G4LXS0_SCHMA Loading...

Aldo-keto reductase, putative

AlphaFold DB , UniProt , Accession G4LXS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 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
1M75.7Confident95.4Very high105 Ų10569.6 Ų69.652%0.51737%0.371SS..  01320174.9-179.9-90.300107.8P13 I15 G38 R40 F268M1-P13 HydrophobicContact CG-CB 4.27Å; M1-P13 HydrophobicContact SD-CB 3.43Å; M1-P13 WeakPolarHBondContact SD-CB 3.36Å; M1-P13 HydrophobicContact SD-CG 4.26Å; M1-I15 HydrophobicContact CE-CG2 4.01Å; M1-G38 WeakPolarHBondContact CE-O 3.4Å; M1-R40 HydrophobicContact CE-CB 4.32Å; M1-R40 HydrophobicContact CE-CG 4.45Å; M1-R40 HydrophobicContact SD-CB 3.82Å; M1-R40 HydrophobicContact SD-CG 4.28Å; M1-F268 HydrophobicContact CE-CE2 3.45Å; M1-F268 VanDerWaalsContact CE-CE2 3.45Å; M1-F268 HydrophobicContact CE-CZ 3.86Å
2E91.3Very high95.7Very high91 Ų9163.8 Ų63.843%0.42534%0.34SS..  trans-66.5145.7175.7-68.5179.7-165.300111.2I14 F271E2-I14 HydrophobicContact CB-CG2 3.81Å; E2-I14 WeakPolarHBondContact O-CG2 3.35Å; E2-I14 PolarHBondContact O-N 2.72Å; E2-F271 HydrophobicContact CB-CE1 4.09Å; E2-F271 HydrophobicContact CG-CD1 4.17Å; E2-F271 HydrophobicContact CG-CE1 4.22Å
3S97.4Very high95.9Very high59 Ų5960.2 Ų60.241%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-145.2150.3-178.466.60000110.9I12S3-I12 CarbonylContact C-O 3.54Å; S3-I12 VanDerWaalsContact CA-O 3.26Å; S3-I12 WeakPolarHBondContact CA-O 3.28Å; S3-I12 WeakPolarHBondContact CB-O 3.42Å
4L98.2Very high96.1Very high23 Ų2356.2 Ų56.212%0.1230%0.301CS..EExtended strand (participates in β ladder)trans-102144.3172.3-57.6-172.3000110.4S11 I12 I14 T203 N251 I253L4-S11 CarbonylContact O-C 3.58Å; L4-S11 VanDerWaalsContact O-CA 3.29Å; L4-S11 WeakPolarHBondContact O-CA 3.5Å; L4-I12 HydrophobicContact CB-CG2 4.23Å; L4-I12 PolarHBondContact N-O 3.09Å; L4-I12 PolarHBondContact O-N 2.77Å; L4-I14 HydrophobicContact CD1-CD1 4.39Å; L4-I14 HydrophobicContact CD1-CG1 4.49Å; L4-I14 HydrophobicContact CD2-CD1 4.09Å; L4-I14 HydrophobicContact CG-CD1 4.17Å; L4-I14 HydrophobicContact CG-CG1 4.33Å; L4-T203 HydrophobicContact CB-CG2 4.17Å; L4-N251 VanDerWaalsContact CD1-O 3.3Å; L4-N251 WeakPolarHBondContact CD1-O 3.36Å; L4-N251 WeakPolarHBondContact CD2-OD1 3.5Å; L4-I253 HydrophobicContact CB-CD1 4.44Å; L4-I253 HydrophobicContact CD1-CD1 3.83Å; L4-I253 HydrophobicContact CD1-CG1 4.14Å; L4-I253 HydrophobicContact CG-CD1 4.47Å
5K98.5Very high96.2Very high159 Ų15952.5 Ų52.569%0.69128%0.281SS*.EExtended strand (participates in β ladder)trans-86.3122.5175.9-167.9170.9-177.61770109.6T203K5-T203 WeakPolarHBondContact O-CG2 3.14Å
6M98.7Very high96.4Very high5 Ų549.2 Ų49.23%0.02526%0.263CS..PPolyproline II helixtrans-77.7161.5171.5-62.4-174.8-64.600110.7N8 G9 R10 I12 F73 S155 A178 T203M6-N8 WeakPolarHBondContact CB-OD1 3.5Å; M6-N8 PolarHBondContact O-N 2.64Å; M6-N8 VanDerWaalsContact O-N 3.15Å; M6-G9 PolarHBondContact O-N 3.44Å; M6-R10 WeakPolarHBondContact CB-O 3.26Å; M6-R10 HydrophobicContact CE-CB 3.72Å; M6-R10 PolarHBondContact N-O 3.07Å; M6-I12 HydrophobicContact CG-CB 4.37Å; M6-I12 HydrophobicContact CG-CG2 3.89Å; M6-I12 HydrophobicContact SD-CB 4.18Å; M6-I12 HydrophobicContact SD-CG2 4.23Å; M6-F73 HydrophobicContact CE-CE2 3.87Å; M6-F73 HydrophobicContact CE-CZ 3.87Å; M6-F73 HydrophobicContact SD-CZ 4.34Å; M6-S155 WeakPolarHBondContact CE-OG 3.23Å; M6-A178 HydrophobicContact CB-CB 4.19Å; M6-A178 HydrophobicContact SD-CB 3.99Å; M6-T203 HydrophobicContact CB-CG2 4.4Å; M6-T203 HydrophobicContact CG-CG2 3.85Å
7N97.9Very high96.5Very high64 Ų6446.5 Ų46.534%0.34225%0.249SC..THydrogen-bonded Turntrans-64.3-17.7-17857.533.1000114.9G9 P177 A178 G201N7-G9 PolarHBondContact O-N 2.93Å; N7-P177 PolarHBondContact ND2-O 3.49Å; N7-A178 WeakPolarHBondContact OD1-CA 2.98Å; N7-G201 WeakPolarHBondContact CB-O 3.25Å; N7-G201 PolarHBondContact ND2-O 2.95Å; N7-G201 VanDerWaalsContact ND2-O 3.13Å
8N97.4Very high96.6Very high65 Ų6544.2 Ų44.235%0.34824%0.238SC..THydrogen-bonded Turntrans-86.18.717269.1-1.2000113.2M6 R10 K154 S155M6-N8 WeakPolarHBondContact CB-OD1 3.5Å; M6-N8 PolarHBondContact O-N 2.64Å; M6-N8 VanDerWaalsContact O-N 3.15Å; N8-R10 VanDerWaalsContact C-N 3.28Å; N8-R10 PolarHBondContact O-N 3.04Å; N8-R10 WeakPolarHBondContact OD1-CB 3.37Å; N8-R10 PolarHBondContact OD1-N 3.32Å; N8-K154 PolarHBondContact ND2-O 3.33Å; N8-S155 WeakPolarHBondContact ND2-CB 3.45Å; N8-S155 PolarHBondContact ND2-OG 3.28Å
9G97.4Very high96.7Very high40 Ų4041.8 Ų41.841%0.41223%0.225SC..SBendtrans83.9-11.4176.200000115.5M6 N7M6-G9 PolarHBondContact O-N 3.44Å; N7-G9 PolarHBondContact O-N 2.93Å
10R98.2Very high96.7Very high93 Ų9344.9 Ų44.935%0.35123%0.233SC..  trans-75.8153.2175.2-61.1-178.768.183.5-3110.7M6 N8 D105M6-R10 WeakPolarHBondContact CB-O 3.26Å; M6-R10 HydrophobicContact CE-CB 3.72Å; M6-R10 PolarHBondContact N-O 3.07Å; N8-R10 VanDerWaalsContact C-N 3.28Å; N8-R10 PolarHBondContact O-N 3.04Å; N8-R10 WeakPolarHBondContact OD1-CB 3.37Å; N8-R10 PolarHBondContact OD1-N 3.32Å; R10-D105 IonicContact NH2-OD1 3.86Å; R10-D105 PolarHBondContact NH2-OD1 2.82Å
11S98.5Very high96.3Very high62 Ų6247.3 Ų47.343%0.43425%0.246SC..EExtended strand (participates in β ladder)trans-99.4139.4175.5-61.20000111.3L4 F73L4-S11 CarbonylContact O-C 3.58Å; L4-S11 VanDerWaalsContact O-CA 3.29Å; L4-S11 WeakPolarHBondContact O-CA 3.5Å; S11-F73 WeakPolarHBondContact O-CD2 3.3Å; S11-F73 WeakPolarHBondContact O-CE2 3.43Å
12I98.8Very high97.1Very high0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-110.5126.6170.5-177.2169.8000108.8S3 L4 M6 I14 F73 L106 T203 I253S3-I12 CarbonylContact C-O 3.54Å; S3-I12 VanDerWaalsContact CA-O 3.26Å; S3-I12 WeakPolarHBondContact CA-O 3.28Å; S3-I12 WeakPolarHBondContact CB-O 3.42Å; L4-I12 HydrophobicContact CB-CG2 4.23Å; L4-I12 PolarHBondContact N-O 3.09Å; L4-I12 PolarHBondContact O-N 2.77Å; M6-I12 HydrophobicContact CG-CB 4.37Å; M6-I12 HydrophobicContact CG-CG2 3.89Å; M6-I12 HydrophobicContact SD-CB 4.18Å; M6-I12 HydrophobicContact SD-CG2 4.23Å; I12-I14 PolarHBondContact O-N 3Å; I12-F73 HydrophobicContact CB-CD2 4.48Å; I12-F73 HydrophobicContact CB-CE1 4.47Å; I12-F73 HydrophobicContact CB-CE2 3.96Å; I12-F73 HydrophobicContact CB-CZ 3.96Å; I12-F73 HydrophobicContact CD1-CD1 4.47Å; I12-F73 HydrophobicContact CD1-CE1 3.81Å; I12-F73 HydrophobicContact CD1-CZ 3.96Å; I12-F73 HydrophobicContact CG1-CD1 4.17Å; I12-F73 HydrophobicContact CG1-CD2 4.47Å; I12-F73 HydrophobicContact CG1-CE1 3.85Å; I12-F73 HydrophobicContact CG1-CE2 4.17Å; I12-F73 HydrophobicContact CG1-CG 4.47Å; I12-F73 HydrophobicContact CG1-CZ 3.84Å; I12-L106 HydrophobicContact CD1-CD2 4.12Å; I12-T203 HydrophobicContact CG2-CG2 4.42Å; I12-I253 HydrophobicContact CD1-CD1 4.37Å; I12-I253 HydrophobicContact CD1-CG1 4.25Å; I12-I253 HydrophobicContact CD1-CG2 4.38Å; I12-I253 HydrophobicContact CG1-CG1 4.28Å; I12-I253 HydrophobicContact CG2-CD1 3.65Å; I12-I253 HydrophobicContact CG2-CG1 3.84Å
13P98.8Very high97.1Very high17 Ų1740.9 Ų40.911%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-64.5136177.2-18.530.6000111.7M1 I15 R40 H41 F73 I253M1-P13 HydrophobicContact CG-CB 4.27Å; M1-P13 HydrophobicContact SD-CB 3.43Å; M1-P13 WeakPolarHBondContact SD-CB 3.36Å; M1-P13 HydrophobicContact SD-CG 4.26Å; P13-I15 PolarHBondContact O-N 3.36Å; P13-R40 HydrophobicContact CG-CB 4.45Å; P13-H41 HydrophobicContact CB-CB 3.96Å; P13-H41 HydrophobicContact CG-CB 3.99Å; P13-H41 PolarHBondContact O-ND1 3.12Å; P13-F73 HydrophobicContact CG-CB 4.01Å; P13-I253 WeakPolarHBondContact O-CG2 3.39Å
14I98.3Very high96.9Very high4 Ų443.9 Ų43.92%0.02124%0.239CC..SBendtrans-70.1-18-168.3-157.1165.9000113.4E2 L4 I12 I248 L252 I253 I254 F271E2-I14 HydrophobicContact CB-CG2 3.81Å; E2-I14 WeakPolarHBondContact O-CG2 3.35Å; E2-I14 PolarHBondContact O-N 2.72Å; L4-I14 HydrophobicContact CD1-CD1 4.39Å; L4-I14 HydrophobicContact CD1-CG1 4.49Å; L4-I14 HydrophobicContact CD2-CD1 4.09Å; L4-I14 HydrophobicContact CG-CD1 4.17Å; L4-I14 HydrophobicContact CG-CG1 4.33Å; I12-I14 PolarHBondContact O-N 3Å; I14-I248 HydrophobicContact CD1-CB 4.38Å; I14-I248 HydrophobicContact CD1-CG1 4.26Å; I14-I248 HydrophobicContact CD1-CG2 3.88Å; I14-I248 HydrophobicContact CG1-CG1 4.24Å; I14-I248 HydrophobicContact CG2-CD1 4.5Å; I14-L252 WeakPolarHBondContact CG1-O 3.3Å; I14-I253 CarbonylContact O-C 3.55Å; I14-I253 VanDerWaalsContact O-CA 3.29Å; I14-I253 WeakPolarHBondContact O-CA 3.02Å; I14-I254 WeakPolarHBondContact O-CG1 3.42Å; I14-I254 PolarHBondContact O-N 3.44Å; I14-F271 HydrophobicContact CG2-CE1 3.73Å; I14-F271 HydrophobicContact CG2-CZ 3.95Å
15I98.6Very high96.6Very high0 Ų045.1 Ų45.10%026%0.257CS..BIsolated β-bridgetrans-123.2122.3174.7-168.5172.8000110.3M1 P13 Y39 I254 N267 F268 V270 F271M1-I15 HydrophobicContact CE-CG2 4.01Å; P13-I15 PolarHBondContact O-N 3.36Å; I15-Y39 HydrophobicContact CD1-CE1 3.86Å; I15-Y39 WeakPolarHBondContact CD1-OH 3.31Å; I15-Y39 HydrophobicContact CG1-CD1 4.37Å; I15-Y39 HydrophobicContact CG1-CE1 3.62Å; I15-I254 WeakPolarHBondContact CA-O 3.32Å; I15-I254 HydrophobicContact CB-CD1 4.33Å; I15-I254 HydrophobicContact CB-CG1 4.15Å; I15-I254 HydrophobicContact CD1-CD1 3.97Å; I15-I254 HydrophobicContact CG1-CD1 3.87Å; I15-I254 HydrophobicContact CG1-CG1 3.97Å; I15-N267 WeakPolarHBondContact CD1-O 3.08Å; I15-F268 HydrophobicContact CD1-CD2 4.42Å; I15-F268 HydrophobicContact CG2-CD2 4.12Å; I15-F268 HydrophobicContact CG2-CE2 4.01Å; I15-V270 HydrophobicContact CD1-CG2 4.32Å; I15-F271 HydrophobicContact CB-CZ 4.38Å; I15-F271 HydrophobicContact CG2-CE2 4.16Å; I15-F271 HydrophobicContact CG2-CZ 3.81Å
16G98.7Very high96.6Very high0 Ų041.8 Ų41.80%024%0.244CC..  trans-117.7159.1172.600000112.4H41 I254 V255 P256G16-H41 CarbonylContact C-O 3.59Å; G16-H41 WeakPolarHBondContact CA-O 3.5Å; G16-I254 PolarHBondContact N-O 3.01Å; G16-V255 WeakPolarHBondContact O-CA 3.23Å; G16-P256 WeakPolarHBondContact O-CD 3.39Å
17L98.7Very high96.5Very high3 Ų341.6 Ų41.62%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-83.3113.6169-177.870.6000108.5A30 V31 A34 Y39 H41 L42 D43L17-A30 HydrophobicContact CD2-CB 4.3Å; L17-V31 HydrophobicContact CD2-CG2 4.01Å; L17-A34 HydrophobicContact CB-CB 4.28Å; L17-A34 HydrophobicContact CD1-CB 4.35Å; L17-A34 HydrophobicContact CD2-CB 3.84Å; L17-A34 HydrophobicContact CG-CB 4.38Å; L17-Y39 HydrophobicContact CB-CD1 4.28Å; L17-H41 PolarHBondContact N-O 3.42Å; L17-L42 HydrophobicContact CB-CD2 4.06Å; L17-L42 HydrophobicContact CD2-CD2 4.32Å; L17-D43 PolarHBondContact O-N 3.37Å
18G98.3Very high96.5Very high5 Ų538.8 Ų38.85%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-71.3133168.300000110.2V255 P256 K257G18-V255 WeakPolarHBondContact CA-O 3.47Å; G18-P256 PolarHBondContact N-O 2.83Å; G18-K257 VanDerWaalsContact O-CA 3.25Å; G18-K257 WeakPolarHBondContact O-CA 3.5Å; G18-K257 VanDerWaalsContact O-CB 3.23Å; G18-K257 WeakPolarHBondContact O-CB 3.27Å; G18-K257 WeakPolarHBondContact O-CG 3.46Å
19T98Very high96.6Very high0 Ų039.7 Ų39.70%024%0.237CC..  trans-111.8-4.1-17462.50000114.5S22 V27 D43 C44 N50 I54T19-S22 WeakPolarHBondContact O-CB 3.23Å; T19-S22 PolarHBondContact O-N 3.13Å; T19-S22 PolarHBondContact O-OG 2.71Å; T19-V27 HydrophobicContact CG2-CG2 4.29Å; T19-D43 WeakPolarHBondContact CB-O 3.47Å; T19-D43 WeakPolarHBondContact CG2-O 3.39Å; T19-D43 PolarHBondContact N-O 3.23Å; T19-D43 PolarHBondContact OG1-O 3.16Å; T19-C44 WeakPolarHBondContact OG1-CA 3.44Å; T19-N50 PolarHBondContact O-ND2 3.38Å; T19-I54 HydrophobicContact CG2-CD1 3.76Å; T19-I54 HydrophobicContact CG2-CG1 4.43Å
20W95.8Very high96.6Very high102 Ų10237.9 Ų37.939%0.38622%0.218SC..THydrogen-bonded Turntrans-56.5138.4178.4-178.451.8000112.5S22 Y48 A215 K257 F293W20-S22 PolarHBondContact O-N 3.22Å; W20-Y48 HydrophobicContact CB-CD1 4.24Å; W20-Y48 HydrophobicContact CB-CD2 4.04Å; W20-Y48 HydrophobicContact CB-CE1 3.86Å; W20-Y48 HydrophobicContact CB-CE2 3.65Å; W20-Y48 HydrophobicContact CB-CG 4.34Å; W20-Y48 AromaticContact CD1-CD1 3.31Å; W20-Y48 AromaticContact CD1-CE1 3.25Å; W20-Y48 AromaticContact CD1-CZ 3.92Å; W20-Y48 HydrophobicContact CG-CD1 4.11Å; W20-Y48 AromaticContact CG-CE1 3.76Å; W20-Y48 HydrophobicContact CG-CE1 3.76Å; W20-Y48 HydrophobicContact CG-CE2 4.44Å; W20-Y48 AromaticContact CG-CZ 3.96Å; W20-A215 HydrophobicContact CH2-CB 3.77Å; W20-A215 HydrophobicContact CZ3-CB 3.87Å; W20-K257 VanDerWaalsContact O-CE 3.26Å; W20-K257 WeakPolarHBondContact O-CE 3.19Å; W20-K257 WeakPolarHBondContact O-CG 3.3Å; W20-F293 AromaticContact CH2-CE1 3.68Å; W20-F293 HydrophobicContact CH2-CE1 3.68Å; W20-F293 HydrophobicContact CH2-CZ 4.24Å; W20-F293 AromaticContact CZ3-CE1 3.88Å; W20-F293 HydrophobicContact CZ3-CE1 3.88Å; W20-F293 AromaticContact CZ3-CZ 3.98Å; W20-F293 HydrophobicContact CZ3-CZ 3.98Å
21N89.8Confident96.6Very high96 Ų9633.4 Ų33.451%0.51320%0.202SC..THydrogen-bonded Turntrans5929175.3-161.531.6000113.4K257N21-K257 VanDerWaalsContact O-CE 3.31Å; N21-K257 WeakPolarHBondContact O-CE 3.42Å; N21-K257 PolarHBondContact O-NZ 2.82Å
22S91.6Very high96.6Very high11 Ų1134.7 Ų34.78%0.07720%0.199CC..PPolyproline II helixtrans-88.5120.2171.9-54.50000108.7T19 W20 K257T19-S22 WeakPolarHBondContact O-CB 3.23Å; T19-S22 PolarHBondContact O-N 3.13Å; T19-S22 PolarHBondContact O-OG 2.71Å; W20-S22 PolarHBondContact O-N 3.22Å; S22-K257 WeakPolarHBondContact OG-CE 3.28Å
23P91Very high96.6Very high51 Ų5136.8 Ų36.833%0.33121%0.209SC..PPolyproline II helixtrans-61.4153.3-177.7-24.335000112.8G25 E26 V27P23-G25 PolarHBondContact O-N 2.84Å; P23-E26 HydrophobicContact CB-CB 4.46Å; P23-E26 HydrophobicContact CB-CG 4.39Å; P23-E26 PolarHBondContact O-N 2.75Å; P23-E26 VanDerWaalsContact O-N 3.13Å; P23-V27 PolarHBondContact O-N 3.3Å
24P93.2Very high96.6Very high122 Ų12236 Ų3679%0.79220%0.203SC*.THydrogen-bonded Turntrans-54.1138.3170.6-24.334.2000111.8E26 E53P24-E26 PolarHBondContact O-N 3.24Å; P24-E53 WeakPolarHBondContact CA-OE2 3.42Å
25G93.6Very high96.7Very high49 Ų4935.8 Ų35.851%0.50520%0.202SC..THydrogen-bonded Turntrans82.2-21.2-176.800000114.5P23 E53P23-G25 PolarHBondContact O-N 2.84Å; G25-E53 VanDerWaalsContact C-OE1 3.27Å; G25-E53 WeakPolarHBondContact CA-OE1 3.37Å; G25-E53 VanDerWaalsContact N-CD 3.3Å; G25-E53 PolarHBondContact N-OE1 3.41Å; G25-E53 PolarHBondContact N-OE2 3.42Å
26E97.3Very high96.7Very high89 Ų8941 Ų4142%0.41623%0.227SC..THydrogen-bonded Turntrans-94.5-34.1178.6-68.1-172.8-130.700112.7P23 P24 G28 V29 A30 V259P23-E26 HydrophobicContact CB-CB 4.46Å; P23-E26 HydrophobicContact CB-CG 4.39Å; P23-E26 PolarHBondContact O-N 2.75Å; P23-E26 VanDerWaalsContact O-N 3.13Å; P24-E26 PolarHBondContact O-N 3.24Å; E26-G28 PolarHBondContact O-N 3.38Å; E26-V29 PolarHBondContact O-N 3.04Å; E26-A30 WeakPolarHBondContact O-CB 3.23Å; E26-A30 PolarHBondContact O-N 3.02Å; E26-V259 HydrophobicContact CB-CB 4.06Å; E26-V259 HydrophobicContact CB-CG1 3.96Å; E26-V259 WeakPolarHBondContact OE2-CG2 3.47Å
27V97.4Very high96.6Very high0 Ų042.8 Ų42.80%024%0.237CC..Hα-helixtrans-66.8-37.1-176.870.60000112T19 P23 V29 A30 V31 N50 E53 I54T19-V27 HydrophobicContact CG2-CG2 4.29Å; P23-V27 PolarHBondContact O-N 3.3Å; V27-V29 VanDerWaalsContact C-N 3.34Å; V27-V29 PolarHBondContact O-N 3.28Å; V27-A30 WeakPolarHBondContact O-CB 3.42Å; V27-A30 PolarHBondContact O-N 3.13Å; V27-V31 VanDerWaalsContact O-CG2 3.31Å; V27-V31 WeakPolarHBondContact O-CG2 3.49Å; V27-V31 PolarHBondContact O-N 3.21Å; V27-N50 HydrophobicContact CG1-CB 4.14Å; V27-E53 HydrophobicContact CG1-CB 3.83Å; V27-E53 HydrophobicContact CG1-CG 3.74Å; V27-E53 WeakPolarHBondContact CG1-OE1 3.47Å; V27-E53 PolarHBondContact N-OE1 2.94Å; V27-I54 HydrophobicContact CG1-CG1 4.27Å; V27-I54 HydrophobicContact CG2-CD1 4.04Å; V27-I54 HydrophobicContact CG2-CG1 3.71Å
28G97.8Very high96.6Very high6 Ų643.5 Ų43.56%0.06225%0.245CC..Hα-helixtrans-67-37.3178.100000112.1E26 K32 E53 A57E26-G28 PolarHBondContact O-N 3.38Å; G28-K32 WeakPolarHBondContact O-CG 3.27Å; G28-K32 PolarHBondContact O-N 2.87Å; G28-K32 VanDerWaalsContact O-N 3.12Å; G28-E53 PolarHBondContact N-OE1 2.62Å; G28-A57 WeakPolarHBondContact O-CB 3.4Å
29V98.1Very high96.6Very high83 Ų8343.3 Ų43.350%0.50324%0.243SC..Hα-helixtrans-65.6-43.5172.7177.10000110.3E26 V27 V31 K32 K33E26-V29 PolarHBondContact O-N 3.04Å; V27-V29 VanDerWaalsContact C-N 3.34Å; V27-V29 PolarHBondContact O-N 3.28Å; V29-V31 PolarHBondContact O-N 2.88Å; V29-K32 PolarHBondContact O-N 3.45Å; V29-K33 WeakPolarHBondContact O-CB 3.34Å; V29-K33 PolarHBondContact O-N 3.12Å
30A98.5Very high96.6Very high2 Ų246.3 Ų46.32%0.01725%0.254CS..Hα-helixtrans-61-43.9177.300000112.5L17 E26 V27 K33 A34 S258 V259 I264L17-A30 HydrophobicContact CD2-CB 4.3Å; E26-A30 WeakPolarHBondContact O-CB 3.23Å; E26-A30 PolarHBondContact O-N 3.02Å; V27-A30 WeakPolarHBondContact O-CB 3.42Å; V27-A30 PolarHBondContact O-N 3.13Å; A30-K33 PolarHBondContact O-N 2.78Å; A30-A34 VanDerWaalsContact O-CB 3.27Å; A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 2.9Å; A30-S258 WeakPolarHBondContact CB-O 3.44Å; A30-V259 HydrophobicContact CB-CB 4.49Å; A30-V259 HydrophobicContact CB-CG1 4.2Å; A30-I264 HydrophobicContact CB-CD1 3.95Å
31V98.7Very high96.8Very high0 Ų041.4 Ų41.40%024%0.236CC..Hα-helixtrans-61.6-50.2177.2168.20000111L17 V27 V29 K33 A34 L35 L42 I54 A57L17-V31 HydrophobicContact CD2-CG2 4.01Å; V27-V31 VanDerWaalsContact O-CG2 3.31Å; V27-V31 WeakPolarHBondContact O-CG2 3.49Å; V27-V31 PolarHBondContact O-N 3.21Å; V29-V31 PolarHBondContact O-N 2.88Å; V31-K33 VanDerWaalsContact C-N 3.32Å; V31-K33 PolarHBondContact O-N 3.17Å; V31-A34 PolarHBondContact O-N 2.88Å; V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 3.35Å; V31-L42 HydrophobicContact CG1-CD1 3.93Å; V31-L42 HydrophobicContact CG1-CD2 4.31Å; V31-L42 HydrophobicContact CG2-CD2 4.42Å; V31-I54 HydrophobicContact CG2-CB 4.45Å; V31-I54 HydrophobicContact CG2-CG1 4.09Å; V31-I54 HydrophobicContact CG2-CG2 4.08Å; V31-A57 HydrophobicContact CB-CB 3.95Å; V31-A57 HydrophobicContact CG1-CB 3.9Å
32K98.7Very high97.2Very high88 Ų8836.9 Ų36.938%0.38321%0.211SC..Hα-helixtrans-56-50177.1-72.2171.3-177.9-177.30110.8G28 V29 A34 L35 E36 A57 S61G28-K32 WeakPolarHBondContact O-CG 3.27Å; G28-K32 PolarHBondContact O-N 2.87Å; G28-K32 VanDerWaalsContact O-N 3.12Å; V29-K32 PolarHBondContact O-N 3.45Å; K32-A34 PolarHBondContact O-N 3.4Å; K32-L35 PolarHBondContact O-N 3.31Å; K32-E36 WeakPolarHBondContact O-CB 3.41Å; K32-E36 VanDerWaalsContact O-CG 3.31Å; K32-E36 WeakPolarHBondContact O-CG 3.31Å; K32-E36 PolarHBondContact O-N 2.85Å; K32-A57 HydrophobicContact CG-CB 4.24Å; K32-S61 WeakPolarHBondContact CG-OG 3.48Å
33K98.7Very high97.6Very high45 Ų4536.5 Ų36.520%0.19621%0.209CC..Hα-helixtrans-62.3-42.4-179.9-176.556.5179.5173.50112.5V29 A30 V31 E36 V37 P261 I264 E265V29-K33 WeakPolarHBondContact O-CB 3.34Å; V29-K33 PolarHBondContact O-N 3.12Å; A30-K33 PolarHBondContact O-N 2.78Å; V31-K33 VanDerWaalsContact C-N 3.32Å; V31-K33 PolarHBondContact O-N 3.17Å; K33-E36 WeakPolarHBondContact O-CB 3.46Å; K33-E36 PolarHBondContact O-N 3.46Å; K33-V37 HydrophobicContact CD-CG2 4.13Å; K33-V37 HydrophobicContact CG-CG2 4.41Å; K33-V37 WeakPolarHBondContact O-CB 3.38Å; K33-V37 WeakPolarHBondContact O-CG2 3.43Å; K33-V37 PolarHBondContact O-N 3.24Å; K33-P261 HydrophobicContact CD-CB 4.34Å; K33-P261 HydrophobicContact CG-CB 3.97Å; K33-I264 HydrophobicContact CB-CD1 4.29Å; K33-I264 HydrophobicContact CG-CD1 4.32Å; K33-I264 HydrophobicContact CG-CG2 4.46Å; K33-E265 WeakPolarHBondContact CE-OE1 3.37Å; K33-E265 IonicContact NZ-OE1 3.64Å; K33-E265 PolarHBondContact NZ-OE1 3.08Å
34A98.8Very high97.9Very high0 Ų034.1 Ų34.10%019%0.193CC..Hα-helixtrans-61.7-46177.600000111.2L17 A30 V31 K32 E36 V37 G38 Y39 I264L17-A34 HydrophobicContact CB-CB 4.28Å; L17-A34 HydrophobicContact CD1-CB 4.35Å; L17-A34 HydrophobicContact CD2-CB 3.84Å; L17-A34 HydrophobicContact CG-CB 4.38Å; A30-A34 VanDerWaalsContact O-CB 3.27Å; A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 2.9Å; V31-A34 PolarHBondContact O-N 2.88Å; K32-A34 PolarHBondContact O-N 3.4Å; A34-E36 PolarHBondContact O-N 3.1Å; A34-V37 PolarHBondContact O-N 3.5Å; A34-G38 PolarHBondContact O-N 3.41Å; A34-Y39 HydrophobicContact CB-CD2 3.76Å; A34-Y39 HydrophobicContact CB-CE2 4.42Å; A34-Y39 HydrophobicContact CB-CG 3.83Å; A34-Y39 VanDerWaalsContact O-CB 3.3Å; A34-Y39 WeakPolarHBondContact O-CB 3.27Å; A34-Y39 WeakPolarHBondContact O-CD2 3.35Å; A34-Y39 PolarHBondContact O-N 3.35Å; A34-I264 HydrophobicContact CB-CG2 3.9Å
35L98.8Very high98.2Very high0 Ų028.3 Ų28.30%016%0.155CC..Hα-helixtrans-64.7-38.7178.4-66.1174.6000112.1V31 K32 G38 Y39 R40 L58 L65 V72V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 3.35Å; K32-L35 PolarHBondContact O-N 3.31Å; L35-G38 PolarHBondContact O-N 3.43Å; L35-Y39 VanDerWaalsContact CD2-O 3.27Å; L35-Y39 WeakPolarHBondContact CD2-O 3.44Å; L35-R40 PolarHBondContact O-NH1 2.94Å; L35-L58 HydrophobicContact CD1-CD1 3.84Å; L35-L65 HydrophobicContact CB-CD1 3.74Å; L35-V72 HydrophobicContact CD2-CG1 4.08Å; L35-V72 HydrophobicContact CD2-CG2 3.96Å
36E98.5Very high98.4Very high110 Ų11028.4 Ų28.451%0.51414%0.141SC..Hα-helixtrans-59.9-45.9172.6-76.4167.2-170.800112.2K32 K33 A34 G38 L65K32-E36 WeakPolarHBondContact O-CB 3.41Å; K32-E36 VanDerWaalsContact O-CG 3.31Å; K32-E36 WeakPolarHBondContact O-CG 3.31Å; K32-E36 PolarHBondContact O-N 2.85Å; K33-E36 WeakPolarHBondContact O-CB 3.46Å; K33-E36 PolarHBondContact O-N 3.46Å; A34-E36 PolarHBondContact O-N 3.1Å; E36-G38 PolarHBondContact O-N 3.05Å; E36-L65 HydrophobicContact CG-CD1 4.19Å; E36-L65 HydrophobicContact CG-CD2 3.97Å
37V98.2Very high98.5Very high37 Ų3725.1 Ų25.122%0.22413%0.126CC..Hα-helixtrans-65.6-30179.2167.70000111.9K33 A34 Y39 E265 F268K33-V37 HydrophobicContact CD-CG2 4.13Å; K33-V37 HydrophobicContact CG-CG2 4.41Å; K33-V37 WeakPolarHBondContact O-CB 3.38Å; K33-V37 WeakPolarHBondContact O-CG2 3.43Å; K33-V37 PolarHBondContact O-N 3.24Å; A34-V37 PolarHBondContact O-N 3.5Å; V37-Y39 HydrophobicContact CG1-CD2 4.41Å; V37-Y39 HydrophobicContact CG1-CE2 4.41Å; V37-E265 HydrophobicContact CG1-CG 4.5Å; V37-E265 HydrophobicContact CG2-CG 3.49Å; V37-E265 VanDerWaalsContact CG2-CG 3.49Å; V37-F268 HydrophobicContact CG1-CB 3.65Å; V37-F268 HydrophobicContact CG1-CD1 3.57Å; V37-F268 HydrophobicContact CG1-CD2 4.39Å; V37-F268 HydrophobicContact CG1-CE1 4.31Å; V37-F268 HydrophobicContact CG1-CG 3.61Å; V37-F268 WeakPolarHBondContact O-CE1 3.49Å
38G98.1Very high98.5Very high17 Ų1727.1 Ų27.118%0.17513%0.134CC..THydrogen-bonded Turntrans129.92.1175.700000114.8M1 A34 L35 E36 R40M1-G38 WeakPolarHBondContact CE-O 3.4Å; A34-G38 PolarHBondContact O-N 3.41Å; L35-G38 PolarHBondContact O-N 3.43Å; E36-G38 PolarHBondContact O-N 3.05Å; G38-R40 PolarHBondContact O-NH1 3.5Å
39Y98.7Very high98.5Very high1 Ų135.8 Ų35.80%0.00417%0.165CC..  trans-55.5141.2171.8-76.1-108.1000110.3I15 L17 A34 L35 V37 I264 F268I15-Y39 HydrophobicContact CD1-CE1 3.86Å; I15-Y39 WeakPolarHBondContact CD1-OH 3.31Å; I15-Y39 HydrophobicContact CG1-CD1 4.37Å; I15-Y39 HydrophobicContact CG1-CE1 3.62Å; L17-Y39 HydrophobicContact CB-CD1 4.28Å; A34-Y39 HydrophobicContact CB-CD2 3.76Å; A34-Y39 HydrophobicContact CB-CE2 4.42Å; A34-Y39 HydrophobicContact CB-CG 3.83Å; A34-Y39 VanDerWaalsContact O-CB 3.3Å; A34-Y39 WeakPolarHBondContact O-CB 3.27Å; A34-Y39 WeakPolarHBondContact O-CD2 3.35Å; A34-Y39 PolarHBondContact O-N 3.35Å; L35-Y39 VanDerWaalsContact CD2-O 3.27Å; L35-Y39 WeakPolarHBondContact CD2-O 3.44Å; V37-Y39 HydrophobicContact CG1-CD2 4.41Å; V37-Y39 HydrophobicContact CG1-CE2 4.41Å; Y39-I264 HydrophobicContact CD2-CG2 4.28Å; Y39-I264 HydrophobicContact CE2-CG2 3.75Å; Y39-I264 PolarHBondContact OH-O 3.39Å; Y39-F268 AromaticContact CD2-CD2 3.6Å; Y39-F268 HydrophobicContact CD2-CD2 3.6Å; Y39-F268 HydrophobicContact CD2-CE2 4.11Å; Y39-F268 HydrophobicContact CD2-CG 4.27Å; Y39-F268 HydrophobicContact CE2-CB 3.73Å; Y39-F268 AromaticContact CE2-CD2 3.47Å; Y39-F268 HydrophobicContact CE2-CD2 3.47Å; Y39-F268 VanDerWaalsContact CE2-CD2 3.47Å; Y39-F268 HydrophobicContact CE2-CE2 4.4Å; Y39-F268 AromaticContact CE2-CG 3.94Å; Y39-F268 HydrophobicContact CE2-CG 3.94Å; Y39-F268 HydrophobicContact CG-CD2 4.2Å; Y39-F268 HydrophobicContact CG-CE2 4.4Å; Y39-F268 AromaticContact CZ-CD2 3.96Å
40R98.5Very high98.5Very high63 Ų6332.4 Ų32.424%0.23814%0.144CC..  trans-133.920.8175.9-64.7-62.1179-92.41.5111.4M1 P13 L35 G38 D71 V72 F73M1-R40 HydrophobicContact CE-CB 4.32Å; M1-R40 HydrophobicContact CE-CG 4.45Å; M1-R40 HydrophobicContact SD-CB 3.82Å; M1-R40 HydrophobicContact SD-CG 4.28Å; P13-R40 HydrophobicContact CG-CB 4.45Å; L35-R40 PolarHBondContact O-NH1 2.94Å; G38-R40 PolarHBondContact O-NH1 3.5Å; R40-D71 WeakPolarHBondContact CB-O 3.29Å; R40-D71 VanDerWaalsContact CD-O 3.31Å; R40-D71 WeakPolarHBondContact CD-O 3.23Å; R40-V72 CarbonylContact O-C 3.51Å; R40-F73 WeakPolarHBondContact O-CB 3.48Å; R40-F73 PolarHBondContact O-N 3.35Å
41H98.9Very high98.5Very high0 Ų032.5 Ų32.50%014%0.144CC..EExtended strand (participates in β ladder)trans-139.6124.9176.3177.9-168.5000109.4P13 G16 L17 F73 T75P13-H41 HydrophobicContact CB-CB 3.96Å; P13-H41 HydrophobicContact CG-CB 3.99Å; P13-H41 PolarHBondContact O-ND1 3.12Å; G16-H41 CarbonylContact C-O 3.59Å; G16-H41 WeakPolarHBondContact CA-O 3.5Å; L17-H41 PolarHBondContact N-O 3.42Å; H41-F73 CarbonylContact C-O 3.51Å; H41-F73 VanDerWaalsContact CA-O 3.22Å; H41-F73 WeakPolarHBondContact CA-O 3.44Å; H41-F73 HydrophobicContact CB-CB 4.27Å; H41-F73 AromaticContact CD2-CD1 3.67Å; H41-F73 AromaticContact NE2-CD1 3.87Å; H41-T75 PolarHBondContact NE2-OG1 2.89Å
42L98.9Very high98.5Very high0 Ų035.1 Ų35.10%017%0.166CC..EExtended strand (participates in β ladder)trans-114.7122.4174.2-57179.2000109.2L17 V31 I54 L58 V72 F73 T75L17-L42 HydrophobicContact CB-CD2 4.06Å; L17-L42 HydrophobicContact CD2-CD2 4.32Å; V31-L42 HydrophobicContact CG1-CD1 3.93Å; V31-L42 HydrophobicContact CG1-CD2 4.31Å; V31-L42 HydrophobicContact CG2-CD2 4.42Å; L42-I54 HydrophobicContact CD1-CG2 4.22Å; L42-L58 HydrophobicContact CD1-CD1 4.17Å; L42-L58 HydrophobicContact CD1-CD2 4.35Å; L42-V72 HydrophobicContact CD1-CG1 4.24Å; L42-V72 HydrophobicContact CG-CG1 4.15Å; L42-F73 PolarHBondContact N-O 3.47Å; L42-T75 PolarHBondContact O-N 2.89Å
43D98.9Very high98.5Very high4 Ų433.5 Ų33.52%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-101107.2176.1-178-94.9000110.3L17 T19 T75 K77 Q181 V255L17-D43 PolarHBondContact O-N 3.37Å; T19-D43 WeakPolarHBondContact CB-O 3.47Å; T19-D43 WeakPolarHBondContact CG2-O 3.39Å; T19-D43 PolarHBondContact N-O 3.23Å; T19-D43 PolarHBondContact OG1-O 3.16Å; D43-T75 WeakPolarHBondContact OD2-CG2 3.43Å; D43-K77 VanDerWaalsContact CG-NZ 3.3Å; D43-K77 IonicContact OD1-NZ 3.01Å; D43-K77 PolarHBondContact OD1-NZ 3.42Å; D43-K77 IonicContact OD2-NZ 2.61Å; D43-K77 PolarHBondContact OD2-NZ 2.91Å; D43-Q181 PolarHBondContact OD2-NE2 3.43Å; D43-V255 HydrophobicContact CB-CB 4Å; D43-V255 HydrophobicContact CB-CG1 3.65Å; D43-V255 HydrophobicContact CB-CG2 4.49Å
