A0A1S3KK65_SALSA Loading...

Transcription factor Sox-14

AlphaFold DB , UniProt , Accession A0A1S3KK65, Species SALSA (Salmo salar, Atlantic salmon), Gene sox14, Length 235 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low78.8Confident237 Ų237131.5 Ų131.5100%1.16767%0.673SS**  083.50-56.7-44.3179.500110.6
2S58.4Low80.4Confident118 Ų118125 Ų12583%0.82564%0.64SS**PPolyproline II helixtrans-60.3157.915834.30000109.6
3K64Low81.7Confident173 Ų173122.5 Ų122.575%0.75263%0.629SS**PPolyproline II helixtrans-78144166.1-66.6171.4-175.5168.50107.7
4P68.6Low82.9Confident92 Ų92114.9 Ų114.960%0.59759%0.593SS**PPolyproline II helixtrans-56.8142.3169.626.2-33.9000109.3D6 H7P4-D6 PolarHBondContact O-N 3.49Å; P4-H7 PolarHBondContact O-N 3.03Å
5V71Confident83.9Confident144 Ų144110.1 Ų110.187%0.87357%0.566SS**THydrogen-bonded Turntrans-61.7-33.6-173.1-178.80000110.6H7V5-H7 PolarHBondContact O-N 3.1Å; V5-H7 VanDerWaalsContact O-N 3.12Å
6D84.6Confident84.8Confident139 Ų139108.9 Ų108.974%0.74356%0.558SS**THydrogen-bonded Turntrans-75.55.1-174.9-32.6-78.3000113.8P4 I8P4-D6 PolarHBondContact O-N 3.49Å; D6-I8 PolarHBondContact O-N 3.01Å
7H89.1Confident85.6Confident114 Ų114103.9 Ų103.953%0.52853%0.534SS..  trans-73.291.3177.8-17950000112.2P4 V5 K9P4-H7 PolarHBondContact O-N 3.03Å; V5-H7 PolarHBondContact O-N 3.1Å; V5-H7 VanDerWaalsContact O-N 3.12Å; H7-K9 PolarHBondContact O-N 3.26Å; H7-K9 VanDerWaalsContact O-N 3.1Å
8I93.2Very high86.3Confident61 Ų6198.8 Ų98.831%0.31351%0.507SS..  trans-51.9113.9172.6-58.6168.2000110.5D6 H68 H72 Y75D6-I8 PolarHBondContact O-N 3.01Å; I8-H68 VanDerWaalsContact CG2-CE1 3.42Å; I8-H68 WeakPolarHBondContact CG2-CE1 3.42Å; I8-H72 HydrophobicContact CD1-CB 4.23Å; I8-H72 WeakPolarHBondContact CG2-CD2 3.17Å; I8-Y75 HydrophobicContact CB-CD2 3.91Å; I8-Y75 HydrophobicContact CB-CE2 3.89Å; I8-Y75 HydrophobicContact CD1-CD2 4.44Å; I8-Y75 HydrophobicContact CG2-CD2 3.39Å; I8-Y75 HydrophobicContact CG2-CE2 3.49Å; I8-Y75 VanDerWaalsContact CG2-CE2 3.49Å; I8-Y75 HydrophobicContact CG2-CG 4.36Å
9K94.7Very high86.9Confident171 Ų17193.6 Ų93.674%0.74348%0.48SS*.PPolyproline II helixtrans-79.5147.6178.2-63.4170.4-172161.40109.9H7 H68H7-K9 PolarHBondContact O-N 3.26Å; H7-K9 VanDerWaalsContact O-N 3.1Å; K9-H68 PolarHBondContact O-CE1 3.27Å
10R97Very high87.4Confident152 Ų15297.4 Ų97.457%0.57449%0.488SS*.PPolyproline II helixtrans-59.4148.8174-55.1179.5-152.5-1586.9111.2Y75 Y77R10-Y75 WeakPolarHBondContact CG-OH 2.77Å; R10-Y77 VanDerWaalsContact CZ-CZ 3.46Å; R10-Y77 PolarHBondContact NH1-OH 3.26Å; R10-Y77 VanDerWaalsContact NH1-OH 3.15Å; R10-Y77 PolarHBondContact NH2-OH 3.31Å; R10-Y77 VanDerWaalsContact NH2-OH 3.07Å
11P97.5Very high87.8Confident45 Ų4594.3 Ų94.329%0.29248%0.481SS..PPolyproline II helixtrans-64.2154.6166.929-33.2000110.4R65 H68P11-R65 HydrophobicContact CG-CB 4.48Å; P11-H68 HydrophobicContact CB-CB 4.04Å; P11-H68 HydrophobicContact CG-CB 4.24Å
12M97.9Very high90.1Very high54 Ų5485.9 Ų85.927%0.26644%0.439SS..PPolyproline II helixtrans-76.5136.9178.6-64.4-173.9-63.200110.5M16 V17 R20 L64M12-M16 HydrophobicContact CB-CB 3.93Å; M12-M16 HydrophobicContact CG-CB 4.26Å; M12-V17 HydrophobicContact CB-CG2 3.83Å; M12-V17 HydrophobicContact CE-CG2 4.36Å; M12-R20 PolarHBondContact SD-NH2 3.38Å; M12-L64 HydrophobicContact CB-CD1 4.41Å; M12-L64 HydrophobicContact CE-CD1 3.97Å
13N98.3Very high91.9Very high93 Ų9382.9 Ų82.950%0.49741%0.409SS..PPolyproline II helixtrans-82.1170.7167.372.38.5000110.7F15 M16 V17N13-F15 VanDerWaalsContact C-N 3.33Å; N13-F15 PolarHBondContact O-N 3.48Å; N13-M16 CarbonylContact O-C 3.54Å; N13-M16 WeakPolarHBondContact O-CA 3.42Å; N13-M16 PolarHBondContact O-N 2.85Å; N13-M16 WeakPolarHBondContact OD1-CB 3.3Å; N13-M16 WeakPolarHBondContact OD1-CG 3.45Å; N13-M16 PolarHBondContact OD1-N 2.88Å; N13-V17 WeakPolarHBondContact O-CG2 3.2Å; N13-V17 PolarHBondContact O-N 3.1Å
14A97.9Very high93.5Very high15 Ų1584 Ų8412%0.12441%0.409CS..Hα-helixtrans-51.3-47.5-174.400000113.6M16 V17 W18 W46 Y57 I58 A61A14-M16 VanDerWaalsContact C-N 3.34Å; A14-M16 PolarHBondContact O-N 3.05Å; A14-V17 PolarHBondContact O-N 3.34Å; A14-W18 WeakPolarHBondContact O-CB 3.38Å; A14-W18 PolarHBondContact O-N 3.41Å; A14-W46 HydrophobicContact CB-CH2 3.87Å; A14-W46 HydrophobicContact CB-CZ2 3.85Å; A14-Y57 WeakPolarHBondContact CA-O 3.34Å; A14-Y57 WeakPolarHBondContact CB-O 3.3Å; A14-I58 HydrophobicContact CB-CB 4.44Å; A14-I58 HydrophobicContact CB-CG1 3.77Å; A14-A61 HydrophobicContact CB-CB 4.26Å; A14-A61 VanDerWaalsContact N-CB 3.33Å
15F98.2Very high94.8Very high44 Ų4485.1 Ų85.119%0.19341%0.405CS..Hα-helixtrans-61.6-37.5175.5173.5-101.2000113.1N13 W18 S19 L42 W46N13-F15 VanDerWaalsContact C-N 3.33Å; N13-F15 PolarHBondContact O-N 3.48Å; F15-W18 AromaticContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CZ3 4.12Å; F15-W18 HydrophobicContact CE2-CE3 4.13Å; F15-W18 AromaticContact CE2-CZ3 3.84Å; F15-W18 HydrophobicContact CE2-CZ3 3.84Å; F15-S19 WeakPolarHBondContact O-CA 3.18Å; F15-S19 WeakPolarHBondContact O-CB 3.44Å; F15-S19 PolarHBondContact O-N 2.9Å; F15-S19 PolarHBondContact O-OG 3.09Å; F15-L42 HydrophobicContact CE2-CB 4.42Å; F15-L42 HydrophobicContact CZ-CB 4.47Å; F15-W46 HydrophobicContact CB-CD2 4.35Å; F15-W46 HydrophobicContact CD2-CB 3.72Å; F15-W46 AromaticContact CD2-CD1 3.91Å; F15-W46 AromaticContact CD2-CD2 3.98Å; F15-W46 HydrophobicContact CD2-CD2 3.98Å; F15-W46 AromaticContact CD2-CG 3.55Å; F15-W46 HydrophobicContact CD2-CG 3.55Å; F15-W46 HydrophobicContact CE2-CB 3.95Å; F15-W46 HydrophobicContact CE2-CG 4.28Å; F15-W46 HydrophobicContact CG-CG 4.49Å
16M98.1Very high96Very high90 Ų9079.4 Ų79.444%0.44337%0.369SS..Hα-helixtrans-74.3-28.5177.6-68.7-67.7173.400112.8M12 N13 A14 R20M12-M16 HydrophobicContact CB-CB 3.93Å; M12-M16 HydrophobicContact CG-CB 4.26Å; N13-M16 CarbonylContact O-C 3.54Å; N13-M16 WeakPolarHBondContact O-CA 3.42Å; N13-M16 PolarHBondContact O-N 2.85Å; N13-M16 WeakPolarHBondContact OD1-CB 3.3Å; N13-M16 WeakPolarHBondContact OD1-CG 3.45Å; N13-M16 PolarHBondContact OD1-N 2.88Å; A14-M16 VanDerWaalsContact C-N 3.34Å; A14-M16 PolarHBondContact O-N 3.05Å; M16-R20 PolarHBondContact O-N 3.25Å
17V98.1Very high96.5Very high25 Ų2574.9 Ų74.915%0.15235%0.35CS..Hα-helixtrans-67.2-58.2169.4179.20000109.6M12 N13 A14 R20 Y57 E60 A61 L64M12-V17 HydrophobicContact CB-CG2 3.83Å; M12-V17 HydrophobicContact CE-CG2 4.36Å; N13-V17 WeakPolarHBondContact O-CG2 3.2Å; N13-V17 PolarHBondContact O-N 3.1Å; A14-V17 PolarHBondContact O-N 3.34Å; V17-R20 WeakPolarHBondContact O-CB 3.46Å; V17-R20 PolarHBondContact O-N 3Å; V17-Y57 HydrophobicContact CG1-CD1 4.14Å; V17-E60 HydrophobicContact CG1-CB 4.35Å; V17-E60 HydrophobicContact CG1-CG 3.76Å; V17-E60 HydrophobicContact CG2-CG 4.39Å; V17-A61 HydrophobicContact CG2-CB 4.32Å; V17-L64 HydrophobicContact CG2-CD1 3.75Å
18W98Very high96.8Very high12 Ų1277 Ų775%0.04536%0.361CS..Hα-helixtrans-58.3-51.8-179.6171.886000112.7A14 F15 R20 G21 Q22 L42 E45 W46 L49 Y57A14-W18 WeakPolarHBondContact O-CB 3.38Å; A14-W18 PolarHBondContact O-N 3.41Å; F15-W18 AromaticContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CE3 3.99Å; F15-W18 HydrophobicContact CD2-CZ3 4.12Å; F15-W18 HydrophobicContact CE2-CE3 4.13Å; F15-W18 AromaticContact CE2-CZ3 3.84Å; F15-W18 HydrophobicContact CE2-CZ3 3.84Å; W18-R20 PolarHBondContact O-N 3.25Å; W18-R20 VanDerWaalsContact O-N 3.13Å; W18-G21 PolarHBondContact O-N 3.34Å; W18-G21 VanDerWaalsContact O-N 3.16Å; W18-Q22 HydrophobicContact CD2-CG 4.19Å; W18-Q22 HydrophobicContact CH2-CG 4.4Å; W18-Q22 HydrophobicContact CZ2-CG 3.83Å; W18-Q22 PolarHBondContact O-N 3.14Å; W18-L42 HydrophobicContact CH2-CB 4.19Å; W18-L42 HydrophobicContact CH2-CD2 3.68Å; W18-L42 WeakPolarHBondContact CH2-O 3.35Å; W18-L42 HydrophobicContact CZ3-CB 3.89Å; W18-L42 HydrophobicContact CZ3-CD2 3.92Å; W18-L42 HydrophobicContact CZ3-CG 4.48Å; W18-L42 VanDerWaalsContact CZ3-O 3.28Å; W18-L42 WeakPolarHBondContact CZ3-O 3.44Å; W18-E45 HydrophobicContact CH2-CB 3.82Å; W18-E45 HydrophobicContact CZ2-CB 4.22Å; W18-W46 HydrophobicContact CB-CE3 4.02Å; W18-W46 HydrophobicContact CB-CZ3 3.62Å; W18-W46 AromaticContact CD2-CE3 3.54Å; W18-W46 HydrophobicContact CD2-CE3 3.54Å; W18-W46 HydrophobicContact CD2-CZ3 4.01Å; W18-W46 HydrophobicContact CE3-CB 4.22Å; W18-W46 HydrophobicContact CE3-CD2 4.33Å; W18-W46 AromaticContact CE3-CE3 3.66Å; W18-W46 HydrophobicContact CE3-CE3 3.66Å; W18-W46 HydrophobicContact CE3-CZ3 4.44Å; W18-W46 AromaticContact CG-CE3 3.7Å; W18-W46 HydrophobicContact CG-CE3 3.7Å; W18-W46 AromaticContact CG-CZ3 3.63Å; W18-W46 HydrophobicContact CG-CZ3 3.63Å; W18-W46 HydrophobicContact CH2-CB 4.19Å; W18-W46 HydrophobicContact CZ3-CB 3.81Å; W18-W46 HydrophobicContact CZ3-CE3 4.35Å; W18-L49 HydrophobicContact CZ2-CD1 4.16Å; W18-L49 HydrophobicContact CZ2-CD2 4.45Å; W18-Y57 HydrophobicContact CB-CD1 3.78Å; W18-Y57 HydrophobicContact CB-CD2 4.2Å; W18-Y57 HydrophobicContact CB-CE1 4.19Å; W18-Y57 HydrophobicContact CB-CG 3.78Å; W18-Y57 AromaticContact CD1-CD2 3.89Å; W18-Y57 AromaticContact CD1-CE2 3.56Å; W18-Y57 AromaticContact CD1-CZ 3.65Å; W18-Y57 HydrophobicContact CG-CD2 4.4Å; W18-Y57 HydrophobicContact CG-CE2 4.44Å; W18-Y57 HydrophobicContact CG-CG 4.44Å
