A0A096NUW4_PAPAN Loading...

cyclin-dependent kinase

AlphaFold DB (I2CUA0), UniProt , Accession A0A096NUW4, Species PAPAN (Papio anubis, Olive baboon), Gene CDKL1, Length 358 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
1M45.8Very low83.5Confident243 Ų243101.9 Ų101.9100%1.19749%0.493SS*.  0-13.10-72.1-175.8-171.600113.6
2M43.5Very low83.6Confident181 Ų18195.8 Ų95.889%0.89248%0.476SS*.THydrogen-bonded Turntrans-69128177.2-69.1-179-168.500111.5
3E75.7Confident83.5Confident98 Ų9898.1 Ų98.146%0.45849%0.485SS..THydrogen-bonded Turntrans77.137168-53.6-163.2174.500119.7Y5 R25E3-Y5 PolarHBondContact O-N 3.43Å; E3-R25 WeakPolarHBondContact O-CD 3.45Å; E3-R25 WeakPolarHBondContact O-CG 3.5Å; E3-R25 PolarHBondContact O-NE 3.3Å; E3-R25 IonicContact OE2-CZ 2.7Å; E3-R25 IonicContact OE2-NE 3.57Å; E3-R25 IonicContact OE2-NH2 2.85Å; E3-R25 PolarHBondContact OE2-NH2 2.9Å
4K90Very high82.8Confident73 Ų7394.3 Ų94.332%0.31748%0.483SS..SBendtrans-47-33.7166.2-177.9177-178.8-175.80113.6N24 R25 E69K4-N24 WeakPolarHBondContact CE-ND2 3.48Å; K4-N24 CarbonylContact O-C 3.59Å; K4-N24 WeakPolarHBondContact O-CA 3.42Å; K4-R25 PolarHBondContact O-N 2.85Å; K4-E69 IonicContact NZ-OE1 2.58Å; K4-E69 IonicContact NZ-OE2 2.8Å; K4-E69 PolarHBondContact NZ-OE2 2.88Å
5Y95Very high81.9Confident37 Ų3794.5 Ų94.515%0.14550%0.496CS..EExtended strand (participates in β ladder)trans-115.2123.5179.8-60.4-74.2000111.8E3 R23 N24 V31 I33 E69 F71 V80E3-Y5 PolarHBondContact O-N 3.43Å; Y5-R23 CarbonylContact C-O 3.42Å; Y5-R23 WeakPolarHBondContact CA-O 3.37Å; Y5-N24 HydrophobicContact CD1-CB 4.08Å; Y5-N24 HydrophobicContact CE1-CB 3.86Å; Y5-V31 HydrophobicContact CD1-CG2 3.7Å; Y5-V31 HydrophobicContact CE1-CG1 4.47Å; Y5-V31 HydrophobicContact CE1-CG2 3.74Å; Y5-I33 HydrophobicContact CD1-CD1 3.96Å; Y5-I33 HydrophobicContact CD2-CD1 3.85Å; Y5-I33 HydrophobicContact CE2-CD1 4.47Å; Y5-I33 HydrophobicContact CG-CD1 3.56Å; Y5-E69 PolarHBondContact OH-OE2 2.98Å; Y5-F71 HydrophobicContact CD2-CE1 4Å; Y5-F71 HydrophobicContact CD2-CZ 4.39Å; Y5-F71 HydrophobicContact CE2-CD1 4.45Å; Y5-F71 AromaticContact CE2-CE1 3.95Å; Y5-F71 HydrophobicContact CE2-CE1 3.95Å; Y5-V80 HydrophobicContact CE1-CG1 4.09Å; Y5-V80 HydrophobicContact CE2-CG2 4.01Å
6E94.9Very high81.5Confident66 Ų6692 Ų9231%0.30848%0.479SS..EExtended strand (participates in β ladder)trans-88.9125168.9175.3178.2-123.700109.5C22 R23 R25E6-C22 CarbonylContact O-C 3.57Å; E6-C22 WeakPolarHBondContact O-CA 3.49Å; E6-C22 VanDerWaalsContact O-CB 3.31Å; E6-C22 WeakPolarHBondContact O-CB 3.44Å; E6-R23 HydrophobicContact CB-CB 4.46Å; E6-R23 PolarHBondContact N-O 3.29Å; E6-R23 PolarHBondContact O-N 2.83Å; E6-R23 IonicContact OE2-NH1 3.43Å; E6-R23 PolarHBondContact OE2-NH1 3.37Å; E6-R25 HydrophobicContact CB-CG 4.18Å; E6-R25 IonicContact OE1-NH1 2.75Å; E6-R25 PolarHBondContact OE1-NH1 3.01Å
7K95.5Very high81.6Confident129 Ų12986.8 Ų86.856%0.56145%0.453SS*.EExtended strand (participates in β ladder)trans-77.9125.2177.2176.5177.6161.3178.80110F20K7-F20 HydrophobicContact CD-CD1 3.81Å; K7-F20 HydrophobicContact CD-CE1 4.17Å; K7-F20 HydrophobicContact CD-CG 4.15Å; K7-F20 HydrophobicContact CG-CB 4.42Å; K7-F20 HydrophobicContact CG-CD1 4.3Å; K7-F20 HydrophobicContact CG-CG 4.48Å
8I96.8Very high82.1Confident79 Ų7982.7 Ų82.741%0.40543%0.432SS..EExtended strand (participates in β ladder)trans-93.9-49.4175.8-62.5166.2000110.3K21 R23 I30I8-K21 HydrophobicContact CB-CG 4.33Å; I8-K21 WeakPolarHBondContact CB-O 3.45Å; I8-K21 HydrophobicContact CD1-CG 4.18Å; I8-K21 HydrophobicContact CG2-CD 4.5Å; I8-K21 PolarHBondContact N-O 3.34Å; I8-R23 HydrophobicContact CD1-CB 3.99Å; I8-R23 HydrophobicContact CG1-CB 4.49Å; I8-I30 HydrophobicContact CD1-CD1 3.74Å
9G95.6Very high82.7Confident24 Ų2480.3 Ų80.325%0.24742%0.421CS..EExtended strand (participates in β ladder)trans-169.9164.8-173.900000113.1F20 K21G9-F20 CarbonylContact O-C 3.51Å; G9-F20 VanDerWaalsContact O-CA 3.29Å; G9-F20 WeakPolarHBondContact O-CA 3.04Å; G9-K21 PolarHBondContact N-O 3.48Å; G9-K21 PolarHBondContact O-N 2.84Å
10K94.6Very high83.4Confident110 Ų11077.8 Ų77.848%0.47841%0.406SS..EExtended strand (participates in β ladder)trans-83.8133.2170.2-178.3176.3166.91800108.4E13 V18 F20K10-E13 IonicContact NZ-OE1 4Å; K10-E13 IonicContact NZ-OE2 3.67Å; K10-E13 PolarHBondContact NZ-OE2 3.39Å; K10-V18 HydrophobicContact CD-CG1 3.79Å; K10-V18 HydrophobicContact CG-CG1 3.81Å; K10-F20 HydrophobicContact CB-CD1 3.97Å; K10-F20 HydrophobicContact CB-CE1 3.89Å; K10-F20 HydrophobicContact CG-CD1 4.42Å; K10-F20 HydrophobicContact CG-CE1 4.15Å
11I90.9Very high84Confident81 Ų8176.7 Ų76.742%0.41540%0.399SS..EExtended strand (participates in β ladder)trans-120.6-12.1-179.459.6174.6000113.5V19 K21 A32 Y83I11-V19 HydrophobicContact CD1-CG1 3.82Å; I11-V19 HydrophobicContact CG1-CB 4.07Å; I11-V19 HydrophobicContact CG1-CG1 3.72Å; I11-V19 PolarHBondContact N-O 2.87Å; I11-K21 HydrophobicContact CD1-CB 4.34Å; I11-K21 HydrophobicContact CG2-CB 3.64Å; I11-A32 HydrophobicContact CD1-CB 4.07Å; I11-Y83 HydrophobicContact CD1-CD2 4.25Å; I11-Y83 HydrophobicContact CD1-CE2 4.01Å
12G84.9Confident86.5Confident28 Ų2865.5 Ų65.529%0.28934%0.344SS..EExtended strand (participates in β ladder)trans-167.6158.8175.100000112.1V18 V19G12-V18 WeakPolarHBondContact O-CG1 3.23Å; G12-V19 PolarHBondContact N-O 2.99Å; G12-V19 PolarHBondContact O-N 2.81Å
13E82.5Confident89Confident126 Ų12661.8 Ų61.859%0.58932%0.32SS*.EExtended strand (participates in β ladder)trans-143.1129171177.3164.3-130.400108.1K10 V18K10-E13 IonicContact NZ-OE1 4Å; K10-E13 IonicContact NZ-OE2 3.67Å; K10-E13 PolarHBondContact NZ-OE2 3.39Å; E13-V18 HydrophobicContact CG-CG2 4.21Å
14G73.4Confident90Very high45 Ų4557.6 Ų57.646%0.46430%0.301SS..EExtended strand (participates in β ladder)trans-129.4-179.7174.100000110.2Y16 G17G14-Y16 PolarHBondContact O-N 3.24Å; G14-G17 PolarHBondContact N-O 3.07Å; G14-G17 PolarHBondContact O-N 2.85Å; G14-G17 VanDerWaalsContact O-O 3.13Å
15S69.8Low90.3Very high97 Ų9759.8 Ų59.868%0.67831%0.307SS*.THydrogen-bonded Turntrans-56.1-28.7-172.3-46.70000114.5
16Y74.6Confident90.3Very high55 Ų5564.1 Ų64.122%0.21633%0.333CS..THydrogen-bonded Turntrans-111.8-5.7-173.1-49.4-68000114.1G14 F36 L37 I45 I48 F148G14-Y16 PolarHBondContact O-N 3.24Å; Y16-F36 WeakPolarHBondContact O-CA 3.42Å; Y16-L37 PolarHBondContact O-N 3.09Å; Y16-I45 HydrophobicContact CD1-CD1 3.59Å; Y16-I45 HydrophobicContact CE1-CD1 4.46Å; Y16-I45 HydrophobicContact CG-CD1 4.32Å; Y16-I48 HydrophobicContact CD1-CD1 3.94Å; Y16-I48 HydrophobicContact CD2-CD1 4.31Å; Y16-I48 HydrophobicContact CE1-CD1 3.6Å; Y16-I48 HydrophobicContact CE2-CD1 4.01Å; Y16-I48 HydrophobicContact CG-CD1 4.26Å; Y16-F148 HydrophobicContact CE2-CE1 4.36Å; Y16-F148 HydrophobicContact CE2-CE2 4.1Å; Y16-F148 AromaticContact CE2-CZ 3.54Å; Y16-F148 HydrophobicContact CE2-CZ 3.54Å
17G84Confident90.3Very high4 Ų465.3 Ų65.34%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-176.1163.6-167.700000115.4G14 K35G14-G17 PolarHBondContact N-O 3.07Å; G14-G17 PolarHBondContact O-N 2.85Å; G14-G17 VanDerWaalsContact O-O 3.13Å; G17-K35 CarbonylContact C-O 3.39Å; G17-K35 WeakPolarHBondContact CA-O 3.49Å
18V90.4Very high90.3Very high13 Ų1361.2 Ų61.28%0.07934%0.339CS..EExtended strand (participates in β ladder)trans-114.1134174.7-175.90000108.8K10 G12 E13 F20 K35 L37K10-V18 HydrophobicContact CD-CG1 3.79Å; K10-V18 HydrophobicContact CG-CG1 3.81Å; G12-V18 WeakPolarHBondContact O-CG1 3.23Å; E13-V18 HydrophobicContact CG-CG2 4.21Å; V18-F20 HydrophobicContact CB-CE2 3.93Å; V18-F20 HydrophobicContact CB-CZ 3.97Å; V18-F20 HydrophobicContact CG1-CD1 4.41Å; V18-F20 HydrophobicContact CG1-CD2 4.37Å; V18-F20 HydrophobicContact CG1-CE1 3.72Å; V18-F20 HydrophobicContact CG1-CE2 3.68Å; V18-F20 HydrophobicContact CG1-CZ 3.32Å; V18-K35 PolarHBondContact N-O 2.79Å; V18-K35 PolarHBondContact O-N 2.8Å; V18-L37 HydrophobicContact CG2-CD2 3.85Å; V18-L37 HydrophobicContact CG2-CG 4.4Å
19V93.6Very high90.3Very high36 Ų3661.9 Ų61.922%0.21834%0.341CS..EExtended strand (participates in β ladder)trans-102.3127.3178.6-1690000109.6I11 G12 A32 I33 K34I11-V19 HydrophobicContact CD1-CG1 3.82Å; I11-V19 HydrophobicContact CG1-CB 4.07Å; I11-V19 HydrophobicContact CG1-CG1 3.72Å; I11-V19 PolarHBondContact N-O 2.87Å; G12-V19 PolarHBondContact N-O 2.99Å; G12-V19 PolarHBondContact O-N 2.81Å; V19-A32 HydrophobicContact CG1-CB 4.16Å; V19-I33 WeakPolarHBondContact CA-O 3.44Å; V19-K34 HydrophobicContact CG2-CB 4.24Å; V19-K34 HydrophobicContact CG2-CG 4.17Å
20F95.8Very high90.4Very high30 Ų3063.3 Ų63.313%0.13234%0.342CS..EExtended strand (participates in β ladder)trans-114.4138.2177.8-61.9-72.1000111.2K7 G9 K10 V18 A32 I33 K35K7-F20 HydrophobicContact CD-CD1 3.81Å; K7-F20 HydrophobicContact CD-CE1 4.17Å; K7-F20 HydrophobicContact CD-CG 4.15Å; K7-F20 HydrophobicContact CG-CB 4.42Å; K7-F20 HydrophobicContact CG-CD1 4.3Å; K7-F20 HydrophobicContact CG-CG 4.48Å; G9-F20 CarbonylContact O-C 3.51Å; G9-F20 VanDerWaalsContact O-CA 3.29Å; G9-F20 WeakPolarHBondContact O-CA 3.04Å; K10-F20 HydrophobicContact CB-CD1 3.97Å; K10-F20 HydrophobicContact CB-CE1 3.89Å; K10-F20 HydrophobicContact CG-CD1 4.42Å; K10-F20 HydrophobicContact CG-CE1 4.15Å; V18-F20 HydrophobicContact CB-CE2 3.93Å; V18-F20 HydrophobicContact CB-CZ 3.97Å; V18-F20 HydrophobicContact CG1-CD1 4.41Å; V18-F20 HydrophobicContact CG1-CD2 4.37Å; V18-F20 HydrophobicContact CG1-CE1 3.72Å; V18-F20 HydrophobicContact CG1-CE2 3.68Å; V18-F20 HydrophobicContact CG1-CZ 3.32Å; F20-A32 CarbonylContact O-C 3.56Å; F20-A32 WeakPolarHBondContact O-CA 3.29Å; F20-I33 PolarHBondContact N-O 2.91Å; F20-I33 PolarHBondContact O-N 2.84Å; F20-K35 HydrophobicContact CD2-CB 4.45Å; F20-K35 HydrophobicContact CE2-CB 4.25Å; F20-K35 HydrophobicContact CE2-CD 4.22Å
21K97Very high90.5Very high56 Ų5658 Ų5824%0.24332%0.319CS..EExtended strand (participates in β ladder)trans-76124.4161.6-176.6175.8-170.1164.80108I8 G9 I11 I30 Y83I8-K21 HydrophobicContact CB-CG 4.33Å; I8-K21 WeakPolarHBondContact CB-O 3.45Å; I8-K21 HydrophobicContact CD1-CG 4.18Å; I8-K21 HydrophobicContact CG2-CD 4.5Å; I8-K21 PolarHBondContact N-O 3.34Å; G9-K21 PolarHBondContact N-O 3.48Å; G9-K21 PolarHBondContact O-N 2.84Å; I11-K21 HydrophobicContact CD1-CB 4.34Å; I11-K21 HydrophobicContact CG2-CB 3.64Å; K21-I30 HydrophobicContact CD-CG2 4.36Å; K21-I30 HydrophobicContact CG-CG2 3.89Å; K21-Y83 HydrophobicContact CB-CE2 4.2Å; K21-Y83 HydrophobicContact CD-CD2 4.37Å; K21-Y83 HydrophobicContact CD-CE2 3.64Å; K21-Y83 HydrophobicContact CG-CD2 4.05Å; K21-Y83 HydrophobicContact CG-CE2 3.76Å; K21-Y83 PolarHBondContact NZ-OH 2.88Å
22C97.3Very high90.8Very high8 Ų854.7 Ų54.75%0.05430%0.304CS..EExtended strand (participates in β ladder)trans-130.9158.9-179.9-60.70000110.6E6 I30 V31 I33E6-C22 CarbonylContact O-C 3.57Å; E6-C22 WeakPolarHBondContact O-CA 3.49Å; E6-C22 VanDerWaalsContact O-CB 3.31Å; E6-C22 WeakPolarHBondContact O-CB 3.44Å; C22-I30 WeakPolarHBondContact O-CA 3.31Å; C22-V31 HydrophobicContact CB-CG2 3.95Å; C22-V31 PolarHBondContact N-O 3.02Å; C22-V31 PolarHBondContact O-N 2.81Å; C22-I33 HydrophobicContact CB-CD1 3.82Å; C22-I33 HydrophobicContact CB-CG1 4.1Å
23R97.4Very high91.3Very high103 Ų10353.8 Ų53.839%0.38929%0.292SS..EExtended strand (participates in β ladder)trans-110.2127.7170.5-177.6-178.4-66.6133.2-8.2109.1Y5 E6 I8 R25 Q29 I30Y5-R23 CarbonylContact C-O 3.42Å; Y5-R23 WeakPolarHBondContact CA-O 3.37Å; E6-R23 HydrophobicContact CB-CB 4.46Å; E6-R23 PolarHBondContact N-O 3.29Å; E6-R23 PolarHBondContact O-N 2.83Å; E6-R23 IonicContact OE2-NH1 3.43Å; E6-R23 PolarHBondContact OE2-NH1 3.37Å; I8-R23 HydrophobicContact CD1-CB 3.99Å; I8-R23 HydrophobicContact CG1-CB 4.49Å; R23-R25 PolarHBondContact O-N 3.15Å; R23-Q29 WeakPolarHBondContact CA-O 3.1Å; R23-I30 HydrophobicContact CB-CD1 4.07Å; R23-I30 HydrophobicContact CG-CD1 4.2Å
24N96.4Very high91.9Very high9 Ų948.9 Ų48.95%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-67.8118.3165.9-175.7-23.2000108.3K4 Y5 D26 T27 G28 Q29K4-N24 WeakPolarHBondContact CE-ND2 3.48Å; K4-N24 CarbonylContact O-C 3.59Å; K4-N24 WeakPolarHBondContact O-CA 3.42Å; Y5-N24 HydrophobicContact CD1-CB 4.08Å; Y5-N24 HydrophobicContact CE1-CB 3.86Å; N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 2.59Å; N24-D26 PolarHBondContact OD1-N 2.91Å; N24-T27 WeakPolarHBondContact CB-OG1 3.41Å; N24-T27 PolarHBondContact ND2-OG1 3.31Å; N24-G28 VanDerWaalsContact O-CA 3.23Å; N24-G28 WeakPolarHBondContact O-CA 3.24Å; N24-G28 PolarHBondContact O-N 3.46Å; N24-Q29 HydrophobicContact CB-CB 4.37Å; N24-Q29 PolarHBondContact N-O 3.25Å
25R95.9Very high92.8Very high120 Ų12049.8 Ų49.845%0.45326%0.26SS..THydrogen-bonded Turntrans-66-29.8-176.9-65.5-166.7-172.8-92.110.9112.6E3 K4 E6 R23E3-R25 WeakPolarHBondContact O-CD 3.45Å; E3-R25 WeakPolarHBondContact O-CG 3.5Å; E3-R25 PolarHBondContact O-NE 3.3Å; E3-R25 IonicContact OE2-CZ 2.7Å; E3-R25 IonicContact OE2-NE 3.57Å; E3-R25 IonicContact OE2-NH2 2.85Å; E3-R25 PolarHBondContact OE2-NH2 2.9Å; K4-R25 PolarHBondContact O-N 2.85Å; E6-R25 HydrophobicContact CB-CG 4.18Å; E6-R25 IonicContact OE1-NH1 2.75Å; E6-R25 PolarHBondContact OE1-NH1 3.01Å; R23-R25 PolarHBondContact O-N 3.15Å
26D94.2Very high93.6Very high128 Ų12845.2 Ų45.268%0.68423%0.228SC*.THydrogen-bonded Turntrans-79.1-37.3-175.8-54.8-34.8000111.6N24N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 2.59Å; N24-D26 PolarHBondContact OD1-N 2.91Å
27T95.8Very high93.9Very high90 Ų9045.8 Ų45.855%0.55223%0.234SC*.THydrogen-bonded Turntrans-111-10.1-173.166.40000114.2N24 Q29N24-T27 WeakPolarHBondContact CB-OG1 3.41Å; N24-T27 PolarHBondContact ND2-OG1 3.31Å; T27-Q29 PolarHBondContact O-N 3.32Å; T27-Q29 VanDerWaalsContact O-N 3.15Å; T27-Q29 VanDerWaalsContact OG1-CB 3.24Å; T27-Q29 WeakPolarHBondContact OG1-CB 3.5Å; T27-Q29 PolarHBondContact OG1-N 2.88Å
28G95.8Very high93.6Very high43 Ų4350.5 Ų50.544%0.44326%0.255SS..  trans69.6-2-170.200000114.5N24 I30N24-G28 VanDerWaalsContact O-CA 3.23Å; N24-G28 WeakPolarHBondContact O-CA 3.24Å; N24-G28 PolarHBondContact O-N 3.46Å; G28-I30 PolarHBondContact O-N 2.81Å
29Q96.6Very high92.8Very high94 Ų9451.4 Ų51.444%0.43926%0.262SS..  trans-64.8132.8-176-173.6-177.318.500111.6R23 N24 T27 V31R23-Q29 WeakPolarHBondContact CA-O 3.1Å; N24-Q29 HydrophobicContact CB-CB 4.37Å; N24-Q29 PolarHBondContact N-O 3.25Å; T27-Q29 PolarHBondContact O-N 3.32Å; T27-Q29 VanDerWaalsContact O-N 3.15Å; T27-Q29 VanDerWaalsContact OG1-CB 3.24Å; T27-Q29 WeakPolarHBondContact OG1-CB 3.5Å; T27-Q29 PolarHBondContact OG1-N 2.88Å; Q29-V31 HydrophobicContact CG-CG1 4.25Å
30I97.7Very high91.6Very high53 Ų5351.9 Ų51.927%0.27226%0.262SS..EExtended strand (participates in β ladder)trans-81.2131.4171.5-55-57.4000109.6I8 K21 C22 R23 G28 Y83I8-I30 HydrophobicContact CD1-CD1 3.74Å; K21-I30 HydrophobicContact CD-CG2 4.36Å; K21-I30 HydrophobicContact CG-CG2 3.89Å; C22-I30 WeakPolarHBondContact O-CA 3.31Å; R23-I30 HydrophobicContact CB-CD1 4.07Å; R23-I30 HydrophobicContact CG-CD1 4.2Å; G28-I30 PolarHBondContact O-N 2.81Å; I30-Y83 HydrophobicContact CG2-CD1 3.88Å; I30-Y83 HydrophobicContact CG2-CD2 4Å; I30-Y83 HydrophobicContact CG2-CE1 4.49Å; I30-Y83 HydrophobicContact CG2-CG 3.61Å; I30-Y83 WeakPolarHBondContact O-CB 3.45Å
31V97.3Very high90.8Very high0 Ų055.6 Ų55.60%028%0.283CS..EExtended strand (participates in β ladder)trans-133.5158.7-178.1-620000111Y5 C22 Q29 I33 L68 V80 F81Y5-V31 HydrophobicContact CD1-CG2 3.7Å; Y5-V31 HydrophobicContact CE1-CG1 4.47Å; Y5-V31 HydrophobicContact CE1-CG2 3.74Å; C22-V31 HydrophobicContact CB-CG2 3.95Å; C22-V31 PolarHBondContact N-O 3.02Å; C22-V31 PolarHBondContact O-N 2.81Å; Q29-V31 HydrophobicContact CG-CG1 4.25Å; V31-I33 HydrophobicContact CG2-CD1 4.25Å; V31-I33 HydrophobicContact CG2-CG1 4.01Å; V31-L68 HydrophobicContact CG1-CD1 3.92Å; V31-V80 HydrophobicContact CB-CG1 3.83Å; V31-V80 HydrophobicContact CG1-CG1 4.06Å; V31-V80 HydrophobicContact CG2-CG1 3.92Å; V31-F81 WeakPolarHBondContact CA-O 3.36Å; V31-F81 WeakPolarHBondContact CB-O 3.11Å
32A97.3Very high89.9Confident11 Ų1155.6 Ų55.69%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-103.4125.8168.400000109.4I11 V19 F20 F81I11-A32 HydrophobicContact CD1-CB 4.07Å; V19-A32 HydrophobicContact CG1-CB 4.16Å; F20-A32 CarbonylContact O-C 3.56Å; F20-A32 WeakPolarHBondContact O-CA 3.29Å; A32-F81 HydrophobicContact CB-CB 4.41Å; A32-F81 PolarHBondContact N-O 3.34Å; A32-F81 PolarHBondContact O-N 3.38Å
33I95.7Very high89.1Confident8 Ų859.9 Ų59.94%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-113.2110.2178.6-54.7-171.3000109.4Y5 V19 F20 C22 V31 K35 F71 H78 L79 V80Y5-I33 HydrophobicContact CD1-CD1 3.96Å; Y5-I33 HydrophobicContact CD2-CD1 3.85Å; Y5-I33 HydrophobicContact CE2-CD1 4.47Å; Y5-I33 HydrophobicContact CG-CD1 3.56Å; V19-I33 WeakPolarHBondContact CA-O 3.44Å; F20-I33 PolarHBondContact N-O 2.91Å; F20-I33 PolarHBondContact O-N 2.84Å; C22-I33 HydrophobicContact CB-CD1 3.82Å; C22-I33 HydrophobicContact CB-CG1 4.1Å; V31-I33 HydrophobicContact CG2-CD1 4.25Å; V31-I33 HydrophobicContact CG2-CG1 4.01Å; I33-K35 PolarHBondContact O-N 3.09Å; I33-F71 HydrophobicContact CD1-CE1 4.45Å; I33-F71 HydrophobicContact CG2-CZ 4.44Å; I33-H78 HydrophobicContact CG2-CB 3.95Å; I33-L79 CarbonylContact C-O 3.52Å; I33-L79 WeakPolarHBondContact CA-O 3.41Å; I33-V80 HydrophobicContact CD1-CG2 4.21Å; I33-V80 HydrophobicContact CG1-CG1 4.29Å; I33-V80 HydrophobicContact CG1-CG2 4.19Å
34K93.5Very high88.3Confident23 Ų2359 Ų5910%0.132%0.32CS..EExtended strand (participates in β ladder)trans-82.3110.1170.7-173.1177.4-174.5-178.90108.2V19 F36 E52 H78 L79 F81 D145V19-K34 HydrophobicContact CG2-CB 4.24Å; V19-K34 HydrophobicContact CG2-CG 4.17Å; K34-F36 HydrophobicContact CD-CE2 4.34Å; K34-F36 HydrophobicContact CD-CZ 4.36Å; K34-F36 HydrophobicContact CG-CE2 4.37Å; K34-E52 VanDerWaalsContact NZ-CD 3.34Å; K34-E52 IonicContact NZ-OE1 2.64Å; K34-E52 PolarHBondContact NZ-OE1 3.14Å; K34-E52 IonicContact NZ-OE2 3.22Å; K34-E52 PolarHBondContact NZ-OE2 2.84Å; K34-H78 WeakPolarHBondContact O-CA 3.43Å; K34-L79 PolarHBondContact N-O 3.05Å; K34-L79 PolarHBondContact O-N 3.38Å; K34-F81 HydrophobicContact CB-CD2 4.44Å; K34-F81 HydrophobicContact CB-CE2 3.81Å; K34-F81 HydrophobicContact CD-CE2 4.38Å; K34-D145 IonicContact NZ-OD1 3.34Å; K34-D145 PolarHBondContact NZ-OD1 2.81Å; K34-D145 VanDerWaalsContact NZ-OD1 3.1Å
35K92.3Very high87.3Confident65 Ų6559 Ų5928%0.28332%0.319SS..EExtended strand (participates in β ladder)trans-96.4118.9174174.8-177.4176.4-164.20108.8G17 V18 F20 I33 H78G17-K35 CarbonylContact C-O 3.39Å; G17-K35 WeakPolarHBondContact CA-O 3.49Å; V18-K35 PolarHBondContact N-O 2.79Å; V18-K35 PolarHBondContact O-N 2.8Å; F20-K35 HydrophobicContact CD2-CB 4.45Å; F20-K35 HydrophobicContact CE2-CB 4.25Å; F20-K35 HydrophobicContact CE2-CD 4.22Å; I33-K35 PolarHBondContact O-N 3.09Å; K35-H78 WeakPolarHBondContact CG-NE2 3.21Å
36F87.1Confident86.6Confident1 Ų158.2 Ų58.20%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-68.8138173.6-74.5-97.5000110.6Y16 K34 I45 A49 R76 L77 L79Y16-F36 WeakPolarHBondContact O-CA 3.42Å; K34-F36 HydrophobicContact CD-CE2 4.34Å; K34-F36 HydrophobicContact CD-CZ 4.36Å; K34-F36 HydrophobicContact CG-CE2 4.37Å; F36-I45 HydrophobicContact CB-CG2 4.48Å; F36-I45 HydrophobicContact CD1-CG2 3.86Å; F36-A49 HydrophobicContact CE1-CB 4.01Å; F36-A49 HydrophobicContact CE2-CB 4.28Å; F36-A49 HydrophobicContact CZ-CB 3.86Å; F36-R76 WeakPolarHBondContact O-CD 3.5Å; F36-L77 HydrophobicContact CD2-CB 4.16Å; F36-L77 HydrophobicContact CD2-CD2 4.26Å; F36-L77 HydrophobicContact CD2-CG 4.47Å; F36-L77 HydrophobicContact CE2-CD2 4.31Å; F36-L77 PolarHBondContact N-O 3.04Å; F36-L77 VanDerWaalsContact N-O 3.09Å; F36-L79 HydrophobicContact CD2-CD1 4.35Å; F36-L79 HydrophobicContact CE2-CD1 3.78Å; F36-L79 HydrophobicContact CE2-CD2 4.18Å; F36-L79 HydrophobicContact CE2-CG 4.5Å
37L80.4Confident86.1Confident66 Ų6658.2 Ų58.235%0.34631%0.313SS..SBendtrans-73.4-47.6-176-78.5175000111.5Y16 V18 R76Y16-L37 PolarHBondContact O-N 3.09Å; V18-L37 HydrophobicContact CG2-CD2 3.85Å; V18-L37 HydrophobicContact CG2-CG 4.4Å; L37-R76 PolarHBondContact O-NE 2.78Å; L37-R76 PolarHBondContact O-NH1 3.45Å; L37-R76 PolarHBondContact O-NH2 3.25Å
38E78.5Confident85.4Confident103 Ų10354.6 Ų54.648%0.48129%0.29SS..SBendtrans-90.5163.6-179.8-73.1179178.200112I45E38-I45 HydrophobicContact CB-CD1 4.45Å; E38-I45 HydrophobicContact CB-CG1 3.92Å; E38-I45 VanDerWaalsContact OE2-CG1 3.31Å; E38-I45 WeakPolarHBondContact OE2-CG1 3.26Å
39S74.2Confident84.7Confident32 Ų3252.5 Ų52.522%0.22427%0.269CS..  trans-71.6153175.1-173.20000110.2D41 D42S39-D41 WeakPolarHBondContact CB-OD2 3.38Å; S39-D41 PolarHBondContact O-N 2.69Å; S39-D41 VanDerWaalsContact O-N 3.08Å; S39-D41 VanDerWaalsContact OG-CG 3.23Å; S39-D41 PolarHBondContact OG-N 3.34Å; S39-D41 PolarHBondContact OG-OD2 3.23Å; S39-D42 PolarHBondContact O-N 3.06Å
40E67.8Low84.1Confident46 Ų4652 Ų5222%0.21527%0.268CS..THydrogen-bonded Turntrans-66.1-3.1168-61.2178.113700113D42 K46 L77E40-D42 PolarHBondContact O-N 2.84Å; E40-K46 WeakPolarHBondContact O-CB 3.33Å; E40-K46 WeakPolarHBondContact O-CD 3.22Å; E40-L77 HydrophobicContact CG-CB 4.15Å; E40-L77 VanDerWaalsContact OE1-CD1 3.28Å; E40-L77 WeakPolarHBondContact OE1-CD1 3.3Å; E40-L77 VanDerWaalsContact OE1-CD2 3.31Å; E40-L77 WeakPolarHBondContact OE1-CD2 3.47Å
41D78.1Confident83.4Confident108 Ų10851.8 Ų51.858%0.57826%0.264SS*.THydrogen-bonded Turntrans-67.2-24.4168.3-55.1-51.9000111.3S39 P43 R75S39-D41 WeakPolarHBondContact CB-OD2 3.38Å; S39-D41 PolarHBondContact O-N 2.69Å; S39-D41 VanDerWaalsContact O-N 3.08Å; S39-D41 VanDerWaalsContact OG-CG 3.23Å; S39-D41 PolarHBondContact OG-N 3.34Å; S39-D41 PolarHBondContact OG-OD2 3.23Å; D41-P43 WeakPolarHBondContact O-CD 3.48Å; D41-R75 IonicContact OD1-NH2 2.69Å; D41-R75 IonicContact OD2-CZ 3.09Å; D41-R75 IonicContact OD2-NE 3.97Å; D41-R75 IonicContact OD2-NH2 3.06Å; D41-R75 PolarHBondContact OD2-NH2 3.41Å
42D79.6Confident82.8Confident56 Ų5651.9 Ų51.930%0.29927%0.265SS..SBendtrans-72.5119.8169.3-175.1-63.4000109.7S39 E40 V44 I45 K46S39-D42 PolarHBondContact O-N 3.06Å; E40-D42 PolarHBondContact O-N 2.84Å; D42-V44 VanDerWaalsContact C-N 3.28Å; D42-V44 PolarHBondContact O-N 3.15Å; D42-V44 WeakPolarHBondContact OD1-CA 3.47Å; D42-V44 WeakPolarHBondContact OD1-CB 3.49Å; D42-V44 PolarHBondContact OD1-N 2.64Å; D42-I45 HydrophobicContact CB-CB 4.07Å; D42-I45 HydrophobicContact CB-CG1 3.88Å; D42-I45 PolarHBondContact O-N 3.12Å; D42-I45 PolarHBondContact OD1-N 2.96Å; D42-I45 VanDerWaalsContact OD1-N 3.08Å; D42-K46 WeakPolarHBondContact O-CB 3.38Å; D42-K46 PolarHBondContact O-N 3.25Å
43P80.7Confident82.4Confident98 Ų9852.3 Ų52.364%0.63627%0.265SS*.Hα-helixtrans-66.1-29.1-175.126.8-34.2000113.1D41 K47D41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-K47 VanDerWaalsContact O-CB 3.28Å; P43-K47 WeakPolarHBondContact O-CB 3.36Å; P43-K47 PolarHBondContact O-N 2.96Å
44V79Confident82Confident86 Ų8659 Ų5952%0.52129%0.29SS..Hα-helixtrans-69.8-49.8177.4-178.70000109.5D42 K46 K47 I48D42-V44 VanDerWaalsContact C-N 3.28Å; D42-V44 PolarHBondContact O-N 3.15Å; D42-V44 WeakPolarHBondContact OD1-CA 3.47Å; D42-V44 WeakPolarHBondContact OD1-CB 3.49Å; D42-V44 PolarHBondContact OD1-N 2.64Å; V44-K46 PolarHBondContact O-N 3.09Å; V44-K47 PolarHBondContact O-N 3.44Å; V44-I48 HydrophobicContact CG1-CD1 3.97Å; V44-I48 WeakPolarHBondContact O-CG1 3.46Å; V44-I48 PolarHBondContact O-N 3.21Å
45I76.6Confident81.7Confident7 Ų758.1 Ų58.14%0.03629%0.287CS..Hα-helixtrans-62.5-45.2179.2-60.1-67.1000110.8Y16 F36 E38 D42 K47 I48 A49Y16-I45 HydrophobicContact CD1-CD1 3.59Å; Y16-I45 HydrophobicContact CE1-CD1 4.46Å; Y16-I45 HydrophobicContact CG-CD1 4.32Å; F36-I45 HydrophobicContact CB-CG2 4.48Å; F36-I45 HydrophobicContact CD1-CG2 3.86Å; E38-I45 HydrophobicContact CB-CD1 4.45Å; E38-I45 HydrophobicContact CB-CG1 3.92Å; E38-I45 VanDerWaalsContact OE2-CG1 3.31Å; E38-I45 WeakPolarHBondContact OE2-CG1 3.26Å; D42-I45 HydrophobicContact CB-CB 4.07Å; D42-I45 HydrophobicContact CB-CG1 3.88Å; D42-I45 PolarHBondContact O-N 3.12Å; D42-I45 PolarHBondContact OD1-N 2.96Å; D42-I45 VanDerWaalsContact OD1-N 3.08Å; I45-K47 VanDerWaalsContact C-N 3.31Å; I45-K47 PolarHBondContact O-N 2.96Å; I45-I48 PolarHBondContact O-N 3.36Å; I45-A49 VanDerWaalsContact O-CB 3.3Å; I45-A49 WeakPolarHBondContact O-CB 3.13Å; I45-A49 PolarHBondContact O-N 2.95Å
46K81.5Confident81.5Confident105 Ų10555 Ų5546%0.45727%0.273SS..Hα-helixtrans-57.3-44.2175.4-171.4176.3-174.51700111.7E40 D42 V44 L50E40-K46 WeakPolarHBondContact O-CB 3.33Å; E40-K46 WeakPolarHBondContact O-CD 3.22Å; D42-K46 WeakPolarHBondContact O-CB 3.38Å; D42-K46 PolarHBondContact O-N 3.25Å; V44-K46 PolarHBondContact O-N 3.09Å; K46-L50 HydrophobicContact CG-CD1 3.82Å; K46-L50 HydrophobicContact CG-CG 4.28Å; K46-L50 VanDerWaalsContact O-CB 3.28Å; K46-L50 WeakPolarHBondContact O-CB 3.47Å; K46-L50 VanDerWaalsContact O-CG 3.23Å; K46-L50 WeakPolarHBondContact O-CG 3.38Å; K46-L50 PolarHBondContact O-N 2.83Å
47K82.9Confident81.6Confident128 Ų12861.8 Ų61.856%0.55730%0.302SS*.Hα-helixtrans-64.4-44.6179-172.5178.8-177.7176.40112P43 V44 I45 R51P43-K47 VanDerWaalsContact O-CB 3.28Å; P43-K47 WeakPolarHBondContact O-CB 3.36Å; P43-K47 PolarHBondContact O-N 2.96Å; V44-K47 PolarHBondContact O-N 3.44Å; I45-K47 VanDerWaalsContact C-N 3.31Å; I45-K47 PolarHBondContact O-N 2.96Å; K47-R51 VanDerWaalsContact O-CB 3.23Å; K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 2.93Å; K47-R51 VanDerWaalsContact O-N 3.1Å