44C98.8Very high98.5Very high0 Ų031.4 Ų31.40%015%0.151CC..  trans-109.3173.2-178.2-49.70000110.4T19 E51 T75 S76 K77T19-C44 WeakPolarHBondContact OG1-CA 3.44Å; C44-E51 HydrophobicContact CB-CG 4.48Å; C44-T75 WeakPolarHBondContact CA-O 3.47Å; C44-T75 VanDerWaalsContact CB-O 3.25Å; C44-T75 WeakPolarHBondContact CB-O 3.3Å; C44-T75 PolarHBondContact N-O 3.48Å; C44-S76 WeakPolarHBondContact O-CA 3.49Å; C44-K77 PolarHBondContact O-NZ 3.48Å
45A98.8Very high98.5Very high0 Ų031.4 Ų31.40%015%0.151CC..  trans-159145.3163.200000109.4V47 Y48 S76 K77 H110A45-V47 HydrophobicContact CB-CG1 4.33Å; A45-V47 PolarHBondContact O-N 3.2Å; A45-Y48 HydrophobicContact CB-CD1 3.86Å; A45-Y48 HydrophobicContact CB-CD2 3.73Å; A45-Y48 HydrophobicContact CB-CE1 3.69Å; A45-Y48 HydrophobicContact CB-CE2 3.55Å; A45-Y48 HydrophobicContact CB-CG 3.87Å; A45-Y48 WeakPolarHBondContact O-CB 3.45Å; A45-Y48 PolarHBondContact O-N 2.91Å; A45-S76 WeakPolarHBondContact CA-OG 3.48Å; A45-K77 HydrophobicContact CB-CB 3.99Å; A45-K77 HydrophobicContact CB-CD 3.88Å; A45-K77 HydrophobicContact CB-CG 3.86Å; A45-H110 VanDerWaalsContact CB-CE1 3.44Å; A45-H110 WeakPolarHBondContact CB-CE1 3.22Å
46Y98.5Very high98.5Very high52 Ų5232.1 Ų32.120%0.20416%0.158CC..G310 helixtrans-50.8-44.4177.6-178.9-101.2000112.8Y48 R49 E51 W79 F82 E94 L121Y46-Y48 PolarHBondContact O-N 2.89Å; Y46-Y48 VanDerWaalsContact O-N 3.13Å; Y46-R49 PolarHBondContact O-N 2.93Å; Y46-E51 PolarHBondContact N-OE1 2.87Å; Y46-W79 HydrophobicContact CD1-CB 3.91Å; Y46-F82 HydrophobicContact CD1-CE2 4.07Å; Y46-F82 AromaticContact CE1-CE2 3.56Å; Y46-F82 HydrophobicContact CE1-CE2 3.56Å; Y46-F82 AromaticContact CE1-CZ 3.97Å; Y46-F82 HydrophobicContact CE1-CZ 3.97Å; Y46-E94 HydrophobicContact CE2-CB 4.44Å; Y46-E94 HydrophobicContact CE2-CG 4.06Å; Y46-L121 HydrophobicContact CD1-CD2 4.36Å; Y46-L121 HydrophobicContact CE1-CD1 4.41Å; Y46-L121 HydrophobicContact CE1-CD2 3.69Å
47V98Very high98.5Very high19 Ų1927.1 Ų27.112%0.11514%0.136CC..G310 helixtrans-65.8-16.9-17877.80000114.2A45 R49 W79 H110 L121 F122A45-V47 HydrophobicContact CB-CG1 4.33Å; A45-V47 PolarHBondContact O-N 3.2Å; V47-R49 PolarHBondContact O-N 3.24Å; V47-W79 HydrophobicContact CB-CD2 3.53Å; V47-W79 HydrophobicContact CB-CE3 3.49Å; V47-W79 VanDerWaalsContact CB-CE3 3.49Å; V47-W79 HydrophobicContact CB-CG 4.08Å; V47-W79 HydrophobicContact CB-CH2 4.19Å; V47-W79 HydrophobicContact CB-CZ2 4.26Å; V47-W79 HydrophobicContact CB-CZ3 3.83Å; V47-W79 HydrophobicContact CG1-CD2 4.22Å; V47-W79 HydrophobicContact CG1-CE3 3.65Å; V47-W79 HydrophobicContact CG1-CH2 4.14Å; V47-W79 HydrophobicContact CG1-CZ3 3.59Å; V47-W79 HydrophobicContact CG2-CD2 3.62Å; V47-W79 VanDerWaalsContact CG2-CE2 3.42Å; V47-W79 HydrophobicContact CG2-CE3 3.87Å; V47-W79 HydrophobicContact CG2-CG 4.29Å; V47-W79 HydrophobicContact CG2-CH2 3.74Å; V47-W79 HydrophobicContact CG2-CZ2 3.51Å; V47-W79 HydrophobicContact CG2-CZ3 3.92Å; V47-H110 VanDerWaalsContact CG1-CE1 3.43Å; V47-H110 WeakPolarHBondContact CG1-CE1 3.33Å; V47-L121 HydrophobicContact CG2-CD1 4.16Å; V47-F122 HydrophobicContact CG2-CE2 3.7Å; V47-F122 HydrophobicContact CG2-CZ 3.51Å
48Y97.9Very high98.5Very high42 Ų4225.4 Ų25.417%0.16513%0.125CC..G310 helixtrans-73.7-12.8179.8-58.3-11.7000112.2W20 A45 Y46 N50 K77 H110W20-Y48 HydrophobicContact CB-CD1 4.24Å; W20-Y48 HydrophobicContact CB-CD2 4.04Å; W20-Y48 HydrophobicContact CB-CE1 3.86Å; W20-Y48 HydrophobicContact CB-CE2 3.65Å; W20-Y48 HydrophobicContact CB-CG 4.34Å; W20-Y48 AromaticContact CD1-CD1 3.31Å; W20-Y48 AromaticContact CD1-CE1 3.25Å; W20-Y48 AromaticContact CD1-CZ 3.92Å; W20-Y48 HydrophobicContact CG-CD1 4.11Å; W20-Y48 AromaticContact CG-CE1 3.76Å; W20-Y48 HydrophobicContact CG-CE1 3.76Å; W20-Y48 HydrophobicContact CG-CE2 4.44Å; W20-Y48 AromaticContact CG-CZ 3.96Å; A45-Y48 HydrophobicContact CB-CD1 3.86Å; A45-Y48 HydrophobicContact CB-CD2 3.73Å; A45-Y48 HydrophobicContact CB-CE1 3.69Å; A45-Y48 HydrophobicContact CB-CE2 3.55Å; A45-Y48 HydrophobicContact CB-CG 3.87Å; A45-Y48 WeakPolarHBondContact O-CB 3.45Å; A45-Y48 PolarHBondContact O-N 2.91Å; Y46-Y48 PolarHBondContact O-N 2.89Å; Y46-Y48 VanDerWaalsContact O-N 3.13Å; Y48-N50 VanDerWaalsContact CB-OD1 3.28Å; Y48-N50 WeakPolarHBondContact CB-OD1 2.91Å; Y48-N50 PolarHBondContact O-N 3.34Å; Y48-N50 VanDerWaalsContact O-N 3.08Å; Y48-K77 PolarHBondContact OH-NZ 3.15Å; Y48-H110 AromaticContact CE1-CE1 3.81Å
49R97.2Very high98.6Very high189 Ų18928 Ų2871%0.71313%0.133SC*.SBendtrans55.624.9175.8-63.2-174169.9-146.3-4.8114.3Y46 V47 L121Y46-R49 PolarHBondContact O-N 2.93Å; V47-R49 PolarHBondContact O-N 3.24Å; R49-L121 HydrophobicContact CG-CD1 4.36Å
50N98.1Very high98.5Very high11 Ų1131 Ų316%0.05915%0.153CC..  trans-127.77.4-17765.42.6000113.3T19 V27 Y48 A52 E53 I54T19-N50 PolarHBondContact O-ND2 3.38Å; V27-N50 HydrophobicContact CG1-CB 4.14Å; Y48-N50 VanDerWaalsContact CB-OD1 3.28Å; Y48-N50 WeakPolarHBondContact CB-OD1 2.91Å; Y48-N50 PolarHBondContact O-N 3.34Å; Y48-N50 VanDerWaalsContact O-N 3.08Å; N50-A52 VanDerWaalsContact C-N 3.3Å; N50-A52 PolarHBondContact O-N 3.48Å; N50-E53 PolarHBondContact O-N 3.44Å; N50-I54 WeakPolarHBondContact O-CG1 3.3Å; N50-I54 PolarHBondContact O-N 3.05Å; N50-I54 VanDerWaalsContact O-N 3.13Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.35Å
51E98.8Very high98.6Very high4 Ų428.1 Ų28.12%0.01914%0.143CC..Hα-helixtrans-57.9-38178.2-69.3-170139.200112.9C44 Y46 E53 I54 G55 S76 T95 N98 L99C44-E51 HydrophobicContact CB-CG 4.48Å; Y46-E51 PolarHBondContact N-OE1 2.87Å; E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3.3Å; E51-I54 PolarHBondContact O-N 3.3Å; E51-G55 PolarHBondContact O-N 2.88Å; E51-S76 PolarHBondContact OE1-OG 3.2Å; E51-T95 VanDerWaalsContact OE1-CG2 3.27Å; E51-T95 WeakPolarHBondContact OE1-CG2 3.46Å; E51-T95 PolarHBondContact OE1-OG1 2.93Å; E51-T95 WeakPolarHBondContact OE2-CA 3.27Å; E51-T95 PolarHBondContact OE2-OG1 3.42Å; E51-N98 HydrophobicContact CB-CB 3.69Å; E51-L99 HydrophobicContact CB-CD2 3.89Å; E51-L99 HydrophobicContact CB-CG 3.99Å; E51-L99 HydrophobicContact CG-CD2 4.18Å; E51-L99 HydrophobicContact CG-CG 4.3Å; E51-L99 WeakPolarHBondContact O-CD2 3.38Å
52A98.7Very high98.5Very high56 Ų5629.5 Ų29.546%0.46315%0.15SC..Hα-helixtrans-60.8-41.3178.600000113.1N50 G56 N98N50-A52 VanDerWaalsContact C-N 3.3Å; N50-A52 PolarHBondContact O-N 3.48Å; A52-G56 PolarHBondContact O-N 2.84Å; A52-N98 VanDerWaalsContact CA-O 3.31Å; A52-N98 WeakPolarHBondContact CA-O 3.33Å
53E98.6Very high98.5Very high54 Ų5436.4 Ų36.425%0.25218%0.18SC..Hα-helixtrans-71.7-41.9178.1-171.4179.314900111.2P24 G25 V27 G28 N50 E51 G55 G56 A57P24-E53 WeakPolarHBondContact CA-OE2 3.42Å; G25-E53 VanDerWaalsContact C-OE1 3.27Å; G25-E53 WeakPolarHBondContact CA-OE1 3.37Å; G25-E53 VanDerWaalsContact N-CD 3.3Å; G25-E53 PolarHBondContact N-OE1 3.41Å; G25-E53 PolarHBondContact N-OE2 3.42Å; V27-E53 HydrophobicContact CG1-CB 3.83Å; V27-E53 HydrophobicContact CG1-CG 3.74Å; V27-E53 WeakPolarHBondContact CG1-OE1 3.47Å; V27-E53 PolarHBondContact N-OE1 2.94Å; G28-E53 PolarHBondContact N-OE1 2.62Å; N50-E53 PolarHBondContact O-N 3.44Å; E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3.3Å; E53-G55 VanDerWaalsContact C-N 3.31Å; E53-G55 PolarHBondContact O-N 2.91Å; E53-G56 PolarHBondContact O-N 3.44Å; E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.27Å
54I98.8Very high98.5Very high0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-59.2-43.4174.4-65.7161.5000110.5T19 V27 V31 L42 N50 E51 A57 L58 L99T19-I54 HydrophobicContact CG2-CD1 3.76Å; T19-I54 HydrophobicContact CG2-CG1 4.43Å; V27-I54 HydrophobicContact CG1-CG1 4.27Å; V27-I54 HydrophobicContact CG2-CD1 4.04Å; V27-I54 HydrophobicContact CG2-CG1 3.71Å; V31-I54 HydrophobicContact CG2-CB 4.45Å; V31-I54 HydrophobicContact CG2-CG1 4.09Å; V31-I54 HydrophobicContact CG2-CG2 4.08Å; L42-I54 HydrophobicContact CD1-CG2 4.22Å; N50-I54 WeakPolarHBondContact O-CG1 3.3Å; N50-I54 PolarHBondContact O-N 3.05Å; N50-I54 VanDerWaalsContact O-N 3.13Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.35Å; E51-I54 PolarHBondContact O-N 3.3Å; I54-A57 PolarHBondContact O-N 3.32Å; I54-L58 VanDerWaalsContact O-CB 3.3Å; I54-L58 WeakPolarHBondContact O-CB 3.49Å; I54-L58 PolarHBondContact O-N 2.83Å; I54-L99 HydrophobicContact CB-CD2 4.04Å; I54-L99 HydrophobicContact CG2-CD2 3.8Å
55G98.8Very high98.5Very high0 Ų043.1 Ų43.10%022%0.223CC..Hα-helixtrans-61.1-45.6178.700000113E51 E53 L58 E59 L99E51-G55 PolarHBondContact O-N 2.88Å; E53-G55 VanDerWaalsContact C-N 3.31Å; E53-G55 PolarHBondContact O-N 2.91Å; G55-L58 PolarHBondContact O-N 3.48Å; G55-E59 WeakPolarHBondContact O-CB 3.4Å; G55-E59 PolarHBondContact O-N 3.32Å; G55-L99 WeakPolarHBondContact CA-O 3.48Å
56G98.7Very high98.4Very high15 Ų1550.4 Ų50.416%0.15526%0.261CS..Hα-helixtrans-63.2-41.1174.200000112.9A52 E53 C60A52-G56 PolarHBondContact O-N 2.84Å; E53-G56 PolarHBondContact O-N 3.44Å; G56-C60 PolarHBondContact O-N 3.38Å; G56-C60 VanDerWaalsContact O-N 3.16Å; G56-C60 PolarHBondContact O-SG 3.27Å; G56-C60 VanDerWaalsContact O-SG 3.33Å
57A98.7Very high98.4Very high5 Ų549.2 Ų49.24%0.04126%0.259CS..Hα-helixtrans-67.3-41.9177.700000112.7G28 V31 K32 E53 I54 S61G28-A57 WeakPolarHBondContact O-CB 3.4Å; V31-A57 HydrophobicContact CB-CB 3.95Å; V31-A57 HydrophobicContact CG1-CB 3.9Å; K32-A57 HydrophobicContact CG-CB 4.24Å; E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.27Å; I54-A57 PolarHBondContact O-N 3.32Å; A57-S61 WeakPolarHBondContact O-CB 3.43Å; A57-S61 PolarHBondContact O-N 2.99Å; A57-S61 PolarHBondContact O-OG 2.84Å
58L98.9Very high98.4Very high1 Ų154.6 Ų54.61%0.00528%0.28CS..Hα-helixtrans-62.2-51175.717659000110.6L35 L42 I54 G55 C60 S61 L62 V72 V74 L101L35-L58 HydrophobicContact CD1-CD1 3.84Å; L42-L58 HydrophobicContact CD1-CD1 4.17Å; L42-L58 HydrophobicContact CD1-CD2 4.35Å; I54-L58 VanDerWaalsContact O-CB 3.3Å; I54-L58 WeakPolarHBondContact O-CB 3.49Å; I54-L58 PolarHBondContact O-N 2.83Å; G55-L58 PolarHBondContact O-N 3.48Å; L58-C60 VanDerWaalsContact C-N 3.3Å; L58-C60 PolarHBondContact O-N 2.93Å; L58-S61 PolarHBondContact O-N 3.42Å; L58-L62 HydrophobicContact CD1-CD1 4.31Å; L58-L62 HydrophobicContact CD1-CD2 4.03Å; L58-L62 HydrophobicContact CD1-CG 3.93Å; L58-L62 HydrophobicContact CG-CD1 4.26Å; L58-L62 HydrophobicContact CG-CG 4.29Å; L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.42Å; L58-V72 HydrophobicContact CD1-CB 4.27Å; L58-V72 HydrophobicContact CD1-CG1 4.01Å; L58-V72 HydrophobicContact CD1-CG2 4.2Å; L58-V74 HydrophobicContact CD2-CG2 3.98Å; L58-L101 HydrophobicContact CD2-CD1 4.43Å; L58-L101 HydrophobicContact CD2-CD2 3.91Å
59E98.6Very high98.5Very high71 Ų7154.2 Ų54.233%0.33228%0.279SS..Hα-helixtrans-54.7-46178.5-177.2-175.7-166.100112.1G55 K63 R100G55-E59 WeakPolarHBondContact O-CB 3.4Å; G55-E59 PolarHBondContact O-N 3.32Å; E59-K63 PolarHBondContact O-N 3.42Å; E59-K63 IonicContact OE1-NZ 3.8Å; E59-K63 PolarHBondContact OE1-NZ 3.31Å; E59-R100 IonicContact OE2-CZ 2.89Å; E59-R100 IonicContact OE2-NH1 3.67Å; E59-R100 PolarHBondContact OE2-NH1 2.69Å
60C98.5Very high98.5Very high65 Ų6550.9 Ų50.944%0.43927%0.271SS..Hα-helixtrans-62.1-44.8175.8-73.40000111.9G56 L58 K63 S64G56-C60 PolarHBondContact O-N 3.38Å; G56-C60 VanDerWaalsContact O-N 3.16Å; G56-C60 PolarHBondContact O-SG 3.27Å; G56-C60 VanDerWaalsContact O-SG 3.33Å; L58-C60 VanDerWaalsContact C-N 3.3Å; L58-C60 PolarHBondContact O-N 2.93Å; C60-K63 PolarHBondContact O-N 2.95Å; C60-S64 PolarHBondContact O-N 3.08Å; C60-S64 PolarHBondContact O-OG 3.48Å
61S98.7Very high98.5Very high2 Ų253.9 Ų53.91%0.01429%0.287CS..Hα-helixtrans-68.1-36.6-177.4-55.60000112.6K32 A57 L58 K63 S64 L65K32-S61 WeakPolarHBondContact CG-OG 3.48Å; A57-S61 WeakPolarHBondContact O-CB 3.43Å; A57-S61 PolarHBondContact O-N 2.99Å; A57-S61 PolarHBondContact O-OG 2.84Å; L58-S61 PolarHBondContact O-N 3.42Å; S61-K63 VanDerWaalsContact C-N 3.28Å; S61-K63 PolarHBondContact O-N 2.75Å; S61-S64 WeakPolarHBondContact CA-OG 3.46Å; S61-S64 PolarHBondContact O-N 3.36Å; S61-S64 PolarHBondContact O-OG 3.27Å; S61-L65 VanDerWaalsContact O-CB 3.25Å; S61-L65 WeakPolarHBondContact O-CB 3.18Å; S61-L65 WeakPolarHBondContact O-CG 3.17Å; S61-L65 PolarHBondContact O-N 3.28Å
62L98.7Very high98.5Very high29 Ų2953.7 Ų53.715%0.15229%0.286CS..Hα-helixtrans-58.1-44.8174.7-69.7-179.5000110.5L58 N66 L67 K68 V72L58-L62 HydrophobicContact CD1-CD1 4.31Å; L58-L62 HydrophobicContact CD1-CD2 4.03Å; L58-L62 HydrophobicContact CD1-CG 3.93Å; L58-L62 HydrophobicContact CG-CD1 4.26Å; L58-L62 HydrophobicContact CG-CG 4.29Å; L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.42Å; L62-N66 WeakPolarHBondContact O-CA 3.45Å; L62-N66 PolarHBondContact O-N 2.91Å; L62-L67 HydrophobicContact CD2-CB 3.69Å; L62-L67 PolarHBondContact O-N 2.82Å; L62-L67 VanDerWaalsContact O-O 3.14Å; L62-K68 WeakPolarHBondContact CD2-O 3.48Å; L62-V72 HydrophobicContact CD2-CG2 3.87Å
63K98.1Very high98.5Very high145 Ų14551.5 Ų51.563%0.6327%0.266SS*.Hα-helixtrans-68.3-49.6177.4-65171.2-170.5165.50111.8E59 C60 S61 L65 N66E59-K63 PolarHBondContact O-N 3.42Å; E59-K63 IonicContact OE1-NZ 3.8Å; E59-K63 PolarHBondContact OE1-NZ 3.31Å; C60-K63 PolarHBondContact O-N 2.95Å; S61-K63 VanDerWaalsContact C-N 3.28Å; S61-K63 PolarHBondContact O-N 2.75Å; K63-L65 PolarHBondContact O-N 2.86Å; K63-N66 PolarHBondContact O-N 3.02Å
64S98.2Very high98.5Very high88 Ų8849 Ų4962%0.61526%0.255SS*.Hα-helixtrans-72-29.4-173.365.50000113.9C60 S61C60-S64 PolarHBondContact O-N 3.08Å; C60-S64 PolarHBondContact O-OG 3.48Å; S61-S64 WeakPolarHBondContact CA-OG 3.46Å; S61-S64 PolarHBondContact O-N 3.36Å; S61-S64 PolarHBondContact O-OG 3.27Å
65L98.4Very high98.5Very high58 Ų5849 Ų4930%0.30426%0.255SS..THydrogen-bonded Turntrans-100.26.5-179.9-56174.1000112.8L35 E36 S61 K63 L67L35-L65 HydrophobicContact CB-CD1 3.74Å; E36-L65 HydrophobicContact CG-CD1 4.19Å; E36-L65 HydrophobicContact CG-CD2 3.97Å; S61-L65 VanDerWaalsContact O-CB 3.25Å; S61-L65 WeakPolarHBondContact O-CB 3.18Å; S61-L65 WeakPolarHBondContact O-CG 3.17Å; S61-L65 PolarHBondContact O-N 3.28Å; K63-L65 PolarHBondContact O-N 2.86Å; L65-L67 HydrophobicContact CB-CD1 3.96Å; L65-L67 HydrophobicContact CB-CG 3.91Å; L65-L67 HydrophobicContact CD1-CD1 4.17Å; L65-L67 PolarHBondContact O-N 3.48Å
66N98Very high98.5Very high152 Ų15249 Ų4981%0.81326%0.255SS*.THydrogen-bonded Turntrans51.343.2-176.1-167.941.9000112.9L62 K63L62-N66 WeakPolarHBondContact O-CA 3.45Å; L62-N66 PolarHBondContact O-N 2.91Å; K63-N66 PolarHBondContact O-N 3.02Å
67L98.4Very high98.5Very high28 Ų2848.3 Ų48.315%0.14725%0.248CC..  trans-99.1146.5176.3-60.4172.8000110L62 L65 D71 V72L62-L67 HydrophobicContact CD2-CB 3.69Å; L62-L67 PolarHBondContact O-N 2.82Å; L62-L67 VanDerWaalsContact O-O 3.14Å; L65-L67 HydrophobicContact CB-CD1 3.96Å; L65-L67 HydrophobicContact CB-CG 3.91Å; L65-L67 HydrophobicContact CD1-CD1 4.17Å; L65-L67 PolarHBondContact O-N 3.48Å; L67-D71 HydrophobicContact CB-CB 4.39Å; L67-D71 HydrophobicContact CD2-CB 4.33Å; L67-V72 HydrophobicContact CD1-CG2 4.4Å
68K98.4Very high98.6Very high131 Ų13148.1 Ų48.157%0.5725%0.246SC*.  trans-91.4163.2171.3-54.6-177.5-175.8176.10110.4L62 E70 D71L62-K68 WeakPolarHBondContact CD2-O 3.48Å; K68-E70 VanDerWaalsContact CB-CD 3.45Å; K68-E70 HydrophobicContact CB-CG 4.07Å; K68-E70 WeakPolarHBondContact CB-OE2 3.38Å; K68-E70 WeakPolarHBondContact CD-OE1 3.18Å; K68-E70 PolarHBondContact O-N 3.23Å; K68-D71 PolarHBondContact N-OD2 3.21Å; K68-D71 WeakPolarHBondContact O-CB 3.02Å; K68-D71 PolarHBondContact O-N 3.32Å
69R98.3Very high98.5Very high35 Ų3548.3 Ų48.313%0.13225%0.247CC..G310 helixtrans-59.3-39177.817356.7-169.984.3-1.3110.9D71 V72 Y103 D105R69-D71 PolarHBondContact O-N 2.85Å; R69-V72 PolarHBondContact NH1-O 3.26Å; R69-V72 PolarHBondContact O-N 3.2Å; R69-Y103 HydrophobicContact CG-CE1 3.94Å; R69-Y103 PolarHBondContact NH2-O 2.97Å; R69-D105 IonicContact CZ-OD2 3Å; R69-D105 IonicContact NH1-OD2 3.54Å; R69-D105 PolarHBondContact NH1-OD2 2.89Å; R69-D105 IonicContact NH2-OD2 2.84Å; R69-D105 PolarHBondContact NH2-OD2 3.47Å
70E98.1Very high98.6Very high119 Ų11945 Ų4556%0.55623%0.231SC*.G310 helixtrans-66.6-15.317861-94-147.500114.6K68 V72K68-E70 VanDerWaalsContact CB-CD 3.45Å; K68-E70 HydrophobicContact CB-CG 4.07Å; K68-E70 WeakPolarHBondContact CB-OE2 3.38Å; K68-E70 WeakPolarHBondContact CD-OE1 3.18Å; K68-E70 PolarHBondContact O-N 3.23Å; E70-V72 VanDerWaalsContact C-N 3.33Å
71D98.2Very high98.6Very high73 Ų7341.9 Ų41.939%0.3921%0.21SC..G310 helixtrans-78.6-17.6177.8-63.1-39.3000112.7R40 L67 K68 R69R40-D71 WeakPolarHBondContact CB-O 3.29Å; R40-D71 VanDerWaalsContact CD-O 3.31Å; R40-D71 WeakPolarHBondContact CD-O 3.23Å; L67-D71 HydrophobicContact CB-CB 4.39Å; L67-D71 HydrophobicContact CD2-CB 4.33Å; K68-D71 PolarHBondContact N-OD2 3.21Å; K68-D71 WeakPolarHBondContact O-CB 3.02Å; K68-D71 PolarHBondContact O-N 3.32Å; R69-D71 PolarHBondContact O-N 2.85Å
72V98.8Very high98.5Very high0 Ų042.6 Ų42.60%021%0.213CC..SBendtrans-117.3114.7-176.3-175.60000110.2L35 R40 L42 L58 L62 L67 R69 E70 V74L35-V72 HydrophobicContact CD2-CG1 4.08Å; L35-V72 HydrophobicContact CD2-CG2 3.96Å; R40-V72 CarbonylContact O-C 3.51Å; L42-V72 HydrophobicContact CD1-CG1 4.24Å; L42-V72 HydrophobicContact CG-CG1 4.15Å; L58-V72 HydrophobicContact CD1-CB 4.27Å; L58-V72 HydrophobicContact CD1-CG1 4.01Å; L58-V72 HydrophobicContact CD1-CG2 4.2Å; L62-V72 HydrophobicContact CD2-CG2 3.87Å; L67-V72 HydrophobicContact CD1-CG2 4.4Å; R69-V72 PolarHBondContact NH1-O 3.26Å; R69-V72 PolarHBondContact O-N 3.2Å; E70-V72 VanDerWaalsContact C-N 3.33Å; V72-V74 HydrophobicContact CG1-CG2 4.17Å; V72-V74 PolarHBondContact O-N 3.21Å
73F98.9Very high98.5Very high11 Ų1141.3 Ų41.35%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-74.1120.6173.6-163.6-77000110.3M6 S11 I12 P13 R40 H41 L42 T75 D105 L106M6-F73 HydrophobicContact CE-CE2 3.87Å; M6-F73 HydrophobicContact CE-CZ 3.87Å; M6-F73 HydrophobicContact SD-CZ 4.34Å; S11-F73 WeakPolarHBondContact O-CD2 3.3Å; S11-F73 WeakPolarHBondContact O-CE2 3.43Å; I12-F73 HydrophobicContact CB-CD2 4.48Å; I12-F73 HydrophobicContact CB-CE1 4.47Å; I12-F73 HydrophobicContact CB-CE2 3.96Å; I12-F73 HydrophobicContact CB-CZ 3.96Å; I12-F73 HydrophobicContact CD1-CD1 4.47Å; I12-F73 HydrophobicContact CD1-CE1 3.81Å; I12-F73 HydrophobicContact CD1-CZ 3.96Å; I12-F73 HydrophobicContact CG1-CD1 4.17Å; I12-F73 HydrophobicContact CG1-CD2 4.47Å; I12-F73 HydrophobicContact CG1-CE1 3.85Å; I12-F73 HydrophobicContact CG1-CE2 4.17Å; I12-F73 HydrophobicContact CG1-CG 4.47Å; I12-F73 HydrophobicContact CG1-CZ 3.84Å; P13-F73 HydrophobicContact CG-CB 4.01Å; R40-F73 WeakPolarHBondContact O-CB 3.48Å; R40-F73 PolarHBondContact O-N 3.35Å; H41-F73 CarbonylContact C-O 3.51Å; H41-F73 VanDerWaalsContact CA-O 3.22Å; H41-F73 WeakPolarHBondContact CA-O 3.44Å; H41-F73 HydrophobicContact CB-CB 4.27Å; H41-F73 AromaticContact CD2-CD1 3.67Å; H41-F73 AromaticContact NE2-CD1 3.87Å; L42-F73 PolarHBondContact N-O 3.47Å; F73-T75 WeakPolarHBondContact CE1-OG1 3.44Å; F73-D105 HydrophobicContact CB-CB 4.47Å; F73-D105 HydrophobicContact CD1-CB 3.73Å; F73-D105 HydrophobicContact CD2-CB 3.62Å; F73-D105 HydrophobicContact CE1-CB 3.76Å; F73-D105 HydrophobicContact CE2-CB 3.66Å; F73-D105 HydrophobicContact CG-CB 3.66Å; F73-D105 HydrophobicContact CZ-CB 3.73Å; F73-L106 HydrophobicContact CE1-CB 3.54Å; F73-L106 HydrophobicContact CE1-CD2 4.24Å; F73-L106 HydrophobicContact CZ-CB 3.76Å; F73-L106 HydrophobicContact CZ-CD2 4.49Å
74V99Very high98.6Very high1 Ų139.1 Ų39.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-115.3119.5178.9-173.90000110.7L58 V72 L99 L101 L104 D105 L106L58-V74 HydrophobicContact CD2-CG2 3.98Å; V72-V74 HydrophobicContact CG1-CG2 4.17Å; V72-V74 PolarHBondContact O-N 3.21Å; V74-L99 HydrophobicContact CG1-CD1 4.06Å; V74-L101 HydrophobicContact CB-CD1 3.99Å; V74-L101 HydrophobicContact CG1-CD1 3.85Å; V74-L101 HydrophobicContact CG2-CD1 3.98Å; V74-L104 HydrophobicContact CB-CD2 4.48Å; V74-L104 HydrophobicContact CG1-CD2 3.98Å; V74-D105 PolarHBondContact N-OD2 2.85Å; V74-D105 PolarHBondContact O-N 2.8Å; V74-L106 PolarHBondContact O-N 3.12Å
75T99Very high98.6Very high1 Ų136.4 Ų36.41%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-100.7135.4174.2-57.90000109.6H41 L42 D43 C44 F73 L106 L108H41-T75 PolarHBondContact NE2-OG1 2.89Å; L42-T75 PolarHBondContact O-N 2.89Å; D43-T75 WeakPolarHBondContact OD2-CG2 3.43Å; C44-T75 WeakPolarHBondContact CA-O 3.47Å; C44-T75 VanDerWaalsContact CB-O 3.25Å; C44-T75 WeakPolarHBondContact CB-O 3.3Å; C44-T75 PolarHBondContact N-O 3.48Å; F73-T75 WeakPolarHBondContact CE1-OG1 3.44Å; T75-L106 VanDerWaalsContact CA-O 3.3Å; T75-L106 WeakPolarHBondContact CA-O 3.39Å; T75-L106 HydrophobicContact CG2-CB 4.17Å; T75-L106 HydrophobicContact CG2-CD2 3.95Å; T75-L106 HydrophobicContact CG2-CG 4.04Å; T75-L108 HydrophobicContact CG2-CD1 3.93Å; T75-L108 HydrophobicContact CG2-CG 4.19Å
76S98.9Very high98.6Very high0 Ų039.4 Ų39.40%019%0.187CC..EExtended strand (participates in β ladder)trans-139.9-179.2162.7-166.90000111C44 A45 E51 L106 Y107 L108C44-S76 WeakPolarHBondContact O-CA 3.49Å; A45-S76 WeakPolarHBondContact CA-OG 3.48Å; E51-S76 PolarHBondContact OE1-OG 3.2Å; S76-L106 PolarHBondContact N-O 3.42Å; S76-Y107 WeakPolarHBondContact O-CA 3.42Å; S76-Y107 WeakPolarHBondContact O-CD2 3.36Å; S76-L108 PolarHBondContact O-N 3.48Å
77K98.9Very high98.6Very high0 Ų033.4 Ų33.40%015%0.154CC..EExtended strand (participates in β ladder)trans-141.2130.7-165.9-41.4-176.8179.875.20112.9D43 C44 A45 Y48 W79 Y107 L108 H110 Q181D43-K77 VanDerWaalsContact CG-NZ 3.3Å; D43-K77 IonicContact OD1-NZ 3.01Å; D43-K77 PolarHBondContact OD1-NZ 3.42Å; D43-K77 IonicContact OD2-NZ 2.61Å; D43-K77 PolarHBondContact OD2-NZ 2.91Å; C44-K77 PolarHBondContact O-NZ 3.48Å; A45-K77 HydrophobicContact CB-CB 3.99Å; A45-K77 HydrophobicContact CB-CD 3.88Å; A45-K77 HydrophobicContact CB-CG 3.86Å; Y48-K77 PolarHBondContact OH-NZ 3.15Å; K77-W79 PolarHBondContact O-N 3.14Å; K77-Y107 VanDerWaalsContact C-CE2 3.43Å; K77-L108 CarbonylContact C-O 3.51Å; K77-L108 WeakPolarHBondContact CA-O 3.49Å; K77-L108 HydrophobicContact CB-CB 4.38Å; K77-L108 HydrophobicContact CD-CD1 4.49Å; K77-L108 HydrophobicContact CG-CB 4.13Å; K77-L108 HydrophobicContact CG-CD1 4.39Å; K77-H110 HydrophobicContact CB-CB 3.71Å; K77-H110 HydrophobicContact CD-CB 4.39Å; K77-H110 VanDerWaalsContact CD-CD2 3.45Å; K77-H110 WeakPolarHBondContact CD-CD2 3.34Å; K77-Q181 VanDerWaalsContact CE-CD 3.47Å
78L98.9Very high98.7Very high0 Ų032 Ų320%015%0.147CC..EExtended strand (participates in β ladder)trans-65.1116.6170.4-179.271.6000109.3F82 V88 A91 Y107 L108 I109 H110 T140 M144L78-F82 HydrophobicContact CD1-CB 3.67Å; L78-F82 HydrophobicContact CG-CB 4.45Å; L78-V88 HydrophobicContact CD1-CG1 4.42Å; L78-V88 HydrophobicContact CD2-CG1 4.29Å; L78-V88 HydrophobicContact CD2-CG2 4.11Å; L78-A91 HydrophobicContact CD1-CB 3.62Å; L78-Y107 VanDerWaalsContact CA-OH 3.24Å; L78-Y107 WeakPolarHBondContact CA-OH 3.11Å; L78-Y107 HydrophobicContact CB-CE1 3.81Å; L78-Y107 HydrophobicContact CB-CE2 4.43Å; L78-Y107 HydrophobicContact CD1-CE1 4.29Å; L78-Y107 WeakPolarHBondContact CD1-OH 3.47Å; L78-Y107 VanDerWaalsContact N-CE2 3.35Å; L78-L108 PolarHBondContact N-O 2.94Å; L78-I109 HydrophobicContact CD2-CG1 4.42Å; L78-H110 WeakPolarHBondContact O-CB 3.31Å; L78-H110 PolarHBondContact O-N 2.82Å; L78-T140 HydrophobicContact CD2-CG2 3.58Å; L78-M144 HydrophobicContact CB-SD 4.4Å; L78-M144 HydrophobicContact CD2-SD 4Å
79W98.7Very high98.7Very high6 Ų629.6 Ų29.62%0.02313%0.134CC..  trans-78153.6179.9-171-116.2000112.6Y46 V47 K77 T81 F82 H110 W111 F115 L121 F122Y46-W79 HydrophobicContact CD1-CB 3.91Å; V47-W79 HydrophobicContact CB-CD2 3.53Å; V47-W79 HydrophobicContact CB-CE3 3.49Å; V47-W79 VanDerWaalsContact CB-CE3 3.49Å; V47-W79 HydrophobicContact CB-CG 4.08Å; V47-W79 HydrophobicContact CB-CH2 4.19Å; V47-W79 HydrophobicContact CB-CZ2 4.26Å; V47-W79 HydrophobicContact CB-CZ3 3.83Å; V47-W79 HydrophobicContact CG1-CD2 4.22Å; V47-W79 HydrophobicContact CG1-CE3 3.65Å; V47-W79 HydrophobicContact CG1-CH2 4.14Å; V47-W79 HydrophobicContact CG1-CZ3 3.59Å; V47-W79 HydrophobicContact CG2-CD2 3.62Å; V47-W79 VanDerWaalsContact CG2-CE2 3.42Å; V47-W79 HydrophobicContact CG2-CE3 3.87Å; V47-W79 HydrophobicContact CG2-CG 4.29Å; V47-W79 HydrophobicContact CG2-CH2 3.74Å; V47-W79 HydrophobicContact CG2-CZ2 3.51Å; V47-W79 HydrophobicContact CG2-CZ3 3.92Å; K77-W79 PolarHBondContact O-N 3.14Å; W79-T81 PolarHBondContact O-N 3.5Å; W79-T81 VanDerWaalsContact O-N 3.07Å; W79-F82 HydrophobicContact CB-CD2 4.17Å; W79-F82 PolarHBondContact O-N 2.89Å; W79-H110 HydrophobicContact CE3-CB 4.05Å; W79-H110 AromaticContact CE3-CE1 3.99Å; W79-H110 AromaticContact CE3-CG 3.82Å; W79-H110 AromaticContact CE3-ND1 3.28Å; W79-H110 VanDerWaalsContact CE3-ND1 3.28Å; W79-H110 HydrophobicContact CZ3-CB 4.38Å; W79-H110 AromaticContact CZ3-CE1 3.77Å; W79-H110 AromaticContact CZ3-CG 3.85Å; W79-H110 AromaticContact CZ3-ND1 3.45Å; W79-H110 WeakPolarHBondContact CZ3-ND1 3.48Å; W79-W111 AromaticContact CZ3-CD1 3.99Å; W79-F115 HydrophobicContact CZ2-CE2 4.1Å; W79-L121 PolarHBondContact NE1-O 3.28Å; W79-F122 AromaticContact CH2-CE1 3.81Å; W79-F122 HydrophobicContact CH2-CE1 3.81Å; W79-F122 HydrophobicContact CH2-CZ 4.02Å; W79-F122 HydrophobicContact CZ2-CD1 4Å; W79-F122 AromaticContact CZ2-CE1 3.37Å; W79-F122 HydrophobicContact CZ2-CE1 3.37Å; W79-F122 HydrophobicContact CZ2-CE2 4.41Å; W79-F122 AromaticContact CZ2-CZ 3.61Å; W79-F122 HydrophobicContact CZ2-CZ 3.61Å
80N98.7Very high98.7Very high0 Ų031.1 Ų31.10%014%0.141CC..G310 helixtrans-58.2-27-169.5-63.615.9000114.5F82 F83 W111 V113 F115N80-F82 PolarHBondContact O-N 3.2Å; N80-F83 VanDerWaalsContact O-CD2 3.3Å; N80-F83 WeakPolarHBondContact O-CD2 3.4Å; N80-W111 WeakPolarHBondContact ND2-CB 3.35Å; N80-W111 WeakPolarHBondContact OD1-CB 3.41Å; N80-V113 WeakPolarHBondContact CB-O 3.42Å; N80-V113 VanDerWaalsContact CG-O 3.31Å; N80-V113 PolarHBondContact ND2-O 2.89Å; N80-F115 HydrophobicContact CB-CB 4.03Å; N80-F115 HydrophobicContact CB-CD1 3.96Å; N80-F115 HydrophobicContact CB-CD2 3.47Å; N80-F115 VanDerWaalsContact CB-CD2 3.47Å; N80-F115 HydrophobicContact CB-CE1 4.25Å; N80-F115 HydrophobicContact CB-CE2 3.8Å; N80-F115 HydrophobicContact CB-CG 3.54Å; N80-F115 HydrophobicContact CB-CZ 4.18Å; N80-F115 WeakPolarHBondContact ND2-CE1 3.29Å; N80-F115 WeakPolarHBondContact ND2-CE2 3.4Å; N80-F115 WeakPolarHBondContact ND2-CZ 3.21Å; N80-F115 PolarHBondContact O-N 3.17Å