19S97.8Very high96.9Very high0 Ų079.4 Ų79.40%037%0.371CS..Hα-helixtrans-68.9-12.7-176.571.50000113.5F15 R23F15-S19 WeakPolarHBondContact O-CA 3.18Å; F15-S19 WeakPolarHBondContact O-CB 3.44Å; F15-S19 PolarHBondContact O-N 2.9Å; F15-S19 PolarHBondContact O-OG 3.09Å; S19-R23 WeakPolarHBondContact O-CB 2.97Å; S19-R23 PolarHBondContact O-N 3.22Å; S19-R23 PolarHBondContact O-NH1 3.14Å; S19-R23 PolarHBondContact OG-NH1 3.29Å
20R96.9Very high96.6Very high168 Ų16874.6 Ų74.663%0.63435%0.353SS*.Hα-helixtrans-62.6-45171.1179.8-175-80.3-150.1-2.4110.8M12 M16 V17 W18M12-R20 PolarHBondContact SD-NH2 3.38Å; M16-R20 PolarHBondContact O-N 3.25Å; V17-R20 WeakPolarHBondContact O-CB 3.46Å; V17-R20 PolarHBondContact O-N 3Å; W18-R20 PolarHBondContact O-N 3.25Å; W18-R20 VanDerWaalsContact O-N 3.13Å
21G95.9Very high96.4Very high33 Ų3372.6 Ų72.634%0.3436%0.36SS..Hα-helixtrans-69.2-54.117800000111.8W18 R23 R24 K25W18-G21 PolarHBondContact O-N 3.34Å; W18-G21 VanDerWaalsContact O-N 3.16Å; G21-R23 PolarHBondContact O-N 3.16Å; G21-R24 WeakPolarHBondContact O-CB 3.41Å; G21-R24 PolarHBondContact O-N 2.93Å; G21-R24 VanDerWaalsContact O-N 3.1Å; G21-K25 PolarHBondContact O-N 3.13Å; G21-K25 VanDerWaalsContact O-N 3.14Å
22Q96.9Very high96.1Very high61 Ų6180.7 Ų80.729%0.28539%0.39SS..Hα-helixtrans-67.4-35.1-173.5-54.8-57.9-4.600113.2W18 R24 K25 M26 L42W18-Q22 HydrophobicContact CD2-CG 4.19Å; W18-Q22 HydrophobicContact CH2-CG 4.4Å; W18-Q22 HydrophobicContact CZ2-CG 3.83Å; W18-Q22 PolarHBondContact O-N 3.14Å; Q22-R24 VanDerWaalsContact C-N 3.27Å; Q22-R24 PolarHBondContact O-N 3.01Å; Q22-K25 PolarHBondContact O-N 3.03Å; Q22-M26 PolarHBondContact O-N 3.33Å; Q22-L42 HydrophobicContact CB-CD2 3.36Å; Q22-L42 HydrophobicContact CG-CD2 4.38Å
23R97.1Very high95.9Very high54 Ų5480 Ų8020%0.20439%0.387CS..Hα-helixtrans-60-35.9172.2179.6-176.7-7798.7-2112.6S19 G21 A27 I38 S39 L42S19-R23 WeakPolarHBondContact O-CB 2.97Å; S19-R23 PolarHBondContact O-N 3.22Å; S19-R23 PolarHBondContact O-NH1 3.14Å; S19-R23 PolarHBondContact OG-NH1 3.29Å; G21-R23 PolarHBondContact O-N 3.16Å; R23-A27 WeakPolarHBondContact O-CB 3.49Å; R23-A27 PolarHBondContact O-N 3.43Å; R23-A27 VanDerWaalsContact O-N 3.09Å; R23-I38 HydrophobicContact CB-CG2 4.32Å; R23-I38 HydrophobicContact CG-CG2 4.03Å; R23-S39 PolarHBondContact NH2-OG 3.43Å; R23-S39 VanDerWaalsContact NH2-OG 3.13Å; R23-L42 HydrophobicContact CB-CD1 3.75Å
24R96.7Very high95.8Very high197 Ų19782.3 Ų82.374%0.74339%0.394SS*.Hα-helixtrans-70.7-42.5176.3-176.8175.163.3-177.41111G21 Q22 A27 Q28G21-R24 WeakPolarHBondContact O-CB 3.41Å; G21-R24 PolarHBondContact O-N 2.93Å; G21-R24 VanDerWaalsContact O-N 3.1Å; Q22-R24 VanDerWaalsContact C-N 3.27Å; Q22-R24 PolarHBondContact O-N 3.01Å; R24-A27 PolarHBondContact O-N 3.42Å; R24-Q28 PolarHBondContact O-N 3.13Å; R24-Q28 VanDerWaalsContact O-N 3.1Å
25K96.4Very high95.6Very high116 Ų11685.2 Ų85.250%0.50441%0.408SS..Hα-helixtrans-58.1-57.4174.2179-179.9170.8-176.70111.1G21 Q22 A27 Q28 E29G21-K25 PolarHBondContact O-N 3.13Å; G21-K25 VanDerWaalsContact O-N 3.14Å; Q22-K25 PolarHBondContact O-N 3.03Å; K25-A27 VanDerWaalsContact C-N 3.3Å; K25-A27 PolarHBondContact O-N 3.03Å; K25-Q28 WeakPolarHBondContact O-CB 3.47Å; K25-Q28 PolarHBondContact O-N 2.96Å; K25-E29 WeakPolarHBondContact CE-OE1 3.49Å; K25-E29 WeakPolarHBondContact CG-OE1 3.39Å; K25-E29 IonicContact NZ-OE1 3.84Å; K25-E29 WeakPolarHBondContact O-CG 2.95Å; K25-E29 PolarHBondContact O-N 3.26Å
26M94.9Very high95.5Very high24 Ų2486.3 Ų86.312%0.11842%0.421CS..Hα-helixtrans-58.9-37.3180-71-175.9177.600113.4Q22 Q28 E29 N30 I38 R41 L42 E45Q22-M26 PolarHBondContact O-N 3.33Å; M26-Q28 VanDerWaalsContact C-N 3.34Å; M26-E29 PolarHBondContact O-N 3.48Å; M26-N30 WeakPolarHBondContact O-CB 3.23Å; M26-N30 PolarHBondContact O-N 3.09Å; M26-I38 HydrophobicContact CB-CG1 4.48Å; M26-I38 HydrophobicContact CB-CG2 4.01Å; M26-I38 HydrophobicContact SD-CG2 3.9Å; M26-R41 HydrophobicContact CE-CB 4.44Å; M26-L42 HydrophobicContact CE-CD2 3.51Å; M26-L42 HydrophobicContact CE-CG 4.06Å; M26-L42 HydrophobicContact SD-CD1 4.4Å; M26-L42 HydrophobicContact SD-CD2 3.71Å; M26-L42 HydrophobicContact SD-CG 3.78Å; M26-E45 VanDerWaalsContact CE-CD 3.42Å; M26-E45 WeakPolarHBondContact CE-OE1 3.45Å; M26-E45 WeakPolarHBondContact CE-OE2 3.43Å
27A95.6Very high95.4Very high43 Ų4384.7 Ų84.736%0.35541%0.412SS..Hα-helixtrans-69.9-29.7177.300000113R23 R24 K25 N30 P31 I38R23-A27 WeakPolarHBondContact O-CB 3.49Å; R23-A27 PolarHBondContact O-N 3.43Å; R23-A27 VanDerWaalsContact O-N 3.09Å; R24-A27 PolarHBondContact O-N 3.42Å; K25-A27 VanDerWaalsContact C-N 3.3Å; K25-A27 PolarHBondContact O-N 3.03Å; A27-N30 CarbonylContact O-C 3.52Å; A27-P31 VanDerWaalsContact O-CA 3.3Å; A27-P31 WeakPolarHBondContact O-CA 3.29Å; A27-I38 HydrophobicContact CB-CD1 4.08Å
28Q95.8Very high95.4Very high160 Ų16083.7 Ų83.775%0.74841%0.406SS*.Hα-helixtrans-74.8-39.6174.3-169.764.743.400111.6R24 K25 M26R24-Q28 PolarHBondContact O-N 3.13Å; R24-Q28 VanDerWaalsContact O-N 3.1Å; K25-Q28 WeakPolarHBondContact O-CB 3.47Å; K25-Q28 PolarHBondContact O-N 2.96Å; M26-Q28 VanDerWaalsContact C-N 3.34Å
29E94.3Very high95.3Very high111 Ų11184.9 Ų84.952%0.51942%0.416SS..Hα-helixtrans-72.2-33.7177.2-67166160.300112.3K25 M26K25-E29 WeakPolarHBondContact CE-OE1 3.49Å; K25-E29 WeakPolarHBondContact CG-OE1 3.39Å; K25-E29 IonicContact NZ-OE1 3.84Å; K25-E29 WeakPolarHBondContact O-CG 2.95Å; K25-E29 PolarHBondContact O-N 3.26Å; M26-E29 PolarHBondContact O-N 3.48Å
30N90.3Very high95.3Very high70 Ų7091.2 Ų91.237%0.37444%0.444SS..  trans-129.967.7-175.7-64.8-103.6000111.1M26 A27 K32 M33M26-N30 WeakPolarHBondContact O-CB 3.23Å; M26-N30 PolarHBondContact O-N 3.09Å; A27-N30 CarbonylContact O-C 3.52Å; N30-K32 PolarHBondContact O-N 2.84Å; N30-M33 HydrophobicContact CB-CB 3.78Å; N30-M33 HydrophobicContact CB-CE 3.87Å; N30-M33 WeakPolarHBondContact O-CB 3.44Å; N30-M33 PolarHBondContact O-N 3.3Å
31P91.3Very high95.3Very high110 Ų11088.9 Ų88.971%0.71444%0.435SS*.THydrogen-bonded Turntrans-64.3-15.6-174.325.1-35.1000114.5A27A27-P31 VanDerWaalsContact O-CA 3.3Å; A27-P31 WeakPolarHBondContact O-CA 3.29Å
32K92.8Very high95.4Very high214 Ų21487.3 Ų87.393%0.9342%0.419SS*.THydrogen-bonded Turntrans-87.3-8.4172.6-65-177.6179.3178.60113.8N30N30-K32 PolarHBondContact O-N 2.84Å
33M93.2Very high95.5Very high41 Ų4185.6 Ų85.620%0.20242%0.418CS..SBendtrans-84125.2-176.1-169.8-176.3-63.100111.5N30 E37 I38N30-M33 HydrophobicContact CB-CB 3.78Å; N30-M33 HydrophobicContact CB-CE 3.87Å; N30-M33 WeakPolarHBondContact O-CB 3.44Å; N30-M33 PolarHBondContact O-N 3.3Å; M33-E37 HydrophobicContact CG-CB 4.07Å; M33-E37 HydrophobicContact CG-CG 4.06Å; M33-E37 HydrophobicContact SD-CB 4.44Å; M33-E37 HydrophobicContact SD-CG 4.05Å; M33-I38 HydrophobicContact CB-CD1 4.42Å; M33-I38 HydrophobicContact CB-CG1 4.28Å; M33-I38 HydrophobicContact CG-CG1 3.87Å; M33-I38 HydrophobicContact SD-CG1 3.6Å
34H95.3Very high95.5Very high141 Ų14185.5 Ų85.565%0.65343%0.429SS*.  trans-71.6148.3-178.5-167.661.2000112.7S36 E37 I38H34-S36 PolarHBondContact CD2-OG 3.06Å; H34-S36 PolarHBondContact O-N 2.96Å; H34-S36 VanDerWaalsContact O-N 3.14Å; H34-E37 WeakPolarHBondContact O-CB 3.32Å; H34-E37 PolarHBondContact O-N 3.28Å; H34-I38 PolarHBondContact O-N 2.99Å
35N94.1Very high95.5Very high75 Ų7579.6 Ų79.640%0.40141%0.409SS..Hα-helixtrans-64.7-24.8-169-159-91.9000114.4S39N35-S39 VanDerWaalsContact O-CB 3.29Å; N35-S39 WeakPolarHBondContact O-CB 3.5Å; N35-S39 PolarHBondContact O-N 3.03Å; N35-S39 PolarHBondContact O-OG 2.74Å; N35-S39 PolarHBondContact OD1-OG 2.68Å