48I80.6Confident82Confident13 Ų1364.4 Ų64.47%0.06731%0.313CS..Hα-helixtrans-62.1-50.7177.7-68.6170.1000110.1Y16 V44 I45 R51 E52Y16-I48 HydrophobicContact CD1-CD1 3.94Å; Y16-I48 HydrophobicContact CD2-CD1 4.31Å; Y16-I48 HydrophobicContact CE1-CD1 3.6Å; Y16-I48 HydrophobicContact CE2-CD1 4.01Å; Y16-I48 HydrophobicContact CG-CD1 4.26Å; V44-I48 HydrophobicContact CG1-CD1 3.97Å; V44-I48 WeakPolarHBondContact O-CG1 3.46Å; V44-I48 PolarHBondContact O-N 3.21Å; I45-I48 PolarHBondContact O-N 3.36Å; I48-R51 PolarHBondContact O-N 2.84Å; I48-E52 PolarHBondContact O-N 3.09Å
49A80.8Confident82.6Confident0 Ų059.9 Ų59.90%029%0.292CS..Hα-helixtrans-63.1-47.7-178.400000113F36 I45 R51 E52 I53 L77F36-A49 HydrophobicContact CE1-CB 4.01Å; F36-A49 HydrophobicContact CE2-CB 4.28Å; F36-A49 HydrophobicContact CZ-CB 3.86Å; I45-A49 VanDerWaalsContact O-CB 3.3Å; I45-A49 WeakPolarHBondContact O-CB 3.13Å; I45-A49 PolarHBondContact O-N 2.95Å; A49-R51 VanDerWaalsContact C-N 3.28Å; A49-R51 PolarHBondContact O-N 2.89Å; A49-E52 PolarHBondContact O-N 3.04Å; A49-I53 VanDerWaalsContact O-CG1 3.32Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.4Å; A49-L77 HydrophobicContact CB-CD2 3.52Å
50L84.4Confident83.6Confident82 Ų8263 Ų6343%0.42930%0.302SS..Hα-helixtrans-63.9-35.4179.2-73.3177.8000112.2K46 R54K46-L50 HydrophobicContact CG-CD1 3.82Å; K46-L50 HydrophobicContact CG-CG 4.28Å; K46-L50 VanDerWaalsContact O-CB 3.28Å; K46-L50 WeakPolarHBondContact O-CB 3.47Å; K46-L50 VanDerWaalsContact O-CG 3.23Å; K46-L50 WeakPolarHBondContact O-CG 3.38Å; K46-L50 PolarHBondContact O-N 2.83Å; L50-R54 VanDerWaalsContact O-CB 3.24Å; L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 PolarHBondContact O-N 3.27Å
51R83.6Confident85.1Confident49 Ų4962.9 Ų62.919%0.18530%0.301CS..Hα-helixtrans-64.2-50.4173.4173.3-172.3-79.2173.1-1.4110.9K47 I48 A49 I53 R54 M55 G147 A149K47-R51 VanDerWaalsContact O-CB 3.23Å; K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 2.93Å; K47-R51 VanDerWaalsContact O-N 3.1Å; I48-R51 PolarHBondContact O-N 2.84Å; A49-R51 VanDerWaalsContact C-N 3.28Å; A49-R51 PolarHBondContact O-N 2.89Å; R51-I53 VanDerWaalsContact C-N 3.32Å; R51-I53 PolarHBondContact O-N 3.18Å; R51-R54 PolarHBondContact O-N 2.97Å; R51-M55 HydrophobicContact CG-CG 4.43Å; R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 2.92Å; R51-G147 WeakPolarHBondContact CD-O 3.46Å; R51-G147 PolarHBondContact NH1-O 2.98Å; R51-A149 WeakPolarHBondContact CD-O 3.5Å; R51-A149 PolarHBondContact NE-O 3.23Å
52E84.6Confident86Confident3 Ų362 Ų621%0.01430%0.301CS..Hα-helixtrans-57.5-45.7178.6-170.5171.8-176.900111K34 I48 A49 M55 L56 L79 F146K34-E52 VanDerWaalsContact NZ-CD 3.34Å; K34-E52 IonicContact NZ-OE1 2.64Å; K34-E52 PolarHBondContact NZ-OE1 3.14Å; K34-E52 IonicContact NZ-OE2 3.22Å; K34-E52 PolarHBondContact NZ-OE2 2.84Å; I48-E52 PolarHBondContact O-N 3.09Å; A49-E52 PolarHBondContact O-N 3.04Å; E52-M55 PolarHBondContact O-N 3.37Å; E52-L56 HydrophobicContact CG-CD1 3.9Å; E52-L56 WeakPolarHBondContact O-CB 3.47Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 2.9Å; E52-L79 HydrophobicContact CG-CD2 4.12Å; E52-F146 HydrophobicContact CG-CB 4.46Å
53I87.6Confident86.9Confident19 Ų1959.7 Ų59.710%0.09729%0.289CS..Hα-helixtrans-60.9-47.4175.4-68.1166.7000111.5A49 R51 L56 K57 L67 V70 L77 L79A49-I53 VanDerWaalsContact O-CG1 3.32Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.4Å; R51-I53 VanDerWaalsContact C-N 3.32Å; R51-I53 PolarHBondContact O-N 3.18Å; I53-L56 PolarHBondContact O-N 3.48Å; I53-K57 HydrophobicContact CG2-CD 3.98Å; I53-K57 HydrophobicContact CG2-CG 4.34Å; I53-K57 WeakPolarHBondContact O-CB 3.26Å; I53-K57 WeakPolarHBondContact O-CG 3.5Å; I53-K57 PolarHBondContact O-N 2.95Å; I53-L67 HydrophobicContact CG1-CD2 4.49Å; I53-L67 HydrophobicContact CG2-CD2 4.44Å; I53-V70 HydrophobicContact CD1-CG1 3.87Å; I53-V70 HydrophobicContact CD1-CG2 4.16Å; I53-V70 HydrophobicContact CG1-CG2 4.06Å; I53-V70 HydrophobicContact CG2-CG2 4.46Å; I53-L77 HydrophobicContact CD1-CD2 3.92Å; I53-L79 HydrophobicContact CD1-CD1 4.15Å; I53-L79 HydrophobicContact CG1-CD1 4.25Å; I53-L79 HydrophobicContact CG1-CD2 3.99Å; I53-L79 HydrophobicContact CG1-CG 4.18Å
54R88.6Confident87.7Confident148 Ų14855.2 Ų55.256%0.55826%0.259SS*.Hα-helixtrans-61.9-46.8-178.4-175.9-177.2-64.5168.3-0.6111L50 R51 Q58L50-R54 VanDerWaalsContact O-CB 3.24Å; L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 PolarHBondContact O-N 3.27Å; R51-R54 PolarHBondContact O-N 2.97Å; R54-Q58 WeakPolarHBondContact O-CG 3.39Å; R54-Q58 PolarHBondContact O-N 2.98Å
55M86.9Confident88.6Confident6 Ų651.4 Ų51.43%0.0324%0.236CC..Hα-helixtrans-60.6-52.4178-67.9-52.4109.500110.6R51 E52 K57 Q58 L59 F146 A149 L151R51-M55 HydrophobicContact CG-CG 4.43Å; R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 2.92Å; E52-M55 PolarHBondContact O-N 3.37Å; M55-K57 VanDerWaalsContact C-N 3.3Å; M55-K57 PolarHBondContact O-N 2.91Å; M55-Q58 PolarHBondContact O-N 2.87Å; M55-Q58 VanDerWaalsContact O-N 3.08Å; M55-L59 HydrophobicContact CB-CD1 4.31Å; M55-L59 WeakPolarHBondContact O-CB 3.42Å; M55-L59 WeakPolarHBondContact O-CG 3.48Å; M55-L59 PolarHBondContact O-N 3.03Å; M55-L59 HydrophobicContact SD-CD1 4.5Å; M55-F146 HydrophobicContact CB-CB 3.94Å; M55-F146 HydrophobicContact CB-CD1 4.08Å; M55-F146 HydrophobicContact CB-CG 4.22Å; M55-F146 HydrophobicContact CG-CB 4.27Å; M55-F146 HydrophobicContact CG-CD1 4.4Å; M55-A149 HydrophobicContact CG-CB 4.2Å; M55-L151 HydrophobicContact CE-CD1 3.7Å; M55-L151 HydrophobicContact CE-CD2 3.76Å; M55-L151 HydrophobicContact CE-CG 3.53Å; M55-L151 HydrophobicContact SD-CD2 3.79Å; M55-L151 HydrophobicContact SD-CG 4.1Å
56L88.1Confident89.5Confident0 Ų054 Ų540%025%0.25CC..Hα-helixtrans-75.5-14.5-173.8-67.7174.3000114.5E52 I53 K60 V65 L67 F81 F146E52-L56 HydrophobicContact CG-CD1 3.9Å; E52-L56 WeakPolarHBondContact O-CB 3.47Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 2.9Å; I53-L56 PolarHBondContact O-N 3.48Å; L56-K60 VanDerWaalsContact O-CE 3.3Å; L56-K60 WeakPolarHBondContact O-CE 3.45Å; L56-K60 PolarHBondContact O-NZ 3.32Å; L56-V65 HydrophobicContact CD1-CG1 4.43Å; L56-V65 HydrophobicContact CD2-CG1 4.22Å; L56-L67 HydrophobicContact CB-CB 3.79Å; L56-L67 HydrophobicContact CB-CD2 4.12Å; L56-L67 HydrophobicContact CD1-CB 4.43Å; L56-F81 HydrophobicContact CD1-CD1 4.44Å; L56-F81 HydrophobicContact CD1-CE1 3.5Å; L56-F81 VanDerWaalsContact CD1-CE1 3.5Å; L56-F81 HydrophobicContact CD1-CZ 4.16Å; L56-F146 HydrophobicContact CD1-CD2 4.44Å; L56-F146 HydrophobicContact CD2-CD2 3.52Å; L56-F146 HydrophobicContact CD2-CE2 3.76Å; L56-F146 HydrophobicContact CD2-CG 4.23Å; L56-F146 HydrophobicContact CG-CD2 4.07Å; L56-F146 HydrophobicContact CG-CG 4.44Å
57K89Confident90.1Very high142 Ų14249.6 Ų49.662%0.61723%0.232SC*.Hα-helixtrans-75.5-35.7166.4-80.5-174.5174.4-176.30112.3I53 M55 L67I53-K57 HydrophobicContact CG2-CD 3.98Å; I53-K57 HydrophobicContact CG2-CG 4.34Å; I53-K57 WeakPolarHBondContact O-CB 3.26Å; I53-K57 WeakPolarHBondContact O-CG 3.5Å; I53-K57 PolarHBondContact O-N 2.95Å; M55-K57 VanDerWaalsContact C-N 3.3Å; M55-K57 PolarHBondContact O-N 2.91Å; K57-L67 HydrophobicContact CG-CD2 4.46Å
58Q88.9Confident90.7Very high122 Ų12246.9 Ų46.957%0.5722%0.222SC*.Hα-helixtrans-89-38-176.3-68.6177.2-9.400112.9R54 M55 K60R54-Q58 WeakPolarHBondContact O-CG 3.39Å; R54-Q58 PolarHBondContact O-N 2.98Å; M55-Q58 PolarHBondContact O-N 2.87Å; M55-Q58 VanDerWaalsContact O-N 3.08Å; Q58-K60 PolarHBondContact O-N 2.99Å
59L91.7Very high91.3Very high7 Ų749.1 Ų49.14%0.03723%0.233CC..  trans-92.3101.8-175.1-59.7177.1000109.9M55 L64 F117 H121 C123 F146M55-L59 HydrophobicContact CB-CD1 4.31Å; M55-L59 WeakPolarHBondContact O-CB 3.42Å; M55-L59 WeakPolarHBondContact O-CG 3.48Å; M55-L59 PolarHBondContact O-N 3.03Å; M55-L59 HydrophobicContact SD-CD1 4.5Å; L59-L64 HydrophobicContact CB-CD1 3.83Å; L59-F117 HydrophobicContact CB-CE1 4.02Å; L59-F117 HydrophobicContact CD2-CE1 3.89Å; L59-H121 HydrophobicContact CD2-CB 3.52Å; L59-C123 HydrophobicContact CD1-CB 4.08Å; L59-F146 HydrophobicContact CD1-CD1 4.3Å; L59-F146 HydrophobicContact CD1-CE1 3.91Å
60K95.4Very high91.9Very high99 Ų9951.5 Ų51.543%0.4325%0.247SC..  trans-117.4112.9176-61.2-57.5-172.7-172.20109.8L56 Q58 N66 L67 F117L56-K60 VanDerWaalsContact O-CE 3.3Å; L56-K60 WeakPolarHBondContact O-CE 3.45Å; L56-K60 PolarHBondContact O-NZ 3.32Å; Q58-K60 PolarHBondContact O-N 2.99Å; K60-N66 PolarHBondContact NZ-OD1 3.02Å; K60-L67 PolarHBondContact NZ-O 3.43Å; K60-F117 WeakPolarHBondContact O-CZ 3.31Å
61H97.8Very high92.3Very high43 Ų4350 Ų5020%0.19924%0.237CC..  trans-149.4147.3-177.5-176.9-96.7000109.9N63 L64 F117H61-N63 PolarHBondContact CE1-OD1 3.28Å; H61-N63 PolarHBondContact ND1-N 3.22Å; H61-N63 PolarHBondContact O-N 3.02Å; H61-N63 VanDerWaalsContact O-N 3.13Å; H61-L64 HydrophobicContact CB-CB 4.27Å; H61-L64 HydrophobicContact CB-CD1 4.05Å; H61-L64 HydrophobicContact CB-CG 3.91Å; H61-L64 PolarHBondContact O-N 3.3Å; H61-F117 HydrophobicContact CB-CD1 3.7Å; H61-F117 HydrophobicContact CB-CD2 4.17Å; H61-F117 HydrophobicContact CB-CE1 3.86Å; H61-F117 HydrophobicContact CB-CE2 4.3Å; H61-F117 HydrophobicContact CB-CG 3.86Å; H61-F117 HydrophobicContact CB-CZ 4.16Å; H61-F117 AromaticContact CD2-CD2 3.51Å; H61-F117 AromaticContact CD2-CG 3.62Å; H61-F117 AromaticContact CG-CG 3.8Å
62P97.8Very high92.6Very high88 Ų8855.5 Ų55.557%0.57126%0.258SS*.THydrogen-bonded Turntrans-52.8-35.5179.1-29.536.9000113.7K142P62-K142 VanDerWaalsContact O-CD 3.27Å; P62-K142 WeakPolarHBondContact O-CD 3.35Å; P62-K142 WeakPolarHBondContact O-CE 3.44Å; P62-K142 PolarHBondContact O-NZ 3.01Å
63N98.6Very high92.7Very high9 Ų961 Ų615%0.04828%0.279CS..THydrogen-bonded Turntrans-94.413.2179.9-55113.3000116.1H61 Q110 A114 I141 K142 L143H61-N63 PolarHBondContact CE1-OD1 3.28Å; H61-N63 PolarHBondContact ND1-N 3.22Å; H61-N63 PolarHBondContact O-N 3.02Å; H61-N63 VanDerWaalsContact O-N 3.13Å; N63-Q110 PolarHBondContact ND2-OE1 2.94Å; N63-A114 HydrophobicContact CB-CB 3.79Å; N63-A114 WeakPolarHBondContact O-CB 3.36Å; N63-I141 WeakPolarHBondContact CA-O 3.39Å; N63-I141 WeakPolarHBondContact CB-O 3.34Å; N63-I141 PolarHBondContact ND2-O 3.4Å; N63-K142 WeakPolarHBondContact O-CA 3.34Å; N63-L143 PolarHBondContact O-N 3.46Å
64L98Very high92.7Very high4 Ų468.7 Ų68.72%0.02131%0.312CS..BIsolated β-bridgetrans-111.5142.7170.6-65.2-174.3000110.1L59 H61 N66 A114 F117 K142 L143 F146L59-L64 HydrophobicContact CB-CD1 3.83Å; H61-L64 HydrophobicContact CB-CB 4.27Å; H61-L64 HydrophobicContact CB-CD1 4.05Å; H61-L64 HydrophobicContact CB-CG 3.91Å; H61-L64 PolarHBondContact O-N 3.3Å; L64-N66 PolarHBondContact O-N 3.37Å; L64-A114 HydrophobicContact CD2-CB 3.9Å; L64-F117 HydrophobicContact CD1-CD1 3.81Å; L64-F117 HydrophobicContact CD1-CE1 4.05Å; L64-K142 WeakPolarHBondContact O-CD 3.44Å; L64-L143 HydrophobicContact CD2-CB 3.81Å; L64-L143 HydrophobicContact CD2-CD2 4.25Å; L64-L143 HydrophobicContact CD2-CG 4.46Å; L64-F146 HydrophobicContact CD1-CZ 4.1Å; L64-F146 HydrophobicContact CD2-CE2 4.14Å; L64-F146 HydrophobicContact CD2-CZ 3.65Å; L64-F146 HydrophobicContact CG-CZ 4.42Å
65V96.8Very high92.6Very high6 Ų669.2 Ų69.24%0.03631%0.313CS..  trans-62.6131.5175.970.90000110.6L56 F81 E82 L134 K142 L143 C144L56-V65 HydrophobicContact CD1-CG1 4.43Å; L56-V65 HydrophobicContact CD2-CG1 4.22Å; V65-F81 HydrophobicContact CG1-CD1 4.39Å; V65-F81 HydrophobicContact CG2-CB 4.04Å; V65-F81 HydrophobicContact CG2-CD1 4.25Å; V65-F81 HydrophobicContact CG2-CG 4.4Å; V65-E82 HydrophobicContact CG2-CG 3.96Å; V65-L134 HydrophobicContact CG2-CD1 4.34Å; V65-K142 HydrophobicContact CB-CB 4.46Å; V65-L143 PolarHBondContact N-O 3.5Å; V65-C144 HydrophobicContact CB-CB 4.07Å; V65-C144 HydrophobicContact CG1-CB 3.6Å
66N95.1Very high92.6Very high60 Ų6073.1 Ų73.132%0.32133%0.328SS..  trans-86.3119.7-179.4-164.418.9000111.9K60 L64 L68 F81 E82K60-N66 PolarHBondContact NZ-OD1 3.02Å; L64-N66 PolarHBondContact O-N 3.37Å; N66-L68 HydrophobicContact CB-CD2 4.33Å; N66-L68 PolarHBondContact O-N 2.83Å; N66-F81 VanDerWaalsContact O-CA 3.3Å; N66-F81 WeakPolarHBondContact O-CA 3.44Å; N66-E82 HydrophobicContact CB-CG 4.17Å; N66-E82 VanDerWaalsContact CB-OE1 3.23Å; N66-E82 WeakPolarHBondContact CB-OE1 3.34Å; N66-E82 PolarHBondContact N-OE1 2.89Å; N66-E82 PolarHBondContact O-N 3.11Å
67L95.8Very high92.7Very high14 Ų1473.5 Ų73.57%0.07333%0.33CS..EExtended strand (participates in β ladder)trans-75.4114.7164.9179.468.2000109.5I53 L56 K57 K60 V70 L79 F81I53-L67 HydrophobicContact CG1-CD2 4.49Å; I53-L67 HydrophobicContact CG2-CD2 4.44Å; L56-L67 HydrophobicContact CB-CB 3.79Å; L56-L67 HydrophobicContact CB-CD2 4.12Å; L56-L67 HydrophobicContact CD1-CB 4.43Å; K57-L67 HydrophobicContact CG-CD2 4.46Å; K60-L67 PolarHBondContact NZ-O 3.43Å; L67-V70 HydrophobicContact CD1-CG2 4.04Å; L67-V70 HydrophobicContact CD2-CG2 3.9Å; L67-V70 HydrophobicContact CG-CG2 4.29Å; L67-L79 HydrophobicContact CD1-CB 3.87Å; L67-L79 HydrophobicContact CD1-CD2 4.41Å; L67-L79 HydrophobicContact CD1-CG 3.97Å; L67-F81 HydrophobicContact CB-CD1 4.13Å; L67-F81 HydrophobicContact CB-CE1 3.97Å; L67-F81 HydrophobicContact CD1-CD1 3.96Å; L67-F81 HydrophobicContact CD1-CE1 3.53Å; L67-F81 HydrophobicContact CD1-CZ 4.05Å; L67-F81 HydrophobicContact CG-CE1 4.33Å
68L94.9Very high92.8Very high70 Ų7067.7 Ų67.737%0.36631%0.305SS..EExtended strand (participates in β ladder)trans-90-45.7-176.6-54.6179.7000111.9V31 N66 V80V31-L68 HydrophobicContact CG1-CD1 3.92Å; N66-L68 HydrophobicContact CB-CD2 4.33Å; N66-L68 PolarHBondContact O-N 2.83Å; L68-V80 HydrophobicContact CB-CG1 4.41Å; L68-V80 WeakPolarHBondContact CB-O 3.39Å; L68-V80 HydrophobicContact CD1-CG1 4.46Å; L68-V80 PolarHBondContact N-O 3.4Å
69E93.8Very high93.1Very high61 Ų6161.9 Ų61.929%0.28528%0.278SS..EExtended strand (participates in β ladder)trans-153153-173.8-172.4176.8143.200110.8K4 Y5 V80K4-E69 IonicContact NZ-OE1 2.58Å; K4-E69 IonicContact NZ-OE2 2.8Å; K4-E69 PolarHBondContact NZ-OE2 2.88Å; Y5-E69 PolarHBondContact OH-OE2 2.98Å; E69-V80 HydrophobicContact CB-CB 4Å; E69-V80 HydrophobicContact CB-CG2 4.06Å; E69-V80 PolarHBondContact N-O 2.87Å; E69-V80 PolarHBondContact O-N 3.2Å
70V93.6Very high93.2Very high50 Ų5061.6 Ų61.630%0.30328%0.276SS..EExtended strand (participates in β ladder)trans-127.5131.4170.6-179.60000107.8I53 L67 L77 H78 L79I53-V70 HydrophobicContact CD1-CG1 3.87Å; I53-V70 HydrophobicContact CD1-CG2 4.16Å; I53-V70 HydrophobicContact CG1-CG2 4.06Å; I53-V70 HydrophobicContact CG2-CG2 4.46Å; L67-V70 HydrophobicContact CD1-CG2 4.04Å; L67-V70 HydrophobicContact CD2-CG2 3.9Å; L67-V70 HydrophobicContact CG-CG2 4.29Å; V70-L77 HydrophobicContact CG1-CD1 3.55Å; V70-L77 HydrophobicContact CG1-CG 4.38Å; V70-H78 WeakPolarHBondContact CA-O 3.36Å; V70-L79 HydrophobicContact CG1-CD1 4.25Å; V70-L79 HydrophobicContact CG2-CG 4.32Å
71F92.4Very high93.3Very high51 Ų5157.6 Ų57.622%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-144.7163.4174.768.9-94.1000111.9Y5 I33 R73 H78 V80Y5-F71 HydrophobicContact CD2-CE1 4Å; Y5-F71 HydrophobicContact CD2-CZ 4.39Å; Y5-F71 HydrophobicContact CE2-CD1 4.45Å; Y5-F71 AromaticContact CE2-CE1 3.95Å; Y5-F71 HydrophobicContact CE2-CE1 3.95Å; I33-F71 HydrophobicContact CD1-CE1 4.45Å; I33-F71 HydrophobicContact CG2-CZ 4.44Å; F71-R73 HydrophobicContact CD2-CB 4.34Å; F71-R73 HydrophobicContact CE2-CB 4.16Å; F71-H78 HydrophobicContact CD1-CB 4.13Å; F71-H78 HydrophobicContact CD2-CB 3.94Å; F71-H78 HydrophobicContact CE1-CB 3.73Å; F71-H78 HydrophobicContact CE2-CB 3.51Å; F71-H78 AromaticContact CE2-CD2 3.96Å; F71-H78 AromaticContact CE2-CG 3.49Å; F71-H78 VanDerWaalsContact CE2-CG 3.49Å; F71-H78 AromaticContact CE2-ND1 3.83Å; F71-H78 HydrophobicContact CG-CB 4.23Å; F71-H78 HydrophobicContact CZ-CB 3.39Å; F71-H78 AromaticContact CZ-CG 3.71Å; F71-H78 PolarHBondContact N-O 3.36Å; F71-H78 PolarHBondContact O-N 3.02Å; F71-V80 HydrophobicContact CD1-CG2 3.85Å; F71-V80 HydrophobicContact CE1-CG2 3.5Å; F71-V80 VanDerWaalsContact CE1-CG2 3.5Å
72R89.3Confident93.2Very high164 Ų16457.4 Ų57.462%0.61926%0.258SS*.EExtended strand (participates in β ladder)trans-115133.6178.2-168.9165.258.6121.9-0.4110.3R76R72-R76 WeakPolarHBondContact CA-O 3.29Å
73R87.5Confident93.2Very high117 Ų11755.8 Ų55.844%0.44224%0.241SC..EExtended strand (participates in β ladder)trans-142.7128.6175.4-176.2172180141.9-3.1109.9F71 R75 R76F71-R73 HydrophobicContact CD2-CB 4.34Å; F71-R73 HydrophobicContact CE2-CB 4.16Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 2.9Å; R73-R76 PolarHBondContact N-O 3.07Å; R73-R76 PolarHBondContact O-N 2.82Å
74K86.9Confident93.1Very high182 Ų18256 Ų5679%0.79124%0.243SC*.THydrogen-bonded Turntrans50.748.8-177.7-60.4-177.2176.5-1720112.3R76K74-R76 PolarHBondContact O-N 2.81Å; K74-R76 VanDerWaalsContact O-N 3.09Å
75R85.5Confident93Very high158 Ų15859.7 Ų59.760%0.59626%0.263SS*.THydrogen-bonded Turntrans59.511.8-176.7-57.5178.466.9143.41.4116D41 R73D41-R75 IonicContact OD1-NH2 2.69Å; D41-R75 IonicContact OD2-CZ 3.09Å; D41-R75 IonicContact OD2-NE 3.97Å; D41-R75 IonicContact OD2-NH2 3.06Å; D41-R75 PolarHBondContact OD2-NH2 3.41Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 2.9Å
76R86.9Confident93Very high89 Ų8961 Ų6134%0.33627%0.269SS..EExtended strand (participates in β ladder)trans-111.5139.2176.9-63.7-177.8-175.1-155.91.6110.9F36 L37 R72 R73 K74 H78F36-R76 WeakPolarHBondContact O-CD 3.5Å; L37-R76 PolarHBondContact O-NE 2.78Å; L37-R76 PolarHBondContact O-NH1 3.45Å; L37-R76 PolarHBondContact O-NH2 3.25Å; R72-R76 WeakPolarHBondContact CA-O 3.29Å; R73-R76 PolarHBondContact N-O 3.07Å; R73-R76 PolarHBondContact O-N 2.82Å; K74-R76 PolarHBondContact O-N 2.81Å; K74-R76 VanDerWaalsContact O-N 3.09Å; R76-H78 PolarHBondContact O-CE1 2.82Å; R76-H78 VanDerWaalsContact O-CE1 3.27Å; R76-H78 PolarHBondContact O-ND1 3.32Å
77L90.3Very high93.1Very high8 Ų859.1 Ų59.14%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-79.1140.4176.2-168.466.4000110.9F36 E40 A49 I53 V70 L79F36-L77 HydrophobicContact CD2-CB 4.16Å; F36-L77 HydrophobicContact CD2-CD2 4.26Å; F36-L77 HydrophobicContact CD2-CG 4.47Å; F36-L77 HydrophobicContact CE2-CD2 4.31Å; F36-L77 PolarHBondContact N-O 3.04Å; F36-L77 VanDerWaalsContact N-O 3.09Å; E40-L77 HydrophobicContact CG-CB 4.15Å; E40-L77 VanDerWaalsContact OE1-CD1 3.28Å; E40-L77 WeakPolarHBondContact OE1-CD1 3.3Å; E40-L77 VanDerWaalsContact OE1-CD2 3.31Å; E40-L77 WeakPolarHBondContact OE1-CD2 3.47Å; A49-L77 HydrophobicContact CB-CD2 3.52Å; I53-L77 HydrophobicContact CD1-CD2 3.92Å; V70-L77 HydrophobicContact CG1-CD1 3.55Å; V70-L77 HydrophobicContact CG1-CG 4.38Å; L77-L79 HydrophobicContact CD1-CD1 4.4Å; L77-L79 HydrophobicContact CD2-CD1 3.52Å; L77-L79 HydrophobicContact CG-CD1 3.59Å
78H92.6Very high93.2Very high20 Ų2058.4 Ų58.49%0.09326%0.255CS..EExtended strand (participates in β ladder)trans-130.2123.4177.1-59.668.3000108.5I33 K34 K35 V70 F71 R76I33-H78 HydrophobicContact CG2-CB 3.95Å; K34-H78 WeakPolarHBondContact O-CA 3.43Å; K35-H78 WeakPolarHBondContact CG-NE2 3.21Å; V70-H78 WeakPolarHBondContact CA-O 3.36Å; F71-H78 HydrophobicContact CD1-CB 4.13Å; F71-H78 HydrophobicContact CD2-CB 3.94Å; F71-H78 HydrophobicContact CE1-CB 3.73Å; F71-H78 HydrophobicContact CE2-CB 3.51Å; F71-H78 AromaticContact CE2-CD2 3.96Å; F71-H78 AromaticContact CE2-CG 3.49Å; F71-H78 VanDerWaalsContact CE2-CG 3.49Å; F71-H78 AromaticContact CE2-ND1 3.83Å; F71-H78 HydrophobicContact CG-CB 4.23Å; F71-H78 HydrophobicContact CZ-CB 3.39Å; F71-H78 AromaticContact CZ-CG 3.71Å; F71-H78 PolarHBondContact N-O 3.36Å; F71-H78 PolarHBondContact O-N 3.02Å; R76-H78 PolarHBondContact O-CE1 2.82Å; R76-H78 VanDerWaalsContact O-CE1 3.27Å; R76-H78 PolarHBondContact O-ND1 3.32Å
79L93.7Very high93.3Very high0 Ų057.7 Ų57.70%025%0.252CS..EExtended strand (participates in β ladder)trans-104.6125.8174-81.555.4000108I33 K34 F36 E52 I53 L67 V70 L77 F81I33-L79 CarbonylContact C-O 3.52Å; I33-L79 WeakPolarHBondContact CA-O 3.41Å; K34-L79 PolarHBondContact N-O 3.05Å; K34-L79 PolarHBondContact O-N 3.38Å; F36-L79 HydrophobicContact CD2-CD1 4.35Å; F36-L79 HydrophobicContact CE2-CD1 3.78Å; F36-L79 HydrophobicContact CE2-CD2 4.18Å; F36-L79 HydrophobicContact CE2-CG 4.5Å; E52-L79 HydrophobicContact CG-CD2 4.12Å; I53-L79 HydrophobicContact CD1-CD1 4.15Å; I53-L79 HydrophobicContact CG1-CD1 4.25Å; I53-L79 HydrophobicContact CG1-CD2 3.99Å; I53-L79 HydrophobicContact CG1-CG 4.18Å; L67-L79 HydrophobicContact CD1-CB 3.87Å; L67-L79 HydrophobicContact CD1-CD2 4.41Å; L67-L79 HydrophobicContact CD1-CG 3.97Å; V70-L79 HydrophobicContact CG1-CD1 4.25Å; V70-L79 HydrophobicContact CG2-CG 4.32Å; L77-L79 HydrophobicContact CD1-CD1 4.4Å; L77-L79 HydrophobicContact CD2-CD1 3.52Å; L77-L79 HydrophobicContact CG-CD1 3.59Å; L79-F81 HydrophobicContact CB-CD2 4.35Å; L79-F81 HydrophobicContact CB-CE1 4.4Å; L79-F81 HydrophobicContact CB-CE2 3.5Å; L79-F81 VanDerWaalsContact CB-CE2 3.5Å; L79-F81 HydrophobicContact CB-CZ 3.55Å; L79-F81 HydrophobicContact CD2-CE2 4.38Å; L79-F81 HydrophobicContact CD2-CZ 3.72Å; L79-F81 HydrophobicContact CG-CZ 4.2Å
80V95.8Very high93.4Very high0 Ų059.3 Ų59.30%026%0.259CS..EExtended strand (participates in β ladder)trans-101.3120.9179.5-172.40000109Y5 V31 I33 L68 E69 F71Y5-V80 HydrophobicContact CE1-CG1 4.09Å; Y5-V80 HydrophobicContact CE2-CG2 4.01Å; V31-V80 HydrophobicContact CB-CG1 3.83Å; V31-V80 HydrophobicContact CG1-CG1 4.06Å; V31-V80 HydrophobicContact CG2-CG1 3.92Å; I33-V80 HydrophobicContact CD1-CG2 4.21Å; I33-V80 HydrophobicContact CG1-CG1 4.29Å; I33-V80 HydrophobicContact CG1-CG2 4.19Å; L68-V80 HydrophobicContact CB-CG1 4.41Å; L68-V80 WeakPolarHBondContact CB-O 3.39Å; L68-V80 HydrophobicContact CD1-CG1 4.46Å; L68-V80 PolarHBondContact N-O 3.4Å; E69-V80 HydrophobicContact CB-CB 4Å; E69-V80 HydrophobicContact CB-CG2 4.06Å; E69-V80 PolarHBondContact N-O 2.87Å; E69-V80 PolarHBondContact O-N 3.2Å; F71-V80 HydrophobicContact CD1-CG2 3.85Å; F71-V80 HydrophobicContact CE1-CG2 3.5Å; F71-V80 VanDerWaalsContact CE1-CG2 3.5Å
81F96.5Very high93.6Very high15 Ų1557.3 Ų57.37%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-115.7161.1-179.3-58.2-75.9000111.6V31 A32 K34 L56 V65 N66 L67 L79V31-F81 WeakPolarHBondContact CA-O 3.36Å; V31-F81 WeakPolarHBondContact CB-O 3.11Å; A32-F81 HydrophobicContact CB-CB 4.41Å; A32-F81 PolarHBondContact N-O 3.34Å; A32-F81 PolarHBondContact O-N 3.38Å; K34-F81 HydrophobicContact CB-CD2 4.44Å; K34-F81 HydrophobicContact CB-CE2 3.81Å; K34-F81 HydrophobicContact CD-CE2 4.38Å; L56-F81 HydrophobicContact CD1-CD1 4.44Å; L56-F81 HydrophobicContact CD1-CE1 3.5Å; L56-F81 VanDerWaalsContact CD1-CE1 3.5Å; L56-F81 HydrophobicContact CD1-CZ 4.16Å; V65-F81 HydrophobicContact CG1-CD1 4.39Å; V65-F81 HydrophobicContact CG2-CB 4.04Å; V65-F81 HydrophobicContact CG2-CD1 4.25Å; V65-F81 HydrophobicContact CG2-CG 4.4Å; N66-F81 VanDerWaalsContact O-CA 3.3Å; N66-F81 WeakPolarHBondContact O-CA 3.44Å; L67-F81 HydrophobicContact CB-CD1 4.13Å; L67-F81 HydrophobicContact CB-CE1 3.97Å; L67-F81 HydrophobicContact CD1-CD1 3.96Å; L67-F81 HydrophobicContact CD1-CE1 3.53Å; L67-F81 HydrophobicContact CD1-CZ 4.05Å; L67-F81 HydrophobicContact CG-CE1 4.33Å; L79-F81 HydrophobicContact CB-CD2 4.35Å; L79-F81 HydrophobicContact CB-CE1 4.4Å; L79-F81 HydrophobicContact CB-CE2 3.5Å; L79-F81 VanDerWaalsContact CB-CE2 3.5Å; L79-F81 HydrophobicContact CB-CZ 3.55Å; L79-F81 HydrophobicContact CD2-CE2 4.38Å; L79-F81 HydrophobicContact CD2-CZ 3.72Å; L79-F81 HydrophobicContact CG-CZ 4.2Å
82E96.3Very high93.8Very high39 Ų3955.3 Ų55.318%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-56141.5160.668.2-179.9127.100110.4V65 N66 K142V65-E82 HydrophobicContact CG2-CG 3.96Å; N66-E82 HydrophobicContact CB-CG 4.17Å; N66-E82 VanDerWaalsContact CB-OE1 3.23Å; N66-E82 WeakPolarHBondContact CB-OE1 3.34Å; N66-E82 PolarHBondContact N-OE1 2.89Å; N66-E82 PolarHBondContact O-N 3.11Å; E82-K142 WeakPolarHBondContact OE1-CE 3.4Å; E82-K142 IonicContact OE1-NZ 3.98Å; E82-K142 PolarHBondContact OE1-NZ 3.23Å; E82-K142 WeakPolarHBondContact OE2-CE 3.49Å; E82-K142 IonicContact OE2-NZ 3.61Å; E82-K142 PolarHBondContact OE2-NZ 2.87Å
83Y97.1Very high94.1Very high54 Ų5452 Ų5221%0.21223%0.233CC..PPolyproline II helixtrans-83127.5176.6177.2-95.7000110.5I11 K21 I30I11-Y83 HydrophobicContact CD1-CD2 4.25Å; I11-Y83 HydrophobicContact CD1-CE2 4.01Å; K21-Y83 HydrophobicContact CB-CE2 4.2Å; K21-Y83 HydrophobicContact CD-CD2 4.37Å; K21-Y83 HydrophobicContact CD-CE2 3.64Å; K21-Y83 HydrophobicContact CG-CD2 4.05Å; K21-Y83 HydrophobicContact CG-CE2 3.76Å; K21-Y83 PolarHBondContact NZ-OH 2.88Å; I30-Y83 HydrophobicContact CG2-CD1 3.88Å; I30-Y83 HydrophobicContact CG2-CD2 4Å; I30-Y83 HydrophobicContact CG2-CE1 4.49Å; I30-Y83 HydrophobicContact CG2-CG 3.61Å; I30-Y83 WeakPolarHBondContact O-CB 3.45Å
84C97.2Very high94.6Very high13 Ų1353.3 Ų53.39%0.08824%0.237CC..PPolyproline II helixtrans-103150.6167.5-60.50000109.3L134C84-L134 HydrophobicContact CB-CB 3.56Å; C84-L134 HydrophobicContact CB-CD1 4.04Å; C84-L134 HydrophobicContact CB-CG 4.4Å
85D95.5Very high95Very high82 Ų8248.3 Ų48.344%0.43921%0.214SC..SBendtrans-78.1-41.9-166.7-161.771000112.4I135 K137D85-I135 PolarHBondContact N-O 3.32Å; D85-K137 HydrophobicContact CB-CB 4.43Å
