExtended strand (participates in β ladder)trans-127.1117.5173.5-175.4-176.9178.3-170.30108.5C76 T77C76-K91 CarbonylContact C-O 3.56Å; C76-K91 VanDerWaalsContact CA-O 3.27Å; C76-K91 WeakPolarHBondContact CA-O 3.36Å; T77-K91 PolarHBondContact N-O 2.78Å; T77-K91 PolarHBondContact O-N 3.22Å
92C82.3Confident68.9Low42 Ų4279.1 Ų79.128%0.28440%0.397SS..EExtended strand (participates in β ladder)trans-109.2132.5174.4-61.40000110L75 C76L75-C92 CarbonylContact O-C 3.54Å; L75-C92 VanDerWaalsContact O-CA 3.25Å; L75-C92 WeakPolarHBondContact O-CA 3.37Å; C76-C92 HydrophobicContact CB-CB 4.21Å; C76-C92 WeakPolarHBondContact CB-SG 3.31Å; C76-C92 WeakPolarHBondContact SG-CB 3.15Å; C76-C92 CovalentContact SG-SG 2.05Å; C76-C92 PolarHBondContact SG-SG 2.92Å
93T69.7Low66.9Low45 Ų4580.4 Ų80.428%0.27640%0.402SS..EExtended strand (participates in β ladder)trans-123.1145.5176.5510000109.2Q74 L75 F95Q74-T93 CarbonylContact C-O 3.57Å; Q74-T93 VanDerWaalsContact CA-O 3.23Å; Q74-T93 WeakPolarHBondContact CA-O 3.17Å; Q74-T93 WeakPolarHBondContact CB-O 3.26Å; L75-T93 PolarHBondContact N-O 3.31Å; L75-T93 PolarHBondContact O-N 3.1Å; L75-T93 PolarHBondContact O-OG1 3.04Å; T93-F95 PolarHBondContact O-N 2.97Å
94Q60.7Low65.1Low116 Ų11677.3 Ų77.354%0.54239%0.39SS..EExtended strand (participates in β ladder)trans-54.6118.2173.9-166.2169.7-12.200109.7
95F58.3Low63.1Low59 Ų5973.3 Ų73.326%0.25938%0.375SS..  trans-69.3144.3176.7-161.7-87000106.9Y32 R73 L75 T93 E97Y32-F95 HydrophobicContact CE2-CE2 4.38Å; R73-F95 VanDerWaalsContact C-CB 3.4Å; R73-F95 HydrophobicContact CB-CB 3.8Å; R73-F95 HydrophobicContact CB-CD1 4.48Å; R73-F95 HydrophobicContact CB-CG 4.18Å; R73-F95 WeakPolarHBondContact O-CA 3.47Å; R73-F95 WeakPolarHBondContact O-CB 3.32Å; R73-F95 PolarHBondContact O-N 2.84Å; L75-F95 HydrophobicContact CB-CD2 3.67Å; L75-F95 HydrophobicContact CB-CE2 4.33Å; L75-F95 HydrophobicContact CD1-CD2 4.09Å; L75-F95 HydrophobicContact CD1-CE2 4Å; L75-F95 HydrophobicContact CD2-CD2 4.26Å; L75-F95 HydrophobicContact CD2-CE2 4.16Å; L75-F95 HydrophobicContact CG-CD2 4.22Å; L75-F95 HydrophobicContact CG-CE2 4.4Å; T93-F95 PolarHBondContact O-N 2.97Å; F95-E97 PolarHBondContact O-N 3.03Å
96F48.7Very low61.1Low64 Ų6470.7 Ų70.728%0.28136%0.364SS..  trans-38.6127.5177.2-103.4-96.7000111.6P98 F130 K131 W132F96-P98 WeakPolarHBondContact O-CD 2.84Å; F96-F130 HydrophobicContact CD1-CE2 4.09Å; F96-F130 AromaticContact CD1-CZ 3.9Å; F96-F130 HydrophobicContact CD1-CZ 3.9Å; F96-F130 HydrophobicContact CE1-CD2 4.35Å; F96-F130 AromaticContact CE1-CE1 3.69Å; F96-F130 HydrophobicContact CE1-CE1 3.69Å; F96-F130 AromaticContact CE1-CE2 3.53Å; F96-F130 HydrophobicContact CE1-CE2 3.53Å; F96-F130 AromaticContact CE1-CZ 3.14Å; F96-F130 HydrophobicContact CE1-CZ 3.14Å; F96-F130 HydrophobicContact CE2-CZ 4.42Å; F96-F130 AromaticContact CZ-CE1 3.61Å; F96-F130 HydrophobicContact CZ-CE1 3.61Å; F96-F130 HydrophobicContact CZ-CE2 4.29Å; F96-F130 AromaticContact CZ-CZ 3.46Å; F96-F130 HydrophobicContact CZ-CZ 3.46Å; F96-F130 VanDerWaalsContact CZ-CZ 3.46Å; F96-K131 WeakPolarHBondContact CZ-O 3.33Å; F96-W132 HydrophobicContact CZ-CE3 4.47Å
97E40Very low59Low131 Ų13171.6 Ų71.661%0.61237%0.367SS*.  trans-72.1108.5152-81.3179.6171.500105.2F95 D99F95-E97 PolarHBondContact O-N 3.03Å; E97-D99 PolarHBondContact O-N 3.34Å; E97-D99 VanDerWaalsContact O-N 3.14Å
98P42.3Very low57.3Low76 Ų7678.3 Ų78.349%0.49440%0.396SS..  trans-57.5124.6162.325.2-30.5000105.7F96 L100F96-P98 WeakPolarHBondContact O-CD 2.84Å; P98-L100 PolarHBondContact O-N 2.92Å; P98-L100 VanDerWaalsContact O-N 3.08Å
99D38Very low55.5Low64 Ų6478.9 Ų78.934%0.34239%0.393SS..  trans-48.6123.8172.8-174.6-9.8000106.8E97 T101 A102 Q103 Y124E97-D99 PolarHBondContact O-N 3.34Å; E97-D99 VanDerWaalsContact O-N 3.14Å; D99-T101 VanDerWaalsContact CG-OG1 3.32Å; D99-T101 PolarHBondContact O-N 2.88Å; D99-T101 WeakPolarHBondContact OD1-CB 3.19Å; D99-T101 PolarHBondContact OD1-N 3.41Å; D99-T101 PolarHBondContact OD1-OG1 2.7Å; D99-T101 PolarHBondContact OD2-OG1 2.67Å; D99-A102 HydrophobicContact CB-CB 4.15Å; D99-A102 WeakPolarHBondContact O-CA 3.21Å; D99-A102 VanDerWaalsContact O-CB 3.26Å; D99-A102 WeakPolarHBondContact O-CB 3.16Å; D99-A102 PolarHBondContact O-N 3.29Å; D99-Q103 PolarHBondContact O-N 3.49Å; D99-Q103 VanDerWaalsContact O-N 3.11Å; D99-Y124 WeakPolarHBondContact CB-OH 3.36Å
100L40Very low53.6Low130 Ų13079.8 Ų79.868%0.68140%0.395SS*.Hα-helixtrans-53.1-30.6177.7-75.4165.1000109.9P98 A102 Q103 E104P98-L100 PolarHBondContact O-N 2.92Å; P98-L100 VanDerWaalsContact O-N 3.08Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.69Å; L100-Q103 PolarHBondContact O-N 3.14Å; L100-E104 VanDerWaalsContact O-CB 3.3Å; L100-E104 WeakPolarHBondContact O-CB 3.38Å; L100-E104 VanDerWaalsContact O-CG 3.29Å; L100-E104 WeakPolarHBondContact O-CG 2.92Å; L100-E104 PolarHBondContact O-N 3.24Å
101T42.5Very low51.4Low71 Ų7181.2 Ų81.244%0.43642%0.422SS..Hα-helixtrans-61.8-38.6173-36.20000112.4D99 N105D99-T101 VanDerWaalsContact CG-OG1 3.32Å; D99-T101 PolarHBondContact O-N 2.88Å; D99-T101 WeakPolarHBondContact OD1-CB 3.19Å; D99-T101 PolarHBondContact OD1-N 3.41Å; D99-T101 PolarHBondContact OD1-OG1 2.7Å; D99-T101 PolarHBondContact OD2-OG1 2.67Å; T101-N105 WeakPolarHBondContact O-CB 3.21Å; T101-N105 PolarHBondContact O-N 2.9Å; T101-N105 PolarHBondContact O-ND2 2.85Å
102A45.7Very low49.5Very low3 Ų379.7 Ų79.73%0.02542%0.419CS..Hα-helixtrans-70.6-44.6176.600000111.8D99 L100 N105 I106 Y124D99-A102 HydrophobicContact CB-CB 4.15Å; D99-A102 WeakPolarHBondContact O-CA 3.21Å; D99-A102 VanDerWaalsContact O-CB 3.26Å; D99-A102 WeakPolarHBondContact O-CB 3.16Å; D99-A102 PolarHBondContact O-N 3.29Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.69Å; A102-N105 PolarHBondContact O-N 2.84Å; A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.17Å; A102-I106 PolarHBondContact O-N 2.74Å; A102-Y124 HydrophobicContact CB-CD1 4.26Å; A102-Y124 HydrophobicContact CB-CD2 4.07Å; A102-Y124 HydrophobicContact CB-CE1 3.65Å; A102-Y124 HydrophobicContact CB-CE2 3.45Å; A102-Y124 VanDerWaalsContact CB-CE2 3.45Å; A102-Y124 HydrophobicContact CB-CG 4.46Å; A102-Y124 WeakPolarHBondContact CB-OH 3.29Å
103Q44.1Very low48Very low83 Ų8380.2 Ų80.239%0.38842%0.423SS..Hα-helixtrans-61.8-45.8175.8-168.568.44300110.9D99 L100 N105 I106 D107D99-Q103 PolarHBondContact O-N 3.49Å; D99-Q103 VanDerWaalsContact O-N 3.11Å; L100-Q103 PolarHBondContact O-N 3.14Å; Q103-N105 VanDerWaalsContact C-N 3.31Å; Q103-N105 PolarHBondContact O-N 3.42Å; Q103-I106 PolarHBondContact O-N 3.41Å; Q103-D107 WeakPolarHBondContact O-CB 3.21Å; Q103-D107 VanDerWaalsContact O-CG 3.3Å; Q103-D107 PolarHBondContact O-N 2.75Å
104E45.9Very low47.1Very low103 Ų10383.7 Ų83.748%0.48144%0.439SS..Hα-helixtrans-62.4-37.2174.1-77.8-175.7-168.500112.4L100 D107 K108L100-E104 VanDerWaalsContact O-CB 3.3Å; L100-E104 WeakPolarHBondContact O-CB 3.38Å; L100-E104 VanDerWaalsContact O-CG 3.29Å; L100-E104 WeakPolarHBondContact O-CG 2.92Å; L100-E104 PolarHBondContact O-N 3.24Å; E104-D107 PolarHBondContact O-N 2.97Å; E104-K108 VanDerWaalsContact O-CB 3.25Å; E104-K108 WeakPolarHBondContact O-CB 2.9Å; E104-K108 WeakPolarHBondContact O-CD 3.15Å; E104-K108 WeakPolarHBondContact O-CG 3.44Å; E104-K108 PolarHBondContact O-N 3Å; E104-K108 IonicContact OE2-NZ 3.42Å; E104-K108 PolarHBondContact OE2-NZ 2.86Å