81T98.5Very high98.7Very high1 Ų125.5 Ų25.51%0.00612%0.116CC..G310 helixtrans-74.1-9.2177.854.50000113.3W79 F115 Q116 Y117W79-T81 PolarHBondContact O-N 3.5Å; W79-T81 VanDerWaalsContact O-N 3.07Å; T81-F115 HydrophobicContact CG2-CB 3.86Å; T81-Q116 WeakPolarHBondContact CG2-O 3.47Å; T81-Y117 WeakPolarHBondContact O-CA 3.33Å; T81-Y117 WeakPolarHBondContact O-CB 3.38Å; T81-Y117 VanDerWaalsContact O-CD2 3.27Å; T81-Y117 WeakPolarHBondContact O-CD2 3.26Å
82F98.6Very high98.8Very high16 Ų1622 Ų227%0.0710%0.097CC..G310 helixtrans-11224.4-174.2-61.3-91.5000113.5Y46 L78 W79 N80 H87 V88 A91 Y117 L121Y46-F82 HydrophobicContact CD1-CE2 4.07Å; Y46-F82 AromaticContact CE1-CE2 3.56Å; Y46-F82 HydrophobicContact CE1-CE2 3.56Å; Y46-F82 AromaticContact CE1-CZ 3.97Å; Y46-F82 HydrophobicContact CE1-CZ 3.97Å; L78-F82 HydrophobicContact CD1-CB 3.67Å; L78-F82 HydrophobicContact CG-CB 4.45Å; W79-F82 HydrophobicContact CB-CD2 4.17Å; W79-F82 PolarHBondContact O-N 2.89Å; N80-F82 PolarHBondContact O-N 3.2Å; F82-H87 HydrophobicContact CB-CB 4.18Å; F82-H87 HydrophobicContact CD1-CB 4.1Å; F82-V88 WeakPolarHBondContact O-CG2 2.98Å; F82-A91 HydrophobicContact CB-CB 3.82Å; F82-A91 HydrophobicContact CD1-CB 3.7Å; F82-A91 HydrophobicContact CD2-CB 4.2Å; F82-A91 HydrophobicContact CE1-CB 4.28Å; F82-A91 HydrophobicContact CG-CB 3.65Å; F82-Y117 HydrophobicContact CD1-CD2 4.31Å; F82-Y117 AromaticContact CD1-CE2 3.97Å; F82-Y117 HydrophobicContact CD1-CE2 3.97Å; F82-Y117 HydrophobicContact CE1-CD2 4.4Å; F82-Y117 AromaticContact CE1-CE2 3.72Å; F82-Y117 HydrophobicContact CE1-CE2 3.72Å; F82-Y117 HydrophobicContact CZ-CE2 4.45Å; F82-L121 HydrophobicContact CE2-CD2 4.46Å
83F98.7Very high98.8Very high2 Ų226.2 Ų26.21%0.00912%0.116CC..  trans-67-35.7-177.4-101.9-108.1000114.2N80 I109 W111 P114 V135 H137 T140N80-F83 VanDerWaalsContact O-CD2 3.3Å; N80-F83 WeakPolarHBondContact O-CD2 3.4Å; F83-I109 HydrophobicContact CE1-CG2 4.14Å; F83-I109 HydrophobicContact CE2-CG2 3.8Å; F83-I109 HydrophobicContact CZ-CG2 3.37Å; F83-W111 VanDerWaalsContact CE2-O 3.32Å; F83-W111 WeakPolarHBondContact CE2-O 3.23Å; F83-W111 WeakPolarHBondContact CZ-O 3.49Å; F83-P114 HydrophobicContact CB-CB 3.69Å; F83-P114 HydrophobicContact CB-CG 4.25Å; F83-P114 HydrophobicContact CD1-CB 3.89Å; F83-P114 HydrophobicContact CD1-CG 3.55Å; F83-P114 HydrophobicContact CD2-CB 4.22Å; F83-P114 HydrophobicContact CE1-CG 3.96Å; F83-P114 HydrophobicContact CG-CB 3.67Å; F83-P114 HydrophobicContact CG-CG 3.89Å; F83-V135 HydrophobicContact CB-CB 4.26Å; F83-V135 HydrophobicContact CB-CG1 4.41Å; F83-V135 HydrophobicContact CB-CG2 4.26Å; F83-V135 HydrophobicContact CD1-CB 4.49Å; F83-H137 AromaticContact CE1-CD2 3.92Å; F83-T140 HydrophobicContact CD1-CG2 4.22Å; F83-T140 WeakPolarHBondContact CD1-OG1 3.46Å; F83-T140 HydrophobicContact CG-CG2 4.48Å; F83-T140 PolarHBondContact O-OG1 3.06Å
84R98.7Very high98.8Very high99 Ų9928.6 Ų28.637%0.37413%0.128SC..SBendtrans-58.4138.2179.7-70.6-171.1176.4-99.3-9.6110.9E86 H87 D133 V135R84-E86 VanDerWaalsContact C-N 3.29Å; R84-E86 PolarHBondContact O-N 3.42Å; R84-E86 VanDerWaalsContact O-N 3.15Å; R84-H87 WeakPolarHBondContact O-CA 3.3Å; R84-H87 WeakPolarHBondContact O-CB 3.39Å; R84-H87 PolarHBondContact O-N 2.9Å; R84-D133 IonicContact CZ-OD1 2.68Å; R84-D133 IonicContact CZ-OD2 3.7Å; R84-D133 IonicContact NE-OD1 3.46Å; R84-D133 IonicContact NE-OD2 3.07Å; R84-D133 PolarHBondContact NE-OD2 3.04Å; R84-D133 VanDerWaalsContact NH2-CG 3.34Å; R84-D133 IonicContact NH2-OD1 2.92Å; R84-D133 PolarHBondContact NH2-OD1 3.23Å; R84-D133 IonicContact NH2-OD2 2.76Å; R84-D133 PolarHBondContact NH2-OD2 3.13Å; R84-D133 VanDerWaalsContact NH2-OD2 3.12Å; R84-V135 HydrophobicContact CG-CG2 3.83Å
85P98.8Very high98.8Very high32 Ų3228.6 Ų28.621%0.20813%0.128CC..Hα-helixtrans-49.9-44.5-172.6-3338.1000114.9H87 V88 E139 E143P85-H87 PolarHBondContact O-N 3.47Å; P85-V88 PolarHBondContact O-N 3.31Å; P85-E139 HydrophobicContact CG-CB 4.05Å; P85-E143 HydrophobicContact CB-CG 3.61Å; P85-E143 HydrophobicContact CG-CG 4.5Å
86E98.6Very high98.8Very high120 Ų12029 Ų2956%0.56113%0.13SC*.Hα-helixtrans-64.5-5.8179.264.9-91.1-152.700114.1R84R84-E86 VanDerWaalsContact C-N 3.29Å; R84-E86 PolarHBondContact O-N 3.42Å; R84-E86 VanDerWaalsContact O-N 3.15Å
87H98.7Very high98.8Very high26 Ų2635.5 Ų35.512%0.1216%0.158CC..Hα-helixtrans-113.2-14.9-176.7-65.1-9.7000114.5F82 R84 P85 K90 A91 Y117F82-H87 HydrophobicContact CB-CB 4.18Å; F82-H87 HydrophobicContact CD1-CB 4.1Å; R84-H87 WeakPolarHBondContact O-CA 3.3Å; R84-H87 WeakPolarHBondContact O-CB 3.39Å; R84-H87 PolarHBondContact O-N 2.9Å; P85-H87 PolarHBondContact O-N 3.47Å; H87-K90 PolarHBondContact CE1-NZ 3.35Å; H87-K90 VanDerWaalsContact CG-CE 3.44Å; H87-K90 VanDerWaalsContact CG-NZ 3.33Å; H87-K90 VanDerWaalsContact ND1-CE 3.3Å; H87-K90 WeakPolarHBondContact ND1-CE 3.42Å; H87-K90 PolarHBondContact ND1-NZ 3.36Å; H87-K90 WeakPolarHBondContact O-CG 3.47Å; H87-A91 WeakPolarHBondContact O-CB 3.33Å; H87-A91 PolarHBondContact O-N 3.11Å; H87-Y117 AromaticContact CD2-CD1 3.95Å; H87-Y117 AromaticContact CD2-CD2 3.27Å; H87-Y117 WeakPolarHBondContact CD2-CD2 3.37Å; H87-Y117 AromaticContact CD2-CE2 3.8Å; H87-Y117 AromaticContact CD2-CG 3.36Å; H87-Y117 AromaticContact NE2-CD1 3.4Å; H87-Y117 WeakPolarHBondContact NE2-CD1 3.34Å; H87-Y117 AromaticContact NE2-CD2 3.63Å; H87-Y117 AromaticContact NE2-CE1 3.8Å; H87-Y117 AromaticContact NE2-CG 3.32Å; H87-Y117 VanDerWaalsContact NE2-CG 3.32Å
88V98.9Very high98.8Very high0 Ų037.5 Ų37.50%017%0.169CC..Hα-helixtrans-65.5-47.8-175.3175.40000111.6L78 F82 P85 A91 C92 T140 E143 M144 L147L78-V88 HydrophobicContact CD1-CG1 4.42Å; L78-V88 HydrophobicContact CD2-CG1 4.29Å; L78-V88 HydrophobicContact CD2-CG2 4.11Å; F82-V88 WeakPolarHBondContact O-CG2 2.98Å; P85-V88 PolarHBondContact O-N 3.31Å; V88-A91 PolarHBondContact O-N 3.27Å; V88-C92 PolarHBondContact O-N 3.39Å; V88-T140 HydrophobicContact CG2-CG2 3.94Å; V88-E143 HydrophobicContact CB-CB 3.67Å; V88-E143 HydrophobicContact CB-CG 4.4Å; V88-E143 HydrophobicContact CG1-CB 3.75Å; V88-E143 HydrophobicContact CG2-CB 3.87Å; V88-E143 HydrophobicContact CG2-CG 4.35Å; V88-M144 HydrophobicContact CG1-CG 4.31Å; V88-M144 HydrophobicContact CG1-SD 3.88Å; V88-L147 HydrophobicContact CG1-CD1 3.99Å
89R98.8Very high98.8Very high79 Ų7937.5 Ų37.530%0.29817%0.169SC..Hα-helixtrans-61.8-52.1-180177.4177.7-62-96.1-7.3112.4A91 C92 E93 L147 D150R89-A91 PolarHBondContact O-N 2.92Å; R89-C92 WeakPolarHBondContact O-CB 3.45Å; R89-C92 PolarHBondContact O-N 3.25Å; R89-E93 WeakPolarHBondContact CD-OE1 3.41Å; R89-E93 HydrophobicContact CG-CG 4.12Å; R89-E93 WeakPolarHBondContact CG-OE1 3.3Å; R89-E93 PolarHBondContact O-N 3.03Å; R89-L147 HydrophobicContact CB-CD2 4.15Å; R89-L147 HydrophobicContact CG-CD2 4.33Å; R89-D150 IonicContact CZ-OD2 3.96Å; R89-D150 IonicContact NH1-OD2 3.72Å; R89-D150 PolarHBondContact NH1-OD2 3.27Å; R89-D150 IonicContact NH2-OD2 3.77Å; R89-D150 PolarHBondContact NH2-OD2 3.5Å
90K98.4Very high98.8Very high67 Ų6744.5 Ų44.529%0.29120%0.195SC..Hα-helixtrans-58.6-34.9-178.467.1176.5-172.7-169.20112.1H87 E94 Y117H87-K90 PolarHBondContact CE1-NZ 3.35Å; H87-K90 VanDerWaalsContact CG-CE 3.44Å; H87-K90 VanDerWaalsContact CG-NZ 3.33Å; H87-K90 VanDerWaalsContact ND1-CE 3.3Å; H87-K90 WeakPolarHBondContact ND1-CE 3.42Å; H87-K90 PolarHBondContact ND1-NZ 3.36Å; H87-K90 WeakPolarHBondContact O-CG 3.47Å; K90-E94 WeakPolarHBondContact O-CB 3.34Å; K90-E94 PolarHBondContact O-N 3.12Å; K90-Y117 PolarHBondContact NZ-OH 3.07Å
91A98.8Very high98.8Very high2 Ų245.5 Ų45.52%0.01720%0.201CC..Hα-helixtrans-66-44.5176.300000111.6L78 F82 H87 V88 R89 E94 T95L78-A91 HydrophobicContact CD1-CB 3.62Å; F82-A91 HydrophobicContact CB-CB 3.82Å; F82-A91 HydrophobicContact CD1-CB 3.7Å; F82-A91 HydrophobicContact CD2-CB 4.2Å; F82-A91 HydrophobicContact CE1-CB 4.28Å; F82-A91 HydrophobicContact CG-CB 3.65Å; H87-A91 WeakPolarHBondContact O-CB 3.33Å; H87-A91 PolarHBondContact O-N 3.11Å; V88-A91 PolarHBondContact O-N 3.27Å; R89-A91 PolarHBondContact O-N 2.92Å; A91-E94 PolarHBondContact O-N 2.59Å; A91-T95 PolarHBondContact O-N 2.94Å
92C98.9Very high98.8Very high0 Ų054.6 Ų54.60%024%0.24CC..Hα-helixtrans-63.3-45176-173.80000111.7V88 R89 E94 T95 L96 Y107 L147V88-C92 PolarHBondContact O-N 3.39Å; R89-C92 WeakPolarHBondContact O-CB 3.45Å; R89-C92 PolarHBondContact O-N 3.25Å; C92-E94 PolarHBondContact O-N 3.04Å; C92-T95 WeakPolarHBondContact O-CB 3.41Å; C92-T95 PolarHBondContact O-N 3.46Å; C92-L96 WeakPolarHBondContact O-CG 3.16Å; C92-L96 PolarHBondContact O-N 3.31Å; C92-Y107 HydrophobicContact CB-CD1 4.47Å; C92-Y107 HydrophobicContact CB-CE1 3.86Å; C92-L147 HydrophobicContact CB-CD1 3.72Å; C92-L147 HydrophobicContact CB-CD2 4.27Å
93E98.9Very high98.8Very high87 Ų8755.6 Ų55.641%0.40724%0.244SC..Hα-helixtrans-63.7-38.9178.6-72174.9163.200112.4R89 L96 K97 L152R89-E93 WeakPolarHBondContact CD-OE1 3.41Å; R89-E93 HydrophobicContact CG-CG 4.12Å; R89-E93 WeakPolarHBondContact CG-OE1 3.3Å; R89-E93 PolarHBondContact O-N 3.03Å; E93-L96 PolarHBondContact O-N 2.97Å; E93-K97 WeakPolarHBondContact O-CB 3.36Å; E93-K97 PolarHBondContact O-N 3.23Å; E93-L152 HydrophobicContact CG-CD1 4.29Å
94E98.8Very high98.8Very high62 Ų6255.5 Ų55.529%0.2924%0.243SC..Hα-helixtrans-66.2-41.1174.8-169.560.3-153.100111.4Y46 K90 A91 C92 K97 N98Y46-E94 HydrophobicContact CE2-CB 4.44Å; Y46-E94 HydrophobicContact CE2-CG 4.06Å; K90-E94 WeakPolarHBondContact O-CB 3.34Å; K90-E94 PolarHBondContact O-N 3.12Å; A91-E94 PolarHBondContact O-N 2.59Å; C92-E94 PolarHBondContact O-N 3.04Å; E94-K97 PolarHBondContact O-N 2.93Å; E94-K97 IonicContact OE1-NZ 2.85Å; E94-K97 PolarHBondContact OE1-NZ 2.65Å; E94-K97 IonicContact OE2-NZ 3.34Å; E94-K97 PolarHBondContact OE2-NZ 2.71Å; E94-N98 WeakPolarHBondContact O-CB 3.48Å; E94-N98 PolarHBondContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3.25Å
95T98.9Very high98.8Very high0 Ų051 Ų510%023%0.226CC..Hα-helixtrans-60.5-44.9171.6-82.30000112E51 A91 C92 K97 N98 L99 L104E51-T95 VanDerWaalsContact OE1-CG2 3.27Å; E51-T95 WeakPolarHBondContact OE1-CG2 3.46Å; E51-T95 PolarHBondContact OE1-OG1 2.93Å; E51-T95 WeakPolarHBondContact OE2-CA 3.27Å; E51-T95 PolarHBondContact OE2-OG1 3.42Å; A91-T95 PolarHBondContact O-N 2.94Å; C92-T95 WeakPolarHBondContact O-CB 3.41Å; C92-T95 PolarHBondContact O-N 3.46Å; T95-K97 VanDerWaalsContact C-N 3.34Å; T95-K97 PolarHBondContact O-N 3.15Å; T95-N98 PolarHBondContact O-N 2.94Å; T95-L99 HydrophobicContact CG2-CD1 3.68Å; T95-L99 HydrophobicContact CG2-CG 4.5Å; T95-L99 WeakPolarHBondContact O-CB 3.49Å; T95-L99 WeakPolarHBondContact O-CG 3.4Å; T95-L99 PolarHBondContact O-N 3.16Å; T95-L104 HydrophobicContact CG2-CD1 3.92Å; T95-L104 HydrophobicContact CG2-CD2 4.29Å
96L98.9Very high98.8Very high10 Ų1049.5 Ų49.55%0.05222%0.216CC..Hα-helixtrans-60.3-44.2176.5-75.4173.1000111.5C92 E93 R100 L101 Y103 L104 L152C92-L96 WeakPolarHBondContact O-CG 3.16Å; C92-L96 PolarHBondContact O-N 3.31Å; E93-L96 PolarHBondContact O-N 2.97Å; L96-R100 CarbonylContact O-C 3.51Å; L96-R100 WeakPolarHBondContact O-CA 3.22Å; L96-R100 PolarHBondContact O-N 3.06Å; L96-L101 HydrophobicContact CD2-CB 3.97Å; L96-L101 PolarHBondContact O-N 3.06Å; L96-Y103 VanDerWaalsContact CD2-CA 3.49Å; L96-L104 HydrophobicContact CD2-CD2 4.4Å; L96-L104 HydrophobicContact CD2-CG 3.87Å; L96-L152 HydrophobicContact CD1-CB 4.15Å; L96-L152 HydrophobicContact CD1-CD2 3.96Å
97K98.9Very high98.8Very high136 Ų13643.8 Ų43.859%0.59119%0.19SC*.Hα-helixtrans-61.5-47.9175.3173.8-179.8154.7-133.30111.8E93 E94 T95 R100E93-K97 WeakPolarHBondContact O-CB 3.36Å; E93-K97 PolarHBondContact O-N 3.23Å; E94-K97 PolarHBondContact O-N 2.93Å; E94-K97 IonicContact OE1-NZ 2.85Å; E94-K97 PolarHBondContact OE1-NZ 2.65Å; E94-K97 IonicContact OE2-NZ 3.34Å; E94-K97 PolarHBondContact OE2-NZ 2.71Å; T95-K97 VanDerWaalsContact C-N 3.34Å; T95-K97 PolarHBondContact O-N 3.15Å; K97-R100 PolarHBondContact O-N 3.31Å; K97-R100 VanDerWaalsContact O-N 3.11Å
98N98.8Very high98.8Very high42 Ų4242.5 Ų42.523%0.22518%0.184CC..Hα-helixtrans-61-48.5178.4-72.8-28.2000111.4E51 A52 E94 T95 R100E51-N98 HydrophobicContact CB-CB 3.69Å; A52-N98 VanDerWaalsContact CA-O 3.31Å; A52-N98 WeakPolarHBondContact CA-O 3.33Å; E94-N98 WeakPolarHBondContact O-CB 3.48Å; E94-N98 PolarHBondContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3.25Å; T95-N98 PolarHBondContact O-N 2.94Å; N98-R100 PolarHBondContact O-N 3.33Å
99L98.9Very high98.8Very high1 Ų142.5 Ų42.51%0.00518%0.184CC..Hα-helixtrans-73.1-7.6177.6-66.3168.2000113.3E51 I54 G55 V74 T95 L101 L104E51-L99 HydrophobicContact CB-CD2 3.89Å; E51-L99 HydrophobicContact CB-CG 3.99Å; E51-L99 HydrophobicContact CG-CD2 4.18Å; E51-L99 HydrophobicContact CG-CG 4.3Å; E51-L99 WeakPolarHBondContact O-CD2 3.38Å; I54-L99 HydrophobicContact CB-CD2 4.04Å; I54-L99 HydrophobicContact CG2-CD2 3.8Å; G55-L99 WeakPolarHBondContact CA-O 3.48Å; V74-L99 HydrophobicContact CG1-CD1 4.06Å; T95-L99 HydrophobicContact CG2-CD1 3.68Å; T95-L99 HydrophobicContact CG2-CG 4.5Å; T95-L99 WeakPolarHBondContact O-CB 3.49Å; T95-L99 WeakPolarHBondContact O-CG 3.4Å; T95-L99 PolarHBondContact O-N 3.16Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 HydrophobicContact CB-CB 4.45Å; L99-L101 HydrophobicContact CB-CD1 3.82Å; L99-L101 HydrophobicContact CB-CG 3.79Å; L99-L101 HydrophobicContact CD1-CD1 4.27Å; L99-L101 WeakPolarHBondContact O-CG 3.36Å; L99-L101 PolarHBondContact O-N 2.95Å; L99-L104 HydrophobicContact CD1-CD2 3.75Å
100R98.7Very high98.8Very high152 Ų15239.2 Ų39.257%0.57417%0.172SC*.THydrogen-bonded Turntrans58.441.5-175.3-49.7179.1-176.4-169.5-2112.8E59 L96 K97 N98E59-R100 IonicContact OE2-CZ 2.89Å; E59-R100 IonicContact OE2-NH1 3.67Å; E59-R100 PolarHBondContact OE2-NH1 2.69Å; L96-R100 CarbonylContact O-C 3.51Å; L96-R100 WeakPolarHBondContact O-CA 3.22Å; L96-R100 PolarHBondContact O-N 3.06Å; K97-R100 PolarHBondContact O-N 3.31Å; K97-R100 VanDerWaalsContact O-N 3.11Å; N98-R100 PolarHBondContact O-N 3.33Å
101L98.8Very high98.9Very high22 Ų2236.6 Ų36.612%0.11516%0.16CC..  trans-115.1152.8-176.1-61.5-177.4000111.7L58 V74 L96 L99 L104L58-L101 HydrophobicContact CD2-CD1 4.43Å; L58-L101 HydrophobicContact CD2-CD2 3.91Å; V74-L101 HydrophobicContact CB-CD1 3.99Å; V74-L101 HydrophobicContact CG1-CD1 3.85Å; V74-L101 HydrophobicContact CG2-CD1 3.98Å; L96-L101 HydrophobicContact CD2-CB 3.97Å; L96-L101 PolarHBondContact O-N 3.06Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 HydrophobicContact CB-CB 4.45Å; L99-L101 HydrophobicContact CB-CD1 3.82Å; L99-L101 HydrophobicContact CB-CG 3.79Å; L99-L101 HydrophobicContact CD1-CD1 4.27Å; L99-L101 WeakPolarHBondContact O-CG 3.36Å; L99-L101 PolarHBondContact O-N 2.95Å; L101-L104 HydrophobicContact CD1-CD2 4.3Å
102K98.6Very high98.8Very high191 Ų19136.5 Ų36.583%0.8316%0.16SC*.SBendtrans-88.3-21.3169.8-63.3-176.1180-178.70112.9
103Y98.9Very high98.8Very high38 Ų3836.5 Ų36.515%0.14916%0.16CC..  trans-154.4157.917768.2-93.6000111.8R69 L96 G151 L152 K154R69-Y103 HydrophobicContact CG-CE1 3.94Å; R69-Y103 PolarHBondContact NH2-O 2.97Å; L96-Y103 VanDerWaalsContact CD2-CA 3.49Å; Y103-G151 WeakPolarHBondContact CB-O 3.32Å; Y103-L152 CarbonylContact C-O 3.51Å; Y103-L152 WeakPolarHBondContact CA-O 3.37Å; Y103-L152 WeakPolarHBondContact CB-O 3.34Å; Y103-K154 HydrophobicContact CD2-CD 4.27Å; Y103-K154 HydrophobicContact CD2-CG 3.73Å; Y103-K154 HydrophobicContact CE2-CG 4.07Å
104L99Very high98.8Very high0 Ų032.4 Ų32.40%014%0.14CC..BIsolated β-bridgetrans-100.2148.6165.5-64.8170.6000110.7V74 T95 L96 L99 L101 Y107 L152 V153 K154V74-L104 HydrophobicContact CB-CD2 4.48Å; V74-L104 HydrophobicContact CG1-CD2 3.98Å; T95-L104 HydrophobicContact CG2-CD1 3.92Å; T95-L104 HydrophobicContact CG2-CD2 4.29Å; L96-L104 HydrophobicContact CD2-CD2 4.4Å; L96-L104 HydrophobicContact CD2-CG 3.87Å; L99-L104 HydrophobicContact CD1-CD2 3.75Å; L101-L104 HydrophobicContact CD1-CD2 4.3Å; L104-Y107 HydrophobicContact CD1-CD2 3.48Å; L104-Y107 VanDerWaalsContact CD1-CD2 3.48Å; L104-Y107 HydrophobicContact CD1-CE2 4.14Å; L104-Y107 HydrophobicContact CD1-CG 4.01Å; L104-L152 PolarHBondContact N-O 3.48Å; L104-V153 HydrophobicContact CB-CG1 4.15Å; L104-V153 HydrophobicContact CD1-CG1 4.35Å; L104-V153 CarbonylContact O-C 3.6Å; L104-V153 WeakPolarHBondContact O-CA 3.48Å; L104-K154 PolarHBondContact O-N 3.49Å
105D99Very high98.8Very high4 Ų429.5 Ų29.52%0.02113%0.127CC..SBendtrans-79.2-33.7174.7-69.5-81.3000111.6R10 R69 F73 V74 S155R10-D105 IonicContact NH2-OD1 3.86Å; R10-D105 PolarHBondContact NH2-OD1 2.82Å; R69-D105 IonicContact CZ-OD2 3Å; R69-D105 IonicContact NH1-OD2 3.54Å; R69-D105 PolarHBondContact NH1-OD2 2.89Å; R69-D105 IonicContact NH2-OD2 2.84Å; R69-D105 PolarHBondContact NH2-OD2 3.47Å; F73-D105 HydrophobicContact CB-CB 4.47Å; F73-D105 HydrophobicContact CD1-CB 3.73Å; F73-D105 HydrophobicContact CD2-CB 3.62Å; F73-D105 HydrophobicContact CE1-CB 3.76Å; F73-D105 HydrophobicContact CE2-CB 3.66Å; F73-D105 HydrophobicContact CG-CB 3.66Å; F73-D105 HydrophobicContact CZ-CB 3.73Å; V74-D105 PolarHBondContact N-OD2 2.85Å; V74-D105 PolarHBondContact O-N 2.8Å; D105-S155 VanDerWaalsContact O-CB 3.22Å; D105-S155 WeakPolarHBondContact O-CB 3.5Å; D105-S155 PolarHBondContact O-N 2.69Å; D105-S155 PolarHBondContact O-OG 3.47Å
106L99Very high98.7Very high0 Ų034.4 Ų34.40%015%0.15CC..EExtended strand (participates in β ladder)trans-143.1130.9176.3-179.960.6000110.6I12 F73 V74 T75 S76 L108 S155 N179I12-L106 HydrophobicContact CD1-CD2 4.12Å; F73-L106 HydrophobicContact CE1-CB 3.54Å; F73-L106 HydrophobicContact CE1-CD2 4.24Å; F73-L106 HydrophobicContact CZ-CB 3.76Å; F73-L106 HydrophobicContact CZ-CD2 4.49Å; V74-L106 PolarHBondContact O-N 3.12Å; T75-L106 VanDerWaalsContact CA-O 3.3Å; T75-L106 WeakPolarHBondContact CA-O 3.39Å; T75-L106 HydrophobicContact CG2-CB 4.17Å; T75-L106 HydrophobicContact CG2-CD2 3.95Å; T75-L106 HydrophobicContact CG2-CG 4.04Å; S76-L106 PolarHBondContact N-O 3.42Å; L106-L108 HydrophobicContact CD1-CD2 3.71Å; L106-L108 HydrophobicContact CD2-CD2 3.92Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 3.69Å; L106-L108 HydrophobicContact CG-CG 4.1Å; L106-S155 CarbonylContact C-O 3.51Å; L106-S155 WeakPolarHBondContact CA-O 3.39Å; L106-N179 HydrophobicContact CD1-CB 4.07Å; L106-N179 HydrophobicContact CD2-CB 3.74Å
107Y99Very high98.7Very high0 Ų038.9 Ų38.90%017%0.166CC..EExtended strand (participates in β ladder)trans-123.7123.8172.1-166.9-130.4000110.5S76 K77 L78 C92 L104 M144 L147 V153 S155 I156 G157S76-Y107 WeakPolarHBondContact O-CA 3.42Å; S76-Y107 WeakPolarHBondContact O-CD2 3.36Å; K77-Y107 VanDerWaalsContact C-CE2 3.43Å; L78-Y107 VanDerWaalsContact CA-OH 3.24Å; L78-Y107 WeakPolarHBondContact CA-OH 3.11Å; L78-Y107 HydrophobicContact CB-CE1 3.81Å; L78-Y107 HydrophobicContact CB-CE2 4.43Å; L78-Y107 HydrophobicContact CD1-CE1 4.29Å; L78-Y107 WeakPolarHBondContact CD1-OH 3.47Å; L78-Y107 VanDerWaalsContact N-CE2 3.35Å; C92-Y107 HydrophobicContact CB-CD1 4.47Å; C92-Y107 HydrophobicContact CB-CE1 3.86Å; L104-Y107 HydrophobicContact CD1-CD2 3.48Å; L104-Y107 VanDerWaalsContact CD1-CD2 3.48Å; L104-Y107 HydrophobicContact CD1-CE2 4.14Å; L104-Y107 HydrophobicContact CD1-CG 4.01Å; Y107-M144 HydrophobicContact CD1-CE 3.38Å; Y107-M144 HydrophobicContact CD1-SD 3.62Å; Y107-M144 HydrophobicContact CE1-CE 4.02Å; Y107-M144 HydrophobicContact CE1-SD 3.73Å; Y107-M144 HydrophobicContact CG-CE 4.06Å; Y107-M144 WeakPolarHBondContact O-CE 3.33Å; Y107-L147 HydrophobicContact CD1-CD1 3.77Å; Y107-L147 HydrophobicContact CE1-CD1 3.84Å; Y107-V153 HydrophobicContact CD1-CG1 4.33Å; Y107-V153 HydrophobicContact CG-CG1 4.18Å; Y107-S155 PolarHBondContact N-O 3.33Å; Y107-I156 VanDerWaalsContact O-CA 3.28Å; Y107-I156 WeakPolarHBondContact O-CA 3.25Å; Y107-G157 PolarHBondContact O-N 2.88Å
108L99Very high98.4Very high0 Ų033.6 Ų33.60%015%0.151CC..EExtended strand (participates in β ladder)trans-109.1142.9-172.5-55.3176.8000111.4T75 S76 K77 L78 L106 H110 G157 N179 Q181T75-L108 HydrophobicContact CG2-CD1 3.93Å; T75-L108 HydrophobicContact CG2-CG 4.19Å; S76-L108 PolarHBondContact O-N 3.48Å; K77-L108 CarbonylContact C-O 3.51Å; K77-L108 WeakPolarHBondContact CA-O 3.49Å; K77-L108 HydrophobicContact CB-CB 4.38Å; K77-L108 HydrophobicContact CD-CD1 4.49Å; K77-L108 HydrophobicContact CG-CB 4.13Å; K77-L108 HydrophobicContact CG-CD1 4.39Å; L78-L108 PolarHBondContact N-O 2.94Å; L106-L108 HydrophobicContact CD1-CD2 3.71Å; L106-L108 HydrophobicContact CD2-CD2 3.92Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 3.69Å; L106-L108 HydrophobicContact CG-CG 4.1Å; L108-H110 PolarHBondContact O-N 3.25Å; L108-G157 WeakPolarHBondContact CA-O 3.29Å; L108-G157 VanDerWaalsContact CD2-C 3.43Å; L108-G157 VanDerWaalsContact CD2-CA 3.44Å; L108-N179 HydrophobicContact CD2-CB 4.43Å; L108-Q181 HydrophobicContact CD1-CB 3.65Å; L108-Q181 HydrophobicContact CD1-CG 4.47Å
109I99Very high98.1Very high0 Ų039.9 Ų39.90%018%0.179CC..EExtended strand (participates in β ladder)trans-69.9116.8158.6-57.4-179.3000107.4L78 F83 T140 W141 M144 G157 L158 S159 F161L78-I109 HydrophobicContact CD2-CG1 4.42Å; F83-I109 HydrophobicContact CE1-CG2 4.14Å; F83-I109 HydrophobicContact CE2-CG2 3.8Å; F83-I109 HydrophobicContact CZ-CG2 3.37Å; I109-T140 HydrophobicContact CD1-CG2 3.93Å; I109-T140 HydrophobicContact CG1-CG2 4.5Å; I109-W141 HydrophobicContact CD1-CE3 3.95Å; I109-W141 HydrophobicContact CD1-CZ3 4.45Å; I109-M144 HydrophobicContact CD1-CG 4.31Å; I109-M144 HydrophobicContact CG1-CE 4.1Å; I109-M144 HydrophobicContact CG1-CG 4.19Å; I109-M144 HydrophobicContact CG1-SD 4.36Å; I109-G157 PolarHBondContact N-O 3.13Å; I109-L158 HydrophobicContact CB-CD2 4.42Å; I109-L158 HydrophobicContact CD1-CD2 4.22Å; I109-L158 HydrophobicContact CG1-CD2 4.49Å; I109-S159 WeakPolarHBondContact O-CA 3.31Å; I109-S159 VanDerWaalsContact O-CB 3.3Å; I109-S159 WeakPolarHBondContact O-CB 3.33Å; I109-S159 PolarHBondContact O-N 3.42Å; I109-F161 HydrophobicContact CB-CE2 3.94Å; I109-F161 HydrophobicContact CB-CZ 4.14Å; I109-F161 HydrophobicContact CD1-CZ 4.36Å; I109-F161 HydrophobicContact CG2-CE2 3.74Å; I109-F161 HydrophobicContact CG2-CZ 3.83Å
110H98.8Very high97.9Very high10 Ų1043.3 Ų43.35%0.04620%0.202CC..  trans-68.9-41.1-164.7-159.4159.1000113.4A45 V47 Y48 K77 L78 W79 L108 S159 N160A45-H110 VanDerWaalsContact CB-CE1 3.44Å; A45-H110 WeakPolarHBondContact CB-CE1 3.22Å; V47-H110 VanDerWaalsContact CG1-CE1 3.43Å; V47-H110 WeakPolarHBondContact CG1-CE1 3.33Å; Y48-H110 AromaticContact CE1-CE1 3.81Å; K77-H110 HydrophobicContact CB-CB 3.71Å; K77-H110 HydrophobicContact CD-CB 4.39Å; K77-H110 VanDerWaalsContact CD-CD2 3.45Å; K77-H110 WeakPolarHBondContact CD-CD2 3.34Å; L78-H110 WeakPolarHBondContact O-CB 3.31Å; L78-H110 PolarHBondContact O-N 2.82Å; W79-H110 HydrophobicContact CE3-CB 4.05Å; W79-H110 AromaticContact CE3-CE1 3.99Å; W79-H110 AromaticContact CE3-CG 3.82Å; W79-H110 AromaticContact CE3-ND1 3.28Å; W79-H110 VanDerWaalsContact CE3-ND1 3.28Å; W79-H110 HydrophobicContact CZ3-CB 4.38Å; W79-H110 AromaticContact CZ3-CE1 3.77Å; W79-H110 AromaticContact CZ3-CG 3.85Å; W79-H110 AromaticContact CZ3-ND1 3.45Å; W79-H110 WeakPolarHBondContact CZ3-ND1 3.48Å; L108-H110 PolarHBondContact O-N 3.25Å; H110-S159 CarbonylContact C-O 3.48Å; H110-S159 CarbonylContact O-C 3.59Å; H110-S159 WeakPolarHBondContact O-CB 3.43Å; H110-S159 PolarHBondContact O-OG 2.84Å; H110-S159 VanDerWaalsContact O-OG 3.13Å; H110-N160 PolarHBondContact O-ND2 3.02Å
111W98.7Very high97.8Very high12 Ų1236.5 Ų36.55%0.04518%0.177CC..  trans-143.6152.3172.9-74.883.4000108.7W79 N80 F83 V113 S159 N160 L295 M298 P305 F306W79-W111 AromaticContact CZ3-CD1 3.99Å; N80-W111 WeakPolarHBondContact ND2-CB 3.35Å; N80-W111 WeakPolarHBondContact OD1-CB 3.41Å; F83-W111 VanDerWaalsContact CE2-O 3.32Å; F83-W111 WeakPolarHBondContact CE2-O 3.23Å; F83-W111 WeakPolarHBondContact CZ-O 3.49Å; W111-V113 PolarHBondContact O-N 3.03Å; W111-S159 WeakPolarHBondContact CA-O 3.18Å; W111-N160 HydrophobicContact CD2-CB 3.73Å; W111-N160 HydrophobicContact CE3-CB 3.44Å; W111-N160 VanDerWaalsContact CE3-CB 3.44Å; W111-N160 HydrophobicContact CG-CB 4.39Å; W111-N160 HydrophobicContact CH2-CB 4.06Å; W111-N160 HydrophobicContact CZ2-CB 4.32Å; W111-N160 WeakPolarHBondContact CZ2-ND2 3.3Å; W111-N160 HydrophobicContact CZ3-CB 3.64Å; W111-N160 PolarHBondContact NE1-ND2 2.92Å; W111-L295 HydrophobicContact CD2-CD2 4.09Å; W111-L295 HydrophobicContact CH2-CB 4.41Å; W111-L295 HydrophobicContact CH2-CD1 3.74Å; W111-L295 HydrophobicContact CH2-CD2 4.1Å; W111-L295 HydrophobicContact CH2-CG 4.29Å; W111-L295 HydrophobicContact CZ2-CD1 3.56Å; W111-L295 HydrophobicContact CZ2-CD2 3.59Å; W111-L295 HydrophobicContact CZ2-CG 4.11Å; W111-M298 HydrophobicContact CB-CE 4.48Å; W111-M298 HydrophobicContact CD2-CE 3.6Å; W111-M298 HydrophobicContact CE3-CE 3.3Å; W111-M298 HydrophobicContact CE3-SD 4.36Å; W111-M298 HydrophobicContact CG-CE 4.11Å; W111-M298 HydrophobicContact CH2-CE 4.42Å; W111-M298 HydrophobicContact CZ3-CE 3.74Å; W111-P305 HydrophobicContact CE3-CG 4.41Å; W111-P305 HydrophobicContact CZ3-CG 4.31Å; W111-F306 AromaticContact CH2-CE2 3.83Å; W111-F306 HydrophobicContact CH2-CE2 3.83Å; W111-F306 AromaticContact CH2-CZ 3.86Å; W111-F306 HydrophobicContact CH2-CZ 3.86Å; W111-F306 AromaticContact CZ3-CE2 3.52Å; W111-F306 HydrophobicContact CZ3-CE2 3.52Å; W111-F306 AromaticContact CZ3-CZ 3.51Å; W111-F306 HydrophobicContact CZ3-CZ 3.51Å
112P98.5Very high97.7Very high0 Ų039.7 Ų39.70%019%0.19CC..SBendtrans-785.2-177.931.5-36.5000114.6H137 F161 E303 P305P112-H137 PolarHBondContact O-NE2 2.88Å; P112-F161 HydrophobicContact CB-CD1 4.13Å; P112-F161 HydrophobicContact CB-CD2 3.81Å; P112-F161 HydrophobicContact CB-CE1 3.91Å; P112-F161 HydrophobicContact CB-CE2 3.6Å; P112-F161 HydrophobicContact CB-CG 4.06Å; P112-F161 HydrophobicContact CB-CZ 3.63Å; P112-F161 HydrophobicContact CG-CD2 4.25Å; P112-F161 HydrophobicContact CG-CE2 4.38Å; P112-E303 VanDerWaalsContact O-CB 3.32Å; P112-E303 WeakPolarHBondContact O-CB 3.36Å; P112-P305 HydrophobicContact CG-CB 3.86Å; P112-P305 HydrophobicContact CG-CG 3.74Å
113V98.7Very high97.7Very high0 Ų031.6 Ų31.60%016%0.157CC..SBendtrans-106.4115.2-178.9-179.80000110.1N80 W111 F115 V132 M298 H301 E303N80-V113 WeakPolarHBondContact CB-O 3.42Å; N80-V113 VanDerWaalsContact CG-O 3.31Å; N80-V113 PolarHBondContact ND2-O 2.89Å; W111-V113 PolarHBondContact O-N 3.03Å; V113-F115 HydrophobicContact CB-CE1 4.23Å; V113-F115 HydrophobicContact CG1-CD1 4.13Å; V113-F115 HydrophobicContact CG1-CE1 3.88Å; V113-V132 HydrophobicContact CG1-CB 4.47Å; V113-V132 HydrophobicContact CG1-CG1 3.77Å; V113-M298 HydrophobicContact CB-CB 4.42Å; V113-M298 HydrophobicContact CB-SD 3.53Å; V113-M298 VanDerWaalsContact CB-SD 3.53Å; V113-M298 HydrophobicContact CG1-CB 4.05Å; V113-M298 HydrophobicContact CG1-SD 4.18Å; V113-M298 HydrophobicContact CG2-CB 4.42Å; V113-M298 HydrophobicContact CG2-CG 4.44Å; V113-M298 HydrophobicContact CG2-SD 3.47Å; V113-M298 WeakPolarHBondContact CG2-SD 3.49Å; V113-H301 HydrophobicContact CG1-CB 3.75Å; V113-H301 HydrophobicContact CG2-CB 4.32Å; V113-E303 VanDerWaalsContact CG2-O 3.32Å; V113-E303 WeakPolarHBondContact CG2-O 3.44Å