36S96.3Very high95.6Very high68 Ų6876.2 Ų76.248%0.47639%0.393SS..Hα-helixtrans-64.2-41.1173.163.30000111.5H34 S39 K40H34-S36 PolarHBondContact CD2-OG 3.06Å; H34-S36 PolarHBondContact O-N 2.96Å; H34-S36 VanDerWaalsContact O-N 3.14Å; S36-S39 PolarHBondContact O-N 2.58Å; S36-K40 WeakPolarHBondContact O-CG 3.31Å; S36-K40 PolarHBondContact O-N 2.72Å
37E96.7Very high95.7Very high56 Ų5683.2 Ų83.226%0.26242%0.423SS..Hα-helixtrans-70.9-45.6179.8-174.354.6-145.700111.3M33 H34 S39 K40 R41M33-E37 HydrophobicContact CG-CB 4.07Å; M33-E37 HydrophobicContact CG-CG 4.06Å; M33-E37 HydrophobicContact SD-CB 4.44Å; M33-E37 HydrophobicContact SD-CG 4.05Å; H34-E37 WeakPolarHBondContact O-CB 3.32Å; H34-E37 PolarHBondContact O-N 3.28Å; E37-S39 PolarHBondContact O-N 2.78Å; E37-K40 WeakPolarHBondContact O-CB 3.28Å; E37-K40 PolarHBondContact O-N 2.99Å; E37-K40 WeakPolarHBondContact OE2-CD 3.22Å; E37-K40 WeakPolarHBondContact OE2-CE 3.47Å; E37-K40 IonicContact OE2-NZ 2.74Å; E37-K40 PolarHBondContact OE2-NZ 3.41Å; E37-R41 PolarHBondContact O-N 2.83Å; E37-R41 VanDerWaalsContact O-N 3.09Å; E37-R41 IonicContact OE1-NE 3.25Å; E37-R41 PolarHBondContact OE1-NE 3.4Å; E37-R41 IonicContact OE1-NH2 3.81Å
38I96.5Very high95.8Very high3 Ų388.3 Ų88.32%0.01544%0.444CS..Hα-helixtrans-52.4-45.5169.5-64174.1000110.1R23 M26 A27 M33 H34 K40 R41 L42R23-I38 HydrophobicContact CB-CG2 4.32Å; R23-I38 HydrophobicContact CG-CG2 4.03Å; M26-I38 HydrophobicContact CB-CG1 4.48Å; M26-I38 HydrophobicContact CB-CG2 4.01Å; M26-I38 HydrophobicContact SD-CG2 3.9Å; A27-I38 HydrophobicContact CB-CD1 4.08Å; M33-I38 HydrophobicContact CB-CD1 4.42Å; M33-I38 HydrophobicContact CB-CG1 4.28Å; M33-I38 HydrophobicContact CG-CG1 3.87Å; M33-I38 HydrophobicContact SD-CG1 3.6Å; H34-I38 PolarHBondContact O-N 2.99Å; I38-K40 PolarHBondContact O-N 3.18Å; I38-R41 PolarHBondContact O-N 2.94Å; I38-L42 HydrophobicContact CG2-CD1 3.72Å; I38-L42 HydrophobicContact CG2-CG 4.32Å; I38-L42 WeakPolarHBondContact O-CB 3.38Å; I38-L42 VanDerWaalsContact O-CG 3.23Å; I38-L42 WeakPolarHBondContact O-CG 3.5Å; I38-L42 PolarHBondContact O-N 2.98Å
39S97.1Very high95.9Very high37 Ų3782 Ų8226%0.25942%0.415SS..Hα-helixtrans-70.8-24.6-179.6-60.80000114R23 N35 S36 E37 G43R23-S39 PolarHBondContact NH2-OG 3.43Å; R23-S39 VanDerWaalsContact NH2-OG 3.13Å; N35-S39 VanDerWaalsContact O-CB 3.29Å; N35-S39 WeakPolarHBondContact O-CB 3.5Å; N35-S39 PolarHBondContact O-N 3.03Å; N35-S39 PolarHBondContact O-OG 2.74Å; N35-S39 PolarHBondContact OD1-OG 2.68Å; S36-S39 PolarHBondContact O-N 2.58Å; E37-S39 PolarHBondContact O-N 2.78Å; S39-G43 PolarHBondContact O-N 2.74Å
40K97.7Very high96.1Very high133 Ų13378.9 Ų78.958%0.57841%0.405SS*.Hα-helixtrans-67.8-50.7168.6-66.3179.9-154.8159.20110.9S36 E37 I38 G43 A44S36-K40 WeakPolarHBondContact O-CG 3.31Å; S36-K40 PolarHBondContact O-N 2.72Å; E37-K40 WeakPolarHBondContact O-CB 3.28Å; E37-K40 PolarHBondContact O-N 2.99Å; E37-K40 WeakPolarHBondContact OE2-CD 3.22Å; E37-K40 WeakPolarHBondContact OE2-CE 3.47Å; E37-K40 IonicContact OE2-NZ 2.74Å; E37-K40 PolarHBondContact OE2-NZ 3.41Å; I38-K40 PolarHBondContact O-N 3.18Å; K40-G43 CarbonylContact O-C 3.6Å; K40-G43 WeakPolarHBondContact O-CA 3.49Å; K40-G43 PolarHBondContact O-N 2.71Å; K40-A44 PolarHBondContact O-N 2.98Å; K40-A44 VanDerWaalsContact O-N 3.08Å
41R97.2Very high96.4Very high119 Ų11980.8 Ų80.845%0.44941%0.412SS..Hα-helixtrans-60.3-48.4-176.7-66.5178.6-177.1-147.1-0.6111.5M26 E37 I38 G43 A44 E45M26-R41 HydrophobicContact CE-CB 4.44Å; E37-R41 PolarHBondContact O-N 2.83Å; E37-R41 VanDerWaalsContact O-N 3.09Å; E37-R41 IonicContact OE1-NE 3.25Å; E37-R41 PolarHBondContact OE1-NE 3.4Å; E37-R41 IonicContact OE1-NH2 3.81Å; I38-R41 PolarHBondContact O-N 2.94Å; R41-G43 PolarHBondContact O-N 3.24Å; R41-A44 WeakPolarHBondContact O-CA 3.22Å; R41-A44 WeakPolarHBondContact O-CB 3.32Å; R41-A44 PolarHBondContact O-N 2.94Å; R41-E45 PolarHBondContact O-N 2.95Å
42L97.7Very high96.7Very high0 Ų079.6 Ų79.60%041%0.406CS..Hα-helixtrans-57.3-35.9172-67.6174.1000112.8F15 W18 Q22 R23 M26 I38 A44 W46F15-L42 HydrophobicContact CE2-CB 4.42Å; F15-L42 HydrophobicContact CZ-CB 4.47Å; W18-L42 HydrophobicContact CH2-CB 4.19Å; W18-L42 HydrophobicContact CH2-CD2 3.68Å; W18-L42 WeakPolarHBondContact CH2-O 3.35Å; W18-L42 HydrophobicContact CZ3-CB 3.89Å; W18-L42 HydrophobicContact CZ3-CD2 3.92Å; W18-L42 HydrophobicContact CZ3-CG 4.48Å; W18-L42 VanDerWaalsContact CZ3-O 3.28Å; W18-L42 WeakPolarHBondContact CZ3-O 3.44Å; Q22-L42 HydrophobicContact CB-CD2 3.36Å; Q22-L42 HydrophobicContact CG-CD2 4.38Å; R23-L42 HydrophobicContact CB-CD1 3.75Å; M26-L42 HydrophobicContact CE-CD2 3.51Å; M26-L42 HydrophobicContact CE-CG 4.06Å; M26-L42 HydrophobicContact SD-CD1 4.4Å; M26-L42 HydrophobicContact SD-CD2 3.71Å; M26-L42 HydrophobicContact SD-CG 3.78Å; I38-L42 HydrophobicContact CG2-CD1 3.72Å; I38-L42 HydrophobicContact CG2-CG 4.32Å; I38-L42 WeakPolarHBondContact O-CB 3.38Å; I38-L42 VanDerWaalsContact O-CG 3.23Å; I38-L42 WeakPolarHBondContact O-CG 3.5Å; I38-L42 PolarHBondContact O-N 2.98Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 2.89Å; L42-W46 VanDerWaalsContact O-CB 3.31Å; L42-W46 WeakPolarHBondContact O-CB 3.42Å; L42-W46 PolarHBondContact O-N 3.29Å
43G97.9Very high96.9Very high26 Ų2674.3 Ų74.327%0.26839%0.385SS..Hα-helixtrans-71.2-19.2175.500000114.7S39 K40 R41 K47S39-G43 PolarHBondContact O-N 2.74Å; K40-G43 CarbonylContact O-C 3.6Å; K40-G43 WeakPolarHBondContact O-CA 3.49Å; K40-G43 PolarHBondContact O-N 2.71Å; R41-G43 PolarHBondContact O-N 3.24Å; G43-K47 WeakPolarHBondContact O-CG 3.45Å
44A97.9Very high97.1Very high52 Ų5273.7 Ų73.743%0.4338%0.381SS..Hα-helixtrans-85.9-50.5170.900000110.8K40 R41 L42 W46 K47 L48K40-A44 PolarHBondContact O-N 2.98Å; K40-A44 VanDerWaalsContact O-N 3.08Å; R41-A44 WeakPolarHBondContact O-CA 3.22Å; R41-A44 WeakPolarHBondContact O-CB 3.32Å; R41-A44 PolarHBondContact O-N 2.94Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 2.89Å; A44-W46 VanDerWaalsContact C-N 3.34Å; A44-W46 PolarHBondContact O-N 2.97Å; A44-K47 WeakPolarHBondContact O-CB 3.19Å; A44-K47 PolarHBondContact O-N 3.34Å; A44-L48 PolarHBondContact O-N 3.12Å
45E97.6Very high97.3Very high73 Ų7374.6 Ų74.634%0.34138%0.379SS..Hα-helixtrans-53.3-47.1175.7-74.4168.8-167.300112.3W18 M26 R41 K47 L48 L49W18-E45 HydrophobicContact CH2-CB 3.82Å; W18-E45 HydrophobicContact CZ2-CB 4.22Å; M26-E45 VanDerWaalsContact CE-CD 3.42Å; M26-E45 WeakPolarHBondContact CE-OE1 3.45Å; M26-E45 WeakPolarHBondContact CE-OE2 3.43Å; R41-E45 PolarHBondContact O-N 2.95Å; E45-K47 PolarHBondContact O-N 2.95Å; E45-K47 VanDerWaalsContact O-N 3.12Å; E45-L48 WeakPolarHBondContact O-CA 3.08Å; E45-L48 WeakPolarHBondContact O-CB 3.49Å; E45-L48 PolarHBondContact O-N 3.47Å; E45-L49 WeakPolarHBondContact O-CD1 3.28Å; E45-L49 PolarHBondContact O-N 3.24Å
46W98Very high97.5Very high45 Ų4574.7 Ų74.717%0.1738%0.383CS..Hα-helixtrans-59.4-25.9177.3179.9-99.7000113.9A14 F15 W18 L42 A44 L49 K54 Y57A14-W46 HydrophobicContact CB-CH2 3.87Å; A14-W46 HydrophobicContact CB-CZ2 3.85Å; F15-W46 HydrophobicContact CB-CD2 4.35Å; F15-W46 HydrophobicContact CD2-CB 3.72Å; F15-W46 AromaticContact CD2-CD1 3.91Å; F15-W46 AromaticContact CD2-CD2 3.98Å; F15-W46 HydrophobicContact CD2-CD2 3.98Å; F15-W46 AromaticContact CD2-CG 3.55Å; F15-W46 HydrophobicContact CD2-CG 3.55Å; F15-W46 HydrophobicContact CE2-CB 3.95Å; F15-W46 HydrophobicContact CE2-CG 4.28Å; F15-W46 HydrophobicContact CG-CG 4.49Å; W18-W46 HydrophobicContact CB-CE3 4.02Å; W18-W46 HydrophobicContact CB-CZ3 3.62Å; W18-W46 AromaticContact CD2-CE3 3.54Å; W18-W46 HydrophobicContact CD2-CE3 3.54Å; W18-W46 HydrophobicContact CD2-CZ3 4.01Å; W18-W46 HydrophobicContact CE3-CB 4.22Å; W18-W46 HydrophobicContact CE3-CD2 4.33Å; W18-W46 AromaticContact CE3-CE3 3.66Å; W18-W46 HydrophobicContact CE3-CE3 3.66Å; W18-W46 HydrophobicContact CE3-CZ3 4.44Å; W18-W46 AromaticContact CG-CE3 3.7Å; W18-W46 HydrophobicContact CG-CE3 3.7Å; W18-W46 AromaticContact CG-CZ3 3.63Å; W18-W46 HydrophobicContact CG-CZ3 3.63Å; W18-W46 HydrophobicContact CH2-CB 4.19Å; W18-W46 HydrophobicContact CZ3-CB 3.81Å; W18-W46 HydrophobicContact CZ3-CE3 4.35Å; L42-W46 VanDerWaalsContact O-CB 3.31Å; L42-W46 WeakPolarHBondContact O-CB 3.42Å; L42-W46 PolarHBondContact O-N 3.29Å; A44-W46 VanDerWaalsContact C-N 3.34Å; A44-W46 PolarHBondContact O-N 2.97Å; W46-L49 HydrophobicContact CE3-CD2 4.27Å; W46-L49 HydrophobicContact CZ3-CD2 4.41Å; W46-K54 HydrophobicContact CH2-CB 4Å; W46-K54 HydrophobicContact CH2-CG 3.74Å; W46-K54 HydrophobicContact CZ2-CB 4.34Å; W46-K54 HydrophobicContact CZ2-CD 4.43Å; W46-K54 HydrophobicContact CZ2-CG 3.92Å; W46-K54 HydrophobicContact CZ3-CG 4.05Å; W46-K54 WeakPolarHBondContact O-CE 3.47Å; W46-K54 PolarHBondContact O-NZ 3.2Å; W46-Y57 HydrophobicContact CZ3-CD2 4.24Å