105N46.8Very low46.6Very low56 Ų5684.5 Ų84.530%0.29944%0.442SS..Hα-helixtrans-72-36.9177.7-76.1-26.1000112T101 A102 Q103 K109 F120T101-N105 WeakPolarHBondContact O-CB 3.21Å; T101-N105 PolarHBondContact O-N 2.9Å; T101-N105 PolarHBondContact O-ND2 2.85Å; A102-N105 PolarHBondContact O-N 2.84Å; Q103-N105 VanDerWaalsContact C-N 3.31Å; Q103-N105 PolarHBondContact O-N 3.42Å; N105-K109 WeakPolarHBondContact O-CB 3.16Å; N105-K109 WeakPolarHBondContact O-CG 2.85Å; N105-K109 PolarHBondContact O-N 2.65Å; N105-F120 HydrophobicContact CB-CE1 4.14Å; N105-F120 HydrophobicContact CB-CE2 4.36Å; N105-F120 HydrophobicContact CB-CZ 3.52Å
106I47.9Very low46.3Very low45 Ų4585.8 Ų85.823%0.23145%0.452CS..Hα-helixtrans-64.5-44.2171.2-67.8167.7000109.5A102 Q103 K109 K110 F120 L121A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.17Å; A102-I106 PolarHBondContact O-N 2.74Å; Q103-I106 PolarHBondContact O-N 3.41Å; I106-K109 CarbonylContact O-C 3.58Å; I106-K109 VanDerWaalsContact O-C 3.28Å; I106-K109 WeakPolarHBondContact O-CA 3.45Å; I106-K109 PolarHBondContact O-N 3.14Å; I106-K109 VanDerWaalsContact O-N 3.08Å; I106-K110 PolarHBondContact O-N 2.97Å; I106-F120 HydrophobicContact CG1-CD1 4.14Å; I106-F120 HydrophobicContact CG1-CE1 3.78Å; I106-L121 HydrophobicContact CD1-CD2 4.06Å
107D46.9Very low46.5Very low64 Ų6484 Ų8434%0.34245%0.446SS..Hα-helixtrans-65.7-40.8178.6-77.5-25.3000112.4Q103 E104 K109 K110Q103-D107 WeakPolarHBondContact O-CB 3.21Å; Q103-D107 VanDerWaalsContact O-CG 3.3Å; Q103-D107 PolarHBondContact O-N 2.75Å; E104-D107 PolarHBondContact O-N 2.97Å; D107-K109 PolarHBondContact O-N 3.37Å; D107-K110 HydrophobicContact CB-CD 4.43Å; D107-K110 VanDerWaalsContact O-CB 3.29Å; D107-K110 WeakPolarHBondContact O-CB 3.09Å; D107-K110 WeakPolarHBondContact O-CG 3.1Å; D107-K110 PolarHBondContact O-N 3.27Å; D107-K110 WeakPolarHBondContact OD1-CE 3.48Å; D107-K110 IonicContact OD1-NZ 2.66Å; D107-K110 PolarHBondContact OD1-NZ 3.41Å
108K52.6Low47Very low147 Ų14779.3 Ų79.364%0.63943%0.425SS*.Hα-helixtrans-65.9-23.2172-75.7166.4-174.1159.80112.4E104E104-K108 VanDerWaalsContact O-CB 3.25Å; E104-K108 WeakPolarHBondContact O-CB 2.9Å; E104-K108 WeakPolarHBondContact O-CD 3.15Å; E104-K108 WeakPolarHBondContact O-CG 3.44Å; E104-K108 PolarHBondContact O-N 3Å; E104-K108 IonicContact OE2-NZ 3.42Å; E104-K108 PolarHBondContact OE2-NZ 2.86Å
109K49.4Very low47.9Very low81 Ų8181.7 Ų81.735%0.35243%0.427SS..THydrogen-bonded Turntrans-98.58.5178-73.1-176.6172.6-168.70113.3N105 I106 D107 G111 L112 F120N105-K109 WeakPolarHBondContact O-CB 3.16Å; N105-K109 WeakPolarHBondContact O-CG 2.85Å; N105-K109 PolarHBondContact O-N 2.65Å; I106-K109 CarbonylContact O-C 3.58Å; I106-K109 VanDerWaalsContact O-C 3.28Å; I106-K109 WeakPolarHBondContact O-CA 3.45Å; I106-K109 PolarHBondContact O-N 3.14Å; I106-K109 VanDerWaalsContact O-N 3.08Å; D107-K109 PolarHBondContact O-N 3.37Å; K109-G111 PolarHBondContact O-N 3.08Å; K109-G111 VanDerWaalsContact O-N 3.1Å; K109-L112 HydrophobicContact CB-CD1 3.58Å; K109-L112 HydrophobicContact CB-CG 4.1Å; K109-L112 HydrophobicContact CD-CD1 3.65Å; K109-L112 HydrophobicContact CG-CD1 3.66Å; K109-L112 HydrophobicContact CG-CG 4.49Å; K109-L112 WeakPolarHBondContact O-CG 3.24Å; K109-L112 PolarHBondContact O-N 2.69Å; K109-L112 VanDerWaalsContact O-N 3.08Å; K109-F120 HydrophobicContact CD-CD1 4.43Å; K109-F120 HydrophobicContact CD-CD2 4.06Å; K109-F120 HydrophobicContact CD-CE2 4.32Å; K109-F120 HydrophobicContact CD-CG 4.08Å
110K46.1Very low48.8Very low142 Ų14279.8 Ų79.862%0.61742%0.416SS*.THydrogen-bonded Turntrans-56.2115.7168.7-81.2171.2166.2161.70109.2I106 D107I106-K110 PolarHBondContact O-N 2.97Å; D107-K110 HydrophobicContact CB-CD 4.43Å; D107-K110 VanDerWaalsContact O-CB 3.29Å; D107-K110 WeakPolarHBondContact O-CB 3.09Å; D107-K110 WeakPolarHBondContact O-CG 3.1Å; D107-K110 PolarHBondContact O-N 3.27Å; D107-K110 WeakPolarHBondContact OD1-CE 3.48Å; D107-K110 IonicContact OD1-NZ 2.66Å; D107-K110 PolarHBondContact OD1-NZ 3.41Å
111G43.8Very low49.7Very low83 Ų8376 Ų7686%0.85640%0.396SS*.THydrogen-bonded Turntrans115.1-3.5-175.200000115K109K109-G111 PolarHBondContact O-N 3.08Å; K109-G111 VanDerWaalsContact O-N 3.1Å
112L46.9Very low50.4Low68 Ų6876.1 Ų76.136%0.35639%0.388SS..  trans-74.1152.6168.1-65.7-177.3000111.4K109 L116K109-L112 HydrophobicContact CB-CD1 3.58Å; K109-L112 HydrophobicContact CB-CG 4.1Å; K109-L112 HydrophobicContact CD-CD1 3.65Å; K109-L112 HydrophobicContact CG-CD1 3.66Å; K109-L112 HydrophobicContact CG-CG 4.49Å; K109-L112 WeakPolarHBondContact O-CG 3.24Å; K109-L112 PolarHBondContact O-N 2.69Å; K109-L112 VanDerWaalsContact O-N 3.08Å; L112-L116 HydrophobicContact CB-CB 3.79Å; L112-L116 HydrophobicContact CD1-CB 4.1Å; L112-L116 HydrophobicContact CD2-CD1 4.22Å; L112-L116 HydrophobicContact CG-CB 4.36Å
113S52.2Low51Low54 Ų5481.2 Ų81.238%0.37841%0.412SS..  trans-58.8159.1171.6690000111E115 L116 T117S113-E115 PolarHBondContact O-N 3.13Å; S113-L116 PolarHBondContact O-N 3.23Å; S113-L116 VanDerWaalsContact O-N 3.14Å; S113-L116 PolarHBondContact OG-N 3.33Å; S113-T117 PolarHBondContact O-N 2.93Å; S113-T117 PolarHBondContact O-OG1 3.22Å; S113-T117 VanDerWaalsContact O-OG1 3.05Å
114I49.7Very low51.7Low118 Ų11879.2 Ų79.261%0.60540%0.401SS*.Hα-helixtrans-51.8-46.1174.6-64.5171.4000109.5L116 T117 M118I114-L116 PolarHBondContact O-N 2.94Å; I114-T117 WeakPolarHBondContact O-CB 3.33Å; I114-T117 PolarHBondContact O-N 3.36Å; I114-T117 VanDerWaalsContact O-N 3.14Å; I114-M118 HydrophobicContact CG2-CG 4.1Å; I114-M118 VanDerWaalsContact O-CG 3.25Å; I114-M118 WeakPolarHBondContact O-CG 3.05Å; I114-M118 PolarHBondContact O-N 3.45Å
115E50.3Low52.2Low132 Ų13275.3 Ų75.362%0.61738%0.383SS*.Hα-helixtrans-55.9-46.4178.1-63.1177.6160.200113.4S113 T117 M118 K119S113-E115 PolarHBondContact O-N 3.13Å; E115-T117 VanDerWaalsContact C-N 3.34Å; E115-M118 PolarHBondContact O-N 3.33Å; E115-K119 WeakPolarHBondContact O-CB 3.37Å; E115-K119 PolarHBondContact O-N 2.84Å
116L51.6Low52.7Low87 Ų8777.5 Ų77.546%0.45540%0.395SS..Hα-helixtrans-68.3-34.9178.9-89.7151.1000112L112 S113 I114 F120L112-L116 HydrophobicContact CB-CB 3.79Å; L112-L116 HydrophobicContact CD1-CB 4.1Å; L112-L116 HydrophobicContact CD2-CD1 4.22Å; L112-L116 HydrophobicContact CG-CB 4.36Å; S113-L116 PolarHBondContact O-N 3.23Å; S113-L116 VanDerWaalsContact O-N 3.14Å; S113-L116 PolarHBondContact OG-N 3.33Å; I114-L116 PolarHBondContact O-N 2.94Å; L116-F120 WeakPolarHBondContact O-CB 3.45Å; L116-F120 PolarHBondContact O-N 3.45Å
117T53Low53.1Low26 Ų2676.2 Ų76.216%0.1639%0.392CS..Hα-helixtrans-67.5-45174.5-55.20000110.7S113 I114 E115 F120 L121S113-T117 PolarHBondContact O-N 2.93Å; S113-T117 PolarHBondContact O-OG1 3.22Å; S113-T117 VanDerWaalsContact O-OG1 3.05Å; I114-T117 WeakPolarHBondContact O-CB 3.33Å; I114-T117 PolarHBondContact O-N 3.36Å; I114-T117 VanDerWaalsContact O-N 3.14Å; E115-T117 VanDerWaalsContact C-N 3.34Å; T117-F120 PolarHBondContact O-N 3.36Å; T117-L121 HydrophobicContact CG2-CD1 4.28Å; T117-L121 WeakPolarHBondContact O-CG 3.43Å; T117-L121 PolarHBondContact O-N 2.86Å
118M51.6Low53.3Low33 Ų3379.3 Ų79.316%0.16342%0.416CS..Hα-helixtrans-65.7-40.4177-64.6-48.8-84.600112I114 E115 L121 R122 V147I114-M118 HydrophobicContact CG2-CG 4.1Å; I114-M118 VanDerWaalsContact O-CG 3.25Å; I114-M118 WeakPolarHBondContact O-CG 3.05Å; I114-M118 PolarHBondContact O-N 3.45Å; E115-M118 PolarHBondContact O-N 3.33Å; M118-L121 PolarHBondContact O-N 3.32Å; M118-L121 HydrophobicContact SD-CD1 4.07Å; M118-R122 WeakPolarHBondContact O-CB 3.27Å; M118-R122 VanDerWaalsContact O-CG 3.27Å; M118-R122 WeakPolarHBondContact O-CG 3.42Å; M118-R122 PolarHBondContact O-N 2.9Å; M118-V147 HydrophobicContact CE-CB 3.49Å; M118-V147 VanDerWaalsContact CE-CB 3.49Å; M118-V147 HydrophobicContact CE-CG1 3.1Å; M118-V147 HydrophobicContact CE-CG2 3.5Å; M118-V147 VanDerWaalsContact CE-CG2 3.5Å