86H95.6Very high95.4Very high35 Ų3547.8 Ų47.816%0.16222%0.218CC..EExtended strand (participates in β ladder)trans-155.2-170.2177.753.6-82.8000109.9H90 E91 I135H86-H90 HydrophobicContact CB-CB 4.02Å; H86-E91 IonicContact CD2-OE1 3.52Å; H86-E91 PolarHBondContact CD2-OE1 3.45Å; H86-E91 IonicContact CE1-OE1 3.63Å; H86-E91 IonicContact NE2-OE1 3.26Å; H86-E91 PolarHBondContact NE2-OE1 3.43Å; H86-I135 PolarHBondContact N-O 3.13Å; H86-I135 PolarHBondContact O-N 3.09Å
87T97.5Very high95.8Very high19 Ų1955.1 Ų55.112%0.11725%0.246CC..EExtended strand (participates in β ladder)trans-125.6168.4179.772.50000110.8L89 H90 E91 I133 L134T87-L89 PolarHBondContact O-N 2.86Å; T87-L89 WeakPolarHBondContact OG1-CB 3.46Å; T87-L89 PolarHBondContact OG1-N 3.01Å; T87-H90 PolarHBondContact N-ND1 3.44Å; T87-H90 VanDerWaalsContact N-ND1 3.14Å; T87-H90 WeakPolarHBondContact O-CB 3.38Å; T87-H90 PolarHBondContact O-N 3.49Å; T87-H90 PolarHBondContact OG1-ND1 3.06Å; T87-E91 PolarHBondContact O-N 3.09Å; T87-I133 CarbonylContact C-O 3.52Å; T87-I133 WeakPolarHBondContact CA-O 3.41Å; T87-L134 HydrophobicContact CG2-CD2 3.54Å
88V98.3Very high96Very high0 Ų055.7 Ų55.70%025%0.254CS..Hα-helixtrans-59.4-32172.2172.50000111.8H90 E91 L92 I107 P130 I133 I135 L196V88-H90 VanDerWaalsContact C-N 3.26Å; V88-H90 PolarHBondContact O-N 3.21Å; V88-E91 WeakPolarHBondContact O-CB 3.27Å; V88-E91 PolarHBondContact O-N 3.31Å; V88-L92 HydrophobicContact CG1-CD1 4.33Å; V88-L92 PolarHBondContact O-N 3.24Å; V88-I107 HydrophobicContact CG2-CD1 4.38Å; V88-I107 HydrophobicContact CG2-CG1 4.48Å; V88-I107 HydrophobicContact CG2-CG2 3.63Å; V88-P130 HydrophobicContact CB-CB 4.22Å; V88-P130 HydrophobicContact CG1-CB 4.04Å; V88-P130 PolarHBondContact N-O 3.22Å; V88-I133 HydrophobicContact CB-CB 4.19Å; V88-I133 HydrophobicContact CB-CG2 4.46Å; V88-I133 HydrophobicContact CG2-CB 3.67Å; V88-I133 HydrophobicContact CG2-CG2 3.43Å; V88-I133 VanDerWaalsContact CG2-CG2 3.43Å; V88-I133 PolarHBondContact N-O 2.87Å; V88-I135 HydrophobicContact CG2-CD1 3.95Å; V88-I135 HydrophobicContact CG2-CG1 4.24Å; V88-L196 HydrophobicContact CG1-CD2 3.67Å; V88-L196 HydrophobicContact CG1-CG 4.39Å
89L96.3Very high96.3Very high55 Ų5555.2 Ų55.229%0.28825%0.252SS..Hα-helixtrans-56.9-40.4172.5-176.764.7000112T87 E91 L92 D93 P130 E131T87-L89 PolarHBondContact O-N 2.86Å; T87-L89 WeakPolarHBondContact OG1-CB 3.46Å; T87-L89 PolarHBondContact OG1-N 3.01Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 3Å; L89-L92 WeakPolarHBondContact O-CB 3.23Å; L89-L92 PolarHBondContact O-N 3.19Å; L89-D93 PolarHBondContact O-N 2.72Å; L89-P130 HydrophobicContact CB-CB 4.04Å; L89-P130 PolarHBondContact N-O 2.98Å; L89-E131 HydrophobicContact CB-CG 4.38Å; L89-E131 HydrophobicContact CD2-CG 3.71Å
90H96.6Very high96.5Very high95 Ų9557.2 Ų57.244%0.4427%0.265SS..Hα-helixtrans-67-31.1177-62.782.8000112.4H86 T87 V88 R94H86-H90 HydrophobicContact CB-CB 4.02Å; T87-H90 PolarHBondContact N-ND1 3.44Å; T87-H90 VanDerWaalsContact N-ND1 3.14Å; T87-H90 WeakPolarHBondContact O-CB 3.38Å; T87-H90 PolarHBondContact O-N 3.49Å; T87-H90 PolarHBondContact OG1-ND1 3.06Å; V88-H90 VanDerWaalsContact C-N 3.26Å; V88-H90 PolarHBondContact O-N 3.21Å; H90-R94 WeakPolarHBondContact O-CB 3.29Å; H90-R94 PolarHBondContact O-N 2.99Å; H90-R94 VanDerWaalsContact O-N 3.09Å
91E98Very high96.5Very high8 Ų862.7 Ų62.74%0.03729%0.291CS..Hα-helixtrans-70-37173.2-66.6-59.3135.300111.3H86 T87 V88 L89 R94 Y95 I135H86-E91 IonicContact CD2-OE1 3.52Å; H86-E91 PolarHBondContact CD2-OE1 3.45Å; H86-E91 IonicContact CE1-OE1 3.63Å; H86-E91 IonicContact NE2-OE1 3.26Å; H86-E91 PolarHBondContact NE2-OE1 3.43Å; T87-E91 PolarHBondContact O-N 3.09Å; V88-E91 WeakPolarHBondContact O-CB 3.27Å; V88-E91 PolarHBondContact O-N 3.31Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 3Å; E91-R94 VanDerWaalsContact CD-NH1 3.28Å; E91-R94 PolarHBondContact O-N 2.58Å; E91-R94 IonicContact OE1-CZ 2.98Å; E91-R94 IonicContact OE1-NH1 2.59Å; E91-R94 PolarHBondContact OE1-NH1 2.68Å; E91-R94 IonicContact OE1-NH2 3.9Å; E91-R94 IonicContact OE2-CZ 3.74Å; E91-R94 IonicContact OE2-NH1 3.43Å; E91-R94 PolarHBondContact OE2-NH1 3.27Å; E91-R94 VanDerWaalsContact OE2-NH1 3.09Å; E91-Y95 WeakPolarHBondContact O-CB 3.44Å; E91-Y95 VanDerWaalsContact O-CD2 3.26Å; E91-Y95 WeakPolarHBondContact O-CD2 3.38Å; E91-Y95 PolarHBondContact O-N 3.02Å; E91-Y95 WeakPolarHBondContact OE2-CE2 3.38Å; E91-I135 HydrophobicContact CG-CD1 3.68Å
92L97.4Very high96.4Very high8 Ų868.3 Ų68.34%0.04232%0.317CS..Hα-helixtrans-66.5-40.9173.3-69.9165.5000112.1V88 L89 R94 Y95 Q96 V99 P130 E195 L196V88-L92 HydrophobicContact CG1-CD1 4.33Å; V88-L92 PolarHBondContact O-N 3.24Å; L89-L92 WeakPolarHBondContact O-CB 3.23Å; L89-L92 PolarHBondContact O-N 3.19Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.31Å; L92-Y95 CarbonylContact O-C 3.54Å; L92-Y95 VanDerWaalsContact O-C 3.25Å; L92-Y95 PolarHBondContact O-N 3.04Å; L92-Q96 PolarHBondContact O-N 3.04Å; L92-V99 HydrophobicContact CD2-CG2 4.15Å; L92-P130 HydrophobicContact CD1-CB 3.82Å; L92-P130 HydrophobicContact CD1-CG 3.76Å; L92-E195 HydrophobicContact CD1-CG 3.72Å; L92-E195 HydrophobicContact CD2-CG 3.86Å; L92-E195 WeakPolarHBondContact CD2-O 3.4Å; L92-E195 HydrophobicContact CG-CG 4.45Å; L92-L196 HydrophobicContact CD2-CD2 4.3Å
93D95.9Very high96.5Very high96 Ų9668.1 Ų68.151%0.51332%0.317SS..Hα-helixtrans-61.4-36.9174.1-71.1-25.4000111.9L89 Q96L89-D93 PolarHBondContact O-N 2.72Å; D93-Q96 WeakPolarHBondContact O-CG 3.48Å; D93-Q96 PolarHBondContact O-NE2 3.42Å
94R96.9Very high96.6Very high144 Ų14465.6 Ų65.654%0.54331%0.307SS..Hα-helixtrans-72.9-38.4176.5-174.1-175.6-65.3148.64.8112.1H90 E91 L92H90-R94 WeakPolarHBondContact O-CB 3.29Å; H90-R94 PolarHBondContact O-N 2.99Å; H90-R94 VanDerWaalsContact O-N 3.09Å; E91-R94 VanDerWaalsContact CD-NH1 3.28Å; E91-R94 PolarHBondContact O-N 2.58Å; E91-R94 IonicContact OE1-CZ 2.98Å; E91-R94 IonicContact OE1-NH1 2.59Å; E91-R94 PolarHBondContact OE1-NH1 2.68Å; E91-R94 IonicContact OE1-NH2 3.9Å; E91-R94 IonicContact OE2-CZ 3.74Å; E91-R94 IonicContact OE2-NH1 3.43Å; E91-R94 PolarHBondContact OE2-NH1 3.27Å; E91-R94 VanDerWaalsContact OE2-NH1 3.09Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.31Å
95Y96.4Very high96.6Very high77 Ų7766.6 Ų66.630%0.30231%0.31SS..  trans-118.366.1-174-59.7-67.1000111.9E91 L92 R97 G98 V99 P100 L103E91-Y95 WeakPolarHBondContact O-CB 3.44Å; E91-Y95 VanDerWaalsContact O-CD2 3.26Å; E91-Y95 WeakPolarHBondContact O-CD2 3.38Å; E91-Y95 PolarHBondContact O-N 3.02Å; E91-Y95 WeakPolarHBondContact OE2-CE2 3.38Å; L92-Y95 CarbonylContact O-C 3.54Å; L92-Y95 VanDerWaalsContact O-C 3.25Å; L92-Y95 PolarHBondContact O-N 3.04Å; Y95-R97 PolarHBondContact O-N 3.38Å; Y95-G98 WeakPolarHBondContact CB-O 3.4Å; Y95-G98 PolarHBondContact O-N 2.84Å; Y95-V99 HydrophobicContact CD2-CG1 4.34Å; Y95-V99 HydrophobicContact CD2-CG2 4.21Å; Y95-P100 HydrophobicContact CD1-CG 4.36Å; Y95-P100 HydrophobicContact CE1-CG 3.97Å; Y95-P100 HydrophobicContact CE2-CG 4.27Å; Y95-L103 HydrophobicContact CE2-CD1 4.11Å
96Q92.9Very high96.7Very high147 Ų14764.5 Ų64.569%0.68730%0.302SS*.THydrogen-bonded Turntrans-63.2-8.4-175.7-61.817512.200115.3L92 D93L92-Q96 PolarHBondContact O-N 3.04Å; D93-Q96 WeakPolarHBondContact O-CG 3.48Å; D93-Q96 PolarHBondContact O-NE2 3.42Å
97R94.6Very high96.8Very high243 Ų24363.1 Ų63.192%0.91730%0.295SS*.THydrogen-bonded Turntrans-113.418.8177.9-61.9-175-179.2-178.20112.9Y95 S198Y95-R97 PolarHBondContact O-N 3.38Å; R97-S198 CarbonylContact C-O 3.32Å
98G95.5Very high96.9Very high20 Ų2062.4 Ų62.421%0.20629%0.291CS..  trans106.3138.4-17500000112.3Y95 L197 S198Y95-G98 WeakPolarHBondContact CB-O 3.4Å; Y95-G98 PolarHBondContact O-N 2.84Å; G98-L197 WeakPolarHBondContact CA-O 3.29Å; G98-S198 PolarHBondContact N-O 3.1Å
99V98.1Very high96.9Very high10 Ų1063.3 Ų63.36%0.06130%0.295CS..  trans-77.7145-179.5174.20000109.6L92 Y95 E101 L103 V104 L196L92-V99 HydrophobicContact CD2-CG2 4.15Å; Y95-V99 HydrophobicContact CD2-CG1 4.34Å; Y95-V99 HydrophobicContact CD2-CG2 4.21Å; V99-E101 PolarHBondContact O-N 2.83Å; V99-L103 HydrophobicContact CG1-CB 3.62Å; V99-L103 HydrophobicContact CG1-CD1 4.22Å; V99-V104 HydrophobicContact CB-CG2 3.77Å; V99-V104 HydrophobicContact CG1-CG2 3.95Å; V99-V104 VanDerWaalsContact O-CG2 3.26Å; V99-V104 WeakPolarHBondContact O-CG2 3.33Å; V99-L196 HydrophobicContact CB-CD2 4.23Å; V99-L196 WeakPolarHBondContact CB-O 3.07Å; V99-L196 HydrophobicContact CG1-CD2 4.46Å; V99-L196 HydrophobicContact CG2-CD2 3.79Å; V99-L196 PolarHBondContact N-O 3.07Å
100P97.6Very high97Very high41 Ų4161.9 Ų61.927%0.26629%0.286SS..  trans-52136.1176.3-29.134.6000113.5Y95 H102 L103 V104Y95-P100 HydrophobicContact CD1-CG 4.36Å; Y95-P100 HydrophobicContact CE1-CG 3.97Å; Y95-P100 HydrophobicContact CE2-CG 4.27Å; P100-H102 VanDerWaalsContact C-N 3.29Å; P100-H102 PolarHBondContact O-N 2.94Å; P100-H102 VanDerWaalsContact O-N 3.11Å; P100-L103 HydrophobicContact CB-CD1 4.47Å; P100-L103 HydrophobicContact CG-CD1 4.29Å; P100-L103 WeakPolarHBondContact O-CA 3.43Å; P100-L103 WeakPolarHBondContact O-CB 3.31Å; P100-L103 PolarHBondContact O-N 3.13Å; P100-V104 PolarHBondContact O-N 3.3Å
101E96.1Very high97.2Very high116 Ų11657.5 Ų57.554%0.54227%0.267SS..Hα-helixtrans-51.4-43.1-170.6-171.4-169.8161.600113.9V99 L103 V104 K105V99-E101 PolarHBondContact O-N 2.83Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.36Å; E101-V104 PolarHBondContact O-N 3.35Å; E101-K105 HydrophobicContact CG-CD 4.39Å; E101-K105 WeakPolarHBondContact O-CB 3.18Å; E101-K105 PolarHBondContact O-N 2.75Å; E101-K105 WeakPolarHBondContact OE1-CE 3.3Å; E101-K105 IonicContact OE1-NZ 2.87Å; E101-K105 PolarHBondContact OE1-NZ 2.95Å
102H95.8Very high97.2Very high132 Ų13257.2 Ų57.261%0.61127%0.265SS*.Hα-helixtrans-63.3-35.617971-84.1000112.6P100 S106P100-H102 VanDerWaalsContact C-N 3.29Å; P100-H102 PolarHBondContact O-N 2.94Å; P100-H102 VanDerWaalsContact O-N 3.11Å; H102-S106 WeakPolarHBondContact O-CB 3.15Å; H102-S106 PolarHBondContact O-N 3.09Å
103L97.4Very high97.3Very high36 Ų3659.3 Ų59.319%0.18828%0.275CS..Hα-helixtrans-71.5-44.1174-68.6-178.6000110.6Y95 V99 P100 E101 K105 S106 I107Y95-L103 HydrophobicContact CE2-CD1 4.11Å; V99-L103 HydrophobicContact CG1-CB 3.62Å; V99-L103 HydrophobicContact CG1-CD1 4.22Å; P100-L103 HydrophobicContact CB-CD1 4.47Å; P100-L103 HydrophobicContact CG-CD1 4.29Å; P100-L103 WeakPolarHBondContact O-CA 3.43Å; P100-L103 WeakPolarHBondContact O-CB 3.31Å; P100-L103 PolarHBondContact O-N 3.13Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.36Å; L103-K105 VanDerWaalsContact C-N 3.29Å; L103-K105 PolarHBondContact O-N 2.88Å; L103-S106 PolarHBondContact O-N 3.35Å; L103-I107 HydrophobicContact CB-CD1 4.36Å; L103-I107 WeakPolarHBondContact O-CB 3.28Å; L103-I107 WeakPolarHBondContact O-CD1 3.38Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 PolarHBondContact O-N 3.36Å
104V98.3Very high97.4Very high1 Ų154.7 Ų54.71%0.00625%0.25CS..Hα-helixtrans-54.7-49.1175.2-179.10000110.5V99 P100 E101 T108 F193 L196 L197V99-V104 HydrophobicContact CB-CG2 3.77Å; V99-V104 HydrophobicContact CG1-CG2 3.95Å; V99-V104 VanDerWaalsContact O-CG2 3.26Å; V99-V104 WeakPolarHBondContact O-CG2 3.33Å; P100-V104 PolarHBondContact O-N 3.3Å; E101-V104 PolarHBondContact O-N 3.35Å; V104-T108 VanDerWaalsContact O-CB 3.29Å; V104-T108 WeakPolarHBondContact O-CB 3.47Å; V104-T108 PolarHBondContact O-N 3.49Å; V104-T108 PolarHBondContact O-OG1 3Å; V104-F193 HydrophobicContact CG1-CD2 3.74Å; V104-F193 HydrophobicContact CG1-CE2 3.55Å; V104-L196 HydrophobicContact CG1-CB 3.97Å; V104-L196 HydrophobicContact CG1-CD1 4.38Å; V104-L196 HydrophobicContact CG2-CB 4.1Å; V104-L197 HydrophobicContact CG1-CD2 4.13Å; V104-L197 HydrophobicContact CG1-CG 4.46Å
105K97.8Very high97.5Very high34 Ų3447.9 Ų47.915%0.14822%0.224CC..Hα-helixtrans-56.5-52.3175.8-90.1177.4176.7166.80112E101 L103 W109 Y287 I291E101-K105 HydrophobicContact CG-CD 4.39Å; E101-K105 WeakPolarHBondContact O-CB 3.18Å; E101-K105 PolarHBondContact O-N 2.75Å; E101-K105 WeakPolarHBondContact OE1-CE 3.3Å; E101-K105 IonicContact OE1-NZ 2.87Å; E101-K105 PolarHBondContact OE1-NZ 2.95Å; L103-K105 VanDerWaalsContact C-N 3.29Å; L103-K105 PolarHBondContact O-N 2.88Å; K105-W109 WeakPolarHBondContact O-CB 3.42Å; K105-W109 PolarHBondContact O-N 2.87Å; K105-Y287 WeakPolarHBondContact CE-O 3.43Å; K105-Y287 HydrophobicContact CG-CD1 4.35Å; K105-Y287 HydrophobicContact CG-CE1 3.52Å; K105-Y287 HydrophobicContact CG-CE2 4.39Å; K105-Y287 WeakPolarHBondContact CG-OH 3.09Å; K105-I291 HydrophobicContact CB-CD1 3.93Å
106S97.9Very high97.6Very high37 Ų3745.3 Ų45.326%0.25922%0.216SC..Hα-helixtrans-62-47.1-179.8-1790000112.9H102 L103 Q110H102-S106 WeakPolarHBondContact O-CB 3.15Å; H102-S106 PolarHBondContact O-N 3.09Å; L103-S106 PolarHBondContact O-N 3.35Å; S106-Q110 WeakPolarHBondContact O-CB 3.47Å; S106-Q110 WeakPolarHBondContact O-CG 3.29Å; S106-Q110 PolarHBondContact O-N 3.34Å; S106-Q110 PolarHBondContact OG-NE2 2.97Å
107I98.7Very high97.8Very high6 Ų640.1 Ų40.13%0.03119%0.191CC..Hα-helixtrans-61.2-49.9179.8-68.2162.1000110V88 L103 T111 I135 I141 L196V88-I107 HydrophobicContact CG2-CD1 4.38Å; V88-I107 HydrophobicContact CG2-CG1 4.48Å; V88-I107 HydrophobicContact CG2-CG2 3.63Å; L103-I107 HydrophobicContact CB-CD1 4.36Å; L103-I107 WeakPolarHBondContact O-CB 3.28Å; L103-I107 WeakPolarHBondContact O-CD1 3.38Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 PolarHBondContact O-N 3.36Å; I107-T111 VanDerWaalsContact O-CB 3.29Å; I107-T111 WeakPolarHBondContact O-CB 3.29Å; I107-T111 PolarHBondContact O-N 3.08Å; I107-T111 PolarHBondContact O-OG1 3.37Å; I107-I135 HydrophobicContact CD1-CD1 4.48Å; I107-I141 HydrophobicContact CB-CD1 4.38Å; I107-I141 HydrophobicContact CG1-CD1 3.95Å; I107-I141 HydrophobicContact CG2-CD1 4.4Å; I107-L196 HydrophobicContact CB-CD1 4.21Å; I107-L196 HydrophobicContact CD1-CD2 4.06Å; I107-L196 HydrophobicContact CG2-CD1 3.77Å
108T98.8Very high98Very high5 Ų528.6 Ų28.63%0.03115%0.148CC..Hα-helixtrans-65.6-44.3-177.1-49.30000111.1V104 T111 L112 I189 F193 L264 F288V104-T108 VanDerWaalsContact O-CB 3.29Å; V104-T108 WeakPolarHBondContact O-CB 3.47Å; V104-T108 PolarHBondContact O-N 3.49Å; V104-T108 PolarHBondContact O-OG1 3Å; T108-T111 PolarHBondContact O-N 2.96Å; T108-L112 HydrophobicContact CG2-CD1 4.21Å; T108-L112 WeakPolarHBondContact O-CB 3.15Å; T108-L112 WeakPolarHBondContact O-CG 3.36Å; T108-L112 PolarHBondContact O-N 2.7Å; T108-I189 HydrophobicContact CG2-CG2 4.34Å; T108-F193 HydrophobicContact CG2-CB 4.41Å; T108-F193 HydrophobicContact CG2-CD2 3.95Å; T108-F193 HydrophobicContact CG2-CG 4.35Å; T108-F193 WeakPolarHBondContact OG1-CD2 3.47Å; T108-L264 HydrophobicContact CG2-CD2 4.27Å; T108-F288 HydrophobicContact CG2-CZ 3.83Å
109W98.6Very high98Very high18 Ų1829 Ų297%0.06814%0.144CC..Hα-helixtrans-57.5-53177.6-177.5-109.2000112.3K105 T111 L112 Q113 L283 F288 I291 R292 E295K105-W109 WeakPolarHBondContact O-CB 3.42Å; K105-W109 PolarHBondContact O-N 2.87Å; W109-T111 VanDerWaalsContact C-N 3.33Å; W109-T111 PolarHBondContact O-N 3.06Å; W109-L112 WeakPolarHBondContact O-CB 3.45Å; W109-L112 PolarHBondContact O-N 3Å; W109-Q113 VanDerWaalsContact NE1-NE2 3.19Å; W109-Q113 WeakPolarHBondContact O-CG 3.36Å; W109-Q113 PolarHBondContact O-N 3.13Å; W109-L283 HydrophobicContact CD2-CD2 3.73Å; W109-L283 HydrophobicContact CE3-CD2 3.52Å; W109-L283 HydrophobicContact CG-CD2 4.49Å; W109-L283 HydrophobicContact CH2-CB 4.08Å; W109-L283 HydrophobicContact CH2-CD2 3.89Å; W109-L283 WeakPolarHBondContact CH2-O 3.48Å; W109-L283 HydrophobicContact CZ2-CD2 4.06Å; W109-L283 HydrophobicContact CZ3-CB 4.02Å; W109-L283 HydrophobicContact CZ3-CD2 3.63Å; W109-L283 HydrophobicContact CZ3-CG 4.44Å; W109-L283 WeakPolarHBondContact CZ3-O 3.19Å; W109-F288 HydrophobicContact CB-CD1 4.24Å; W109-F288 HydrophobicContact CB-CE1 3.98Å; W109-F288 HydrophobicContact CD2-CD1 4.35Å; W109-F288 HydrophobicContact CD2-CG 4.41Å; W109-F288 HydrophobicContact CE3-CB 3.49Å; W109-F288 VanDerWaalsContact CE3-CB 3.49Å; W109-F288 AromaticContact CE3-CD1 3.52Å; W109-F288 HydrophobicContact CE3-CD1 3.52Å; W109-F288 AromaticContact CE3-CD2 3.55Å; W109-F288 HydrophobicContact CE3-CD2 3.55Å; W109-F288 HydrophobicContact CE3-CE1 4.01Å; W109-F288 HydrophobicContact CE3-CE2 4.04Å; W109-F288 AromaticContact CE3-CG 3.25Å; W109-F288 HydrophobicContact CE3-CG 3.25Å; W109-F288 HydrophobicContact CE3-CZ 4.25Å; W109-F288 HydrophobicContact CH2-CB 4.2Å; W109-F288 HydrophobicContact CZ3-CB 3.24Å; W109-F288 HydrophobicContact CZ3-CD1 4.18Å; W109-F288 AromaticContact CZ3-CD2 3.61Å; W109-F288 HydrophobicContact CZ3-CD2 3.61Å; W109-F288 HydrophobicContact CZ3-CE2 4.44Å; W109-F288 AromaticContact CZ3-CG 3.45Å; W109-F288 HydrophobicContact CZ3-CG 3.45Å; W109-F288 VanDerWaalsContact CZ3-CG 3.45Å; W109-I291 HydrophobicContact CB-CD1 4.08Å; W109-I291 HydrophobicContact CD2-CG2 4.2Å; W109-I291 HydrophobicContact CG-CD1 4.25Å; W109-I291 HydrophobicContact CG-CG2 4.22Å; W109-R292 HydrophobicContact CH2-CG 3.54Å; W109-R292 HydrophobicContact CZ2-CG 4Å; W109-R292 HydrophobicContact CZ3-CG 4.41Å; W109-E295 PolarHBondContact NE1-OE1 3.47Å
110Q98.7Very high98Very high25 Ų2534.1 Ų34.112%0.11717%0.166CC..Hα-helixtrans-69.9-30.9-178.1-67-176.868.700112.4N63 S106 Q113 A114 S139 I141N63-Q110 PolarHBondContact ND2-OE1 2.94Å; S106-Q110 WeakPolarHBondContact O-CB 3.47Å; S106-Q110 WeakPolarHBondContact O-CG 3.29Å; S106-Q110 PolarHBondContact O-N 3.34Å; S106-Q110 PolarHBondContact OG-NE2 2.97Å; Q110-Q113 PolarHBondContact O-N 2.68Å; Q110-A114 PolarHBondContact O-N 2.96Å; Q110-S139 PolarHBondContact NE2-O 3.49Å; Q110-S139 VanDerWaalsContact NE2-O 3.09Å; Q110-I141 HydrophobicContact CB-CB 3.64Å; Q110-I141 HydrophobicContact CB-CG1 3.61Å; Q110-I141 HydrophobicContact CB-CG2 4.44Å; Q110-I141 HydrophobicContact CG-CG1 4.28Å
111T98.9Very high97.8Very high4 Ų436.4 Ų36.43%0.02517%0.172CC..Hα-helixtrans-66.3-43.2172.6-56.60000111I107 T108 W109 Q113 A114 V115 V128 I133 I189I107-T111 VanDerWaalsContact O-CB 3.29Å; I107-T111 WeakPolarHBondContact O-CB 3.29Å; I107-T111 PolarHBondContact O-N 3.08Å; I107-T111 PolarHBondContact O-OG1 3.37Å; T108-T111 PolarHBondContact O-N 2.96Å; W109-T111 VanDerWaalsContact C-N 3.33Å; W109-T111 PolarHBondContact O-N 3.06Å; T111-Q113 VanDerWaalsContact C-N 3.32Å; T111-Q113 PolarHBondContact O-N 3.01Å; T111-A114 WeakPolarHBondContact O-CB 3.5Å; T111-A114 PolarHBondContact O-N 3.45Å; T111-V115 WeakPolarHBondContact O-CG2 3.41Å; T111-V115 PolarHBondContact O-N 3.37Å; T111-V128 HydrophobicContact CG2-CG1 4.27Å; T111-I133 HydrophobicContact CG2-CD1 4.1Å; T111-I133 HydrophobicContact CG2-CG1 4.48Å; T111-I189 HydrophobicContact CG2-CD1 4.5Å; T111-I189 HydrophobicContact CG2-CG1 4.19Å
112L98.8Very high97.7Very high1 Ų135.5 Ų35.51%0.00517%0.171CC..Hα-helixtrans-59.8-41.4172.7-77.2165.8000111.7T108 W109 V115 N116 I189 C279 L282 L283 F288T108-L112 HydrophobicContact CG2-CD1 4.21Å; T108-L112 WeakPolarHBondContact O-CB 3.15Å; T108-L112 WeakPolarHBondContact O-CG 3.36Å; T108-L112 PolarHBondContact O-N 2.7Å; W109-L112 WeakPolarHBondContact O-CB 3.45Å; W109-L112 PolarHBondContact O-N 3Å; L112-V115 PolarHBondContact O-N 3.06Å; L112-N116 WeakPolarHBondContact O-CB 3.3Å; L112-N116 PolarHBondContact O-N 3.03Å; L112-I189 HydrophobicContact CD2-CD1 3.85Å; L112-I189 HydrophobicContact CD2-CG2 4.13Å; L112-I189 HydrophobicContact CG-CD1 4.47Å; L112-I189 HydrophobicContact CG-CG2 4.32Å; L112-C279 HydrophobicContact CD2-CB 4.11Å; L112-L282 HydrophobicContact CD1-CB 3.94Å; L112-L282 HydrophobicContact CD2-CB 3.77Å; L112-L282 HydrophobicContact CD2-CD1 3.75Å; L112-L282 HydrophobicContact CD2-CG 4.42Å; L112-L283 HydrophobicContact CB-CD2 3.68Å; L112-L283 HydrophobicContact CB-CG 3.97Å; L112-L283 HydrophobicContact CD1-CD2 4.45Å; L112-F288 HydrophobicContact CD1-CE2 3.58Å; L112-F288 HydrophobicContact CD1-CZ 3.78Å
113Q98.6Very high97.5Very high52 Ų5229.2 Ų29.224%0.24314%0.143CC..Hα-helixtrans-61.7-45.7175.1-70.4-172.684.400112.3W109 Q110 T111 F117 L283W109-Q113 VanDerWaalsContact NE1-NE2 3.19Å; W109-Q113 WeakPolarHBondContact O-CG 3.36Å; W109-Q113 PolarHBondContact O-N 3.13Å; Q110-Q113 PolarHBondContact O-N 2.68Å; T111-Q113 VanDerWaalsContact C-N 3.32Å; T111-Q113 PolarHBondContact O-N 3.01Å; Q113-F117 WeakPolarHBondContact O-CB 3.45Å; Q113-F117 PolarHBondContact O-N 2.81Å; Q113-L283 HydrophobicContact CG-CD1 4.25Å; Q113-L283 HydrophobicContact CG-CD2 3.81Å
114A98.6Very high97.4Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-57.2-50.7176.200000112.1N63 L64 Q110 T111 F117 C118 L143N63-A114 HydrophobicContact CB-CB 3.79Å; N63-A114 WeakPolarHBondContact O-CB 3.36Å; L64-A114 HydrophobicContact CD2-CB 3.9Å; Q110-A114 PolarHBondContact O-N 2.96Å; T111-A114 WeakPolarHBondContact O-CB 3.5Å; T111-A114 PolarHBondContact O-N 3.45Å; A114-F117 WeakPolarHBondContact O-CB 3.27Å; A114-F117 PolarHBondContact O-N 2.81Å; A114-C118 PolarHBondContact O-N 2.7Å; A114-C118 VanDerWaalsContact O-N 3.15Å; A114-C118 PolarHBondContact O-SG 3.04Å; A114-C118 VanDerWaalsContact O-SG 3.35Å; A114-L143 HydrophobicContact CB-CB 4.02Å; A114-L143 HydrophobicContact CB-CD2 4.18Å
115V98.6Very high97.2Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-72-39.4-176.7176.30000111.5T111 L112 F117 C118 H119 V128 L143 D185 I189 C279T111-V115 WeakPolarHBondContact O-CG2 3.41Å; T111-V115 PolarHBondContact O-N 3.37Å; L112-V115 PolarHBondContact O-N 3.06Å; V115-F117 VanDerWaalsContact C-N 3.29Å; V115-F117 PolarHBondContact O-N 3.34Å; V115-C118 WeakPolarHBondContact O-CB 3.3Å; V115-C118 PolarHBondContact O-N 3.37Å; V115-C118 VanDerWaalsContact O-N 3.09Å; V115-H119 WeakPolarHBondContact CG1-CE1 3.26Å; V115-H119 VanDerWaalsContact CG1-NE2 3.32Å; V115-H119 WeakPolarHBondContact CG1-NE2 3.49Å; V115-H119 PolarHBondContact O-CD2 3.05Å; V115-H119 VanDerWaalsContact O-CG 3.32Å; V115-H119 PolarHBondContact O-N 3.01Å; V115-V128 HydrophobicContact CG2-CG2 4.09Å; V115-L143 HydrophobicContact CG2-CD2 3.77Å; V115-D185 HydrophobicContact CG1-CB 3.66Å; V115-I189 HydrophobicContact CB-CD1 4.03Å; V115-I189 HydrophobicContact CG1-CD1 4.16Å; V115-I189 HydrophobicContact CG2-CD1 3.99Å; V115-C279 VanDerWaalsContact CG1-SG 3.58Å
116N98.6Very high96.9Very high23 Ų2326.8 Ų26.812%0.12313%0.13CC..Hα-helixtrans-57.5-43.6173.2-172.532.9000111.4L112 C118 H119 K120 C279 L283L112-N116 WeakPolarHBondContact O-CB 3.3Å; L112-N116 PolarHBondContact O-N 3.03Å; N116-C118 VanDerWaalsContact C-N 3.34Å; N116-C118 PolarHBondContact O-N 3.1Å; N116-H119 PolarHBondContact O-N 3.4Å; N116-K120 WeakPolarHBondContact O-CG 3.23Å; N116-K120 PolarHBondContact O-N 3.2Å; N116-C279 HydrophobicContact CB-CB 3.64Å; N116-L283 HydrophobicContact CB-CD1 4.22Å
117F98.4Very high96.7Very high39 Ų3925.4 Ų25.417%0.17112%0.12CC..Hα-helixtrans-59.8-44.6174.9177.4-92000111.5L59 K60 H61 L64 Q113 A114 V115 K120 H121L59-F117 HydrophobicContact CB-CE1 4.02Å; L59-F117 HydrophobicContact CD2-CE1 3.89Å; K60-F117 WeakPolarHBondContact O-CZ 3.31Å; H61-F117 HydrophobicContact CB-CD1 3.7Å; H61-F117 HydrophobicContact CB-CD2 4.17Å; H61-F117 HydrophobicContact CB-CE1 3.86Å; H61-F117 HydrophobicContact CB-CE2 4.3Å; H61-F117 HydrophobicContact CB-CG 3.86Å; H61-F117 HydrophobicContact CB-CZ 4.16Å; H61-F117 AromaticContact CD2-CD2 3.51Å; H61-F117 AromaticContact CD2-CG 3.62Å; H61-F117 AromaticContact CG-CG 3.8Å; L64-F117 HydrophobicContact CD1-CD1 3.81Å; L64-F117 HydrophobicContact CD1-CE1 4.05Å; Q113-F117 WeakPolarHBondContact O-CB 3.45Å; Q113-F117 PolarHBondContact O-N 2.81Å; A114-F117 WeakPolarHBondContact O-CB 3.27Å; A114-F117 PolarHBondContact O-N 2.81Å; V115-F117 VanDerWaalsContact C-N 3.29Å; V115-F117 PolarHBondContact O-N 3.34Å; F117-K120 PolarHBondContact O-N 3.16Å; F117-H121 AromaticContact CD2-CE1 3.69Å; F117-H121 AromaticContact CD2-ND1 3.95Å; F117-H121 AromaticContact CE1-ND1 3.93Å; F117-H121 AromaticContact CE2-CE1 3.19Å; F117-H121 WeakPolarHBondContact CE2-CE1 3.44Å; F117-H121 AromaticContact CE2-ND1 3.77Å; F117-H121 AromaticContact CE2-NE2 3.97Å; F117-H121 AromaticContact CZ-CE1 3.4Å; F117-H121 WeakPolarHBondContact CZ-CE1 3.08Å; F117-H121 AromaticContact CZ-ND1 3.75Å; F117-H121 AromaticContact CZ-NE2 3.88Å; F117-H121 PolarHBondContact O-N 3.06Å; F117-H121 PolarHBondContact O-ND1 3.33Å
118C97.2Very high96.6Very high0 Ų025.3 Ų25.30%012%0.119CC..Hα-helixtrans-59-47.2174.6-65.70000111.9A114 V115 N116 K120 H121 N122 C123A114-C118 PolarHBondContact O-N 2.7Å; A114-C118 VanDerWaalsContact O-N 3.15Å; A114-C118 PolarHBondContact O-SG 3.04Å; A114-C118 VanDerWaalsContact O-SG 3.35Å; V115-C118 WeakPolarHBondContact O-CB 3.3Å; V115-C118 PolarHBondContact O-N 3.37Å; V115-C118 VanDerWaalsContact O-N 3.09Å; N116-C118 VanDerWaalsContact C-N 3.34Å; N116-C118 PolarHBondContact O-N 3.1Å; C118-K120 PolarHBondContact O-N 3.17Å; C118-H121 CarbonylContact O-C 3.52Å; C118-H121 WeakPolarHBondContact O-CA 3.35Å; C118-H121 PolarHBondContact O-N 3Å; C118-N122 PolarHBondContact O-N 3.24Å; C118-C123 CarbonylContact C-O 3.5Å; C118-C123 HydrophobicContact CB-CB 4.18Å; C118-C123 WeakPolarHBondContact CB-O 3.47Å; C118-C123 WeakPolarHBondContact O-CB 3.47Å; C118-C123 PolarHBondContact O-N 3.48Å