114P98.5Very high97.6Very high0 Ų033.3 Ų33.30%017%0.171CC..PPolyproline II helixtrans-65134.4171.4-11.825.1000110.7F83 V132 D133 V135F83-P114 HydrophobicContact CB-CB 3.69Å; F83-P114 HydrophobicContact CB-CG 4.25Å; F83-P114 HydrophobicContact CD1-CB 3.89Å; F83-P114 HydrophobicContact CD1-CG 3.55Å; F83-P114 HydrophobicContact CD2-CB 4.22Å; F83-P114 HydrophobicContact CE1-CG 3.96Å; F83-P114 HydrophobicContact CG-CB 3.67Å; F83-P114 HydrophobicContact CG-CG 3.89Å; P114-V132 WeakPolarHBondContact O-CA 3.42Å; P114-D133 HydrophobicContact CB-CB 4.06Å; P114-D133 WeakPolarHBondContact CB-O 3.43Å; P114-D133 WeakPolarHBondContact CG-O 3.38Å; P114-D133 PolarHBondContact O-N 3.2Å; P114-V135 HydrophobicContact CB-CB 4.25Å; P114-V135 HydrophobicContact CB-CG2 4.19Å; P114-V135 HydrophobicContact CG-CB 3.94Å; P114-V135 HydrophobicContact CG-CG2 4.39Å
115F98.3Very high97.4Very high2 Ų236.1 Ų36.11%0.00919%0.187CC..BIsolated β-bridgetrans-104154.8168.4-63.6-10000109.3W79 N80 T81 V113 Y117 P123 F130 C131 V132 M298W79-F115 HydrophobicContact CZ2-CE2 4.1Å; N80-F115 HydrophobicContact CB-CB 4.03Å; N80-F115 HydrophobicContact CB-CD1 3.96Å; N80-F115 HydrophobicContact CB-CD2 3.47Å; N80-F115 VanDerWaalsContact CB-CD2 3.47Å; N80-F115 HydrophobicContact CB-CE1 4.25Å; N80-F115 HydrophobicContact CB-CE2 3.8Å; N80-F115 HydrophobicContact CB-CG 3.54Å; N80-F115 HydrophobicContact CB-CZ 4.18Å; N80-F115 WeakPolarHBondContact ND2-CE1 3.29Å; N80-F115 WeakPolarHBondContact ND2-CE2 3.4Å; N80-F115 WeakPolarHBondContact ND2-CZ 3.21Å; N80-F115 PolarHBondContact O-N 3.17Å; T81-F115 HydrophobicContact CG2-CB 3.86Å; V113-F115 HydrophobicContact CB-CE1 4.23Å; V113-F115 HydrophobicContact CG1-CD1 4.13Å; V113-F115 HydrophobicContact CG1-CE1 3.88Å; F115-Y117 PolarHBondContact O-N 3.08Å; F115-P123 HydrophobicContact CB-CG 4.16Å; F115-F130 HydrophobicContact CD1-CB 4.22Å; F115-F130 HydrophobicContact CE1-CB 3.99Å; F115-F130 AromaticContact CE1-CD2 3.89Å; F115-F130 HydrophobicContact CE1-CD2 3.89Å; F115-F130 HydrophobicContact CE1-CG 4.22Å; F115-F130 HydrophobicContact CE2-CB 4.45Å; F115-F130 AromaticContact CE2-CD2 3.9Å; F115-F130 HydrophobicContact CE2-CD2 3.9Å; F115-F130 HydrophobicContact CE2-CE2 4.26Å; F115-F130 HydrophobicContact CE2-CG 4.08Å; F115-F130 HydrophobicContact CZ-CB 4.11Å; F115-F130 AromaticContact CZ-CD2 3.34Å; F115-F130 HydrophobicContact CZ-CD2 3.34Å; F115-F130 AromaticContact CZ-CE2 3.87Å; F115-F130 HydrophobicContact CZ-CE2 3.87Å; F115-F130 AromaticContact CZ-CG 3.83Å; F115-F130 HydrophobicContact CZ-CG 3.83Å; F115-C131 WeakPolarHBondContact CA-O 3.45Å; F115-V132 HydrophobicContact CD1-CG1 4.25Å; F115-M298 HydrophobicContact CE1-CB 4.07Å; F115-M298 HydrophobicContact CE1-SD 4.17Å; F115-M298 HydrophobicContact CZ-SD 4.28Å
116Q97.6Very high97.2Very high102 Ų10241.8 Ų41.848%0.47723%0.226SC..PPolyproline II helixtrans-55.9132.4173-71.5-173-13.700110.4T81 C131 V132T81-Q116 WeakPolarHBondContact CG2-O 3.47Å; Q116-C131 HydrophobicContact CB-CB 4.1Å; Q116-C131 HydrophobicContact CG-CB 3.88Å; Q116-C131 PolarHBondContact N-O 2.91Å; Q116-V132 WeakPolarHBondContact CG-O 3.09Å
117Y97.5Very high96.9Very high104 Ų10447.8 Ų47.841%0.40826%0.259SS..PPolyproline II helixtrans-67.3139.7177.4175.8-100.5000111.4T81 F82 H87 K90 F115T81-Y117 WeakPolarHBondContact O-CA 3.33Å; T81-Y117 WeakPolarHBondContact O-CB 3.38Å; T81-Y117 VanDerWaalsContact O-CD2 3.27Å; T81-Y117 WeakPolarHBondContact O-CD2 3.26Å; F82-Y117 HydrophobicContact CD1-CD2 4.31Å; F82-Y117 AromaticContact CD1-CE2 3.97Å; F82-Y117 HydrophobicContact CD1-CE2 3.97Å; F82-Y117 HydrophobicContact CE1-CD2 4.4Å; F82-Y117 AromaticContact CE1-CE2 3.72Å; F82-Y117 HydrophobicContact CE1-CE2 3.72Å; F82-Y117 HydrophobicContact CZ-CE2 4.45Å; H87-Y117 AromaticContact CD2-CD1 3.95Å; H87-Y117 AromaticContact CD2-CD2 3.27Å; H87-Y117 WeakPolarHBondContact CD2-CD2 3.37Å; H87-Y117 AromaticContact CD2-CE2 3.8Å; H87-Y117 AromaticContact CD2-CG 3.36Å; H87-Y117 AromaticContact NE2-CD1 3.4Å; H87-Y117 WeakPolarHBondContact NE2-CD1 3.34Å; H87-Y117 AromaticContact NE2-CD2 3.63Å; H87-Y117 AromaticContact NE2-CE1 3.8Å; H87-Y117 AromaticContact NE2-CG 3.32Å; H87-Y117 VanDerWaalsContact NE2-CG 3.32Å; K90-Y117 PolarHBondContact NZ-OH 3.07Å; F115-Y117 PolarHBondContact O-N 3.08Å
118G93.8Very high96.7Very high26 Ų2649 Ų4927%0.26827%0.272SS..SBendtrans168.6-176.5175.200000111.9C120G118-C120 VanDerWaalsContact C-N 3.28Å; G118-C120 PolarHBondContact O-N 2.77Å
119E91.1Very high96.6Very high174 Ų17451 Ų5181%0.81328%0.282SS*.SBendtrans-66.9-29.5179.1-63.6-58.8136.600112.9L121E119-L121 PolarHBondContact O-N 3.49Å
120C95.8Very high96.5Very high73 Ų7352.1 Ų52.149%0.49329%0.287SS..  trans-80.9119.4177.7-169.90000110.3G118 F122 P123G118-C120 VanDerWaalsContact C-N 3.28Å; G118-C120 PolarHBondContact O-N 2.77Å; C120-F122 PolarHBondContact O-N 3.06Å; C120-F122 PolarHBondContact SG-O 2.95Å; C120-F122 VanDerWaalsContact SG-O 3.36Å; C120-P123 WeakPolarHBondContact O-CD 3.44Å
121L96.5Very high96.4Very high8 Ų852.9 Ų52.94%0.04229%0.293CS..SBendtrans-70.6-19177-59.4-176.9000113.4Y46 V47 R49 W79 F82 E119Y46-L121 HydrophobicContact CD1-CD2 4.36Å; Y46-L121 HydrophobicContact CE1-CD1 4.41Å; Y46-L121 HydrophobicContact CE1-CD2 3.69Å; V47-L121 HydrophobicContact CG2-CD1 4.16Å; R49-L121 HydrophobicContact CG-CD1 4.36Å; W79-L121 PolarHBondContact NE1-O 3.28Å; F82-L121 HydrophobicContact CE2-CD2 4.46Å; E119-L121 PolarHBondContact O-N 3.49Å
122F97Very high96.3Very high90 Ų9054.5 Ų54.540%0.39530%0.304SS..SBendtrans-129.265.4179.3-62.8-84.2000108.4V47 W79 C120 T124 F130V47-F122 HydrophobicContact CG2-CE2 3.7Å; V47-F122 HydrophobicContact CG2-CZ 3.51Å; W79-F122 AromaticContact CH2-CE1 3.81Å; W79-F122 HydrophobicContact CH2-CE1 3.81Å; W79-F122 HydrophobicContact CH2-CZ 4.02Å; W79-F122 HydrophobicContact CZ2-CD1 4Å; W79-F122 AromaticContact CZ2-CE1 3.37Å; W79-F122 HydrophobicContact CZ2-CE1 3.37Å; W79-F122 HydrophobicContact CZ2-CE2 4.41Å; W79-F122 AromaticContact CZ2-CZ 3.61Å; W79-F122 HydrophobicContact CZ2-CZ 3.61Å; C120-F122 PolarHBondContact O-N 3.06Å; C120-F122 PolarHBondContact SG-O 2.95Å; C120-F122 VanDerWaalsContact SG-O 3.36Å; F122-T124 PolarHBondContact O-N 3.01Å; F122-F130 HydrophobicContact CB-CD1 4.42Å; F122-F130 HydrophobicContact CB-CE1 3.94Å; F122-F130 AromaticContact CD1-CE1 3.77Å; F122-F130 HydrophobicContact CD1-CE1 3.77Å; F122-F130 AromaticContact CD1-CZ 3.78Å; F122-F130 HydrophobicContact CD1-CZ 3.78Å; F122-F130 HydrophobicContact CE1-CZ 4.47Å; F122-F130 HydrophobicContact CG-CE1 4.33Å
123P97.3Very high96.2Very high20 Ų2055.7 Ų55.713%0.1331%0.311CS..  trans-64.3135.4-179.831.4-34.6000108.3F115 C120 F130 C131F115-P123 HydrophobicContact CB-CG 4.16Å; C120-P123 WeakPolarHBondContact O-CD 3.44Å; P123-F130 CarbonylContact O-C 3.49Å; P123-F130 WeakPolarHBondContact O-CA 3.47Å; P123-C131 HydrophobicContact CB-CB 3.97Å; P123-C131 HydrophobicContact CG-CB 4.12Å; P123-C131 PolarHBondContact O-N 2.75Å
124T97.2Very high96.1Very high74 Ų7461.8 Ų61.845%0.45434%0.339SS..BIsolated β-bridgetrans-128.5143.6-177.953.30000112.5F122 N129 F130F122-T124 PolarHBondContact O-N 3.01Å; T124-N129 CarbonylContact C-O 3.54Å; T124-N129 WeakPolarHBondContact CA-O 3.31Å; T124-N129 WeakPolarHBondContact CB-O 3.42Å; T124-F130 HydrophobicContact CG2-CD1 3.9Å; T124-F130 HydrophobicContact CG2-CE1 4.28Å
125D94.5Very high96.1Very high59 Ų5962.3 Ų62.332%0.31634%0.342SS..  trans-79-179.517372.48000111.8N127 G128 N129 C131D125-N127 PolarHBondContact O-N 2.85Å; D125-N127 WeakPolarHBondContact OD1-CA 3.26Å; D125-N127 WeakPolarHBondContact OD1-CB 3.44Å; D125-N127 PolarHBondContact OD1-N 3.16Å; D125-G128 PolarHBondContact O-N 2.99Å; D125-G128 PolarHBondContact OD1-N 2.94Å; D125-N129 PolarHBondContact N-O 2.95Å; D125-N129 PolarHBondContact OD1-N 2.9Å; D125-C131 PolarHBondContact N-SG 3Å; D125-C131 VanDerWaalsContact N-SG 3.39Å
126S94.9Very high96.1Very high123 Ų12364.8 Ų64.886%0.8636%0.359SS*.THydrogen-bonded Turntrans-64.5-16.6177.951.80000114.2
127N94.4Very high96.1Very high127 Ų12760 Ų6068%0.67934%0.336SS*.THydrogen-bonded Turntrans-94.5-1.4176.6-60.2-50.5000112.3D125 N129D125-N127 PolarHBondContact O-N 2.85Å; D125-N127 WeakPolarHBondContact OD1-CA 3.26Å; D125-N127 WeakPolarHBondContact OD1-CB 3.44Å; D125-N127 PolarHBondContact OD1-N 3.16Å; N127-N129 VanDerWaalsContact C-N 3.28Å; N127-N129 PolarHBondContact O-N 3.17Å
128G94Very high96.2Very high26 Ų2657.2 Ų57.227%0.26833%0.327SS..SBendtrans77.68.9-177.600000114.6D125 K297D125-G128 PolarHBondContact O-N 2.99Å; D125-G128 PolarHBondContact OD1-N 2.94Å; G128-K297 VanDerWaalsContact O-CD 3.31Å; G128-K297 WeakPolarHBondContact O-CD 3.37Å; G128-K297 WeakPolarHBondContact O-CE 3.46Å
129N96.5Very high96.4Very high42 Ų4260 Ų6023%0.22533%0.333CS..  trans-75.2157168-61.6-51.7000109.3T124 D125 N127 K297T124-N129 CarbonylContact C-O 3.54Å; T124-N129 WeakPolarHBondContact CA-O 3.31Å; T124-N129 WeakPolarHBondContact CB-O 3.42Å; D125-N129 PolarHBondContact N-O 2.95Å; D125-N129 PolarHBondContact OD1-N 2.9Å; N127-N129 VanDerWaalsContact C-N 3.28Å; N127-N129 PolarHBondContact O-N 3.17Å; N129-K297 WeakPolarHBondContact CA-O 3.41Å
130F97Very high96.8Very high23 Ų2351.8 Ų51.810%0.10129%0.294CS..BIsolated β-bridgetrans-68.7136.8173.4-63.2-46000110.2F115 F122 P123 T124 V132 K297 M298F115-F130 HydrophobicContact CD1-CB 4.22Å; F115-F130 HydrophobicContact CE1-CB 3.99Å; F115-F130 AromaticContact CE1-CD2 3.89Å; F115-F130 HydrophobicContact CE1-CD2 3.89Å; F115-F130 HydrophobicContact CE1-CG 4.22Å; F115-F130 HydrophobicContact CE2-CB 4.45Å; F115-F130 AromaticContact CE2-CD2 3.9Å; F115-F130 HydrophobicContact CE2-CD2 3.9Å; F115-F130 HydrophobicContact CE2-CE2 4.26Å; F115-F130 HydrophobicContact CE2-CG 4.08Å; F115-F130 HydrophobicContact CZ-CB 4.11Å; F115-F130 AromaticContact CZ-CD2 3.34Å; F115-F130 HydrophobicContact CZ-CD2 3.34Å; F115-F130 AromaticContact CZ-CE2 3.87Å; F115-F130 HydrophobicContact CZ-CE2 3.87Å; F115-F130 AromaticContact CZ-CG 3.83Å; F115-F130 HydrophobicContact CZ-CG 3.83Å; F122-F130 HydrophobicContact CB-CD1 4.42Å; F122-F130 HydrophobicContact CB-CE1 3.94Å; F122-F130 AromaticContact CD1-CE1 3.77Å; F122-F130 HydrophobicContact CD1-CE1 3.77Å; F122-F130 AromaticContact CD1-CZ 3.78Å; F122-F130 HydrophobicContact CD1-CZ 3.78Å; F122-F130 HydrophobicContact CE1-CZ 4.47Å; F122-F130 HydrophobicContact CG-CE1 4.33Å; P123-F130 CarbonylContact O-C 3.49Å; P123-F130 WeakPolarHBondContact O-CA 3.47Å; T124-F130 HydrophobicContact CG2-CD1 3.9Å; T124-F130 HydrophobicContact CG2-CE1 4.28Å; F130-V132 PolarHBondContact O-N 3.32Å; F130-V132 VanDerWaalsContact O-N 3.09Å; F130-K297 HydrophobicContact CD1-CB 4.34Å; F130-K297 HydrophobicContact CD2-CB 3.64Å; F130-K297 HydrophobicContact CE1-CB 4.28Å; F130-K297 HydrophobicContact CE1-CD 3.96Å; F130-K297 HydrophobicContact CE2-CB 3.61Å; F130-K297 HydrophobicContact CE2-CD 4.47Å; F130-K297 HydrophobicContact CG-CB 4.03Å; F130-K297 HydrophobicContact CZ-CB 3.94Å; F130-K297 HydrophobicContact CZ-CD 3.93Å; F130-K297 PolarHBondContact N-O 3.46Å; F130-M298 HydrophobicContact CD2-CB 4.08Å; F130-M298 HydrophobicContact CD2-CG 4.39Å
131C97.1Very high96.9Very high25 Ų2548.4 Ų48.417%0.16927%0.271CS..  trans-68.5107.3168-62.60000108F115 Q116 P123 D125F115-C131 WeakPolarHBondContact CA-O 3.45Å; Q116-C131 HydrophobicContact CB-CB 4.1Å; Q116-C131 HydrophobicContact CG-CB 3.88Å; Q116-C131 PolarHBondContact N-O 2.91Å; P123-C131 HydrophobicContact CB-CB 3.97Å; P123-C131 HydrophobicContact CG-CB 4.12Å; P123-C131 PolarHBondContact O-N 2.75Å; D125-C131 PolarHBondContact N-SG 3Å; D125-C131 VanDerWaalsContact N-SG 3.39Å
132V96Very high97Very high46 Ų4653.2 Ų53.228%0.27929%0.292SS..BIsolated β-bridgetrans-91.9158.1-178.3-64.80000111.7V113 P114 F115 Q116 F130 H301V113-V132 HydrophobicContact CG1-CB 4.47Å; V113-V132 HydrophobicContact CG1-CG1 3.77Å; P114-V132 WeakPolarHBondContact O-CA 3.42Å; F115-V132 HydrophobicContact CD1-CG1 4.25Å; Q116-V132 WeakPolarHBondContact CG-O 3.09Å; F130-V132 PolarHBondContact O-N 3.32Å; F130-V132 VanDerWaalsContact O-N 3.09Å; V132-H301 HydrophobicContact CG1-CB 4.26Å
133D96.6Very high97.1Very high26 Ų2650.6 Ų50.614%0.13928%0.281CS..  trans-122.2157.1173.8-163.11.3000109R84 P114 H301R84-D133 IonicContact CZ-OD1 2.68Å; R84-D133 IonicContact CZ-OD2 3.7Å; R84-D133 IonicContact NE-OD1 3.46Å; R84-D133 IonicContact NE-OD2 3.07Å; R84-D133 PolarHBondContact NE-OD2 3.04Å; R84-D133 VanDerWaalsContact NH2-CG 3.34Å; R84-D133 IonicContact NH2-OD1 2.92Å; R84-D133 PolarHBondContact NH2-OD1 3.23Å; R84-D133 IonicContact NH2-OD2 2.76Å; R84-D133 PolarHBondContact NH2-OD2 3.13Å; R84-D133 VanDerWaalsContact NH2-OD2 3.12Å; P114-D133 HydrophobicContact CB-CB 4.06Å; P114-D133 WeakPolarHBondContact CB-O 3.43Å; P114-D133 WeakPolarHBondContact CG-O 3.38Å; P114-D133 PolarHBondContact O-N 3.2Å; D133-H301 PolarHBondContact O-NE2 2.63Å
134E96.4Very high97.2Very high128 Ų12849.7 Ų49.760%0.59828%0.275SS*.  trans-107.899.2-179.4-67.3-71.8171.300108.5H301E134-H301 IonicContact OE1-CD2 3.52Å; E134-H301 IonicContact OE1-NE2 2.74Å; E134-H301 IonicContact OE2-CE1 3.88Å; E134-H301 IonicContact OE2-NE2 3.16Å
135V98.1Very high97.3Very high10 Ų1046.7 Ų46.76%0.06126%0.256CS..  trans-130.5117.3-179.8-175.70000108.6F83 R84 P114 H137F83-V135 HydrophobicContact CB-CB 4.26Å; F83-V135 HydrophobicContact CB-CG1 4.41Å; F83-V135 HydrophobicContact CB-CG2 4.26Å; F83-V135 HydrophobicContact CD1-CB 4.49Å; R84-V135 HydrophobicContact CG-CG2 3.83Å; P114-V135 HydrophobicContact CB-CB 4.25Å; P114-V135 HydrophobicContact CB-CG2 4.19Å; P114-V135 HydrophobicContact CG-CB 3.94Å; P114-V135 HydrophobicContact CG-CG2 4.39Å; V135-H137 PolarHBondContact O-N 2.89Å
136P98.3Very high97.5Very high55 Ų5548.1 Ų48.136%0.35726%0.259SS..  trans-57.8132.2174.2-22.532.8000111.1E138 E139P136-E138 HydrophobicContact CB-CG 4.37Å; P136-E138 WeakPolarHBondContact CB-OE1 3.48Å; P136-E138 PolarHBondContact O-N 2.94Å; P136-E138 VanDerWaalsContact O-N 3.17Å; P136-E139 HydrophobicContact CB-CG 4.31Å; P136-E139 WeakPolarHBondContact O-CB 3.49Å; P136-E139 PolarHBondContact O-N 2.96Å
137H98.7Very high97.7Very high2 Ų242.3 Ų42.31%0.00922%0.219CC..Hα-helixtrans-59.7-32.8-174.1-65.1163.1000113.1F83 P112 V135 E139 T140 W141 F161 I169 E303F83-H137 AromaticContact CE1-CD2 3.92Å; P112-H137 PolarHBondContact O-NE2 2.88Å; V135-H137 PolarHBondContact O-N 2.89Å; H137-E139 VanDerWaalsContact C-N 3.25Å; H137-E139 PolarHBondContact O-N 3.08Å; H137-T140 PolarHBondContact O-N 3.31Å; H137-W141 WeakPolarHBondContact O-CB 3.13Å; H137-W141 PolarHBondContact O-N 3.3Å; H137-F161 AromaticContact CE1-CE1 3.84Å; H137-F161 AromaticContact ND1-CE1 3.56Å; H137-I169 HydrophobicContact CB-CD1 3.59Å; H137-I169 HydrophobicContact CB-CG1 4.45Å; H137-E303 IonicContact CE1-OE2 3.98Å; H137-E303 PolarHBondContact CE1-OE2 2.87Å; H137-E303 VanDerWaalsContact CE1-OE2 3.3Å
138E98.4Very high97.9Very high45 Ų4538 Ų3821%0.2120%0.196CC..Hα-helixtrans-65.1-26.3178.263.1-86.6-16200113.3P136 K142 N168 H172P136-E138 HydrophobicContact CB-CG 4.37Å; P136-E138 WeakPolarHBondContact CB-OE1 3.48Å; P136-E138 PolarHBondContact O-N 2.94Å; P136-E138 VanDerWaalsContact O-N 3.17Å; E138-K142 VanDerWaalsContact O-CG 3.25Å; E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.38Å; E138-N168 PolarHBondContact OE2-ND2 2.95Å; E138-N168 VanDerWaalsContact OE2-ND2 3.09Å; E138-H172 HydrophobicContact CB-CB 3.63Å; E138-H172 HydrophobicContact CG-CB 4.46Å
139E98.8Very high98.1Very high85 Ų8541 Ų4140%0.39721%0.207SC..Hα-helixtrans-70.5-48.4174.2-67.5-173.7-162.300110.6P85 P136 H137 W141 K142 E143P85-E139 HydrophobicContact CG-CB 4.05Å; P136-E139 HydrophobicContact CB-CG 4.31Å; P136-E139 WeakPolarHBondContact O-CB 3.49Å; P136-E139 PolarHBondContact O-N 2.96Å; H137-E139 VanDerWaalsContact C-N 3.25Å; H137-E139 PolarHBondContact O-N 3.08Å; E139-W141 VanDerWaalsContact C-N 3.3Å; E139-W141 PolarHBondContact O-N 2.9Å; E139-K142 PolarHBondContact O-N 3.15Å; E139-E143 PolarHBondContact O-N 2.86Å
140T98.9Very high98.3Very high0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-60.5-41.7173-50.20000110.9L78 F83 V88 I109 H137 K142 E143 M144L78-T140 HydrophobicContact CD2-CG2 3.58Å; F83-T140 HydrophobicContact CD1-CG2 4.22Å; F83-T140 WeakPolarHBondContact CD1-OG1 3.46Å; F83-T140 HydrophobicContact CG-CG2 4.48Å; F83-T140 PolarHBondContact O-OG1 3.06Å; V88-T140 HydrophobicContact CG2-CG2 3.94Å; I109-T140 HydrophobicContact CD1-CG2 3.93Å; I109-T140 HydrophobicContact CG1-CG2 4.5Å; H137-T140 PolarHBondContact O-N 3.31Å; T140-K142 PolarHBondContact O-N 3.07Å; T140-E143 PolarHBondContact O-N 2.91Å; T140-M144 WeakPolarHBondContact O-CG 3.45Å; T140-M144 PolarHBondContact O-N 3.33Å
141W98.9Very high98.3Very high3 Ų343.6 Ų43.61%0.01123%0.227CC..Hα-helixtrans-62.7-42.7-179.7-167.9-97.5000112.2I109 H137 E139 E143 M144 E145 I156 L158 I169 I175 P177I109-W141 HydrophobicContact CD1-CE3 3.95Å; I109-W141 HydrophobicContact CD1-CZ3 4.45Å; H137-W141 WeakPolarHBondContact O-CB 3.13Å; H137-W141 PolarHBondContact O-N 3.3Å; E139-W141 VanDerWaalsContact C-N 3.3Å; E139-W141 PolarHBondContact O-N 2.9Å; W141-E143 PolarHBondContact O-N 3.5Å; W141-M144 CarbonylContact O-C 3.44Å; W141-M144 WeakPolarHBondContact O-CA 3.39Å; W141-M144 VanDerWaalsContact O-CB 3.32Å; W141-M144 WeakPolarHBondContact O-CB 3.31Å; W141-M144 PolarHBondContact O-N 3.48Å; W141-E145 VanDerWaalsContact CD1-OE1 3.29Å; W141-E145 PolarHBondContact NE1-OE1 2.94Å; W141-E145 VanDerWaalsContact NE1-OE1 3.08Å; W141-E145 WeakPolarHBondContact O-CG 3.22Å; W141-E145 PolarHBondContact O-N 2.79Å; W141-I156 HydrophobicContact CD2-CD1 4.47Å; W141-I156 HydrophobicContact CH2-CB 4.05Å; W141-I156 HydrophobicContact CH2-CD1 3.78Å; W141-I156 HydrophobicContact CH2-CG1 3.71Å; W141-I156 HydrophobicContact CZ2-CD1 3.4Å; W141-I156 VanDerWaalsContact CZ2-CD1 3.4Å; W141-I156 HydrophobicContact CZ2-CG1 3.68Å; W141-I156 HydrophobicContact CZ3-CD1 4.46Å; W141-L158 HydrophobicContact CE3-CD2 3.88Å; W141-L158 HydrophobicContact CH2-CD2 4.4Å; W141-L158 HydrophobicContact CZ3-CD2 3.47Å; W141-L158 VanDerWaalsContact CZ3-CD2 3.47Å; W141-L158 HydrophobicContact CZ3-CG 4.07Å; W141-I169 HydrophobicContact CB-CD1 3.82Å; W141-I169 HydrophobicContact CD2-CD1 4.3Å; W141-I169 HydrophobicContact CD2-CG2 3.69Å; W141-I169 HydrophobicContact CE3-CD1 4.36Å; W141-I169 HydrophobicContact CE3-CG2 4.09Å; W141-I169 HydrophobicContact CG-CD1 4.08Å; W141-I169 HydrophobicContact CG-CG2 4.01Å; W141-I169 HydrophobicContact CZ2-CG2 4.28Å; W141-I175 VanDerWaalsContact CZ2-O 3.3Å; W141-I175 WeakPolarHBondContact CZ2-O 3.28Å; W141-I175 PolarHBondContact NE1-O 3.17Å; W141-P177 HydrophobicContact CH2-CB 3.61Å; W141-P177 HydrophobicContact CH2-CG 3.5Å; W141-P177 VanDerWaalsContact CH2-CG 3.5Å; W141-P177 HydrophobicContact CZ2-CB 3.98Å; W141-P177 HydrophobicContact CZ2-CG 3.51Å; W141-P177 HydrophobicContact CZ3-CB 4.47Å; W141-P177 HydrophobicContact CZ3-CG 4.22Å
142K98.9Very high98.4Very high109 Ų10943.9 Ų43.947%0.47423%0.227SC..Hα-helixtrans-55.5-39.5174.9-77.1165.8-174.2170.10112.1E138 E139 T140 E145 K146E138-K142 VanDerWaalsContact O-CG 3.25Å; E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.38Å; E139-K142 PolarHBondContact O-N 3.15Å; T140-K142 PolarHBondContact O-N 3.07Å; K142-E145 PolarHBondContact O-N 2.85Å; K142-K146 WeakPolarHBondContact O-CG 3.3Å; K142-K146 PolarHBondContact O-N 3.15Å
143E98.9Very high98.6Very high35 Ų3541.7 Ų41.716%0.16421%0.214CC..Hα-helixtrans-71.6-37.4175.1-60.7-50.8129.500112.5P85 V88 E139 T140 W141 E145 K146 L147P85-E143 HydrophobicContact CB-CG 3.61Å; P85-E143 HydrophobicContact CG-CG 4.5Å; V88-E143 HydrophobicContact CB-CB 3.67Å; V88-E143 HydrophobicContact CB-CG 4.4Å; V88-E143 HydrophobicContact CG1-CB 3.75Å; V88-E143 HydrophobicContact CG2-CB 3.87Å; V88-E143 HydrophobicContact CG2-CG 4.35Å; E139-E143 PolarHBondContact O-N 2.86Å; T140-E143 PolarHBondContact O-N 2.91Å; W141-E143 PolarHBondContact O-N 3.5Å; E143-E145 PolarHBondContact O-N 3.35Å; E143-K146 PolarHBondContact O-N 2.85Å; E143-K146 VanDerWaalsContact O-N 3.15Å; E143-K146 WeakPolarHBondContact OE1-CE 3.4Å; E143-K146 IonicContact OE1-NZ 3.02Å; E143-K146 PolarHBondContact OE1-NZ 3.18Å; E143-K146 WeakPolarHBondContact OE2-CD 3.25Å; E143-K146 IonicContact OE2-NZ 2.9Å; E143-K146 PolarHBondContact OE2-NZ 3.31Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.34Å
144M98.9Very high98.7Very high0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-57.6-39.5172.3-64.8-72.3-72.100111.3L78 V88 Y107 I109 T140 W141 L147 V148 I156L78-M144 HydrophobicContact CB-SD 4.4Å; L78-M144 HydrophobicContact CD2-SD 4Å; V88-M144 HydrophobicContact CG1-CG 4.31Å; V88-M144 HydrophobicContact CG1-SD 3.88Å; Y107-M144 HydrophobicContact CD1-CE 3.38Å; Y107-M144 HydrophobicContact CD1-SD 3.62Å; Y107-M144 HydrophobicContact CE1-CE 4.02Å; Y107-M144 HydrophobicContact CE1-SD 3.73Å; Y107-M144 HydrophobicContact CG-CE 4.06Å; Y107-M144 WeakPolarHBondContact O-CE 3.33Å; I109-M144 HydrophobicContact CD1-CG 4.31Å; I109-M144 HydrophobicContact CG1-CE 4.1Å; I109-M144 HydrophobicContact CG1-CG 4.19Å; I109-M144 HydrophobicContact CG1-SD 4.36Å; T140-M144 WeakPolarHBondContact O-CG 3.45Å; T140-M144 PolarHBondContact O-N 3.33Å; W141-M144 CarbonylContact O-C 3.44Å; W141-M144 WeakPolarHBondContact O-CA 3.39Å; W141-M144 VanDerWaalsContact O-CB 3.32Å; W141-M144 WeakPolarHBondContact O-CB 3.31Å; W141-M144 PolarHBondContact O-N 3.48Å; M144-L147 WeakPolarHBondContact O-CB 3.48Å; M144-L147 PolarHBondContact O-N 2.9Å; M144-L147 HydrophobicContact SD-CD1 4.21Å; M144-V148 PolarHBondContact O-N 3.42Å; M144-I156 HydrophobicContact CB-CD1 3.99Å; M144-I156 HydrophobicContact CB-CG2 4.23Å; M144-I156 HydrophobicContact CE-CB 4.34Å; M144-I156 HydrophobicContact CE-CG2 4.08Å
145E99Very high98.8Very high12 Ų1237.8 Ų37.86%0.05619%0.194CC..Hα-helixtrans-64.1-40.8175.5-64.3-176.5159.400112.6W141 K142 E143 L147 V148 D149 I156 C173 R174 I175W141-E145 VanDerWaalsContact CD1-OE1 3.29Å; W141-E145 PolarHBondContact NE1-OE1 2.94Å; W141-E145 VanDerWaalsContact NE1-OE1 3.08Å; W141-E145 WeakPolarHBondContact O-CG 3.22Å; W141-E145 PolarHBondContact O-N 2.79Å; K142-E145 PolarHBondContact O-N 2.85Å; E143-E145 PolarHBondContact O-N 3.35Å; E145-L147 PolarHBondContact O-N 3.47Å; E145-V148 WeakPolarHBondContact O-CA 3.43Å; E145-V148 VanDerWaalsContact O-CB 3.29Å; E145-V148 WeakPolarHBondContact O-CB 3.06Å; E145-V148 PolarHBondContact O-N 2.73Å; E145-D149 PolarHBondContact O-N 2.83Å; E145-D149 VanDerWaalsContact O-N 3.08Å; E145-I156 HydrophobicContact CB-CD1 4.47Å; E145-I156 HydrophobicContact CG-CD1 3.86Å; E145-C173 WeakPolarHBondContact OE1-CA 3.5Å; E145-R174 WeakPolarHBondContact OE1-CA 2.97Å; E145-R174 PolarHBondContact OE1-N 3.26Å; E145-R174 IonicContact OE2-NE 2.94Å; E145-R174 IonicContact OE2-NH2 2.65Å; E145-I175 HydrophobicContact CB-CD1 4.09Å; E145-I175 HydrophobicContact CB-CG1 4.42Å; E145-I175 HydrophobicContact CG-CB 4.01Å; E145-I175 HydrophobicContact CG-CD1 4.33Å; E145-I175 HydrophobicContact CG-CG1 4.2Å; E145-I175 PolarHBondContact OE1-N 3.08Å
146K98.9Very high98.8Very high89 Ų8937.4 Ų37.439%0.38719%0.191SC..Hα-helixtrans-62.1-31.2175.2-65.5179.6-160.8165.20112.4K142 E143 V148 D149 D150K142-K146 WeakPolarHBondContact O-CG 3.3Å; K142-K146 PolarHBondContact O-N 3.15Å; E143-K146 PolarHBondContact O-N 2.85Å; E143-K146 VanDerWaalsContact O-N 3.15Å; E143-K146 WeakPolarHBondContact OE1-CE 3.4Å; E143-K146 IonicContact OE1-NZ 3.02Å; E143-K146 PolarHBondContact OE1-NZ 3.18Å; E143-K146 WeakPolarHBondContact OE2-CD 3.25Å; E143-K146 IonicContact OE2-NZ 2.9Å; E143-K146 PolarHBondContact OE2-NZ 3.31Å; K146-V148 PolarHBondContact O-N 2.9Å; K146-D149 PolarHBondContact O-N 3.5Å; K146-D150 WeakPolarHBondContact O-CB 3.43Å; K146-D150 PolarHBondContact O-N 2.83Å
147L99Very high98.9Very high1 Ų134.8 Ų34.81%0.00517%0.174CC..Hα-helixtrans-63.6-31.2173.4-55.6179.5000111.9V88 R89 C92 Y107 E143 M144 E145 G151 L152 V153V88-L147 HydrophobicContact CG1-CD1 3.99Å; R89-L147 HydrophobicContact CB-CD2 4.15Å; R89-L147 HydrophobicContact CG-CD2 4.33Å; C92-L147 HydrophobicContact CB-CD1 3.72Å; C92-L147 HydrophobicContact CB-CD2 4.27Å; Y107-L147 HydrophobicContact CD1-CD1 3.77Å; Y107-L147 HydrophobicContact CE1-CD1 3.84Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.34Å; M144-L147 WeakPolarHBondContact O-CB 3.48Å; M144-L147 PolarHBondContact O-N 2.9Å; M144-L147 HydrophobicContact SD-CD1 4.21Å; E145-L147 PolarHBondContact O-N 3.47Å; L147-G151 PolarHBondContact O-N 2.95Å; L147-L152 HydrophobicContact CB-CB 4.49Å; L147-L152 HydrophobicContact CD2-CD1 3.98Å; L147-L152 PolarHBondContact O-N 2.79Å; L147-V153 HydrophobicContact CB-CG1 4.2Å; L147-V153 HydrophobicContact CB-CG2 3.7Å; L147-V153 PolarHBondContact O-N 2.87Å; L147-V153 VanDerWaalsContact O-N 3.16Å
148V98.9Very high98.9Very high35 Ų3534.7 Ų34.721%0.21217%0.174CC..Hα-helixtrans-72-48.4174.5-177.50000110.2M144 E145 K146 D150 G151 V153 I156 I175M144-V148 PolarHBondContact O-N 3.42Å; E145-V148 WeakPolarHBondContact O-CA 3.43Å; E145-V148 VanDerWaalsContact O-CB 3.29Å; E145-V148 WeakPolarHBondContact O-CB 3.06Å; E145-V148 PolarHBondContact O-N 2.73Å; K146-V148 PolarHBondContact O-N 2.9Å; V148-D150 PolarHBondContact O-N 3.43Å; V148-G151 WeakPolarHBondContact O-CA 3.11Å; V148-G151 PolarHBondContact O-N 2.85Å; V148-V153 WeakPolarHBondContact CA-O 3.15Å; V148-V153 HydrophobicContact CB-CG2 4.43Å; V148-V153 HydrophobicContact CG2-CG2 3.67Å; V148-I156 HydrophobicContact CG2-CB 4.43Å; V148-I156 HydrophobicContact CG2-CD1 4.13Å; V148-I156 HydrophobicContact CG2-CG1 4.05Å; V148-I156 HydrophobicContact CG2-CG2 3.66Å; V148-I175 HydrophobicContact CB-CD1 3.81Å; V148-I175 HydrophobicContact CG1-CD1 3.93Å; V148-I175 HydrophobicContact CG2-CD1 4.15Å
149D98.9Very high98.9Very high91 Ų9132.5 Ų32.549%0.48716%0.164SC..Hα-helixtrans-58.3-39.4-179.1-60.8-33.7000111.3E145 K146 G151 R174E145-D149 PolarHBondContact O-N 2.83Å; E145-D149 VanDerWaalsContact O-N 3.08Å; K146-D149 PolarHBondContact O-N 3.5Å; D149-G151 PolarHBondContact O-N 3.26Å; D149-R174 VanDerWaalsContact CG-NH2 3.26Å; D149-R174 IonicContact OD1-CZ 3.62Å; D149-R174 IonicContact OD1-NH1 2.67Å; D149-R174 PolarHBondContact OD1-NH1 2.96Å; D149-R174 IonicContact OD1-NH2 3.91Å; D149-R174 PolarHBondContact OD1-NH2 3.2Å; D149-R174 IonicContact OD2-CZ 3.3Å; D149-R174 IonicContact OD2-NH1 2.95Å; D149-R174 IonicContact OD2-NH2 3.98Å; D149-R174 PolarHBondContact OD2-NH2 3.36Å