119K60.1Low53Low125 Ų12578.6 Ų78.654%0.54342%0.419SS..Hα-helixtrans-59.8-46.1172.8-177.1175.4177.41760111.2E115 R122 E123E115-K119 WeakPolarHBondContact O-CB 3.37Å; E115-K119 PolarHBondContact O-N 2.84Å; K119-R122 PolarHBondContact O-N 2.89Å; K119-E123 WeakPolarHBondContact CE-OE1 3.11Å; K119-E123 WeakPolarHBondContact O-CB 3.23Å; K119-E123 WeakPolarHBondContact O-CG 3.02Å; K119-E123 PolarHBondContact O-N 3.39Å
120F58.7Low52.8Low25 Ų2576 Ų7611%0.1141%0.408CS..Hα-helixtrans-63.5-43.6177.7179-103.9000112.6N105 I106 K109 L116 T117 R122 E123 Y124N105-F120 HydrophobicContact CB-CE1 4.14Å; N105-F120 HydrophobicContact CB-CE2 4.36Å; N105-F120 HydrophobicContact CB-CZ 3.52Å; I106-F120 HydrophobicContact CG1-CD1 4.14Å; I106-F120 HydrophobicContact CG1-CE1 3.78Å; K109-F120 HydrophobicContact CD-CD1 4.43Å; K109-F120 HydrophobicContact CD-CD2 4.06Å; K109-F120 HydrophobicContact CD-CE2 4.32Å; K109-F120 HydrophobicContact CD-CG 4.08Å; L116-F120 WeakPolarHBondContact O-CB 3.45Å; L116-F120 PolarHBondContact O-N 3.45Å; T117-F120 PolarHBondContact O-N 3.36Å; F120-R122 VanDerWaalsContact C-N 3.34Å; F120-R122 PolarHBondContact O-N 3.49Å; F120-E123 PolarHBondContact O-N 2.78Å; F120-Y124 VanDerWaalsContact O-CB 3.24Å; F120-Y124 WeakPolarHBondContact O-CB 3.12Å; F120-Y124 PolarHBondContact O-N 2.8Å
121L57.1Low52.7Low51 Ų5177.7 Ų77.727%0.26742%0.415SS..Hα-helixtrans-60.7-44.4175.5-73.3170.4000111I106 T117 M118 Y124 L125I106-L121 HydrophobicContact CD1-CD2 4.06Å; T117-L121 HydrophobicContact CG2-CD1 4.28Å; T117-L121 WeakPolarHBondContact O-CG 3.43Å; T117-L121 PolarHBondContact O-N 2.86Å; M118-L121 PolarHBondContact O-N 3.32Å; M118-L121 HydrophobicContact SD-CD1 4.07Å; L121-Y124 PolarHBondContact O-N 3.29Å; L121-L125 VanDerWaalsContact O-CB 3.26Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.04Å
122R58.1Low52.8Low72 Ų7277 Ų7727%0.27239%0.387SS..Hα-helixtrans-61.9-46.8175.5-73.3176.2-175.5-129.70.3112.2M118 K119 F120 Y124 N126 I143 D144 V147M118-R122 WeakPolarHBondContact O-CB 3.27Å; M118-R122 VanDerWaalsContact O-CG 3.27Å; M118-R122 WeakPolarHBondContact O-CG 3.42Å; M118-R122 PolarHBondContact O-N 2.9Å; K119-R122 PolarHBondContact O-N 2.89Å; F120-R122 VanDerWaalsContact C-N 3.34Å; F120-R122 PolarHBondContact O-N 3.49Å; R122-Y124 VanDerWaalsContact C-N 3.29Å; R122-Y124 PolarHBondContact O-N 2.98Å; R122-N126 WeakPolarHBondContact O-CB 3.38Å; R122-N126 PolarHBondContact O-N 3.32Å; R122-N126 PolarHBondContact O-ND2 3.05Å; R122-I143 HydrophobicContact CG-CG2 3.91Å; R122-D144 IonicContact CZ-OD1 2.67Å; R122-D144 IonicContact NH1-OD1 3.08Å; R122-D144 PolarHBondContact NH1-OD1 2.7Å; R122-D144 IonicContact NH2-OD1 2.69Å; R122-D144 PolarHBondContact NH2-OD1 2.99Å; R122-V147 HydrophobicContact CG-CG2 4.37Å
123E59.3Low52.4Low110 Ų11079.3 Ų79.351%0.51440%0.396SS..Hα-helixtrans-62.1-38.3177-77.1174.7-177.700111.8K119 F120 G127K119-E123 WeakPolarHBondContact CE-OE1 3.11Å; K119-E123 WeakPolarHBondContact O-CB 3.23Å; K119-E123 WeakPolarHBondContact O-CG 3.02Å; K119-E123 PolarHBondContact O-N 3.39Å; F120-E123 PolarHBondContact O-N 2.78Å; E123-G127 VanDerWaalsContact O-CA 3.31Å; E123-G127 WeakPolarHBondContact O-CA 3.35Å; E123-G127 PolarHBondContact O-N 3.35Å
124Y57.7Low51.5Low42 Ų4285.7 Ų85.717%0.16542%0.417CS..Hα-helixtrans-70-51.9178.2-179.9-103.1000111.3D99 A102 F120 L121 R122 N126 G127 F130D99-Y124 WeakPolarHBondContact CB-OH 3.36Å; A102-Y124 HydrophobicContact CB-CD1 4.26Å; A102-Y124 HydrophobicContact CB-CD2 4.07Å; A102-Y124 HydrophobicContact CB-CE1 3.65Å; A102-Y124 HydrophobicContact CB-CE2 3.45Å; A102-Y124 VanDerWaalsContact CB-CE2 3.45Å; A102-Y124 HydrophobicContact CB-CG 4.46Å; A102-Y124 WeakPolarHBondContact CB-OH 3.29Å; F120-Y124 VanDerWaalsContact O-CB 3.24Å; F120-Y124 WeakPolarHBondContact O-CB 3.12Å; F120-Y124 PolarHBondContact O-N 2.8Å; L121-Y124 PolarHBondContact O-N 3.29Å; R122-Y124 VanDerWaalsContact C-N 3.29Å; R122-Y124 PolarHBondContact O-N 2.98Å; Y124-N126 VanDerWaalsContact C-N 3.26Å; Y124-N126 PolarHBondContact O-N 2.86Å; Y124-G127 PolarHBondContact O-N 3.05Å; Y124-G127 VanDerWaalsContact O-N 3.1Å; Y124-F130 AromaticContact CD1-CD2 3.92Å; Y124-F130 HydrophobicContact CD1-CD2 3.92Å; Y124-F130 HydrophobicContact CD1-CE2 4.25Å; Y124-F130 AromaticContact CE1-CD2 3.35Å; Y124-F130 HydrophobicContact CE1-CD2 3.35Å; Y124-F130 AromaticContact CE1-CE2 3.6Å; Y124-F130 HydrophobicContact CE1-CE2 3.6Å; Y124-F130 AromaticContact CZ-CD2 3.79Å; Y124-F130 WeakPolarHBondContact O-CB 3.39Å
125L56.6Low50.8Low21 Ų2185.9 Ų85.911%0.1142%0.415CS..Hα-helixtrans-63-29.5179.6-70.2176.7000113.4L121 F130 W132L121-L125 VanDerWaalsContact O-CB 3.26Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.04Å; L125-F130 HydrophobicContact CD2-CD1 4.21Å; L125-F130 HydrophobicContact CD2-CD2 4.17Å; L125-F130 HydrophobicContact CD2-CE1 3.66Å; L125-F130 HydrophobicContact CD2-CE2 3.62Å; L125-F130 HydrophobicContact CD2-CG 4.43Å; L125-F130 HydrophobicContact CD2-CZ 3.32Å; L125-F130 WeakPolarHBondContact O-CD1 3.25Å; L125-W132 HydrophobicContact CB-CZ2 3.98Å; L125-W132 HydrophobicContact CD2-CH2 3.94Å; L125-W132 HydrophobicContact CD2-CZ2 4.15Å; L125-W132 PolarHBondContact O-NE1 2.84Å
126N56.1Low50.3Low102 Ų10282.3 Ų82.355%0.54540%0.396SS..THydrogen-bonded Turntrans-95.9-3.8175.8-68.8-45.3000113.9R122 Y124 I143R122-N126 WeakPolarHBondContact O-CB 3.38Å; R122-N126 PolarHBondContact O-N 3.32Å; R122-N126 PolarHBondContact O-ND2 3.05Å; Y124-N126 VanDerWaalsContact C-N 3.26Å; Y124-N126 PolarHBondContact O-N 2.86Å; N126-I143 VanDerWaalsContact CG-CD1 3.47Å; N126-I143 WeakPolarHBondContact ND2-CD1 3.16Å; N126-I143 WeakPolarHBondContact OD1-CD1 3.25Å
127G57.3Low49.3Very low17 Ų1783.1 Ų83.118%0.17540%0.4CS..SBendtrans-74.9157.5-176.600000112.3E123 Y124 N129 F130E123-G127 VanDerWaalsContact O-CA 3.31Å; E123-G127 WeakPolarHBondContact O-CA 3.35Å; E123-G127 PolarHBondContact O-N 3.35Å; Y124-G127 PolarHBondContact O-N 3.05Å; Y124-G127 VanDerWaalsContact O-N 3.1Å; G127-N129 PolarHBondContact O-N 2.04Å; G127-F130 PolarHBondContact O-N 3.32Å
128P50.9Low48.2Very low129 Ų12985.7 Ų85.784%0.83842%0.417SS*.THydrogen-bonded Turntrans-62-18178.227-35.7000113.3F130P128-F130 VanDerWaalsContact C-N 3.31Å
129N47.1Very low47.4Very low133 Ų13392.2 Ų92.271%0.71144%0.44SS*.THydrogen-bonded Turntrans-80.6-13.9178.8-61.2-26.8000112.5G127G127-N129 PolarHBondContact O-N 2.04Å