47K97.5Very high97.6Very high170 Ų17075 Ų7574%0.73938%0.375SS*.Hα-helixtrans-73.2-41.7173.1-67.4174.7178.8-176.40110.8G43 A44 E45 K54G43-K47 WeakPolarHBondContact O-CG 3.45Å; A44-K47 WeakPolarHBondContact O-CB 3.19Å; A44-K47 PolarHBondContact O-N 3.34Å; E45-K47 PolarHBondContact O-N 2.95Å; E45-K47 VanDerWaalsContact O-N 3.12Å; K47-K54 PolarHBondContact O-NZ 3.43Å
48L97.6Very high97.6Very high150 Ų15074.4 Ų74.479%0.78537%0.373SS*.Hα-helixtrans-71.1-30.5-177.7-62.2173.1000113.9A44 E45A44-L48 PolarHBondContact O-N 3.12Å; E45-L48 WeakPolarHBondContact O-CA 3.08Å; E45-L48 WeakPolarHBondContact O-CB 3.49Å; E45-L48 PolarHBondContact O-N 3.47Å
49L97.1Very high97.7Very high29 Ų2977.9 Ų77.915%0.15239%0.391CS..SBendtrans-52.2139.5174.8-97.872.2000111.6W18 E45 W46 E53 K54W18-L49 HydrophobicContact CZ2-CD1 4.16Å; W18-L49 HydrophobicContact CZ2-CD2 4.45Å; E45-L49 WeakPolarHBondContact O-CD1 3.28Å; E45-L49 PolarHBondContact O-N 3.24Å; W46-L49 HydrophobicContact CE3-CD2 4.27Å; W46-L49 HydrophobicContact CZ3-CD2 4.41Å; L49-E53 HydrophobicContact CB-CB 4.39Å; L49-E53 HydrophobicContact CD2-CB 4.02Å; L49-E53 HydrophobicContact CG-CB 4.14Å; L49-K54 HydrophobicContact CB-CG 4.19Å; L49-K54 WeakPolarHBondContact O-CE 3.39Å; L49-K54 PolarHBondContact O-NZ 2.84Å
50S98.1Very high97.8Very high44 Ų4479 Ų7931%0.30839%0.392SS..  trans-67.4159.4172.567.40000112.1S52 E53 K54S50-S52 WeakPolarHBondContact CB-OG 3.49Å; S50-S52 PolarHBondContact O-N 3.08Å; S50-S52 PolarHBondContact OG-OG 3.01Å; S50-E53 VanDerWaalsContact CB-OE2 3.22Å; S50-E53 WeakPolarHBondContact CB-OE2 3.47Å; S50-E53 PolarHBondContact N-OE2 3.45Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 VanDerWaalsContact O-N 3.14Å; S50-E53 WeakPolarHBondContact OG-CG 3.4Å; S50-E53 PolarHBondContact OG-N 3.12Å; S50-E53 PolarHBondContact OG-OE2 2.8Å; S50-K54 WeakPolarHBondContact O-CG 3.42Å; S50-K54 PolarHBondContact O-N 2.86Å
51E96.8Very high97.8Very high110 Ų11073.3 Ų73.351%0.51437%0.37SS..Hα-helixtrans-64.7-30.9176.8-164.359.4-159.500111.9K54 R55 I58E51-K54 PolarHBondContact O-N 3.3Å; E51-K54 WeakPolarHBondContact OE2-CD 3.41Å; E51-R55 WeakPolarHBondContact O-CG 3.39Å; E51-R55 PolarHBondContact O-N 3.01Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.31Å
52S97.8Very high97.9Very high85 Ų8573.6 Ų73.659%0.59438%0.375SS*.Hα-helixtrans-57.4-44.2169.623.30000113.2S50 K54S50-S52 WeakPolarHBondContact CB-OG 3.49Å; S50-S52 PolarHBondContact O-N 3.08Å; S50-S52 PolarHBondContact OG-OG 3.01Å; S52-K54 VanDerWaalsContact C-N 3.35Å
53E97.1Very high97.9Very high103 Ų10379.2 Ų79.248%0.48140%0.396SS..Hα-helixtrans-72.7-29.4175.8-68.4161.497.700112.1L49 S50 P56 Y57L49-E53 HydrophobicContact CB-CB 4.39Å; L49-E53 HydrophobicContact CD2-CB 4.02Å; L49-E53 HydrophobicContact CG-CB 4.14Å; S50-E53 VanDerWaalsContact CB-OE2 3.22Å; S50-E53 WeakPolarHBondContact CB-OE2 3.47Å; S50-E53 PolarHBondContact N-OE2 3.45Å; S50-E53 PolarHBondContact O-N 3.26Å; S50-E53 VanDerWaalsContact O-N 3.14Å; S50-E53 WeakPolarHBondContact OG-CG 3.4Å; S50-E53 PolarHBondContact OG-N 3.12Å; S50-E53 PolarHBondContact OG-OE2 2.8Å; E53-P56 WeakPolarHBondContact O-CD 3.48Å; E53-P56 WeakPolarHBondContact O-CG 3.17Å; E53-Y57 WeakPolarHBondContact O-CD2 3.36Å; E53-Y57 VanDerWaalsContact O-CE2 3.28Å; E53-Y57 WeakPolarHBondContact O-CE2 3.38Å
54K98Very high97.9Very high28 Ų2879.6 Ų79.612%0.12239%0.392CS..Hα-helixtrans-73.8-35.5177.9-70162.5171.7155.30112.8W46 K47 L49 S50 E51 S52 Y57 I58W46-K54 HydrophobicContact CH2-CB 4Å; W46-K54 HydrophobicContact CH2-CG 3.74Å; W46-K54 HydrophobicContact CZ2-CB 4.34Å; W46-K54 HydrophobicContact CZ2-CD 4.43Å; W46-K54 HydrophobicContact CZ2-CG 3.92Å; W46-K54 HydrophobicContact CZ3-CG 4.05Å; W46-K54 WeakPolarHBondContact O-CE 3.47Å; W46-K54 PolarHBondContact O-NZ 3.2Å; K47-K54 PolarHBondContact O-NZ 3.43Å; L49-K54 HydrophobicContact CB-CG 4.19Å; L49-K54 WeakPolarHBondContact O-CE 3.39Å; L49-K54 PolarHBondContact O-NZ 2.84Å; S50-K54 WeakPolarHBondContact O-CG 3.42Å; S50-K54 PolarHBondContact O-N 2.86Å; E51-K54 PolarHBondContact O-N 3.3Å; E51-K54 WeakPolarHBondContact OE2-CD 3.41Å; S52-K54 VanDerWaalsContact C-N 3.35Å; K54-Y57 PolarHBondContact O-N 2.92Å; K54-I58 HydrophobicContact CB-CD1 3.79Å; K54-I58 HydrophobicContact CB-CG1 4.43Å; K54-I58 WeakPolarHBondContact O-CG1 3.43Å; K54-I58 PolarHBondContact O-N 2.98Å
55R98.1Very high97.9Very high161 Ų16185 Ų8561%0.60840%0.401SS*.Hα-helixtrans-41.7-57.6-178.9-85.4176.2-173.7-1692114.8E51 Y57 I58 D59E51-R55 WeakPolarHBondContact O-CG 3.39Å; E51-R55 PolarHBondContact O-N 3.01Å; R55-Y57 VanDerWaalsContact C-N 3.25Å; R55-Y57 PolarHBondContact O-N 3.22Å; R55-I58 CarbonylContact O-C 3.6Å; R55-I58 WeakPolarHBondContact O-CA 3.44Å; R55-I58 WeakPolarHBondContact O-CB 3.33Å; R55-I58 PolarHBondContact O-N 2.91Å; R55-D59 PolarHBondContact O-N 3.23Å
56P98.3Very high97.9Very high76 Ų7684.7 Ų84.749%0.49441%0.411SS..Hα-helixtrans-57.9-35.2-178.521.2-33.7000113.5E53 E60E53-P56 WeakPolarHBondContact O-CD 3.48Å; E53-P56 WeakPolarHBondContact O-CG 3.17Å; P56-E60 VanDerWaalsContact O-CB 3.31Å; P56-E60 WeakPolarHBondContact O-CB 3.35Å; P56-E60 PolarHBondContact O-N 3.46Å
57Y98.2Very high97.9Very high76 Ų7686 Ų8630%0.29842%0.419SS..Hα-helixtrans-78.7-29.7177-51.9-73.4000112.8A14 V17 W18 W46 E53 K54 R55 A61A14-Y57 WeakPolarHBondContact CA-O 3.34Å; A14-Y57 WeakPolarHBondContact CB-O 3.3Å; V17-Y57 HydrophobicContact CG1-CD1 4.14Å; W18-Y57 HydrophobicContact CB-CD1 3.78Å; W18-Y57 HydrophobicContact CB-CD2 4.2Å; W18-Y57 HydrophobicContact CB-CE1 4.19Å; W18-Y57 HydrophobicContact CB-CG 3.78Å; W18-Y57 AromaticContact CD1-CD2 3.89Å; W18-Y57 AromaticContact CD1-CE2 3.56Å; W18-Y57 AromaticContact CD1-CZ 3.65Å; W18-Y57 HydrophobicContact CG-CD2 4.4Å; W18-Y57 HydrophobicContact CG-CE2 4.44Å; W18-Y57 HydrophobicContact CG-CG 4.44Å; W46-Y57 HydrophobicContact CZ3-CD2 4.24Å; E53-Y57 WeakPolarHBondContact O-CD2 3.36Å; E53-Y57 VanDerWaalsContact O-CE2 3.28Å; E53-Y57 WeakPolarHBondContact O-CE2 3.38Å; K54-Y57 PolarHBondContact O-N 2.92Å; R55-Y57 VanDerWaalsContact C-N 3.25Å; R55-Y57 PolarHBondContact O-N 3.22Å; Y57-A61 VanDerWaalsContact O-CB 3.24Å; Y57-A61 WeakPolarHBondContact O-CB 3.41Å; Y57-A61 PolarHBondContact O-N 2.97Å
58I98Very high97.9Very high43 Ų4378.8 Ų78.822%0.22139%0.388CS..Hα-helixtrans-66.2-46171.1-71.3168.1000110.1A14 E51 K54 R55 A61 K62A14-I58 HydrophobicContact CB-CB 4.44Å; A14-I58 HydrophobicContact CB-CG1 3.77Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.31Å; K54-I58 HydrophobicContact CB-CD1 3.79Å; K54-I58 HydrophobicContact CB-CG1 4.43Å; K54-I58 WeakPolarHBondContact O-CG1 3.43Å; K54-I58 PolarHBondContact O-N 2.98Å; R55-I58 CarbonylContact O-C 3.6Å; R55-I58 WeakPolarHBondContact O-CA 3.44Å; R55-I58 WeakPolarHBondContact O-CB 3.33Å; R55-I58 PolarHBondContact O-N 2.91Å; I58-A61 PolarHBondContact O-N 3.05Å; I58-K62 WeakPolarHBondContact O-CG 3.17Å; I58-K62 PolarHBondContact O-N 3.04Å
59D98.4Very high97.9Very high75 Ų7576.8 Ų76.840%0.40138%0.375SS..Hα-helixtrans-73.7-37.5-177.8-65.2-37.9000112.2R55 A61 K62 R63R55-D59 PolarHBondContact O-N 3.23Å; D59-A61 VanDerWaalsContact C-N 3.31Å; D59-A61 PolarHBondContact O-N 3.14Å; D59-K62 WeakPolarHBondContact O-CB 3.41Å; D59-K62 PolarHBondContact O-N 3.34Å; D59-K62 WeakPolarHBondContact OD1-CD 3.38Å; D59-K62 WeakPolarHBondContact OD1-CE 3.13Å; D59-K62 IonicContact OD1-NZ 3.41Å; D59-K62 PolarHBondContact OD1-NZ 3.32Å; D59-R63 WeakPolarHBondContact O-CB 2.87Å; D59-R63 PolarHBondContact O-N 2.89Å