150D98.8Very high98.9Very high94 Ų9428.6 Ų28.650%0.50315%0.146SC..THydrogen-bonded Turntrans-80.7-1.2177.6-73.66.7000113.9R89 K146 V148 L152R89-D150 IonicContact CZ-OD2 3.96Å; R89-D150 IonicContact NH1-OD2 3.72Å; R89-D150 PolarHBondContact NH1-OD2 3.27Å; R89-D150 IonicContact NH2-OD2 3.77Å; R89-D150 PolarHBondContact NH2-OD2 3.5Å; K146-D150 WeakPolarHBondContact O-CB 3.43Å; K146-D150 PolarHBondContact O-N 2.83Å; V148-D150 PolarHBondContact O-N 3.43Å; D150-L152 VanDerWaalsContact C-N 3.25Å; D150-L152 HydrophobicContact CB-CG 4.39Å; D150-L152 PolarHBondContact O-N 3.45Å
151G98.7Very high98.9Very high25 Ų2528.7 Ų28.726%0.25815%0.146SC..THydrogen-bonded Turntrans74.76.6175.300000115.8Y103 L147 V148 D149 V153 K154Y103-G151 WeakPolarHBondContact CB-O 3.32Å; L147-G151 PolarHBondContact O-N 2.95Å; V148-G151 WeakPolarHBondContact O-CA 3.11Å; V148-G151 PolarHBondContact O-N 2.85Å; D149-G151 PolarHBondContact O-N 3.26Å; G151-V153 VanDerWaalsContact C-N 3.28Å; G151-V153 PolarHBondContact O-N 2.84Å; G151-K154 PolarHBondContact O-NZ 3.43Å
152L98.9Very high98.9Very high30 Ų3028.6 Ų28.616%0.15715%0.146CC..SBendtrans-66.9-29.6175.4-63.9-177.5000112.1E93 L96 Y103 L104 L147 D150E93-L152 HydrophobicContact CG-CD1 4.29Å; L96-L152 HydrophobicContact CD1-CB 4.15Å; L96-L152 HydrophobicContact CD1-CD2 3.96Å; Y103-L152 CarbonylContact C-O 3.51Å; Y103-L152 WeakPolarHBondContact CA-O 3.37Å; Y103-L152 WeakPolarHBondContact CB-O 3.34Å; L104-L152 PolarHBondContact N-O 3.48Å; L147-L152 HydrophobicContact CB-CB 4.49Å; L147-L152 HydrophobicContact CD2-CD1 3.98Å; L147-L152 PolarHBondContact O-N 2.79Å; D150-L152 VanDerWaalsContact C-N 3.25Å; D150-L152 HydrophobicContact CB-CG 4.39Å; D150-L152 PolarHBondContact O-N 3.45Å
153V98.9Very high98.9Very high0 Ų026 Ų260%014%0.135CC..BIsolated β-bridgetrans-133.9145.5174-50.60000109.7L104 Y107 L147 V148 G151 I156L104-V153 HydrophobicContact CB-CG1 4.15Å; L104-V153 HydrophobicContact CD1-CG1 4.35Å; L104-V153 CarbonylContact O-C 3.6Å; L104-V153 WeakPolarHBondContact O-CA 3.48Å; Y107-V153 HydrophobicContact CD1-CG1 4.33Å; Y107-V153 HydrophobicContact CG-CG1 4.18Å; L147-V153 HydrophobicContact CB-CG1 4.2Å; L147-V153 HydrophobicContact CB-CG2 3.7Å; L147-V153 PolarHBondContact O-N 2.87Å; L147-V153 VanDerWaalsContact O-N 3.16Å; V148-V153 WeakPolarHBondContact CA-O 3.15Å; V148-V153 HydrophobicContact CB-CG2 4.43Å; V148-V153 HydrophobicContact CG2-CG2 3.67Å; G151-V153 VanDerWaalsContact C-N 3.28Å; G151-V153 PolarHBondContact O-N 2.84Å; V153-I156 HydrophobicContact CG2-CG2 3.57Å
154K98.9Very high98.8Very high71 Ų7128.7 Ų28.731%0.30914%0.143SC..SBendtrans-91.9-25.6179.6-55.5-54.3-176.2-158.70113.3N8 Y103 L104 G151N8-K154 PolarHBondContact ND2-O 3.33Å; Y103-K154 HydrophobicContact CD2-CD 4.27Å; Y103-K154 HydrophobicContact CD2-CG 3.73Å; Y103-K154 HydrophobicContact CE2-CG 4.07Å; L104-K154 PolarHBondContact O-N 3.49Å; G151-K154 PolarHBondContact O-NZ 3.43Å
155S98.9Very high98.8Very high2 Ų228.8 Ų28.81%0.01414%0.143CC..  trans-146149.3178.6-37.40000108.8M6 N8 D105 L106 Y107M6-S155 WeakPolarHBondContact CE-OG 3.23Å; N8-S155 WeakPolarHBondContact ND2-CB 3.45Å; N8-S155 PolarHBondContact ND2-OG 3.28Å; D105-S155 VanDerWaalsContact O-CB 3.22Å; D105-S155 WeakPolarHBondContact O-CB 3.5Å; D105-S155 PolarHBondContact O-N 2.69Å; D105-S155 PolarHBondContact O-OG 3.47Å; L106-S155 CarbonylContact C-O 3.51Å; L106-S155 WeakPolarHBondContact CA-O 3.39Å; Y107-S155 PolarHBondContact N-O 3.33Å
156I99Very high98.8Very high1 Ų128.2 Ų28.21%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-123.8151.1173.853.6175000110Y107 W141 M144 E145 V148 V153 I175 A178Y107-I156 VanDerWaalsContact O-CA 3.28Å; Y107-I156 WeakPolarHBondContact O-CA 3.25Å; W141-I156 HydrophobicContact CD2-CD1 4.47Å; W141-I156 HydrophobicContact CH2-CB 4.05Å; W141-I156 HydrophobicContact CH2-CD1 3.78Å; W141-I156 HydrophobicContact CH2-CG1 3.71Å; W141-I156 HydrophobicContact CZ2-CD1 3.4Å; W141-I156 VanDerWaalsContact CZ2-CD1 3.4Å; W141-I156 HydrophobicContact CZ2-CG1 3.68Å; W141-I156 HydrophobicContact CZ3-CD1 4.46Å; M144-I156 HydrophobicContact CB-CD1 3.99Å; M144-I156 HydrophobicContact CB-CG2 4.23Å; M144-I156 HydrophobicContact CE-CB 4.34Å; M144-I156 HydrophobicContact CE-CG2 4.08Å; E145-I156 HydrophobicContact CB-CD1 4.47Å; E145-I156 HydrophobicContact CG-CD1 3.86Å; V148-I156 HydrophobicContact CG2-CB 4.43Å; V148-I156 HydrophobicContact CG2-CD1 4.13Å; V148-I156 HydrophobicContact CG2-CG1 4.05Å; V148-I156 HydrophobicContact CG2-CG2 3.66Å; V153-I156 HydrophobicContact CG2-CG2 3.57Å; I156-I175 HydrophobicContact CD1-CB 4.38Å; I156-I175 HydrophobicContact CD1-CG2 4.32Å; I156-I175 HydrophobicContact CG1-CG2 4.31Å; I156-A178 PolarHBondContact O-N 3.1Å
157G98.9Very high98.8Very high0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-157.9-169.4-177.400000113Y107 L108 I109 N179Y107-G157 PolarHBondContact O-N 2.88Å; L108-G157 WeakPolarHBondContact CA-O 3.29Å; L108-G157 VanDerWaalsContact CD2-C 3.43Å; L108-G157 VanDerWaalsContact CD2-CA 3.44Å; I109-G157 PolarHBondContact N-O 3.13Å; G157-N179 VanDerWaalsContact CA-O 3.28Å; G157-N179 WeakPolarHBondContact CA-O 3.35Å
158L98.9Very high98.8Very high0 Ų029.1 Ų29.10%015%0.148CC..EExtended strand (participates in β ladder)trans-124.7151.5-173-59.1173.3000109.9I109 W141 F161 I166 I169 P177 N179 L180 Q181I109-L158 HydrophobicContact CB-CD2 4.42Å; I109-L158 HydrophobicContact CD1-CD2 4.22Å; I109-L158 HydrophobicContact CG1-CD2 4.49Å; W141-L158 HydrophobicContact CE3-CD2 3.88Å; W141-L158 HydrophobicContact CH2-CD2 4.4Å; W141-L158 HydrophobicContact CZ3-CD2 3.47Å; W141-L158 VanDerWaalsContact CZ3-CD2 3.47Å; W141-L158 HydrophobicContact CZ3-CG 4.07Å; L158-F161 HydrophobicContact CB-CB 4.16Å; L158-F161 HydrophobicContact CB-CD1 4.47Å; L158-F161 HydrophobicContact CB-CD2 3.84Å; L158-F161 HydrophobicContact CB-CE2 4.4Å; L158-F161 HydrophobicContact CB-CG 3.91Å; L158-F161 HydrophobicContact CD1-CB 4.3Å; L158-F161 HydrophobicContact CD1-CD1 3.95Å; L158-F161 HydrophobicContact CD1-CG 4.1Å; L158-F161 HydrophobicContact CD2-CD1 3.95Å; L158-F161 HydrophobicContact CD2-CD2 4.14Å; L158-F161 HydrophobicContact CD2-CE1 3.8Å; L158-F161 HydrophobicContact CD2-CE2 3.98Å; L158-F161 HydrophobicContact CD2-CG 4.16Å; L158-F161 HydrophobicContact CD2-CZ 3.83Å; L158-F161 HydrophobicContact CG-CD1 4.34Å; L158-F161 HydrophobicContact CG-CD2 4.45Å; L158-F161 HydrophobicContact CG-CG 4.27Å; L158-I166 HydrophobicContact CD1-CG1 3.96Å; L158-I169 HydrophobicContact CD1-CG1 4.32Å; L158-I169 HydrophobicContact CD2-CG1 4.37Å; L158-P177 HydrophobicContact CD1-CB 4.17Å; L158-P177 HydrophobicContact CD1-CG 3.91Å; L158-P177 HydrophobicContact CG-CB 4.14Å; L158-P177 HydrophobicContact CG-CG 4.22Å; L158-N179 PolarHBondContact N-O 3.16Å; L158-L180 HydrophobicContact CB-CD1 3.99Å; L158-L180 CarbonylContact O-C 3.59Å; L158-L180 VanDerWaalsContact O-CA 3.31Å; L158-L180 WeakPolarHBondContact O-CA 3.47Å; L158-Q181 PolarHBondContact O-N 3Å
159S98.9Very high98.8Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-135.5132.6172179.70000110.4I109 H110 W111 F161 Q181I109-S159 WeakPolarHBondContact O-CA 3.31Å; I109-S159 VanDerWaalsContact O-CB 3.3Å; I109-S159 WeakPolarHBondContact O-CB 3.33Å; I109-S159 PolarHBondContact O-N 3.42Å; H110-S159 CarbonylContact C-O 3.48Å; H110-S159 CarbonylContact O-C 3.59Å; H110-S159 WeakPolarHBondContact O-CB 3.43Å; H110-S159 PolarHBondContact O-OG 2.84Å; H110-S159 VanDerWaalsContact O-OG 3.13Å; W111-S159 WeakPolarHBondContact CA-O 3.18Å; S159-F161 VanDerWaalsContact O-CD2 3.27Å; S159-F161 WeakPolarHBondContact O-CD2 3.4Å; S159-F161 PolarHBondContact O-N 3.07Å; S159-Q181 CarbonylContact C-O 3.51Å; S159-Q181 WeakPolarHBondContact CA-O 3.26Å; S159-Q181 PolarHBondContact OG-O 3.04Å
160N98.7Very high98.8Very high3 Ų325.5 Ų25.52%0.01613%0.127CC..SBendtrans63.516.7-176.9-55.4-67.4000116.1H110 W111 Q181 Y207 P305H110-N160 PolarHBondContact O-ND2 3.02Å; W111-N160 HydrophobicContact CD2-CB 3.73Å; W111-N160 HydrophobicContact CE3-CB 3.44Å; W111-N160 VanDerWaalsContact CE3-CB 3.44Å; W111-N160 HydrophobicContact CG-CB 4.39Å; W111-N160 HydrophobicContact CH2-CB 4.06Å; W111-N160 HydrophobicContact CZ2-CB 4.32Å; W111-N160 WeakPolarHBondContact CZ2-ND2 3.3Å; W111-N160 HydrophobicContact CZ3-CB 3.64Å; W111-N160 PolarHBondContact NE1-ND2 2.92Å; N160-Q181 PolarHBondContact N-O 3.43Å; N160-Y207 WeakPolarHBondContact OD1-CE1 3.39Å; N160-Y207 PolarHBondContact OD1-OH 2.96Å; N160-P305 WeakPolarHBondContact O-CB 3.28Å; N160-P305 VanDerWaalsContact O-CG 3.3Å; N160-P305 WeakPolarHBondContact O-CG 3.27Å
161F98.8Very high98.8Very high1 Ų128.7 Ų28.70%0.00414%0.137CC..  trans-79.4142.4174.2-79.2-123.1000110.4I109 P112 H137 L158 S159 Q165 I166 I169 L180I109-F161 HydrophobicContact CB-CE2 3.94Å; I109-F161 HydrophobicContact CB-CZ 4.14Å; I109-F161 HydrophobicContact CD1-CZ 4.36Å; I109-F161 HydrophobicContact CG2-CE2 3.74Å; I109-F161 HydrophobicContact CG2-CZ 3.83Å; P112-F161 HydrophobicContact CB-CD1 4.13Å; P112-F161 HydrophobicContact CB-CD2 3.81Å; P112-F161 HydrophobicContact CB-CE1 3.91Å; P112-F161 HydrophobicContact CB-CE2 3.6Å; P112-F161 HydrophobicContact CB-CG 4.06Å; P112-F161 HydrophobicContact CB-CZ 3.63Å; P112-F161 HydrophobicContact CG-CD2 4.25Å; P112-F161 HydrophobicContact CG-CE2 4.38Å; H137-F161 AromaticContact CE1-CE1 3.84Å; H137-F161 AromaticContact ND1-CE1 3.56Å; L158-F161 HydrophobicContact CB-CB 4.16Å; L158-F161 HydrophobicContact CB-CD1 4.47Å; L158-F161 HydrophobicContact CB-CD2 3.84Å; L158-F161 HydrophobicContact CB-CE2 4.4Å; L158-F161 HydrophobicContact CB-CG 3.91Å; L158-F161 HydrophobicContact CD1-CB 4.3Å; L158-F161 HydrophobicContact CD1-CD1 3.95Å; L158-F161 HydrophobicContact CD1-CG 4.1Å; L158-F161 HydrophobicContact CD2-CD1 3.95Å; L158-F161 HydrophobicContact CD2-CD2 4.14Å; L158-F161 HydrophobicContact CD2-CE1 3.8Å; L158-F161 HydrophobicContact CD2-CE2 3.98Å; L158-F161 HydrophobicContact CD2-CG 4.16Å; L158-F161 HydrophobicContact CD2-CZ 3.83Å; L158-F161 HydrophobicContact CG-CD1 4.34Å; L158-F161 HydrophobicContact CG-CD2 4.45Å; L158-F161 HydrophobicContact CG-CG 4.27Å; S159-F161 VanDerWaalsContact O-CD2 3.27Å; S159-F161 WeakPolarHBondContact O-CD2 3.4Å; S159-F161 PolarHBondContact O-N 3.07Å; F161-Q165 HydrophobicContact CB-CB 4.29Å; F161-Q165 HydrophobicContact CD1-CB 3.6Å; F161-Q165 HydrophobicContact CE1-CB 4.34Å; F161-Q165 HydrophobicContact CG-CB 4.31Å; F161-I166 HydrophobicContact CB-CD1 4.47Å; F161-I166 HydrophobicContact CB-CG1 3.91Å; F161-I169 HydrophobicContact CE1-CG1 4.33Å; F161-L180 HydrophobicContact CB-CD1 4.25Å
162N98.6Very high98.8Very high2 Ų231.9 Ų31.91%0.01114%0.144CC..  trans-91.1176.61737424.3000112.1R164 Q165 I166 P305 D308 Y310N162-R164 PolarHBondContact O-N 3.33Å; N162-R164 WeakPolarHBondContact OD1-CB 3.5Å; N162-R164 PolarHBondContact OD1-N 2.64Å; N162-R164 VanDerWaalsContact OD1-N 3.09Å; N162-Q165 PolarHBondContact O-N 2.95Å; N162-Q165 VanDerWaalsContact OD1-CG 3.23Å; N162-Q165 WeakPolarHBondContact OD1-CG 3.47Å; N162-Q165 PolarHBondContact OD1-N 2.74Å; N162-Q165 PolarHBondContact OD1-OE1 3.18Å; N162-I166 WeakPolarHBondContact O-CD1 3.33Å; N162-I166 VanDerWaalsContact O-CG1 3.23Å; N162-I166 WeakPolarHBondContact O-CG1 3.37Å; N162-I166 PolarHBondContact O-N 2.82Å; N162-P305 HydrophobicContact CB-CB 4.28Å; N162-P305 PolarHBondContact ND2-O 2.93Å; N162-D308 VanDerWaalsContact ND2-CG 3.32Å; N162-D308 PolarHBondContact ND2-OD2 2.94Å; N162-Y310 WeakPolarHBondContact CA-OXT 3.5Å; N162-Y310 VanDerWaalsContact CB-OXT 3.24Å; N162-Y310 WeakPolarHBondContact CB-OXT 3.39Å
163K98.7Very high98.7Very high55 Ų5531.9 Ų31.924%0.23915%0.147CC..Hα-helixtrans-56.5-48.4-179.4175.1160.3-178.1-70.50113.1Q165 I166 E167 Y196 Y310K163-Q165 VanDerWaalsContact C-N 3.3Å; K163-Q165 PolarHBondContact O-N 3.17Å; K163-I166 PolarHBondContact O-N 2.78Å; K163-E167 WeakPolarHBondContact CE-OE1 3.46Å; K163-E167 HydrophobicContact CG-CG 4.38Å; K163-E167 IonicContact NZ-OE1 3.54Å; K163-E167 PolarHBondContact NZ-OE1 2.85Å; K163-E167 IonicContact NZ-OE2 3.59Å; K163-E167 WeakPolarHBondContact O-CG 3.4Å; K163-E167 PolarHBondContact O-N 2.79Å; K163-Y196 HydrophobicContact CB-CD1 4.17Å; K163-Y196 HydrophobicContact CB-CE1 4.15Å; K163-Y196 HydrophobicContact CD-CD1 4.1Å; K163-Y196 HydrophobicContact CD-CD2 3.78Å; K163-Y196 HydrophobicContact CD-CE1 4.23Å; K163-Y196 HydrophobicContact CD-CE2 3.9Å; K163-Y196 HydrophobicContact CD-CG 3.88Å; K163-Y196 VanDerWaalsContact CE-CE2 3.42Å; K163-Y196 HydrophobicContact CG-CD1 4.02Å; K163-Y196 HydrophobicContact CG-CD2 4.35Å; K163-Y196 HydrophobicContact CG-CE1 3.77Å; K163-Y196 HydrophobicContact CG-CE2 4.11Å; K163-Y196 HydrophobicContact CG-CG 4.31Å; K163-Y310 HydrophobicContact CB-CD2 4Å; K163-Y310 HydrophobicContact CB-CE2 4.1Å; K163-Y310 VanDerWaalsContact CB-O 3.28Å; K163-Y310 WeakPolarHBondContact CB-O 3.33Å; K163-Y310 HydrophobicContact CD-CD2 4.13Å; K163-Y310 HydrophobicContact CD-CE2 3.37Å; K163-Y310 HydrophobicContact CG-CE2 4.37Å; K163-Y310 PolarHBondContact N-O 2.84Å; K163-Y310 PolarHBondContact N-OXT 2.96Å
164R98.3Very high98.7Very high91 Ų9138.9 Ų38.934%0.34317%0.173SC..Hα-helixtrans-56.9-45.6-179.4-178.5-161.971.9-133.93.8111.1N162 E167 N168 S302 E303 D308N162-R164 PolarHBondContact O-N 3.33Å; N162-R164 WeakPolarHBondContact OD1-CB 3.5Å; N162-R164 PolarHBondContact OD1-N 2.64Å; N162-R164 VanDerWaalsContact OD1-N 3.09Å; R164-E167 PolarHBondContact O-N 3.33Å; R164-N168 PolarHBondContact O-N 2.8Å; R164-S302 PolarHBondContact NH2-O 2.86Å; R164-E303 IonicContact NH2-OE1 3.89Å; R164-E303 IonicContact NH2-OE2 2.73Å; R164-E303 PolarHBondContact NH2-OE2 2.9Å; R164-D308 IonicContact CZ-OD1 3.17Å; R164-D308 IonicContact CZ-OD2 2.84Å; R164-D308 IonicContact NH1-OD1 3.33Å; R164-D308 PolarHBondContact NH1-OD1 3.07Å; R164-D308 IonicContact NH1-OD2 3.12Å; R164-D308 PolarHBondContact NH1-OD2 2.87Å
165Q98.7Very high98.7Very high1 Ų137.3 Ų37.31%0.00517%0.168CC..Hα-helixtrans-68.6-40.7-178.2-65.7169.5-34.100111.7F161 N162 K163 N168 I169 E303F161-Q165 HydrophobicContact CB-CB 4.29Å; F161-Q165 HydrophobicContact CD1-CB 3.6Å; F161-Q165 HydrophobicContact CE1-CB 4.34Å; F161-Q165 HydrophobicContact CG-CB 4.31Å; N162-Q165 PolarHBondContact O-N 2.95Å; N162-Q165 VanDerWaalsContact OD1-CG 3.23Å; N162-Q165 WeakPolarHBondContact OD1-CG 3.47Å; N162-Q165 PolarHBondContact OD1-N 2.74Å; N162-Q165 PolarHBondContact OD1-OE1 3.18Å; K163-Q165 VanDerWaalsContact C-N 3.3Å; K163-Q165 PolarHBondContact O-N 3.17Å; Q165-N168 WeakPolarHBondContact O-CB 3.42Å; Q165-N168 PolarHBondContact O-N 2.93Å; Q165-I169 PolarHBondContact O-N 3.48Å; Q165-E303 VanDerWaalsContact CG-OE2 3.27Å; Q165-E303 WeakPolarHBondContact CG-OE2 3.26Å; Q165-E303 PolarHBondContact NE2-O 2.83Å; Q165-E303 PolarHBondContact NE2-OE2 3.47Å
166I98.9Very high98.7Very high0 Ų041.1 Ų41.10%018%0.184CC..Hα-helixtrans-60.9-46.3172.9-65.9161.6000110.1L158 F161 N162 K163 N168 I169 L170 L180 L193 Y196 I200 L202L158-I166 HydrophobicContact CD1-CG1 3.96Å; F161-I166 HydrophobicContact CB-CD1 4.47Å; F161-I166 HydrophobicContact CB-CG1 3.91Å; N162-I166 WeakPolarHBondContact O-CD1 3.33Å; N162-I166 VanDerWaalsContact O-CG1 3.23Å; N162-I166 WeakPolarHBondContact O-CG1 3.37Å; N162-I166 PolarHBondContact O-N 2.82Å; K163-I166 PolarHBondContact O-N 2.78Å; I166-N168 VanDerWaalsContact C-N 3.27Å; I166-N168 PolarHBondContact O-N 3.43Å; I166-I169 PolarHBondContact O-N 3.37Å; I166-L170 HydrophobicContact CG2-CD1 3.89Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.43Å; I166-L170 PolarHBondContact O-N 3.29Å; I166-L180 HydrophobicContact CD1-CD1 4.16Å; I166-L180 HydrophobicContact CD1-CD2 3.71Å; I166-L193 HydrophobicContact CD1-CD1 3.98Å; I166-Y196 HydrophobicContact CB-CE1 4.24Å; I166-Y196 HydrophobicContact CD1-CE1 4.26Å; I166-Y196 HydrophobicContact CG2-CE1 4Å; I166-I200 HydrophobicContact CG2-CD1 3.73Å; I166-L202 HydrophobicContact CG2-CD2 4.31Å
167E98.7Very high98.7Very high64 Ų6441.1 Ų41.130%0.29918%0.184SC..Hα-helixtrans-61.1-35.7176.3-72-179.8168.900112.3K163 R164 L170 K171 Y196K163-E167 WeakPolarHBondContact CE-OE1 3.46Å; K163-E167 HydrophobicContact CG-CG 4.38Å; K163-E167 IonicContact NZ-OE1 3.54Å; K163-E167 PolarHBondContact NZ-OE1 2.85Å; K163-E167 IonicContact NZ-OE2 3.59Å; K163-E167 WeakPolarHBondContact O-CG 3.4Å; K163-E167 PolarHBondContact O-N 2.79Å; R164-E167 PolarHBondContact O-N 3.33Å; E167-L170 PolarHBondContact O-N 3.28Å; E167-K171 VanDerWaalsContact O-CG 3.27Å; E167-K171 WeakPolarHBondContact O-CG 3.42Å; E167-K171 PolarHBondContact O-N 3.3Å; E167-K171 VanDerWaalsContact O-N 3.13Å; E167-Y196 WeakPolarHBondContact CG-OH 3.45Å
168N98.6Very high98.7Very high46 Ų4641.1 Ų41.125%0.24618%0.184CC..Hα-helixtrans-62.9-47.6173.7-173.254.4000111.6E138 R164 Q165 I166 L170 K171 H172E138-N168 PolarHBondContact OE2-ND2 2.95Å; E138-N168 VanDerWaalsContact OE2-ND2 3.09Å; R164-N168 PolarHBondContact O-N 2.8Å; Q165-N168 WeakPolarHBondContact O-CB 3.42Å; Q165-N168 PolarHBondContact O-N 2.93Å; I166-N168 VanDerWaalsContact C-N 3.27Å; I166-N168 PolarHBondContact O-N 3.43Å; N168-L170 PolarHBondContact O-N 2.86Å; N168-K171 PolarHBondContact O-N 2.84Å; N168-H172 PolarHBondContact O-ND1 2.98Å; N168-H172 PolarHBondContact OD1-CE1 2.89Å; N168-H172 VanDerWaalsContact OD1-CE1 3.28Å; N168-H172 PolarHBondContact OD1-ND1 2.65Å
169I98.8Very high98.7Very high0 Ų041.1 Ų41.10%018%0.184CC..Hα-helixtrans-59.9-46.1175.6-67.9-60.4000111H137 W141 L158 F161 Q165 I166 K171 H172 C173 P177H137-I169 HydrophobicContact CB-CD1 3.59Å; H137-I169 HydrophobicContact CB-CG1 4.45Å; W141-I169 HydrophobicContact CB-CD1 3.82Å; W141-I169 HydrophobicContact CD2-CD1 4.3Å; W141-I169 HydrophobicContact CD2-CG2 3.69Å; W141-I169 HydrophobicContact CE3-CD1 4.36Å; W141-I169 HydrophobicContact CE3-CG2 4.09Å; W141-I169 HydrophobicContact CG-CD1 4.08Å; W141-I169 HydrophobicContact CG-CG2 4.01Å; W141-I169 HydrophobicContact CZ2-CG2 4.28Å; L158-I169 HydrophobicContact CD1-CG1 4.32Å; L158-I169 HydrophobicContact CD2-CG1 4.37Å; F161-I169 HydrophobicContact CE1-CG1 4.33Å; Q165-I169 PolarHBondContact O-N 3.48Å; I166-I169 PolarHBondContact O-N 3.37Å; I169-K171 PolarHBondContact O-N 3.01Å; I169-H172 PolarHBondContact O-N 2.98Å; I169-C173 HydrophobicContact CG2-CB 4.28Å; I169-C173 VanDerWaalsContact O-CB 3.31Å; I169-C173 WeakPolarHBondContact O-CB 3.45Å; I169-C173 PolarHBondContact O-N 3.13Å; I169-P177 HydrophobicContact CG2-CG 3.59Å
170L98.8Very high98.7Very high50 Ų5041.1 Ų41.126%0.26218%0.184SC..Hα-helixtrans-62.1-28.9-178.3-69.6173.6000113.8I166 E167 N168 H172 K176 I200I166-L170 HydrophobicContact CG2-CD1 3.89Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.43Å; I166-L170 PolarHBondContact O-N 3.29Å; E167-L170 PolarHBondContact O-N 3.28Å; N168-L170 PolarHBondContact O-N 2.86Å; L170-H172 VanDerWaalsContact C-N 3.3Å; L170-K176 HydrophobicContact CD2-CD 4.14Å; L170-K176 HydrophobicContact CD2-CG 3.71Å; L170-I200 HydrophobicContact CD1-CD1 3.62Å
171K98.5Very high98.7Very high161 Ų16141.1 Ų41.170%0.718%0.184SC*.Hα-helixtrans-71.3-25.8175.2-74.1168.3-174.7175.50112.9E167 N168 I169E167-K171 VanDerWaalsContact O-CG 3.27Å; E167-K171 WeakPolarHBondContact O-CG 3.42Å; E167-K171 PolarHBondContact O-N 3.3Å; E167-K171 VanDerWaalsContact O-N 3.13Å; N168-K171 PolarHBondContact O-N 2.84Å; I169-K171 PolarHBondContact O-N 3.01Å
172H98.6Very high98.7Very high91 Ų9141.1 Ų41.142%0.42118%0.184SC..Hα-helixtrans-114.8-13.4-171.1-60.8101.7000114.1E138 N168 I169 L170E138-H172 HydrophobicContact CB-CB 3.63Å; E138-H172 HydrophobicContact CG-CB 4.46Å; N168-H172 PolarHBondContact O-ND1 2.98Å; N168-H172 PolarHBondContact OD1-CE1 2.89Å; N168-H172 VanDerWaalsContact OD1-CE1 3.28Å; N168-H172 PolarHBondContact OD1-ND1 2.65Å; I169-H172 PolarHBondContact O-N 2.98Å; L170-H172 VanDerWaalsContact C-N 3.3Å
173C98.6Very high98.7Very high31 Ų3141 Ų4121%0.20918%0.184CC..  trans-76141.7-176.769.90000112.6E145 I169 I175E145-C173 WeakPolarHBondContact OE1-CA 3.5Å; I169-C173 HydrophobicContact CG2-CB 4.28Å; I169-C173 VanDerWaalsContact O-CB 3.31Å; I169-C173 WeakPolarHBondContact O-CB 3.45Å; I169-C173 PolarHBondContact O-N 3.13Å; C173-I175 WeakPolarHBondContact CB-O 3.21Å
174R98.8Very high98.7Very high147 Ų14738.4 Ų38.456%0.55517%0.172SC*.SBendtrans-86.9-41159.2174.8-172.956.6103.3-1.2110.5E145 D149E145-R174 WeakPolarHBondContact OE1-CA 2.97Å; E145-R174 PolarHBondContact OE1-N 3.26Å; E145-R174 IonicContact OE2-NE 2.94Å; E145-R174 IonicContact OE2-NH2 2.65Å; D149-R174 VanDerWaalsContact CG-NH2 3.26Å; D149-R174 IonicContact OD1-CZ 3.62Å; D149-R174 IonicContact OD1-NH1 2.67Å; D149-R174 PolarHBondContact OD1-NH1 2.96Å; D149-R174 IonicContact OD1-NH2 3.91Å; D149-R174 PolarHBondContact OD1-NH2 3.2Å; D149-R174 IonicContact OD2-CZ 3.3Å; D149-R174 IonicContact OD2-NH1 2.95Å; D149-R174 IonicContact OD2-NH2 3.98Å; D149-R174 PolarHBondContact OD2-NH2 3.36Å
175I98.8Very high98.7Very high38 Ų3834.1 Ų34.120%0.19516%0.156CC..SBendtrans-103.6114174.5-54.1179.4000107.8W141 E145 V148 I156 C173W141-I175 VanDerWaalsContact CZ2-O 3.3Å; W141-I175 WeakPolarHBondContact CZ2-O 3.28Å; W141-I175 PolarHBondContact NE1-O 3.17Å; E145-I175 HydrophobicContact CB-CD1 4.09Å; E145-I175 HydrophobicContact CB-CG1 4.42Å; E145-I175 HydrophobicContact CG-CB 4.01Å; E145-I175 HydrophobicContact CG-CD1 4.33Å; E145-I175 HydrophobicContact CG-CG1 4.2Å; E145-I175 PolarHBondContact OE1-N 3.08Å; V148-I175 HydrophobicContact CB-CD1 3.81Å; V148-I175 HydrophobicContact CG1-CD1 3.93Å; V148-I175 HydrophobicContact CG2-CD1 4.15Å; I156-I175 HydrophobicContact CD1-CB 4.38Å; I156-I175 HydrophobicContact CD1-CG2 4.32Å; I156-I175 HydrophobicContact CG1-CG2 4.31Å; C173-I175 WeakPolarHBondContact CB-O 3.21Å
176K98.7Very high98.6Very high82 Ų8234.1 Ų34.136%0.35716%0.156SC..  trans-63.3139.9178.3-172.6170.7-179.1168.80111.3L170 A178 I200L170-K176 HydrophobicContact CD2-CD 4.14Å; L170-K176 HydrophobicContact CD2-CG 3.71Å; K176-A178 PolarHBondContact O-N 3.16Å; K176-I200 WeakPolarHBondContact CE-O 3.3Å; K176-I200 PolarHBondContact NZ-O 3.38Å
177P98.9Very high98.4Very high0 Ų034.9 Ų34.90%016%0.16CC..  trans-54.8130.4170.6-2128.1000111.5N7 W141 L158 I169 L202N7-P177 PolarHBondContact ND2-O 3.49Å; W141-P177 HydrophobicContact CH2-CB 3.61Å; W141-P177 HydrophobicContact CH2-CG 3.5Å; W141-P177 VanDerWaalsContact CH2-CG 3.5Å; W141-P177 HydrophobicContact CZ2-CB 3.98Å; W141-P177 HydrophobicContact CZ2-CG 3.51Å; W141-P177 HydrophobicContact CZ3-CB 4.47Å; W141-P177 HydrophobicContact CZ3-CG 4.22Å; L158-P177 HydrophobicContact CD1-CB 4.17Å; L158-P177 HydrophobicContact CD1-CG 3.91Å; L158-P177 HydrophobicContact CG-CB 4.14Å; L158-P177 HydrophobicContact CG-CG 4.22Å; I169-P177 HydrophobicContact CG2-CG 3.59Å; P177-L202 HydrophobicContact CB-CD2 4.34Å; P177-L202 WeakPolarHBondContact O-CD1 3.31Å; P177-L202 WeakPolarHBondContact O-CG 3.42Å
178A98.9Very high98.3Very high1 Ų132.6 Ų32.61%0.00815%0.15CC..  trans-86.3-29.3-177.200000113.3M6 N7 I156 K176 T203M6-A178 HydrophobicContact CB-CB 4.19Å; M6-A178 HydrophobicContact SD-CB 3.99Å; N7-A178 WeakPolarHBondContact OD1-CA 2.98Å; I156-A178 PolarHBondContact O-N 3.1Å; K176-A178 PolarHBondContact O-N 3.16Å; A178-T203 PolarHBondContact O-N 3.46Å; A178-T203 VanDerWaalsContact O-N 3.16Å; A178-T203 PolarHBondContact O-OG1 3.32Å
179N98.9Very high98.3Very high0 Ų030.6 Ų30.60%014%0.139CC..EExtended strand (participates in β ladder)trans-142.6145.6-173.8-173.7-104.4000111.3L106 L108 G157 L158 T203 T205L106-N179 HydrophobicContact CD1-CB 4.07Å; L106-N179 HydrophobicContact CD2-CB 3.74Å; L108-N179 HydrophobicContact CD2-CB 4.43Å; G157-N179 VanDerWaalsContact CA-O 3.28Å; G157-N179 WeakPolarHBondContact CA-O 3.35Å; L158-N179 PolarHBondContact N-O 3.16Å; N179-T203 CarbonylContact C-O 3.4Å; N179-T203 VanDerWaalsContact CA-O 3.27Å; N179-T203 WeakPolarHBondContact CA-O 3.42Å; N179-T203 PolarHBondContact ND2-O 3.39Å; N179-T203 VanDerWaalsContact ND2-O 3.17Å; N179-T203 PolarHBondContact ND2-OG1 3.18Å; N179-T205 PolarHBondContact ND2-OG1 3.23Å; N179-T205 PolarHBondContact OD1-OG1 3.41Å
180L98.9Very high98.2Very high0 Ų031.1 Ų31.10%014%0.142CC..EExtended strand (participates in β ladder)trans-116.3117.3165.8177.965.4000109.1L158 F161 I166 I182 L193 A197 L202 T203 V204 T205L158-L180 HydrophobicContact CB-CD1 3.99Å; L158-L180 CarbonylContact O-C 3.59Å; L158-L180 VanDerWaalsContact O-CA 3.31Å; L158-L180 WeakPolarHBondContact O-CA 3.47Å; F161-L180 HydrophobicContact CB-CD1 4.25Å; I166-L180 HydrophobicContact CD1-CD1 4.16Å; I166-L180 HydrophobicContact CD1-CD2 3.71Å; L180-I182 HydrophobicContact CD1-CG2 3.93Å; L180-I182 HydrophobicContact CD2-CD1 3.99Å; L180-I182 HydrophobicContact CD2-CG1 4.47Å; L180-I182 HydrophobicContact CD2-CG2 4.16Å; L180-I182 HydrophobicContact CG-CD1 4.4Å; L180-I182 HydrophobicContact CG-CG1 4.35Å; L180-I182 HydrophobicContact CG-CG2 3.84Å; L180-L193 HydrophobicContact CD2-CD1 4.08Å; L180-L193 HydrophobicContact CD2-CD2 4.27Å; L180-L193 HydrophobicContact CD2-CG 3.97Å; L180-A197 HydrophobicContact CD2-CB 3.77Å; L180-L202 HydrophobicContact CB-CD2 4.28Å; L180-T203 PolarHBondContact N-O 3.31Å; L180-V204 CarbonylContact O-C 3.53Å; L180-V204 VanDerWaalsContact O-CA 3.29Å; L180-V204 WeakPolarHBondContact O-CA 3.3Å; L180-T205 PolarHBondContact O-N 3.26Å
181Q99Very high98.2Very high2 Ų231.6 Ų31.61%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-98120.8172.6-171.6175.1127.100110.7D43 K77 L108 L158 S159 N160 T205 Y207D43-Q181 PolarHBondContact OD2-NE2 3.43Å; K77-Q181 VanDerWaalsContact CE-CD 3.47Å; L108-Q181 HydrophobicContact CD1-CB 3.65Å; L108-Q181 HydrophobicContact CD1-CG 4.47Å; L158-Q181 PolarHBondContact O-N 3Å; S159-Q181 CarbonylContact C-O 3.51Å; S159-Q181 WeakPolarHBondContact CA-O 3.26Å; S159-Q181 PolarHBondContact OG-O 3.04Å; N160-Q181 PolarHBondContact N-O 3.43Å; Q181-T205 CarbonylContact C-O 3.57Å; Q181-T205 VanDerWaalsContact CA-O 3.3Å; Q181-T205 WeakPolarHBondContact CA-O 3.47Å; Q181-T205 HydrophobicContact CG-CG2 3.96Å; Q181-Y207 HydrophobicContact CG-CD1 4.16Å
182I98.8Very high98.1Very high1 Ų129.4 Ų29.41%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-144.7163-17547.1172.6000111.1L180 I184 L193 V194 V204 T205 A206 Y207L180-I182 HydrophobicContact CD1-CG2 3.93Å; L180-I182 HydrophobicContact CD2-CD1 3.99Å; L180-I182 HydrophobicContact CD2-CG1 4.47Å; L180-I182 HydrophobicContact CD2-CG2 4.16Å; L180-I182 HydrophobicContact CG-CD1 4.4Å; L180-I182 HydrophobicContact CG-CG1 4.35Å; L180-I182 HydrophobicContact CG-CG2 3.84Å; I182-I184 HydrophobicContact CD1-CD1 4.06Å; I182-I184 HydrophobicContact CD1-CG1 4.24Å; I182-I184 HydrophobicContact CG1-CD1 3.84Å; I182-I184 HydrophobicContact CG1-CG1 3.93Å; I182-I184 PolarHBondContact O-N 3.36Å; I182-L193 HydrophobicContact CD1-CB 4.25Å; I182-L193 HydrophobicContact CD1-CD2 3.69Å; I182-L193 HydrophobicContact CD1-CG 3.8Å; I182-L193 HydrophobicContact CG2-CD2 4.05Å; I182-V194 HydrophobicContact CD1-CG2 4.21Å; I182-V204 HydrophobicContact CD1-CG1 3.98Å; I182-V204 HydrophobicContact CG1-CG1 3.88Å; I182-T205 PolarHBondContact N-O 2.56Å; I182-A206 WeakPolarHBondContact O-CA 3.13Å; I182-Y207 WeakPolarHBondContact O-CD1 3.41Å; I182-Y207 PolarHBondContact O-N 2.99Å