130F44.7Very low46.2Very low26 Ų2687.5 Ų87.511%0.11442%0.421CS..  trans-98.1105.8-179.3-160.9-94.4000110.9F96 Y124 L125 G127 P128 W132F96-F130 HydrophobicContact CD1-CE2 4.09Å; F96-F130 AromaticContact CD1-CZ 3.9Å; F96-F130 HydrophobicContact CD1-CZ 3.9Å; F96-F130 HydrophobicContact CE1-CD2 4.35Å; F96-F130 AromaticContact CE1-CE1 3.69Å; F96-F130 HydrophobicContact CE1-CE1 3.69Å; F96-F130 AromaticContact CE1-CE2 3.53Å; F96-F130 HydrophobicContact CE1-CE2 3.53Å; F96-F130 AromaticContact CE1-CZ 3.14Å; F96-F130 HydrophobicContact CE1-CZ 3.14Å; F96-F130 HydrophobicContact CE2-CZ 4.42Å; F96-F130 AromaticContact CZ-CE1 3.61Å; F96-F130 HydrophobicContact CZ-CE1 3.61Å; F96-F130 HydrophobicContact CZ-CE2 4.29Å; F96-F130 AromaticContact CZ-CZ 3.46Å; F96-F130 HydrophobicContact CZ-CZ 3.46Å; F96-F130 VanDerWaalsContact CZ-CZ 3.46Å; Y124-F130 AromaticContact CD1-CD2 3.92Å; Y124-F130 HydrophobicContact CD1-CD2 3.92Å; Y124-F130 HydrophobicContact CD1-CE2 4.25Å; Y124-F130 AromaticContact CE1-CD2 3.35Å; Y124-F130 HydrophobicContact CE1-CD2 3.35Å; Y124-F130 AromaticContact CE1-CE2 3.6Å; Y124-F130 HydrophobicContact CE1-CE2 3.6Å; Y124-F130 AromaticContact CZ-CD2 3.79Å; Y124-F130 WeakPolarHBondContact O-CB 3.39Å; L125-F130 HydrophobicContact CD2-CD1 4.21Å; L125-F130 HydrophobicContact CD2-CD2 4.17Å; L125-F130 HydrophobicContact CD2-CE1 3.66Å; L125-F130 HydrophobicContact CD2-CE2 3.62Å; L125-F130 HydrophobicContact CD2-CG 4.43Å; L125-F130 HydrophobicContact CD2-CZ 3.32Å; L125-F130 WeakPolarHBondContact O-CD1 3.25Å; G127-F130 PolarHBondContact O-N 3.32Å; P128-F130 VanDerWaalsContact C-N 3.31Å; F130-W132 AromaticContact CD1-CD2 3.87Å; F130-W132 HydrophobicContact CD1-CD2 3.87Å; F130-W132 AromaticContact CD1-CE2 3.58Å; F130-W132 HydrophobicContact CD1-CE3 4.38Å; F130-W132 HydrophobicContact CD1-CG 4.2Å; F130-W132 HydrophobicContact CD1-CH2 4.39Å; F130-W132 AromaticContact CD1-CZ2 3.91Å; F130-W132 HydrophobicContact CD1-CZ2 3.91Å; F130-W132 AromaticContact CD1-NE1 3.69Å; F130-W132 AromaticContact CE1-CD2 3.57Å; F130-W132 HydrophobicContact CE1-CD2 3.57Å; F130-W132 AromaticContact CE1-CE2 3.51Å; F130-W132 AromaticContact CE1-CE3 3.62Å; F130-W132 HydrophobicContact CE1-CE3 3.62Å; F130-W132 HydrophobicContact CE1-CG 4.28Å; F130-W132 AromaticContact CE1-CH2 3.6Å; F130-W132 HydrophobicContact CE1-CH2 3.6Å; F130-W132 AromaticContact CE1-CZ2 3.57Å; F130-W132 HydrophobicContact CE1-CZ2 3.57Å; F130-W132 AromaticContact CE1-CZ3 3.6Å; F130-W132 HydrophobicContact CE1-CZ3 3.6Å; F130-W132 HydrophobicContact CZ-CH2 4.29Å; F130-W132 HydrophobicContact CZ-CZ3 4.27Å; F130-W132 PolarHBondContact O-N 3.14Å
131K44Very low44.9Very low177 Ų17794.7 Ų94.777%0.7746%0.455SS*.  trans-89.699.7176.3-70.8-177.5-179.3176.60109.8F96 H133F96-K131 WeakPolarHBondContact CZ-O 3.33Å; K131-H133 PolarHBondContact O-N 3.2Å
132W45.9Very low43.7Very low70 Ų7094.5 Ų94.527%0.26546%0.457SS..  trans-58.5127.8166.9-67.8102000110.2F96 L125 F130 K134 I137 L140F96-W132 HydrophobicContact CZ-CE3 4.47Å; L125-W132 HydrophobicContact CB-CZ2 3.98Å; L125-W132 HydrophobicContact CD2-CH2 3.94Å; L125-W132 HydrophobicContact CD2-CZ2 4.15Å; L125-W132 PolarHBondContact O-NE1 2.84Å; F130-W132 AromaticContact CD1-CD2 3.87Å; F130-W132 HydrophobicContact CD1-CD2 3.87Å; F130-W132 AromaticContact CD1-CE2 3.58Å; F130-W132 HydrophobicContact CD1-CE3 4.38Å; F130-W132 HydrophobicContact CD1-CG 4.2Å; F130-W132 HydrophobicContact CD1-CH2 4.39Å; F130-W132 AromaticContact CD1-CZ2 3.91Å; F130-W132 HydrophobicContact CD1-CZ2 3.91Å; F130-W132 AromaticContact CD1-NE1 3.69Å; F130-W132 AromaticContact CE1-CD2 3.57Å; F130-W132 HydrophobicContact CE1-CD2 3.57Å; F130-W132 AromaticContact CE1-CE2 3.51Å; F130-W132 AromaticContact CE1-CE3 3.62Å; F130-W132 HydrophobicContact CE1-CE3 3.62Å; F130-W132 HydrophobicContact CE1-CG 4.28Å; F130-W132 AromaticContact CE1-CH2 3.6Å; F130-W132 HydrophobicContact CE1-CH2 3.6Å; F130-W132 AromaticContact CE1-CZ2 3.57Å; F130-W132 HydrophobicContact CE1-CZ2 3.57Å; F130-W132 AromaticContact CE1-CZ3 3.6Å; F130-W132 HydrophobicContact CE1-CZ3 3.6Å; F130-W132 HydrophobicContact CZ-CH2 4.29Å; F130-W132 HydrophobicContact CZ-CZ3 4.27Å; F130-W132 PolarHBondContact O-N 3.14Å; W132-K134 PolarHBondContact O-N 2.81Å; W132-I137 HydrophobicContact CB-CG1 3.93Å; W132-L140 HydrophobicContact CD2-CD1 3.62Å; W132-L140 HydrophobicContact CE3-CD1 3.25Å; W132-L140 HydrophobicContact CH2-CD1 3.22Å; W132-L140 HydrophobicContact CH2-CD2 3.38Å; W132-L140 HydrophobicContact CH2-CG 3.89Å; W132-L140 HydrophobicContact CZ2-CD1 3.55Å; W132-L140 HydrophobicContact CZ2-CD2 4.01Å; W132-L140 HydrophobicContact CZ2-CG 4.36Å; W132-L140 HydrophobicContact CZ3-CD1 3.08Å; W132-L140 HydrophobicContact CZ3-CD2 3.89Å; W132-L140 HydrophobicContact CZ3-CG 4.03Å
133H39Very low42.7Very low115 Ų11592.3 Ų92.353%0.53245%0.451SS..  trans-62126.7162.4-91.6-79.7000108.2K131 Q135 Y136K131-H133 PolarHBondContact O-N 3.2Å; H133-Q135 PolarHBondContact O-N 2.99Å; H133-Y136 HydrophobicContact CB-CD2 3.87Å; H133-Y136 HydrophobicContact CB-CE2 4.37Å; H133-Y136 PolarHBondContact O-N 3.11Å
134K33Very low41.4Very low188 Ų18890.9 Ų90.982%0.81745%0.447SS*.THydrogen-bonded Turntrans-48-24.9-172-73.9-175.9175.6-176.10115.6W132 Y136W132-K134 PolarHBondContact O-N 2.81Å; K134-Y136 VanDerWaalsContact C-N 3.28Å; K134-Y136 PolarHBondContact O-N 2.87Å
135Q35.1Very low40.1Very low123 Ų12391.5 Ų91.558%0.57546%0.46SS*.THydrogen-bonded Turntrans-77-8.3177.8-61.8-163.9-23.400114.5H133H133-Q135 PolarHBondContact O-N 2.99Å
136Y39.9Very low39Very low56 Ų5694.9 Ų94.922%0.2248%0.475CS..SBendtrans-105.4-13.4-176.6-69.8-86.5000114.1L75 H133 K134 P138 R139 L140L75-Y136 HydrophobicContact CD2-CE1 4.45Å; L75-Y136 VanDerWaalsContact CD2-OH 3.32Å; L75-Y136 WeakPolarHBondContact CD2-OH 3.44Å; H133-Y136 HydrophobicContact CB-CD2 3.87Å; H133-Y136 HydrophobicContact CB-CE2 4.37Å; H133-Y136 PolarHBondContact O-N 3.11Å; K134-Y136 VanDerWaalsContact C-N 3.28Å; K134-Y136 PolarHBondContact O-N 2.87Å; Y136-P138 VanDerWaalsContact C-N 3.35Å; Y136-R139 PolarHBondContact O-N 3.39Å; Y136-L140 VanDerWaalsContact O-CD1 3.3Å; Y136-L140 WeakPolarHBondContact O-CD1 3.16Å; Y136-L140 PolarHBondContact O-N 3.04Å
137I30.9Very low38Very low105 Ų10591.3 Ų91.354%0.53846%0.456SS..G310 helixtrans-56.1-41.2179.9-61.2172.7000112.3W132 R139W132-I137 HydrophobicContact CB-CG1 3.93Å; I137-R139 VanDerWaalsContact C-N 3.34Å; I137-R139 PolarHBondContact O-N 2.84Å
138P28.4Very low36.8Very low79 Ų7994 Ų9451%0.51348%0.476SS..G310 helixtrans-77-14.9175.8-14.430.7000114.3Y136 Q141Y136-P138 VanDerWaalsContact C-N 3.35Å; P138-Q141 VanDerWaalsContact O-CG 3.31Å; P138-Q141 WeakPolarHBondContact O-CG 3.15Å
139R35.1Very low35.8Very low171 Ų17193.7 Ų93.765%0.64546%0.464SS*.G310 helixtrans-91-1.7-176.8-73.8-172.1171.8-169.7-1.5113.7Y136 I137Y136-R139 PolarHBondContact O-N 3.39Å; I137-R139 VanDerWaalsContact C-N 3.34Å; I137-R139 PolarHBondContact O-N 2.84Å
140L34.7Very low35Very low26 Ų2695.1 Ų95.114%0.13647%0.466CS..G310 helixtrans-108.226.4172.9-64.9136.1000112W132 Y136 S142 I143 F146W132-L140 HydrophobicContact CD2-CD1 3.62Å; W132-L140 HydrophobicContact CE3-CD1 3.25Å; W132-L140 HydrophobicContact CH2-CD1 3.22Å; W132-L140 HydrophobicContact CH2-CD2 3.38Å; W132-L140 HydrophobicContact CH2-CG 3.89Å; W132-L140 HydrophobicContact CZ2-CD1 3.55Å; W132-L140 HydrophobicContact CZ2-CD2 4.01Å; W132-L140 HydrophobicContact CZ2-CG 4.36Å; W132-L140 HydrophobicContact CZ3-CD1 3.08Å; W132-L140 HydrophobicContact CZ3-CD2 3.89Å; W132-L140 HydrophobicContact CZ3-CG 4.03Å; Y136-L140 VanDerWaalsContact O-CD1 3.3Å; Y136-L140 WeakPolarHBondContact O-CD1 3.16Å; Y136-L140 PolarHBondContact O-N 3.04Å; L140-S142 CarbonylContact O-C 3.59Å; L140-S142 WeakPolarHBondContact O-CA 3.25Å; L140-S142 PolarHBondContact O-N 3.47Å; L140-I143 HydrophobicContact CB-CG1 4.39Å; L140-I143 HydrophobicContact CD2-CG1 4.3Å; L140-I143 PolarHBondContact O-N 3.2Å; L140-F146 HydrophobicContact CD2-CB 4.41Å; L140-F146 HydrophobicContact CD2-CD2 4.36Å; L140-F146 HydrophobicContact CD2-CG 4.33Å
141Q31.3Very low34.2Very low176 Ų17699.4 Ų99.482%0.82249%0.489SS*.SBendtrans-57.7-3.7178.9-86.1179.3-15.900114.7P138P138-Q141 VanDerWaalsContact O-CG 3.31Å; P138-Q141 WeakPolarHBondContact O-CG 3.15Å