119H97.1Very high96.5Very high29 Ų2926 Ų2613%0.13412%0.122CC..Hα-helixtrans-61.3-42-179.4-67178.9000111.9V115 N116 H121 N122 C123 P182 D185V115-H119 WeakPolarHBondContact CG1-CE1 3.26Å; V115-H119 VanDerWaalsContact CG1-NE2 3.32Å; V115-H119 WeakPolarHBondContact CG1-NE2 3.49Å; V115-H119 PolarHBondContact O-CD2 3.05Å; V115-H119 VanDerWaalsContact O-CG 3.32Å; V115-H119 PolarHBondContact O-N 3.01Å; N116-H119 PolarHBondContact O-N 3.4Å; H119-H121 PolarHBondContact O-N 3.36Å; H119-N122 PolarHBondContact O-N 2.84Å; H119-C123 PolarHBondContact CD2-O 3.29Å; H119-C123 PolarHBondContact N-O 2.96Å; H119-P182 PolarHBondContact CE1-O 3.09Å; H119-P182 VanDerWaalsContact CE1-O 3.24Å; H119-D185 IonicContact CD2-OD2 3.41Å; H119-D185 IonicContact CE1-OD2 2.79Å; H119-D185 IonicContact NE2-OD2 3.81Å; H119-D185 PolarHBondContact NE2-OD2 3.2Å
120K96.8Very high96.4Very high118 Ų11825.1 Ų25.151%0.51312%0.119SC..Hα-helixtrans-63.3-19.7173.9-72.3-175.9178.2-172.40113.8N116 F117 C118 E280N116-K120 WeakPolarHBondContact O-CG 3.23Å; N116-K120 PolarHBondContact O-N 3.2Å; F117-K120 PolarHBondContact O-N 3.16Å; C118-K120 PolarHBondContact O-N 3.17Å; K120-E280 IonicContact NZ-OE1 3.01Å; K120-E280 PolarHBondContact NZ-OE1 3Å; K120-E280 IonicContact NZ-OE2 2.7Å
121H95Very high96.2Very high88 Ų8826.9 Ų26.941%0.40713%0.127SC..THydrogen-bonded Turntrans-103.723.6174.5-66.178.6000112.3L59 F117 C118 H119 C123L59-H121 HydrophobicContact CD2-CB 3.52Å; F117-H121 AromaticContact CD2-CE1 3.69Å; F117-H121 AromaticContact CD2-ND1 3.95Å; F117-H121 AromaticContact CE1-ND1 3.93Å; F117-H121 AromaticContact CE2-CE1 3.19Å; F117-H121 WeakPolarHBondContact CE2-CE1 3.44Å; F117-H121 AromaticContact CE2-ND1 3.77Å; F117-H121 AromaticContact CE2-NE2 3.97Å; F117-H121 AromaticContact CZ-CE1 3.4Å; F117-H121 WeakPolarHBondContact CZ-CE1 3.08Å; F117-H121 AromaticContact CZ-ND1 3.75Å; F117-H121 AromaticContact CZ-NE2 3.88Å; F117-H121 PolarHBondContact O-N 3.06Å; F117-H121 PolarHBondContact O-ND1 3.33Å; C118-H121 CarbonylContact O-C 3.52Å; C118-H121 WeakPolarHBondContact O-CA 3.35Å; C118-H121 PolarHBondContact O-N 3Å; H119-H121 PolarHBondContact O-N 3.36Å; H121-C123 PolarHBondContact O-N 3.36Å; H121-C123 VanDerWaalsContact O-N 3.17Å
122N92.4Very high96.1Very high97 Ų9727.3 Ų27.352%0.51913%0.129SC..THydrogen-bonded Turntrans56.930.3177.8-64.7-45.7000113.2C118 H119 L151 L152C118-N122 PolarHBondContact O-N 3.24Å; H119-N122 PolarHBondContact O-N 2.84Å; N122-L151 CarbonylContact O-C 3.52Å; N122-L151 VanDerWaalsContact O-CA 3.29Å; N122-L151 WeakPolarHBondContact O-CA 3.48Å; N122-L152 HydrophobicContact CB-CB 4.14Å; N122-L152 PolarHBondContact O-N 2.91Å
123C92.7Very high96Very high1 Ų127.3 Ų27.31%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-114.7124.6-178.8-178.60000110.2L59 C118 H119 H121 R150 L151L59-C123 HydrophobicContact CD1-CB 4.08Å; C118-C123 CarbonylContact C-O 3.5Å; C118-C123 HydrophobicContact CB-CB 4.18Å; C118-C123 WeakPolarHBondContact CB-O 3.47Å; C118-C123 WeakPolarHBondContact O-CB 3.47Å; C118-C123 PolarHBondContact O-N 3.48Å; H119-C123 PolarHBondContact CD2-O 3.29Å; H119-C123 PolarHBondContact N-O 2.96Å; H121-C123 PolarHBondContact O-N 3.36Å; H121-C123 VanDerWaalsContact O-N 3.17Å; C123-R150 WeakPolarHBondContact CA-O 3.46Å; C123-L151 HydrophobicContact CB-CD2 4.43Å
124I94.1Very high96Very high1 Ų126.2 Ų26.21%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-102.2129.7171.9-51.3168.3000108.1R126 A149 R150 L152 G181 P182 V184 D185I124-R126 HydrophobicContact CB-CG 4.18Å; I124-R126 HydrophobicContact CG2-CG 3.59Å; I124-A149 CarbonylContact O-C 3.19Å; I124-A149 WeakPolarHBondContact O-CA 3.46Å; I124-A149 WeakPolarHBondContact O-CB 3.1Å; I124-R150 PolarHBondContact N-O 3.2Å; I124-R150 PolarHBondContact O-N 3.05Å; I124-L152 HydrophobicContact CD1-CD2 3.63Å; I124-L152 HydrophobicContact CD1-CG 4.11Å; I124-L152 HydrophobicContact CG1-CD2 4.35Å; I124-L152 HydrophobicContact CG1-CG 4.3Å; I124-G181 VanDerWaalsContact CD1-C 3.48Å; I124-P182 HydrophobicContact CG1-CG 4.33Å; I124-V184 HydrophobicContact CG2-CG2 3.49Å; I124-V184 VanDerWaalsContact CG2-CG2 3.49Å; I124-D185 VanDerWaalsContact CG2-OD2 3.28Å; I124-D185 WeakPolarHBondContact CG2-OD2 3.41Å
125H94.5Very high96Very high0 Ų026.7 Ų26.70%013%0.127CC..  trans-73.9-48.8-176.3-166.3-75.1000112.2D127 V128 L143 C144 D145 F146 A149 D185H125-D127 PolarHBondContact CE1-O 3.38Å; H125-D127 PolarHBondContact ND1-N 3.08Å; H125-D127 PolarHBondContact O-N 3.48Å; H125-V128 HydrophobicContact CB-CG2 3.99Å; H125-L143 VanDerWaalsContact CD2-CD2 3.41Å; H125-L143 WeakPolarHBondContact CD2-CD2 3.36Å; H125-C144 PolarHBondContact CE1-O 3.31Å; H125-C144 VanDerWaalsContact CE1-O 3.23Å; H125-C144 PolarHBondContact NE2-O 3.23Å; H125-D145 PolarHBondContact CE1-O 3.49Å; H125-F146 AromaticContact CD2-CE1 3.79Å; H125-F146 AromaticContact CD2-CZ 3.78Å; H125-A149 WeakPolarHBondContact O-CA 3.4Å; H125-D185 PolarHBondContact N-OD1 2.85Å; H125-D185 PolarHBondContact N-OD2 2.96Å
126R92.4Very high96Very high18 Ų1827.5 Ų27.57%0.06813%0.132CC..  trans63.411.2-179.6-47.7-170.2-48.3137.322.8116.7I124 F148 Y180 V184 D185I124-R126 HydrophobicContact CB-CG 4.18Å; I124-R126 HydrophobicContact CG2-CG 3.59Å; R126-F148 PolarHBondContact NE-O 3.26Å; R126-F148 PolarHBondContact NH2-O 2.94Å; R126-Y180 PolarHBondContact NH1-OH 2.88Å; R126-V184 HydrophobicContact CG-CG2 4.37Å; R126-D185 WeakPolarHBondContact CA-OD1 3.44Å; R126-D185 PolarHBondContact N-OD1 3.23Å
127D92.1Very high95.8Very high9 Ų934 Ų345%0.04816%0.159CC..  trans-151.142.3179.9-163.815.4000111.5H125 K129 N132 F148 Y162H125-D127 PolarHBondContact CE1-O 3.38Å; H125-D127 PolarHBondContact ND1-N 3.08Å; H125-D127 PolarHBondContact O-N 3.48Å; D127-K129 PolarHBondContact O-N 3.32Å; D127-K129 WeakPolarHBondContact OD1-CD 3.35Å; D127-K129 WeakPolarHBondContact OD1-CE 3.4Å; D127-K129 IonicContact OD1-NZ 2.68Å; D127-K129 PolarHBondContact OD1-NZ 3.42Å; D127-K129 IonicContact OD2-NZ 3.5Å; D127-K129 PolarHBondContact OD2-NZ 2.91Å; D127-N132 PolarHBondContact O-ND2 2.98Å; D127-N132 PolarHBondContact OD2-ND2 2.89Å; D127-F148 HydrophobicContact CB-CD2 4.46Å; D127-Y162 VanDerWaalsContact CB-OH 3.22Å; D127-Y162 WeakPolarHBondContact CB-OH 3.34Å; D127-Y162 PolarHBondContact OD1-OH 3.29Å; D127-Y162 PolarHBondContact OD2-OH 3.35Å; D127-Y162 VanDerWaalsContact OD2-OH 3.1Å
128V97.4Very high95.8Very high3 Ų338.6 Ų38.62%0.01818%0.181CC..  trans-76.5116.9173.3-179.20000107.6T111 V115 H125 I133 D185 A188 I189T111-V128 HydrophobicContact CG2-CG1 4.27Å; V115-V128 HydrophobicContact CG2-CG2 4.09Å; H125-V128 HydrophobicContact CB-CG2 3.99Å; V128-I133 HydrophobicContact CG1-CD1 4.18Å; V128-D185 HydrophobicContact CG2-CB 4.4Å; V128-A188 HydrophobicContact CB-CB 3.87Å; V128-A188 HydrophobicContact CG1-CB 4.5Å; V128-I189 HydrophobicContact CG1-CG1 4.11Å
129K96.3Very high95.7Very high20 Ų2041.9 Ų41.99%0.08720%0.204CC..SBendtrans-160.2161.4179.960.5179.6-173.9-129.50110D127 E131 N132 I133 Y168D127-K129 PolarHBondContact O-N 3.32Å; D127-K129 WeakPolarHBondContact OD1-CD 3.35Å; D127-K129 WeakPolarHBondContact OD1-CE 3.4Å; D127-K129 IonicContact OD1-NZ 2.68Å; D127-K129 PolarHBondContact OD1-NZ 3.42Å; D127-K129 IonicContact OD2-NZ 3.5Å; D127-K129 PolarHBondContact OD2-NZ 2.91Å; K129-E131 WeakPolarHBondContact CB-OE2 3.42Å; K129-E131 WeakPolarHBondContact CD-OE2 3.32Å; K129-E131 WeakPolarHBondContact CG-OE2 3.39Å; K129-E131 PolarHBondContact O-N 2.76Å; K129-E131 VanDerWaalsContact O-N 3.09Å; K129-N132 WeakPolarHBondContact CE-ND2 3.47Å; K129-N132 HydrophobicContact CG-CB 4.18Å; K129-N132 PolarHBondContact O-N 3.1Å; K129-I133 WeakPolarHBondContact O-CG1 3.22Å; K129-I133 PolarHBondContact O-N 3.36Å; K129-Y168 HydrophobicContact CB-CD2 3.49Å; K129-Y168 VanDerWaalsContact CB-CD2 3.49Å; K129-Y168 HydrophobicContact CB-CE2 3.57Å; K129-Y168 HydrophobicContact CB-CG 4.01Å
130P97.3Very high95.8Very high0 Ų042.8 Ų42.80%021%0.211CC..G310 helixtrans-54.6-31.6-174.4-29.439000115V88 L89 L92 N132 Y168 V192V88-P130 HydrophobicContact CB-CB 4.22Å; V88-P130 HydrophobicContact CG1-CB 4.04Å; V88-P130 PolarHBondContact N-O 3.22Å; L89-P130 HydrophobicContact CB-CB 4.04Å; L89-P130 PolarHBondContact N-O 2.98Å; L92-P130 HydrophobicContact CD1-CB 3.82Å; L92-P130 HydrophobicContact CD1-CG 3.76Å; P130-N132 VanDerWaalsContact C-N 3.32Å; P130-N132 PolarHBondContact O-N 3Å; P130-Y168 WeakPolarHBondContact CD-OH 3.19Å; P130-Y168 HydrophobicContact CG-CE1 4.18Å; P130-Y168 WeakPolarHBondContact CG-OH 3.4Å; P130-V192 HydrophobicContact CG-CG2 4.36Å
131E94.3Very high95.9Very high62 Ų6237.2 Ų37.229%0.2919%0.187SC..G310 helixtrans-68.7-31.1178-56.492.9150.900112.9L89 K129L89-E131 HydrophobicContact CB-CG 4.38Å; L89-E131 HydrophobicContact CD2-CG 3.71Å; K129-E131 WeakPolarHBondContact CB-OE2 3.42Å; K129-E131 WeakPolarHBondContact CD-OE2 3.32Å; K129-E131 WeakPolarHBondContact CG-OE2 3.39Å; K129-E131 PolarHBondContact O-N 2.76Å; K129-E131 VanDerWaalsContact O-N 3.09Å
132N95.8Very high96Very high13 Ų1334.1 Ų34.17%0.0717%0.172CC..G310 helixtrans-94.7-2.5-176.3-72.8-11.7000113.1D127 K129 P130 C144D127-N132 PolarHBondContact O-ND2 2.98Å; D127-N132 PolarHBondContact OD2-ND2 2.89Å; K129-N132 WeakPolarHBondContact CE-ND2 3.47Å; K129-N132 HydrophobicContact CG-CB 4.18Å; K129-N132 PolarHBondContact O-N 3.1Å; P130-N132 VanDerWaalsContact C-N 3.32Å; P130-N132 PolarHBondContact O-N 3Å; N132-C144 PolarHBondContact O-N 2.88Å; N132-C144 PolarHBondContact O-SG 3.4Å; N132-C144 VanDerWaalsContact O-SG 3.34Å
133I98.3Very high96.3Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-101.495.5175.6-55.7164.8000107.5T87 V88 T111 V128 K129 I141 L143 V192T87-I133 CarbonylContact C-O 3.52Å; T87-I133 WeakPolarHBondContact CA-O 3.41Å; V88-I133 HydrophobicContact CB-CB 4.19Å; V88-I133 HydrophobicContact CB-CG2 4.46Å; V88-I133 HydrophobicContact CG2-CB 3.67Å; V88-I133 HydrophobicContact CG2-CG2 3.43Å; V88-I133 VanDerWaalsContact CG2-CG2 3.43Å; V88-I133 PolarHBondContact N-O 2.87Å; T111-I133 HydrophobicContact CG2-CD1 4.1Å; T111-I133 HydrophobicContact CG2-CG1 4.48Å; V128-I133 HydrophobicContact CG1-CD1 4.18Å; K129-I133 WeakPolarHBondContact O-CG1 3.22Å; K129-I133 PolarHBondContact O-N 3.36Å; I133-I141 HydrophobicContact CG2-CD1 4.44Å; I133-I141 HydrophobicContact CG2-CG2 3.44Å; I133-I141 VanDerWaalsContact CG2-CG2 3.44Å; I133-L143 HydrophobicContact CG1-CD1 4.11Å; I133-V192 HydrophobicContact CD1-CG1 3.88Å; I133-V192 HydrophobicContact CD1-CG2 4.27Å
134L98.3Very high96.4Very high30 Ų3030.3 Ų30.316%0.15715%0.153CC..EExtended strand (participates in β ladder)trans-83.6153-177.8-42.8177000110.8V65 C84 T87 I141 K142 C144V65-L134 HydrophobicContact CG2-CD1 4.34Å; C84-L134 HydrophobicContact CB-CB 3.56Å; C84-L134 HydrophobicContact CB-CD1 4.04Å; C84-L134 HydrophobicContact CB-CG 4.4Å; T87-L134 HydrophobicContact CG2-CD2 3.54Å; L134-I141 CarbonylContact O-C 3.57Å; L134-I141 WeakPolarHBondContact O-CA 3.27Å; L134-K142 WeakPolarHBondContact CA-O 3.45Å; L134-K142 HydrophobicContact CB-CB 4.17Å; L134-K142 VanDerWaalsContact CB-O 3.29Å; L134-K142 WeakPolarHBondContact CB-O 3.36Å; L134-K142 WeakPolarHBondContact CG-O 3.23Å; L134-K142 PolarHBondContact N-O 2.92Å; L134-K142 PolarHBondContact O-N 2.87Å; L134-C144 HydrophobicContact CD1-CB 3.79Å; L134-C144 HydrophobicContact CG-CB 4.12Å
135I98.4Very high96.1Very high9 Ų931.9 Ų31.95%0.04616%0.161CC..EExtended strand (participates in β ladder)trans-126.1125.7179.5-47.1-174.4000108.6D85 H86 V88 E91 I107 I141D85-I135 PolarHBondContact N-O 3.32Å; H86-I135 PolarHBondContact N-O 3.13Å; H86-I135 PolarHBondContact O-N 3.09Å; V88-I135 HydrophobicContact CG2-CD1 3.95Å; V88-I135 HydrophobicContact CG2-CG1 4.24Å; E91-I135 HydrophobicContact CG-CD1 3.68Å; I107-I135 HydrophobicContact CD1-CD1 4.48Å; I135-I141 HydrophobicContact CB-CD1 4.5Å; I135-I141 HydrophobicContact CD1-CD1 4.22Å; I135-I141 HydrophobicContact CG1-CD1 3.78Å; I135-I141 HydrophobicContact CG2-CD1 4.42Å
136T97.9Very high95.6Very high18 Ų1831.9 Ų31.911%0.1116%0.161CC..  trans-78.9165.717466.80000111.2H138 S139 V140 K142T136-H138 PolarHBondContact O-N 3.45Å; T136-H138 PolarHBondContact OG1-N 2.93Å; T136-S139 PolarHBondContact O-N 3.34Å; T136-V140 HydrophobicContact CG2-CB 4.35Å; T136-V140 WeakPolarHBondContact CG2-O 3.43Å; T136-V140 PolarHBondContact N-O 3.03Å; T136-V140 WeakPolarHBondContact OG1-CB 3.41Å; T136-V140 PolarHBondContact OG1-N 3.43Å; T136-V140 VanDerWaalsContact OG1-N 3.12Å; T136-V140 PolarHBondContact OG1-O 3.35Å; T136-K142 HydrophobicContact CG2-CG 3.87Å
137K95.9Very high95Very high159 Ų15931 Ų3169%0.69116%0.158SC*.THydrogen-bonded Turntrans-58.3-13.2173.469.3178.9-176.1174.80115.1D85D85-K137 HydrophobicContact CB-CB 4.43Å
138H96.6Very high94.2Very high136 Ų13631.7 Ų31.763%0.6316%0.161SC*.THydrogen-bonded Turntrans-106.518.6178-60.5-60.3000112.1T136 V140T136-H138 PolarHBondContact O-N 3.45Å; T136-H138 PolarHBondContact OG1-N 2.93Å; H138-V140 HydrophobicContact CB-CG2 4.47Å; H138-V140 PolarHBondContact O-N 3.24Å; H138-V140 VanDerWaalsContact O-N 3.13Å
139S96.6Very high93.2Very high68 Ų6831.6 Ų31.648%0.47616%0.16SC..SBendtrans60.221.9179.6-51.20000114.8Q110 T136Q110-S139 PolarHBondContact NE2-O 3.49Å; Q110-S139 VanDerWaalsContact NE2-O 3.09Å; T136-S139 PolarHBondContact O-N 3.34Å
140V98.4Very high92.3Very high48 Ų4831.7 Ų31.729%0.29116%0.16SC..  trans-83.4126.7170-176.90000108.9T136 H138T136-V140 HydrophobicContact CG2-CB 4.35Å; T136-V140 WeakPolarHBondContact CG2-O 3.43Å; T136-V140 PolarHBondContact N-O 3.03Å; T136-V140 WeakPolarHBondContact OG1-CB 3.41Å; T136-V140 PolarHBondContact OG1-N 3.43Å; T136-V140 VanDerWaalsContact OG1-N 3.12Å; T136-V140 PolarHBondContact OG1-O 3.35Å; H138-V140 HydrophobicContact CB-CG2 4.47Å; H138-V140 PolarHBondContact O-N 3.24Å; H138-V140 VanDerWaalsContact O-N 3.13Å
141I98.6Very high91.3Very high2 Ų234.2 Ų34.21%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-77.4140.2176.1-59.7-54.7000110.4N63 I107 Q110 I133 L134 I135N63-I141 WeakPolarHBondContact CA-O 3.39Å; N63-I141 WeakPolarHBondContact CB-O 3.34Å; N63-I141 PolarHBondContact ND2-O 3.4Å; I107-I141 HydrophobicContact CB-CD1 4.38Å; I107-I141 HydrophobicContact CG1-CD1 3.95Å; I107-I141 HydrophobicContact CG2-CD1 4.4Å; Q110-I141 HydrophobicContact CB-CB 3.64Å; Q110-I141 HydrophobicContact CB-CG1 3.61Å; Q110-I141 HydrophobicContact CB-CG2 4.44Å; Q110-I141 HydrophobicContact CG-CG1 4.28Å; I133-I141 HydrophobicContact CG2-CD1 4.44Å; I133-I141 HydrophobicContact CG2-CG2 3.44Å; I133-I141 VanDerWaalsContact CG2-CG2 3.44Å; L134-I141 CarbonylContact O-C 3.57Å; L134-I141 WeakPolarHBondContact O-CA 3.27Å; I135-I141 HydrophobicContact CB-CD1 4.5Å; I135-I141 HydrophobicContact CD1-CD1 4.22Å; I135-I141 HydrophobicContact CG1-CD1 3.78Å; I135-I141 HydrophobicContact CG2-CD1 4.42Å
142K98.6Very high90Very high23 Ų2334.4 Ų34.410%0.118%0.176CC..EExtended strand (participates in β ladder)trans-133.6106176.1-61.7-71.9-172.7159.40109.3P62 N63 L64 V65 E82 L134 T136P62-K142 VanDerWaalsContact O-CD 3.27Å; P62-K142 WeakPolarHBondContact O-CD 3.35Å; P62-K142 WeakPolarHBondContact O-CE 3.44Å; P62-K142 PolarHBondContact O-NZ 3.01Å; N63-K142 WeakPolarHBondContact O-CA 3.34Å; L64-K142 WeakPolarHBondContact O-CD 3.44Å; V65-K142 HydrophobicContact CB-CB 4.46Å; E82-K142 WeakPolarHBondContact OE1-CE 3.4Å; E82-K142 IonicContact OE1-NZ 3.98Å; E82-K142 PolarHBondContact OE1-NZ 3.23Å; E82-K142 WeakPolarHBondContact OE2-CE 3.49Å; E82-K142 IonicContact OE2-NZ 3.61Å; E82-K142 PolarHBondContact OE2-NZ 2.87Å; L134-K142 WeakPolarHBondContact CA-O 3.45Å; L134-K142 HydrophobicContact CB-CB 4.17Å; L134-K142 VanDerWaalsContact CB-O 3.29Å; L134-K142 WeakPolarHBondContact CB-O 3.36Å; L134-K142 WeakPolarHBondContact CG-O 3.23Å; L134-K142 PolarHBondContact N-O 2.92Å; L134-K142 PolarHBondContact O-N 2.87Å; T136-K142 HydrophobicContact CG2-CG 3.87Å
143L98.3Very high87.9Confident0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-72.9134.3173.2-174.566000110N63 L64 V65 A114 V115 H125 I133N63-L143 PolarHBondContact O-N 3.46Å; L64-L143 HydrophobicContact CD2-CB 3.81Å; L64-L143 HydrophobicContact CD2-CD2 4.25Å; L64-L143 HydrophobicContact CD2-CG 4.46Å; V65-L143 PolarHBondContact N-O 3.5Å; A114-L143 HydrophobicContact CB-CB 4.02Å; A114-L143 HydrophobicContact CB-CD2 4.18Å; V115-L143 HydrophobicContact CG2-CD2 3.77Å; H125-L143 VanDerWaalsContact CD2-CD2 3.41Å; H125-L143 WeakPolarHBondContact CD2-CD2 3.36Å; I133-L143 HydrophobicContact CG1-CD1 4.11Å
144C94.3Very high85.5Confident18 Ų1840.6 Ų40.612%0.12223%0.225CC..  trans-131.7178-178.175.40000113.5V65 H125 N132 L134V65-C144 HydrophobicContact CB-CB 4.07Å; V65-C144 HydrophobicContact CG1-CB 3.6Å; H125-C144 PolarHBondContact CE1-O 3.31Å; H125-C144 VanDerWaalsContact CE1-O 3.23Å; H125-C144 PolarHBondContact NE2-O 3.23Å; N132-C144 PolarHBondContact O-N 2.88Å; N132-C144 PolarHBondContact O-SG 3.4Å; N132-C144 VanDerWaalsContact O-SG 3.34Å; L134-C144 HydrophobicContact CD1-CB 3.79Å; L134-C144 HydrophobicContact CG-CB 4.12Å
145D87.4Confident82.6Confident33 Ų3345.5 Ų45.518%0.17626%0.259CS..  trans67.565.3177.4-154.312.5000115.5K34 H125 G147K34-D145 IonicContact NZ-OD1 3.34Å; K34-D145 PolarHBondContact NZ-OD1 2.81Å; K34-D145 VanDerWaalsContact NZ-OD1 3.1Å; H125-D145 PolarHBondContact CE1-O 3.49Å; D145-G147 PolarHBondContact O-N 2.93Å
146F85.4Confident79.9Confident0 Ų049.8 Ų49.80%029%0.289CS..G310 helixtrans-79.711.3175.4-73.1-99000113.6E52 M55 L56 L59 L64 H125 F148 A149E52-F146 HydrophobicContact CG-CB 4.46Å; M55-F146 HydrophobicContact CB-CB 3.94Å; M55-F146 HydrophobicContact CB-CD1 4.08Å; M55-F146 HydrophobicContact CB-CG 4.22Å; M55-F146 HydrophobicContact CG-CB 4.27Å; M55-F146 HydrophobicContact CG-CD1 4.4Å; L56-F146 HydrophobicContact CD1-CD2 4.44Å; L56-F146 HydrophobicContact CD2-CD2 3.52Å; L56-F146 HydrophobicContact CD2-CE2 3.76Å; L56-F146 HydrophobicContact CD2-CG 4.23Å; L56-F146 HydrophobicContact CG-CD2 4.07Å; L56-F146 HydrophobicContact CG-CG 4.44Å; L59-F146 HydrophobicContact CD1-CD1 4.3Å; L59-F146 HydrophobicContact CD1-CE1 3.91Å; L64-F146 HydrophobicContact CD1-CZ 4.1Å; L64-F146 HydrophobicContact CD2-CE2 4.14Å; L64-F146 HydrophobicContact CD2-CZ 3.65Å; L64-F146 HydrophobicContact CG-CZ 4.42Å; H125-F146 AromaticContact CD2-CE1 3.79Å; H125-F146 AromaticContact CD2-CZ 3.78Å; F146-F148 PolarHBondContact O-N 3.48Å; F146-F148 VanDerWaalsContact O-N 3.17Å; F146-A149 HydrophobicContact CB-CB 4.03Å; F146-A149 HydrophobicContact CD1-CB 3.74Å; F146-A149 HydrophobicContact CG-CB 4.35Å; F146-A149 WeakPolarHBondContact O-CB 3.45Å; F146-A149 PolarHBondContact O-N 3.38Å
147G77.9Confident77.2Confident0 Ų052.6 Ų52.60%030%0.304CS..G310 helixtrans-60.2-26.2179.100000113.1R51 D145R51-G147 WeakPolarHBondContact CD-O 3.46Å; R51-G147 PolarHBondContact NH1-O 2.98Å; D145-G147 PolarHBondContact O-N 2.93Å
148F75.9Confident74.7Confident24 Ų2454.6 Ų54.611%0.10531%0.308CS..G310 helixtrans-102.7-1.6176.9-63.7-69.5000114.4Y16 R126 D127 F146 Y162Y16-F148 HydrophobicContact CE2-CE1 4.36Å; Y16-F148 HydrophobicContact CE2-CE2 4.1Å; Y16-F148 AromaticContact CE2-CZ 3.54Å; Y16-F148 HydrophobicContact CE2-CZ 3.54Å; R126-F148 PolarHBondContact NE-O 3.26Å; R126-F148 PolarHBondContact NH2-O 2.94Å; D127-F148 HydrophobicContact CB-CD2 4.46Å; F146-F148 PolarHBondContact O-N 3.48Å; F146-F148 VanDerWaalsContact O-N 3.17Å; F148-Y162 HydrophobicContact CB-CE2 4.1Å; F148-Y162 AromaticContact CD1-CD2 3.92Å; F148-Y162 HydrophobicContact CD1-CD2 3.92Å; F148-Y162 AromaticContact CD1-CE2 3.5Å; F148-Y162 HydrophobicContact CD1-CE2 3.5Å; F148-Y162 VanDerWaalsContact CD1-CE2 3.5Å; F148-Y162 AromaticContact CD2-CE2 3.79Å; F148-Y162 HydrophobicContact CD2-CE2 3.79Å; F148-Y162 AromaticContact CE1-CD2 3.97Å; F148-Y162 HydrophobicContact CE1-CD2 3.97Å; F148-Y162 AromaticContact CE1-CE2 3.66Å; F148-Y162 HydrophobicContact CE1-CE2 3.66Å; F148-Y162 AromaticContact CE2-CE2 3.94Å; F148-Y162 HydrophobicContact CE2-CE2 3.94Å; F148-Y162 HydrophobicContact CG-CD2 4.37Å; F148-Y162 AromaticContact CG-CE2 3.53Å; F148-Y162 HydrophobicContact CG-CE2 3.53Å; F148-Y162 HydrophobicContact CZ-CD2 4.46Å; F148-Y162 AromaticContact CZ-CE2 3.84Å; F148-Y162 HydrophobicContact CZ-CE2 3.84Å
149A76.9Confident72.6Confident0 Ų050 Ų500%029%0.286CS..  trans-64.3154.3-178.600000111.8R51 M55 I124 H125 F146R51-A149 WeakPolarHBondContact CD-O 3.5Å; R51-A149 PolarHBondContact NE-O 3.23Å; M55-A149 HydrophobicContact CG-CB 4.2Å; I124-A149 CarbonylContact O-C 3.19Å; I124-A149 WeakPolarHBondContact O-CA 3.46Å; I124-A149 WeakPolarHBondContact O-CB 3.1Å; H125-A149 WeakPolarHBondContact O-CA 3.4Å; F146-A149 HydrophobicContact CB-CB 4.03Å; F146-A149 HydrophobicContact CD1-CB 3.74Å; F146-A149 HydrophobicContact CG-CB 4.35Å; F146-A149 WeakPolarHBondContact O-CB 3.45Å; F146-A149 PolarHBondContact O-N 3.38Å
150R77.8Confident70.3Confident23 Ų2350.9 Ų50.99%0.08729%0.288CS..EExtended strand (participates in β ladder)trans-135138.2178-68.6-167.5-180-1396.3111.7C123 I124 Y158 Y159 T160C123-R150 WeakPolarHBondContact CA-O 3.46Å; I124-R150 PolarHBondContact N-O 3.2Å; I124-R150 PolarHBondContact O-N 3.05Å; R150-Y158 PolarHBondContact NH1-O 2.82Å; R150-Y159 HydrophobicContact CB-CE1 4.39Å; R150-Y159 HydrophobicContact CG-CE1 4.42Å; R150-Y159 VanDerWaalsContact NH1-CA 3.33Å; R150-Y159 VanDerWaalsContact NH1-CG 3.28Å; R150-Y159 VanDerWaalsContact NH2-CA 3.29Å; R150-T160 PolarHBondContact NH2-OG1 3.31Å; R150-T160 VanDerWaalsContact NH2-OG1 3.09Å
151L75.8Confident67.8Low53 Ų5354.7 Ų54.728%0.27731%0.307SS..EExtended strand (participates in β ladder)trans-80.1137.8167.6-66176.9000108.9M55 N122 C123 T153M55-L151 HydrophobicContact CE-CD1 3.7Å; M55-L151 HydrophobicContact CE-CD2 3.76Å; M55-L151 HydrophobicContact CE-CG 3.53Å; M55-L151 HydrophobicContact SD-CD2 3.79Å; M55-L151 HydrophobicContact SD-CG 4.1Å; N122-L151 CarbonylContact O-C 3.52Å; N122-L151 VanDerWaalsContact O-CA 3.29Å; N122-L151 WeakPolarHBondContact O-CA 3.48Å; C123-L151 HydrophobicContact CB-CD2 4.43Å; L151-T153 VanDerWaalsContact C-N 3.3Å; L151-T153 HydrophobicContact CB-CG2 4.02Å; L151-T153 PolarHBondContact O-N 2.99Å
152L67.6Low65.6Low65 Ų6556.3 Ų56.334%0.3431%0.313SS..  trans-75.684168.3-67.7169.7000108.4N122 I124 P182N122-L152 HydrophobicContact CB-CB 4.14Å; N122-L152 PolarHBondContact O-N 2.91Å; I124-L152 HydrophobicContact CD1-CD2 3.63Å; I124-L152 HydrophobicContact CD1-CG 4.11Å; I124-L152 HydrophobicContact CG1-CD2 4.35Å; I124-L152 HydrophobicContact CG1-CG 4.3Å; L152-P182 HydrophobicContact CD1-CG 4.13Å
153T50.8Low63.3Low89 Ų8960.9 Ų60.955%0.54634%0.343SS..  trans-10982.217745.30000111L151 D157L151-T153 VanDerWaalsContact C-N 3.3Å; L151-T153 HydrophobicContact CB-CG2 4.02Å; L151-T153 PolarHBondContact O-N 2.99Å; T153-D157 PolarHBondContact OG1-OD2 2.83Å
154G49.1Very low61.4Low54 Ų5462 Ų6256%0.55735%0.352SS*.SBendtrans67.5168.4169.800000116.3S156G154-S156 PolarHBondContact O-N 3.4Å; G154-S156 VanDerWaalsContact O-N 3.08Å
155P36.8Very low60.6Low133 Ų13363.3 Ų63.386%0.86436%0.359SS*.THydrogen-bonded Turntrans-86.769.2-16934.3-34.2000112
156S41.5Very low60.7Low99 Ų9965.2 Ų65.269%0.69236%0.364SS*.THydrogen-bonded Turntrans-167.417.1169.8-4.10000117.3G154 Y158G154-S156 PolarHBondContact O-N 3.4Å; G154-S156 VanDerWaalsContact O-N 3.08Å; S156-Y158 PolarHBondContact O-N 3.48Å
157D40.5Very low61.2Low77 Ų7769.2 Ų69.241%0.41238%0.379SS..  trans-86.6107179.9-83.1-20000111.3T153 Y159T153-D157 PolarHBondContact OG1-OD2 2.83Å; D157-Y159 WeakPolarHBondContact O-CD2 3.33Å; D157-Y159 WeakPolarHBondContact O-CE2 3.5Å; D157-Y159 PolarHBondContact O-N 3.08Å
158Y43.3Very low62.2Low202 Ų20270 Ų7079%0.79238%0.382SS*.  trans-62.3127.2169.1-71.1-89000110.1R150 S156R150-Y158 PolarHBondContact NH1-O 2.82Å; S156-Y158 PolarHBondContact O-N 3.48Å
159Y52.3Low63.1Low39 Ų3969.8 Ų69.815%0.15338%0.381CS..  trans-98.5107.6-172.7-62.1-96.5000112.7R150 D157 T178 Y180R150-Y159 HydrophobicContact CB-CE1 4.39Å; R150-Y159 HydrophobicContact CG-CE1 4.42Å; R150-Y159 VanDerWaalsContact NH1-CA 3.33Å; R150-Y159 VanDerWaalsContact NH1-CG 3.28Å; R150-Y159 VanDerWaalsContact NH2-CA 3.29Å; D157-Y159 WeakPolarHBondContact O-CD2 3.33Å; D157-Y159 WeakPolarHBondContact O-CE2 3.5Å; D157-Y159 PolarHBondContact O-N 3.08Å; Y159-T178 WeakPolarHBondContact CD2-O 2.93Å; Y159-T178 VanDerWaalsContact CE2-O 3.3Å; Y159-T178 WeakPolarHBondContact CE2-O 3.39Å; Y159-Y180 WeakPolarHBondContact CB-OH 3.47Å; Y159-Y180 AromaticContact CD1-CE1 3.9Å; Y159-Y180 HydrophobicContact CD1-CE1 3.9Å; Y159-Y180 AromaticContact CD1-CE2 3.76Å; Y159-Y180 HydrophobicContact CD1-CE2 3.76Å; Y159-Y180 AromaticContact CD1-CZ 3.24Å; Y159-Y180 WeakPolarHBondContact CD1-OH 3.34Å; Y159-Y180 HydrophobicContact CD2-CD1 4.44Å; Y159-Y180 AromaticContact CD2-CE1 3.8Å; Y159-Y180 HydrophobicContact CD2-CE1 3.8Å; Y159-Y180 AromaticContact CD2-CZ 3.99Å; Y159-Y180 HydrophobicContact CE1-CE2 4.09Å; Y159-Y180 AromaticContact CG-CE1 3.5Å; Y159-Y180 HydrophobicContact CG-CE1 3.5Å; Y159-Y180 HydrophobicContact CG-CE2 4.23Å; Y159-Y180 AromaticContact CG-CZ 3.36Å
160T48.3Very low64.1Low86 Ų8669.8 Ų69.853%0.52838%0.381SS..  trans-47.1137.7173.659.30000115.5R150R150-T160 PolarHBondContact NH2-OG1 3.31Å; R150-T160 VanDerWaalsContact NH2-OG1 3.09Å
161D46.1Very low65.1Low128 Ų12868.7 Ų68.768%0.68438%0.377SS*.  trans-60.9148.5170.1-80.7-32.8000113.2