183E98Very high98.2Very high0 Ų025.2 Ų25.20%012%0.117CC..EExtended strand (participates in β ladder)trans-65.9120.2173.9-163.2-177.5135.900109.7H185 F188 N190 Y207 R291 Q292 F293E183-H185 IonicContact OE1-CE1 2.78Å; E183-H185 IonicContact OE1-NE2 2.62Å; E183-H185 PolarHBondContact OE1-NE2 2.91Å; E183-H185 VanDerWaalsContact OE1-NE2 3.16Å; E183-F188 HydrophobicContact CB-CD1 4.03Å; E183-F188 HydrophobicContact CB-CE1 4.2Å; E183-F188 HydrophobicContact CG-CD1 4.04Å; E183-F188 WeakPolarHBondContact O-CD1 3.39Å; E183-N190 PolarHBondContact O-ND2 3.41Å; E183-N190 VanDerWaalsContact O-ND2 3.08Å; E183-Y207 HydrophobicContact CB-CE1 4.09Å; E183-Y207 HydrophobicContact CB-CE2 3.77Å; E183-Y207 WeakPolarHBondContact CB-OH 3.46Å; E183-Y207 HydrophobicContact CG-CE2 3.88Å; E183-R291 VanDerWaalsContact OE2-CG 3.23Å; E183-R291 WeakPolarHBondContact OE2-CG 3.46Å; E183-Q292 WeakPolarHBondContact OE1-CA 3.49Å; E183-Q292 VanDerWaalsContact OE1-CB 3.27Å; E183-Q292 WeakPolarHBondContact OE1-CB 3.3Å; E183-Q292 PolarHBondContact OE1-N 3.44Å; E183-Q292 PolarHBondContact OE2-N 3.34Å; E183-F293 HydrophobicContact CG-CD2 4.15Å; E183-F293 WeakPolarHBondContact OE2-CB 3.4Å; E183-F293 WeakPolarHBondContact OE2-CD2 3.33Å; E183-F293 PolarHBondContact OE2-N 2.97Å
184I98.6Very high98.2Very high0 Ų023.8 Ų23.80%011%0.107CC..  trans-147.4124.4174.4-46.1169.7000108.8I182 F188 P189 N190 V194 V204 A206 Y207 P209 L247 L252I182-I184 HydrophobicContact CD1-CD1 4.06Å; I182-I184 HydrophobicContact CD1-CG1 4.24Å; I182-I184 HydrophobicContact CG1-CD1 3.84Å; I182-I184 HydrophobicContact CG1-CG1 3.93Å; I182-I184 PolarHBondContact O-N 3.36Å; I184-F188 WeakPolarHBondContact CA-O 3.38Å; I184-P189 WeakPolarHBondContact CG2-O 3.41Å; I184-N190 HydrophobicContact CG1-CB 4.29Å; I184-V194 HydrophobicContact CD1-CG2 3.43Å; I184-V194 VanDerWaalsContact CD1-CG2 3.43Å; I184-V194 HydrophobicContact CG1-CG2 4.18Å; I184-V204 HydrophobicContact CD1-CG1 3.57Å; I184-A206 HydrophobicContact CB-CB 3.74Å; I184-A206 HydrophobicContact CD1-CB 4.09Å; I184-A206 HydrophobicContact CG1-CB 4.25Å; I184-Y207 PolarHBondContact N-O 3.38Å; I184-P209 WeakPolarHBondContact O-CA 3.17Å; I184-L247 HydrophobicContact CB-CD2 4.43Å; I184-L247 HydrophobicContact CG2-CD2 3.64Å; I184-L252 HydrophobicContact CD1-CD1 3.88Å; I184-L252 HydrophobicContact CD1-CD2 4.29Å; I184-L252 HydrophobicContact CG2-CD1 4.01Å
185H97.6Very high98.2Very high2 Ų222.5 Ų22.51%0.00911%0.108CC..BIsolated β-bridgetrans-157.4175.3170.648.567.2000109.2E183 N187 F188 P189 A208 L222E183-H185 IonicContact OE1-CE1 2.78Å; E183-H185 IonicContact OE1-NE2 2.62Å; E183-H185 PolarHBondContact OE1-NE2 2.91Å; E183-H185 VanDerWaalsContact OE1-NE2 3.16Å; H185-N187 WeakPolarHBondContact ND1-CB 3.34Å; H185-N187 PolarHBondContact ND1-N 3.38Å; H185-N187 PolarHBondContact O-N 2.87Å; H185-F188 VanDerWaalsContact CE1-CB 3.43Å; H185-F188 WeakPolarHBondContact CE1-CB 3.29Å; H185-F188 PolarHBondContact CE1-N 3.47Å; H185-F188 PolarHBondContact N-O 3.24Å; H185-F188 VanDerWaalsContact N-O 3.16Å; H185-F188 PolarHBondContact ND1-N 3.35Å; H185-F188 VanDerWaalsContact ND1-N 3.1Å; H185-F188 CarbonylContact O-C 3.5Å; H185-F188 WeakPolarHBondContact O-CA 3.27Å; H185-F188 PolarHBondContact O-N 3.11Å; H185-P189 VanDerWaalsContact O-N 3.14Å; H185-A208 PolarHBondContact CD2-O 3.19Å; H185-A208 VanDerWaalsContact CD2-O 3.28Å; H185-L222 HydrophobicContact CB-CD1 3.85Å
186A97.2Very high98.2Very high1 Ų122.1 Ų22.11%0.00810%0.104CC..THydrogen-bonded Turntrans-61-30-176.400000113.5F188 L222 W227 L243 Y246 L283 G287A186-F188 VanDerWaalsContact C-N 3.3Å; A186-F188 PolarHBondContact O-N 2.91Å; A186-L222 HydrophobicContact CB-CD1 4.39Å; A186-L222 HydrophobicContact CB-CD2 4.01Å; A186-W227 HydrophobicContact CB-CH2 3.63Å; A186-W227 HydrophobicContact CB-CZ3 3.98Å; A186-L243 HydrophobicContact CB-CD2 3.65Å; A186-Y246 HydrophobicContact CB-CD1 4.44Å; A186-Y246 HydrophobicContact CB-CE1 4.26Å; A186-L283 HydrophobicContact CB-CD2 4.08Å; A186-G287 WeakPolarHBondContact O-CA 3.44Å
187N95.4Very high98.2Very high15 Ų1518.2 Ų18.28%0.089%0.087CC..THydrogen-bonded Turntrans-76.1-11.1171.2-87.5-14000115.1H185 V220 L222 G287 L288 N289 E290H185-N187 WeakPolarHBondContact ND1-CB 3.34Å; H185-N187 PolarHBondContact ND1-N 3.38Å; H185-N187 PolarHBondContact O-N 2.87Å; N187-V220 WeakPolarHBondContact ND2-CG1 3.22Å; N187-L222 HydrophobicContact CB-CD1 4.11Å; N187-L222 HydrophobicContact CB-CD2 3.95Å; N187-L222 HydrophobicContact CB-CG 4.18Å; N187-L222 WeakPolarHBondContact ND2-CD2 3.42Å; N187-L222 WeakPolarHBondContact OD1-CD2 3.47Å; N187-G287 VanDerWaalsContact OD1-CA 3.31Å; N187-G287 WeakPolarHBondContact OD1-CA 3.27Å; N187-L288 PolarHBondContact OD1-N 3.48Å; N187-N289 CarbonylContact O-C 2.9Å; N187-N289 WeakPolarHBondContact O-CA 3.27Å; N187-N289 PolarHBondContact O-N 3.33Å; N187-E290 PolarHBondContact O-N 2.86Å
188F96.2Very high98.2Very high17 Ų1721.1 Ų21.18%0.07510%0.101CC..BIsolated β-bridgetrans-149.476.6176.3-174.3-125.7000109E183 I184 H185 A186 N190 E290 R291E183-F188 HydrophobicContact CB-CD1 4.03Å; E183-F188 HydrophobicContact CB-CE1 4.2Å; E183-F188 HydrophobicContact CG-CD1 4.04Å; E183-F188 WeakPolarHBondContact O-CD1 3.39Å; I184-F188 WeakPolarHBondContact CA-O 3.38Å; H185-F188 VanDerWaalsContact CE1-CB 3.43Å; H185-F188 WeakPolarHBondContact CE1-CB 3.29Å; H185-F188 PolarHBondContact CE1-N 3.47Å; H185-F188 PolarHBondContact N-O 3.24Å; H185-F188 VanDerWaalsContact N-O 3.16Å; H185-F188 PolarHBondContact ND1-N 3.35Å; H185-F188 VanDerWaalsContact ND1-N 3.1Å; H185-F188 CarbonylContact O-C 3.5Å; H185-F188 WeakPolarHBondContact O-CA 3.27Å; H185-F188 PolarHBondContact O-N 3.11Å; A186-F188 VanDerWaalsContact C-N 3.3Å; A186-F188 PolarHBondContact O-N 2.91Å; F188-N190 HydrophobicContact CD1-CB 4.09Å; F188-N190 HydrophobicContact CE1-CB 3.73Å; F188-N190 VanDerWaalsContact CE1-ND2 3.33Å; F188-N190 WeakPolarHBondContact CE1-ND2 3.39Å; F188-N190 HydrophobicContact CE2-CB 4.39Å; F188-N190 HydrophobicContact CZ-CB 3.88Å; F188-N190 PolarHBondContact O-N 3.11Å; F188-E290 WeakPolarHBondContact CB-O 3.46Å; F188-R291 HydrophobicContact CD1-CB 4.31Å; F188-R291 HydrophobicContact CD2-CB 4.48Å; F188-R291 HydrophobicContact CE1-CB 4.07Å; F188-R291 HydrophobicContact CE1-CG 4.17Å; F188-R291 HydrophobicContact CE2-CB 4.25Å; F188-R291 HydrophobicContact CZ-CB 4.05Å
189P97.7Very high98.1Very high4 Ų425.5 Ų25.53%0.02613%0.131CC..  trans-64.7-20.6-175.3-26.938.5000113.1I184 H185 I191 R250I184-P189 WeakPolarHBondContact CG2-O 3.41Å; H185-P189 VanDerWaalsContact O-N 3.14Å; P189-I191 HydrophobicContact CB-CD1 4.26Å; P189-I191 HydrophobicContact CB-CG1 3.75Å; P189-I191 PolarHBondContact O-N 3.23Å; P189-I191 VanDerWaalsContact O-N 3.15Å; P189-R250 VanDerWaalsContact O-CZ 3.27Å; P189-R250 PolarHBondContact O-NH1 3.39Å; P189-R250 PolarHBondContact O-NH2 3.48Å
190N97.5Very high98.1Very high10 Ų1027.2 Ų27.25%0.05314%0.14CC..  trans52.140.1174.5-157.8-4.5000112.5E183 I184 F188 Q192 L193 V194E183-N190 PolarHBondContact O-ND2 3.41Å; E183-N190 VanDerWaalsContact O-ND2 3.08Å; I184-N190 HydrophobicContact CG1-CB 4.29Å; F188-N190 HydrophobicContact CD1-CB 4.09Å; F188-N190 HydrophobicContact CE1-CB 3.73Å; F188-N190 VanDerWaalsContact CE1-ND2 3.33Å; F188-N190 WeakPolarHBondContact CE1-ND2 3.39Å; F188-N190 HydrophobicContact CE2-CB 4.39Å; F188-N190 HydrophobicContact CZ-CB 3.88Å; F188-N190 PolarHBondContact O-N 3.11Å; N190-Q192 PolarHBondContact O-N 3.27Å; N190-L193 PolarHBondContact O-N 3.03Å; N190-L193 WeakPolarHBondContact OD1-CB 3.46Å; N190-V194 WeakPolarHBondContact O-CB 3.28Å; N190-V194 VanDerWaalsContact O-CG2 3.23Å; N190-V194 WeakPolarHBondContact O-CG2 3.35Å; N190-V194 PolarHBondContact O-N 3.38Å; N190-V194 VanDerWaalsContact O-N 3.13Å
191I98Very high98.1Very high61 Ų6128.9 Ų28.931%0.31316%0.157SC..Hα-helixtrans-56.6-49-166.5-61-177.6000111.4P189 L193 V194 E195P189-I191 HydrophobicContact CB-CD1 4.26Å; P189-I191 HydrophobicContact CB-CG1 3.75Å; P189-I191 PolarHBondContact O-N 3.23Å; P189-I191 VanDerWaalsContact O-N 3.15Å; I191-L193 PolarHBondContact O-N 3.36Å; I191-V194 PolarHBondContact O-N 2.94Å; I191-E195 VanDerWaalsContact CG2-CD 3.44Å; I191-E195 HydrophobicContact CG2-CG 4.05Å; I191-E195 VanDerWaalsContact CG2-OE1 3.26Å; I191-E195 WeakPolarHBondContact CG2-OE1 3.36Å; I191-E195 WeakPolarHBondContact O-CB 3.36Å; I191-E195 WeakPolarHBondContact O-CG 3.28Å; I191-E195 PolarHBondContact O-N 2.86Å
192Q98.1Very high98.1Very high114 Ų11429 Ų2953%0.53316%0.158SC..Hα-helixtrans-62.4-44.5-173.6-63.6-178.3-66.500112.7N190 Y196 Y310N190-Q192 PolarHBondContact O-N 3.27Å; Q192-Y196 VanDerWaalsContact O-CB 3.28Å; Q192-Y196 WeakPolarHBondContact O-CB 3.35Å; Q192-Y196 PolarHBondContact O-N 2.88Å; Q192-Y310 HydrophobicContact CB-CD1 3.86Å; Q192-Y310 HydrophobicContact CB-CD2 3.97Å; Q192-Y310 HydrophobicContact CB-CE1 4.24Å; Q192-Y310 HydrophobicContact CB-CE2 4.27Å; Q192-Y310 HydrophobicContact CB-CG 3.75Å
193L98.7Very high98.1Very high3 Ų329.6 Ų29.62%0.01616%0.161CC..Hα-helixtrans-69.3-39.5178.3-172.349.1000111.7I166 L180 I182 N190 I191 Y196 A197 Y310I166-L193 HydrophobicContact CD1-CD1 3.98Å; L180-L193 HydrophobicContact CD2-CD1 4.08Å; L180-L193 HydrophobicContact CD2-CD2 4.27Å; L180-L193 HydrophobicContact CD2-CG 3.97Å; I182-L193 HydrophobicContact CD1-CB 4.25Å; I182-L193 HydrophobicContact CD1-CD2 3.69Å; I182-L193 HydrophobicContact CD1-CG 3.8Å; I182-L193 HydrophobicContact CG2-CD2 4.05Å; N190-L193 PolarHBondContact O-N 3.03Å; N190-L193 WeakPolarHBondContact OD1-CB 3.46Å; I191-L193 PolarHBondContact O-N 3.36Å; L193-Y196 HydrophobicContact CD1-CD1 4.25Å; L193-A197 VanDerWaalsContact O-CB 3.26Å; L193-A197 WeakPolarHBondContact O-CB 3.16Å; L193-A197 PolarHBondContact O-N 3.13Å; L193-Y310 VanDerWaalsContact CD1-OXT 3.31Å; L193-Y310 WeakPolarHBondContact CD1-OXT 3.49Å; L193-Y310 WeakPolarHBondContact CD2-OXT 3.39Å
194V98.8Very high98.1Very high2 Ų229.6 Ų29.61%0.01216%0.161CC..Hα-helixtrans-60.7-52.9177.1168.10000110.8I182 I184 N190 I191 Y196 A197 Q198 V204 L252I182-V194 HydrophobicContact CD1-CG2 4.21Å; I184-V194 HydrophobicContact CD1-CG2 3.43Å; I184-V194 VanDerWaalsContact CD1-CG2 3.43Å; I184-V194 HydrophobicContact CG1-CG2 4.18Å; N190-V194 WeakPolarHBondContact O-CB 3.28Å; N190-V194 VanDerWaalsContact O-CG2 3.23Å; N190-V194 WeakPolarHBondContact O-CG2 3.35Å; N190-V194 PolarHBondContact O-N 3.38Å; N190-V194 VanDerWaalsContact O-N 3.13Å; I191-V194 PolarHBondContact O-N 2.94Å; V194-Y196 VanDerWaalsContact C-N 3.34Å; V194-Y196 PolarHBondContact O-N 2.99Å; V194-A197 PolarHBondContact O-N 3.31Å; V194-Q198 HydrophobicContact CG1-CG 4.49Å; V194-Q198 WeakPolarHBondContact O-CB 3.49Å; V194-Q198 WeakPolarHBondContact O-CG 3.43Å; V194-Q198 PolarHBondContact O-N 3.32Å; V194-V204 HydrophobicContact CG2-CG1 4.27Å; V194-L252 HydrophobicContact CG1-CD2 3.72Å; V194-L252 HydrophobicContact CG2-CD2 4.44Å
195E98.7Very high98.1Very high120 Ų12029.6 Ų29.656%0.56116%0.162SC*.Hα-helixtrans-62.5-43.2-179.4-73.1177.9170.600111.1I191 Q198 S199I191-E195 VanDerWaalsContact CG2-CD 3.44Å; I191-E195 HydrophobicContact CG2-CG 4.05Å; I191-E195 VanDerWaalsContact CG2-OE1 3.26Å; I191-E195 WeakPolarHBondContact CG2-OE1 3.36Å; I191-E195 WeakPolarHBondContact O-CB 3.36Å; I191-E195 WeakPolarHBondContact O-CG 3.28Å; I191-E195 PolarHBondContact O-N 2.86Å; E195-Q198 PolarHBondContact O-N 2.85Å; E195-S199 VanDerWaalsContact O-CB 3.26Å; E195-S199 WeakPolarHBondContact O-CB 3.43Å; E195-S199 PolarHBondContact O-N 3.49Å; E195-S199 PolarHBondContact O-OG 3.07Å
196Y98.8Very high98.2Very high30 Ų3029.5 Ų29.512%0.11816%0.161CC..Hα-helixtrans-57.7-55.9174169.4-106000111.1K163 I166 E167 Q192 L193 V194 Q198 S199 I200K163-Y196 HydrophobicContact CB-CD1 4.17Å; K163-Y196 HydrophobicContact CB-CE1 4.15Å; K163-Y196 HydrophobicContact CD-CD1 4.1Å; K163-Y196 HydrophobicContact CD-CD2 3.78Å; K163-Y196 HydrophobicContact CD-CE1 4.23Å; K163-Y196 HydrophobicContact CD-CE2 3.9Å; K163-Y196 HydrophobicContact CD-CG 3.88Å; K163-Y196 VanDerWaalsContact CE-CE2 3.42Å; K163-Y196 HydrophobicContact CG-CD1 4.02Å; K163-Y196 HydrophobicContact CG-CD2 4.35Å; K163-Y196 HydrophobicContact CG-CE1 3.77Å; K163-Y196 HydrophobicContact CG-CE2 4.11Å; K163-Y196 HydrophobicContact CG-CG 4.31Å; I166-Y196 HydrophobicContact CB-CE1 4.24Å; I166-Y196 HydrophobicContact CD1-CE1 4.26Å; I166-Y196 HydrophobicContact CG2-CE1 4Å; E167-Y196 WeakPolarHBondContact CG-OH 3.45Å; Q192-Y196 VanDerWaalsContact O-CB 3.28Å; Q192-Y196 WeakPolarHBondContact O-CB 3.35Å; Q192-Y196 PolarHBondContact O-N 2.88Å; L193-Y196 HydrophobicContact CD1-CD1 4.25Å; V194-Y196 VanDerWaalsContact C-N 3.34Å; V194-Y196 PolarHBondContact O-N 2.99Å; Y196-Q198 VanDerWaalsContact C-N 3.33Å; Y196-Q198 PolarHBondContact O-N 3.07Å; Y196-S199 WeakPolarHBondContact O-CB 3.38Å; Y196-S199 PolarHBondContact O-N 2.68Å; Y196-S199 VanDerWaalsContact O-N 3.07Å; Y196-S199 PolarHBondContact O-OG 3.32Å; Y196-I200 HydrophobicContact CE1-CD1 3.85Å; Y196-I200 HydrophobicContact CE2-CG2 3.94Å; Y196-I200 WeakPolarHBondContact O-CG1 3.31Å; Y196-I200 PolarHBondContact O-N 2.92Å; Y196-I200 VanDerWaalsContact O-N 3.15Å
197A98.9Very high98.3Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-58.2-43.8-178.100000112L180 L193 V194 I200 G201 L202 V204L180-A197 HydrophobicContact CD2-CB 3.77Å; L193-A197 VanDerWaalsContact O-CB 3.26Å; L193-A197 WeakPolarHBondContact O-CB 3.16Å; L193-A197 PolarHBondContact O-N 3.13Å; V194-A197 PolarHBondContact O-N 3.31Å; A197-I200 WeakPolarHBondContact O-CG1 3.44Å; A197-I200 PolarHBondContact O-N 3.33Å; A197-G201 PolarHBondContact O-N 2.97Å; A197-L202 HydrophobicContact CB-CB 4.23Å; A197-L202 WeakPolarHBondContact O-CB 3.18Å; A197-L202 PolarHBondContact O-N 3.16Å; A197-V204 HydrophobicContact CB-CG2 3.71Å
198Q98.7Very high98.3Very high61 Ų6130.8 Ų30.829%0.28517%0.168SC..Hα-helixtrans-64.8-39.5175.8-72.5175.8-23.900112V194 E195 Y196 I200 G201 V204 R250 N251V194-Q198 HydrophobicContact CG1-CG 4.49Å; V194-Q198 WeakPolarHBondContact O-CB 3.49Å; V194-Q198 WeakPolarHBondContact O-CG 3.43Å; V194-Q198 PolarHBondContact O-N 3.32Å; E195-Q198 PolarHBondContact O-N 2.85Å; Y196-Q198 VanDerWaalsContact C-N 3.33Å; Y196-Q198 PolarHBondContact O-N 3.07Å; Q198-I200 PolarHBondContact O-N 3.08Å; Q198-G201 WeakPolarHBondContact O-CA 3.31Å; Q198-G201 PolarHBondContact O-N 3.5Å; Q198-V204 HydrophobicContact CG-CG2 4.07Å; Q198-R250 PolarHBondContact NE2-O 3.19Å; Q198-R250 VanDerWaalsContact NE2-O 3.11Å; Q198-N251 PolarHBondContact NE2-O 3.3Å; Q198-N251 VanDerWaalsContact NE2-O 3.17Å
199S98.5Very high98.4Very high93 Ų9330.2 Ų30.265%0.6517%0.165SC*.Hα-helixtrans-62.6-31.3179.377.40000113E195 Y196 G201E195-S199 VanDerWaalsContact O-CB 3.26Å; E195-S199 WeakPolarHBondContact O-CB 3.43Å; E195-S199 PolarHBondContact O-N 3.49Å; E195-S199 PolarHBondContact O-OG 3.07Å; Y196-S199 WeakPolarHBondContact O-CB 3.38Å; Y196-S199 PolarHBondContact O-N 2.68Å; Y196-S199 VanDerWaalsContact O-N 3.07Å; Y196-S199 PolarHBondContact O-OG 3.32Å; S199-G201 VanDerWaalsContact C-N 3.3Å
200I98.5Very high98.4Very high35 Ų3531.1 Ų31.118%0.17917%0.17CC..THydrogen-bonded Turntrans-9211174.361159.2000112I166 L170 K176 Y196 A197 Q198 L202I166-I200 HydrophobicContact CG2-CD1 3.73Å; L170-I200 HydrophobicContact CD1-CD1 3.62Å; K176-I200 WeakPolarHBondContact CE-O 3.3Å; K176-I200 PolarHBondContact NZ-O 3.38Å; Y196-I200 HydrophobicContact CE1-CD1 3.85Å; Y196-I200 HydrophobicContact CE2-CG2 3.94Å; Y196-I200 WeakPolarHBondContact O-CG1 3.31Å; Y196-I200 PolarHBondContact O-N 2.92Å; Y196-I200 VanDerWaalsContact O-N 3.15Å; A197-I200 WeakPolarHBondContact O-CG1 3.44Å; A197-I200 PolarHBondContact O-N 3.33Å; Q198-I200 PolarHBondContact O-N 3.08Å; I200-L202 HydrophobicContact CD1-CD1 3.84Å; I200-L202 HydrophobicContact CD1-CD2 4.11Å; I200-L202 HydrophobicContact CG1-CD1 4.01Å
201G98Very high98.2Very high36 Ų3631.1 Ų31.137%0.37117%0.172SC..THydrogen-bonded Turntrans77.422.9172.900000115.1N7 A197 Q198 S199N7-G201 WeakPolarHBondContact CB-O 3.25Å; N7-G201 PolarHBondContact ND2-O 2.95Å; N7-G201 VanDerWaalsContact ND2-O 3.13Å; A197-G201 PolarHBondContact O-N 2.97Å; Q198-G201 WeakPolarHBondContact O-CA 3.31Å; Q198-G201 PolarHBondContact O-N 3.5Å; S199-G201 VanDerWaalsContact C-N 3.3Å
202L98.8Very high97.8Very high4 Ų429.4 Ų29.42%0.02117%0.165CC..  trans-86.1134.5167.3-82.552.3000108.5I166 P177 L180 A197 I200I166-L202 HydrophobicContact CG2-CD2 4.31Å; P177-L202 HydrophobicContact CB-CD2 4.34Å; P177-L202 WeakPolarHBondContact O-CD1 3.31Å; P177-L202 WeakPolarHBondContact O-CG 3.42Å; L180-L202 HydrophobicContact CB-CD2 4.28Å; A197-L202 HydrophobicContact CB-CB 4.23Å; A197-L202 WeakPolarHBondContact O-CB 3.18Å; A197-L202 PolarHBondContact O-N 3.16Å; I200-L202 HydrophobicContact CD1-CD1 3.84Å; I200-L202 HydrophobicContact CD1-CD2 4.11Å; I200-L202 HydrophobicContact CG1-CD1 4.01Å
203T98.9Very high97.2Very high13 Ų1326.2 Ų26.28%0.0815%0.154CC..EExtended strand (participates in β ladder)trans-70.5151161.855.20000109.2L4 K5 M6 I12 A178 N179 L180 I253L4-T203 HydrophobicContact CB-CG2 4.17Å; K5-T203 WeakPolarHBondContact O-CG2 3.14Å; M6-T203 HydrophobicContact CB-CG2 4.4Å; M6-T203 HydrophobicContact CG-CG2 3.85Å; I12-T203 HydrophobicContact CG2-CG2 4.42Å; A178-T203 PolarHBondContact O-N 3.46Å; A178-T203 VanDerWaalsContact O-N 3.16Å; A178-T203 PolarHBondContact O-OG1 3.32Å; N179-T203 CarbonylContact C-O 3.4Å; N179-T203 VanDerWaalsContact CA-O 3.27Å; N179-T203 WeakPolarHBondContact CA-O 3.42Å; N179-T203 PolarHBondContact ND2-O 3.39Å; N179-T203 VanDerWaalsContact ND2-O 3.17Å; N179-T203 PolarHBondContact ND2-OG1 3.18Å; L180-T203 PolarHBondContact N-O 3.31Å; T203-I253 HydrophobicContact CG2-CD1 4.48Å
204V98.9Very high96.4Very high0 Ų030.7 Ų30.70%019%0.192CC..EExtended strand (participates in β ladder)trans-121.9127.6-178-1770000110.4L180 I182 I184 V194 A197 Q198 L252 I253L180-V204 CarbonylContact O-C 3.53Å; L180-V204 VanDerWaalsContact O-CA 3.29Å; L180-V204 WeakPolarHBondContact O-CA 3.3Å; I182-V204 HydrophobicContact CD1-CG1 3.98Å; I182-V204 HydrophobicContact CG1-CG1 3.88Å; I184-V204 HydrophobicContact CD1-CG1 3.57Å; V194-V204 HydrophobicContact CG2-CG1 4.27Å; A197-V204 HydrophobicContact CB-CG2 3.71Å; Q198-V204 HydrophobicContact CG-CG2 4.07Å; V204-L252 HydrophobicContact CB-CD2 3.76Å; V204-L252 HydrophobicContact CG1-CD2 3.98Å; V204-I253 WeakPolarHBondContact O-CD1 3.36Å; V204-I253 PolarHBondContact O-N 2.83Å
205T98.9Very high95.5Very high1 Ų132.3 Ų32.31%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-105.7120.7176.6-54.50000109.9N179 L180 Q181 I182 Y207 I253 V255N179-T205 PolarHBondContact ND2-OG1 3.23Å; N179-T205 PolarHBondContact OD1-OG1 3.41Å; L180-T205 PolarHBondContact O-N 3.26Å; Q181-T205 CarbonylContact C-O 3.57Å; Q181-T205 VanDerWaalsContact CA-O 3.3Å; Q181-T205 WeakPolarHBondContact CA-O 3.47Å; Q181-T205 HydrophobicContact CG-CG2 3.96Å; I182-T205 PolarHBondContact N-O 2.56Å; T205-Y207 PolarHBondContact O-N 3.26Å; T205-I253 CarbonylContact C-O 3.55Å; T205-I253 WeakPolarHBondContact CA-O 3.25Å; T205-I253 HydrophobicContact CG2-CB 4.19Å; T205-I253 HydrophobicContact CG2-CG2 4.03Å; T205-V255 HydrophobicContact CG2-CG1 3.81Å; T205-V255 HydrophobicContact CG2-CG2 4.02Å
206A98.9Very high94.3Very high0 Ų027.6 Ų27.60%019%0.186CC..EExtended strand (participates in β ladder)trans-82.8107.5174.400000110.6I182 I184 L247 I253 I254 V255I182-A206 WeakPolarHBondContact O-CA 3.13Å; I184-A206 HydrophobicContact CB-CB 3.74Å; I184-A206 HydrophobicContact CD1-CB 4.09Å; I184-A206 HydrophobicContact CG1-CB 4.25Å; A206-L247 HydrophobicContact CB-CD1 3.98Å; A206-I253 PolarHBondContact N-O 2.92Å; A206-I254 HydrophobicContact CB-CG2 4.39Å; A206-V255 WeakPolarHBondContact O-CG2 3.47Å; A206-V255 PolarHBondContact O-N 3.46Å
207Y98.6Very high93Very high31 Ų3131.7 Ų31.712%0.12222%0.216CC..EExtended strand (participates in β ladder)trans-85.5158.9162.580.4-106.9000110.5N160 Q181 I182 E183 I184 T205 P209 F293N160-Y207 WeakPolarHBondContact OD1-CE1 3.39Å; N160-Y207 PolarHBondContact OD1-OH 2.96Å; Q181-Y207 HydrophobicContact CG-CD1 4.16Å; I182-Y207 WeakPolarHBondContact O-CD1 3.41Å; I182-Y207 PolarHBondContact O-N 2.99Å; E183-Y207 HydrophobicContact CB-CE1 4.09Å; E183-Y207 HydrophobicContact CB-CE2 3.77Å; E183-Y207 WeakPolarHBondContact CB-OH 3.46Å; E183-Y207 HydrophobicContact CG-CE2 3.88Å; I184-Y207 PolarHBondContact N-O 3.38Å; T205-Y207 PolarHBondContact O-N 3.26Å; Y207-P209 VanDerWaalsContact C-CD 3.43Å; Y207-P209 VanDerWaalsContact C-N 3.35Å; Y207-F293 HydrophobicContact CE2-CB 4.36Å; Y207-F293 AromaticContact CE2-CD2 3.64Å; Y207-F293 HydrophobicContact CE2-CD2 3.64Å; Y207-F293 HydrophobicContact CE2-CE2 4.19Å; Y207-F293 HydrophobicContact CE2-CG 4.13Å
208A97.1Very high91.9Very high12 Ų1236 Ų3610%0.09926%0.261CS..SBendtrans52.742.2-171.800000114.2H185 L210 G211 S212 F293H185-A208 PolarHBondContact CD2-O 3.19Å; H185-A208 VanDerWaalsContact CD2-O 3.28Å; A208-L210 PolarHBondContact O-N 3.01Å; A208-G211 PolarHBondContact O-N 2.97Å; A208-S212 WeakPolarHBondContact CB-OG 3.28Å; A208-F293 HydrophobicContact CB-CD2 4.35Å; A208-F293 HydrophobicContact CB-CE2 3.57Å; A208-F293 HydrophobicContact CB-CZ 4.36Å
209P98.2Very high91Very high4 Ų438.3 Ų38.33%0.02627%0.267CS..THydrogen-bonded Turntrans-62.5-17.1-171.528.4-37.6000114.4I184 Y207 L244 L247 I254 P256I184-P209 WeakPolarHBondContact O-CA 3.17Å; Y207-P209 VanDerWaalsContact C-CD 3.43Å; Y207-P209 VanDerWaalsContact C-N 3.35Å; P209-L244 HydrophobicContact CB-CD2 3.76Å; P209-L244 HydrophobicContact CG-CD2 3.82Å; P209-L247 HydrophobicContact CB-CD1 3.32Å; P209-I254 HydrophobicContact CB-CB 4.46Å; P209-I254 HydrophobicContact CB-CG2 4.33Å; P209-P256 HydrophobicContact CG-CB 4.04Å
210L96.9Very high90.3Very high24 Ų2436.9 Ų36.913%0.12625%0.254CS..THydrogen-bonded Turntrans-103.210.7177.1-58.3179.9000113.4A208 S212 P213 L223 A240 L243 L244 P256A208-L210 PolarHBondContact O-N 3.01Å; L210-S212 PolarHBondContact O-N 2.77Å; L210-P213 WeakPolarHBondContact O-CD 3.22Å; L210-L223 HydrophobicContact CD2-CD2 4.39Å; L210-A240 HydrophobicContact CD1-CB 4.21Å; L210-A240 HydrophobicContact CD2-CB 3.97Å; L210-L243 HydrophobicContact CD2-CB 3.92Å; L210-L243 HydrophobicContact CD2-CD1 4.17Å; L210-L244 HydrophobicContact CD2-CD2 3.74Å; L210-L244 HydrophobicContact CD2-CG 3.89Å; L210-L244 HydrophobicContact CG-CD2 4.14Å; L210-P256 HydrophobicContact CD1-CB 4.44Å
211G93.9Very high90Very high9 Ų937.8 Ų37.89%0.09326%0.259CS..  trans761.6-176.300000115.2A208 Q292A208-G211 PolarHBondContact O-N 2.97Å; G211-Q292 PolarHBondContact O-NE2 2.79Å; G211-Q292 PolarHBondContact O-OE1 3.47Å
212S89.5Confident89.7Confident25 Ų2536.1 Ų36.118%0.17524%0.242CC..  trans48.755.5179-53.30000114.6A208 L210 A214 A215 S216A208-S212 WeakPolarHBondContact CB-OG 3.28Å; L210-S212 PolarHBondContact O-N 2.77Å; S212-A214 VanDerWaalsContact C-N 3.26Å; S212-A214 PolarHBondContact O-N 3.08Å; S212-A214 VanDerWaalsContact O-N 3.13Å; S212-A215 PolarHBondContact O-N 3.04Å; S212-S216 PolarHBondContact O-N 2.73Å
213P84.7Confident89.6Confident47 Ų4737.9 Ų37.931%0.30525%0.251SS..G310 helixtrans-55.8-37.7-17221-33.4000113.3L210 A215 S216 L223L210-P213 WeakPolarHBondContact O-CD 3.22Å; P213-A215 VanDerWaalsContact C-N 3.27Å; P213-A215 PolarHBondContact O-N 2.83Å; P213-S216 CarbonylContact O-C 3.42Å; P213-S216 PolarHBondContact O-N 3.07Å; P213-L223 HydrophobicContact CG-CD1 4.15Å
214A82.8Confident89.4Confident97 Ų9743.1 Ų43.180%0.80228%0.276SS*.G310 helixtrans-65-26176.900000114.2S212S212-A214 VanDerWaalsContact C-N 3.26Å; S212-A214 PolarHBondContact O-N 3.08Å; S212-A214 VanDerWaalsContact O-N 3.13Å
215A78.5Confident89.3Confident37 Ų3745.3 Ų45.331%0.30629%0.286SS..G310 helixtrans-96.40.1179.700000112.8W20 S212 P213W20-A215 HydrophobicContact CH2-CB 3.77Å; W20-A215 HydrophobicContact CZ3-CB 3.87Å; S212-A215 PolarHBondContact O-N 3.04Å; P213-A215 VanDerWaalsContact C-N 3.27Å; P213-A215 PolarHBondContact O-N 2.83Å
216S74.5Confident89.2Confident20 Ų2049.6 Ų49.614%0.1431%0.314CS..SBendtrans-142.661.4-179.9-74.50000111.4S212 P213 G218 R219 Q292S212-S216 PolarHBondContact O-N 2.73Å; P213-S216 CarbonylContact O-C 3.42Å; P213-S216 PolarHBondContact O-N 3.07Å; S216-G218 PolarHBondContact O-N 3.13Å; S216-R219 PolarHBondContact O-N 3.18Å; S216-Q292 WeakPolarHBondContact OG-CG 3.48Å; S216-Q292 PolarHBondContact OG-NE2 3.06Å
217P71.5Confident89Confident117 Ų11750.5 Ų50.576%0.7632%0.317SS*.THydrogen-bonded Turntrans-57.1138174.927.2-34.8000110.1R219P217-R219 VanDerWaalsContact C-N 3.31Å; P217-R219 PolarHBondContact O-N 3.29Å
218G75.3Confident89Confident90 Ų9049 Ų4993%0.92831%0.312SS*.THydrogen-bonded Turntrans85.2-5.9-178.900000115.1S216S216-G218 PolarHBondContact O-N 3.13Å
219R80.1Confident89.1Confident110 Ų11051.8 Ų51.842%0.41533%0.325SS..SBendtrans-85.6164.3165.1-64.1-162.2-179.1-148.86.6110.8S216 P217 D221 Q292S216-R219 PolarHBondContact O-N 3.18Å; P217-R219 VanDerWaalsContact C-N 3.31Å; P217-R219 PolarHBondContact O-N 3.29Å; R219-D221 PolarHBondContact O-N 2.88Å; R219-Q292 VanDerWaalsContact NH1-CA 3.33Å
220V83.9Confident89.1Confident62 Ų6257.9 Ų57.938%0.37635%0.353SS..  trans-54.3121170.7168.70000110.2N187 L222 E225 L288N187-V220 WeakPolarHBondContact ND2-CG1 3.22Å; V220-L222 PolarHBondContact O-N 3.13Å; V220-E225 HydrophobicContact CG1-CG 3.69Å; V220-E225 WeakPolarHBondContact CG1-OE1 3.46Å; V220-L288 HydrophobicContact CG2-CD1 4.1Å
221D91.8Very high89.2Confident55 Ų5557 Ų5729%0.29435%0.348SS..  trans-83.2105171.4-172.9-6.9000109.5R219 L223 M224 E225R219-D221 PolarHBondContact O-N 2.88Å; D221-L223 PolarHBondContact O-N 3.46Å; D221-L223 VanDerWaalsContact O-N 3.08Å; D221-L223 WeakPolarHBondContact OD1-CB 3.11Å; D221-L223 PolarHBondContact OD1-N 3.45Å; D221-M224 HydrophobicContact CB-CB 4.29Å; D221-M224 HydrophobicContact CB-CG 4.14Å; D221-M224 PolarHBondContact O-N 2.9Å; D221-E225 PolarHBondContact O-N 2.95Å