142S33.1Very low33.6Very low47 Ų4794.9 Ų94.933%0.32947%0.468SS..  -145.3128.4129.366.60000110.9L140 D144 A145 F146L140-S142 CarbonylContact O-C 3.59Å; L140-S142 WeakPolarHBondContact O-CA 3.25Å; L140-S142 PolarHBondContact O-N 3.47Å; S142-D144 PolarHBondContact O-N 3.11Å; S142-A145 WeakPolarHBondContact O-CB 3.33Å; S142-A145 PolarHBondContact O-N 2.76Å; S142-A145 WeakPolarHBondContact OG-CB 3Å; S142-A145 PolarHBondContact OG-N 2.82Å; S142-F146 PolarHBondContact O-N 3.03Å
143I36.4Very low32.9Very low26 Ų2694.2 Ų94.213%0.13347%0.472CS..Hα-helixtrans-54.9-28.2162.2-73170.5000109.2R122 N126 L140 A145 F146 V147R122-I143 HydrophobicContact CG-CG2 3.91Å; N126-I143 VanDerWaalsContact CG-CD1 3.47Å; N126-I143 WeakPolarHBondContact ND2-CD1 3.16Å; N126-I143 WeakPolarHBondContact OD1-CD1 3.25Å; L140-I143 HydrophobicContact CB-CG1 4.39Å; L140-I143 HydrophobicContact CD2-CG1 4.3Å; L140-I143 PolarHBondContact O-N 3.2Å; I143-A145 PolarHBondContact O-N 2.87Å; I143-F146 PolarHBondContact O-N 2.84Å; I143-V147 HydrophobicContact CG2-CG2 4.16Å; I143-V147 WeakPolarHBondContact O-CB 3.14Å; I143-V147 WeakPolarHBondContact O-CG2 3.38Å; I143-V147 PolarHBondContact O-N 3.39Å
144D31.8Very low32.3Very low79 Ų7995.6 Ų95.642%0.42248%0.478SS..Hα-helixtrans-57.8-38.9167.6-60.1-62.2000113.5R122 S142 V147 A148R122-D144 IonicContact CZ-OD1 2.67Å; R122-D144 IonicContact NH1-OD1 3.08Å; R122-D144 PolarHBondContact NH1-OD1 2.7Å; R122-D144 IonicContact NH2-OD1 2.69Å; R122-D144 PolarHBondContact NH2-OD1 2.99Å; S142-D144 PolarHBondContact O-N 3.11Å; D144-V147 CarbonylContact O-C 3.28Å; D144-V147 PolarHBondContact O-N 2.82Å; D144-A148 WeakPolarHBondContact O-CA 3.16Å; D144-A148 WeakPolarHBondContact O-CB 3.43Å; D144-A148 PolarHBondContact O-N 3.33Å
145A30Very low32.1Very low55 Ų5589.4 Ų89.446%0.45546%0.463SS..Hα-helixtrans-73.6-31.517600000112.7S142 I143 V147 H149S142-A145 WeakPolarHBondContact O-CB 3.33Å; S142-A145 PolarHBondContact O-N 2.76Å; S142-A145 WeakPolarHBondContact OG-CB 3Å; S142-A145 PolarHBondContact OG-N 2.82Å; I143-A145 PolarHBondContact O-N 2.87Å; A145-V147 VanDerWaalsContact C-N 3.29Å; A145-H149 PolarHBondContact O-N 3.27Å
146F34Very low31.8Very low93 Ų9387.5 Ų87.541%0.40845%0.453SS..Hα-helixtrans-69.6-30.9172.5-162.2-96.4000111.8L140 S142 I143 Y152L140-F146 HydrophobicContact CD2-CB 4.41Å; L140-F146 HydrophobicContact CD2-CD2 4.36Å; L140-F146 HydrophobicContact CD2-CG 4.33Å; S142-F146 PolarHBondContact O-N 3.03Å; I143-F146 PolarHBondContact O-N 2.84Å; F146-Y152 HydrophobicContact CE1-CE1 4.47Å; F146-Y152 HydrophobicContact CZ-CE1 4.03Å
147V35.1Very low31.3Very low27 Ų2789.8 Ų89.816%0.16447%0.465CS..Hα-helixtrans-87.5-31.7178.91540000112.7M118 R122 I143 D144 A145M118-V147 HydrophobicContact CE-CB 3.49Å; M118-V147 VanDerWaalsContact CE-CB 3.49Å; M118-V147 HydrophobicContact CE-CG1 3.1Å; M118-V147 HydrophobicContact CE-CG2 3.5Å; M118-V147 VanDerWaalsContact CE-CG2 3.5Å; R122-V147 HydrophobicContact CG-CG2 4.37Å; I143-V147 HydrophobicContact CG2-CG2 4.16Å; I143-V147 WeakPolarHBondContact O-CB 3.14Å; I143-V147 WeakPolarHBondContact O-CG2 3.38Å; I143-V147 PolarHBondContact O-N 3.39Å; D144-V147 CarbonylContact O-C 3.28Å; D144-V147 PolarHBondContact O-N 2.82Å; A145-V147 VanDerWaalsContact C-N 3.29Å
148A33.5Very low31.1Very low72 Ų7289.1 Ų89.160%0.59547%0.466SS*.Hα-helixtrans-90.6-6.1-173.400000114D144 E150D144-A148 WeakPolarHBondContact O-CA 3.16Å; D144-A148 WeakPolarHBondContact O-CB 3.43Å; D144-A148 PolarHBondContact O-N 3.33Å; A148-E150 PolarHBondContact O-N 3.14Å
149H29.1Very low31Very low124 Ų12491.1 Ų91.157%0.57447%0.471SS*.  trans-71.498.7161-94.9-32.3000108.5A145 L151 Y152A145-H149 PolarHBondContact O-N 3.27Å; H149-L151 PolarHBondContact O-N 2.98Å; H149-Y152 PolarHBondContact O-N 3.22Å
150E31Very low30.6Very low162 Ų16285.5 Ų85.576%0.75746%0.462SS*.Hα-helixtrans-47.3-27.4168.7-73.8179.9145.200112A148 Y152 V153 E154A148-E150 PolarHBondContact O-N 3.14Å; E150-Y152 VanDerWaalsContact C-N 3.28Å; E150-Y152 PolarHBondContact O-N 3.36Å; E150-V153 PolarHBondContact O-N 3.13Å; E150-E154 PolarHBondContact O-N 3.3Å
151L27.9Very low30.1Very low116 Ų11690.5 Ų90.561%0.60749%0.488SS*.Hα-helixtrans-63.7-19.4172.5-79.6158.7000114.8H149 A155H149-L151 PolarHBondContact O-N 2.98Å; L151-A155 WeakPolarHBondContact O-CA 3.44Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 3.07Å
152Y29.5Very low29.8Very low83 Ų8387.1 Ų87.133%0.32548%0.48SS..Hα-helixtrans-88.3-26.9173.1-114-98.8000112.7F146 H149 E150 E154 E156F146-Y152 HydrophobicContact CE1-CE1 4.47Å; F146-Y152 HydrophobicContact CZ-CE1 4.03Å; H149-Y152 PolarHBondContact O-N 3.22Å; E150-Y152 VanDerWaalsContact C-N 3.28Å; E150-Y152 PolarHBondContact O-N 3.36Å; Y152-E154 VanDerWaalsContact C-N 3.3Å; Y152-E156 HydrophobicContact CD1-CB 4.32Å; Y152-E156 HydrophobicContact CD1-CG 4.2Å; Y152-E156 HydrophobicContact CE1-CB 4.49Å; Y152-E156 VanDerWaalsContact CE1-CD 3.41Å; Y152-E156 HydrophobicContact CE1-CG 3.93Å; Y152-E156 WeakPolarHBondContact CE1-OE2 3.4Å; Y152-E156 PolarHBondContact O-N 2.86Å
153V31.3Very low29.5Very low56 Ų5696.5 Ų96.534%0.33951%0.508SS..Hα-helixtrans-73.2-25.3170.4-176.10000110.7E150 F157E150-V153 PolarHBondContact O-N 3.13Å; V153-F157 WeakPolarHBondContact O-CB 3.29Å
154E27.6Very low28.9Very low143 Ų143100.6 Ų100.667%0.66854%0.537SS*.Hα-helixtrans-98.4-31.3172.1-75.2-170.7143.600115.3E150 Y152 T158E150-E154 PolarHBondContact O-N 3.3Å; Y152-E154 VanDerWaalsContact C-N 3.3Å; E154-T158 PolarHBondContact O-OG1 2.98Å
155A28.4Very low28.6Very low59 Ų59106.2 Ų106.249%0.48856%0.558SS.*Hα-helixtrans-93.2-16.9-174.400000115.9L151L151-A155 WeakPolarHBondContact O-CA 3.44Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 3.07Å
156E29.4Very low28.3Very low82 Ų82115 Ų11538%0.38358%0.579SS.*SBendtrans-112.8-9.2171.8-75.2-159.8156.800114.9Y152 T158Y152-E156 HydrophobicContact CD1-CB 4.32Å; Y152-E156 HydrophobicContact CD1-CG 4.2Å; Y152-E156 HydrophobicContact CE1-CB 4.49Å; Y152-E156 VanDerWaalsContact CE1-CD 3.41Å; Y152-E156 HydrophobicContact CE1-CG 3.93Å; Y152-E156 WeakPolarHBondContact CE1-OE2 3.4Å; Y152-E156 PolarHBondContact O-N 2.86Å; E156-T158 VanDerWaalsContact C-N 3.34Å
157F28.9Very low28Very low104 Ų104116.8 Ų116.846%0.45660%0.598SS.*THydrogen-bonded Turntrans-79.9-15.7162.8-103.2-94.9000113.5V153 L159 A160 L161V153-F157 WeakPolarHBondContact O-CB 3.29Å; F157-L159 PolarHBondContact O-N 2.79Å; F157-A160 PolarHBondContact O-N 3.45Å; F157-L161 HydrophobicContact CD1-CD1 4.42Å
158T27.5Very low27.6Very low91 Ų91124.7 Ų124.756%0.55863%0.634SS**Hα-helixtrans-74.9-10.3171.9-57.60000112.8E154 E156 T162E154-T158 PolarHBondContact O-OG1 2.98Å; E156-T158 VanDerWaalsContact C-N 3.34Å; T158-T162 PolarHBondContact O-OG1 3.42Å
159L26.2Very low27.3Very low121 Ų121129.3 Ų129.363%0.63465%0.645SS**Hα-helixtrans-88-5.1175.7-98.9151.6000114.7F157F157-L159 PolarHBondContact O-N 2.79Å
160A25.3Very low27.3Very low54 Ų54129.4 Ų129.445%0.44665%0.654SS.*Hα-helixtrans-126.9-11.5178.900000116.1F157F157-A160 PolarHBondContact O-N 3.45Å
161L24.7Very low27.2Very low130 Ų130129.8 Ų129.868%0.68166%0.655SS**Hα-helixtrans-99.4-12.2176.6-82158.8000114.4F157F157-L161 HydrophobicContact CD1-CD1 4.42Å
162T26.1Very low27.3Very low106 Ų106128.5 Ų128.565%0.6566%0.662SS**THydrogen-bonded Turntrans-93.58.4-176.9-21.30000114.5T158T158-T162 PolarHBondContact O-OG1 3.42Å
163R25.2Very low27.5Very low243 Ų243132.4 Ų132.492%0.91768%0.68SS**THydrogen-bonded Turntrans-108.211.8170.1-88-172.8174.6-177.20.2115.2
164C24Very low27.4Very low112 Ų112138.6 Ų138.676%0.75770%0.703SS**  trans-98.354.5164.3-710000111.8
165K25.6Very low27.7Very low198 Ų198139.7 Ų139.786%0.86171%0.711SS**SBendtrans-144.774.4164.2-83.2-168.2178.9174.30111