162Y52.1Low66.1Low37 Ų3766.3 Ų66.315%0.14536%0.364CS..  trans-116.6137-155.9-172.3-127.8000112.3D127 F148 A164 R169D127-Y162 VanDerWaalsContact CB-OH 3.22Å; D127-Y162 WeakPolarHBondContact CB-OH 3.34Å; D127-Y162 PolarHBondContact OD1-OH 3.29Å; D127-Y162 PolarHBondContact OD2-OH 3.35Å; D127-Y162 VanDerWaalsContact OD2-OH 3.1Å; F148-Y162 HydrophobicContact CB-CE2 4.1Å; F148-Y162 AromaticContact CD1-CD2 3.92Å; F148-Y162 HydrophobicContact CD1-CD2 3.92Å; F148-Y162 AromaticContact CD1-CE2 3.5Å; F148-Y162 HydrophobicContact CD1-CE2 3.5Å; F148-Y162 VanDerWaalsContact CD1-CE2 3.5Å; F148-Y162 AromaticContact CD2-CE2 3.79Å; F148-Y162 HydrophobicContact CD2-CE2 3.79Å; F148-Y162 AromaticContact CE1-CD2 3.97Å; F148-Y162 HydrophobicContact CE1-CD2 3.97Å; F148-Y162 AromaticContact CE1-CE2 3.66Å; F148-Y162 HydrophobicContact CE1-CE2 3.66Å; F148-Y162 AromaticContact CE2-CE2 3.94Å; F148-Y162 HydrophobicContact CE2-CE2 3.94Å; F148-Y162 HydrophobicContact CG-CD2 4.37Å; F148-Y162 AromaticContact CG-CE2 3.53Å; F148-Y162 HydrophobicContact CG-CE2 3.53Å; F148-Y162 HydrophobicContact CZ-CD2 4.46Å; F148-Y162 AromaticContact CZ-CE2 3.84Å; F148-Y162 HydrophobicContact CZ-CE2 3.84Å; Y162-A164 HydrophobicContact CD1-CB 4.27Å; Y162-A164 HydrophobicContact CE1-CB 3.42Å; Y162-A164 VanDerWaalsContact CE1-CB 3.42Å; Y162-A164 HydrophobicContact CE2-CB 3.97Å; Y162-A164 WeakPolarHBondContact OH-CB 3.46Å; Y162-R169 VanDerWaalsContact C-NH2 3.27Å; Y162-R169 HydrophobicContact CD1-CG 4.49Å; Y162-R169 VanDerWaalsContact CD1-NE 3.29Å; Y162-R169 PolarHBondContact O-NH1 2.96Å; Y162-R169 PolarHBondContact O-NH2 2.82Å
163V50.3Low67.3Low118 Ų11864.9 Ų64.972%0.71536%0.357SS*.  trans-118.553.6-178.2-165.40000111.6
164A59.5Low69.4Low23 Ų2360.8 Ų60.819%0.1933%0.331CS..SBendtrans-126.5178.2168.700000113Y162 R166 R169Y162-A164 HydrophobicContact CD1-CB 4.27Å; Y162-A164 HydrophobicContact CE1-CB 3.42Å; Y162-A164 VanDerWaalsContact CE1-CB 3.42Å; Y162-A164 HydrophobicContact CE2-CB 3.97Å; Y162-A164 WeakPolarHBondContact OH-CB 3.46Å; A164-R166 PolarHBondContact O-N 3.32Å; A164-R166 VanDerWaalsContact O-N 3.16Å; A164-R169 VanDerWaalsContact N-NH2 3.1Å; A164-R169 PolarHBondContact O-NH2 3.46Å
165T76.2Confident71.6Confident46 Ų4658.2 Ų58.228%0.28231%0.305SS..  trans-47.1117.3177.3-46.20000111.3W167 Y168T165-W167 VanDerWaalsContact C-N 3.33Å; T165-W167 HydrophobicContact CG2-CB 4.25Å; T165-W167 HydrophobicContact CG2-CD2 3.83Å; T165-W167 HydrophobicContact CG2-CE3 4Å; T165-W167 HydrophobicContact CG2-CG 3.94Å; T165-W167 PolarHBondContact O-N 2.99Å; T165-Y168 HydrophobicContact CG2-CD2 4.25Å; T165-Y168 HydrophobicContact CG2-CE2 3.9Å
166R91.1Very high74.2Confident74 Ų7453 Ų5328%0.27928%0.275SS..G310 helixtrans-78.1-15.7-172.865.1178.758.775.62114.7A164 Y168 R169 G205 K206 S207 D208A164-R166 PolarHBondContact O-N 3.32Å; A164-R166 VanDerWaalsContact O-N 3.16Å; R166-Y168 PolarHBondContact O-N 2.99Å; R166-Y168 VanDerWaalsContact O-N 3.11Å; R166-R169 WeakPolarHBondContact O-CB 3.43Å; R166-R169 PolarHBondContact O-N 3.42Å; R166-G205 WeakPolarHBondContact CD-O 3.17Å; R166-K206 PolarHBondContact NH1-O 3.18Å; R166-S207 VanDerWaalsContact CD-C 3.47Å; R166-S207 WeakPolarHBondContact CD-O 3.34Å; R166-D208 IonicContact CZ-OD1 3.71Å; R166-D208 IonicContact NE-OD1 3.1Å; R166-D208 PolarHBondContact NE-OD1 3.49Å
167W96.3Very high76.6Confident84 Ų8448.7 Ų48.732%0.31824%0.244SC..G310 helixtrans-60-26.5-171.5-54.6-17.7000114T165 P201 P204 G205 Q211T165-W167 VanDerWaalsContact C-N 3.33Å; T165-W167 HydrophobicContact CG2-CB 4.25Å; T165-W167 HydrophobicContact CG2-CD2 3.83Å; T165-W167 HydrophobicContact CG2-CE3 4Å; T165-W167 HydrophobicContact CG2-CG 3.94Å; T165-W167 PolarHBondContact O-N 2.99Å; W167-P201 HydrophobicContact CD2-CB 4.31Å; W167-P201 HydrophobicContact CE3-CB 3.69Å; W167-P201 HydrophobicContact CE3-CG 3.6Å; W167-P201 HydrophobicContact CH2-CG 4.22Å; W167-P201 HydrophobicContact CZ3-CB 4.04Å; W167-P201 HydrophobicContact CZ3-CG 3.41Å; W167-P201 VanDerWaalsContact CZ3-CG 3.41Å; W167-P204 HydrophobicContact CD2-CB 4.32Å; W167-P204 HydrophobicContact CZ2-CB 4.07Å; W167-G205 PolarHBondContact NE1-O 2.9Å; W167-Q211 PolarHBondContact O-NE2 3.39Å
168Y97.4Very high78.8Confident15 Ų1548 Ų486%0.05924%0.243CC..G310 helixtrans-1043.4-178.3-45.3-81.9000113.3K129 P130 T165 R166 A188 C191 V192 E195K129-Y168 HydrophobicContact CB-CD2 3.49Å; K129-Y168 VanDerWaalsContact CB-CD2 3.49Å; K129-Y168 HydrophobicContact CB-CE2 3.57Å; K129-Y168 HydrophobicContact CB-CG 4.01Å; P130-Y168 WeakPolarHBondContact CD-OH 3.19Å; P130-Y168 HydrophobicContact CG-CE1 4.18Å; P130-Y168 WeakPolarHBondContact CG-OH 3.4Å; T165-Y168 HydrophobicContact CG2-CD2 4.25Å; T165-Y168 HydrophobicContact CG2-CE2 3.9Å; R166-Y168 PolarHBondContact O-N 2.99Å; R166-Y168 VanDerWaalsContact O-N 3.11Å; Y168-A188 WeakPolarHBondContact O-CB 3.4Å; Y168-C191 HydrophobicContact CD1-CB 3.74Å; Y168-C191 HydrophobicContact CE1-CB 4.49Å; Y168-V192 HydrophobicContact CD1-CG2 3.95Å; Y168-V192 HydrophobicContact CE1-CG2 4.01Å; Y168-E195 VanDerWaalsContact CE1-OE2 3.29Å; Y168-E195 WeakPolarHBondContact CE1-OE2 3.48Å; Y168-E195 PolarHBondContact OH-OE2 3.43Å
169R95.8Very high80.9Confident20 Ų2044.7 Ų44.78%0.07524%0.235CC..  trans-78.1138179.5-63.9179.7-167.6-163.7-0.3110.2Y162 A164 R166 L173 L174 W187Y162-R169 VanDerWaalsContact C-NH2 3.27Å; Y162-R169 HydrophobicContact CD1-CG 4.49Å; Y162-R169 VanDerWaalsContact CD1-NE 3.29Å; Y162-R169 PolarHBondContact O-NH1 2.96Å; Y162-R169 PolarHBondContact O-NH2 2.82Å; A164-R169 VanDerWaalsContact N-NH2 3.1Å; A164-R169 PolarHBondContact O-NH2 3.46Å; R166-R169 WeakPolarHBondContact O-CB 3.43Å; R166-R169 PolarHBondContact O-N 3.42Å; R169-L173 HydrophobicContact CB-CB 4.37Å; R169-L174 HydrophobicContact CB-CD1 4.48Å; R169-L174 HydrophobicContact CB-CD2 3.94Å; R169-L174 HydrophobicContact CB-CG 3.91Å; R169-W187 PolarHBondContact O-NE1 2.9Å
170S97.6Very high82.7Confident0 Ų044.1 Ų44.10%023%0.233CC..  trans-74.9160.4174.960.20000112.5E172 L173 L174 W187S170-E172 VanDerWaalsContact C-N 3.29Å; S170-E172 VanDerWaalsContact CB-CD 3.43Å; S170-E172 WeakPolarHBondContact CB-OE1 3.44Å; S170-E172 WeakPolarHBondContact CB-OE2 2.99Å; S170-E172 PolarHBondContact O-N 3.29Å; S170-E172 PolarHBondContact OG-OE1 3.26Å; S170-E172 PolarHBondContact OG-OE2 3.35Å; S170-L173 PolarHBondContact O-N 3.44Å; S170-L174 WeakPolarHBondContact O-CG 3.33Å; S170-L174 PolarHBondContact O-N 2.98Å; S170-W187 VanDerWaalsContact CA-CD1 3.43Å
171P98.1Very high84.8Confident0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-54-42.7-179.6-27.435.8000113.3L173 L174 V175 W187 I215 L222 M271P171-L173 VanDerWaalsContact C-N 3.29Å; P171-L173 PolarHBondContact O-N 3.15Å; P171-L174 PolarHBondContact O-N 3.46Å; P171-L174 VanDerWaalsContact O-N 3.13Å; P171-V175 WeakPolarHBondContact O-CG2 3.33Å; P171-V175 PolarHBondContact O-N 3.08Å; P171-W187 HydrophobicContact CG-CH2 3.67Å; P171-W187 HydrophobicContact CG-CZ2 4.03Å; P171-W187 HydrophobicContact CG-CZ3 3.97Å; P171-I215 HydrophobicContact CG-CG2 4.38Å; P171-L222 HydrophobicContact CB-CD2 3.83Å; P171-M271 HydrophobicContact CB-SD 4.46Å; P171-M271 HydrophobicContact CG-SD 3.81Å
172E96.8Very high87.2Confident3 Ų336.6 Ų36.61%0.01420%0.195CC..Hα-helixtrans-61.3-35.2177.960.5-82.6-170.400112.9S170 G176 D177 V184 H226 R276S170-E172 VanDerWaalsContact C-N 3.29Å; S170-E172 VanDerWaalsContact CB-CD 3.43Å; S170-E172 WeakPolarHBondContact CB-OE1 3.44Å; S170-E172 WeakPolarHBondContact CB-OE2 2.99Å; S170-E172 PolarHBondContact O-N 3.29Å; S170-E172 PolarHBondContact OG-OE1 3.26Å; S170-E172 PolarHBondContact OG-OE2 3.35Å; E172-G176 PolarHBondContact O-N 3.08Å; E172-D177 HydrophobicContact CB-CB 4.23Å; E172-D177 WeakPolarHBondContact O-CB 3.45Å; E172-D177 PolarHBondContact O-N 3Å; E172-V184 HydrophobicContact CG-CG1 4.07Å; E172-V184 WeakPolarHBondContact OE1-CG1 3.37Å; E172-H226 WeakPolarHBondContact CB-NE2 3.43Å; E172-H226 IonicContact OE2-CE1 3.3Å; E172-R276 IonicContact OE1-CZ 2.81Å; E172-R276 IonicContact OE1-NH1 2.91Å; E172-R276 PolarHBondContact OE1-NH1 3Å; E172-R276 IonicContact OE1-NH2 2.85Å; E172-R276 PolarHBondContact OE1-NH2 3.39Å; E172-R276 IonicContact OE2-CZ 2.96Å; E172-R276 IonicContact OE2-NH1 3.92Å; E172-R276 IonicContact OE2-NH2 2.8Å; E172-R276 PolarHBondContact OE2-NH2 3.26Å
173L93.8Very high89.4Confident35 Ų3536.5 Ų36.518%0.18320%0.199CC..Hα-helixtrans-74.5-34.8174.8-68.5179.6000112R169 S170 P171 G176 Y180 V184R169-L173 HydrophobicContact CB-CB 4.37Å; S170-L173 PolarHBondContact O-N 3.44Å; P171-L173 VanDerWaalsContact C-N 3.29Å; P171-L173 PolarHBondContact O-N 3.15Å; L173-G176 PolarHBondContact O-N 3.4Å; L173-Y180 HydrophobicContact CD2-CD1 3.78Å; L173-Y180 HydrophobicContact CD2-CD2 4.1Å; L173-Y180 HydrophobicContact CD2-CE1 3.71Å; L173-Y180 HydrophobicContact CD2-CE2 4.06Å; L173-Y180 HydrophobicContact CD2-CG 3.92Å; L173-V184 HydrophobicContact CD1-CB 3.93Å; L173-V184 HydrophobicContact CD1-CG1 4.03Å; L173-V184 HydrophobicContact CD1-CG2 4.47Å; L173-V184 HydrophobicContact CD2-CG1 4.28Å; L173-V184 HydrophobicContact CG-CB 4.4Å; L173-V184 HydrophobicContact CG-CG1 3.94Å
174L94.8Very high91.7Very high3 Ų331 Ų312%0.01617%0.166CC..Hα-helixtrans-72.9-36.3-178.7-71.4166.1000112.7R169 S170 P171 G176 D208 Q211 L212 I215 F236R169-L174 HydrophobicContact CB-CD1 4.48Å; R169-L174 HydrophobicContact CB-CD2 3.94Å; R169-L174 HydrophobicContact CB-CG 3.91Å; S170-L174 WeakPolarHBondContact O-CG 3.33Å; S170-L174 PolarHBondContact O-N 2.98Å; P171-L174 PolarHBondContact O-N 3.46Å; P171-L174 VanDerWaalsContact O-N 3.13Å; L174-G176 PolarHBondContact O-N 3.27Å; L174-D208 HydrophobicContact CD2-CB 4.23Å; L174-Q211 HydrophobicContact CD1-CB 4.17Å; L174-Q211 HydrophobicContact CD1-CG 3.5Å; L174-Q211 HydrophobicContact CD2-CB 4.15Å; L174-Q211 HydrophobicContact CD2-CG 3.9Å; L174-Q211 HydrophobicContact CG-CG 4.37Å; L174-L212 HydrophobicContact CB-CD1 4.24Å; L174-L212 HydrophobicContact CB-CD2 3.73Å; L174-L212 HydrophobicContact CB-CG 3.91Å; L174-L212 HydrophobicContact CD1-CD2 3.97Å; L174-L212 HydrophobicContact CD1-CG 4.22Å; L174-I215 HydrophobicContact CD1-CD1 3.56Å; L174-F236 VanDerWaalsContact O-CZ 3.31Å; L174-F236 WeakPolarHBondContact O-CZ 3.46Å
175V95.1Very high93.6Very high0 Ų030 Ų300%016%0.157CC..THydrogen-bonded Turntrans-77.6-11.2175.2-57.90000112.9P171 D177 L212 L222 H226 V229 F230 N233P171-V175 WeakPolarHBondContact O-CG2 3.33Å; P171-V175 PolarHBondContact O-N 3.08Å; V175-D177 HydrophobicContact CG2-CB 4.23Å; V175-L212 HydrophobicContact CG1-CD1 4.04Å; V175-L212 HydrophobicContact CG1-CD2 4.13Å; V175-L222 HydrophobicContact CG1-CD1 4.07Å; V175-H226 HydrophobicContact CG1-CB 4.27Å; V175-H226 HydrophobicContact CG2-CB 4.17Å; V175-V229 HydrophobicContact CB-CG1 4.26Å; V175-V229 HydrophobicContact CG2-CB 4.13Å; V175-V229 HydrophobicContact CG2-CG1 3.83Å; V175-F230 HydrophobicContact CB-CB 4.09Å; V175-F230 HydrophobicContact CB-CD2 4.48Å; V175-F230 HydrophobicContact CG1-CB 3.98Å; V175-F230 HydrophobicContact CG1-CD2 4.16Å; V175-N233 PolarHBondContact O-ND2 2.97Å
176G91Very high94.7Very high23 Ų2328 Ų2824%0.23715%0.145CC..THydrogen-bonded Turntrans80.431.1-177.800000113.5E172 L173 L174 T178E172-G176 PolarHBondContact O-N 3.08Å; L173-G176 PolarHBondContact O-N 3.4Å; L174-G176 PolarHBondContact O-N 3.27Å; G176-T178 PolarHBondContact O-N 3.06Å
177D91.9Very high95Very high9 Ų924.4 Ų24.45%0.04813%0.131CC..  trans-65.9135.7172.8-159.9-22000109.3E172 V175 Q179 Y180 R225 V229E172-D177 HydrophobicContact CB-CB 4.23Å; E172-D177 WeakPolarHBondContact O-CB 3.45Å; E172-D177 PolarHBondContact O-N 3Å; V175-D177 HydrophobicContact CG2-CB 4.23Å; D177-Q179 PolarHBondContact OD1-N 3.02Å; D177-Y180 VanDerWaalsContact O-CD1 3.27Å; D177-Y180 WeakPolarHBondContact O-CD1 3.22Å; D177-R225 IonicContact OD1-CZ 3.9Å; D177-R225 IonicContact OD1-NH2 2.9Å; D177-R225 PolarHBondContact OD1-NH2 3.18Å; D177-R225 IonicContact OD2-CZ 3.31Å; D177-R225 VanDerWaalsContact OD2-CZ 3.31Å; D177-R225 IonicContact OD2-NE 2.73Å; D177-R225 PolarHBondContact OD2-NE 3.38Å; D177-R225 IonicContact OD2-NH2 3.05Å; D177-R225 PolarHBondContact OD2-NH2 2.89Å; D177-V229 HydrophobicContact CB-CG1 4.12Å; D177-V229 HydrophobicContact CB-CG2 4.38Å
178T86.3Confident95.1Very high62 Ų6220.7 Ų20.738%0.3812%0.118SC..SBendtrans-89.2-12.3176.254.60000112Y159 G176Y159-T178 WeakPolarHBondContact CD2-O 2.93Å; Y159-T178 VanDerWaalsContact CE2-O 3.3Å; Y159-T178 WeakPolarHBondContact CE2-O 3.39Å; G176-T178 PolarHBondContact O-N 3.06Å
179Q87.6Confident95.2Very high134 Ų13420.1 Ų20.163%0.62612%0.116SC*.  trans-100.189.6175.9-59.6178.540.300109.4D177 R225D177-Q179 PolarHBondContact OD1-N 3.02Å; Q179-R225 VanDerWaalsContact NE2-NH2 3.2Å
180Y89.9Confident95.4Very high27 Ų2719.2 Ų19.211%0.10611%0.113CC..  trans-136.1166.2172.860.8-98.4000111R126 Y159 L173 D177 V184R126-Y180 PolarHBondContact NH1-OH 2.88Å; Y159-Y180 WeakPolarHBondContact CB-OH 3.47Å; Y159-Y180 AromaticContact CD1-CE1 3.9Å; Y159-Y180 HydrophobicContact CD1-CE1 3.9Å; Y159-Y180 AromaticContact CD1-CE2 3.76Å; Y159-Y180 HydrophobicContact CD1-CE2 3.76Å; Y159-Y180 AromaticContact CD1-CZ 3.24Å; Y159-Y180 WeakPolarHBondContact CD1-OH 3.34Å; Y159-Y180 HydrophobicContact CD2-CD1 4.44Å; Y159-Y180 AromaticContact CD2-CE1 3.8Å; Y159-Y180 HydrophobicContact CD2-CE1 3.8Å; Y159-Y180 AromaticContact CD2-CZ 3.99Å; Y159-Y180 HydrophobicContact CE1-CE2 4.09Å; Y159-Y180 AromaticContact CG-CE1 3.5Å; Y159-Y180 HydrophobicContact CG-CE1 3.5Å; Y159-Y180 HydrophobicContact CG-CE2 4.23Å; Y159-Y180 AromaticContact CG-CZ 3.36Å; L173-Y180 HydrophobicContact CD2-CD1 3.78Å; L173-Y180 HydrophobicContact CD2-CD2 4.1Å; L173-Y180 HydrophobicContact CD2-CE1 3.71Å; L173-Y180 HydrophobicContact CD2-CE2 4.06Å; L173-Y180 HydrophobicContact CD2-CG 3.92Å; D177-Y180 VanDerWaalsContact O-CD1 3.27Å; D177-Y180 WeakPolarHBondContact O-CD1 3.22Å; Y180-V184 HydrophobicContact CD2-CG1 4.01Å; Y180-V184 HydrophobicContact CG-CG1 4.22Å
181G93.5Very high95.4Very high16 Ų1619.3 Ų19.317%0.16511%0.113CC..  trans-146.9-162.5-172.900000113.4I124 P183 V184I124-G181 VanDerWaalsContact CD1-C 3.48Å; G181-P183 WeakPolarHBondContact O-CD 3.36Å; G181-P183 VanDerWaalsContact O-N 3.08Å; G181-V184 WeakPolarHBondContact O-CG1 3.28Å; G181-V184 WeakPolarHBondContact O-CG2 3.33Å; G181-V184 PolarHBondContact O-N 2.77Å
182P97Very high95.5Very high39 Ų3919.6 Ų19.625%0.25312%0.115SC..THydrogen-bonded Turntrans-45.6-32.7174.7-29.436.7000116.7H119 I124 L152 V184 D185H119-P182 PolarHBondContact CE1-O 3.09Å; H119-P182 VanDerWaalsContact CE1-O 3.24Å; I124-P182 HydrophobicContact CG1-CG 4.33Å; L152-P182 HydrophobicContact CD1-CG 4.13Å; P182-V184 PolarHBondContact O-N 3.39Å; P182-D185 PolarHBondContact O-N 3.33Å; P182-D185 VanDerWaalsContact O-N 3.08Å
183P98.4Very high95.6Very high35 Ų3519.5 Ų19.523%0.22712%0.115CC..Hα-helixtrans-60.3-15.1179.1-27.837.1000116.3G181 D185 V186 W187 P273 R276G181-P183 WeakPolarHBondContact O-CD 3.36Å; G181-P183 VanDerWaalsContact O-N 3.08Å; P183-D185 VanDerWaalsContact C-N 3.3Å; P183-V186 PolarHBondContact O-N 2.75Å; P183-W187 PolarHBondContact O-N 3.08Å; P183-W187 VanDerWaalsContact O-N 3.12Å; P183-P273 HydrophobicContact CB-CB 3.89Å; P183-P273 VanDerWaalsContact CB-O 3.31Å; P183-P273 WeakPolarHBondContact CB-O 3.31Å; P183-P273 HydrophobicContact CG-CB 4.4Å; P183-P273 WeakPolarHBondContact CG-O 3.32Å; P183-R276 HydrophobicContact CB-CB 4.47Å; P183-R276 PolarHBondContact O-NH1 2.94Å
184V97.9Very high95.8Very high4 Ų417.9 Ų17.92%0.02411%0.106CC..Hα-helixtrans-65.3-35.7173.5-54.70000111.6I124 R126 E172 L173 Y180 G181 P182 A188I124-V184 HydrophobicContact CG2-CG2 3.49Å; I124-V184 VanDerWaalsContact CG2-CG2 3.49Å; R126-V184 HydrophobicContact CG-CG2 4.37Å; E172-V184 HydrophobicContact CG-CG1 4.07Å; E172-V184 WeakPolarHBondContact OE1-CG1 3.37Å; L173-V184 HydrophobicContact CD1-CB 3.93Å; L173-V184 HydrophobicContact CD1-CG1 4.03Å; L173-V184 HydrophobicContact CD1-CG2 4.47Å; L173-V184 HydrophobicContact CD2-CG1 4.28Å; L173-V184 HydrophobicContact CG-CB 4.4Å; L173-V184 HydrophobicContact CG-CG1 3.94Å; Y180-V184 HydrophobicContact CD2-CG1 4.01Å; Y180-V184 HydrophobicContact CG-CG1 4.22Å; G181-V184 WeakPolarHBondContact O-CG1 3.28Å; G181-V184 WeakPolarHBondContact O-CG2 3.33Å; G181-V184 PolarHBondContact O-N 2.77Å; P182-V184 PolarHBondContact O-N 3.39Å; V184-A188 PolarHBondContact O-N 2.87Å
185D98.5Very high96Very high1 Ų118.2 Ų18.21%0.00511%0.108CC..Hα-helixtrans-74-34.3178.3-63.7-32.9000110.5V115 H119 I124 H125 R126 V128 P182 P183 A188 I189V115-D185 HydrophobicContact CG1-CB 3.66Å; H119-D185 IonicContact CD2-OD2 3.41Å; H119-D185 IonicContact CE1-OD2 2.79Å; H119-D185 IonicContact NE2-OD2 3.81Å; H119-D185 PolarHBondContact NE2-OD2 3.2Å; I124-D185 VanDerWaalsContact CG2-OD2 3.28Å; I124-D185 WeakPolarHBondContact CG2-OD2 3.41Å; H125-D185 PolarHBondContact N-OD1 2.85Å; H125-D185 PolarHBondContact N-OD2 2.96Å; R126-D185 WeakPolarHBondContact CA-OD1 3.44Å; R126-D185 PolarHBondContact N-OD1 3.23Å; V128-D185 HydrophobicContact CG2-CB 4.4Å; P182-D185 PolarHBondContact O-N 3.33Å; P182-D185 VanDerWaalsContact O-N 3.08Å; P183-D185 VanDerWaalsContact C-N 3.3Å; D185-A188 PolarHBondContact O-N 3.48Å; D185-I189 VanDerWaalsContact O-CG1 3.29Å; D185-I189 WeakPolarHBondContact O-CG1 3.23Å; D185-I189 PolarHBondContact O-N 3.18Å
186V98.9Very high96.1Very high3 Ų318.2 Ų18.22%0.01811%0.108CC..Hα-helixtrans-61.4-45.2175171.90000110.9P183 A188 I189 G190 C268 R276 L277 L282P183-V186 PolarHBondContact O-N 2.75Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.16Å; V186-I189 PolarHBondContact O-N 2.98Å; V186-G190 PolarHBondContact O-N 3.2Å; V186-C268 HydrophobicContact CG1-CB 4.03Å; V186-R276 HydrophobicContact CG1-CB 4.14Å; V186-L277 WeakPolarHBondContact CG1-O 3.48Å; V186-L282 HydrophobicContact CG1-CD1 3.87Å
187W98.9Very high96.5Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-57.3-47.5174.6176.9-83.8000111.9R169 S170 P171 P183 I189 G190 C191 W203 I215 L219 L269R169-W187 PolarHBondContact O-NE1 2.9Å; S170-W187 VanDerWaalsContact CA-CD1 3.43Å; P171-W187 HydrophobicContact CG-CH2 3.67Å; P171-W187 HydrophobicContact CG-CZ2 4.03Å; P171-W187 HydrophobicContact CG-CZ3 3.97Å; P183-W187 PolarHBondContact O-N 3.08Å; P183-W187 VanDerWaalsContact O-N 3.12Å; W187-I189 VanDerWaalsContact C-N 3.33Å; W187-I189 PolarHBondContact O-N 3.02Å; W187-G190 WeakPolarHBondContact O-CA 3.43Å; W187-G190 PolarHBondContact O-N 3.05Å; W187-G190 VanDerWaalsContact O-N 3.09Å; W187-C191 PolarHBondContact NE1-SG 3.46Å; W187-C191 VanDerWaalsContact NE1-SG 3.43Å; W187-C191 PolarHBondContact O-N 3.05Å; W187-C191 PolarHBondContact O-SG 3.44Å; W187-W203 AromaticContact CE2-CZ3 3.73Å; W187-W203 AromaticContact CH2-CH2 3.81Å; W187-W203 HydrophobicContact CH2-CH2 3.81Å; W187-W203 AromaticContact CH2-CZ3 3.85Å; W187-W203 HydrophobicContact CH2-CZ3 3.85Å; W187-W203 HydrophobicContact CZ2-CE3 4Å; W187-W203 AromaticContact CZ2-CH2 3.67Å; W187-W203 HydrophobicContact CZ2-CH2 3.67Å; W187-W203 AromaticContact CZ2-CZ3 3.2Å; W187-W203 HydrophobicContact CZ2-CZ3 3.2Å; W187-I215 HydrophobicContact CH2-CD1 4.48Å; W187-I215 HydrophobicContact CH2-CG2 3.68Å; W187-I215 HydrophobicContact CZ2-CD1 3.75Å; W187-I215 HydrophobicContact CZ2-CG1 4Å; W187-I215 HydrophobicContact CZ2-CG2 3.99Å; W187-L219 HydrophobicContact CH2-CD1 3.53Å; W187-L219 HydrophobicContact CZ3-CD1 3.85Å; W187-L269 HydrophobicContact CD2-CD2 3.81Å; W187-L269 HydrophobicContact CE3-CD2 3.83Å; W187-L269 HydrophobicContact CG-CD2 4.29Å; W187-L269 HydrophobicContact CZ2-CD2 4.48Å; W187-L269 HydrophobicContact CZ3-CB 4.4Å; W187-L269 HydrophobicContact CZ3-CD2 4.2Å
188A98.7Very high96.7Very high5 Ų520.3 Ų20.34%0.04112%0.116CC..Hα-helixtrans-61.5-40.2178.900000112V128 Y168 V184 D185 V186 G190 C191 V192V128-A188 HydrophobicContact CB-CB 3.87Å; V128-A188 HydrophobicContact CG1-CB 4.5Å; Y168-A188 WeakPolarHBondContact O-CB 3.4Å; V184-A188 PolarHBondContact O-N 2.87Å; D185-A188 PolarHBondContact O-N 3.48Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.16Å; A188-G190 VanDerWaalsContact C-N 3.34Å; A188-G190 PolarHBondContact O-N 2.77Å; A188-C191 WeakPolarHBondContact O-CB 3.19Å; A188-C191 PolarHBondContact O-N 2.75Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.04Å
189I98.9Very high97.2Very high4 Ų418 Ų182%0.02110%0.104CC..Hα-helixtrans-61.1-42.3172.3-67.8168.2000111.1T108 T111 L112 V115 V128 D185 V186 W187 C191 V192 F193T108-I189 HydrophobicContact CG2-CG2 4.34Å; T111-I189 HydrophobicContact CG2-CD1 4.5Å; T111-I189 HydrophobicContact CG2-CG1 4.19Å; L112-I189 HydrophobicContact CD2-CD1 3.85Å; L112-I189 HydrophobicContact CD2-CG2 4.13Å; L112-I189 HydrophobicContact CG-CD1 4.47Å; L112-I189 HydrophobicContact CG-CG2 4.32Å; V115-I189 HydrophobicContact CB-CD1 4.03Å; V115-I189 HydrophobicContact CG1-CD1 4.16Å; V115-I189 HydrophobicContact CG2-CD1 3.99Å; V128-I189 HydrophobicContact CG1-CG1 4.11Å; D185-I189 VanDerWaalsContact O-CG1 3.29Å; D185-I189 WeakPolarHBondContact O-CG1 3.23Å; D185-I189 PolarHBondContact O-N 3.18Å; V186-I189 PolarHBondContact O-N 2.98Å; W187-I189 VanDerWaalsContact C-N 3.33Å; W187-I189 PolarHBondContact O-N 3.02Å; I189-C191 VanDerWaalsContact C-N 3.32Å; I189-C191 PolarHBondContact O-N 2.81Å; I189-V192 PolarHBondContact O-N 3.11Å; I189-F193 VanDerWaalsContact O-CB 3.27Å; I189-F193 WeakPolarHBondContact O-CB 3.37Å; I189-F193 PolarHBondContact O-N 3.28Å
190G98.9Very high97.7Very high0 Ų015.6 Ų15.60%010%0.098CC..Hα-helixtrans-58.1-43.4174.200000112.6V186 W187 A188 F193 A194 L265V186-G190 PolarHBondContact O-N 3.2Å; W187-G190 WeakPolarHBondContact O-CA 3.43Å; W187-G190 PolarHBondContact O-N 3.05Å; W187-G190 VanDerWaalsContact O-N 3.09Å; A188-G190 VanDerWaalsContact C-N 3.34Å; A188-G190 PolarHBondContact O-N 2.77Å; G190-F193 PolarHBondContact O-N 3.1Å; G190-A194 PolarHBondContact O-N 3.37Å; G190-L265 VanDerWaalsContact O-CD1 3.23Å; G190-L265 WeakPolarHBondContact O-CD1 3.28Å
191C98.9Very high98Very high2 Ų215.8 Ų15.81%0.01410%0.103CC..Hα-helixtrans-64-46.9176.1-62.30000112Y168 W187 A188 I189 F193 A194 E195Y168-C191 HydrophobicContact CD1-CB 3.74Å; Y168-C191 HydrophobicContact CE1-CB 4.49Å; W187-C191 PolarHBondContact NE1-SG 3.46Å; W187-C191 VanDerWaalsContact NE1-SG 3.43Å; W187-C191 PolarHBondContact O-N 3.05Å; W187-C191 PolarHBondContact O-SG 3.44Å; A188-C191 WeakPolarHBondContact O-CB 3.19Å; A188-C191 PolarHBondContact O-N 2.75Å; I189-C191 VanDerWaalsContact C-N 3.32Å; I189-C191 PolarHBondContact O-N 2.81Å; C191-F193 VanDerWaalsContact C-N 3.32Å; C191-F193 PolarHBondContact O-N 2.8Å; C191-A194 PolarHBondContact O-N 2.9Å; C191-E195 PolarHBondContact O-N 3.24Å
192V98.8Very high98.3Very high6 Ų615.9 Ų15.94%0.03610%0.1CC..Hα-helixtrans-61.2-41.6176171.50000111.1P130 I133 Y168 A188 I189 E195 L196P130-V192 HydrophobicContact CG-CG2 4.36Å; I133-V192 HydrophobicContact CD1-CG1 3.88Å; I133-V192 HydrophobicContact CD1-CG2 4.27Å; Y168-V192 HydrophobicContact CD1-CG2 3.95Å; Y168-V192 HydrophobicContact CE1-CG2 4.01Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.04Å; I189-V192 PolarHBondContact O-N 3.11Å; V192-E195 PolarHBondContact O-N 3.17Å; V192-L196 HydrophobicContact CG1-CD1 4.06Å; V192-L196 HydrophobicContact CG1-CG 4.34Å; V192-L196 WeakPolarHBondContact O-CB 3.23Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 3.46Å; V192-L196 PolarHBondContact O-N 3.31Å
193F98.9Very high98.3Very high2 Ų214.1 Ų14.11%0.0099%0.088CC..Hα-helixtrans-63.1-44.8178.2178.2-119.3000111.9V104 T108 I189 G190 C191 E195 L196 L197 A261 L264 L265 Y287V104-F193 HydrophobicContact CG1-CD2 3.74Å; V104-F193 HydrophobicContact CG1-CE2 3.55Å; T108-F193 HydrophobicContact CG2-CB 4.41Å; T108-F193 HydrophobicContact CG2-CD2 3.95Å; T108-F193 HydrophobicContact CG2-CG 4.35Å; T108-F193 WeakPolarHBondContact OG1-CD2 3.47Å; I189-F193 VanDerWaalsContact O-CB 3.27Å; I189-F193 WeakPolarHBondContact O-CB 3.37Å; I189-F193 PolarHBondContact O-N 3.28Å; G190-F193 PolarHBondContact O-N 3.1Å; C191-F193 VanDerWaalsContact C-N 3.32Å; C191-F193 PolarHBondContact O-N 2.8Å; F193-E195 VanDerWaalsContact C-N 3.32Å; F193-E195 PolarHBondContact O-N 3.09Å; F193-L196 PolarHBondContact O-N 3.45Å; F193-L197 HydrophobicContact CD1-CD1 4.12Å; F193-L197 HydrophobicContact CE1-CD1 3.72Å; F193-L197 HydrophobicContact CE2-CD1 4.24Å; F193-L197 HydrophobicContact CE2-CD2 4.39Å; F193-L197 HydrophobicContact CE2-CG 4.31Å; F193-L197 HydrophobicContact CZ-CD1 3.8Å; F193-L197 HydrophobicContact CZ-CD2 4.4Å; F193-L197 HydrophobicContact CZ-CG 4.32Å; F193-L197 VanDerWaalsContact O-CG 3.3Å; F193-L197 WeakPolarHBondContact O-CG 3.49Å; F193-L197 PolarHBondContact O-N 2.98Å; F193-L197 VanDerWaalsContact O-N 3.08Å; F193-A261 WeakPolarHBondContact CE1-O 3.47Å; F193-A261 HydrophobicContact CZ-CB 4.12Å; F193-L264 HydrophobicContact CD1-CD2 4.12Å; F193-L264 HydrophobicContact CD2-CD2 4.44Å; F193-L264 HydrophobicContact CE1-CB 4.22Å; F193-L264 HydrophobicContact CE1-CD2 3.81Å; F193-L264 HydrophobicContact CE1-CG 4.44Å; F193-L264 HydrophobicContact CE2-CD2 4.13Å; F193-L264 HydrophobicContact CG-CD2 4.43Å; F193-L264 HydrophobicContact CZ-CD2 3.81Å; F193-L265 HydrophobicContact CD1-CB 4.2Å; F193-L265 HydrophobicContact CD1-CD1 3.98Å; F193-L265 HydrophobicContact CE1-CB 4.2Å; F193-Y287 AromaticContact CE2-CE1 3.68Å; F193-Y287 HydrophobicContact CE2-CE1 3.68Å; F193-Y287 AromaticContact CE2-CZ 3.68Å; F193-Y287 HydrophobicContact CZ-CD1 4.42Å; F193-Y287 AromaticContact CZ-CE1 3.84Å; F193-Y287 HydrophobicContact CZ-CE1 3.84Å; F193-Y287 HydrophobicContact CZ-CE2 4.14Å; F193-Y287 AromaticContact CZ-CZ 3.68Å