222L92.8Very high89.4Confident1 Ų156.7 Ų56.71%0.00535%0.345CS..THydrogen-bonded Turntrans-53.9-28177.1-81.1176.4000113.3H185 A186 N187 V220 M224 E225 W227 V228 L243H185-L222 HydrophobicContact CB-CD1 3.85Å; A186-L222 HydrophobicContact CB-CD1 4.39Å; A186-L222 HydrophobicContact CB-CD2 4.01Å; N187-L222 HydrophobicContact CB-CD1 4.11Å; N187-L222 HydrophobicContact CB-CD2 3.95Å; N187-L222 HydrophobicContact CB-CG 4.18Å; N187-L222 WeakPolarHBondContact ND2-CD2 3.42Å; N187-L222 WeakPolarHBondContact OD1-CD2 3.47Å; V220-L222 PolarHBondContact O-N 3.13Å; L222-M224 PolarHBondContact O-N 3.28Å; L222-E225 HydrophobicContact CD2-CG 4.44Å; L222-W227 HydrophobicContact CD2-CH2 3.77Å; L222-W227 HydrophobicContact CD2-CZ2 3.97Å; L222-V228 WeakPolarHBondContact O-CG2 3.37Å; L222-L243 HydrophobicContact CB-CD1 3.79Å
223L95.4Very high89.9Confident41 Ų4164.2 Ų64.222%0.21537%0.374CS..THydrogen-bonded Turntrans-71.5-17.1178.9-60.8172.3000112.6L210 P213 D221 P239 A240 L243L210-L223 HydrophobicContact CD2-CD2 4.39Å; P213-L223 HydrophobicContact CG-CD1 4.15Å; D221-L223 PolarHBondContact O-N 3.46Å; D221-L223 VanDerWaalsContact O-N 3.08Å; D221-L223 WeakPolarHBondContact OD1-CB 3.11Å; D221-L223 PolarHBondContact OD1-N 3.45Å; L223-P239 HydrophobicContact CB-CB 4.35Å; L223-P239 HydrophobicContact CD2-CB 4.11Å; L223-P239 VanDerWaalsContact O-CB 3.29Å; L223-P239 WeakPolarHBondContact O-CB 3.33Å; L223-P239 WeakPolarHBondContact O-CG 3.47Å; L223-A240 HydrophobicContact CD2-CB 3.86Å; L223-L243 HydrophobicContact CD2-CD1 3.85Å
224M95.8Very high90.5Very high122 Ų12268.6 Ų68.660%0.60139%0.391SS*.THydrogen-bonded Turntrans-111.8-1.9-176.2-57.9-54.5-60.200113.1D221 L222 L229D221-M224 HydrophobicContact CB-CB 4.29Å; D221-M224 HydrophobicContact CB-CG 4.14Å; D221-M224 PolarHBondContact O-N 2.9Å; L222-M224 PolarHBondContact O-N 3.28Å; M224-L229 VanDerWaalsContact O-CD1 3.3Å; M224-L229 WeakPolarHBondContact O-CD1 3.31Å
225E96.1Very high91.3Very high47 Ų4766.4 Ų66.422%0.2236%0.363CS..  trans-62.5129.1178.4-83.3-61.4125.800111V220 D221 L222 W227 V228 L229V220-E225 HydrophobicContact CG1-CG 3.69Å; V220-E225 WeakPolarHBondContact CG1-OE1 3.46Å; D221-E225 PolarHBondContact O-N 2.95Å; L222-E225 HydrophobicContact CD2-CG 4.44Å; E225-W227 HydrophobicContact CB-CD2 4.24Å; E225-W227 HydrophobicContact CB-CG 4.48Å; E225-W227 HydrophobicContact CB-CZ2 3.9Å; E225-W227 HydrophobicContact CG-CZ2 3.83Å; E225-W227 PolarHBondContact O-N 3.01Å; E225-W227 VanDerWaalsContact O-N 3.12Å; E225-W227 PolarHBondContact OE2-NE1 3.32Å; E225-V228 HydrophobicContact CB-CB 4.3Å; E225-V228 HydrophobicContact CB-CG2 3.89Å; E225-V228 PolarHBondContact O-N 2.84Å; E225-L229 WeakPolarHBondContact O-CG 3.23Å; E225-L229 PolarHBondContact O-N 3.18Å
226P96.9Very high92.2Very high91 Ų9167.8 Ų67.859%0.59138%0.382SS*.Hα-helixtrans-55.1-36.6-174.3-29.235.4000114.2L229 Q230P226-L229 PolarHBondContact O-N 3.43Å; P226-Q230 WeakPolarHBondContact O-CB 3.41Å; P226-Q230 PolarHBondContact O-N 3.23Å
227W95.6Very high93.3Very high18 Ų1868.9 Ų68.97%0.06838%0.384CS..Hα-helixtrans-70.7-35.9177.947-86.6000112.7A186 L222 E225 I231 E282 L283 K286A186-W227 HydrophobicContact CB-CH2 3.63Å; A186-W227 HydrophobicContact CB-CZ3 3.98Å; L222-W227 HydrophobicContact CD2-CH2 3.77Å; L222-W227 HydrophobicContact CD2-CZ2 3.97Å; E225-W227 HydrophobicContact CB-CD2 4.24Å; E225-W227 HydrophobicContact CB-CG 4.48Å; E225-W227 HydrophobicContact CB-CZ2 3.9Å; E225-W227 HydrophobicContact CG-CZ2 3.83Å; E225-W227 PolarHBondContact O-N 3.01Å; E225-W227 VanDerWaalsContact O-N 3.12Å; E225-W227 PolarHBondContact OE2-NE1 3.32Å; W227-I231 WeakPolarHBondContact O-CD1 3.23Å; W227-I231 VanDerWaalsContact O-CG1 3.27Å; W227-I231 WeakPolarHBondContact O-CG1 3.47Å; W227-I231 PolarHBondContact O-N 2.88Å; W227-E282 HydrophobicContact CB-CG 4.33Å; W227-E282 WeakPolarHBondContact CB-OE1 3.24Å; W227-L283 HydrophobicContact CE3-CD2 4.42Å; W227-L283 HydrophobicContact CZ3-CD2 3.74Å; W227-L283 HydrophobicContact CZ3-CG 4.3Å; W227-K286 HydrophobicContact CB-CD 3.62Å; W227-K286 HydrophobicContact CD2-CB 3.91Å; W227-K286 HydrophobicContact CD2-CD 4.1Å; W227-K286 HydrophobicContact CE3-CB 4.34Å; W227-K286 HydrophobicContact CG-CB 4.19Å; W227-K286 HydrophobicContact CG-CD 3.56Å; W227-K286 HydrophobicContact CZ2-CB 4.37Å
228V98.3Very high94.6Very high0 Ų065 Ų650%036%0.358CS..Hα-helixtrans-67.8-44.3172.2-1770000110.4L222 E225 Q230 I231 A232 P239 V242 L243L222-V228 WeakPolarHBondContact O-CG2 3.37Å; E225-V228 HydrophobicContact CB-CB 4.3Å; E225-V228 HydrophobicContact CB-CG2 3.89Å; E225-V228 PolarHBondContact O-N 2.84Å; V228-Q230 VanDerWaalsContact C-N 3.31Å; V228-Q230 PolarHBondContact O-N 3.13Å; V228-I231 PolarHBondContact O-N 3.35Å; V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.27Å; V228-A232 PolarHBondContact O-N 3.28Å; V228-P239 HydrophobicContact CG1-CB 3.77Å; V228-V242 HydrophobicContact CG1-CG1 4.4Å; V228-L243 HydrophobicContact CG1-CD1 4.31Å; V228-L243 HydrophobicContact CG1-CD2 4.13Å; V228-L243 HydrophobicContact CG1-CG 3.93Å; V228-L243 HydrophobicContact CG2-CD2 3.92Å
229L98.6Very high95.7Very high71 Ų7162.2 Ų62.237%0.37232%0.323SS..Hα-helixtrans-61.4-39.3178.4-69.5171.5000112.1M224 E225 P226 A232 K233 P239M224-L229 VanDerWaalsContact O-CD1 3.3Å; M224-L229 WeakPolarHBondContact O-CD1 3.31Å; E225-L229 WeakPolarHBondContact O-CG 3.23Å; E225-L229 PolarHBondContact O-N 3.18Å; P226-L229 PolarHBondContact O-N 3.43Å; L229-A232 PolarHBondContact O-N 3.36Å; L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 PolarHBondContact O-N 3.3Å; L229-P239 HydrophobicContact CD2-CG 3.65Å
230Q98.6Very high96.6Very high132 Ų13257.6 Ų57.662%0.61731%0.309SS*.Hα-helixtrans-64.9-46.9177.9-177.2173.5-2.300111.7P226 V228 A232 K233 H234P226-Q230 WeakPolarHBondContact O-CB 3.41Å; P226-Q230 PolarHBondContact O-N 3.23Å; V228-Q230 VanDerWaalsContact C-N 3.31Å; V228-Q230 PolarHBondContact O-N 3.13Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-A232 PolarHBondContact O-N 3.05Å; Q230-K233 PolarHBondContact O-N 3.41Å; Q230-H234 PolarHBondContact O-N 3.49Å
231I98.7Very high97.3Very high4 Ų455.6 Ų55.62%0.02130%0.295CS..Hα-helixtrans-62.6-43.1175.7-63168.1000110.1W227 V228 K233 H234 H235 V242 L275 E279 E282 L283W227-I231 WeakPolarHBondContact O-CD1 3.23Å; W227-I231 VanDerWaalsContact O-CG1 3.27Å; W227-I231 WeakPolarHBondContact O-CG1 3.47Å; W227-I231 PolarHBondContact O-N 2.88Å; V228-I231 PolarHBondContact O-N 3.35Å; I231-K233 VanDerWaalsContact C-N 3.33Å; I231-K233 PolarHBondContact O-N 3.36Å; I231-H234 WeakPolarHBondContact O-CB 3.17Å; I231-H234 PolarHBondContact O-N 3.38Å; I231-H234 VanDerWaalsContact O-N 3.13Å; I231-H235 PolarHBondContact O-CD2 3.32Å; I231-H235 PolarHBondContact O-N 2.69Å; I231-H235 VanDerWaalsContact O-N 3.12Å; I231-V242 HydrophobicContact CB-CG1 4.05Å; I231-V242 HydrophobicContact CG2-CB 4.43Å; I231-V242 HydrophobicContact CG2-CG1 3.54Å; I231-V242 HydrophobicContact CG2-CG2 3.95Å; I231-L275 HydrophobicContact CG2-CD2 3.54Å; I231-E279 HydrophobicContact CD1-CB 4.16Å; I231-E279 HydrophobicContact CD1-CG 4.39Å; I231-E279 HydrophobicContact CG1-CB 4.43Å; I231-E279 HydrophobicContact CG1-CG 4.13Å; I231-E279 HydrophobicContact CG2-CB 4.46Å; I231-E279 HydrophobicContact CG2-CG 4.3Å; I231-E282 HydrophobicContact CD1-CG 4.47Å; I231-L283 HydrophobicContact CD1-CD1 3.97Å; I231-L283 HydrophobicContact CD1-CG 4.04Å
232A98.7Very high97.6Very high4 Ų453 Ų533%0.03328%0.281CS..Hα-helixtrans-59.2-44.417800000111.9V228 L229 Q230 H234 H235 G236 K237 P239 V242V228-A232 VanDerWaalsContact O-CB 3.28Å; V228-A232 WeakPolarHBondContact O-CB 3.27Å; V228-A232 PolarHBondContact O-N 3.28Å; L229-A232 PolarHBondContact O-N 3.36Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-A232 PolarHBondContact O-N 3.05Å; A232-H234 PolarHBondContact O-N 2.98Å; A232-H235 PolarHBondContact O-N 2.97Å; A232-G236 PolarHBondContact O-N 3.34Å; A232-K237 CarbonylContact C-O 3.55Å; A232-K237 WeakPolarHBondContact CB-O 3.28Å; A232-K237 PolarHBondContact O-N 2.81Å; A232-P239 HydrophobicContact CB-CG 4.16Å; A232-V242 HydrophobicContact CB-CG2 3.86Å
233K98.6Very high97.9Very high182 Ų18253 Ų5379%0.79128%0.281SS*.Hα-helixtrans-62.3-41.4174.6-176.4-179.8177.8-177.50112.1L229 Q230 I231 H235 G236L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 PolarHBondContact O-N 3.3Å; Q230-K233 PolarHBondContact O-N 3.41Å; I231-K233 VanDerWaalsContact C-N 3.33Å; I231-K233 PolarHBondContact O-N 3.36Å; K233-H235 VanDerWaalsContact C-N 3.32Å; K233-H235 PolarHBondContact O-N 2.71Å; K233-G236 PolarHBondContact O-N 2.6Å
234H98.4Very high98.1Very high140 Ų14051 Ų5165%0.64827%0.271SS*.Hα-helixtrans-60.3-40.9179.6-177.8-156.5000112.1Q230 I231 A232 E279Q230-H234 PolarHBondContact O-N 3.49Å; I231-H234 WeakPolarHBondContact O-CB 3.17Å; I231-H234 PolarHBondContact O-N 3.38Å; I231-H234 VanDerWaalsContact O-N 3.13Å; A232-H234 PolarHBondContact O-N 2.98Å; H234-E279 IonicContact CE1-OE1 2.6Å; H234-E279 IonicContact CG-OE1 2.77Å; H234-E279 IonicContact ND1-OE1 2.81Å; H234-E279 PolarHBondContact ND1-OE1 2.72Å
235H98.5Very high98.2Very high50 Ų5045.9 Ų45.923%0.23125%0.245CC..Hα-helixtrans-89.4-5.5-180-71.7-79.5000114.7I231 A232 K233 K237 F273 Q274 E279I231-H235 PolarHBondContact O-CD2 3.32Å; I231-H235 PolarHBondContact O-N 2.69Å; I231-H235 VanDerWaalsContact O-N 3.12Å; A232-H235 PolarHBondContact O-N 2.97Å; K233-H235 VanDerWaalsContact C-N 3.32Å; K233-H235 PolarHBondContact O-N 2.71Å; H235-K237 VanDerWaalsContact C-N 3.26Å; H235-K237 HydrophobicContact CB-CB 4.23Å; H235-K237 HydrophobicContact CB-CG 3.79Å; H235-K237 PolarHBondContact O-N 3.45Å; H235-F273 HydrophobicContact CB-CD2 3.97Å; H235-F273 HydrophobicContact CB-CE2 4.33Å; H235-F273 AromaticContact CG-CD2 3.73Å; H235-F273 AromaticContact ND1-CD2 3.67Å; H235-Q274 PolarHBondContact CE1-O 2.78Å; H235-E279 IonicContact CD2-OE1 2.64Å; H235-E279 IonicContact CD2-OE2 3.1Å; H235-E279 IonicContact CE1-OE2 2.71Å; H235-E279 VanDerWaalsContact NE2-CD 3.26Å; H235-E279 IonicContact NE2-OE1 2.72Å; H235-E279 PolarHBondContact NE2-OE1 2.86Å; H235-E279 IonicContact NE2-OE2 3.81Å; H235-E279 PolarHBondContact NE2-OE2 3.18Å
236G98Very high98.3Very high67 Ų6743.7 Ų43.769%0.69124%0.235SC*.THydrogen-bonded Turntrans62.534.6-170.900000112.6A232 K233A232-G236 PolarHBondContact O-N 3.34Å; K233-G236 PolarHBondContact O-N 2.6Å
237K98.5Very high98.4Very high42 Ų4239.4 Ų39.418%0.18321%0.207CC..  trans-117167.8-176.3-65.3-67.9169.81760111.2A232 H235 Q241 V242 D272 F273A232-K237 CarbonylContact C-O 3.55Å; A232-K237 WeakPolarHBondContact CB-O 3.28Å; A232-K237 PolarHBondContact O-N 2.81Å; H235-K237 VanDerWaalsContact C-N 3.26Å; H235-K237 HydrophobicContact CB-CB 4.23Å; H235-K237 HydrophobicContact CB-CG 3.79Å; H235-K237 PolarHBondContact O-N 3.45Å; K237-Q241 HydrophobicContact CB-CB 4.09Å; K237-V242 HydrophobicContact CB-CG2 4.46Å; K237-D272 IonicContact NZ-OD1 3.91Å; K237-D272 PolarHBondContact NZ-OD1 2.95Å; K237-D272 IonicContact NZ-OD2 3.73Å; K237-D272 PolarHBondContact NZ-OD2 3.33Å; K237-F273 HydrophobicContact CB-CZ 4.36Å; K237-F273 HydrophobicContact CD-CD1 3.87Å; K237-F273 HydrophobicContact CD-CE1 3.94Å; K237-F273 HydrophobicContact CD-CG 4.4Å; K237-F273 HydrophobicContact CG-CD1 3.92Å; K237-F273 HydrophobicContact CG-CD2 4.17Å; K237-F273 HydrophobicContact CG-CE1 3.87Å; K237-F273 HydrophobicContact CG-CE2 4.12Å; K237-F273 HydrophobicContact CG-CG 4.06Å; K237-F273 HydrophobicContact CG-CZ 3.97Å
238T98.5Very high98.6Very high37 Ų3739 Ų3923%0.22721%0.206CC..  trans-78.6155.317171.90000111A240 Q241 V242T238-A240 PolarHBondContact O-N 3.21Å; T238-Q241 WeakPolarHBondContact O-CB 3.45Å; T238-Q241 PolarHBondContact O-N 3.04Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.49Å; T238-Q241 PolarHBondContact OG1-N 3.48Å; T238-Q241 VanDerWaalsContact OG1-N 3.14Å; T238-V242 PolarHBondContact O-N 2.89Å; T238-V242 VanDerWaalsContact O-N 3.1Å
239P98.4Very high98.6Very high30 Ų3041.7 Ų41.720%0.19522%0.219CC..Hα-helixtrans-53.8-38.1171.7-30.939.6000112.9L223 V228 L229 A232 V242 L243L223-P239 HydrophobicContact CB-CB 4.35Å; L223-P239 HydrophobicContact CD2-CB 4.11Å; L223-P239 VanDerWaalsContact O-CB 3.29Å; L223-P239 WeakPolarHBondContact O-CB 3.33Å; L223-P239 WeakPolarHBondContact O-CG 3.47Å; V228-P239 HydrophobicContact CG1-CB 3.77Å; L229-P239 HydrophobicContact CD2-CG 3.65Å; A232-P239 HydrophobicContact CB-CG 4.16Å; P239-V242 PolarHBondContact O-N 3.26Å; P239-L243 VanDerWaalsContact O-CG 3.31Å; P239-L243 WeakPolarHBondContact O-CG 3.46Å; P239-L243 PolarHBondContact O-N 3.23Å
240A98.5Very high98.6Very high13 Ų1339.9 Ų39.911%0.10721%0.207CC..Hα-helixtrans-61-47.417500000111.4L210 L223 T238 V242 L243 L244L210-A240 HydrophobicContact CD1-CB 4.21Å; L210-A240 HydrophobicContact CD2-CB 3.97Å; L223-A240 HydrophobicContact CD2-CB 3.86Å; T238-A240 PolarHBondContact O-N 3.21Å; A240-V242 VanDerWaalsContact C-N 3.31Å; A240-V242 PolarHBondContact O-N 3.07Å; A240-L243 PolarHBondContact O-N 2.84Å; A240-L244 WeakPolarHBondContact O-CB 3.38Å; A240-L244 VanDerWaalsContact O-CG 3.23Å; A240-L244 WeakPolarHBondContact O-CG 3.48Å; A240-L244 PolarHBondContact O-N 3.08Å
241Q98.8Very high98.5Very high20 Ų2037.9 Ų37.99%0.09320%0.201CC..Hα-helixtrans-59.6-40.8178-75.6171.2-35.900112.3K237 T238 L244 R245 E266 G269 V270 F273K237-Q241 HydrophobicContact CB-CB 4.09Å; T238-Q241 WeakPolarHBondContact O-CB 3.45Å; T238-Q241 PolarHBondContact O-N 3.04Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.49Å; T238-Q241 PolarHBondContact OG1-N 3.48Å; T238-Q241 VanDerWaalsContact OG1-N 3.14Å; Q241-L244 PolarHBondContact O-N 3.46Å; Q241-R245 VanDerWaalsContact O-CB 3.23Å; Q241-R245 WeakPolarHBondContact O-CB 3.45Å; Q241-R245 PolarHBondContact O-N 2.95Å; Q241-E266 VanDerWaalsContact CG-O 3.23Å; Q241-E266 WeakPolarHBondContact CG-O 3.24Å; Q241-E266 PolarHBondContact NE2-O 2.98Å; Q241-G269 PolarHBondContact NE2-O 3.43Å; Q241-G269 VanDerWaalsContact NE2-O 3.08Å; Q241-V270 HydrophobicContact CB-CG1 4.1Å; Q241-V270 HydrophobicContact CG-CG1 3.96Å; Q241-F273 HydrophobicContact CB-CE1 4.26Å; Q241-F273 HydrophobicContact CB-CZ 4.27Å
242V98.8Very high98.5Very high0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-60.9-50.4175.11700000111.5V228 I231 A232 K237 T238 P239 A240 L244 R245 Y246 F273 L275 L283V228-V242 HydrophobicContact CG1-CG1 4.4Å; I231-V242 HydrophobicContact CB-CG1 4.05Å; I231-V242 HydrophobicContact CG2-CB 4.43Å; I231-V242 HydrophobicContact CG2-CG1 3.54Å; I231-V242 HydrophobicContact CG2-CG2 3.95Å; A232-V242 HydrophobicContact CB-CG2 3.86Å; K237-V242 HydrophobicContact CB-CG2 4.46Å; T238-V242 PolarHBondContact O-N 2.89Å; T238-V242 VanDerWaalsContact O-N 3.1Å; P239-V242 PolarHBondContact O-N 3.26Å; A240-V242 VanDerWaalsContact C-N 3.31Å; A240-V242 PolarHBondContact O-N 3.07Å; V242-L244 VanDerWaalsContact C-N 3.31Å; V242-L244 PolarHBondContact O-N 3.15Å; V242-R245 PolarHBondContact O-N 3.35Å; V242-Y246 WeakPolarHBondContact O-CB 3.39Å; V242-Y246 PolarHBondContact O-N 3.19Å; V242-F273 HydrophobicContact CG2-CE2 4.48Å; V242-L275 HydrophobicContact CG1-CD2 4.17Å; V242-L283 HydrophobicContact CG1-CD1 4.19Å; V242-L283 HydrophobicContact CG1-CD2 4.35Å
243L98.8Very high98.6Very high1 Ų137.5 Ų37.51%0.00520%0.198CC..Hα-helixtrans-62.9-37.1-179.7-68171000112.4A186 L210 L222 L223 V228 P239 A240 Y246 L247 L283A186-L243 HydrophobicContact CB-CD2 3.65Å; L210-L243 HydrophobicContact CD2-CB 3.92Å; L210-L243 HydrophobicContact CD2-CD1 4.17Å; L222-L243 HydrophobicContact CB-CD1 3.79Å; L223-L243 HydrophobicContact CD2-CD1 3.85Å; V228-L243 HydrophobicContact CG1-CD1 4.31Å; V228-L243 HydrophobicContact CG1-CD2 4.13Å; V228-L243 HydrophobicContact CG1-CG 3.93Å; V228-L243 HydrophobicContact CG2-CD2 3.92Å; P239-L243 VanDerWaalsContact O-CG 3.31Å; P239-L243 WeakPolarHBondContact O-CG 3.46Å; P239-L243 PolarHBondContact O-N 3.23Å; A240-L243 PolarHBondContact O-N 2.84Å; L243-Y246 WeakPolarHBondContact O-CB 3.44Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 3.13Å; L243-L283 HydrophobicContact CD2-CD2 4Å
244L98.8Very high98.6Very high0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-71.1-44.6175.8-67-176.1000111.9P209 L210 A240 Q241 V242 Y246 L247 I248 I254 P256 N267 V270P209-L244 HydrophobicContact CB-CD2 3.76Å; P209-L244 HydrophobicContact CG-CD2 3.82Å; L210-L244 HydrophobicContact CD2-CD2 3.74Å; L210-L244 HydrophobicContact CD2-CG 3.89Å; L210-L244 HydrophobicContact CG-CD2 4.14Å; A240-L244 WeakPolarHBondContact O-CB 3.38Å; A240-L244 VanDerWaalsContact O-CG 3.23Å; A240-L244 WeakPolarHBondContact O-CG 3.48Å; A240-L244 PolarHBondContact O-N 3.08Å; Q241-L244 PolarHBondContact O-N 3.46Å; V242-L244 VanDerWaalsContact C-N 3.31Å; V242-L244 PolarHBondContact O-N 3.15Å; L244-Y246 VanDerWaalsContact C-N 3.29Å; L244-Y246 PolarHBondContact O-N 3.21Å; L244-L247 PolarHBondContact O-N 2.97Å; L244-I248 PolarHBondContact O-N 3.42Å; L244-I254 HydrophobicContact CB-CD1 3.7Å; L244-I254 HydrophobicContact CD1-CD1 4.2Å; L244-I254 HydrophobicContact CD2-CB 4.5Å; L244-I254 HydrophobicContact CD2-CD1 3.79Å; L244-I254 HydrophobicContact CG-CD1 4.05Å; L244-P256 HydrophobicContact CD1-CB 4.26Å; L244-P256 HydrophobicContact CD1-CG 3.99Å; L244-P256 HydrophobicContact CD2-CB 4.03Å; L244-P256 HydrophobicContact CD2-CG 4.12Å; L244-N267 HydrophobicContact CD1-CB 3.71Å; L244-V270 HydrophobicContact CB-CG1 3.92Å; L244-V270 HydrophobicContact CD1-CG1 4.29Å
245R98.6Very high98.6Very high15 Ų1522.5 Ų22.56%0.05713%0.131CC..Hα-helixtrans-61.2-39.8177.2-178.369.8-160171.5-1.4111.7Q241 V242 L247 I248 Q249 V270 F273 L275Q241-R245 VanDerWaalsContact O-CB 3.23Å; Q241-R245 WeakPolarHBondContact O-CB 3.45Å; Q241-R245 PolarHBondContact O-N 2.95Å; V242-R245 PolarHBondContact O-N 3.35Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.19Å; R245-I248 PolarHBondContact O-N 3.3Å; R245-Q249 HydrophobicContact CG-CG 4.5Å; R245-Q249 WeakPolarHBondContact O-CB 3.38Å; R245-Q249 PolarHBondContact O-N 3.01Å; R245-V270 WeakPolarHBondContact CD-O 3.48Å; R245-V270 PolarHBondContact NH1-O 2.7Å; R245-F273 HydrophobicContact CB-CE1 3.95Å; R245-F273 HydrophobicContact CB-CE2 3.93Å; R245-F273 HydrophobicContact CB-CZ 3.39Å; R245-F273 WeakPolarHBondContact CD-O 3.32Å; R245-F273 HydrophobicContact CG-CD2 4.35Å; R245-F273 HydrophobicContact CG-CE1 4.14Å; R245-F273 HydrophobicContact CG-CE2 3.82Å; R245-F273 HydrophobicContact CG-CZ 3.71Å; R245-F273 VanDerWaalsContact CZ-O 3.25Å; R245-F273 PolarHBondContact NE-O 3.07Å; R245-L275 HydrophobicContact CB-CD1 4.27Å; R245-L275 HydrophobicContact CG-CD1 4.13Å; R245-L275 HydrophobicContact CG-CG 4Å
246Y98.7Very high98.6Very high0 Ų020.2 Ų20.20%012%0.121CC..Hα-helixtrans-52-50.8173.6162.5-117000112.2A186 V242 L243 L244 Q249 R250 M280 L283 N284A186-Y246 HydrophobicContact CB-CD1 4.44Å; A186-Y246 HydrophobicContact CB-CE1 4.26Å; V242-Y246 WeakPolarHBondContact O-CB 3.39Å; V242-Y246 PolarHBondContact O-N 3.19Å; L243-Y246 WeakPolarHBondContact O-CB 3.44Å; L244-Y246 VanDerWaalsContact C-N 3.29Å; L244-Y246 PolarHBondContact O-N 3.21Å; Y246-Q249 PolarHBondContact O-N 3.01Å; Y246-R250 VanDerWaalsContact CE2-CD 3.5Å; Y246-R250 HydrophobicContact CE2-CG 4.22Å; Y246-R250 VanDerWaalsContact CZ-CD 3.47Å; Y246-R250 PolarHBondContact O-N 3.44Å; Y246-R250 WeakPolarHBondContact OH-CD 3.45Å; Y246-R250 PolarHBondContact OH-NH1 3.03Å; Y246-M280 HydrophobicContact CD2-CE 3.76Å; Y246-M280 HydrophobicContact CD2-SD 3.85Å; Y246-M280 HydrophobicContact CE2-CE 4.1Å; Y246-L283 HydrophobicContact CD1-CB 4.34Å; Y246-L283 HydrophobicContact CD1-CD2 4.31Å; Y246-L283 HydrophobicContact CD2-CB 3.46Å; Y246-L283 VanDerWaalsContact CD2-CB 3.46Å; Y246-L283 HydrophobicContact CD2-CD1 4.01Å; Y246-L283 HydrophobicContact CD2-CG 4.21Å; Y246-L283 HydrophobicContact CE1-CB 4.48Å; Y246-L283 HydrophobicContact CE2-CB 3.63Å; Y246-L283 HydrophobicContact CG-CB 3.85Å; Y246-L283 HydrophobicContact CG-CD1 4.07Å; Y246-L283 HydrophobicContact CG-CD2 4.07Å; Y246-L283 HydrophobicContact CG-CG 4.24Å; Y246-N284 WeakPolarHBondContact CE2-OD1 3.24Å; Y246-N284 VanDerWaalsContact CZ-OD1 3.31Å; Y246-N284 PolarHBondContact OH-OD1 3.15Å
247L98.8Very high98.5Very high1 Ų120.7 Ų20.71%0.00510%0.104CC..Hα-helixtrans-69.6-39.6-179.3-62.7175.1000111.9I184 A206 P209 L243 L244 R245 Q249 R250 L252 I254I184-L247 HydrophobicContact CB-CD2 4.43Å; I184-L247 HydrophobicContact CG2-CD2 3.64Å; A206-L247 HydrophobicContact CB-CD1 3.98Å; P209-L247 HydrophobicContact CB-CD1 3.32Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 3.13Å; L244-L247 PolarHBondContact O-N 2.97Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.19Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.25Å; L247-R250 WeakPolarHBondContact O-CA 3.32Å; L247-R250 WeakPolarHBondContact O-CB 3.44Å; L247-R250 PolarHBondContact O-N 3.18Å; L247-L252 HydrophobicContact CB-CD1 4.24Å; L247-L252 HydrophobicContact CD2-CD1 3.9Å; L247-L252 VanDerWaalsContact O-CB 3.3Å; L247-L252 WeakPolarHBondContact O-CB 3.35Å; L247-L252 WeakPolarHBondContact O-CG 3.17Å; L247-L252 PolarHBondContact O-N 3.03Å; L247-I254 HydrophobicContact CB-CG2 3.46Å; L247-I254 VanDerWaalsContact CB-CG2 3.46Å; L247-I254 HydrophobicContact CD1-CG2 3.83Å; L247-I254 HydrophobicContact CG-CG2 4.31Å
248I98.7Very high98.3Very high10 Ų1018.9 Ų18.95%0.05110%0.097CC..Hα-helixtrans-57.6-44.3173.2-74.8171.6000110.9I14 L244 R245 R250 N251 I254 V270 F271I14-I248 HydrophobicContact CD1-CB 4.38Å; I14-I248 HydrophobicContact CD1-CG1 4.26Å; I14-I248 HydrophobicContact CD1-CG2 3.88Å; I14-I248 HydrophobicContact CG1-CG1 4.24Å; I14-I248 HydrophobicContact CG2-CD1 4.5Å; L244-I248 PolarHBondContact O-N 3.42Å; R245-I248 PolarHBondContact O-N 3.3Å; I248-R250 PolarHBondContact O-N 2.9Å; I248-N251 WeakPolarHBondContact O-CA 3.43Å; I248-N251 PolarHBondContact O-N 2.74Å; I248-I254 HydrophobicContact CD1-CD1 3.74Å; I248-I254 HydrophobicContact CD1-CG1 4.24Å; I248-I254 HydrophobicContact CG1-CD1 4.01Å; I248-I254 HydrophobicContact CG1-CG1 4.1Å; I248-V270 HydrophobicContact CD1-CB 4.36Å; I248-V270 HydrophobicContact CD1-CG2 3.54Å; I248-F271 HydrophobicContact CD1-CE1 4.13Å; I248-F271 HydrophobicContact CD1-CZ 4.47Å
249Q98.3Very high98.2Very high57 Ų5718.1 Ų18.127%0.2669%0.092SC..Hα-helixtrans-68.5-12.3177.8-78.6-174.4-156.300114.2R245 Y246 L247 N251 L275 M280R245-Q249 HydrophobicContact CG-CG 4.5Å; R245-Q249 WeakPolarHBondContact O-CB 3.38Å; R245-Q249 PolarHBondContact O-N 3.01Å; Y246-Q249 PolarHBondContact O-N 3.01Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.25Å; Q249-N251 VanDerWaalsContact C-N 3.26Å; Q249-L275 PolarHBondContact NE2-O 3.34Å; Q249-M280 HydrophobicContact CB-CE 3.65Å; Q249-M280 HydrophobicContact CB-SD 3.77Å; Q249-M280 PolarHBondContact NE2-SD 2.77Å
250R98.3Very high98.1Very high32 Ų3219 Ų1912%0.12110%0.097CC..THydrogen-bonded Turntrans-89.511.9167.9-67.3179.558.9-158.8-6.3113P189 Q198 Y246 L247 I248 L252 M280P189-R250 VanDerWaalsContact O-CZ 3.27Å; P189-R250 PolarHBondContact O-NH1 3.39Å; P189-R250 PolarHBondContact O-NH2 3.48Å; Q198-R250 PolarHBondContact NE2-O 3.19Å; Q198-R250 VanDerWaalsContact NE2-O 3.11Å; Y246-R250 VanDerWaalsContact CE2-CD 3.5Å; Y246-R250 HydrophobicContact CE2-CG 4.22Å; Y246-R250 VanDerWaalsContact CZ-CD 3.47Å; Y246-R250 PolarHBondContact O-N 3.44Å; Y246-R250 WeakPolarHBondContact OH-CD 3.45Å; Y246-R250 PolarHBondContact OH-NH1 3.03Å; L247-R250 WeakPolarHBondContact O-CA 3.32Å; L247-R250 WeakPolarHBondContact O-CB 3.44Å; L247-R250 PolarHBondContact O-N 3.18Å; I248-R250 PolarHBondContact O-N 2.9Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 HydrophobicContact CB-CD1 3.92Å; R250-L252 HydrophobicContact CB-CG 3.89Å; R250-L252 PolarHBondContact O-N 3.35Å; R250-M280 HydrophobicContact CG-CE 3.82Å
251N98.2Very high98.1Very high91 Ų9121.2 Ų21.249%0.48711%0.11SC..THydrogen-bonded Turntrans59.843.3-177.4-164.243.9000112.1L4 Q198 I248 Q249L4-N251 VanDerWaalsContact CD1-O 3.3Å; L4-N251 WeakPolarHBondContact CD1-O 3.36Å; L4-N251 WeakPolarHBondContact CD2-OD1 3.5Å; Q198-N251 PolarHBondContact NE2-O 3.3Å; Q198-N251 VanDerWaalsContact NE2-O 3.17Å; I248-N251 WeakPolarHBondContact O-CA 3.43Å; I248-N251 PolarHBondContact O-N 2.74Å; Q249-N251 VanDerWaalsContact C-N 3.26Å
252L98.8Very high98.1Very high0 Ų026.5 Ų26.50%013%0.133CC..  trans-111.8144.3179.3-52.5175.9000111I14 I184 V194 V204 L247 R250I14-L252 WeakPolarHBondContact CG1-O 3.3Å; I184-L252 HydrophobicContact CD1-CD1 3.88Å; I184-L252 HydrophobicContact CD1-CD2 4.29Å; I184-L252 HydrophobicContact CG2-CD1 4.01Å; V194-L252 HydrophobicContact CG1-CD2 3.72Å; V194-L252 HydrophobicContact CG2-CD2 4.44Å; V204-L252 HydrophobicContact CB-CD2 3.76Å; V204-L252 HydrophobicContact CG1-CD2 3.98Å; L247-L252 HydrophobicContact CB-CD1 4.24Å; L247-L252 HydrophobicContact CD2-CD1 3.9Å; L247-L252 VanDerWaalsContact O-CB 3.3Å; L247-L252 WeakPolarHBondContact O-CB 3.35Å; L247-L252 WeakPolarHBondContact O-CG 3.17Å; L247-L252 PolarHBondContact O-N 3.03Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 HydrophobicContact CB-CD1 3.92Å; R250-L252 HydrophobicContact CB-CG 3.89Å; R250-L252 PolarHBondContact O-N 3.35Å
253I98.9Very high98Very high0 Ų032.3 Ų32.30%016%0.155CC..EExtended strand (participates in β ladder)trans-76.8137.7163.7-58.9100.2000108.2L4 I12 P13 I14 T203 V204 T205 A206L4-I253 HydrophobicContact CB-CD1 4.44Å; L4-I253 HydrophobicContact CD1-CD1 3.83Å; L4-I253 HydrophobicContact CD1-CG1 4.14Å; L4-I253 HydrophobicContact CG-CD1 4.47Å; I12-I253 HydrophobicContact CD1-CD1 4.37Å; I12-I253 HydrophobicContact CD1-CG1 4.25Å; I12-I253 HydrophobicContact CD1-CG2 4.38Å; I12-I253 HydrophobicContact CG1-CG1 4.28Å; I12-I253 HydrophobicContact CG2-CD1 3.65Å; I12-I253 HydrophobicContact CG2-CG1 3.84Å; P13-I253 WeakPolarHBondContact O-CG2 3.39Å; I14-I253 CarbonylContact O-C 3.55Å; I14-I253 VanDerWaalsContact O-CA 3.29Å; I14-I253 WeakPolarHBondContact O-CA 3.02Å; T203-I253 HydrophobicContact CG2-CD1 4.48Å; V204-I253 WeakPolarHBondContact O-CD1 3.36Å; V204-I253 PolarHBondContact O-N 2.83Å; T205-I253 CarbonylContact C-O 3.55Å; T205-I253 WeakPolarHBondContact CA-O 3.25Å; T205-I253 HydrophobicContact CG2-CB 4.19Å; T205-I253 HydrophobicContact CG2-CG2 4.03Å; A206-I253 PolarHBondContact N-O 2.92Å
254I98.8Very high98Very high0 Ų032.3 Ų32.30%016%0.155CC..EExtended strand (participates in β ladder)trans-115.7140.2177.852.3159.7000110.9I14 I15 G16 A206 P209 L244 L247 I248 P256I14-I254 WeakPolarHBondContact O-CG1 3.42Å; I14-I254 PolarHBondContact O-N 3.44Å; I15-I254 WeakPolarHBondContact CA-O 3.32Å; I15-I254 HydrophobicContact CB-CD1 4.33Å; I15-I254 HydrophobicContact CB-CG1 4.15Å; I15-I254 HydrophobicContact CD1-CD1 3.97Å; I15-I254 HydrophobicContact CG1-CD1 3.87Å; I15-I254 HydrophobicContact CG1-CG1 3.97Å; G16-I254 PolarHBondContact N-O 3.01Å; A206-I254 HydrophobicContact CB-CG2 4.39Å; P209-I254 HydrophobicContact CB-CB 4.46Å; P209-I254 HydrophobicContact CB-CG2 4.33Å; L244-I254 HydrophobicContact CB-CD1 3.7Å; L244-I254 HydrophobicContact CD1-CD1 4.2Å; L244-I254 HydrophobicContact CD2-CB 4.5Å; L244-I254 HydrophobicContact CD2-CD1 3.79Å; L244-I254 HydrophobicContact CG-CD1 4.05Å; L247-I254 HydrophobicContact CB-CG2 3.46Å; L247-I254 VanDerWaalsContact CB-CG2 3.46Å; L247-I254 HydrophobicContact CD1-CG2 3.83Å; L247-I254 HydrophobicContact CG-CG2 4.31Å; I248-I254 HydrophobicContact CD1-CD1 3.74Å; I248-I254 HydrophobicContact CD1-CG1 4.24Å; I248-I254 HydrophobicContact CG1-CD1 4.01Å; I248-I254 HydrophobicContact CG1-CG1 4.1Å; I254-P256 VanDerWaalsContact C-CD 3.45Å