166R24.8Very low28Very low238 Ų238142.9 Ų142.990%0.89872%0.72SS**SBendtrans16097.9146.7-97.5176.3173.6164.6-0.4110.1
167T26.1Very low28.2Very low131 Ų131147.7 Ų147.780%0.80474%0.743SS**  174.969.3128.835.30000109.4
168E28.5Very low28.4Very low194 Ų194146.1 Ų146.191%0.90776%0.756SS**  -110.591.8125.8-77-167.2164.400104.6V170E168-V170 PolarHBondContact O-N 3.34Å
169M27.3Very low28.8Very low169 Ų169150.9 Ų150.983%0.83377%0.772SS**  trans-50.6107.1150.4-88.2175.885.500104.8Q171M169-Q171 PolarHBondContact O-N 2.84Å
170V28.3Very low29.2Very low125 Ų125150.2 Ų150.276%0.75878%0.783SS**  trans-16.7103.1145.5178.20000107.6E168 A172E168-V170 PolarHBondContact O-N 3.34Å; V170-A172 HydrophobicContact CG1-CB 4.3Å; V170-A172 PolarHBondContact O-N 2.66Å
171Q29.7Very low29.6Very low170 Ų170151.2 Ų151.279%0.79480%0.799SS**  trans-64.484.9158.6-80.5-166.413.300105M169 K173M169-Q171 PolarHBondContact O-N 2.84Å; Q171-K173 HydrophobicContact CB-CB 4.45Å; Q171-K173 PolarHBondContact O-N 3.44Å
172A28.2Very low30Very low89 Ų89153.5 Ų153.574%0.73681%0.812SS**  trans-67.566.8153.900000106V170 K174V170-A172 HydrophobicContact CG1-CB 4.3Å; V170-A172 PolarHBondContact O-N 2.66Å; A172-K174 PolarHBondContact O-N 3.5Å
173K34.2Very low30.3Very low165 Ų165152.2 Ų152.272%0.71782%0.82SS**  trans-81.8100.2170.6-152.5178.3-175.1-175.90104.9Q171 I175Q171-K173 HydrophobicContact CB-CB 4.45Å; Q171-K173 PolarHBondContact O-N 3.44Å; K173-I175 PolarHBondContact O-N 3.38Å
174K29.4Very low30.6Very low186 Ų186149 Ų14981%0.80982%0.815SS**  trans-15.7118.1161.3-67.3176.7171.5-172.20112.5A172A172-K174 PolarHBondContact O-N 3.5Å
175I33.2Very low31.3Very low167 Ų167152.8 Ų152.886%0.85682%0.819SS**  trans-126.887150.4-57.9-179.7000104.7K173K173-I175 PolarHBondContact O-N 3.38Å
176D36.1Very low31.6Very low125 Ų125152.4 Ų152.467%0.66882%0.82SS**  trans-59.5133.7154.6-86.2-41.1000107.6
177E34.1Very low31.9Very low184 Ų184147.1 Ų147.186%0.8681%0.814SS**  trans33.7117.9136.5-56.3-176.8161.600118.2
178G31.6Very low32.2Very low71 Ų71149 Ų14973%0.73281%0.814SS**  trans132.3108.4144.900000115.8
179E37.2Very low32.4Very low191 Ų191149.2 Ų149.289%0.89381%0.812SS**  trans71.3102140-62.7-173.7144.700119.2
180A32.9Very low32.4Very low106 Ų106146.3 Ų146.388%0.87680%0.803SS**  54.5110.812000000117.9
181G33.8Very low32.4Very low75 Ų75150.5 Ų150.577%0.77381%0.807SS**  trans165.895.2157.500000114.1
182N32.9Very low32.4Very low178 Ų178147 Ų14795%0.95281%0.807SS**  trans-14.3131.7154.6-62.3-26.6000115.8
183G32.5Very low32.3Very low79 Ų79148.3 Ų148.381%0.81481%0.811SS**  trans159.3114.6160.200000113.5
184E33.4Very low32Very low177 Ų177144.8 Ų144.883%0.82781%0.812SS**  trans-64144-174.2-65.3168.711200115
185K37.3Very low31.9Very low191 Ų191143.9 Ų143.983%0.8382%0.815SS**  trans73.298.1147.8-70.7173179.81710119.8
186E33.2Very low31.7Very low190 Ų190141.2 Ų141.289%0.88881%0.811SS**  trans-55.9124.2154.4-84.7177.8123.100111.6
187V30.1Very low31.3Very low127 Ų127138.8 Ų138.877%0.7782%0.816SS**  71.18482.4-175.40000112.8
188E32.3Very low31.1Very low170 Ų170139.7 Ų139.779%0.79482%0.819SS**PPolyproline II helixtrans-85.2123.3162.5-166.5171.2-168.600109
189K32.7Very low30.9Very low199 Ų199139.7 Ų139.787%0.86582%0.819SS**PPolyproline II helixtrans-74.9133.2-172-78.1175.2176.2174.40112.3
190T27.9Very low30.8Very low107 Ų107136 Ų13666%0.65681%0.814SS**PPolyproline II helixtrans-95.5156170.6-33.20000111
191Y28.5Very low30.6Very low214 Ų214139 Ų13984%0.83981%0.81SS**  trans104.375.2156.8-64.9-75.9000119
192A28.2Very low30.8Very low95 Ų95141.2 Ų141.279%0.78580%0.804SS**SBendtrans-99.6132.7130.800000109.2
193S27Very low31Very low118 Ų118140.6 Ų140.683%0.82579%0.793SS**  trans61.1116.8157.9-147.30000119.6
194A27.9Very low31Very low90 Ų90143.7 Ų143.774%0.74479%0.786SS**  165121117.200000111.7
195I27.9Very low30.9Very low167 Ų167143.2 Ų143.286%0.85678%0.784SS**  trans-73.1133.2153-64.8167.2000106.4
196S29.1Very low30.5Very low112 Ų112143 Ų14378%0.78379%0.786SS**  trans87.8124165.5860000120
197G27.5Very low30.2Very low74 Ų74140.8 Ų140.876%0.76378%0.779SS**  91.2100.1127.500000119.9
198H29.5Very low30.2Very low203 Ų203141.7 Ų141.794%0.9479%0.785SS**  trans40.9127.2145.1-80.8-30.5000122.6
199G27.9Very low30Very low70 Ų70141 Ų14172%0.72278%0.782SS**  trans12696.5130.100000118.7
200S33.7Very low29.7Very low113 Ų113137.8 Ų137.879%0.7978%0.782SS**  trans55.4109.8144.864.50000122.8
201E30.5Very low29.7Very low171 Ų171139.2 Ų139.280%0.79978%0.784SS**  63.4124118.6-66.5-169.1165.700123.8
202N37Very low29.6Very low121 Ų121134 Ų13465%0.64778%0.779SS**  trans104.9102.9132.1-77-33.3000121.3
203K36.2Very low29.6Very low165 Ų165133.4 Ų133.472%0.71777%0.774SS**  101.4115.7118.7-75.8-177.4-178.7-177.10121.9
204Q33.7Very low29.6Very low143 Ų143138.5 Ų138.567%0.66878%0.782SS**  trans70.8108133.9-77.9173.5-52.100119.4
205Q30.7Very low29.6Very low168 Ų168142.1 Ų142.179%0.78578%0.784SS**  67.612796.3-73.2179.3-12.800112.5
206Q28.3Very low29.6Very low185 Ų185142.4 Ų142.486%0.86479%0.787SS**  -172.214851.4-160.616819.400111.7
207L27.7Very low29.6Very low144 Ų144142.6 Ų142.675%0.75479%0.788SS**  trans-56.9141.6175.8-10782000115.5
208V30.1Very low29.6Very low147 Ų147147.8 Ų147.889%0.89179%0.793SS**  trans-140.8142149.2-177.20000110.1
209Q28.2Very low29.4Very low154 Ų154149.5 Ų149.572%0.7279%0.792SS**  trans-60.4160.9-160.9-65.2174.2-13.700118.8
210P27.3Very low29.4Very low133 Ų133154.6 Ų154.686%0.86480%0.798SS**  trans-87.3118.1165.533.7-25.9000110.8
211L26.4Very low29Very low136 Ų136157.6 Ų157.671%0.71280%0.799SS**  trans-125.5115.6170.5-101.5140.9000108.7
212S27.3Very low28.8Very low104 Ų104155 Ų15573%0.72779%0.789SS**  trans35.1117.4142.260.20000119.7
213A27.7Very low28.2Very low83 Ų83156.1 Ų156.169%0.68679%0.788SS**  167.891.8126.500000109.1E215A213-E215 HydrophobicContact CB-CG 4.47Å; A213-E215 PolarHBondContact O-N 2.84Å
214F28Very low27.9Very low226 Ų226153.1 Ų153.199%0.99179%0.794SS**  trans-82.486.2153.6-87.4-88.9000105.5
215E27.9Very low27.7Very low166 Ų166150.7 Ų150.778%0.77679%0.793SS**  trans-80.8133.6162.7-80-177.7158.900108.5A213 S217A213-E215 HydrophobicContact CB-CG 4.47Å; A213-E215 PolarHBondContact O-N 2.84Å; E215-S217 PolarHBondContact O-N 3.08Å
216D27.2Very low27.5Very low172 Ų172148.9 Ų148.992%0.9279%0.789SS**  trans-44.1116.3169.6-64.6-49.2000110.7
217S29.1Very low27.6Very low116 Ų116148.7 Ų148.781%0.81178%0.782SS**  trans-120119.6163.3440000109.6E215E215-S217 PolarHBondContact O-N 3.08Å
218E27.4Very low27.6Very low184 Ų184150.8 Ų150.886%0.8679%0.787SS**  trans-34.1134-174.2-71.9165.8135.700116.7Q220E218-Q220 PolarHBondContact O-N 3.1Å; E218-Q220 VanDerWaalsContact O-N 3.14Å
219Y25.9Very low27.5Very low238 Ų238152.2 Ų152.293%0.93378%0.782SS**  trans-51112.1154.4-95.9-103.6000109.8
220Q26.4Very low27.4Very low178 Ų178149.2 Ų149.283%0.83278%0.778SS**  trans-86.8108.4158.8-86.6-176.4-8.800108.7E218 I222E218-Q220 PolarHBondContact O-N 3.1Å; E218-Q220 VanDerWaalsContact O-N 3.14Å; Q220-I222 PolarHBondContact O-N 3.02Å; Q220-I222 VanDerWaalsContact O-N 3.13Å
221E26Very low27.4Very low175 Ų175148.5 Ų148.582%0.81878%0.777SS**  trans-69.7100170.6-163.2179.2-14700108.7K223E221-K223 PolarHBondContact O-N 3.08Å
222I26.2Very low27.6Very low116 Ų116153.9 Ų153.960%0.59579%0.787SS**  trans-76.9111.3173.6-56.2175.8000107.5Q220Q220-I222 PolarHBondContact O-N 3.02Å; Q220-I222 VanDerWaalsContact O-N 3.13Å
223K24Very low27.6Very low145 Ų145152.6 Ų152.663%0.6379%0.791SS**  trans-67.7136175.6-72.5-177.7178.2178.40110.3E221 S225E221-K223 PolarHBondContact O-N 3.08Å; K223-S225 PolarHBondContact O-N 3.01Å