60E98.3Very high97.9Very high61 Ų6184.3 Ų84.329%0.28541%0.407SS..Hα-helixtrans-62.3-37.4168.4175.856.5-165.700111.9V17 P56 R63 L64V17-E60 HydrophobicContact CG1-CB 4.35Å; V17-E60 HydrophobicContact CG1-CG 3.76Å; V17-E60 HydrophobicContact CG2-CG 4.39Å; P56-E60 VanDerWaalsContact O-CB 3.31Å; P56-E60 WeakPolarHBondContact O-CB 3.35Å; P56-E60 PolarHBondContact O-N 3.46Å; E60-R63 PolarHBondContact O-N 3.43Å; E60-R63 IonicContact OE1-CZ 2.68Å; E60-R63 IonicContact OE1-NE 3.49Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 3.26Å; E60-R63 IonicContact OE2-CZ 3.6Å; E60-R63 IonicContact OE2-NE 3.63Å; E60-R63 PolarHBondContact OE2-NE 2.85Å; E60-R63 IonicContact OE2-NH2 2.66Å; E60-R63 PolarHBondContact OE2-NH2 3.44Å; E60-L64 HydrophobicContact CG-CD1 4.1Å; E60-L64 HydrophobicContact CG-CG 4.46Å; E60-L64 WeakPolarHBondContact O-CB 3.36Å; E60-L64 VanDerWaalsContact O-CG 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.2Å; E60-L64 PolarHBondContact O-N 2.87Å; E60-L64 WeakPolarHBondContact OE1-CG 3.24Å
61A98.3Very high97.8Very high13 Ų1387.1 Ų87.111%0.10742%0.415CS..Hα-helixtrans-68.9-33.6174.100000113.1A14 V17 Y57 I58 D59 R65A14-A61 HydrophobicContact CB-CB 4.26Å; A14-A61 VanDerWaalsContact N-CB 3.33Å; V17-A61 HydrophobicContact CG2-CB 4.32Å; Y57-A61 VanDerWaalsContact O-CB 3.24Å; Y57-A61 WeakPolarHBondContact O-CB 3.41Å; Y57-A61 PolarHBondContact O-N 2.97Å; I58-A61 PolarHBondContact O-N 3.05Å; D59-A61 VanDerWaalsContact C-N 3.31Å; D59-A61 PolarHBondContact O-N 3.14Å; A61-R65 WeakPolarHBondContact O-CB 3.49Å; A61-R65 PolarHBondContact O-N 3.28Å
62K98.5Very high97.8Very high126 Ų12685 Ų8555%0.54841%0.405SS..Hα-helixtrans-63.3-47.1168.7-67.9170-168.2161.40110.4I58 D59 R65 A66I58-K62 WeakPolarHBondContact O-CG 3.17Å; I58-K62 PolarHBondContact O-N 3.04Å; D59-K62 WeakPolarHBondContact O-CB 3.41Å; D59-K62 PolarHBondContact O-N 3.34Å; D59-K62 WeakPolarHBondContact OD1-CD 3.38Å; D59-K62 WeakPolarHBondContact OD1-CE 3.13Å; D59-K62 IonicContact OD1-NZ 3.41Å; D59-K62 PolarHBondContact OD1-NZ 3.32Å; K62-R65 PolarHBondContact O-N 3.06Å; K62-A66 PolarHBondContact O-N 3.19Å
63R98.5Very high97.6Very high117 Ų11785.6 Ų85.644%0.44241%0.407SS..Hα-helixtrans-59.3-49.1179.1-163.9-163.36668.38.6111.6D59 E60 R65 A66 Q67D59-R63 WeakPolarHBondContact O-CB 2.87Å; D59-R63 PolarHBondContact O-N 2.89Å; E60-R63 PolarHBondContact O-N 3.43Å; E60-R63 IonicContact OE1-CZ 2.68Å; E60-R63 IonicContact OE1-NE 3.49Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 3.26Å; E60-R63 IonicContact OE2-CZ 3.6Å; E60-R63 IonicContact OE2-NE 3.63Å; E60-R63 PolarHBondContact OE2-NE 2.85Å; E60-R63 IonicContact OE2-NH2 2.66Å; E60-R63 PolarHBondContact OE2-NH2 3.44Å; R63-R65 VanDerWaalsContact C-N 3.33Å; R63-R65 PolarHBondContact O-N 2.92Å; R63-A66 PolarHBondContact O-N 3.2Å; R63-Q67 WeakPolarHBondContact O-CB 3.42Å; R63-Q67 PolarHBondContact O-N 3.04Å
64L98.3Very high97.5Very high35 Ų3588.1 Ų88.118%0.18342%0.424CS..Hα-helixtrans-61.6-37.5175.4-72.8170000112.5M12 V17 E60 H68M12-L64 HydrophobicContact CB-CD1 4.41Å; M12-L64 HydrophobicContact CE-CD1 3.97Å; V17-L64 HydrophobicContact CG2-CD1 3.75Å; E60-L64 HydrophobicContact CG-CD1 4.1Å; E60-L64 HydrophobicContact CG-CG 4.46Å; E60-L64 WeakPolarHBondContact O-CB 3.36Å; E60-L64 VanDerWaalsContact O-CG 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.2Å; E60-L64 PolarHBondContact O-N 2.87Å; E60-L64 WeakPolarHBondContact OE1-CG 3.24Å; L64-H68 WeakPolarHBondContact O-CB 3.36Å; L64-H68 PolarHBondContact O-N 2.9Å
65R97.7Very high97.4Very high166 Ų16689.7 Ų89.763%0.62643%0.429SS*.Hα-helixtrans-66.7-43.8174.6-178.5-178.7174.4-172.9-3.1111.9P11 A61 K62 R63 H68 M69P11-R65 HydrophobicContact CG-CB 4.48Å; A61-R65 WeakPolarHBondContact O-CB 3.49Å; A61-R65 PolarHBondContact O-N 3.28Å; K62-R65 PolarHBondContact O-N 3.06Å; R63-R65 VanDerWaalsContact C-N 3.33Å; R63-R65 PolarHBondContact O-N 2.92Å; R65-H68 PolarHBondContact O-N 2.66Å; R65-M69 WeakPolarHBondContact O-CG 3.49Å; R65-M69 PolarHBondContact O-N 2.67Å; R65-M69 VanDerWaalsContact O-N 3.07Å
66A97.8Very high97.2Very high66 Ų6689.3 Ų89.355%0.54543%0.432SS..Hα-helixtrans-65.6-46178.300000111.6K62 R63 H68 M69 K70K62-A66 PolarHBondContact O-N 3.19Å; R63-A66 PolarHBondContact O-N 3.2Å; A66-H68 PolarHBondContact O-N 3.06Å; A66-M69 PolarHBondContact O-N 3.25Å; A66-K70 PolarHBondContact O-N 2.9Å
67Q98Very high97.1Very high73 Ų7391.3 Ų91.334%0.34143%0.431SS..Hα-helixtrans-54.9-50.1172.7176.8172.5-1.300111R63 M69 K70 E71R63-Q67 WeakPolarHBondContact O-CB 3.42Å; R63-Q67 PolarHBondContact O-N 3.04Å; Q67-M69 VanDerWaalsContact C-N 3.32Å; Q67-M69 PolarHBondContact O-N 3.23Å; Q67-K70 WeakPolarHBondContact O-CB 3.38Å; Q67-K70 PolarHBondContact O-N 2.97Å; Q67-E71 VanDerWaalsContact CG-CD 3.46Å; Q67-E71 HydrophobicContact CG-CG 4.3Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.15Å; Q67-E71 PolarHBondContact NE2-OE1 3.29Å; Q67-E71 WeakPolarHBondContact O-CG 3.39Å; Q67-E71 PolarHBondContact O-N 3.1Å
68H97.9Very high96.9Very high18 Ų1897.6 Ų97.68%0.08345%0.454CS..Hα-helixtrans-60.8-36.2179.7-173.381.7000113.8I8 K9 P11 L64 R65 A66 H72 Y75I8-H68 VanDerWaalsContact CG2-CE1 3.42Å; I8-H68 WeakPolarHBondContact CG2-CE1 3.42Å; K9-H68 PolarHBondContact O-CE1 3.27Å; P11-H68 HydrophobicContact CB-CB 4.04Å; P11-H68 HydrophobicContact CG-CB 4.24Å; L64-H68 WeakPolarHBondContact O-CB 3.36Å; L64-H68 PolarHBondContact O-N 2.9Å; R65-H68 PolarHBondContact O-N 2.66Å; A66-H68 PolarHBondContact O-N 3.06Å; H68-H72 AromaticContact CE1-CD2 3.54Å; H68-H72 AromaticContact ND1-CD2 3.66Å; H68-H72 WeakPolarHBondContact O-CB 3.47Å; H68-H72 PolarHBondContact O-N 3.07Å; H68-Y75 AromaticContact CD2-CD1 3.95Å; H68-Y75 AromaticContact NE2-CD1 3.45Å; H68-Y75 WeakPolarHBondContact NE2-CD1 3.45Å; H68-Y75 AromaticContact NE2-CD2 3.78Å; H68-Y75 AromaticContact NE2-CE1 3.63Å; H68-Y75 AromaticContact NE2-CE2 3.94Å; H68-Y75 AromaticContact NE2-CG 3.51Å; H68-Y75 AromaticContact NE2-CZ 3.86Å
69M97Very high96.6Very high108 Ų10899.3 Ų99.353%0.53247%0.467SS..Hα-helixtrans-75.7-23.5175.7-69.4-165.470.200113.2R65 A66 Q67R65-M69 WeakPolarHBondContact O-CG 3.49Å; R65-M69 PolarHBondContact O-N 2.67Å; R65-M69 VanDerWaalsContact O-N 3.07Å; A66-M69 PolarHBondContact O-N 3.25Å; Q67-M69 VanDerWaalsContact C-N 3.32Å; Q67-M69 PolarHBondContact O-N 3.23Å
70K97.1Very high96.3Very high186 Ų186106.1 Ų106.181%0.80949%0.488SS*.Hα-helixtrans-76.6-40.1170.5-178.6179175.7-179.20111.9A66 Q67A66-K70 PolarHBondContact O-N 2.9Å; Q67-K70 WeakPolarHBondContact O-CB 3.38Å; Q67-K70 PolarHBondContact O-N 2.97Å
71E96.8Very high95.9Very high104 Ų104114.2 Ų114.249%0.48652%0.516SS..Hα-helixtrans-74-28.7179.1-70.6167.8170.100112.6Q67Q67-E71 VanDerWaalsContact CG-CD 3.46Å; Q67-E71 HydrophobicContact CG-CG 4.3Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.15Å; Q67-E71 PolarHBondContact NE2-OE1 3.29Å; Q67-E71 WeakPolarHBondContact O-CG 3.39Å; Q67-E71 PolarHBondContact O-N 3.1Å
72H95.3Very high95.5Very high66 Ų66122 Ų12231%0.30655%0.547SS..  trans-137.775.4-177.5-52.6-47.4000111.2I8 H68 D74 Y75I8-H72 HydrophobicContact CD1-CB 4.23Å; I8-H72 WeakPolarHBondContact CG2-CD2 3.17Å; H68-H72 AromaticContact CE1-CD2 3.54Å; H68-H72 AromaticContact ND1-CD2 3.66Å; H68-H72 WeakPolarHBondContact O-CB 3.47Å; H68-H72 PolarHBondContact O-N 3.07Å; H72-D74 VanDerWaalsContact C-N 3.29Å; H72-D74 PolarHBondContact O-N 2.96Å; H72-Y75 WeakPolarHBondContact O-CB 3.48Å; H72-Y75 PolarHBondContact O-N 3.32Å
73P94.9Very high94.9Very high97 Ų97121.2 Ų121.263%0.6356%0.555SS**THydrogen-bonded Turntrans-59-38.4-178.322.7-33.4000112.8Y75P73-Y75 PolarHBondContact O-N 3.05Å
74D94.4Very high94.2Very high155 Ų155124.4 Ų124.483%0.82957%0.572SS**THydrogen-bonded Turntrans-77.16.5177.9-59-70.1000114.5H72 K76H72-D74 VanDerWaalsContact C-N 3.29Å; H72-D74 PolarHBondContact O-N 2.96Å; D74-K76 PolarHBondContact O-N 3.07Å
75Y95.9Very high93.3Very high61 Ų61129.6 Ų129.624%0.23960%0.6CS.*  trans-66.8102.7-175.2-175.7-101.7000112.9I8 R10 H68 H72 P73I8-Y75 HydrophobicContact CB-CD2 3.91Å; I8-Y75 HydrophobicContact CB-CE2 3.89Å; I8-Y75 HydrophobicContact CD1-CD2 4.44Å; I8-Y75 HydrophobicContact CG2-CD2 3.39Å; I8-Y75 HydrophobicContact CG2-CE2 3.49Å; I8-Y75 VanDerWaalsContact CG2-CE2 3.49Å; I8-Y75 HydrophobicContact CG2-CG 4.36Å; R10-Y75 WeakPolarHBondContact CG-OH 2.77Å; H68-Y75 AromaticContact CD2-CD1 3.95Å; H68-Y75 AromaticContact NE2-CD1 3.45Å; H68-Y75 WeakPolarHBondContact NE2-CD1 3.45Å; H68-Y75 AromaticContact NE2-CD2 3.78Å; H68-Y75 AromaticContact NE2-CE1 3.63Å; H68-Y75 AromaticContact NE2-CE2 3.94Å; H68-Y75 AromaticContact NE2-CG 3.51Å; H68-Y75 AromaticContact NE2-CZ 3.86Å; H72-Y75 WeakPolarHBondContact O-CB 3.48Å; H72-Y75 PolarHBondContact O-N 3.32Å; P73-Y75 PolarHBondContact O-N 3.05Å