194A98.8Very high98.2Very high0 Ų015.6 Ų15.60%010%0.098CC..Hα-helixtrans-59.7-40.4173.600000113.2G190 C191 L197 S198 L202 F254 L265G190-A194 PolarHBondContact O-N 3.37Å; C191-A194 PolarHBondContact O-N 2.9Å; A194-L197 PolarHBondContact O-N 2.97Å; A194-S198 PolarHBondContact O-N 3.45Å; A194-S198 VanDerWaalsContact O-N 3.13Å; A194-S198 PolarHBondContact O-OG 3.28Å; A194-L202 HydrophobicContact CB-CB 3.93Å; A194-L202 HydrophobicContact CB-CD1 4.09Å; A194-L202 HydrophobicContact CB-CD2 3.77Å; A194-L202 HydrophobicContact CB-CG 4.14Å; A194-F254 HydrophobicContact CB-CE2 4.25Å; A194-F254 HydrophobicContact CB-CZ 3.7Å; A194-L265 HydrophobicContact CB-CD1 3.82Å; A194-L265 HydrophobicContact CB-CD2 4.4Å
195E98.6Very high98.2Very high10 Ų1015.5 Ų15.55%0.04710%0.097CC..Hα-helixtrans-70.1-38.7178.1-179.3165.6-173.600112.2L92 Y168 C191 V192 F193 L197 S198 G199 V200 P201L92-E195 HydrophobicContact CD1-CG 3.72Å; L92-E195 HydrophobicContact CD2-CG 3.86Å; L92-E195 WeakPolarHBondContact CD2-O 3.4Å; L92-E195 HydrophobicContact CG-CG 4.45Å; Y168-E195 VanDerWaalsContact CE1-OE2 3.29Å; Y168-E195 WeakPolarHBondContact CE1-OE2 3.48Å; Y168-E195 PolarHBondContact OH-OE2 3.43Å; C191-E195 PolarHBondContact O-N 3.24Å; V192-E195 PolarHBondContact O-N 3.17Å; F193-E195 VanDerWaalsContact C-N 3.32Å; F193-E195 PolarHBondContact O-N 3.09Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.2Å; E195-S198 PolarHBondContact O-N 3.24Å; E195-G199 VanDerWaalsContact O-CA 3.27Å; E195-G199 WeakPolarHBondContact O-CA 3.1Å; E195-G199 PolarHBondContact O-N 3.09Å; E195-V200 WeakPolarHBondContact CA-O 3.34Å; E195-P201 WeakPolarHBondContact OE1-CG 3.49Å
196L98.7Very high97.9Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-59.4-37.4171.1-76.1171.3000112.4V88 L92 V99 V104 I107 V192 F193V88-L196 HydrophobicContact CG1-CD2 3.67Å; V88-L196 HydrophobicContact CG1-CG 4.39Å; L92-L196 HydrophobicContact CD2-CD2 4.3Å; V99-L196 HydrophobicContact CB-CD2 4.23Å; V99-L196 WeakPolarHBondContact CB-O 3.07Å; V99-L196 HydrophobicContact CG1-CD2 4.46Å; V99-L196 HydrophobicContact CG2-CD2 3.79Å; V99-L196 PolarHBondContact N-O 3.07Å; V104-L196 HydrophobicContact CG1-CB 3.97Å; V104-L196 HydrophobicContact CG1-CD1 4.38Å; V104-L196 HydrophobicContact CG2-CB 4.1Å; I107-L196 HydrophobicContact CB-CD1 4.21Å; I107-L196 HydrophobicContact CD1-CD2 4.06Å; I107-L196 HydrophobicContact CG2-CD1 3.77Å; V192-L196 HydrophobicContact CG1-CD1 4.06Å; V192-L196 HydrophobicContact CG1-CG 4.34Å; V192-L196 WeakPolarHBondContact O-CB 3.23Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 3.46Å; V192-L196 PolarHBondContact O-N 3.31Å; F193-L196 PolarHBondContact O-N 3.45Å
197L98.4Very high97.6Very high42 Ų4226.6 Ų26.622%0.2215%0.152CC..Hα-helixtrans-71.3-38.6179.4-70.2170.5000113G98 V104 F193 A194 E195 F254 I257G98-L197 WeakPolarHBondContact CA-O 3.29Å; V104-L197 HydrophobicContact CG1-CD2 4.13Å; V104-L197 HydrophobicContact CG1-CG 4.46Å; F193-L197 HydrophobicContact CD1-CD1 4.12Å; F193-L197 HydrophobicContact CE1-CD1 3.72Å; F193-L197 HydrophobicContact CE2-CD1 4.24Å; F193-L197 HydrophobicContact CE2-CD2 4.39Å; F193-L197 HydrophobicContact CE2-CG 4.31Å; F193-L197 HydrophobicContact CZ-CD1 3.8Å; F193-L197 HydrophobicContact CZ-CD2 4.4Å; F193-L197 HydrophobicContact CZ-CG 4.32Å; F193-L197 VanDerWaalsContact O-CG 3.3Å; F193-L197 WeakPolarHBondContact O-CG 3.49Å; F193-L197 PolarHBondContact O-N 2.98Å; F193-L197 VanDerWaalsContact O-N 3.08Å; A194-L197 PolarHBondContact O-N 2.97Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.2Å; L197-F254 HydrophobicContact CB-CD1 4.46Å; L197-F254 HydrophobicContact CB-CE1 4.15Å; L197-I257 HydrophobicContact CD1-CG2 4.33Å
198S97.4Very high97.3Very high35 Ų3527.8 Ų27.825%0.24516%0.158CC..Hα-helixtrans-102.3-20.5-17357.50000114.7R97 G98 A194 E195 V200R97-S198 CarbonylContact C-O 3.32Å; G98-S198 PolarHBondContact N-O 3.1Å; A194-S198 PolarHBondContact O-N 3.45Å; A194-S198 VanDerWaalsContact O-N 3.13Å; A194-S198 PolarHBondContact O-OG 3.28Å; E195-S198 PolarHBondContact O-N 3.24Å; S198-V200 VanDerWaalsContact C-N 3.25Å; S198-V200 PolarHBondContact OG-N 3.43Å; S198-V200 PolarHBondContact OG-O 2.75Å; S198-V200 VanDerWaalsContact OG-O 3.04Å
199G96.8Very high97.2Very high13 Ų1328.7 Ų28.713%0.13416%0.164CC..SBendtrans79.70.3-170.300000114.2E195E195-G199 VanDerWaalsContact O-CA 3.27Å; E195-G199 WeakPolarHBondContact O-CA 3.1Å; E195-G199 PolarHBondContact O-N 3.09Å
200V96.1Very high97.1Very high83 Ų8330.9 Ų30.950%0.50318%0.175SC..SBendtrans-131.4147.3-178.4-63.30000111.6E195 S198 L202E195-V200 WeakPolarHBondContact CA-O 3.34Å; S198-V200 VanDerWaalsContact C-N 3.25Å; S198-V200 PolarHBondContact OG-N 3.43Å; S198-V200 PolarHBondContact OG-O 2.75Å; S198-V200 VanDerWaalsContact OG-O 3.04Å; V200-L202 PolarHBondContact O-N 3.39Å
201P97.8Very high97Very high32 Ų3230.9 Ų30.921%0.20818%0.175CC..  trans-58136.2178.9-21.328.9000111.9W167 E195 W203 P204W167-P201 HydrophobicContact CD2-CB 4.31Å; W167-P201 HydrophobicContact CE3-CB 3.69Å; W167-P201 HydrophobicContact CE3-CG 3.6Å; W167-P201 HydrophobicContact CH2-CG 4.22Å; W167-P201 HydrophobicContact CZ3-CB 4.04Å; W167-P201 HydrophobicContact CZ3-CG 3.41Å; W167-P201 VanDerWaalsContact CZ3-CG 3.41Å; E195-P201 WeakPolarHBondContact OE1-CG 3.49Å; P201-W203 PolarHBondContact O-N 3.27Å; P201-P204 HydrophobicContact CB-CB 4.2Å
202L98.4Very high97Very high17 Ų1730.8 Ų30.89%0.08918%0.175CC..SBendtrans-60.9-44.4-177.2179.859.3000112.7A194 V200 L250 K253 F254 L269A194-L202 HydrophobicContact CB-CB 3.93Å; A194-L202 HydrophobicContact CB-CD1 4.09Å; A194-L202 HydrophobicContact CB-CD2 3.77Å; A194-L202 HydrophobicContact CB-CG 4.14Å; V200-L202 PolarHBondContact O-N 3.39Å; L202-L250 HydrophobicContact CD1-CD2 4.34Å; L202-K253 HydrophobicContact CD1-CD 4.09Å; L202-F254 HydrophobicContact CD1-CE2 3.76Å; L202-F254 HydrophobicContact CD1-CZ 4.02Å; L202-L269 HydrophobicContact CD2-CD1 3.63Å
203W98.3Very high97Very high2 Ų233.3 Ų33.31%0.00818%0.184CC..  trans-137.788.3179.6-60-55000110.5W187 P201 G205 Q211 L214 I215 T218 L219 L269W187-W203 AromaticContact CE2-CZ3 3.73Å; W187-W203 AromaticContact CH2-CH2 3.81Å; W187-W203 HydrophobicContact CH2-CH2 3.81Å; W187-W203 AromaticContact CH2-CZ3 3.85Å; W187-W203 HydrophobicContact CH2-CZ3 3.85Å; W187-W203 HydrophobicContact CZ2-CE3 4Å; W187-W203 AromaticContact CZ2-CH2 3.67Å; W187-W203 HydrophobicContact CZ2-CH2 3.67Å; W187-W203 AromaticContact CZ2-CZ3 3.2Å; W187-W203 HydrophobicContact CZ2-CZ3 3.2Å; P201-W203 PolarHBondContact O-N 3.27Å; W203-G205 VanDerWaalsContact C-N 3.28Å; W203-G205 PolarHBondContact O-N 2.92Å; W203-Q211 PolarHBondContact O-NE2 3.26Å; W203-Q211 PolarHBondContact O-OE1 2.88Å; W203-L214 HydrophobicContact CB-CB 4.13Å; W203-L214 HydrophobicContact CB-CD1 4.38Å; W203-L214 HydrophobicContact CG-CB 4.21Å; W203-L214 PolarHBondContact NE1-O 3.06Å; W203-I215 HydrophobicContact CD2-CG1 3.76Å; W203-I215 HydrophobicContact CE3-CG1 3.8Å; W203-I215 HydrophobicContact CG-CG1 4.18Å; W203-I215 HydrophobicContact CZ3-CG1 4.21Å; W203-T218 HydrophobicContact CZ2-CG2 3.96Å; W203-T218 PolarHBondContact NE1-OG1 2.75Å; W203-L219 HydrophobicContact CH2-CD1 3.87Å; W203-L219 HydrophobicContact CH2-CG 4.38Å; W203-L219 HydrophobicContact CZ2-CD1 4.09Å; W203-L219 HydrophobicContact CZ2-CG 4.1Å; W203-L269 HydrophobicContact CH2-CD1 3.83Å; W203-L269 HydrophobicContact CH2-CD2 4.04Å; W203-L269 HydrophobicContact CH2-CG 4.37Å; W203-L269 HydrophobicContact CZ3-CD1 4.37Å; W203-L269 HydrophobicContact CZ3-CD2 4.03Å
204P96.8Very high97Very high66 Ų6635.2 Ų35.243%0.42919%0.194SC..  trans-84.560.7-177.633.5-34.9000112.6W167 P201W167-P204 HydrophobicContact CD2-CB 4.32Å; W167-P204 HydrophobicContact CZ2-CB 4.07Å; P201-P204 HydrophobicContact CB-CB 4.2Å
205G96Very high97Very high2 Ų235.2 Ų35.22%0.02119%0.194CC..  trans-65.9142.2-177.300000113.8R166 W167 W203 D210R166-G205 WeakPolarHBondContact CD-O 3.17Å; W167-G205 PolarHBondContact NE1-O 2.9Å; W203-G205 VanDerWaalsContact C-N 3.28Å; W203-G205 PolarHBondContact O-N 2.92Å; G205-D210 WeakPolarHBondContact CA-OD2 3.37Å
206K92.8Very high96.9Very high184 Ų18435.9 Ų35.980%0.820%0.196SC*.SBendtrans-85.4-26.7-179.3-62.3176.4-176.2173.40113R166 D210R166-K206 PolarHBondContact NH1-O 3.18Å; K206-D210 PolarHBondContact N-OD2 3.27Å
207S92.8Very high96.9Very high53 Ų5338.7 Ų38.737%0.37121%0.208SC..SBendtrans-139.7171.417570.60000109.7R166 V209 D210 Q211R166-S207 VanDerWaalsContact CD-C 3.47Å; R166-S207 WeakPolarHBondContact CD-O 3.34Å; S207-V209 PolarHBondContact O-N 2.92Å; S207-D210 PolarHBondContact O-N 2.92Å; S207-D210 WeakPolarHBondContact OG-CB 3.29Å; S207-D210 PolarHBondContact OG-N 2.96Å; S207-D210 VanDerWaalsContact OG-N 3.12Å; S207-Q211 WeakPolarHBondContact O-CB 3.24Å; S207-Q211 PolarHBondContact O-N 3.38Å
208D93.4Very high96.9Very high25 Ų2537 Ų3713%0.13420%0.199CC..Hα-helixtrans-66.3-31.6179-62.2-12.6000111.4R166 L174 L212 F236R166-D208 IonicContact CZ-OD1 3.71Å; R166-D208 IonicContact NE-OD1 3.1Å; R166-D208 PolarHBondContact NE-OD1 3.49Å; L174-D208 HydrophobicContact CD2-CB 4.23Å; D208-L212 VanDerWaalsContact O-CG 3.29Å; D208-L212 WeakPolarHBondContact O-CG 3.43Å; D208-L212 PolarHBondContact O-N 2.85Å; D208-F236 HydrophobicContact CB-CE1 4.27Å; D208-F236 HydrophobicContact CB-CZ 4.25Å
209V95.9Very high97Very high25 Ų2537.6 Ų37.615%0.15220%0.2CC..Hα-helixtrans-70.4-43.5174.8178.90000111.6S207 Q211 L212 Y213 F230 F236 V239S207-V209 PolarHBondContact O-N 2.92Å; V209-Q211 VanDerWaalsContact C-N 3.32Å; V209-L212 PolarHBondContact O-N 3.08Å; V209-Y213 PolarHBondContact O-N 3.23Å; V209-F230 HydrophobicContact CG2-CZ 4.44Å; V209-F236 HydrophobicContact CG2-CD1 4.06Å; V209-F236 HydrophobicContact CG2-CE1 4.03Å; V209-V239 HydrophobicContact CG1-CG1 4.21Å; V209-V239 HydrophobicContact CG2-CG1 3.72Å
210D96.7Very high97Very high49 Ų4937.8 Ų37.826%0.26220%0.202SC..Hα-helixtrans-64.6-39.3175.1-174.647.1000111G205 K206 S207 L212 Y213 L214G205-D210 WeakPolarHBondContact CA-OD2 3.37Å; K206-D210 PolarHBondContact N-OD2 3.27Å; S207-D210 PolarHBondContact O-N 2.92Å; S207-D210 WeakPolarHBondContact OG-CB 3.29Å; S207-D210 PolarHBondContact OG-N 2.96Å; S207-D210 VanDerWaalsContact OG-N 3.12Å; D210-L212 PolarHBondContact O-N 3.48Å; D210-Y213 WeakPolarHBondContact O-CB 3.37Å; D210-Y213 PolarHBondContact O-N 3.29Å; D210-L214 WeakPolarHBondContact O-CG 3.11Å; D210-L214 PolarHBondContact O-N 3.25Å
211Q97.9Very high97.1Very high0 Ų038.7 Ų38.70%020%0.204CC..Hα-helixtrans-59.6-48173.7-169.969.43600111.5W167 L174 W203 S207 V209 Y213 L214 I215W167-Q211 PolarHBondContact O-NE2 3.39Å; L174-Q211 HydrophobicContact CD1-CB 4.17Å; L174-Q211 HydrophobicContact CD1-CG 3.5Å; L174-Q211 HydrophobicContact CD2-CB 4.15Å; L174-Q211 HydrophobicContact CD2-CG 3.9Å; L174-Q211 HydrophobicContact CG-CG 4.37Å; W203-Q211 PolarHBondContact O-NE2 3.26Å; W203-Q211 PolarHBondContact O-OE1 2.88Å; S207-Q211 WeakPolarHBondContact O-CB 3.24Å; S207-Q211 PolarHBondContact O-N 3.38Å; V209-Q211 VanDerWaalsContact C-N 3.32Å; Q211-Y213 VanDerWaalsContact C-N 3.32Å; Q211-Y213 PolarHBondContact O-N 2.98Å; Q211-L214 PolarHBondContact O-N 2.9Å; Q211-I215 HydrophobicContact CG-CD1 4.17Å; Q211-I215 WeakPolarHBondContact O-CD1 3.28Å; Q211-I215 VanDerWaalsContact O-CG1 3.27Å; Q211-I215 WeakPolarHBondContact O-CG1 3.32Å; Q211-I215 PolarHBondContact O-N 2.93Å; Q211-I215 VanDerWaalsContact O-N 3.09Å
212L98.1Very high97.1Very high0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-62.8-38.1176.4-73.3167.6000112.1L174 V175 D208 V209 D210 I215 R216 L222 F230 I241L174-L212 HydrophobicContact CB-CD1 4.24Å; L174-L212 HydrophobicContact CB-CD2 3.73Å; L174-L212 HydrophobicContact CB-CG 3.91Å; L174-L212 HydrophobicContact CD1-CD2 3.97Å; L174-L212 HydrophobicContact CD1-CG 4.22Å; V175-L212 HydrophobicContact CG1-CD1 4.04Å; V175-L212 HydrophobicContact CG1-CD2 4.13Å; D208-L212 VanDerWaalsContact O-CG 3.29Å; D208-L212 WeakPolarHBondContact O-CG 3.43Å; D208-L212 PolarHBondContact O-N 2.85Å; V209-L212 PolarHBondContact O-N 3.08Å; D210-L212 PolarHBondContact O-N 3.48Å; L212-I215 PolarHBondContact O-N 2.94Å; L212-R216 WeakPolarHBondContact O-CB 3.4Å; L212-R216 WeakPolarHBondContact O-CG 3.37Å; L212-R216 PolarHBondContact O-N 3.37Å; L212-L222 HydrophobicContact CD2-CD1 4.25Å; L212-L222 HydrophobicContact CD2-CD2 4.04Å; L212-F230 HydrophobicContact CD1-CD2 3.96Å; L212-F230 HydrophobicContact CD1-CE2 3.91Å; L212-I241 HydrophobicContact CB-CD1 4.06Å; L212-I241 HydrophobicContact CB-CG1 4.43Å; L212-I241 HydrophobicContact CB-CG2 4.2Å; L212-I241 HydrophobicContact CD1-CD1 3.79Å; L212-I241 HydrophobicContact CD1-CG1 4.36Å; L212-I241 HydrophobicContact CG-CD1 4.46Å
213Y98.3Very high97.1Very high60 Ų6038 Ų3824%0.23520%0.199CC..Hα-helixtrans-60.8-48.7174.6170.6-98.8000112.1V209 D210 Q211 I215 R216 K217 P242 P244V209-Y213 PolarHBondContact O-N 3.23Å; D210-Y213 WeakPolarHBondContact O-CB 3.37Å; D210-Y213 PolarHBondContact O-N 3.29Å; Q211-Y213 VanDerWaalsContact C-N 3.32Å; Q211-Y213 PolarHBondContact O-N 2.98Å; Y213-I215 VanDerWaalsContact C-N 3.31Å; Y213-I215 PolarHBondContact O-N 3.5Å; Y213-R216 PolarHBondContact O-N 3.25Å; Y213-K217 HydrophobicContact CE1-CD 4.47Å; Y213-K217 WeakPolarHBondContact O-CB 3.47Å; Y213-K217 PolarHBondContact O-N 3.05Å; Y213-P242 HydrophobicContact CD2-CB 3.86Å; Y213-P242 HydrophobicContact CD2-CG 4.4Å; Y213-P242 WeakPolarHBondContact CD2-O 3.41Å; Y213-P242 HydrophobicContact CE2-CB 4.12Å; Y213-P244 HydrophobicContact CE2-CB 4.04Å
214L98.5Very high97Very high42 Ų4242.9 Ų42.922%0.2223%0.23CC..Hα-helixtrans-61.2-40.5178.8-68.3174.3000112.3W203 D210 Q211 T218W203-L214 HydrophobicContact CB-CB 4.13Å; W203-L214 HydrophobicContact CB-CD1 4.38Å; W203-L214 HydrophobicContact CG-CB 4.21Å; W203-L214 PolarHBondContact NE1-O 3.06Å; D210-L214 WeakPolarHBondContact O-CG 3.11Å; D210-L214 PolarHBondContact O-N 3.25Å; Q211-L214 PolarHBondContact O-N 2.9Å; L214-T218 PolarHBondContact O-N 2.88Å; L214-T218 PolarHBondContact O-OG1 3.47Å
215I98.6Very high97Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-63.1-48.6174.5-65.9165.1000110P171 L174 W187 W203 Q211 L212 Y213 K217 T218 L219 M271P171-I215 HydrophobicContact CG-CG2 4.38Å; L174-I215 HydrophobicContact CD1-CD1 3.56Å; W187-I215 HydrophobicContact CH2-CD1 4.48Å; W187-I215 HydrophobicContact CH2-CG2 3.68Å; W187-I215 HydrophobicContact CZ2-CD1 3.75Å; W187-I215 HydrophobicContact CZ2-CG1 4Å; W187-I215 HydrophobicContact CZ2-CG2 3.99Å; W203-I215 HydrophobicContact CD2-CG1 3.76Å; W203-I215 HydrophobicContact CE3-CG1 3.8Å; W203-I215 HydrophobicContact CG-CG1 4.18Å; W203-I215 HydrophobicContact CZ3-CG1 4.21Å; Q211-I215 HydrophobicContact CG-CD1 4.17Å; Q211-I215 WeakPolarHBondContact O-CD1 3.28Å; Q211-I215 VanDerWaalsContact O-CG1 3.27Å; Q211-I215 WeakPolarHBondContact O-CG1 3.32Å; Q211-I215 PolarHBondContact O-N 2.93Å; Q211-I215 VanDerWaalsContact O-N 3.09Å; L212-I215 PolarHBondContact O-N 2.94Å; Y213-I215 VanDerWaalsContact C-N 3.31Å; Y213-I215 PolarHBondContact O-N 3.5Å; I215-K217 VanDerWaalsContact C-N 3.33Å; I215-K217 PolarHBondContact O-N 3.22Å; I215-T218 PolarHBondContact O-N 3.27Å; I215-L219 HydrophobicContact CG2-CD1 4.04Å; I215-L219 PolarHBondContact O-N 3.42Å; I215-M271 HydrophobicContact CG2-CE 3.66Å; I215-M271 HydrophobicContact CG2-SD 3.81Å
216R98.3Very high97.1Very high24 Ų2444.4 Ų44.49%0.09123%0.227CC..Hα-helixtrans-59.3-42.9179-78.7-177.171.2-1597112.5L212 Y213 T218 L219 G220 D221 L222 I241 P242 D243 M271L212-R216 WeakPolarHBondContact O-CB 3.4Å; L212-R216 WeakPolarHBondContact O-CG 3.37Å; L212-R216 PolarHBondContact O-N 3.37Å; Y213-R216 PolarHBondContact O-N 3.25Å; R216-T218 PolarHBondContact O-N 3.09Å; R216-T218 VanDerWaalsContact O-N 3.13Å; R216-L219 PolarHBondContact O-N 3.37Å; R216-G220 WeakPolarHBondContact CA-O 3.45Å; R216-G220 WeakPolarHBondContact O-CA 3.47Å; R216-G220 PolarHBondContact O-N 2.92Å; R216-D221 IonicContact CZ-OD1 3.89Å; R216-D221 IonicContact NE-OD1 3.93Å; R216-D221 PolarHBondContact NE-OD1 3.44Å; R216-D221 IonicContact NH2-OD1 3.97Å; R216-D221 PolarHBondContact NH2-OD1 3.11Å; R216-L222 HydrophobicContact CG-CG 4.39Å; R216-I241 PolarHBondContact NH1-O 3.09Å; R216-P242 PolarHBondContact NH1-O 3.42Å; R216-D243 IonicContact CZ-OD1 2.9Å; R216-D243 VanDerWaalsContact CZ-OD1 3.3Å; R216-D243 IonicContact NH1-OD1 2.69Å; R216-D243 PolarHBondContact NH1-OD1 3.09Å; R216-D243 IonicContact NH2-OD1 3.39Å; R216-D243 PolarHBondContact NH2-OD1 2.83Å; R216-M271 HydrophobicContact CG-CE 4.24Å
217K98.3Very high97.3Very high58 Ų5839.9 Ų39.925%0.25221%0.209SC..Hα-helixtrans-57.1-28.1176-166.8179.3-178.8-174.20112.6Y213 I215 P244 D246 M247 E248Y213-K217 HydrophobicContact CE1-CD 4.47Å; Y213-K217 WeakPolarHBondContact O-CB 3.47Å; Y213-K217 PolarHBondContact O-N 3.05Å; I215-K217 VanDerWaalsContact C-N 3.33Å; I215-K217 PolarHBondContact O-N 3.22Å; K217-P244 HydrophobicContact CB-CB 4.03Å; K217-P244 HydrophobicContact CG-CB 3.99Å; K217-D246 WeakPolarHBondContact CE-O 3.3Å; K217-D246 WeakPolarHBondContact CG-O 3.09Å; K217-M247 WeakPolarHBondContact O-CA 3.41Å; K217-M247 WeakPolarHBondContact O-CE 3.28Å; K217-E248 HydrophobicContact CG-CB 4.43Å; K217-E248 PolarHBondContact O-N 3.49Å
218T98.6Very high97.5Very high6 Ų643.7 Ų43.74%0.03722%0.221CC..Hα-helixtrans-95.4-42.8-177.4-500000112.9W203 L214 I215 R216 E248 L250 K253W203-T218 HydrophobicContact CZ2-CG2 3.96Å; W203-T218 PolarHBondContact NE1-OG1 2.75Å; L214-T218 PolarHBondContact O-N 2.88Å; L214-T218 PolarHBondContact O-OG1 3.47Å; I215-T218 PolarHBondContact O-N 3.27Å; R216-T218 PolarHBondContact O-N 3.09Å; R216-T218 VanDerWaalsContact O-N 3.13Å; T218-E248 WeakPolarHBondContact CA-O 3.18Å; T218-E248 WeakPolarHBondContact CG2-O 3.34Å; T218-L250 HydrophobicContact CG2-CD2 3.76Å; T218-L250 HydrophobicContact CG2-CG 4.06Å; T218-K253 HydrophobicContact CG2-CD 4.15Å; T218-K253 WeakPolarHBondContact OG1-CE 3.46Å
219L98.4Very high97.6Very high48 Ų4843.6 Ų43.625%0.25122%0.221SC..Hα-helixtrans-113-7.1-168-57.4-179000114.5W187 W203 I215 R216 L250 L269 M271W187-L219 HydrophobicContact CH2-CD1 3.53Å; W187-L219 HydrophobicContact CZ3-CD1 3.85Å; W203-L219 HydrophobicContact CH2-CD1 3.87Å; W203-L219 HydrophobicContact CH2-CG 4.38Å; W203-L219 HydrophobicContact CZ2-CD1 4.09Å; W203-L219 HydrophobicContact CZ2-CG 4.1Å; I215-L219 HydrophobicContact CG2-CD1 4.04Å; I215-L219 PolarHBondContact O-N 3.42Å; R216-L219 PolarHBondContact O-N 3.37Å; L219-L250 HydrophobicContact CD2-CD1 4.19Å; L219-L250 HydrophobicContact CD2-CG 4.28Å; L219-L269 HydrophobicContact CD1-CB 4.38Å; L219-L269 VanDerWaalsContact CD1-O 3.3Å; L219-L269 WeakPolarHBondContact CD1-O 3.45Å; L219-M271 HydrophobicContact CB-CE 4.18Å; L219-M271 HydrophobicContact CB-CG 4.04Å; L219-M271 HydrophobicContact CB-SD 4.41Å; L219-M271 HydrophobicContact CD1-CG 4.45Å; L219-M271 HydrophobicContact CD1-SD 4.38Å
220G97.3Very high97.6Very high18 Ų1843 Ų4319%0.18622%0.217CC..  trans93.8-161.4-177.400000112.4R216 M247 M271R216-G220 WeakPolarHBondContact CA-O 3.45Å; R216-G220 WeakPolarHBondContact O-CA 3.47Å; R216-G220 PolarHBondContact O-N 2.92Å; G220-M247 VanDerWaalsContact N-CE 3.35Å; G220-M271 WeakPolarHBondContact O-CE 3.34Å
221D97.1Very high97.5Very high101 Ų10145.4 Ų45.454%0.5424%0.237SC..SBendtrans-69.2150.5-172.3-72.3-32.9000113.9R216R216-D221 IonicContact CZ-OD1 3.89Å; R216-D221 IonicContact NE-OD1 3.93Å; R216-D221 PolarHBondContact NE-OD1 3.44Å; R216-D221 IonicContact NH2-OD1 3.97Å; R216-D221 PolarHBondContact NH2-OD1 3.11Å
222L97.9Very high97.3Very high6 Ų650.4 Ų50.43%0.03127%0.268CS..PPolyproline II helixtrans-59.4144.4166.8-69.6176.9000109.6P171 V175 L212 R216 H226 Q227 I241 M271P171-L222 HydrophobicContact CB-CD2 3.83Å; V175-L222 HydrophobicContact CG1-CD1 4.07Å; L212-L222 HydrophobicContact CD2-CD1 4.25Å; L212-L222 HydrophobicContact CD2-CD2 4.04Å; R216-L222 HydrophobicContact CG-CG 4.39Å; L222-H226 HydrophobicContact CB-CB 4.19Å; L222-H226 HydrophobicContact CD2-CB 4.45Å; L222-Q227 HydrophobicContact CB-CG 3.81Å; L222-Q227 PolarHBondContact O-NE2 3.05Å; L222-I241 HydrophobicContact CD1-CD1 3.6Å; L222-M271 HydrophobicContact CD2-CE 4.01Å; L222-M271 HydrophobicContact CD2-SD 4.18Å
223I98.3Very high97Very high30 Ų3052.3 Ų52.315%0.15428%0.278CS..PPolyproline II helixtrans-60.9153.8173.466.1171.9000111.2R225 H226 Q227 M271 D272I223-R225 HydrophobicContact CD1-CB 4.22Å; I223-R225 HydrophobicContact CG1-CB 4.37Å; I223-R225 PolarHBondContact O-N 3.32Å; I223-R225 VanDerWaalsContact O-N 3.09Å; I223-H226 HydrophobicContact CG1-CB 4.01Å; I223-H226 PolarHBondContact O-N 2.97Å; I223-Q227 PolarHBondContact O-N 3.42Å; I223-Q227 VanDerWaalsContact O-N 3.08Å; I223-M271 HydrophobicContact CG2-CB 4.19Å; I223-D272 HydrophobicContact CG2-CB 4.06Å
224P98.1Very high96.6Very high104 Ų10457.6 Ų57.668%0.67531%0.305SS*.Hα-helixtrans-52.1-38.7-176.1-3035.9000114.1Q227 Q228P224-Q227 PolarHBondContact O-N 2.8Å; P224-Q228 PolarHBondContact O-N 3.25Å
225R97Very high96.1Very high96 Ų9663.3 Ų63.336%0.36233%0.325SS..Hα-helixtrans-59.1-50.2175.8-179.1-177.5172.483.113.5111.9D177 Q179 I223 Q227 Q228 V229D177-R225 IonicContact OD1-CZ 3.9Å; D177-R225 IonicContact OD1-NH2 2.9Å; D177-R225 PolarHBondContact OD1-NH2 3.18Å; D177-R225 IonicContact OD2-CZ 3.31Å; D177-R225 VanDerWaalsContact OD2-CZ 3.31Å; D177-R225 IonicContact OD2-NE 2.73Å; D177-R225 PolarHBondContact OD2-NE 3.38Å; D177-R225 IonicContact OD2-NH2 3.05Å; D177-R225 PolarHBondContact OD2-NH2 2.89Å; Q179-R225 VanDerWaalsContact NE2-NH2 3.2Å; I223-R225 HydrophobicContact CD1-CB 4.22Å; I223-R225 HydrophobicContact CG1-CB 4.37Å; I223-R225 PolarHBondContact O-N 3.32Å; I223-R225 VanDerWaalsContact O-N 3.09Å; R225-Q227 VanDerWaalsContact C-N 3.32Å; R225-Q227 PolarHBondContact O-N 3.44Å; R225-Q228 WeakPolarHBondContact O-CB 3.35Å; R225-Q228 PolarHBondContact O-N 3.45Å; R225-V229 HydrophobicContact CG-CG2 4.48Å; R225-V229 WeakPolarHBondContact O-CG2 3.39Å; R225-V229 PolarHBondContact O-N 2.99Å
226H97.8Very high95.7Very high3 Ų363.9 Ų63.91%0.01433%0.327CS..Hα-helixtrans-67.1-34.8-178.5-65.8166.6000111.8E172 V175 L222 I223 V229 F230E172-H226 WeakPolarHBondContact CB-NE2 3.43Å; E172-H226 IonicContact OE2-CE1 3.3Å; V175-H226 HydrophobicContact CG1-CB 4.27Å; V175-H226 HydrophobicContact CG2-CB 4.17Å; L222-H226 HydrophobicContact CB-CB 4.19Å; L222-H226 HydrophobicContact CD2-CB 4.45Å; I223-H226 HydrophobicContact CG1-CB 4.01Å; I223-H226 PolarHBondContact O-N 2.97Å; H226-V229 PolarHBondContact O-N 3.28Å; H226-F230 VanDerWaalsContact O-CB 3.31Å; H226-F230 WeakPolarHBondContact O-CB 3.46Å; H226-F230 PolarHBondContact O-N 3.42Å
227Q97.1Very high95.3Very high89 Ų8967.4 Ų67.442%0.41636%0.355SS..Hα-helixtrans-61.7-44.2172.4-63.21802.700111.8L222 I223 P224 R225 S231L222-Q227 HydrophobicContact CB-CG 3.81Å; L222-Q227 PolarHBondContact O-NE2 3.05Å; I223-Q227 PolarHBondContact O-N 3.42Å; I223-Q227 VanDerWaalsContact O-N 3.08Å; P224-Q227 PolarHBondContact O-N 2.8Å; R225-Q227 VanDerWaalsContact C-N 3.32Å; R225-Q227 PolarHBondContact O-N 3.44Å; Q227-S231 WeakPolarHBondContact O-CB 3.5Å; Q227-S231 PolarHBondContact O-N 3.47Å; Q227-S231 PolarHBondContact O-OG 3.12Å
228Q96.6Very high94.9Very high134 Ų13468.9 Ų68.963%0.62639%0.387SS*.Hα-helixtrans-63.3-48.6176.4-176.3-175.23.800111.4P224 R225 F230 S231 T232P224-Q228 PolarHBondContact O-N 3.25Å; R225-Q228 WeakPolarHBondContact O-CB 3.35Å; R225-Q228 PolarHBondContact O-N 3.45Å; Q228-F230 PolarHBondContact O-N 2.9Å; Q228-S231 PolarHBondContact O-N 3.19Å; Q228-T232 WeakPolarHBondContact O-CG2 3.46Å; Q228-T232 PolarHBondContact O-N 2.92Å; Q228-T232 PolarHBondContact O-OG1 3.48Å
229V95.4Very high94.6Very high23 Ų2371.9 Ų71.914%0.13941%0.405CS..Hα-helixtrans-57.8-50178.4172.10000110.3V175 D177 R225 H226 S231 T232 N233V175-V229 HydrophobicContact CB-CG1 4.26Å; V175-V229 HydrophobicContact CG2-CB 4.13Å; V175-V229 HydrophobicContact CG2-CG1 3.83Å; D177-V229 HydrophobicContact CB-CG1 4.12Å; D177-V229 HydrophobicContact CB-CG2 4.38Å; R225-V229 HydrophobicContact CG-CG2 4.48Å; R225-V229 WeakPolarHBondContact O-CG2 3.39Å; R225-V229 PolarHBondContact O-N 2.99Å; H226-V229 PolarHBondContact O-N 3.28Å; V229-S231 VanDerWaalsContact C-N 3.33Å; V229-S231 PolarHBondContact O-N 2.75Å; V229-T232 PolarHBondContact O-N 3.34Å; V229-T232 PolarHBondContact O-OG1 3.28Å; V229-T232 VanDerWaalsContact O-OG1 3.12Å; V229-N233 WeakPolarHBondContact O-CB 3.27Å; V229-N233 PolarHBondContact O-N 3.36Å