224A30.2Very low27.4Very low102 Ų102152 Ų15284%0.84379%0.793SS**THydrogen-bonded Turntrans-63.45.7177.600000115.2
225S29.3Very low27.4Very low92 Ų92153.2 Ų153.264%0.64379%0.791SS**THydrogen-bonded Turntrans-85.3-10.7-177.653.60000114.9K223K223-S225 PolarHBondContact O-N 3.01Å
226D27.6Very low27.3Very low131 Ų131152.3 Ų152.370%0.70179%0.791SS**  trans-100.212.2-167.6-65.1-0.8000113.9
227Y29Very low27.3Very low180 Ų180150.4 Ų150.471%0.70679%0.786SS**  trans-103.195.4175.5-83.2-87.7000111.8F229Y227-F229 PolarHBondContact O-N 3.05Å
228E27.9Very low27.1Very low188 Ų188151.8 Ų151.888%0.87978%0.784SS**  trans-74.8100.5161.4-75.9-172.6161.400109.5S230E228-S230 PolarHBondContact O-N 3.33Å; E228-S230 VanDerWaalsContact O-N 3.14Å
229F28.9Very low26.9Very low177 Ų177148.2 Ų148.278%0.77678%0.78SS**  trans-70.8105.8170.7-102.2-93.6000110Y227 S231Y227-F229 PolarHBondContact O-N 3.05Å; F229-S231 PolarHBondContact O-N 3.14Å
230S26Very low26.8Very low92 Ų92143 Ų14364%0.64378%0.777SS**  trans-68.7117.9166.3-64.20000109.6E228 W232E228-S230 PolarHBondContact O-N 3.33Å; E228-S230 VanDerWaalsContact O-N 3.14Å; S230-W232 VanDerWaalsContact O-CD1 3.3Å; S230-W232 PolarHBondContact O-N 3.28Å; S230-W232 VanDerWaalsContact O-N 3.17Å
231S26.6Very low26.7Very low118 Ų118140.2 Ų140.283%0.82578%0.776SS**  trans-67.8106.9179.162.50000111.1F229 G233F229-S231 PolarHBondContact O-N 3.14Å; S231-G233 PolarHBondContact O-N 3.14Å
232W31.2Very low26.6Very low248 Ų248139.9 Ų139.994%0.93978%0.778SS**  trans-87.592.8167.2-71.784.4000108.8S230S230-W232 VanDerWaalsContact O-CD1 3.3Å; S230-W232 PolarHBondContact O-N 3.28Å; S230-W232 VanDerWaalsContact O-N 3.17Å
233G26.6Very low26.5Very low77 Ų77139.2 Ų139.279%0.79478%0.782SS**  trans-77.7169.8175.100000113.8S231S231-G233 PolarHBondContact O-N 3.14Å
234G24.2Very low26.5Very low72 Ų72139.4 Ų139.474%0.74279%0.79SS**  trans124.269.5157.100000115.5
235R28.9Very low26.3Very low250 Ų250139 Ų13994%0.94378%0.781SS**  -159.6117.8128-106.1174.4-146.2-154.35.7110.1
236D25.8Very low26.1Very low147 Ų147142.7 Ų142.779%0.78679%0.793SS**  trans-55.8159.2-179.5-58.6-67.9000113.7
237T25.7Very low26Very low132 Ų132144.7 Ų144.781%0.8180%0.798SS**  trans100.4123.6158.165.20000117.9
238D25Very low26Very low145 Ų145141.6 Ų141.678%0.77580%0.798SS**  trans84.171.9171.7-55.6-11.7000118.3
239S23.1Very low25.9Very low109 Ų109139.8 Ų139.876%0.76279%0.794SS**  trans16.3106.6130.460.90000117.4
240C24.9Very low25.9Very low128 Ų128135.8 Ų135.887%0.86579%0.788SS**  trans-148.4113135.9-117.60000109.2
241C23.5Very low25.9Very low120 Ų120140 Ų14081%0.81180%0.798SS**  trans-58.3134.4172.1-58.30000110.2
242I24.4Very low26Very low169 Ų169142.7 Ų142.787%0.86780%0.802SS**  trans-121.990.4151.4-55.9178.9000105.6
243C23.4Very low25.8Very low101 Ų101135.6 Ų135.668%0.68279%0.79SS**  trans-116.8146157.5-67.40000107
244D24.2Very low25.8Very low150 Ų150136.3 Ų136.380%0.80278%0.783SS**  trans77.3125.9167.2-48.1-23.6000114.2
245S25.7Very low25.8Very low93 Ų93142.6 Ų142.665%0.6579%0.79SS**  cis-153.8119.925.3-49.90000110E247S245-E247 PolarHBondContact O-N 2.8Å; S245-E247 VanDerWaalsContact O-N 3.14Å
246L24.6Very low25.7Very low170 Ų170135.4 Ų135.489%0.8978%0.778SS**  trans-80.275.2160.7-128.2150.2000106.1T248L246-T248 PolarHBondContact O-N 3.24Å
247E27.4Very low26.1Very low173 Ų173135.9 Ų135.981%0.80878%0.775SS**  trans-92.691.9169.3-82.8-176.1167.400108.7S245 D249S245-E247 PolarHBondContact O-N 2.8Å; S245-E247 VanDerWaalsContact O-N 3.14Å; E247-D249 PolarHBondContact O-N 3.35Å
248T27.4Very low26.3Very low114 Ų114142.3 Ų142.370%0.69979%0.785SS**  trans-62.5110.4151.541.30000109.1L246L246-T248 PolarHBondContact O-N 3.24Å
249D27.5Very low26.4Very low151 Ų151139 Ų13981%0.80778%0.777SS**  trans-171.5141.4156.2-96-31.6000106.2E247E247-D249 PolarHBondContact O-N 3.35Å
250S27.6Very low26.7Very low92 Ų92136 Ų13664%0.64377%0.765SS**  cis-170.1141-8.1-114.20000102.4
251E25.9Very low27Very low181 Ų181136.7 Ų136.785%0.84676%0.758SS**  trans28.3125.2152.2-56.3-173.3156.900120.1
252L29.3Very low27.4Very low175 Ų175139.8 Ų139.892%0.91676%0.76SS**  trans149.5133.3145.3-80.9163.1000107.1
253S27.5Very low27.9Very low98 Ų98139.2 Ų139.269%0.68575%0.754SS**  cis-164138.5-8.71580000104.1
254S24.9Very low28.4Very low93 Ų93138.7 Ų138.765%0.6574%0.744SS**  trans-29.2146.5164.454.50000117.5
255K25Very low28.8Very low203 Ų203137.8 Ų137.888%0.88374%0.738SS**  trans74.4101.9150.3-68172.3178.7178.80118.5
256S27.5Very low29.1Very low99 Ų99142 Ų14269%0.69275%0.747SS**  trans151.8135.7148.6142.80000105.5
257E34.4Very low29.4Very low158 Ų158141.5 Ų141.574%0.73875%0.745SS**  cis-155.3132.54.6-114.2157.3143.500107A259E257-A259 HydrophobicContact CB-CB 4.28Å; E257-A259 HydrophobicContact CG-CB 4.45Å; E257-A259 PolarHBondContact O-N 3.22Å
258R29.7Very low29.4Very low266 Ų266136.7 Ų136.7100%1.00473%0.734SS**SBendtrans-78.637.7170.6-153.6175.4-175.8174.70.5109.7
259A27.2Very low29.4Very low75 Ų75139 Ų13962%0.6274%0.742SS**  trans-142.6117.4-171.900000108.1E257E257-A259 HydrophobicContact CB-CB 4.28Å; E257-A259 HydrophobicContact CG-CB 4.45Å; E257-A259 PolarHBondContact O-N 3.22Å
260G28.8Very low29.3Very low48 Ų48138 Ų13850%0.49575%0.746SS.*SBendtrans165.5-13.3179.400000115.3
261I30Very low29.3Very low142 Ų142139.2 Ų139.273%0.72875%0.752SS**SBendtrans-107.1-15.8178.3-58.9177.9000112.2
262E33.9Very low29.3Very low184 Ų184135.4 Ų135.486%0.8675%0.751SS**SBendtrans-85.8-14.8178.2-79.4177.4154.800114.8
263E33Very low29.4Very low157 Ų157135.4 Ų135.473%0.73475%0.747SS**SBendtrans-97.3-6.6-173.1-153173.5-175.900114.6
264I35.1Very low29.3Very low91 Ų91138.5 Ų138.547%0.46776%0.755SS.*SBendtrans-91-3.4-175.5-61.9169.2000112.2
265L31.5Very low29.6Very low130 Ų130143.1 Ų143.168%0.68176%0.763SS**SBendtrans-113.61-175.3-82.1164.2000116.2
266E33.7Very low29.6Very low181 Ų181139.6 Ų139.685%0.84676%0.759SS**SBendtrans-96.1-3.7174.2-73.8-168.8154.100114.4
267L29.9Very low30Very low161 Ų161143.9 Ų143.984%0.84377%0.768SS**SBendtrans-97.411.7-174-78.8164.4000115.6
268A28Very low29.8Very low71 Ų71143.3 Ų143.359%0.58777%0.77SS**SBendtrans-141.5101.9176.300000111.8
269N27.6Very low29.8Very low162 Ų162141.9 Ų141.987%0.86677%0.766SS**  trans104.676.5168.7-53.1-46.6000117
270C24.3Very low29.9Very low132 Ų132142.8 Ų142.889%0.89277%0.768SS**  trans-103.6118.1145.3-90.30000108.8
271P27.7Very low30.1Very low117 Ų117146.7 Ų146.776%0.7678%0.777SS**  trans-71.4132.5171.328.5-29.3000109.6E273P271-E273 PolarHBondContact O-N 3.26Å; P271-E273 VanDerWaalsContact O-N 3.13Å
272A25.3Very low30.1Very low101 Ų101145.3 Ų145.384%0.83578%0.776SS**  trans-64.3107.2172.500000110.4
273E31.8Very low30Very low174 Ų174141.6 Ų141.681%0.81377%0.765SS**  trans-104.7103.8156.5-76.7-160.3169.900109.6P271 K275P271-E273 PolarHBondContact O-N 3.26Å; P271-E273 VanDerWaalsContact O-N 3.13Å; E273-K275 PolarHBondContact O-N 2.91Å
274L25.3Very low30.1Very low163 Ų163142.9 Ų142.985%0.85377%0.772SS**  trans-58111161.4-79.9149.1000109.9
275K31.8Very low30Very low191 Ų191148.9 Ų148.983%0.8379%0.788SS**  trans-136.4102.7148.1-75.1-171-179.3167.20110E273E273-K275 PolarHBondContact O-N 2.91Å
276T25.6Very low30.3Very low129 Ų129148 Ų14879%0.79179%0.79SS**  trans-49.4131.7156.7380000111.1
277E34.7Very low30.3Very low188 Ų188146 Ų14688%0.87979%0.786SS**  -167.2142.5129.2-106.7171.5-163.700111.7
278N29.8Very low30.7Very low146 Ų146142.9 Ų142.978%0.78178%0.783SS**  trans-54.1152.7-172.1-62-57.3000114.6