76K94.6Very high91.9Very high154 Ų154128 Ų12867%0.6760%0.603SS**  trans-110.5115.5175.1-163.4161.8-170.51650111.8D74 R78D74-K76 PolarHBondContact O-N 3.07Å; K76-R78 PolarHBondContact O-N 3.15Å; K76-R78 VanDerWaalsContact O-N 3.11Å
77Y95.4Very high90.4Very high118 Ų118132.5 Ų132.546%0.46362%0.617SS.*  trans-64.3111.2174.2171.1-135000111.5R10 P79R10-Y77 VanDerWaalsContact CZ-CZ 3.46Å; R10-Y77 PolarHBondContact NH1-OH 3.26Å; R10-Y77 VanDerWaalsContact NH1-OH 3.15Å; R10-Y77 PolarHBondContact NH2-OH 3.31Å; R10-Y77 VanDerWaalsContact NH2-OH 3.07Å; Y77-P79 HydrophobicContact CE1-CG 4.19Å; Y77-P79 HydrophobicContact CE2-CB 3.94Å; Y77-P79 HydrophobicContact CE2-CG 4.25Å; Y77-P79 WeakPolarHBondContact O-CD 3.4Å
78R92.9Very high88.5Confident208 Ų208138.1 Ų138.179%0.78564%0.64SS**  trans-11693177.1-64.8179.7-171.2-125.58.6110.7K76 R80K76-R78 PolarHBondContact O-N 3.15Å; K76-R78 VanDerWaalsContact O-N 3.11Å; R78-R80 PolarHBondContact O-N 2.94Å
79P93.2Very high86.5Confident78 Ų78145.5 Ų145.551%0.50667%0.672SS.*  trans-66.3117.317721.2-28.8000112.4Y77 R81Y77-P79 HydrophobicContact CE1-CG 4.19Å; Y77-P79 HydrophobicContact CE2-CB 3.94Å; Y77-P79 HydrophobicContact CE2-CG 4.25Å; Y77-P79 WeakPolarHBondContact O-CD 3.4Å; P79-R81 PolarHBondContact O-N 3.2Å
80R91.6Very high84.6Confident218 Ų218147 Ų14782%0.82368%0.682SS**  trans-70.3100.9174.9-169.5-177.8-168-82.46.7110.8R78R78-R80 PolarHBondContact O-N 2.94Å
81R90.6Very high82.7Confident232 Ų232149.1 Ų149.188%0.87569%0.685SS**PPolyproline II helixtrans-60.7137.2167.4-59.6179.980.9162.82.3108.9P79P79-R81 PolarHBondContact O-N 3.2Å
82K88.9Confident80.5Confident177 Ų177154.4 Ų154.477%0.7770%0.702SS**PPolyproline II helixtrans-90.2142.7163.2-69.9-177.2176.7-176.30107.9
83P87.1Confident78.6Confident109 Ų109157.2 Ų157.271%0.70872%0.724SS**PPolyproline II helixtrans-60.2138.8169.826.8-33.5000109.5
84K83.8Confident76.5Confident184 Ų184160.5 Ų160.580%0.873%0.728SS**  trans-86.7114.6168.4-70.7-175.1176.7-175.70107.2L86K84-L86 HydrophobicContact CB-CD2 4.46Å; K84-L86 PolarHBondContact O-N 3.11Å
85N78.6Confident74.6Confident143 Ų143158.6 Ų158.677%0.76573%0.725SS**  trans-70.898.2171.6-71.4-17.9000108.7L87N85-L87 VanDerWaalsContact C-N 3.3Å
86L68.4Low72.5Confident134 Ų134162.2 Ų162.270%0.70275%0.747SS**  trans-72.8-24.1-179.6-64.7175.8000112.6K84 K88 K89K84-L86 HydrophobicContact CB-CD2 4.46Å; K84-L86 PolarHBondContact O-N 3.11Å; L86-K88 PolarHBondContact O-N 3.01Å; L86-K89 PolarHBondContact O-N 3.06Å
87L65.4Low70.6Confident160 Ų160160.9 Ų160.984%0.83875%0.754SS**THydrogen-bonded Turntrans-67.328.8-175.9-53.5177.4000115.6N85N85-L87 VanDerWaalsContact C-N 3.3Å
88K59.3Low68.3Low190 Ų190165.5 Ų165.583%0.82677%0.773SS**THydrogen-bonded Turntrans-133.111.8170.9-71.7-160172.5-165.40113.3L86L86-K88 PolarHBondContact O-N 3.01Å
89K56.2Low66.3Low173 Ų173163 Ų16375%0.75277%0.774SS**SBendtrans-91.9-16.4178.8-159.9166.8-179.5-1730114.4L86 R91L86-K89 PolarHBondContact O-N 3.06Å; K89-R91 PolarHBondContact O-N 2.77Å; K89-R91 VanDerWaalsContact O-N 3.17Å
90D56.3Low63.7Low140 Ų140163 Ų16375%0.74979%0.788SS**THydrogen-bonded Turntrans-84.914.3-174.4-45.2-45.5000114.2
91R57Low61.2Low230 Ų230159.9 Ų159.987%0.86879%0.788SS**THydrogen-bonded Turntrans-122.123.7174.6-78.8-76-72.4-158.1-3.9113.4K89K89-R91 PolarHBondContact O-N 2.77Å; K89-R91 VanDerWaalsContact O-N 3.17Å
92Y50.8Low58.8Low215 Ų215155.4 Ų155.484%0.84379%0.787SS**  trans-113.566.4163.1-95.7-81.9000110.3F94Y92-F94 PolarHBondContact O-N 3.21Å
93V55.3Low56.5Low125 Ų125153.9 Ų153.976%0.75879%0.787SS**  trans-69.3118.7158.11780000106.5P95V93-P95 WeakPolarHBondContact O-CD 3.5Å
94F50.5Low54.3Low166 Ų166157.4 Ų157.473%0.72879%0.793SS**  trans-74.1121.4177.4-167.7-82.4000108.4Y92 L96Y92-F94 PolarHBondContact O-N 3.21Å; F94-L96 HydrophobicContact CD1-CD1 4.13Å; F94-L96 HydrophobicContact CE1-CD1 4.39Å; F94-L96 PolarHBondContact O-N 3.17Å
95P55.9Low52.2Low116 Ų116154 Ų15475%0.75378%0.784SS**  trans-69.895.9178.8-18.232.7000110.2V93V93-P95 WeakPolarHBondContact O-CD 3.5Å
96L51.8Low50.1Low136 Ų136156.6 Ų156.671%0.71279%0.788SS**  trans-86.2121.1171.2-141.397.6000108.1F94 Y98F94-L96 HydrophobicContact CD1-CD1 4.13Å; F94-L96 HydrophobicContact CE1-CD1 4.39Å; F94-L96 PolarHBondContact O-N 3.17Å; L96-Y98 PolarHBondContact O-N 3.39Å
97P53.3Low48.3Very low126 Ų126154 Ų15482%0.81879%0.793SS**  trans-76.5112.3173.330.1-31.3000109.1
98Y47.7Very low46.9Very low216 Ų216154.8 Ų154.885%0.84780%0.798SS**  trans-128142.9169.6-169.1-107000110.5L96L96-Y98 PolarHBondContact O-N 3.39Å
99L51.1Low45.5Very low154 Ų154151.1 Ų151.181%0.80680%0.796SS**  trans-90.9148-175.8-65.3160.6000110.3
100G37.8Very low44.4Very low79 Ų79147.2 Ų147.281%0.81480%0.796SS**  trans148.6113.2165.900000114.1
101D38.6Very low43.5Very low153 Ų153145.3 Ų145.382%0.81879%0.793SS**  trans-61.3153.6169-84.3-62.6000113.3
102T40.4Very low42.3Very low138 Ų138141.1 Ų141.185%0.84779%0.788SS**  -175.1145112.120.70000111.7
103D40.2Very low41.7Very low145 Ų145137 Ų13778%0.77579%0.791SS**  trans-63.6142.9175.6-66-87.1000113.3
104H41.6Very low41Very low182 Ų182138.6 Ų138.684%0.84379%0.794SS**  -153.8147.3127.3-131.6-99.6000116.3
105L39Very low40.7Very low114 Ų114138.9 Ų138.960%0.59780%0.802SS**  trans-57.4149.2-168.6-91.756.2000119.6
106K34.8Very low39.6Very low197 Ų197138.6 Ų138.686%0.85780%0.804SS**  trans74.9131.2138.7-70.4169.6-177.2176.40120.4
107G30.1Very low38.7Very low79 Ų79136.1 Ų136.181%0.81480%0.802SS**  trans-178.943.3173.300000115.8
108L36.8Very low37.7Very low177 Ų177135.1 Ų135.193%0.92780%0.799SS**  trans-78.4158.7165.8-53.9172.1000108.5
109S30.7Very low37.2Very low113 Ų113131.4 Ų131.479%0.7979%0.789SS**  cis-161.5-175.117-162.60000110.6
110A33.3Very low36.7Very low91 Ų91132.5 Ų132.575%0.75279%0.787SS**  trans71.2142.7161.300000118.3
111S37.2Very low36.9Very low99 Ų99135.4 Ų135.469%0.69279%0.789SS**  cis-153.2150.5-9.250.30000112.8
112D32Very low37Very low142 Ų142139.7 Ų139.776%0.75979%0.794SS**  trans14127.7153.9-53.3-73.6000121.5
113S36.6Very low37.1Very low128 Ų128137 Ų13790%0.89579%0.785SS**  -159.2133.7107.6-80.40000111.8
114L42.2Very low37.1Very low160 Ų160140 Ų14084%0.83879%0.791SS**  trans-80.9152.1175.3-69.4159000111.1
115L42.5Very low37.4Very low171 Ų171138.9 Ų138.990%0.89579%0.789SS**  -169.9103.5128.2-104.3171.9000113.8
116S32.7Very low37.7Very low111 Ų111138.5 Ų138.578%0.77679%0.793SS**  trans62134.2138.6-142.80000124.4
117A33.6Very low38.5Very low83 Ų83135.3 Ų135.369%0.68679%0.792SS**  trans78.5121.5143.100000122.2
118S33.6Very low39Very low106 Ų106137.9 Ų137.974%0.74179%0.792SS**  trans46.2138.4133-62.20000121.5
119E36.1Very low39.8Very low137 Ų137134.9 Ų134.964%0.6479%0.786SS**  cis-162.8166.812.2-129.3176.3110.900113.3
120K41.1Very low40.5Very low178 Ų178136 Ų13677%0.77479%0.788SS**  trans56.787.8155.1-76159.8177.1147.90118.8
121V41.2Very low41.5Very low140 Ų140137.2 Ų137.285%0.84879%0.788SS**  trans-35.6137.4149.51770000113.7
122R41.6Very low41.4Very low243 Ų243143.5 Ų143.592%0.91780%0.798SS**  trans-142.3127.3138.3-158.2164.9-169.5125.93.3110.8
123A42.9Very low41.8Very low80 Ų80140.8 Ų140.866%0.66179%0.79SS**  trans-73146.9-174.300000112.6
124F40Very low42Very low209 Ų209143.6 Ų143.692%0.91779%0.787SS**  trans-11895.9164.2-117.3-84.9000108.7
125M48.3Very low42Very low159 Ų159143 Ų14378%0.78378%0.784SS**PPolyproline II helixtrans-77.2128.3164.9-65.7-105.370.700108
126P45Very low41.8Very low105 Ų105140.3 Ų140.368%0.68277%0.77SS**PPolyproline II helixtrans-72133.2164.130.4-31.3000108.9T128P126-T128 PolarHBondContact O-N 2.91Å
127P51.2Low42.3Very low131 Ų131139.1 Ų139.185%0.85176%0.76SS**PPolyproline II helixtrans-65.1133.8172.127.5-33.2000109.7
128T41Very low43Very low133 Ų133140.8 Ų140.882%0.81677%0.766SS**PPolyproline II helixtrans-71.2142.7-178.439.70000111.9P126P126-T128 PolarHBondContact O-N 2.91Å
129S52.5Low43.2Very low114 Ų114143.2 Ų143.280%0.79777%0.766SS**PPolyproline II helixtrans-70.1139.9168.652.60000111.3
130V45.3Very low43.2Very low137 Ų137146.5 Ų146.583%0.8378%0.778SS**  trans-119134.7157.3-73.30000109.4
131P54.6Low42.9Very low116 Ų116144 Ų14475%0.75378%0.779SS**  trans-95.2161.4-176.337.3-35.2000112.5