230F95.3Very high94.4Very high13 Ų1376.6 Ų76.66%0.05742%0.423CS..Hα-helixtrans-55.3-47.2177.6-177.2-90.8000112.1V175 V209 L212 H226 Q228 T232 N233 F236 I241V175-F230 HydrophobicContact CB-CB 4.09Å; V175-F230 HydrophobicContact CB-CD2 4.48Å; V175-F230 HydrophobicContact CG1-CB 3.98Å; V175-F230 HydrophobicContact CG1-CD2 4.16Å; V209-F230 HydrophobicContact CG2-CZ 4.44Å; L212-F230 HydrophobicContact CD1-CD2 3.96Å; L212-F230 HydrophobicContact CD1-CE2 3.91Å; H226-F230 VanDerWaalsContact O-CB 3.31Å; H226-F230 WeakPolarHBondContact O-CB 3.46Å; H226-F230 PolarHBondContact O-N 3.42Å; Q228-F230 PolarHBondContact O-N 2.9Å; F230-T232 VanDerWaalsContact C-N 3.31Å; F230-T232 PolarHBondContact O-N 2.98Å; F230-N233 PolarHBondContact O-N 2.78Å; F230-F236 HydrophobicContact CD2-CB 4.34Å; F230-F236 HydrophobicContact CD2-CD1 4.33Å; F230-F236 AromaticContact CD2-CD2 3.56Å; F230-F236 HydrophobicContact CD2-CD2 3.56Å; F230-F236 AromaticContact CD2-CE2 3.87Å; F230-F236 HydrophobicContact CD2-CE2 3.87Å; F230-F236 AromaticContact CD2-CG 3.83Å; F230-F236 HydrophobicContact CD2-CG 3.83Å; F230-F236 HydrophobicContact CD2-CZ 4.37Å; F230-F236 HydrophobicContact CE1-CB 4.14Å; F230-F236 HydrophobicContact CE2-CB 3.89Å; F230-F236 AromaticContact CE2-CD1 3.5Å; F230-F236 HydrophobicContact CE2-CD1 3.5Å; F230-F236 AromaticContact CE2-CD2 3.6Å; F230-F236 HydrophobicContact CE2-CD2 3.6Å; F230-F236 AromaticContact CE2-CE1 3.84Å; F230-F236 HydrophobicContact CE2-CE1 3.84Å; F230-F236 AromaticContact CE2-CE2 3.95Å; F230-F236 HydrophobicContact CE2-CE2 3.95Å; F230-F236 AromaticContact CE2-CG 3.37Å; F230-F236 HydrophobicContact CE2-CG 3.37Å; F230-F236 HydrophobicContact CE2-CZ 4.06Å; F230-F236 HydrophobicContact CG-CD2 4.33Å; F230-F236 HydrophobicContact CZ-CB 3.76Å; F230-F236 AromaticContact CZ-CD1 3.89Å; F230-F236 HydrophobicContact CZ-CD1 3.89Å; F230-F236 HydrophobicContact CZ-CD2 4.36Å; F230-F236 AromaticContact CZ-CG 3.76Å; F230-F236 HydrophobicContact CZ-CG 3.76Å; F230-I241 HydrophobicContact CD1-CD1 4.19Å; F230-I241 HydrophobicContact CD1-CG1 4.35Å; F230-I241 HydrophobicContact CD2-CD1 3.99Å; F230-I241 HydrophobicContact CD2-CG1 4.38Å; F230-I241 HydrophobicContact CE1-CD1 4.16Å; F230-I241 HydrophobicContact CE1-CG1 3.81Å; F230-I241 HydrophobicContact CE2-CD1 3.93Å; F230-I241 HydrophobicContact CE2-CG1 3.82Å; F230-I241 HydrophobicContact CG-CD1 4.12Å; F230-I241 HydrophobicContact CZ-CD1 4.03Å; F230-I241 HydrophobicContact CZ-CG1 3.52Å
231S94.2Very high94.2Very high98 Ų9876.4 Ų76.469%0.68542%0.418SS*.Hα-helixtrans-68.5-28.4-176.5-55.20000113.5Q227 Q228 V229Q227-S231 WeakPolarHBondContact O-CB 3.5Å; Q227-S231 PolarHBondContact O-N 3.47Å; Q227-S231 PolarHBondContact O-OG 3.12Å; Q228-S231 PolarHBondContact O-N 3.19Å; V229-S231 VanDerWaalsContact C-N 3.33Å; V229-S231 PolarHBondContact O-N 2.75Å
232T94.3Very high94.1Very high106 Ų10674.8 Ų74.865%0.6541%0.413SS*.Hα-helixtrans-91.6-12.9179.459.40000113.5Q228 V229 F230 Q234Q228-T232 WeakPolarHBondContact O-CG2 3.46Å; Q228-T232 PolarHBondContact O-N 2.92Å; Q228-T232 PolarHBondContact O-OG1 3.48Å; V229-T232 PolarHBondContact O-N 3.34Å; V229-T232 PolarHBondContact O-OG1 3.28Å; V229-T232 VanDerWaalsContact O-OG1 3.12Å; F230-T232 VanDerWaalsContact C-N 3.31Å; F230-T232 PolarHBondContact O-N 2.98Å; T232-Q234 PolarHBondContact O-N 2.88Å
233N91.4Very high93.9Very high39 Ų3978.8 Ų78.821%0.20943%0.434CS..  trans-76.6118.2-178.5-174.2-17.2000110.4V175 V229 F230 Y235 F236V175-N233 PolarHBondContact O-ND2 2.97Å; V229-N233 WeakPolarHBondContact O-CB 3.27Å; V229-N233 PolarHBondContact O-N 3.36Å; F230-N233 PolarHBondContact O-N 2.78Å; N233-Y235 PolarHBondContact O-N 3.18Å; N233-Y235 VanDerWaalsContact O-N 3.13Å; N233-Y235 VanDerWaalsContact OD1-CB 3.32Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.29Å; N233-Y235 PolarHBondContact OD1-N 3.4Å; N233-F236 HydrophobicContact CB-CD2 3.99Å; N233-F236 PolarHBondContact O-N 3.47Å
234Q90.3Very high93.6Very high172 Ų17278.7 Ų78.780%0.80444%0.436SS*.G310 helixtrans-58.1-28.7-178.5-172178.6-200112.9T232 F236 S237T232-Q234 PolarHBondContact O-N 2.88Å; Q234-F236 PolarHBondContact O-N 3.25Å; Q234-S237 WeakPolarHBondContact O-CB 3.46Å; Q234-S237 PolarHBondContact O-N 2.89Å
235Y88Confident93.3Very high162 Ų16282.5 Ų82.564%0.63545%0.445SS*.G310 helixtrans-60.8-30.7176.6-178.1-99.9000112.8N233N233-Y235 PolarHBondContact O-N 3.18Å; N233-Y235 VanDerWaalsContact O-N 3.13Å; N233-Y235 VanDerWaalsContact OD1-CB 3.32Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.29Å; N233-Y235 PolarHBondContact OD1-N 3.4Å
236F90.7Very high93.3Very high12 Ų1283.7 Ų83.75%0.05346%0.458CS..G310 helixtrans-101.414.7179.7-60.4-63.5000113.2L174 D208 V209 F230 N233 Q234 G238 V239L174-F236 VanDerWaalsContact O-CZ 3.31Å; L174-F236 WeakPolarHBondContact O-CZ 3.46Å; D208-F236 HydrophobicContact CB-CE1 4.27Å; D208-F236 HydrophobicContact CB-CZ 4.25Å; V209-F236 HydrophobicContact CG2-CD1 4.06Å; V209-F236 HydrophobicContact CG2-CE1 4.03Å; F230-F236 HydrophobicContact CD2-CB 4.34Å; F230-F236 HydrophobicContact CD2-CD1 4.33Å; F230-F236 AromaticContact CD2-CD2 3.56Å; F230-F236 HydrophobicContact CD2-CD2 3.56Å; F230-F236 AromaticContact CD2-CE2 3.87Å; F230-F236 HydrophobicContact CD2-CE2 3.87Å; F230-F236 AromaticContact CD2-CG 3.83Å; F230-F236 HydrophobicContact CD2-CG 3.83Å; F230-F236 HydrophobicContact CD2-CZ 4.37Å; F230-F236 HydrophobicContact CE1-CB 4.14Å; F230-F236 HydrophobicContact CE2-CB 3.89Å; F230-F236 AromaticContact CE2-CD1 3.5Å; F230-F236 HydrophobicContact CE2-CD1 3.5Å; F230-F236 AromaticContact CE2-CD2 3.6Å; F230-F236 HydrophobicContact CE2-CD2 3.6Å; F230-F236 AromaticContact CE2-CE1 3.84Å; F230-F236 HydrophobicContact CE2-CE1 3.84Å; F230-F236 AromaticContact CE2-CE2 3.95Å; F230-F236 HydrophobicContact CE2-CE2 3.95Å; F230-F236 AromaticContact CE2-CG 3.37Å; F230-F236 HydrophobicContact CE2-CG 3.37Å; F230-F236 HydrophobicContact CE2-CZ 4.06Å; F230-F236 HydrophobicContact CG-CD2 4.33Å; F230-F236 HydrophobicContact CZ-CB 3.76Å; F230-F236 AromaticContact CZ-CD1 3.89Å; F230-F236 HydrophobicContact CZ-CD1 3.89Å; F230-F236 HydrophobicContact CZ-CD2 4.36Å; F230-F236 AromaticContact CZ-CG 3.76Å; F230-F236 HydrophobicContact CZ-CG 3.76Å; N233-F236 HydrophobicContact CB-CD2 3.99Å; N233-F236 PolarHBondContact O-N 3.47Å; Q234-F236 PolarHBondContact O-N 3.25Å; F236-G238 PolarHBondContact O-N 3.46Å; F236-V239 WeakPolarHBondContact O-CB 3.47Å; F236-V239 PolarHBondContact O-N 3.5Å
237S89.9Confident93.3Very high98 Ų9888.2 Ų88.269%0.68548%0.481SS*.THydrogen-bonded Turntrans-58126-179.6-168.10000111.4Q234 V239Q234-S237 WeakPolarHBondContact O-CB 3.46Å; Q234-S237 PolarHBondContact O-N 2.89Å; S237-V239 VanDerWaalsContact C-N 3.26Å; S237-V239 PolarHBondContact O-N 2.99Å
238G89.7Confident93.3Very high88 Ų8886.9 Ų86.991%0.90747%0.474SS*.THydrogen-bonded Turntrans77.35.6-177.500000114.9F236F236-G238 PolarHBondContact O-N 3.46Å
239V92.9Very high93.4Very high70 Ų7082.9 Ų82.942%0.42446%0.46SS..  trans-108.4136.6178.5-171.20000110.2V209 F236 S237V209-V239 HydrophobicContact CG1-CG1 4.21Å; V209-V239 HydrophobicContact CG2-CG1 3.72Å; F236-V239 WeakPolarHBondContact O-CB 3.47Å; F236-V239 PolarHBondContact O-N 3.5Å; S237-V239 VanDerWaalsContact C-N 3.26Å; S237-V239 PolarHBondContact O-N 2.99Å
240K92.8Very high93.5Very high147 Ų14782 Ų8264%0.63945%0.454SS*.  trans-116.8140172.3-171.2-173.2168.9-165.60109.1P242 D243K240-P242 WeakPolarHBondContact O-CD 2.98Å; K240-D243 IonicContact NZ-OD2 2.74Å; K240-D243 PolarHBondContact NZ-OD2 2.87Å
241I93.8Very high93.6Very high13 Ų1385.2 Ų85.27%0.06747%0.47CS..PPolyproline II helixtrans-72.9121.5167.8-50.9165.7000107.2L212 R216 L222 F230L212-I241 HydrophobicContact CB-CD1 4.06Å; L212-I241 HydrophobicContact CB-CG1 4.43Å; L212-I241 HydrophobicContact CB-CG2 4.2Å; L212-I241 HydrophobicContact CD1-CD1 3.79Å; L212-I241 HydrophobicContact CD1-CG1 4.36Å; L212-I241 HydrophobicContact CG-CD1 4.46Å; R216-I241 PolarHBondContact NH1-O 3.09Å; L222-I241 HydrophobicContact CD1-CD1 3.6Å; F230-I241 HydrophobicContact CD1-CD1 4.19Å; F230-I241 HydrophobicContact CD1-CG1 4.35Å; F230-I241 HydrophobicContact CD2-CD1 3.99Å; F230-I241 HydrophobicContact CD2-CG1 4.38Å; F230-I241 HydrophobicContact CE1-CD1 4.16Å; F230-I241 HydrophobicContact CE1-CG1 3.81Å; F230-I241 HydrophobicContact CE2-CD1 3.93Å; F230-I241 HydrophobicContact CE2-CG1 3.82Å; F230-I241 HydrophobicContact CG-CD1 4.12Å; F230-I241 HydrophobicContact CZ-CD1 4.03Å; F230-I241 HydrophobicContact CZ-CG1 3.52Å
242P94.3Very high93.8Very high68 Ų6886 Ų8644%0.44247%0.465SS..PPolyproline II helixtrans-58.2148.3178.3-23.133.7000111.7Y213 R216 K240Y213-P242 HydrophobicContact CD2-CB 3.86Å; Y213-P242 HydrophobicContact CD2-CG 4.4Å; Y213-P242 WeakPolarHBondContact CD2-O 3.41Å; Y213-P242 HydrophobicContact CE2-CB 4.12Å; R216-P242 PolarHBondContact NH1-O 3.42Å; K240-P242 WeakPolarHBondContact O-CD 2.98Å
243D93.4Very high93.9Very high89 Ų8983.7 Ų83.748%0.47645%0.446SS..PPolyproline II helixtrans-85.4126.6173.8-62.3-48.8000108.3R216 K240R216-D243 IonicContact CZ-OD1 2.9Å; R216-D243 VanDerWaalsContact CZ-OD1 3.3Å; R216-D243 IonicContact NH1-OD1 2.69Å; R216-D243 PolarHBondContact NH1-OD1 3.09Å; R216-D243 IonicContact NH2-OD1 3.39Å; R216-D243 PolarHBondContact NH2-OD1 2.83Å; K240-D243 IonicContact NZ-OD2 2.74Å; K240-D243 PolarHBondContact NZ-OD2 2.87Å
244P93.9Very high94.2Very high29 Ų2982.7 Ų82.719%0.18844%0.44CS..PPolyproline II helixtrans-69.4133.717927.8-32.3000110.6Y213 K217 M247Y213-P244 HydrophobicContact CE2-CB 4.04Å; K217-P244 HydrophobicContact CB-CB 4.03Å; K217-P244 HydrophobicContact CG-CB 3.99Å; P244-M247 HydrophobicContact CG-SD 4.39Å
245E91.4Very high94.4Very high184 Ų18479.2 Ų79.286%0.8643%0.432SS*.SBendtrans-68.2-45.3176.1-65.2178.5-176.800111.2
246D95.7Very high94.7Very high121 Ų12179.1 Ų79.165%0.64744%0.443SS*.SBendtrans-124.4141.5178.6-63.8-57.5000111.3K217K217-D246 WeakPolarHBondContact CE-O 3.3Å; K217-D246 WeakPolarHBondContact CG-O 3.09Å
247M97.6Very high94.9Very high98 Ų9880.5 Ų80.548%0.48345%0.451SS..  trans-82.5140.7172.8-70.6-63.4-67.400111.3K217 G220 P244K217-M247 WeakPolarHBondContact O-CA 3.41Å; K217-M247 WeakPolarHBondContact O-CE 3.28Å; G220-M247 VanDerWaalsContact N-CE 3.35Å; P244-M247 HydrophobicContact CG-SD 4.39Å
248E97.8Very high95.3Very high61 Ų6178.6 Ų78.629%0.28544%0.437SS..  trans-12877.2176.4-166-164.5163.800109.6K217 T218 L252 K253K217-E248 HydrophobicContact CG-CB 4.43Å; K217-E248 PolarHBondContact O-N 3.49Å; T218-E248 WeakPolarHBondContact CA-O 3.18Å; T218-E248 WeakPolarHBondContact CG2-O 3.34Å; E248-L252 HydrophobicContact CG-CD2 3.98Å; E248-L252 HydrophobicContact CG-CG 4.41Å; E248-K253 HydrophobicContact CG-CG 4.09Å; E248-K253 WeakPolarHBondContact OE1-CG 3.15Å; E248-K253 IonicContact OE1-NZ 2.83Å; E248-K253 PolarHBondContact OE1-NZ 3.28Å; E248-K253 IonicContact OE2-NZ 3.07Å; E248-K253 PolarHBondContact OE2-NZ 3.05Å
249P98.1Very high95.6Very high49 Ų4984 Ų8432%0.31843%0.431SS..  trans-66.9167-173.129.6-36.4000112.4E251 L252 K253P249-E251 PolarHBondContact O-N 2.98Å; P249-L252 HydrophobicContact CG-CB 4.15Å; P249-L252 WeakPolarHBondContact O-CB 3.46Å; P249-L252 PolarHBondContact O-N 3.01Å; P249-K253 PolarHBondContact O-N 3.13Å; P249-K253 VanDerWaalsContact O-N 3.09Å
250L98.2Very high95.9Very high5 Ų582.8 Ų82.83%0.02643%0.425CS..Hα-helixtrans-56.6-36.5-178.5-67.3174.5000112.6L202 T218 L219 L252 K253 F254 L262 L265 K266 L269L202-L250 HydrophobicContact CD1-CD2 4.34Å; T218-L250 HydrophobicContact CG2-CD2 3.76Å; T218-L250 HydrophobicContact CG2-CG 4.06Å; L219-L250 HydrophobicContact CD2-CD1 4.19Å; L219-L250 HydrophobicContact CD2-CG 4.28Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.35Å; L250-K253 PolarHBondContact O-N 3.4Å; L250-F254 HydrophobicContact CD2-CE2 4.34Å; L250-F254 WeakPolarHBondContact O-CB 3.36Å; L250-F254 WeakPolarHBondContact O-CD2 3.5Å; L250-F254 PolarHBondContact O-N 3.04Å; L250-L262 HydrophobicContact CB-CD1 4.07Å; L250-L265 HydrophobicContact CD1-CD2 4.15Å; L250-L265 HydrophobicContact CD1-CG 4.09Å; L250-L265 HydrophobicContact CD2-CD2 4Å; L250-L265 HydrophobicContact CG-CD2 4.48Å; L250-K266 HydrophobicContact CD1-CG 3.98Å; L250-L269 HydrophobicContact CD1-CD1 4.34Å; L250-L269 HydrophobicContact CD2-CD1 4.36Å
251E97.6Very high96.1Very high81 Ų8175.9 Ų75.938%0.37940%0.396SS..Hα-helixtrans-60.4-37175.9-67.588.2158.500112.6P249 F254 L262 K266P249-E251 PolarHBondContact O-N 2.98Å; E251-F254 CarbonylContact O-C 3.25Å; E251-L262 HydrophobicContact CG-CD1 4.44Å; E251-L262 HydrophobicContact CG-CD2 3.79Å; E251-K266 WeakPolarHBondContact OE1-CE 3.29Å; E251-K266 IonicContact OE1-NZ 2.76Å; E251-K266 PolarHBondContact OE1-NZ 2.83Å
252L97.4Very high96.3Very high114 Ų11476.5 Ų76.560%0.59740%0.399SS*.Hα-helixtrans-76-36.3178.3-172.460.9000111.1E248 P249 L250 F254E248-L252 HydrophobicContact CG-CD2 3.98Å; E248-L252 HydrophobicContact CG-CG 4.41Å; P249-L252 HydrophobicContact CG-CB 4.15Å; P249-L252 WeakPolarHBondContact O-CB 3.46Å; P249-L252 PolarHBondContact O-N 3.01Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.35Å; L252-F254 VanDerWaalsContact C-N 3.32Å
253K97Very high96.5Very high58 Ų5874.4 Ų74.425%0.25239%0.39SS..Hα-helixtrans-68.4-30.9174.6-70.9-173.9175.7-64.50112.9L202 T218 E248 P249 L250L202-K253 HydrophobicContact CD1-CD 4.09Å; T218-K253 HydrophobicContact CG2-CD 4.15Å; T218-K253 WeakPolarHBondContact OG1-CE 3.46Å; E248-K253 HydrophobicContact CG-CG 4.09Å; E248-K253 WeakPolarHBondContact OE1-CG 3.15Å; E248-K253 IonicContact OE1-NZ 2.83Å; E248-K253 PolarHBondContact OE1-NZ 3.28Å; E248-K253 IonicContact OE2-NZ 3.07Å; E248-K253 PolarHBondContact OE2-NZ 3.05Å; P249-K253 PolarHBondContact O-N 3.13Å; P249-K253 VanDerWaalsContact O-N 3.09Å; L250-K253 PolarHBondContact O-N 3.4Å
254F97Very high96.8Very high18 Ų1870.2 Ų70.28%0.07937%0.367CS..  trans-128.667.2-174.4-62.6-82.1000111.6A194 L197 L202 L250 E251 L252 N256 I257 L265A194-F254 HydrophobicContact CB-CE2 4.25Å; A194-F254 HydrophobicContact CB-CZ 3.7Å; L197-F254 HydrophobicContact CB-CD1 4.46Å; L197-F254 HydrophobicContact CB-CE1 4.15Å; L202-F254 HydrophobicContact CD1-CE2 3.76Å; L202-F254 HydrophobicContact CD1-CZ 4.02Å; L250-F254 HydrophobicContact CD2-CE2 4.34Å; L250-F254 WeakPolarHBondContact O-CB 3.36Å; L250-F254 WeakPolarHBondContact O-CD2 3.5Å; L250-F254 PolarHBondContact O-N 3.04Å; E251-F254 CarbonylContact O-C 3.25Å; L252-F254 VanDerWaalsContact C-N 3.32Å; F254-N256 PolarHBondContact O-N 3.04Å; F254-I257 HydrophobicContact CB-CB 4.32Å; F254-I257 HydrophobicContact CB-CD1 3.56Å; F254-I257 HydrophobicContact CB-CG1 3.75Å; F254-I257 HydrophobicContact CB-CG2 3.73Å; F254-I257 HydrophobicContact CD1-CG2 4.01Å; F254-I257 HydrophobicContact CG-CD1 4.15Å; F254-I257 HydrophobicContact CG-CG2 4.26Å; F254-I257 WeakPolarHBondContact O-CG1 3.42Å; F254-L265 HydrophobicContact CD2-CD2 4.03Å; F254-L265 HydrophobicContact CE2-CD2 3.96Å
255P95.3Very high97Very high98 Ų9868.9 Ų68.964%0.63636%0.358SS*.THydrogen-bonded Turntrans-67.9-21.8-173.626.9-35.5000114
256N93.6Very high97.4Very high161 Ų16163.9 Ų63.986%0.86133%0.334SS*.THydrogen-bonded Turntrans-11010.6-172.9-64.5-36.5000113.9F254F254-N256 PolarHBondContact O-N 3.04Å
257I96Very high97.5Very high41 Ų4158.4 Ų58.421%0.2131%0.306CS..SBendtrans-82.8151.4178.669.3172.7000111.1L197 F254 A261 L262L197-I257 HydrophobicContact CD1-CG2 4.33Å; F254-I257 HydrophobicContact CB-CB 4.32Å; F254-I257 HydrophobicContact CB-CD1 3.56Å; F254-I257 HydrophobicContact CB-CG1 3.75Å; F254-I257 HydrophobicContact CB-CG2 3.73Å; F254-I257 HydrophobicContact CD1-CG2 4.01Å; F254-I257 HydrophobicContact CG-CD1 4.15Å; F254-I257 HydrophobicContact CG-CG2 4.26Å; F254-I257 WeakPolarHBondContact O-CG1 3.42Å; I257-A261 HydrophobicContact CB-CB 4.36Å; I257-L262 HydrophobicContact CD1-CB 3.71Å; I257-L262 HydrophobicContact CD1-CD1 3.97Å; I257-L262 HydrophobicContact CD1-CG 4.42Å; I257-L262 HydrophobicContact CG1-CB 4.15Å
258S97Very high97.6Very high57 Ų5753.9 Ų53.940%0.39928%0.284SS..  trans-69.8152.2177.566.10000111.7A261 L262S258-A261 WeakPolarHBondContact O-CB 3.24Å; S258-A261 PolarHBondContact O-N 3.13Å; S258-A261 WeakPolarHBondContact OG-CB 3.35Å; S258-A261 PolarHBondContact OG-N 2.9Å; S258-L262 PolarHBondContact O-N 2.73Å
259Y97.5Very high97.6Very high201 Ų20151.3 Ų51.379%0.78827%0.272SS*.Hα-helixtrans-53.8-43.1177.4178.6-96.1000113.4A261 L262 G263Y259-A261 VanDerWaalsContact C-N 3.33Å; Y259-A261 PolarHBondContact O-N 3.39Å; Y259-L262 PolarHBondContact O-N 2.91Å; Y259-G263 PolarHBondContact O-N 2.7Å
260P97.9Very high97.6Very high45 Ų4552 Ų5229%0.29227%0.271SS..Hα-helixtrans-64.7-33174.5-22.134.7000113.6L264 H285 Y287P260-L264 PolarHBondContact O-N 3.21Å; P260-H285 PolarHBondContact O-CE1 2.71Å; P260-Y287 HydrophobicContact CB-CD2 4.27Å
261A98.1Very high97.7Very high3 Ų352.7 Ų52.73%0.02527%0.274CS..Hα-helixtrans-68.2-45.3176.100000111F193 I257 S258 Y259 G263 L264 L265 Y287F193-A261 WeakPolarHBondContact CE1-O 3.47Å; F193-A261 HydrophobicContact CZ-CB 4.12Å; I257-A261 HydrophobicContact CB-CB 4.36Å; S258-A261 WeakPolarHBondContact O-CB 3.24Å; S258-A261 PolarHBondContact O-N 3.13Å; S258-A261 WeakPolarHBondContact OG-CB 3.35Å; S258-A261 PolarHBondContact OG-N 2.9Å; Y259-A261 VanDerWaalsContact C-N 3.33Å; Y259-A261 PolarHBondContact O-N 3.39Å; A261-G263 VanDerWaalsContact C-N 3.31Å; A261-G263 PolarHBondContact O-N 2.58Å; A261-L264 PolarHBondContact O-N 3.15Å; A261-L265 PolarHBondContact O-N 3.08Å; A261-Y287 HydrophobicContact CB-CD2 3.87Å; A261-Y287 HydrophobicContact CB-CE2 3.64Å
262L98.6Very high97.7Very high25 Ų2550.7 Ų50.713%0.13127%0.266CS..Hα-helixtrans-60.7-41.9175.3-17964.4000111.5L250 E251 I257 S258 Y259 L264 L265 K266L250-L262 HydrophobicContact CB-CD1 4.07Å; E251-L262 HydrophobicContact CG-CD1 4.44Å; E251-L262 HydrophobicContact CG-CD2 3.79Å; I257-L262 HydrophobicContact CD1-CB 3.71Å; I257-L262 HydrophobicContact CD1-CD1 3.97Å; I257-L262 HydrophobicContact CD1-CG 4.42Å; I257-L262 HydrophobicContact CG1-CB 4.15Å; S258-L262 PolarHBondContact O-N 2.73Å; Y259-L262 PolarHBondContact O-N 2.91Å; L262-L264 PolarHBondContact O-N 2.95Å; L262-L265 PolarHBondContact O-N 3.05Å; L262-K266 HydrophobicContact CD1-CD 4.44Å; L262-K266 HydrophobicContact CD1-CG 4.37Å; L262-K266 HydrophobicContact CG-CD 4.3Å; L262-K266 WeakPolarHBondContact O-CB 3.44Å; L262-K266 WeakPolarHBondContact O-CG 3.41Å; L262-K266 PolarHBondContact O-N 3.43Å
263G98.6Very high97.7Very high24 Ų2446.6 Ų46.625%0.24725%0.247CC..Hα-helixtrans-59.5-43.8175.500000112.7Y259 A261 G267Y259-G263 PolarHBondContact O-N 2.7Å; A261-G263 VanDerWaalsContact C-N 3.31Å; A261-G263 PolarHBondContact O-N 2.58Å; G263-G267 PolarHBondContact O-N 3.14Å
264L98.7Very high97.8Very high2 Ų249.5 Ų49.51%0.0127%0.269CS..Hα-helixtrans-62.5-45.9175.9-169.279.9000110.9T108 F193 P260 A261 L262 G267 C268 L282 H285 Y287 F288T108-L264 HydrophobicContact CG2-CD2 4.27Å; F193-L264 HydrophobicContact CD1-CD2 4.12Å; F193-L264 HydrophobicContact CD2-CD2 4.44Å; F193-L264 HydrophobicContact CE1-CB 4.22Å; F193-L264 HydrophobicContact CE1-CD2 3.81Å; F193-L264 HydrophobicContact CE1-CG 4.44Å; F193-L264 HydrophobicContact CE2-CD2 4.13Å; F193-L264 HydrophobicContact CG-CD2 4.43Å; F193-L264 HydrophobicContact CZ-CD2 3.81Å; P260-L264 PolarHBondContact O-N 3.21Å; A261-L264 PolarHBondContact O-N 3.15Å; L262-L264 PolarHBondContact O-N 2.95Å; L264-G267 PolarHBondContact O-N 3.12Å; L264-C268 PolarHBondContact O-N 2.97Å; L264-C268 VanDerWaalsContact O-N 3.15Å; L264-C268 PolarHBondContact O-SG 2.96Å; L264-C268 VanDerWaalsContact O-SG 3.38Å; L264-L282 HydrophobicContact CD1-CB 4.31Å; L264-L282 HydrophobicContact CD1-CD2 3.55Å; L264-L282 HydrophobicContact CG-CD2 4.26Å; L264-H285 HydrophobicContact CD1-CB 3.61Å; L264-H285 PolarHBondContact N-CE1 3.11Å; L264-H285 VanDerWaalsContact N-CE1 3.25Å; L264-Y287 HydrophobicContact CD2-CD1 3.68Å; L264-Y287 HydrophobicContact CD2-CE1 4.18Å; L264-Y287 HydrophobicContact CD2-CG 4.22Å; L264-F288 HydrophobicContact CD1-CD2 4.43Å; L264-F288 HydrophobicContact CD1-CE2 3.76Å; L264-F288 HydrophobicContact CD2-CE2 3.88Å; L264-F288 HydrophobicContact CD2-CZ 3.84Å
265L98.5Very high97.8Very high0 Ų054.2 Ų54.20%029%0.291CS..Hα-helixtrans-61.8-47.1-178.6-17361.9000111.6G190 F193 A194 L250 F254 A261 L262 G267 C268 L269G190-L265 VanDerWaalsContact O-CD1 3.23Å; G190-L265 WeakPolarHBondContact O-CD1 3.28Å; F193-L265 HydrophobicContact CD1-CB 4.2Å; F193-L265 HydrophobicContact CD1-CD1 3.98Å; F193-L265 HydrophobicContact CE1-CB 4.2Å; A194-L265 HydrophobicContact CB-CD1 3.82Å; A194-L265 HydrophobicContact CB-CD2 4.4Å; L250-L265 HydrophobicContact CD1-CD2 4.15Å; L250-L265 HydrophobicContact CD1-CG 4.09Å; L250-L265 HydrophobicContact CD2-CD2 4Å; L250-L265 HydrophobicContact CG-CD2 4.48Å; F254-L265 HydrophobicContact CD2-CD2 4.03Å; F254-L265 HydrophobicContact CE2-CD2 3.96Å; A261-L265 PolarHBondContact O-N 3.08Å; L262-L265 PolarHBondContact O-N 3.05Å; L265-G267 VanDerWaalsContact C-N 3.35Å; L265-C268 PolarHBondContact O-N 3.2Å; L265-L269 HydrophobicContact CD1-CD1 3.52Å; L265-L269 HydrophobicContact CD1-CG 4.29Å; L265-L269 HydrophobicContact CG-CD1 3.88Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.24Å; L265-L269 VanDerWaalsContact O-N 3.08Å
266K98.6Very high98Very high80 Ų8050.1 Ų50.135%0.34826%0.263SS..Hα-helixtrans-62.9-40.1174.1-73.9-178.4171.8-169.30112.2L250 E251 L262 C268 L269 H270L250-K266 HydrophobicContact CD1-CG 3.98Å; E251-K266 WeakPolarHBondContact OE1-CE 3.29Å; E251-K266 IonicContact OE1-NZ 2.76Å; E251-K266 PolarHBondContact OE1-NZ 2.83Å; L262-K266 HydrophobicContact CD1-CD 4.44Å; L262-K266 HydrophobicContact CD1-CG 4.37Å; L262-K266 HydrophobicContact CG-CD 4.3Å; L262-K266 WeakPolarHBondContact O-CB 3.44Å; L262-K266 WeakPolarHBondContact O-CG 3.41Å; L262-K266 PolarHBondContact O-N 3.43Å; K266-C268 PolarHBondContact O-N 3.5Å; K266-L269 PolarHBondContact O-N 2.99Å; K266-L269 VanDerWaalsContact O-N 3.14Å; K266-H270 PolarHBondContact O-CE1 2.91Å; K266-H270 PolarHBondContact O-ND1 3.47Å
267G98.8Very high98.3Very high6 Ų644.9 Ų44.96%0.06224%0.235CC..Hα-helixtrans-56.3-33175.400000113.4G263 L264 L265 R276 L277G263-G267 PolarHBondContact O-N 3.14Å; L264-G267 PolarHBondContact O-N 3.12Å; L265-G267 VanDerWaalsContact C-N 3.35Å; G267-R276 WeakPolarHBondContact O-CA 3.48Å; G267-L277 PolarHBondContact O-N 3.44Å
268C98.8Very high98.4Very high3 Ų346.2 Ų46.22%0.0225%0.245CC..Hα-helixtrans-82.5-34.9175.5-61.90000114V186 L264 L265 K266 R276V186-C268 HydrophobicContact CG1-CB 4.03Å; L264-C268 PolarHBondContact O-N 2.97Å; L264-C268 VanDerWaalsContact O-N 3.15Å; L264-C268 PolarHBondContact O-SG 2.96Å; L264-C268 VanDerWaalsContact O-SG 3.38Å; L265-C268 PolarHBondContact O-N 3.2Å; K266-C268 PolarHBondContact O-N 3.5Å; C268-R276 VanDerWaalsContact O-CD 3.24Å; C268-R276 WeakPolarHBondContact O-CD 3.41Å; C268-R276 WeakPolarHBondContact O-CG 3.46Å
269L98.8Very high98.5Very high6 Ų643.5 Ų43.53%0.03123%0.226CC..  trans-106.545.6-163.9-61.3179.3000113.4W187 L202 W203 L219 L250 L265 K266W187-L269 HydrophobicContact CD2-CD2 3.81Å; W187-L269 HydrophobicContact CE3-CD2 3.83Å; W187-L269 HydrophobicContact CG-CD2 4.29Å; W187-L269 HydrophobicContact CZ2-CD2 4.48Å; W187-L269 HydrophobicContact CZ3-CB 4.4Å; W187-L269 HydrophobicContact CZ3-CD2 4.2Å; L202-L269 HydrophobicContact CD2-CD1 3.63Å; W203-L269 HydrophobicContact CH2-CD1 3.83Å; W203-L269 HydrophobicContact CH2-CD2 4.04Å; W203-L269 HydrophobicContact CH2-CG 4.37Å; W203-L269 HydrophobicContact CZ3-CD1 4.37Å; W203-L269 HydrophobicContact CZ3-CD2 4.03Å; L219-L269 HydrophobicContact CD1-CB 4.38Å; L219-L269 VanDerWaalsContact CD1-O 3.3Å; L219-L269 WeakPolarHBondContact CD1-O 3.45Å; L250-L269 HydrophobicContact CD1-CD1 4.34Å; L250-L269 HydrophobicContact CD2-CD1 4.36Å; L265-L269 HydrophobicContact CD1-CD1 3.52Å; L265-L269 HydrophobicContact CD1-CG 4.29Å; L265-L269 HydrophobicContact CG-CD1 3.88Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.24Å; L265-L269 VanDerWaalsContact O-N 3.08Å; K266-L269 PolarHBondContact O-N 2.99Å; K266-L269 VanDerWaalsContact O-N 3.14Å
270H98.8Very high98.5Very high65 Ų6538.1 Ų38.130%0.30121%0.208SC..  trans-78.8140166.5-71.684.6000110.8K266 D272 E275 R276K266-H270 PolarHBondContact O-CE1 2.91Å; K266-H270 PolarHBondContact O-ND1 3.47Å; H270-D272 VanDerWaalsContact C-N 3.34Å; H270-E275 HydrophobicContact CB-CB 3.83Å; H270-E275 IonicContact CD2-OE2 3.7Å; H270-E275 PolarHBondContact CD2-OE2 3.2Å; H270-R276 HydrophobicContact CB-CG 3.91Å; H270-R276 PolarHBondContact O-NE 3.19Å; H270-R276 PolarHBondContact O-NH2 3.17Å
271M98.4Very high98.5Very high19 Ų1940.8 Ų40.89%0.09422%0.217CC..SBendtrans-61.9-43174.3-81.1-64.3-143.700111.2P171 I215 R216 L219 G220 L222 I223P171-M271 HydrophobicContact CB-SD 4.46Å; P171-M271 HydrophobicContact CG-SD 3.81Å; I215-M271 HydrophobicContact CG2-CE 3.66Å; I215-M271 HydrophobicContact CG2-SD 3.81Å; R216-M271 HydrophobicContact CG-CE 4.24Å; L219-M271 HydrophobicContact CB-CE 4.18Å; L219-M271 HydrophobicContact CB-CG 4.04Å; L219-M271 HydrophobicContact CB-SD 4.41Å; L219-M271 HydrophobicContact CD1-CG 4.45Å; L219-M271 HydrophobicContact CD1-SD 4.38Å; G220-M271 WeakPolarHBondContact O-CE 3.34Å; L222-M271 HydrophobicContact CD2-CE 4.01Å; L222-M271 HydrophobicContact CD2-SD 4.18Å; I223-M271 HydrophobicContact CG2-CB 4.19Å
272D98.4Very high98.6Very high39 Ų3940.7 Ų40.721%0.20922%0.216CC..SBendtrans-76.6120171.3-164.3-47000110I223 H270 T274 E275I223-D272 HydrophobicContact CG2-CB 4.06Å; H270-D272 VanDerWaalsContact C-N 3.34Å; D272-T274 VanDerWaalsContact CG-OG1 3.31Å; D272-T274 PolarHBondContact O-N 3.05Å; D272-T274 WeakPolarHBondContact OD1-CB 3.21Å; D272-T274 WeakPolarHBondContact OD1-CG2 3Å; D272-T274 PolarHBondContact OD1-N 3.18Å; D272-T274 PolarHBondContact OD1-OG1 3.38Å; D272-E275 HydrophobicContact CB-CB 4.34Å; D272-E275 HydrophobicContact CB-CG 3.95Å; D272-E275 PolarHBondContact O-N 3.29Å
273P98.2Very high98.5Very high28 Ų2840.2 Ų40.218%0.18221%0.214CC..THydrogen-bonded Turntrans-63.4-21.3179.126.3-34.5000113.6P183P183-P273 HydrophobicContact CB-CB 3.89Å; P183-P273 VanDerWaalsContact CB-O 3.31Å; P183-P273 WeakPolarHBondContact CB-O 3.31Å; P183-P273 HydrophobicContact CG-CB 4.4Å; P183-P273 WeakPolarHBondContact CG-O 3.32Å
274T97.8Very high98.5Very high119 Ų11945.1 Ų45.173%0.7323%0.23SC*.THydrogen-bonded Turntrans-78.2-20.717968.40000113.2D272D272-T274 VanDerWaalsContact CG-OG1 3.31Å; D272-T274 PolarHBondContact O-N 3.05Å; D272-T274 WeakPolarHBondContact OD1-CB 3.21Å; D272-T274 WeakPolarHBondContact OD1-CG2 3Å; D272-T274 PolarHBondContact OD1-N 3.18Å; D272-T274 PolarHBondContact OD1-OG1 3.38Å