279Y30.9Very low31.3Very low237 Ų237149.3 Ų149.393%0.92980%0.798SS**  -164.9126.7117.8-104.8-76.3000110.7
280S28.7Very low31.5Very low93 Ų93151.3 Ų151.365%0.6580%0.802SS**  trans-78.2154.9177.8640000112.3
281N32.6Very low32.1Very low131 Ų131148.4 Ų148.470%0.70179%0.794SS**  166.1114.4115.8-104.38.6000110.8
282T31.2Very low32.4Very low113 Ų113149.5 Ų149.569%0.69379%0.794SS**  66.5130106.9530000113.5
283T31.2Very low32.9Very low105 Ų105150.7 Ų150.764%0.64479%0.786SS**  cis174.5141.626.3-85.50000103.5
284E35.3Very low33.1Very low185 Ų185149.1 Ų149.186%0.86479%0.789SS**  163.3147.678.6-137150.4-13800107.5
285R33.7Very low33.5Very low216 Ų216150.3 Ų150.382%0.81579%0.79SS**  trans-110.2155.9170.2-156.7-166.7179.1170.2-0.7107.3
286P38Very low33.7Very low112 Ų112152.2 Ų152.273%0.72779%0.792SS**  -154.6155.996.134.7-13.6000117.5
287D32.3Very low33.9Very low140 Ų140153.3 Ų153.375%0.74979%0.793SS**  trans43.2119.8141.9-61.3-34.9000124.1
288A38.2Very low33.9Very low95 Ų95151 Ų15179%0.78579%0.785SS**  trans-161107.2131.600000113.3
289K40.5Very low34.1Very low205 Ų205150.1 Ų150.189%0.89179%0.785SS**  trans56.597.2132.3-62.2-176.9178.1-179.50121.4
290Q33.1Very low34.3Very low204 Ų204143.5 Ų143.595%0.95377%0.771SS**  15.9125116.3-156.8169.611.200119.9
291G35.6Very low34.5Very low71 Ų71143.5 Ų143.573%0.73277%0.771SS**  trans171.685.8164.800000108.9
292D35.8Very low34.4Very low141 Ų141147.6 Ų147.675%0.75478%0.783SS**  79.8115.183.9-148.431.9000114.1
293N35.6Very low34.3Very low126 Ų126146.8 Ų146.867%0.67479%0.787SS**  trans57.9111.2155.5-56.6-32000121.5
294T35.3Very low34.4Very low141 Ų141146.6 Ų146.687%0.86580%0.797SS**  -170.1124.2104.970000112.4
295E33.5Very low34.4Very low188 Ų188147.4 Ų147.488%0.87980%0.8SS**  trans-50.9134158.9-73.9164.913000111
296R36.2Very low34.4Very low230 Ų230145.7 Ų145.787%0.86880%0.802SS**  trans-138.295.4150.1-85.3-167.3175.5170.4-1109.6I298R296-I298 PolarHBondContact O-N 2.91Å
297D29.6Very low34.1Very low153 Ų153150.8 Ų150.882%0.81881%0.813SS**  trans-52.5121.6151.2-112.4-31.4000109.4
298I35.5Very low34Very low138 Ų138151.8 Ų151.871%0.70882%0.817SS**  trans-134.888.7160.5-56.7178.9000106.7R296 P300R296-I298 PolarHBondContact O-N 2.91Å; I298-P300 HydrophobicContact CG2-CG 4.3Å
299T34.1Very low33.7Very low129 Ų129155.2 Ų155.279%0.79182%0.822SS**  trans-113.8119.2151.9-30.70000106.8
300P33.5Very low33.4Very low97 Ų97154.7 Ų154.763%0.6382%0.822SS**  trans-131.7126.3151.3165.6000112.6I298I298-P300 HydrophobicContact CG2-CG 4.3Å
301S32.9Very low33.4Very low93 Ų93154.5 Ų154.565%0.6582%0.821SS**  trans47.1116.8139.464.40000118.8A303S301-A303 PolarHBondContact O-N 2.75Å
302K30.9Very low33.1Very low218 Ų218156.3 Ų156.395%0.94882%0.823SS**  40.774.592.1-81.9-168.1172.7-172.10112.5
303A29.8Very low33Very low95 Ų95158.4 Ų158.479%0.78583%0.828SS**  trans-158.688.7165.100000108.3S301S301-A303 PolarHBondContact O-N 2.75Å
304A33Very low32.9Very low102 Ų102157.9 Ų157.984%0.84383%0.834SS**SBendtrans-179.7-5.2161.500000112.5E306A304-E306 PolarHBondContact O-N 2.81Å
305E34.5Very low32.9Very low201 Ų201160.1 Ų160.194%0.93984%0.835SS**  trans-92.269.9166-72.7-175157.500110.3
306E34Very low32.9Very low181 Ų181161 Ų16185%0.84684%0.836SS**  trans-161.474.2166.3-147.1169.4-156.500109.6A304A304-E306 PolarHBondContact O-N 2.81Å
307F31.3Very low32.8Very low219 Ų219155.8 Ų155.896%0.96183%0.834SS**  trans-150.769.8161.7-122.1-86.3000108.5
308L30.4Very low32.8Very low160 Ų160155 Ų15584%0.83884%0.836SS**  trans-134132.2164.8-80.4174.3000107.2
309L32.9Very low32.7Very low168 Ų168153 Ų15388%0.8884%0.84SS**  trans87.694.9164.6-61.8152000118.2
310E33.2Very low32.5Very low194 Ų194152.5 Ų152.591%0.90784%0.841SS**  trans177.3104.8139.9-101.1177.5173.600103.6
311E34.6Very low32.4Very low200 Ų200152.5 Ų152.594%0.93584%0.843SS**  -150.712672.8-76.1174.211900110.3
312S29.4Very low32.3Very low109 Ų109156.1 Ų156.176%0.76285%0.85SS**  trans-129118.9159480000106.1
313E32.2Very low32.4Very low184 Ų184157.6 Ų157.686%0.8685%0.85SS**  trans151.3137141.2-81.2-173.4168.600113.6
314S33.6Very low32.5Very low116 Ų116161.6 Ų161.681%0.81185%0.852SS**  trans74.2128.7173.586.30000114.8
315E35.7Very low32.4Very low187 Ų187164 Ų16487%0.87485%0.851SS**  cis-141.4146.237.3-70.3178.6133.300113
316K33.1Very low32.2Very low208 Ų208160.1 Ų160.190%0.90485%0.846SS**  trans-93.1111.6173.2-163.3179.9-168.1178.10106.3
317S33.9Very low31.9Very low119 Ų119159.4 Ų159.483%0.83284%0.843SS**  trans-138.1114.2163.2-162.90000111.1
318T30.7Very low31.8Very low138 Ų138155.3 Ų155.385%0.84784%0.836SS**  trans-77.6128.6176.426.30000112.1
319A32.5Very low31.9Very low96 Ų96152.9 Ų152.979%0.79383%0.827SS**  trans-162.794.7145.800000106.8
320S30.7Very low31.8Very low117 Ų117149.9 Ų149.982%0.81882%0.82SS**  75.8124.781.3-170.80000114.3
321S30.3Very low31.7Very low97 Ų97151.1 Ų151.168%0.67882%0.818SS**  trans68130.8168.2-120.80000115
322E31.6Very low31.8Very low169 Ų169147.5 Ų147.579%0.7981%0.81SS**  cis-154.3119.321.9-108.9135.2-138.900106.8
323W33.6Very low31.8Very low249 Ų249148.2 Ų148.294%0.94382%0.815SS**  trans-92.3154.2154.3-63-3.8000106.4
324E31.5Very low32.1Very low179 Ų179143.9 Ų143.984%0.83681%0.81SS**  trans74.8100.4175.1-53.8-177139.500116.5
325N31.4Very low32.3Very low153 Ų153147.6 Ų147.682%0.81882%0.815SS**  -168.2117.6114.1-102.2-26.6000112.6Q327N325-Q327 PolarHBondContact O-N 3.24Å
326S29Very low32.7Very low119 Ų119144.4 Ų144.483%0.83281%0.814SS**  trans-61.6121.7153.5-56.10000109
327Q29Very low33.1Very low166 Ų166142.8 Ų142.878%0.77681%0.809SS**  trans-138.2104.2157.1-90.1-171.1-1200110.4N325 V329N325-Q327 PolarHBondContact O-N 3.24Å; Q327-V329 PolarHBondContact O-N 3.35Å
328T28.3Very low33.4Very low134 Ų134143.7 Ų143.782%0.82281%0.805SS**  trans-48.7124.1149.6-12.10000108.8
329V32.9Very low34.2Very low108 Ų108149.3 Ų149.366%0.65581%0.81SS**  trans-114.5101.9167.9-1800000107.9Q327 Y331Q327-V329 PolarHBondContact O-N 3.35Å; V329-Y331 HydrophobicContact CG1-CD2 3.7Å; V329-Y331 HydrophobicContact CG1-CE2 4.15Å
330S30Very low35.1Very low105 Ų105152.3 Ų152.373%0.73481%0.808SS**  trans-87.8128.5159.9-50.10000107.5
331Y31.8Very low36.1Very low221 Ų221161.8 Ų161.887%0.86783%0.826SS**  trans-113.2116.8167.6-113.5-91.5000108.7V329V329-Y331 HydrophobicContact CG1-CD2 3.7Å; V329-Y331 HydrophobicContact CG1-CE2 4.15Å
332T36.5Very low36.4Very low124 Ų124165 Ų16576%0.76183%0.833SS**  trans-120.1134.1168.241.30000109.4
333S30.4Very low36.6Very low124 Ų124164.8 Ų164.887%0.86784%0.836SS**  trans57.2115.6152.6-68.10000121.6
334A36.9Very low36.8Very low92 Ų92160.1 Ų160.176%0.7683%0.83SS**  trans-163.4101.5131.300000106
335E37.7Very low37.1Very low194 Ų194159 Ų15991%0.90783%0.829SS**  44.7104.5101.8-75.2-173.715300113.9
336S44.7Very low37.5Very low121 Ų121159.4 Ų159.485%0.84683%0.83SS**  trans-145.1109.2147.562.20000107.5
337E41.6Very low38Very low174 Ų174162.1 Ų162.181%0.81383%0.83SS**  trans-63.4173.5173.7-66.7174.3127.800112.3
338D41Very low38.7Very low137 Ų137161.8 Ų161.873%0.73383%0.834SS**  trans86.295.4157.6-58.6-24.4000119.3
339R46.6Very low39.5Very low256 Ų256163.9 Ų163.997%0.96684%0.835SS**  -148.5114.9121-115176.7-175.7-176.81.2111.4
340E52.6Low40Very low160 Ų160168.6 Ų168.675%0.74885%0.85SS**  trans-73.7164.4-177.9-61.2178.7128.300114.7
341W50.3Low40.9Very low315 Ų315174.4 Ų174.4100%1.19386%0.86SS**  trans86.90169.1-64.880.8000118.5

Retrieved 341 of 341 residues in 220.5 ms (Link to these results)

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