132Y35.1Very low43Very low231 Ų231142.3 Ų142.391%0.90677%0.773SS**  trans-143.5156.9146.8-148.3-96000110.8
133S41.7Very low42.6Very low84 Ų84136.7 Ų136.759%0.58777%0.771SS**  trans-116.5150.6-164.3-62.50000112.9
134F40.4Very low42.1Very low187 Ų187136.8 Ų136.882%0.8277%0.771SS**  trans51.1131.7142.7-89-113.3000121.4
135L42.7Very low42.1Very low149 Ų149133.8 Ų133.878%0.7876%0.763SS**  trans70.5115.4152-59.1163.5000119
136D36.3Very low41.7Very low114 Ų114134 Ų13461%0.6176%0.763SS**  -149.4128.4113.7-175.141.5000110.4Q139D136-Q139 PolarHBondContact OD1-NE2 3.3Å
137P44.3Very low41.2Very low85 Ų85137.8 Ų137.855%0.55277%0.768SS**  trans-99.6124.4169.58.911.6000112.6
138S48.5Very low40.3Very low118 Ų118139.3 Ų139.383%0.82577%0.766SS**  trans50.666.8150.559.40000117.5
139Q37.9Very low39.9Very low158 Ų158137.7 Ų137.774%0.73876%0.756SS**  trans-112.891.6166.1-69.1-172.575.400112.4D136D136-Q139 PolarHBondContact OD1-NE2 3.3Å
140F35.2Very low38.8Very low205 Ų205140.9 Ų140.990%0.89976%0.758SS**  trans-14180.3150.7-165.9-97.2000110.9
141T35.3Very low38.3Very low127 Ų127142.4 Ų142.478%0.77976%0.759SS**  trans-134.4156.4158.878.20000105.6
142S42.6Very low38.1Very low103 Ų103141.1 Ų141.172%0.7275%0.75SS**  cis-147.41577.3-59.50000110.3
143S33.4Very low38.3Very low125 Ų125138.1 Ų138.187%0.87474%0.744SS**  trans173.1143.4142.8-80.90000110.6
144A33.8Very low37.8Very low82 Ų82139.9 Ų139.968%0.67875%0.751SS**  cis-164.6149.6-25.700000108.5
145I39.4Very low37.5Very low146 Ų146138.3 Ų138.375%0.74975%0.748SS**  trans39.4111.1142.1-60.4177.4000116.2
146Q39.1Very low37.2Very low165 Ų165136.7 Ų136.777%0.77175%0.745SS**  -173.1176.858.6-122.3158.743.400107.4
147K34.2Very low37Very low183 Ų183137.3 Ų137.380%0.79675%0.753SS**  cis-157162.920.6-151.4168.3-174.1177.30110.6
148M32.9Very low36.7Very low163 Ų163138.6 Ų138.680%0.80376%0.764SS**  trans-85.4163175.352.1-169.7-81.400113.7
149T31.9Very low36Very low99 Ų99138.2 Ų138.261%0.60776%0.761SS**  trans137.1131.5135.7-66.30000117.1
150E29.2Very low36.1Very low181 Ų181139 Ų13985%0.84677%0.77SS**  trans56.7111.1156.3-72.8164.7144.300125
151M36.2Very low36Very low170 Ų170132.9 Ų132.984%0.83776%0.764SS**  -74173.9127.4-95.9-98.5-176.100109.4
152P50.9Low35.9Very low88 Ų88137.8 Ų137.857%0.57177%0.77SS**  cis-152.4-166.836.126.43.5000118.2
153H38.5Very low35.4Very low168 Ų168136.5 Ų136.578%0.77877%0.773SS**  trans82.3137.5164.5-45.5-58000116.1
154T30.4Very low35.4Very low121 Ų121136.2 Ų136.274%0.74277%0.771SS**  cis-138.3-178.317.7620000110.4
155M35.1Very low35.7Very low154 Ų154140.4 Ų140.476%0.75978%0.781SS**  cis-161.1158.7-7.4-131.932.2171.500112
156T35.3Very low35.3Very low115 Ų115137.2 Ų137.271%0.70678%0.784SS**  trans25.8129.2139-48.20000120.7
157T33.6Very low35.5Very low128 Ų128140.4 Ų140.479%0.78579%0.79SS**  -144.5156.563.744.30000117.5
158S37.6Very low35.6Very low112 Ų112141 Ų14178%0.78380%0.796SS**  trans-27158.9166.452.90000120.3
159S34.2Very low36.1Very low110 Ų110141.3 Ų141.377%0.76980%0.801SS**  cis-155.7145.135.659.40000118.4
160L40.1Very low36.1Very low174 Ų174140.4 Ų140.491%0.91181%0.811SS**  trans-2.5149.7160.2-63.2166.5000123.3
161G32.3Very low36.9Very low76 Ų76136.9 Ų136.978%0.78481%0.813SS**  trans-166.35.7175.100000122
162Y32.9Very low37Very low231 Ų231138.9 Ų138.991%0.90682%0.818SS**  trans51.5113.9162.5-112.6-91.6000123.8
163G32.4Very low36.3Very low75 Ų75137.8 Ų137.877%0.77382%0.822SS**  trans71.8169.6146.600000119.6
164S32.8Very low36.6Very low119 Ų119135.6 Ų135.683%0.83283%0.825SS**  cis-159.4165.4-26.2-164.70000110.6
165L40.6Very low37Very low171 Ų171138.4 Ų138.490%0.89584%0.835SS**  trans-35.5140.5-177.5-75.9155000118.2
166G30.4Very low37Very low78 Ų78134.6 Ų134.680%0.80484%0.836SS**  trans-171.9100.4164.500000114.9
167Y43.2Very low37.1Very low232 Ų232135.3 Ų135.391%0.9184%0.843SS**  trans-94123.8165.8-101.4-92.7000109.7
168Q37.5Very low37.7Very low197 Ų197135.2 Ų135.292%0.92185%0.845SS**  trans-161.5145.4150.9-123161.469.100113.6
169N42.2Very low38.2Very low169 Ų169134.2 Ų134.290%0.90484%0.838SS**  trans-79.4142.7164.2-86.9-64.7000109.5
170G32.3Very low38.8Very low80 Ų80136.8 Ų136.883%0.82584%0.838SS**  trans-177.1115.6172.100000111.9
171A47.2Very low39.4Very low106 Ų106136.3 Ų136.388%0.87683%0.831SS**  trans-105.9104.7177.200000110.7
172F38.1Very low40.3Very low213 Ų213138.3 Ų138.393%0.93483%0.828SS**  trans-167.7156155.1-161.9-105.8000110.8
173G34.8Very low41.5Very low64 Ų64130.6 Ų130.666%0.6680%0.8SS**  trans101.8116.8162.800000115.9
174S44.7Very low42.8Very low122 Ų122130.9 Ų130.985%0.85379%0.787SS**  trans-79.8138.5172.6-53.50000112
175L40.4Very low44Very low180 Ų180132.1 Ų132.194%0.94278%0.779SS**  trans-130.4121.1148.4-73.2178000108.1
176G33.8Very low44.8Very low75 Ų75128.1 Ų128.177%0.77376%0.764SS**PPolyproline II helixtrans-95.2139-170.300000113.5
177C38.1Very low45.7Very low129 Ų129126 Ų12687%0.87274%0.736SS**PPolyproline II helixtrans-76.2128.5164.7-63.10000109.8
178P45.6Very low46.5Very low126 Ų126121.5 Ų121.582%0.81874%0.735SS**PPolyproline II helixtrans-76.6151.8179.231-34.7000112.5
179S48.8Very low47.5Very low91 Ų91118.3 Ų118.364%0.63673%0.73SS**  trans64.273.5169.8-1570000117.3H181S179-H181 PolarHBondContact OG-CD2 2.81Å; S179-H181 PolarHBondContact OG-NE2 3.19Å
180Q47.4Very low47.9Very low165 Ų165114.7 Ų114.777%0.77171%0.71SS**  trans-113109.9135-71.6-165.8700108.6T182Q180-T182 VanDerWaalsContact C-N 3.29Å; Q180-T182 PolarHBondContact O-N 2.04Å
181H52.7Low49.3Very low164 Ų164116.7 Ų116.776%0.75971%0.709SS**  trans-79.678.2175.1-69.5-84.5000110.2S179 H183S179-H181 PolarHBondContact OG-CD2 2.81Å; S179-H181 PolarHBondContact OG-NE2 3.19Å; H181-H183 PolarHBondContact O-N 3.39Å
182T51.3Low50Low118 Ų118115 Ų11572%0.72470%0.702SS**  trans-62.6124.7170.546.60000109.7Q180Q180-T182 VanDerWaalsContact C-N 3.29Å; Q180-T182 PolarHBondContact O-N 2.04Å
183H58.2Low51.1Low69 Ų69112.5 Ų112.532%0.31969%0.688SS.*EExtended strand (participates in β ladder)trans-119.6136.9171.661.7-102.6000110.3H181 H185 C197 C199H181-H183 PolarHBondContact O-N 3.39Å; H183-H185 AromaticContact CD2-CD2 3.75Å; H183-C197 PolarHBondContact O-N 3.02Å; H183-C199 WeakPolarHBondContact CE1-CB 3.12Å
184T59.7Low52.8Low80 Ų80113.7 Ų113.749%0.49168%0.682SS.*EExtended strand (participates in β ladder)trans-109.3131176.729.60000109.4V194T184-V194 HydrophobicContact CG2-CB 4.05Å; T184-V194 HydrophobicContact CG2-CG2 4.37Å
185H56.5Low53.8Low145 Ų145111.6 Ų111.667%0.67166%0.664SS**EExtended strand (participates in β ladder)trans-108.7142.2169.9-67.1-55.7000109.6H183H183-H185 AromaticContact CD2-CD2 3.75Å
186P58Low54.9Low88 Ų88107.8 Ų107.857%0.57165%0.649SS**EExtended strand (participates in β ladder)trans-67.2138.3172.828.8-33.8000110
187S49.1Very low56.5Low33 Ų33106.6 Ų106.623%0.23163%0.629CS.*EExtended strand (participates in β ladder)trans-66.5130.1178.3-178.40000111.2T189 N190 Y193S187-T189 PolarHBondContact O-N 2.97Å; S187-N190 PolarHBondContact O-N 3.27Å; S187-Y193 PolarHBondContact N-O 2.98Å
188P59.8Low57.5Low137 Ų137107.3 Ų107.389%0.8962%0.624SS**THydrogen-bonded Turntrans-59.6-11.6-179.5-26.335000115.8
189T58.3Low58.1Low131 Ų131104.3 Ų104.380%0.80461%0.606SS**THydrogen-bonded Turntrans-118-5.9-178.654.10000114.3S187S187-T189 PolarHBondContact O-N 2.97Å
190N51Low58.3Low93 Ų93106 Ų10650%0.49761%0.612SS.*EExtended strand (participates in β ladder)trans-156.8105.3176.6-164.5-21.2000111.9S187 G192 Y193S187-N190 PolarHBondContact O-N 3.27Å; N190-G192 PolarHBondContact O-N 2.81Å; N190-G192 VanDerWaalsContact O-N 3.15Å; N190-G192 PolarHBondContact OD1-N 3.08Å; N190-Y193 PolarHBondContact O-N 3.26Å
191P61.3Low58.6Low121 Ų121102.1 Ų102.179%0.78661%0.608SS**EExtended strand (participates in β ladder)trans-61.4-22-178.2-25.235.2000115Y193P191-Y193 VanDerWaalsContact C-N 3.32Å; P191-Y193 PolarHBondContact O-N 2.97Å
192G63.1Low58.4Low72 Ų72106.7 Ų106.774%0.74262%0.619SS**EExtended strand (participates in β ladder)trans-81.4-1.4-178.500000115.4N190N190-G192 PolarHBondContact O-N 2.81Å; N190-G192 VanDerWaalsContact O-N 3.15Å; N190-G192 PolarHBondContact OD1-N 3.08Å
193Y60.3Low57.9Low160 Ų160105.7 Ų105.763%0.62762%0.616SS**EExtended strand (participates in β ladder)trans-126.9113.7-176.3-158.7-98.6000112S187 N190 P191 V195S187-Y193 PolarHBondContact N-O 2.98Å; N190-Y193 PolarHBondContact O-N 3.26Å; P191-Y193 VanDerWaalsContact C-N 3.32Å; P191-Y193 PolarHBondContact O-N 2.97Å; Y193-V195 HydrophobicContact CD1-CG2 3.92Å; Y193-V195 HydrophobicContact CE1-CG2 4.04Å