275E98.4Very high98.5Very high116 Ų11646.5 Ų46.554%0.54224%0.236SC..THydrogen-bonded Turntrans-87-13.2176.8-65.6179179.100112.6H270 D272 L277H270-E275 HydrophobicContact CB-CB 3.83Å; H270-E275 IonicContact CD2-OE2 3.7Å; H270-E275 PolarHBondContact CD2-OE2 3.2Å; D272-E275 HydrophobicContact CB-CB 4.34Å; D272-E275 HydrophobicContact CB-CG 3.95Å; D272-E275 PolarHBondContact O-N 3.29Å; E275-L277 PolarHBondContact O-N 2.97Å
276R98.8Very high98.4Very high12 Ų1250.1 Ų50.15%0.04526%0.26CS..SBendtrans-67.8134.5176.8-61.8-179.5-163.3144.114110.2E172 P183 V186 G267 C268 H270E172-R276 IonicContact OE1-CZ 2.81Å; E172-R276 IonicContact OE1-NH1 2.91Å; E172-R276 PolarHBondContact OE1-NH1 3Å; E172-R276 IonicContact OE1-NH2 2.85Å; E172-R276 PolarHBondContact OE1-NH2 3.39Å; E172-R276 IonicContact OE2-CZ 2.96Å; E172-R276 IonicContact OE2-NH1 3.92Å; E172-R276 IonicContact OE2-NH2 2.8Å; E172-R276 PolarHBondContact OE2-NH2 3.26Å; P183-R276 HydrophobicContact CB-CB 4.47Å; P183-R276 PolarHBondContact O-NH1 2.94Å; V186-R276 HydrophobicContact CG1-CB 4.14Å; G267-R276 WeakPolarHBondContact O-CA 3.48Å; C268-R276 VanDerWaalsContact O-CD 3.24Å; C268-R276 WeakPolarHBondContact O-CD 3.41Å; C268-R276 WeakPolarHBondContact O-CG 3.46Å; H270-R276 HydrophobicContact CB-CG 3.91Å; H270-R276 PolarHBondContact O-NE 3.19Å; H270-R276 PolarHBondContact O-NH2 3.17Å
277L98.8Very high98.4Very high51 Ų5146.8 Ų46.827%0.26725%0.245SC..PPolyproline II helixtrans-62.4142.2172.8-63.6-179.9000110.3V186 G267 E275 Q281 L282V186-L277 WeakPolarHBondContact CG1-O 3.48Å; G267-L277 PolarHBondContact O-N 3.44Å; E275-L277 PolarHBondContact O-N 2.97Å; L277-Q281 HydrophobicContact CB-CB 4.14Å; L277-Q281 HydrophobicContact CD2-CB 4.35Å; L277-L282 HydrophobicContact CB-CD1 4.44Å; L277-L282 HydrophobicContact CB-CD2 3.89Å; L277-L282 HydrophobicContact CB-CG 3.81Å; L277-L282 HydrophobicContact CD1-CD2 3.85Å; L277-L282 HydrophobicContact CG-CD2 4.48Å
278T98.8Very high98.3Very high69 Ų6946.6 Ų46.642%0.42324%0.242SC..PPolyproline II helixtrans-70.4160.1172.670.10000110.9E280 Q281 L282T278-E280 PolarHBondContact O-N 3.49Å; T278-Q281 PolarHBondContact O-N 2.9Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.36Å; T278-Q281 PolarHBondContact OG1-N 3.34Å; T278-Q281 PolarHBondContact OG1-OE1 3.46Å; T278-L282 WeakPolarHBondContact O-CG 3.41Å; T278-L282 PolarHBondContact O-N 2.87Å
279C98.7Very high98Very high1 Ų151.2 Ų51.21%0.00726%0.264CS..Hα-helixtrans-56.6-35.1174.4-62.30000112.1L112 V115 N116 L282 L283L112-C279 HydrophobicContact CD2-CB 4.11Å; V115-C279 VanDerWaalsContact CG1-SG 3.58Å; N116-C279 HydrophobicContact CB-CB 3.64Å; C279-L282 PolarHBondContact O-N 3.3Å; C279-L283 VanDerWaalsContact O-CG 3.28Å; C279-L283 WeakPolarHBondContact O-CG 3.33Å; C279-L283 PolarHBondContact O-N 3.46Å
280E98.2Very high97.4Very high87 Ų8755.6 Ų55.641%0.40729%0.287SS..Hα-helixtrans-65.2-42.4175.3-176.2158.7-124.800112.3K120 T278 L283 H284K120-E280 IonicContact NZ-OE1 3.01Å; K120-E280 PolarHBondContact NZ-OE1 3Å; K120-E280 IonicContact NZ-OE2 2.7Å; T278-E280 PolarHBondContact O-N 3.49Å; E280-L283 PolarHBondContact O-N 3.36Å; E280-H284 PolarHBondContact O-N 2.88Å; E280-H284 PolarHBondContact O-ND1 3.36Å
281Q98.6Very high96.9Very high102 Ų10254 Ų5448%0.47728%0.281SS..Hα-helixtrans-66-40.7174.3-72.1168.6-41.500111.7L277 T278 L283 H284 H285L277-Q281 HydrophobicContact CB-CB 4.14Å; L277-Q281 HydrophobicContact CD2-CB 4.35Å; T278-Q281 PolarHBondContact O-N 2.9Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.36Å; T278-Q281 PolarHBondContact OG1-N 3.34Å; T278-Q281 PolarHBondContact OG1-OE1 3.46Å; Q281-L283 VanDerWaalsContact C-N 3.34Å; Q281-L283 PolarHBondContact O-N 3.41Å; Q281-H284 CarbonylContact O-C 3.58Å; Q281-H284 WeakPolarHBondContact O-CA 3.42Å; Q281-H284 PolarHBondContact O-N 3.4Å; Q281-H285 PolarHBondContact O-N 3.21Å
282L98.7Very high96.3Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-64.6-35.8178.2-69.8165.6000112.5L112 V186 L264 L277 T278 C279 H284 H285 F288L112-L282 HydrophobicContact CD1-CB 3.94Å; L112-L282 HydrophobicContact CD2-CB 3.77Å; L112-L282 HydrophobicContact CD2-CD1 3.75Å; L112-L282 HydrophobicContact CD2-CG 4.42Å; V186-L282 HydrophobicContact CG1-CD1 3.87Å; L264-L282 HydrophobicContact CD1-CB 4.31Å; L264-L282 HydrophobicContact CD1-CD2 3.55Å; L264-L282 HydrophobicContact CG-CD2 4.26Å; L277-L282 HydrophobicContact CB-CD1 4.44Å; L277-L282 HydrophobicContact CB-CD2 3.89Å; L277-L282 HydrophobicContact CB-CG 3.81Å; L277-L282 HydrophobicContact CD1-CD2 3.85Å; L277-L282 HydrophobicContact CG-CD2 4.48Å; T278-L282 WeakPolarHBondContact O-CG 3.41Å; T278-L282 PolarHBondContact O-N 2.87Å; C279-L282 PolarHBondContact O-N 3.3Å; L282-H284 PolarHBondContact O-N 2.8Å; L282-H285 WeakPolarHBondContact O-CB 3.27Å; L282-H285 PolarHBondContact O-N 3.21Å; L282-F288 WeakPolarHBondContact O-CD2 2.91Å; L282-F288 WeakPolarHBondContact O-CE2 3.33Å
283L98Very high95.6Very high16 Ų1659.1 Ų59.18%0.08430%0.301CS..Hα-helixtrans-63.9-21.8171.4-71.9166.2000112.5W109 L112 Q113 N116 C279 E280 Q281 R292W109-L283 HydrophobicContact CD2-CD2 3.73Å; W109-L283 HydrophobicContact CE3-CD2 3.52Å; W109-L283 HydrophobicContact CG-CD2 4.49Å; W109-L283 HydrophobicContact CH2-CB 4.08Å; W109-L283 HydrophobicContact CH2-CD2 3.89Å; W109-L283 WeakPolarHBondContact CH2-O 3.48Å; W109-L283 HydrophobicContact CZ2-CD2 4.06Å; W109-L283 HydrophobicContact CZ3-CB 4.02Å; W109-L283 HydrophobicContact CZ3-CD2 3.63Å; W109-L283 HydrophobicContact CZ3-CG 4.44Å; W109-L283 WeakPolarHBondContact CZ3-O 3.19Å; L112-L283 HydrophobicContact CB-CD2 3.68Å; L112-L283 HydrophobicContact CB-CG 3.97Å; L112-L283 HydrophobicContact CD1-CD2 4.45Å; Q113-L283 HydrophobicContact CG-CD1 4.25Å; Q113-L283 HydrophobicContact CG-CD2 3.81Å; N116-L283 HydrophobicContact CB-CD1 4.22Å; C279-L283 VanDerWaalsContact O-CG 3.28Å; C279-L283 WeakPolarHBondContact O-CG 3.33Å; C279-L283 PolarHBondContact O-N 3.46Å; E280-L283 PolarHBondContact O-N 3.36Å; Q281-L283 VanDerWaalsContact C-N 3.34Å; Q281-L283 PolarHBondContact O-N 3.41Å; L283-R292 PolarHBondContact O-NH1 3.38Å
284H97.4Very high94.7Very high127 Ų12763.6 Ų63.659%0.58832%0.322SS*.THydrogen-bonded Turntrans-96.54.6174.3-64.486.9000113E280 Q281 L282 R292E280-H284 PolarHBondContact O-N 2.88Å; E280-H284 PolarHBondContact O-ND1 3.36Å; Q281-H284 CarbonylContact O-C 3.58Å; Q281-H284 WeakPolarHBondContact O-CA 3.42Å; Q281-H284 PolarHBondContact O-N 3.4Å; L282-H284 PolarHBondContact O-N 2.8Å; H284-R292 VanDerWaalsContact C-NH1 3.32Å
285H98.3Very high93.9Very high30 Ų3060.8 Ų60.814%0.13930%0.3CS..SBendtrans-64.8146.1-178.9-164.7-94.5000111.8P260 L264 Q281 L282 Y287 F288 R292P260-H285 PolarHBondContact O-CE1 2.71Å; L264-H285 HydrophobicContact CD1-CB 3.61Å; L264-H285 PolarHBondContact N-CE1 3.11Å; L264-H285 VanDerWaalsContact N-CE1 3.25Å; Q281-H285 PolarHBondContact O-N 3.21Å; L282-H285 WeakPolarHBondContact O-CB 3.27Å; L282-H285 PolarHBondContact O-N 3.21Å; H285-Y287 WeakPolarHBondContact ND1-CB 2.84Å; H285-Y287 PolarHBondContact ND1-N 3.14Å; H285-Y287 PolarHBondContact O-N 3.44Å; H285-Y287 VanDerWaalsContact O-N 3.08Å; H285-F288 HydrophobicContact CB-CD2 4.46Å; H285-F288 PolarHBondContact O-N 3.43Å; H285-F288 VanDerWaalsContact O-N 3.08Å; H285-R292 PolarHBondContact O-NH1 3.34Å; H285-R292 PolarHBondContact O-NH2 3.38Å
286P97.6Very high92.9Very high77 Ų7759.4 Ų59.450%0.530%0.297SS..G310 helixtrans-55-25.8177.4-29.936.4000114.9F288 E289P286-F288 PolarHBondContact O-N 2.95Å; P286-E289 WeakPolarHBondContact O-CB 3.31Å; P286-E289 PolarHBondContact O-N 3.04Å
287Y97.9Very high91.8Very high10 Ų1062.6 Ų62.64%0.03932%0.317CS..G310 helixtrans-55.9-26.7176.4-176.6-107.4000113.7K105 F193 P260 A261 L264 H285K105-Y287 WeakPolarHBondContact CE-O 3.43Å; K105-Y287 HydrophobicContact CG-CD1 4.35Å; K105-Y287 HydrophobicContact CG-CE1 3.52Å; K105-Y287 HydrophobicContact CG-CE2 4.39Å; K105-Y287 WeakPolarHBondContact CG-OH 3.09Å; F193-Y287 AromaticContact CE2-CE1 3.68Å; F193-Y287 HydrophobicContact CE2-CE1 3.68Å; F193-Y287 AromaticContact CE2-CZ 3.68Å; F193-Y287 HydrophobicContact CZ-CD1 4.42Å; F193-Y287 AromaticContact CZ-CE1 3.84Å; F193-Y287 HydrophobicContact CZ-CE1 3.84Å; F193-Y287 HydrophobicContact CZ-CE2 4.14Å; F193-Y287 AromaticContact CZ-CZ 3.68Å; P260-Y287 HydrophobicContact CB-CD2 4.27Å; A261-Y287 HydrophobicContact CB-CD2 3.87Å; A261-Y287 HydrophobicContact CB-CE2 3.64Å; L264-Y287 HydrophobicContact CD2-CD1 3.68Å; L264-Y287 HydrophobicContact CD2-CE1 4.18Å; L264-Y287 HydrophobicContact CD2-CG 4.22Å; H285-Y287 WeakPolarHBondContact ND1-CB 2.84Å; H285-Y287 PolarHBondContact ND1-N 3.14Å; H285-Y287 PolarHBondContact O-N 3.44Å; H285-Y287 VanDerWaalsContact O-N 3.08Å
288F97.3Very high90.7Very high1 Ų162.7 Ų62.70%0.00433%0.326CS..G310 helixtrans-108.613.4-176.8-58.5-66.7000114.5T108 W109 L112 L264 L282 H285 P286 N290 I291 R292T108-F288 HydrophobicContact CG2-CZ 3.83Å; W109-F288 HydrophobicContact CB-CD1 4.24Å; W109-F288 HydrophobicContact CB-CE1 3.98Å; W109-F288 HydrophobicContact CD2-CD1 4.35Å; W109-F288 HydrophobicContact CD2-CG 4.41Å; W109-F288 HydrophobicContact CE3-CB 3.49Å; W109-F288 VanDerWaalsContact CE3-CB 3.49Å; W109-F288 AromaticContact CE3-CD1 3.52Å; W109-F288 HydrophobicContact CE3-CD1 3.52Å; W109-F288 AromaticContact CE3-CD2 3.55Å; W109-F288 HydrophobicContact CE3-CD2 3.55Å; W109-F288 HydrophobicContact CE3-CE1 4.01Å; W109-F288 HydrophobicContact CE3-CE2 4.04Å; W109-F288 AromaticContact CE3-CG 3.25Å; W109-F288 HydrophobicContact CE3-CG 3.25Å; W109-F288 HydrophobicContact CE3-CZ 4.25Å; W109-F288 HydrophobicContact CH2-CB 4.2Å; W109-F288 HydrophobicContact CZ3-CB 3.24Å; W109-F288 HydrophobicContact CZ3-CD1 4.18Å; W109-F288 AromaticContact CZ3-CD2 3.61Å; W109-F288 HydrophobicContact CZ3-CD2 3.61Å; W109-F288 HydrophobicContact CZ3-CE2 4.44Å; W109-F288 AromaticContact CZ3-CG 3.45Å; W109-F288 HydrophobicContact CZ3-CG 3.45Å; W109-F288 VanDerWaalsContact CZ3-CG 3.45Å; L112-F288 HydrophobicContact CD1-CE2 3.58Å; L112-F288 HydrophobicContact CD1-CZ 3.78Å; L264-F288 HydrophobicContact CD1-CD2 4.43Å; L264-F288 HydrophobicContact CD1-CE2 3.76Å; L264-F288 HydrophobicContact CD2-CE2 3.88Å; L264-F288 HydrophobicContact CD2-CZ 3.84Å; L282-F288 WeakPolarHBondContact O-CD2 2.91Å; L282-F288 WeakPolarHBondContact O-CE2 3.33Å; H285-F288 HydrophobicContact CB-CD2 4.46Å; H285-F288 PolarHBondContact O-N 3.43Å; H285-F288 VanDerWaalsContact O-N 3.08Å; P286-F288 PolarHBondContact O-N 2.95Å; F288-N290 PolarHBondContact O-N 3.18Å; F288-I291 HydrophobicContact CD1-CD1 3.73Å; F288-I291 HydrophobicContact CE1-CD1 4.44Å; F288-I291 PolarHBondContact O-N 3.13Å; F288-R292 PolarHBondContact O-N 3.04Å; F288-R292 VanDerWaalsContact O-N 3.17Å
289E91.8Very high89.5Confident101 Ų10164.7 Ų64.747%0.47233%0.329SS..Hα-helixtrans-52.4-52-178.6-170.2161.8-143.400112.4P286 I291 R292 E293P286-E289 WeakPolarHBondContact O-CB 3.31Å; P286-E289 PolarHBondContact O-N 3.04Å; E289-I291 PolarHBondContact O-N 2.79Å; E289-I291 VanDerWaalsContact O-N 3.16Å; E289-R292 PolarHBondContact O-N 3.35Å; E289-R292 VanDerWaalsContact O-N 3.1Å; E289-E293 PolarHBondContact O-N 3.23Å; E289-E293 VanDerWaalsContact O-N 3.09Å
290N87.1Confident88.1Confident98 Ų9871.1 Ų71.152%0.52436%0.358SS..Hα-helixtrans-59.9-30.2178.6-55.73.1000113.8F288 I294F288-N290 PolarHBondContact O-N 3.18Å; N290-I294 WeakPolarHBondContact O-CD1 3.49Å; N290-I294 VanDerWaalsContact O-CG1 3.27Å; N290-I294 WeakPolarHBondContact O-CG1 3.32Å; N290-I294 PolarHBondContact O-N 3.03Å
291I87.9Confident86.4Confident32 Ų3274.4 Ų74.416%0.16437%0.374CS..Hα-helixtrans-72.7-43178.4-62.4179.7000110K105 W109 F288 E289 E293 I294 E295K105-I291 HydrophobicContact CB-CD1 3.93Å; W109-I291 HydrophobicContact CB-CD1 4.08Å; W109-I291 HydrophobicContact CD2-CG2 4.2Å; W109-I291 HydrophobicContact CG-CD1 4.25Å; W109-I291 HydrophobicContact CG-CG2 4.22Å; F288-I291 HydrophobicContact CD1-CD1 3.73Å; F288-I291 HydrophobicContact CE1-CD1 4.44Å; F288-I291 PolarHBondContact O-N 3.13Å; E289-I291 PolarHBondContact O-N 2.79Å; E289-I291 VanDerWaalsContact O-N 3.16Å; I291-E293 VanDerWaalsContact C-N 3.32Å; I291-E293 PolarHBondContact O-N 2.74Å; I291-I294 PolarHBondContact O-N 2.9Å; I291-E295 PolarHBondContact O-N 3.25Å
292R86.8Confident84.6Confident51 Ų5176.6 Ų76.619%0.19239%0.388CS..Hα-helixtrans-63-41.5179-68.1-171.5-62.6-91.9-1.5111.2W109 L283 H284 H285 F288 E289 I294 E295 D296W109-R292 HydrophobicContact CH2-CG 3.54Å; W109-R292 HydrophobicContact CZ2-CG 4Å; W109-R292 HydrophobicContact CZ3-CG 4.41Å; L283-R292 PolarHBondContact O-NH1 3.38Å; H284-R292 VanDerWaalsContact C-NH1 3.32Å; H285-R292 PolarHBondContact O-NH1 3.34Å; H285-R292 PolarHBondContact O-NH2 3.38Å; F288-R292 PolarHBondContact O-N 3.04Å; F288-R292 VanDerWaalsContact O-N 3.17Å; E289-R292 PolarHBondContact O-N 3.35Å; E289-R292 VanDerWaalsContact O-N 3.1Å; R292-I294 VanDerWaalsContact C-N 3.32Å; R292-I294 PolarHBondContact O-N 3.01Å; R292-E295 PolarHBondContact O-N 2.93Å; R292-D296 WeakPolarHBondContact O-CB 3.34Å; R292-D296 VanDerWaalsContact O-CG 3.24Å; R292-D296 PolarHBondContact O-N 3.48Å
293E81.9Confident82.3Confident113 Ų11383.2 Ų83.253%0.52842%0.417SS..Hα-helixtrans-57.5-44.6174.7-69.2178.2173.300112.1E289 I291 D296 V297E289-E293 PolarHBondContact O-N 3.23Å; E289-E293 VanDerWaalsContact O-N 3.09Å; I291-E293 VanDerWaalsContact C-N 3.32Å; I291-E293 PolarHBondContact O-N 2.74Å; E293-D296 PolarHBondContact O-N 2.78Å; E293-V297 WeakPolarHBondContact O-CB 3.31Å; E293-V297 VanDerWaalsContact O-CG2 3.26Å; E293-V297 WeakPolarHBondContact O-CG2 3.34Å; E293-V297 PolarHBondContact O-N 3.05Å
294I80.4Confident80Confident123 Ų12387.8 Ų87.863%0.63145%0.448SS*.Hα-helixtrans-63.3-43.9177-66.7164.9000111.2N290 I291 R292 A298N290-I294 WeakPolarHBondContact O-CD1 3.49Å; N290-I294 VanDerWaalsContact O-CG1 3.27Å; N290-I294 WeakPolarHBondContact O-CG1 3.32Å; N290-I294 PolarHBondContact O-N 3.03Å; I291-I294 PolarHBondContact O-N 2.9Å; R292-I294 VanDerWaalsContact C-N 3.32Å; R292-I294 PolarHBondContact O-N 3.01Å; I294-A298 WeakPolarHBondContact O-CB 3.3Å; I294-A298 PolarHBondContact O-N 2.69Å
295E80.3Confident77.6Confident59 Ų5988.4 Ų88.428%0.27646%0.461SS..Hα-helixtrans-64.4-39.8177.1-79.3-167.8-166.200112.6W109 I291 R292 A298 K299W109-E295 PolarHBondContact NE1-OE1 3.47Å; I291-E295 PolarHBondContact O-N 3.25Å; R292-E295 PolarHBondContact O-N 2.93Å; E295-A298 PolarHBondContact O-N 3.46Å; E295-K299 WeakPolarHBondContact O-CB 3.33Å; E295-K299 VanDerWaalsContact O-CG 3.23Å; E295-K299 WeakPolarHBondContact O-CG 3.38Å; E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 IonicContact OE2-NZ 3.46Å; E295-K299 PolarHBondContact OE2-NZ 3.12Å
296D78.1Confident75.1Confident88 Ų8898.4 Ų98.447%0.47150%0.497SS..Hα-helixtrans-69.1-41.6-178.7-71.3-20.6000110.9R292 E293 A298 K299 E300R292-D296 WeakPolarHBondContact O-CB 3.34Å; R292-D296 VanDerWaalsContact O-CG 3.24Å; R292-D296 PolarHBondContact O-N 3.48Å; E293-D296 PolarHBondContact O-N 2.78Å; D296-A298 PolarHBondContact O-N 3.05Å; D296-K299 PolarHBondContact O-N 3.09Å; D296-K299 IonicContact OD1-NZ 3.57Å; D296-E300 WeakPolarHBondContact O-CG 3.42Å; D296-E300 PolarHBondContact O-N 3.08Å
297V75.7Confident72.8Confident78 Ų78103.7 Ų103.747%0.47351%0.512SS..Hα-helixtrans-61-44.5171.8172.50000110.9E293 K299 E300 H301E293-V297 WeakPolarHBondContact O-CB 3.31Å; E293-V297 VanDerWaalsContact O-CG2 3.26Å; E293-V297 WeakPolarHBondContact O-CG2 3.34Å; E293-V297 PolarHBondContact O-N 3.05Å; V297-K299 PolarHBondContact O-N 2.96Å; V297-E300 PolarHBondContact O-N 3.46Å; V297-H301 PolarHBondContact O-CD2 3.32Å; V297-H301 PolarHBondContact O-N 3.39Å
298A75.1Confident70.1Confident53 Ų53109.6 Ų109.644%0.43855%0.549SS..Hα-helixtrans-61.6-41.5176.800000112.3I294 E295 D296 E300 H301 D302I294-A298 WeakPolarHBondContact O-CB 3.3Å; I294-A298 PolarHBondContact O-N 2.69Å; E295-A298 PolarHBondContact O-N 3.46Å; D296-A298 PolarHBondContact O-N 3.05Å; A298-E300 VanDerWaalsContact C-N 3.32Å; A298-E300 PolarHBondContact O-N 2.73Å; A298-H301 PolarHBondContact O-N 2.88Å; A298-D302 PolarHBondContact O-N 3.08Å; A298-D302 VanDerWaalsContact O-N 3.09Å
299K74.1Confident67.4Low112 Ų112117.8 Ų117.849%0.48759%0.592SS.*Hα-helixtrans-67.1-29.6176.2-72.4165.6-165.81540112.7E295 D296 V297E295-K299 WeakPolarHBondContact O-CB 3.33Å; E295-K299 VanDerWaalsContact O-CG 3.23Å; E295-K299 WeakPolarHBondContact O-CG 3.38Å; E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 IonicContact OE2-NZ 3.46Å; E295-K299 PolarHBondContact OE2-NZ 3.12Å; D296-K299 PolarHBondContact O-N 3.09Å; D296-K299 IonicContact OD1-NZ 3.57Å; V297-K299 PolarHBondContact O-N 2.96Å
300E68.6Low64.9Low135 Ų135125.1 Ų125.163%0.63162%0.616SS**Hα-helixtrans-73.3-36.8173.6-73.7-164.6158.700112.7D296 V297 A298 K303D296-E300 WeakPolarHBondContact O-CG 3.42Å; D296-E300 PolarHBondContact O-N 3.08Å; V297-E300 PolarHBondContact O-N 3.46Å; A298-E300 VanDerWaalsContact C-N 3.32Å; A298-E300 PolarHBondContact O-N 2.73Å; E300-K303 PolarHBondContact O-N 2.9Å
301H63.5Low62.5Low157 Ų157130 Ų13073%0.72763%0.632SS**Hα-helixtrans-70.9-29.8175.7-79.1-67.4000113.6V297 A298 K303V297-H301 PolarHBondContact O-CD2 3.32Å; V297-H301 PolarHBondContact O-N 3.39Å; A298-H301 PolarHBondContact O-N 2.88Å; H301-K303 VanDerWaalsContact C-N 3.33Å
302D59.9Low59.9Low147 Ų147133.9 Ų133.979%0.78666%0.662SS**THydrogen-bonded Turntrans-82.5-2.7176.5-103-5.6000114.2A298 P304A298-D302 PolarHBondContact O-N 3.08Å; A298-D302 VanDerWaalsContact O-N 3.09Å; D302-P304 VanDerWaalsContact O-CD 3.29Å; D302-P304 WeakPolarHBondContact O-CD 3.49Å
303K50.4Low57.3Low139 Ų139142.9 Ų142.960%0.60470%0.696SS**SBendtrans-71.8118171.4-77.2171.3-171.5166.10109.1E300 H301 T305E300-K303 PolarHBondContact O-N 2.9Å; H301-K303 VanDerWaalsContact C-N 3.33Å; K303-T305 PolarHBondContact O-N 2.64Å
304P49.2Very low55Low113 Ų113147.6 Ų147.673%0.73472%0.715SS**  trans-61.4129.2175.223.7-31000109.6D302 R306D302-P304 VanDerWaalsContact O-CD 3.29Å; D302-P304 WeakPolarHBondContact O-CD 3.49Å; P304-R306 VanDerWaalsContact C-N 3.26Å; P304-R306 PolarHBondContact O-N 3.34Å
305T47.8Very low52.8Low139 Ų139150.1 Ų150.185%0.85372%0.724SS**  trans-59.478.8179.3-7.50000111.3K303 K307K303-T305 PolarHBondContact O-N 2.64Å; T305-K307 PolarHBondContact O-N 2.81Å
306R45.3Very low50.5Low241 Ų241155.5 Ų155.591%0.90975%0.749SS**  trans-78.962.6164.9-88.5-173.8170.3174-0.9110P304P304-R306 VanDerWaalsContact C-N 3.26Å; P304-R306 PolarHBondContact O-N 3.34Å
307K49.3Very low48.1Very low187 Ų187155.5 Ų155.581%0.81376%0.755SS**  trans-143.175.2166.4-80.4-169.5179.7173.20111.1T305T305-K307 PolarHBondContact O-N 2.81Å
308T42.6Very low45.9Very low134 Ų134160.5 Ų160.582%0.82277%0.771SS**  trans-175.1101.6143.319.90000109.5
309L39.4Very low43.6Very low173 Ų173163.2 Ų163.291%0.90678%0.782SS**  trans17275.6135-109.795.6000108.6
310R40.1Very low41.4Very low255 Ų255166 Ų16696%0.96280%0.796SS**  trans-142.868.5156.5-108.7-175.6165.8172.3-4.4108.4
311K36.4Very low39.6Very low200 Ų200165 Ų16587%0.8780%0.8SS**  trans-131.9144.5154.6-90.6-173176.2179.30108.8
312S32.4Very low37.9Very low114 Ų114162.4 Ų162.480%0.79780%0.799SS**  trans92.677.8168.8-46.30000116.4
313R32.8Very low36.4Very low241 Ų241164 Ų16491%0.90980%0.799SS**  -173.298.8125.6-101165.3-179.8-1741.3110.5
314K34.1Very low35.3Very low211 Ų211163.5 Ų163.592%0.91780%0.802SS**  170.9121.4115.6-90.5177-178.6-174.20110.2
315H34.3Very low34.3Very low176 Ų176165.4 Ų165.482%0.81580%0.801SS**  trans-81.3162163.3-89.7-84.1000110.4
316H30.8Very low33.3Very low172 Ų172168.4 Ų168.480%0.79680%0.799SS**  trans84.2133.1168.3-64.4-20.8000115.8
317C28.6Very low32.5Very low89 Ų89163.6 Ų163.660%0.60179%0.79SS**  cis-176.5147.2-4.3-117.30000105.2
318F28.3Very low31.9Very low183 Ų183160.7 Ų160.780%0.80379%0.79SS**  trans34.2139.8148.9-61.5-95.8000119.5
319T28.6Very low31.5Very low109 Ų109162.6 Ų162.667%0.66979%0.79SS**  cis-176.2146.12310.30000109
320E28.1Very low30.9Very low170 Ų170162 Ų16279%0.79479%0.786SS**  trans49131.3139.1-73.7-176.1155.400124.8
321T29.1Very low30.3Very low116 Ų116155.9 Ų155.971%0.71278%0.778SS**  trans87.5111.7133.9510000122.4
322S28.2Very low29.8Very low101 Ų101149.8 Ų149.871%0.70677%0.772SS**  97.4121.3118.4720000121.7
323K28Very low29.6Very low181 Ų181150.3 Ų150.379%0.78778%0.776SS**  73.7126.4127.9-82.6179174.1-177.70122.4
324L27.4Very low29.4Very low129 Ų129144.1 Ų144.168%0.67577%0.769SS**  trans65.3149.8136.7-70.2152.3000116.3
325Q28.8Very low29.3Very low152 Ų152142 Ų14271%0.7177%0.766SS**  cis-173.6146.222.3-135.7153.2-0.100108.9
326Y27.6Very low29.2Very low203 Ų203141.5 Ų141.580%0.79677%0.769SS**  trans42.7122.6140.7-77.6-105.5000124.6
327L27.1Very low29.4Very low140 Ų140138.8 Ų138.873%0.73377%0.767SS**  18.7157.9127.9-81.7152.6000121.1
328P37.4Very low29.5Very low125 Ų125139 Ų13981%0.81277%0.774SS**  cis-149.3178.640.236.8-12.5000119.5
329Q32.9Very low29.6Very low174 Ų174139 Ų13981%0.81378%0.782SS**  trans-78.9155.9171.4-68.4173.1-34.200114.3
330L28.1Very low29.6Very low160 Ų160140 Ų14084%0.83878%0.783SS**  trans-154.2116.1151.5-80.2169.9000107.2
331T27.2Very low29.5Very low127 Ų127138.1 Ų138.178%0.77978%0.779SS**  76.6125.272.961.40000117.3
332G26.2Very low29.5Very low73 Ų73141.9 Ų141.975%0.75379%0.785SS**  trans79.8142156.500000115.4
333S28.1Very low29.5Very low124 Ų124146 Ų14687%0.86779%0.79SS**  cis-166.9157.626.3-43.90000110
334S29.2Very low29.6Very low111 Ų111148 Ų14878%0.77679%0.794SS**  trans-46.5152.6171.1-280000115.3
335I31.3Very low29.5Very low167 Ų167152 Ų15286%0.85680%0.802SS**  trans-178.2123.6135.7-86.4146.1000108.7
336L31.2Very low29.5Very low166 Ų166150.2 Ų150.287%0.86981%0.805SS**  trans-83.6151.6158.7-84.2161.6000108.8
337P36.6Very low29.5Very low115 Ų115148 Ų14875%0.74781%0.807SS**  -13815211831.3-16.2000113.8
338A30.6Very low29.7Very low93 Ų93147.8 Ų147.877%0.76981%0.812SS**  trans-69.5148.1166.400000111.2
339L30.5Very low29.4Very low184 Ų184151 Ų15196%0.96381%0.813SS**  trans-154.8150.3154.1-105.5165.8000110.5
340D28.2Very low29.2Very low129 Ų129152 Ų15269%0.6982%0.815SS**  trans-101.8160.9-152.2-151.71.9000112.6
341N26.5Very low29.3Very low131 Ų131150.7 Ų150.770%0.70181%0.808SS**  trans56.8117155.1-74.7-47.7000121.6
342K29Very low29.3Very low195 Ų195151.7 Ų151.785%0.84881%0.808SS**  -177.2135.7110-101.2168-175.5173.30114.7
343K28.1Very low29.5Very low188 Ų188156.9 Ų156.982%0.81781%0.806SS**  trans-27.6129.1164.4-66.6168.3175.3174.80115.6
344Y28.5Very low29.4Very low222 Ų222162.5 Ų162.587%0.87181%0.809SS**  trans-120.4105.9147.9-82.5-84.4000109.9
345Y26.9Very low29.7Very low212 Ų212166.2 Ų166.283%0.83181%0.811SS**  trans-62.3129.6155.6-105.1-103.4000108.1
346C28.1Very low29.9Very low115 Ų115163.4 Ų163.478%0.77780%0.804SS**  trans-131.1108.7159.6-97.10000109.8T348C346-T348 PolarHBondContact O-N 3.03Å
347N27.6Very low30Very low156 Ų156163.5 Ų163.583%0.83481%0.805SS**  trans-50115.4167.1-90.8-32.9000111
348T31.1Very low30.1Very low137 Ų137168.6 Ų168.684%0.8482%0.824SS**  trans-95.7103.7159.7440000108.7C346 K350C346-T348 PolarHBondContact O-N 3.03Å; T348-K350 PolarHBondContact O-N 3.24Å
349K30.4Very low30.1Very low192 Ų192172.4 Ų172.484%0.83583%0.827SS**  trans-56.4124.9169.4-78.8177.1173.1176.80109.2L351K349-L351 PolarHBondContact O-N 2.77Å; K349-L351 VanDerWaalsContact O-N 3.14Å
350K29.8Very low30Very low195 Ų195171.7 Ų171.785%0.84882%0.819SS**  trans-57.1110.1163.1-76.6177.4175.5177.30109.1T348 N352T348-K350 PolarHBondContact O-N 3.24Å; K350-N352 PolarHBondContact O-N 2.92Å
351L29.2Very low30.1Very low133 Ų133174.1 Ų174.170%0.69683%0.827SS**  trans-88.195.5164-90.8152.3000108.2K349 Y353K349-L351 PolarHBondContact O-N 2.77Å; K349-L351 VanDerWaalsContact O-N 3.14Å; L351-Y353 HydrophobicContact CB-CD2 4.22Å; L351-Y353 HydrophobicContact CB-CE2 3.86Å; L351-Y353 HydrophobicContact CD2-CE2 4.22Å; L351-Y353 HydrophobicContact CG-CE2 4.45Å; L351-Y353 PolarHBondContact O-N 3.04Å
352N27.1Very low30.4Very low147 Ų147176.6 Ų176.679%0.78683%0.834SS**  trans-68.2101.9165.4-79.7-27000108.6K350 R354K350-N352 PolarHBondContact O-N 2.92Å; N352-R354 PolarHBondContact O-N 3.24Å
353Y30.5Very low30.4Very low182 Ų182175.5 Ų175.571%0.71483%0.833SS**  trans-87102.4165-77.2-79.8000109.2L351 F355L351-Y353 HydrophobicContact CB-CD2 4.22Å; L351-Y353 HydrophobicContact CB-CE2 3.86Å; L351-Y353 HydrophobicContact CD2-CE2 4.22Å; L351-Y353 HydrophobicContact CG-CE2 4.45Å; L351-Y353 PolarHBondContact O-N 3.04Å; Y353-F355 PolarHBondContact O-N 2.99Å
354R27.3Very low30.6Very low242 Ų242174.7 Ų174.791%0.91383%0.834SS**PPolyproline II helixtrans-66.6120.5159.7-82-175.9174.1-179.2-1.9107.9N352N352-R354 PolarHBondContact O-N 3.24Å
355F35.6Very low30.7Very low189 Ų189171.3 Ų171.383%0.82983%0.832SS**PPolyproline II helixtrans-82.3135.1163.2-76-85.5000109Y353Y353-F355 PolarHBondContact O-N 2.99Å
356P34Very low31Very low109 Ų109168.2 Ų168.271%0.70883%0.832SS**PPolyproline II helixtrans-74.4138.7166.729-30000110.2I358P356-I358 PolarHBondContact O-N 3.29Å
357D35.2Very low31.3Very low167 Ų167172.6 Ų172.689%0.89384%0.836SS**  trans-57.3113.9175.9-64.9-54.4000111.4
358I37.5Very low31.6Very low222 Ų222174.1 Ų174.1100%1.13884%0.836SS**  trans-140.70158.9-58.6-176.7000109.2P356P356-I358 PolarHBondContact O-N 3.29Å

Retrieved 358 of 358 residues in 950.7 ms (Link to these results)

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