194V71.3Confident57.3Low88 Ų88107 Ų10753%0.53364%0.639SS.*EExtended strand (participates in β ladder)trans-94.7129.6174.9-71.30000110.3T184T184-V194 HydrophobicContact CG2-CB 4.05Å; T184-V194 HydrophobicContact CG2-CG2 4.37Å
195V65.2Low56.8Low79 Ų79108.6 Ų108.648%0.47965%0.654SS.*EExtended strand (participates in β ladder)trans-104.9123178.3-176.60000108.8Y193 C197Y193-V195 HydrophobicContact CD1-CG2 3.92Å; Y193-V195 HydrophobicContact CE1-CG2 4.04Å; V195-C197 PolarHBondContact O-N 3.1Å
196P62.7Low56.4Low99 Ų99106.9 Ų106.964%0.64366%0.658SS**EExtended strand (participates in β ladder)trans-68.6125.2172.2-16.730.5000110.3
197C69Low55.8Low51 Ų51109.9 Ų109.935%0.34567%0.668SS.*EExtended strand (participates in β ladder)trans-88.5124.6163.4-167.30000110H183 V195 C199H183-C197 PolarHBondContact O-N 3.02Å; V195-C197 PolarHBondContact O-N 3.1Å; C197-C199 HydrophobicContact CB-CB 3.86Å; C197-C199 WeakPolarHBondContact CB-SG 3.43Å; C197-C199 PolarHBondContact O-N 3.1Å; C197-C199 VanDerWaalsContact SG-CA 3.52Å; C197-C199 WeakPolarHBondContact SG-CB 3.47Å; C197-C199 PolarHBondContact SG-N 3.5Å; C197-C199 CovalentContact SG-SG 2.04Å; C197-C199 PolarHBondContact SG-SG 3.43Å
198N58.9Low55.7Low144 Ų144117 Ų11777%0.7770%0.698SS**  trans-80.564.7156.6-169.812.7000109.4T200N198-T200 PolarHBondContact O-N 2.93Å
199C58.2Low55.2Low63 Ų63115 Ų11543%0.42669%0.686SS.*  trans-87.195.8179.2-81.80000107.8H183 C197 A201H183-C199 WeakPolarHBondContact CE1-CB 3.12Å; C197-C199 HydrophobicContact CB-CB 3.86Å; C197-C199 WeakPolarHBondContact CB-SG 3.43Å; C197-C199 PolarHBondContact O-N 3.1Å; C197-C199 VanDerWaalsContact SG-CA 3.52Å; C197-C199 WeakPolarHBondContact SG-CB 3.47Å; C197-C199 PolarHBondContact SG-N 3.5Å; C197-C199 CovalentContact SG-SG 2.04Å; C197-C199 PolarHBondContact SG-SG 3.43Å; C199-A201 PolarHBondContact O-N 3.17Å; C199-A201 VanDerWaalsContact O-N 3.1Å
200T53.2Low54.9Low127 Ų127114.4 Ų114.478%0.77968%0.684SS**  trans-54119175.4-46.60000109.6N198 W202N198-T200 PolarHBondContact O-N 2.93Å; T200-W202 PolarHBondContact O-N 3.4Å
201A52.3Low55Low82 Ų82115.2 Ų115.268%0.67869%0.692SS**  trans-60.5122.4178.100000109.7C199 S203C199-A201 PolarHBondContact O-N 3.17Å; C199-A201 VanDerWaalsContact O-N 3.1Å; A201-S203 PolarHBondContact O-N 3.3Å; A201-S203 VanDerWaalsContact O-N 3.1Å
202W48.8Very low54.7Low260 Ų260113.6 Ų113.699%0.98569%0.689SS**  trans-62.5113.7166.4-90-34.1000108.2T200 A204T200-W202 PolarHBondContact O-N 3.4Å; W202-A204 PolarHBondContact O-N 3.24Å
203S42.2Very low54.1Low97 Ų97119.8 Ų119.868%0.67869%0.691SS**  trans-58.7108.2173.2-56.60000109.4A201 S205A201-S203 PolarHBondContact O-N 3.3Å; A201-S203 VanDerWaalsContact O-N 3.1Å; S203-S205 PolarHBondContact O-N 3.15Å
204A44.7Very low54.3Low96 Ų96118.6 Ų118.679%0.79369%0.694SS**THydrogen-bonded Turntrans-7333-179.700000113.2W202W202-A204 PolarHBondContact O-N 3.24Å
205S49.6Very low53.5Low115 Ų115122 Ų12280%0.80471%0.709SS**THydrogen-bonded Turntrans-105.82.6-167.6-47.50000113.6S203S203-S205 PolarHBondContact O-N 3.15Å
206S47.2Very low52.8Low109 Ų109126.5 Ų126.576%0.76272%0.722SS**SBendtrans-135.34.2-176.359.60000114.9
207L45.5Very low52.3Low150 Ų150128.2 Ų128.279%0.78573%0.733SS**  trans-112.1109.1173.5-75171.5000110.1P209L207-P209 WeakPolarHBondContact O-CD 3.38Å
208Q47.4Very low51.6Low182 Ų182129.3 Ų129.385%0.8575%0.753SS**PPolyproline II helixtrans-57.5120.5162.5-78.6-76.4-46.400108.7
209P49.7Very low50.8Low97 Ų97131.1 Ų131.163%0.6376%0.759SS**PPolyproline II helixtrans-71.4128.1175.928.6-32.4000109.3L207 V211L207-P209 WeakPolarHBondContact O-CD 3.38Å; P209-V211 PolarHBondContact O-N 3.38Å
210P50.5Low50.7Low118 Ų118134.8 Ų134.877%0.76678%0.78SS**PPolyproline II helixtrans-62.3125.8162.327.8-32000107.6A212P210-A212 VanDerWaalsContact C-N 3.32Å; P210-A212 PolarHBondContact O-N 3.19Å
211V54.2Low50.5Low110 Ų110138.4 Ų138.467%0.66779%0.785SS**  trans-70.189.8-176.6-174.40000109.5P209 Y213P209-V211 PolarHBondContact O-N 3.38Å; V211-Y213 HydrophobicContact CB-CD2 4.47Å; V211-Y213 HydrophobicContact CB-CE2 4.21Å; V211-Y213 HydrophobicContact CG1-CD2 3.83Å; V211-Y213 HydrophobicContact CG1-CE2 3.49Å; V211-Y213 VanDerWaalsContact CG1-CE2 3.49Å; V211-Y213 WeakPolarHBondContact O-CD2 3.1Å; V211-Y213 PolarHBondContact O-N 3.2Å
212A54.6Low50.2Low87 Ų87139.8 Ų139.872%0.71979%0.79SS**  trans-7486.8178.400000110P210 I214P210-A212 VanDerWaalsContact C-N 3.32Å; P210-A212 PolarHBondContact O-N 3.19Å; A212-I214 PolarHBondContact O-N 3.25Å
213Y51.8Low50.2Low201 Ų201130.9 Ų130.979%0.78878%0.778SS**  trans-62.1101.4171.2-80.2-86.4000110.4V211 L215V211-Y213 HydrophobicContact CB-CD2 4.47Å; V211-Y213 HydrophobicContact CB-CE2 4.21Å; V211-Y213 HydrophobicContact CG1-CD2 3.83Å; V211-Y213 HydrophobicContact CG1-CE2 3.49Å; V211-Y213 VanDerWaalsContact CG1-CE2 3.49Å; V211-Y213 WeakPolarHBondContact O-CD2 3.1Å; V211-Y213 PolarHBondContact O-N 3.2Å; Y213-L215 PolarHBondContact O-N 3.35Å; Y213-L215 VanDerWaalsContact O-N 3.08Å
214I64.3Low50.4Low135 Ų135133.8 Ų133.869%0.69279%0.785SS**  trans-71.8100170.4-64169.9000107.4A212 F216A212-I214 PolarHBondContact O-N 3.25Å; I214-F216 HydrophobicContact CG2-CE2 4.21Å; I214-F216 HydrophobicContact CG2-CZ 4.43Å; I214-F216 PolarHBondContact O-N 3Å
215L53.7Low50.6Low161 Ų161136.5 Ų136.584%0.84379%0.786SS**  trans-79.399.2-179.2-160.377000109.9Y213 P217Y213-L215 PolarHBondContact O-N 3.35Å; Y213-L215 VanDerWaalsContact O-N 3.08Å; L215-P217 WeakPolarHBondContact O-CD 3.48Å
216F51.2Low50.5Low173 Ų173137 Ų13776%0.75979%0.786SS**  trans-65.4126174.5-73.5-88.4000110.9I214 G218I214-F216 HydrophobicContact CG2-CE2 4.21Å; I214-F216 HydrophobicContact CG2-CZ 4.43Å; I214-F216 PolarHBondContact O-N 3Å; F216-G218 PolarHBondContact O-N 3.46Å
217P51Low49.8Very low134 Ų134142.3 Ų142.387%0.8779%0.791SS**THydrogen-bonded Turntrans-69.9122.6171.8-13.928.9000110L215L215-P217 WeakPolarHBondContact O-CD 3.48Å
218G54.4Low49.9Very low75 Ų75139.6 Ų139.677%0.77379%0.785SS**THydrogen-bonded Turntrans141.6-4.8168.400000118.3F216F216-G218 PolarHBondContact O-N 3.46Å
219M42.9Very low49.8Very low182 Ų182136 Ų13690%0.89778%0.78SS**  trans-98101.6176.6-69.6-167.876.500112.4K221M219-K221 PolarHBondContact O-N 3.12Å; M219-K221 VanDerWaalsContact O-N 3.12Å
220T55.3Low49.6Very low140 Ų140136.8 Ų136.886%0.85978%0.783SS**  trans-71.497.1172.550.90000110.8
221K49.5Very low49.3Very low203 Ų203140 Ų14088%0.88379%0.787SS**  trans-83.8111.2160.7-100.6-168.9171-171.70109.6M219M219-K221 PolarHBondContact O-N 3.12Å; M219-K221 VanDerWaalsContact O-N 3.12Å
222S46.4Very low48.7Very low111 Ų111138.8 Ų138.878%0.77679%0.789SS**  trans-56.2140158.735.30000109.5
223G47.5Very low48.2Very low73 Ų73141.7 Ų141.775%0.75380%0.798SS**  trans-81150.6-169.700000114.2
224I47.9Very low47.7Very low157 Ų157136.2 Ų136.281%0.80579%0.794SS**  trans-130.6112.9149.5-62.188.7000106.1
225D47.8Very low46.5Very low154 Ų154142.5 Ų142.582%0.82482%0.824SS**  trans172.3126.1155.7-90.2-25.3000104.1
226P48.2Very low46.2Very low125 Ų125141.6 Ų141.681%0.81282%0.823SS**  cis-13315443.338.6-23.4000115.4
227Y33Very low45.9Very low220 Ų220139.9 Ų139.986%0.86383%0.826SS**  trans-102.3139.1150.5-158.6-91.4000109.9
228S46.4Very low45.6Very low93 Ų93140.3 Ų140.365%0.6582%0.824SS**  trans-100.8159.6-168.6-162.90000113.5
229S45.8Very low45.1Very low108 Ų108144.1 Ų144.176%0.75583%0.827SS**  trans-27.4138.5169.8-175.70000117.7
230T44.9Very low45.2Very low113 Ų113141.8 Ų141.869%0.69382%0.823SS**  trans-143120.4150.352.40000111.8
231H43.9Very low44.6Very low185 Ų185141.9 Ų141.986%0.85682%0.82SS**  trans61.2149157.8-75.8-114.1000119.9
232A41.6Very low44.2Very low84 Ų84137.5 Ų137.569%0.69482%0.816SS**  cis-165.5165.5-21.800000109.9
233T45.4Very low44.1Very low148 Ų148139.5 Ų139.591%0.90882%0.819SS**  trans-118118.7176.8-57.70000111.8
234A39.9Very low43.8Very low86 Ų86145.1 Ų145.171%0.71182%0.824SS**  trans-161.8137.8157.700000105.8
235M40.2Very low43.4Very low268 Ų268144 Ų144100%1.3283%0.826SS**  59062.8-75.9-167.9171.500112.7

Retrieved 235 of 235 residues in 724.4 ms (Link to these results)

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