255V98.7Very high98Very high6 Ų636.5 Ų36.54%0.03617%0.174CC..  trans-125.662.8177.6-67.10000112.1G16 G18 D43 T205 A206 K257G16-V255 WeakPolarHBondContact O-CA 3.23Å; G18-V255 WeakPolarHBondContact CA-O 3.47Å; D43-V255 HydrophobicContact CB-CB 4Å; D43-V255 HydrophobicContact CB-CG1 3.65Å; D43-V255 HydrophobicContact CB-CG2 4.49Å; T205-V255 HydrophobicContact CG2-CG1 3.81Å; T205-V255 HydrophobicContact CG2-CG2 4.02Å; A206-V255 WeakPolarHBondContact O-CG2 3.47Å; A206-V255 PolarHBondContact O-N 3.46Å; V255-K257 PolarHBondContact O-N 3.01Å
256P98Very high98Very high2 Ų238 Ų381%0.01318%0.182CC..  trans-62.1135.5177.127.2-35000111.1G16 G18 P209 L210 L244 I254 N267G16-P256 WeakPolarHBondContact O-CD 3.39Å; G18-P256 PolarHBondContact N-O 2.83Å; P209-P256 HydrophobicContact CG-CB 4.04Å; L210-P256 HydrophobicContact CD1-CB 4.44Å; L244-P256 HydrophobicContact CD1-CB 4.26Å; L244-P256 HydrophobicContact CD1-CG 3.99Å; L244-P256 HydrophobicContact CD2-CB 4.03Å; L244-P256 HydrophobicContact CD2-CG 4.12Å; I254-P256 VanDerWaalsContact C-CD 3.45Å; P256-N267 HydrophobicContact CG-CB 4.37Å
257K95.8Very high97.9Very high77 Ų7738.2 Ų38.234%0.33518%0.183SC..BIsolated β-bridgetrans-92132172.3-177.9-98-167.5175.10110.9G18 W20 N21 S22 V255G18-K257 VanDerWaalsContact O-CA 3.25Å; G18-K257 WeakPolarHBondContact O-CA 3.5Å; G18-K257 VanDerWaalsContact O-CB 3.23Å; G18-K257 WeakPolarHBondContact O-CB 3.27Å; G18-K257 WeakPolarHBondContact O-CG 3.46Å; W20-K257 VanDerWaalsContact O-CE 3.26Å; W20-K257 WeakPolarHBondContact O-CE 3.19Å; W20-K257 WeakPolarHBondContact O-CG 3.3Å; N21-K257 VanDerWaalsContact O-CE 3.31Å; N21-K257 WeakPolarHBondContact O-CE 3.42Å; N21-K257 PolarHBondContact O-NZ 2.82Å; S22-K257 WeakPolarHBondContact OG-CE 3.28Å; V255-K257 PolarHBondContact O-N 3.01Å
258S96.2Very high97.9Very high4 Ų440.2 Ų40.23%0.02819%0.192CC..  trans-151.8146164.2-177.20000109.9A30 T260 R263A30-S258 WeakPolarHBondContact CB-O 3.44Å; S258-T260 PolarHBondContact OG-N 3.43Å; S258-T260 PolarHBondContact OG-O 3.23Å; S258-R263 WeakPolarHBondContact OG-CB 3.27Å
259V95.9Very high97.8Very high22 Ų2241 Ų4113%0.13320%0.202CC..  trans-109.8-2.6168.3-69.40000111.9E26 A30E26-V259 HydrophobicContact CB-CB 4.06Å; E26-V259 HydrophobicContact CB-CG1 3.96Å; E26-V259 WeakPolarHBondContact OE2-CG2 3.47Å; A30-V259 HydrophobicContact CB-CB 4.49Å; A30-V259 HydrophobicContact CB-CG1 4.2Å
260T96.8Very high97.8Very high49 Ų4938.3 Ų38.330%0.30119%0.19SC..SBendtrans-94.8120178.6-62.10000109.9S258 K262 R263 I264S258-T260 PolarHBondContact OG-N 3.43Å; S258-T260 PolarHBondContact OG-O 3.23Å; T260-K262 PolarHBondContact O-N 2.94Å; T260-R263 VanDerWaalsContact CB-CZ 3.48Å; T260-R263 HydrophobicContact CG2-CG 4.46Å; T260-R263 PolarHBondContact O-N 3.04Å; T260-R263 VanDerWaalsContact OG1-CZ 3.23Å; T260-R263 PolarHBondContact OG1-NH1 3.32Å; T260-R263 PolarHBondContact OG1-NH2 2.84Å; T260-I264 PolarHBondContact O-N 3.19Å; T260-I264 VanDerWaalsContact O-N 3.08Å
261P97.6Very high97.8Very high58 Ų5839.7 Ų39.738%0.37720%0.197SC..Hα-helixtrans-51.6-47.5-175.6-32.437.5000114.5K33 R263 I264 E265K33-P261 HydrophobicContact CD-CB 4.34Å; K33-P261 HydrophobicContact CG-CB 3.97Å; P261-R263 VanDerWaalsContact C-N 3.33Å; P261-R263 PolarHBondContact O-N 3.49Å; P261-I264 WeakPolarHBondContact O-CB 3.23Å; P261-I264 PolarHBondContact O-N 3.23Å; P261-I264 VanDerWaalsContact O-N 3.08Å; P261-E265 PolarHBondContact O-N 2.85Å
262K98.1Very high97.7Very high132 Ų13240.7 Ų40.757%0.57420%0.202SC*.Hα-helixtrans-58.8-42.9179.2-166.8-169.3-175.6-134.90112.4T260 I264 E265 E266T260-K262 PolarHBondContact O-N 2.94Å; K262-I264 VanDerWaalsContact C-N 3.33Å; K262-I264 PolarHBondContact O-N 3.09Å; K262-E265 WeakPolarHBondContact O-CB 3.27Å; K262-E265 PolarHBondContact O-N 2.86Å; K262-E266 WeakPolarHBondContact CE-OE1 3.18Å; K262-E266 HydrophobicContact CG-CG 4.47Å; K262-E266 IonicContact NZ-OE1 2.84Å; K262-E266 PolarHBondContact NZ-OE1 2.89Å; K262-E266 WeakPolarHBondContact O-CB 3.47Å; K262-E266 VanDerWaalsContact O-CG 3.3Å; K262-E266 WeakPolarHBondContact O-CG 3.12Å; K262-E266 PolarHBondContact O-N 2.84Å
263R97.7Very high97.6Very high121 Ų12141.6 Ų41.646%0.45721%0.206SC..Hα-helixtrans-68.8-31.7177.3-73.7-163.8-61.2-92.65.2112.3S258 T260 P261 N267S258-R263 WeakPolarHBondContact OG-CB 3.27Å; T260-R263 VanDerWaalsContact CB-CZ 3.48Å; T260-R263 HydrophobicContact CG2-CG 4.46Å; T260-R263 PolarHBondContact O-N 3.04Å; T260-R263 VanDerWaalsContact OG1-CZ 3.23Å; T260-R263 PolarHBondContact OG1-NH1 3.32Å; T260-R263 PolarHBondContact OG1-NH2 2.84Å; P261-R263 VanDerWaalsContact C-N 3.33Å; P261-R263 PolarHBondContact O-N 3.49Å; R263-N267 WeakPolarHBondContact O-CB 3.18Å; R263-N267 PolarHBondContact O-N 3.24Å; R263-N267 PolarHBondContact O-ND2 2.92Å; R263-N267 PolarHBondContact O-OD1 3.49Å
264I98.5Very high97.6Very high1 Ų148.4 Ų48.41%0.00524%0.238CC..Hα-helixtrans-64.4-44.6173.9-65168.8000109.8A30 K33 A34 Y39 T260 P261 K262 F268A30-I264 HydrophobicContact CB-CD1 3.95Å; K33-I264 HydrophobicContact CB-CD1 4.29Å; K33-I264 HydrophobicContact CG-CD1 4.32Å; K33-I264 HydrophobicContact CG-CG2 4.46Å; A34-I264 HydrophobicContact CB-CG2 3.9Å; Y39-I264 HydrophobicContact CD2-CG2 4.28Å; Y39-I264 HydrophobicContact CE2-CG2 3.75Å; Y39-I264 PolarHBondContact OH-O 3.39Å; T260-I264 PolarHBondContact O-N 3.19Å; T260-I264 VanDerWaalsContact O-N 3.08Å; P261-I264 WeakPolarHBondContact O-CB 3.23Å; P261-I264 PolarHBondContact O-N 3.23Å; P261-I264 VanDerWaalsContact O-N 3.08Å; K262-I264 VanDerWaalsContact C-N 3.33Å; K262-I264 PolarHBondContact O-N 3.09Å; I264-F268 PolarHBondContact O-N 3.41Å
265E98.5Very high97.6Very high88 Ų8849 Ų4941%0.41124%0.241SC..Hα-helixtrans-62.3-49.7174-70.8172-178.300112.3K33 V37 P261 K262 N267 F268 G269K33-E265 WeakPolarHBondContact CE-OE1 3.37Å; K33-E265 IonicContact NZ-OE1 3.64Å; K33-E265 PolarHBondContact NZ-OE1 3.08Å; V37-E265 HydrophobicContact CG1-CG 4.5Å; V37-E265 HydrophobicContact CG2-CG 3.49Å; V37-E265 VanDerWaalsContact CG2-CG 3.49Å; P261-E265 PolarHBondContact O-N 2.85Å; K262-E265 WeakPolarHBondContact O-CB 3.27Å; K262-E265 PolarHBondContact O-N 2.86Å; E265-N267 PolarHBondContact O-N 3.2Å; E265-F268 WeakPolarHBondContact O-CB 3.39Å; E265-F268 PolarHBondContact O-N 3.11Å; E265-F268 VanDerWaalsContact O-N 3.12Å; E265-G269 PolarHBondContact O-N 3.32Å
266E98.1Very high97.6Very high47 Ų4750.7 Ų50.722%0.2225%0.253CS..Hα-helixtrans-59.8-45.7179.4-73.8169.6174.600111.5Q241 K262 F268 G269Q241-E266 VanDerWaalsContact CG-O 3.23Å; Q241-E266 WeakPolarHBondContact CG-O 3.24Å; Q241-E266 PolarHBondContact NE2-O 2.98Å; K262-E266 WeakPolarHBondContact CE-OE1 3.18Å; K262-E266 HydrophobicContact CG-CG 4.47Å; K262-E266 IonicContact NZ-OE1 2.84Å; K262-E266 PolarHBondContact NZ-OE1 2.89Å; K262-E266 WeakPolarHBondContact O-CB 3.47Å; K262-E266 VanDerWaalsContact O-CG 3.3Å; K262-E266 WeakPolarHBondContact O-CG 3.12Å; K262-E266 PolarHBondContact O-N 2.84Å; E266-F268 PolarHBondContact O-N 2.61Å; E266-G269 PolarHBondContact O-N 2.98Å; E266-G269 VanDerWaalsContact O-N 3.13Å
267N98.4Very high97.6Very high4 Ų459 Ų592%0.02129%0.289CS..Hα-helixtrans-63.4-25.8178-71.9-15.6000112.8I15 L244 P256 R263 E265 V270I15-N267 WeakPolarHBondContact CD1-O 3.08Å; L244-N267 HydrophobicContact CD1-CB 3.71Å; P256-N267 HydrophobicContact CG-CB 4.37Å; R263-N267 WeakPolarHBondContact O-CB 3.18Å; R263-N267 PolarHBondContact O-N 3.24Å; R263-N267 PolarHBondContact O-ND2 2.92Å; R263-N267 PolarHBondContact O-OD1 3.49Å; E265-N267 PolarHBondContact O-N 3.2Å; N267-V270 WeakPolarHBondContact O-CG1 3.46Å
268F98.1Very high97.8Very high43 Ų4361.6 Ų61.619%0.18930%0.302CS..Hα-helixtrans-77.6-30.3176-164.3-112.5000113.1M1 I15 V37 Y39 I264 E265 E266 V270 F271M1-F268 HydrophobicContact CE-CE2 3.45Å; M1-F268 VanDerWaalsContact CE-CE2 3.45Å; M1-F268 HydrophobicContact CE-CZ 3.86Å; I15-F268 HydrophobicContact CD1-CD2 4.42Å; I15-F268 HydrophobicContact CG2-CD2 4.12Å; I15-F268 HydrophobicContact CG2-CE2 4.01Å; V37-F268 HydrophobicContact CG1-CB 3.65Å; V37-F268 HydrophobicContact CG1-CD1 3.57Å; V37-F268 HydrophobicContact CG1-CD2 4.39Å; V37-F268 HydrophobicContact CG1-CE1 4.31Å; V37-F268 HydrophobicContact CG1-CG 3.61Å; V37-F268 WeakPolarHBondContact O-CE1 3.49Å; Y39-F268 AromaticContact CD2-CD2 3.6Å; Y39-F268 HydrophobicContact CD2-CD2 3.6Å; Y39-F268 HydrophobicContact CD2-CE2 4.11Å; Y39-F268 HydrophobicContact CD2-CG 4.27Å; Y39-F268 HydrophobicContact CE2-CB 3.73Å; Y39-F268 AromaticContact CE2-CD2 3.47Å; Y39-F268 HydrophobicContact CE2-CD2 3.47Å; Y39-F268 VanDerWaalsContact CE2-CD2 3.47Å; Y39-F268 HydrophobicContact CE2-CE2 4.4Å; Y39-F268 AromaticContact CE2-CG 3.94Å; Y39-F268 HydrophobicContact CE2-CG 3.94Å; Y39-F268 HydrophobicContact CG-CD2 4.2Å; Y39-F268 HydrophobicContact CG-CE2 4.4Å; Y39-F268 AromaticContact CZ-CD2 3.96Å; I264-F268 PolarHBondContact O-N 3.41Å; E265-F268 WeakPolarHBondContact O-CB 3.39Å; E265-F268 PolarHBondContact O-N 3.11Å; E265-F268 VanDerWaalsContact O-N 3.12Å; E266-F268 PolarHBondContact O-N 2.61Å; F268-V270 PolarHBondContact O-N 3.01Å; F268-F271 HydrophobicContact CE2-CE2 4.48Å; F268-F271 WeakPolarHBondContact O-CD2 3.34Å; F268-F271 WeakPolarHBondContact O-CE2 3.06Å
269G97.3Very high97.9Very high27 Ų2762 Ų6228%0.27830%0.304SS..  trans-75.851.4-179.100000114.3Q241 E265 E266Q241-G269 PolarHBondContact NE2-O 3.43Å; Q241-G269 VanDerWaalsContact NE2-O 3.08Å; E265-G269 PolarHBondContact O-N 3.32Å; E266-G269 PolarHBondContact O-N 2.98Å; E266-G269 VanDerWaalsContact O-N 3.13Å
270V98Very high98Very high0 Ų062.1 Ų62.10%030%0.303CS..  trans-1138.8-175-64.60000113.9I15 Q241 L244 R245 I248 N267 F268I15-V270 HydrophobicContact CD1-CG2 4.32Å; Q241-V270 HydrophobicContact CB-CG1 4.1Å; Q241-V270 HydrophobicContact CG-CG1 3.96Å; L244-V270 HydrophobicContact CB-CG1 3.92Å; L244-V270 HydrophobicContact CD1-CG1 4.29Å; R245-V270 WeakPolarHBondContact CD-O 3.48Å; R245-V270 PolarHBondContact NH1-O 2.7Å; I248-V270 HydrophobicContact CD1-CB 4.36Å; I248-V270 HydrophobicContact CD1-CG2 3.54Å; N267-V270 WeakPolarHBondContact O-CG1 3.46Å; F268-V270 PolarHBondContact O-N 3.01Å
271F97Very high98.1Very high62 Ų6265.6 Ų65.627%0.27232%0.316SS..SBendtrans-104.3-8.9-174.1-59-71.6000113.8E2 I14 I15 I248 F268E2-F271 HydrophobicContact CB-CE1 4.09Å; E2-F271 HydrophobicContact CG-CD1 4.17Å; E2-F271 HydrophobicContact CG-CE1 4.22Å; I14-F271 HydrophobicContact CG2-CE1 3.73Å; I14-F271 HydrophobicContact CG2-CZ 3.95Å; I15-F271 HydrophobicContact CB-CZ 4.38Å; I15-F271 HydrophobicContact CG2-CE2 4.16Å; I15-F271 HydrophobicContact CG2-CZ 3.81Å; I248-F271 HydrophobicContact CD1-CE1 4.13Å; I248-F271 HydrophobicContact CD1-CZ 4.47Å; F268-F271 HydrophobicContact CE2-CE2 4.48Å; F268-F271 WeakPolarHBondContact O-CD2 3.34Å; F268-F271 WeakPolarHBondContact O-CE2 3.06Å
272D96.3Very high98.1Very high111 Ų11164.7 Ų64.759%0.59431%0.306SS*.SBendtrans-100.911.1-17266.8-27.6000113.9K237K237-D272 IonicContact NZ-OD1 3.91Å; K237-D272 PolarHBondContact NZ-OD1 2.95Å; K237-D272 IonicContact NZ-OD2 3.73Å; K237-D272 PolarHBondContact NZ-OD2 3.33Å
273F98.1Very high98.1Very high19 Ų1958.4 Ų58.48%0.08328%0.279CS..  trans-148.9165.717477.2-72.5000111.2H235 K237 Q241 V242 R245 L275H235-F273 HydrophobicContact CB-CD2 3.97Å; H235-F273 HydrophobicContact CB-CE2 4.33Å; H235-F273 AromaticContact CG-CD2 3.73Å; H235-F273 AromaticContact ND1-CD2 3.67Å; K237-F273 HydrophobicContact CB-CZ 4.36Å; K237-F273 HydrophobicContact CD-CD1 3.87Å; K237-F273 HydrophobicContact CD-CE1 3.94Å; K237-F273 HydrophobicContact CD-CG 4.4Å; K237-F273 HydrophobicContact CG-CD1 3.92Å; K237-F273 HydrophobicContact CG-CD2 4.17Å; K237-F273 HydrophobicContact CG-CE1 3.87Å; K237-F273 HydrophobicContact CG-CE2 4.12Å; K237-F273 HydrophobicContact CG-CG 4.06Å; K237-F273 HydrophobicContact CG-CZ 3.97Å; Q241-F273 HydrophobicContact CB-CE1 4.26Å; Q241-F273 HydrophobicContact CB-CZ 4.27Å; V242-F273 HydrophobicContact CG2-CE2 4.48Å; R245-F273 HydrophobicContact CB-CE1 3.95Å; R245-F273 HydrophobicContact CB-CE2 3.93Å; R245-F273 HydrophobicContact CB-CZ 3.39Å; R245-F273 WeakPolarHBondContact CD-O 3.32Å; R245-F273 HydrophobicContact CG-CD2 4.35Å; R245-F273 HydrophobicContact CG-CE1 4.14Å; R245-F273 HydrophobicContact CG-CE2 3.82Å; R245-F273 HydrophobicContact CG-CZ 3.71Å; R245-F273 VanDerWaalsContact CZ-O 3.25Å; R245-F273 PolarHBondContact NE-O 3.07Å; F273-L275 HydrophobicContact CE2-CD2 3.98Å; F273-L275 HydrophobicContact CE2-CG 4.38Å
274Q98.5Very high98.1Very high144 Ų14454.8 Ų54.867%0.67327%0.269SS*.  trans-136.8139.9176.8-55-168.2-9.200110.7H235H235-Q274 PolarHBondContact CE1-O 2.78Å
275L98.7Very high98Very high11 Ų1158.6 Ų58.66%0.05829%0.293CS..  trans-80.4139.9175-59.1167.5000110.2I231 V242 R245 Q249 F273 E279 M280 L283I231-L275 HydrophobicContact CG2-CD2 3.54Å; V242-L275 HydrophobicContact CG1-CD2 4.17Å; R245-L275 HydrophobicContact CB-CD1 4.27Å; R245-L275 HydrophobicContact CG-CD1 4.13Å; R245-L275 HydrophobicContact CG-CG 4Å; Q249-L275 PolarHBondContact NE2-O 3.34Å; F273-L275 HydrophobicContact CE2-CD2 3.98Å; F273-L275 HydrophobicContact CE2-CG 4.38Å; L275-E279 VanDerWaalsContact CA-OE2 3.28Å; L275-E279 WeakPolarHBondContact CA-OE2 3.38Å; L275-E279 HydrophobicContact CB-CB 4.19Å; L275-E279 HydrophobicContact CD2-CB 4.48Å; L275-M280 HydrophobicContact CB-CG 4.03Å; L275-M280 HydrophobicContact CB-SD 3.93Å; L275-M280 HydrophobicContact CD1-SD 3.81Å; L275-L283 HydrophobicContact CD1-CD1 3.65Å
276S98.7Very high97.8Very high42 Ų4259.6 Ų59.629%0.29430%0.295SS..  trans-67.4167.5176.294.70000111.7E278 E279 M280S276-E278 WeakPolarHBondContact CB-OE2 3.33Å; S276-E278 PolarHBondContact O-N 3.38Å; S276-E278 PolarHBondContact OG-N 3.02Å; S276-E278 PolarHBondContact OG-OE2 3.17Å; S276-E279 PolarHBondContact N-OE2 2.96Å; S276-E279 PolarHBondContact O-N 3.28Å; S276-E279 PolarHBondContact OG-N 3.22Å; S276-E279 VanDerWaalsContact OG-N 3.16Å; S276-M280 WeakPolarHBondContact O-CB 3.32Å; S276-M280 VanDerWaalsContact O-CG 3.23Å; S276-M280 WeakPolarHBondContact O-CG 3.39Å; S276-M280 PolarHBondContact O-N 3.39Å
277K98.6Very high97.6Very high176 Ų17657.9 Ų57.977%0.76529%0.291SS*.Hα-helixtrans-61.9-36.8176-70.6-177.1179.5178.10111.6H281K277-H281 WeakPolarHBondContact O-CB 3.48Å; K277-H281 PolarHBondContact O-N 2.95Å
278E98.6Very high97.3Very high132 Ų13262.3 Ų62.362%0.61731%0.314SS*.Hα-helixtrans-67.7-45.5178.2-58.567.8-145.600110.4S276 H281 E282S276-E278 WeakPolarHBondContact CB-OE2 3.33Å; S276-E278 PolarHBondContact O-N 3.38Å; S276-E278 PolarHBondContact OG-N 3.02Å; S276-E278 PolarHBondContact OG-OE2 3.17Å; E278-H281 WeakPolarHBondContact O-CB 3.47Å; E278-H281 PolarHBondContact O-N 2.8Å; E278-E282 WeakPolarHBondContact O-CB 3.36Å; E278-E282 PolarHBondContact O-N 3.21Å
279E98.8Very high97Very high13 Ų1365.3 Ų65.36%0.06133%0.332CS..Hα-helixtrans-64.1-42.8176.1-65.5173.1151.100111.3I231 H234 H235 L275 S276 H281 E282 L283I231-E279 HydrophobicContact CD1-CB 4.16Å; I231-E279 HydrophobicContact CD1-CG 4.39Å; I231-E279 HydrophobicContact CG1-CB 4.43Å; I231-E279 HydrophobicContact CG1-CG 4.13Å; I231-E279 HydrophobicContact CG2-CB 4.46Å; I231-E279 HydrophobicContact CG2-CG 4.3Å; H234-E279 IonicContact CE1-OE1 2.6Å; H234-E279 IonicContact CG-OE1 2.77Å; H234-E279 IonicContact ND1-OE1 2.81Å; H234-E279 PolarHBondContact ND1-OE1 2.72Å; H235-E279 IonicContact CD2-OE1 2.64Å; H235-E279 IonicContact CD2-OE2 3.1Å; H235-E279 IonicContact CE1-OE2 2.71Å; H235-E279 VanDerWaalsContact NE2-CD 3.26Å; H235-E279 IonicContact NE2-OE1 2.72Å; H235-E279 PolarHBondContact NE2-OE1 2.86Å; H235-E279 IonicContact NE2-OE2 3.81Å; H235-E279 PolarHBondContact NE2-OE2 3.18Å; L275-E279 VanDerWaalsContact CA-OE2 3.28Å; L275-E279 WeakPolarHBondContact CA-OE2 3.38Å; L275-E279 HydrophobicContact CB-CB 4.19Å; L275-E279 HydrophobicContact CD2-CB 4.48Å; S276-E279 PolarHBondContact N-OE2 2.96Å; S276-E279 PolarHBondContact O-N 3.28Å; S276-E279 PolarHBondContact OG-N 3.22Å; S276-E279 VanDerWaalsContact OG-N 3.16Å; E279-H281 VanDerWaalsContact C-N 3.31Å; E279-H281 PolarHBondContact O-N 3.49Å; E279-E282 WeakPolarHBondContact O-CB 3.14Å; E279-E282 PolarHBondContact O-N 3.09Å; E279-L283 WeakPolarHBondContact O-CB 3.42Å; E279-L283 WeakPolarHBondContact O-CD1 3.39Å; E279-L283 PolarHBondContact O-N 3.3Å
280M98.7Very high96.8Very high25 Ų2569 Ų6912%0.12334%0.342CS..Hα-helixtrans-60.3-40.9173.3-71.6-64.2-63.800111.9Y246 Q249 R250 L275 S276 N284Y246-M280 HydrophobicContact CD2-CE 3.76Å; Y246-M280 HydrophobicContact CD2-SD 3.85Å; Y246-M280 HydrophobicContact CE2-CE 4.1Å; Q249-M280 HydrophobicContact CB-CE 3.65Å; Q249-M280 HydrophobicContact CB-SD 3.77Å; Q249-M280 PolarHBondContact NE2-SD 2.77Å; R250-M280 HydrophobicContact CG-CE 3.82Å; L275-M280 HydrophobicContact CB-CG 4.03Å; L275-M280 HydrophobicContact CB-SD 3.93Å; L275-M280 HydrophobicContact CD1-SD 3.81Å; S276-M280 WeakPolarHBondContact O-CB 3.32Å; S276-M280 VanDerWaalsContact O-CG 3.23Å; S276-M280 WeakPolarHBondContact O-CG 3.39Å; S276-M280 PolarHBondContact O-N 3.39Å; M280-N284 WeakPolarHBondContact O-CB 3.5Å; M280-N284 VanDerWaalsContact O-CG 3.23Å; M280-N284 PolarHBondContact O-N 2.78Å; M280-N284 PolarHBondContact O-ND2 2.87Å
281H98.2Very high96.6Very high122 Ų12270.4 Ų70.457%0.56535%0.347SS*.Hα-helixtrans-64-43.4175.4179.471.9000111.5K277 E278 E279 N284 T285K277-H281 WeakPolarHBondContact O-CB 3.48Å; K277-H281 PolarHBondContact O-N 2.95Å; E278-H281 WeakPolarHBondContact O-CB 3.47Å; E278-H281 PolarHBondContact O-N 2.8Å; E279-H281 VanDerWaalsContact C-N 3.31Å; E279-H281 PolarHBondContact O-N 3.49Å; H281-N284 PolarHBondContact O-N 3.22Å; H281-T285 WeakPolarHBondContact O-CB 3.32Å; H281-T285 WeakPolarHBondContact O-CG2 3.1Å; H281-T285 PolarHBondContact O-N 3.33Å; H281-T285 PolarHBondContact O-OG1 3.43Å
282E98Very high96.3Very high38 Ų3868.4 Ų68.418%0.17834%0.339CS..Hα-helixtrans-59.2-49.6176.5-175165.2176.200111.9W227 I231 E278 E279 N284 T285 K286W227-E282 HydrophobicContact CB-CG 4.33Å; W227-E282 WeakPolarHBondContact CB-OE1 3.24Å; I231-E282 HydrophobicContact CD1-CG 4.47Å; E278-E282 WeakPolarHBondContact O-CB 3.36Å; E278-E282 PolarHBondContact O-N 3.21Å; E279-E282 WeakPolarHBondContact O-CB 3.14Å; E279-E282 PolarHBondContact O-N 3.09Å; E282-N284 VanDerWaalsContact C-N 3.26Å; E282-N284 PolarHBondContact O-N 2.87Å; E282-T285 PolarHBondContact O-N 3.24Å; E282-T285 VanDerWaalsContact O-N 3.15Å; E282-K286 HydrophobicContact CG-CD 3.49Å; E282-K286 VanDerWaalsContact CG-CD 3.49Å; E282-K286 HydrophobicContact CG-CG 3.92Å; E282-K286 WeakPolarHBondContact O-CB 3.37Å; E282-K286 PolarHBondContact O-N 2.86Å; E282-K286 WeakPolarHBondContact OE1-CE 3.3Å; E282-K286 IonicContact OE1-NZ 2.98Å; E282-K286 PolarHBondContact OE1-NZ 2.67Å
283L98.1Very high96.2Very high0 Ų064.6 Ų64.60%032%0.317CS..Hα-helixtrans-64-27.4177-78.7148.9000113.6A186 W227 I231 V242 L243 Y246 L275 E279A186-L283 HydrophobicContact CB-CD2 4.08Å; W227-L283 HydrophobicContact CE3-CD2 4.42Å; W227-L283 HydrophobicContact CZ3-CD2 3.74Å; W227-L283 HydrophobicContact CZ3-CG 4.3Å; I231-L283 HydrophobicContact CD1-CD1 3.97Å; I231-L283 HydrophobicContact CD1-CG 4.04Å; V242-L283 HydrophobicContact CG1-CD1 4.19Å; V242-L283 HydrophobicContact CG1-CD2 4.35Å; L243-L283 HydrophobicContact CD2-CD2 4Å; Y246-L283 HydrophobicContact CD1-CB 4.34Å; Y246-L283 HydrophobicContact CD1-CD2 4.31Å; Y246-L283 HydrophobicContact CD2-CB 3.46Å; Y246-L283 VanDerWaalsContact CD2-CB 3.46Å; Y246-L283 HydrophobicContact CD2-CD1 4.01Å; Y246-L283 HydrophobicContact CD2-CG 4.21Å; Y246-L283 HydrophobicContact CE1-CB 4.48Å; Y246-L283 HydrophobicContact CE2-CB 3.63Å; Y246-L283 HydrophobicContact CG-CB 3.85Å; Y246-L283 HydrophobicContact CG-CD1 4.07Å; Y246-L283 HydrophobicContact CG-CD2 4.07Å; Y246-L283 HydrophobicContact CG-CG 4.24Å; L275-L283 HydrophobicContact CD1-CD1 3.65Å; E279-L283 WeakPolarHBondContact O-CB 3.42Å; E279-L283 WeakPolarHBondContact O-CD1 3.39Å; E279-L283 PolarHBondContact O-N 3.3Å
284N96.5Very high96Very high46 Ų4668 Ų6825%0.24633%0.332CS..Hα-helixtrans-78.8-22175.8-80.3-34.6000113.7Y246 M280 H281 E282Y246-N284 WeakPolarHBondContact CE2-OD1 3.24Å; Y246-N284 VanDerWaalsContact CZ-OD1 3.31Å; Y246-N284 PolarHBondContact OH-OD1 3.15Å; M280-N284 WeakPolarHBondContact O-CB 3.5Å; M280-N284 VanDerWaalsContact O-CG 3.23Å; M280-N284 PolarHBondContact O-N 2.78Å; M280-N284 PolarHBondContact O-ND2 2.87Å; H281-N284 PolarHBondContact O-N 3.22Å; E282-N284 VanDerWaalsContact C-N 3.26Å; E282-N284 PolarHBondContact O-N 2.87Å
285T96.3Very high95.8Very high81 Ų8163.7 Ų63.750%0.49731%0.313SS..Hα-helixtrans-124.1-24.1-16456.40000114.9H281 E282H281-T285 WeakPolarHBondContact O-CB 3.32Å; H281-T285 WeakPolarHBondContact O-CG2 3.1Å; H281-T285 PolarHBondContact O-N 3.33Å; H281-T285 PolarHBondContact O-OG1 3.43Å; E282-T285 PolarHBondContact O-N 3.24Å; E282-T285 VanDerWaalsContact O-N 3.15Å
286K95.7Very high95.6Very high108 Ų10868.6 Ų68.647%0.4734%0.338SS..SBendtrans-80.4-21.5-178.7-74.4-162.6176.2174.60114.7W227 E282W227-K286 HydrophobicContact CB-CD 3.62Å; W227-K286 HydrophobicContact CD2-CB 3.91Å; W227-K286 HydrophobicContact CD2-CD 4.1Å; W227-K286 HydrophobicContact CE3-CB 4.34Å; W227-K286 HydrophobicContact CG-CB 4.19Å; W227-K286 HydrophobicContact CG-CD 3.56Å; W227-K286 HydrophobicContact CZ2-CB 4.37Å; E282-K286 HydrophobicContact CG-CD 3.49Å; E282-K286 VanDerWaalsContact CG-CD 3.49Å; E282-K286 HydrophobicContact CG-CG 3.92Å; E282-K286 WeakPolarHBondContact O-CB 3.37Å; E282-K286 PolarHBondContact O-N 2.86Å; E282-K286 WeakPolarHBondContact OE1-CE 3.3Å; E282-K286 IonicContact OE1-NZ 2.98Å; E282-K286 PolarHBondContact OE1-NZ 2.67Å
287G92.3Very high95.5Very high12 Ų1271.8 Ų71.812%0.12435%0.347CS..SBendtrans-69161.4177.600000112.9A186 N187 N289A186-G287 WeakPolarHBondContact O-CA 3.44Å; N187-G287 VanDerWaalsContact OD1-CA 3.31Å; N187-G287 WeakPolarHBondContact OD1-CA 3.27Å; G287-N289 PolarHBondContact O-N 2.85Å; G287-N289 VanDerWaalsContact O-N 3.11Å
288L92.5Very high95.4Very high97 Ų9763.5 Ų63.551%0.50831%0.311SS..  trans-65.8-15-175.9-59.4175.8000114.5N187 V220 E290N187-L288 PolarHBondContact OD1-N 3.48Å; V220-L288 HydrophobicContact CG2-CD1 4.1Å; L288-E290 VanDerWaalsContact C-N 3.29Å; L288-E290 HydrophobicContact CB-CB 4.21Å; L288-E290 HydrophobicContact CB-CG 3.99Å; L288-E290 PolarHBondContact O-N 3.36Å
289N93.2Very high95.3Very high105 Ų10558.4 Ų58.456%0.56129%0.292SS*.  trans54.741.8-169.8-164.237.6000113.1N187 G287N187-N289 CarbonylContact O-C 2.9Å; N187-N289 WeakPolarHBondContact O-CA 3.27Å; N187-N289 PolarHBondContact O-N 3.33Å; G287-N289 PolarHBondContact O-N 2.85Å; G287-N289 VanDerWaalsContact O-N 3.11Å
290E92.1Very high95Very high105 Ų10563.9 Ų63.949%0.49132%0.321SS..  trans-120.4125.3-174.7-73-172.7-177.300113.1N187 F188 L288 Q292N187-E290 PolarHBondContact O-N 2.86Å; F188-E290 WeakPolarHBondContact CB-O 3.46Å; L288-E290 VanDerWaalsContact C-N 3.29Å; L288-E290 HydrophobicContact CB-CB 4.21Å; L288-E290 HydrophobicContact CB-CG 3.99Å; L288-E290 PolarHBondContact O-N 3.36Å; E290-Q292 PolarHBondContact O-N 3.38Å
291R93.4Very high94.9Very high30 Ų3062.9 Ų62.911%0.11332%0.316CS..  trans-64.5132.1170.6-171.3-175-59-76.71.5112E183 F188 K294 F306E183-R291 VanDerWaalsContact OE2-CG 3.23Å; E183-R291 WeakPolarHBondContact OE2-CG 3.46Å; F188-R291 HydrophobicContact CD1-CB 4.31Å; F188-R291 HydrophobicContact CD2-CB 4.48Å; F188-R291 HydrophobicContact CE1-CB 4.07Å; F188-R291 HydrophobicContact CE1-CG 4.17Å; F188-R291 HydrophobicContact CE2-CB 4.25Å; F188-R291 HydrophobicContact CZ-CB 4.05Å; R291-K294 HydrophobicContact CG-CG 4.5Å; R291-K294 WeakPolarHBondContact O-CE 3.4Å; R291-F306 VanDerWaalsContact CZ-CD1 3.44Å; R291-F306 VanDerWaalsContact NE-CD1 3.32Å
292Q92Very high94.7Very high20 Ų2060.1 Ų60.19%0.09331%0.31CS..SBendtrans-88.4-53.2175.8-178.4168.6-48.400113.2E183 G211 S216 R219 E290 K294E183-Q292 WeakPolarHBondContact OE1-CA 3.49Å; E183-Q292 VanDerWaalsContact OE1-CB 3.27Å; E183-Q292 WeakPolarHBondContact OE1-CB 3.3Å; E183-Q292 PolarHBondContact OE1-N 3.44Å; E183-Q292 PolarHBondContact OE2-N 3.34Å; G211-Q292 PolarHBondContact O-NE2 2.79Å; G211-Q292 PolarHBondContact O-OE1 3.47Å; S216-Q292 WeakPolarHBondContact OG-CG 3.48Å; S216-Q292 PolarHBondContact OG-NE2 3.06Å; R219-Q292 VanDerWaalsContact NH1-CA 3.33Å; E290-Q292 PolarHBondContact O-N 3.38Å; Q292-K294 PolarHBondContact O-N 2.94Å; Q292-K294 VanDerWaalsContact O-N 3.11Å
293F93.6Very high94.7Very high31 Ų3160.5 Ų60.514%0.13631%0.312CS..  trans-89.881.8-173.1-61.3-83.3000110.1W20 E183 Y207 A208 L295 F306W20-F293 AromaticContact CH2-CE1 3.68Å; W20-F293 HydrophobicContact CH2-CE1 3.68Å; W20-F293 HydrophobicContact CH2-CZ 4.24Å; W20-F293 AromaticContact CZ3-CE1 3.88Å; W20-F293 HydrophobicContact CZ3-CE1 3.88Å; W20-F293 AromaticContact CZ3-CZ 3.98Å; W20-F293 HydrophobicContact CZ3-CZ 3.98Å; E183-F293 HydrophobicContact CG-CD2 4.15Å; E183-F293 WeakPolarHBondContact OE2-CB 3.4Å; E183-F293 WeakPolarHBondContact OE2-CD2 3.33Å; E183-F293 PolarHBondContact OE2-N 2.97Å; Y207-F293 HydrophobicContact CE2-CB 4.36Å; Y207-F293 AromaticContact CE2-CD2 3.64Å; Y207-F293 HydrophobicContact CE2-CD2 3.64Å; Y207-F293 HydrophobicContact CE2-CE2 4.19Å; Y207-F293 HydrophobicContact CE2-CG 4.13Å; A208-F293 HydrophobicContact CB-CD2 4.35Å; A208-F293 HydrophobicContact CB-CE2 3.57Å; A208-F293 HydrophobicContact CB-CZ 4.36Å; F293-L295 HydrophobicContact CB-CD1 4.15Å; F293-F306 WeakPolarHBondContact O-CE2 3.43Å
294K94.1Very high94.7Very high90 Ų9061.1 Ų61.139%0.39132%0.315SS..  trans-83.4-32-178.5-61.9-177.9-177.4-179.50113.3R291 Q292 L296 Y304R291-K294 HydrophobicContact CG-CG 4.5Å; R291-K294 WeakPolarHBondContact O-CE 3.4Å; Q292-K294 PolarHBondContact O-N 2.94Å; Q292-K294 VanDerWaalsContact O-N 3.11Å; K294-L296 HydrophobicContact CB-CD2 3.91Å; K294-L296 HydrophobicContact CB-CG 3.97Å; K294-L296 HydrophobicContact CD-CD2 4.4Å; K294-L296 PolarHBondContact O-N 2.83Å; K294-Y304 VanDerWaalsContact O-CE2 3.24Å; K294-Y304 WeakPolarHBondContact O-CE2 3.41Å; K294-Y304 PolarHBondContact O-OH 2.96Å
295L93.5Very high94.8Very high53 Ų5359 Ų5928%0.27730%0.303SS..  trans47.653.8-174.3-78.468.5000112.6W111 F293 K297 M298W111-L295 HydrophobicContact CD2-CD2 4.09Å; W111-L295 HydrophobicContact CH2-CB 4.41Å; W111-L295 HydrophobicContact CH2-CD1 3.74Å; W111-L295 HydrophobicContact CH2-CD2 4.1Å; W111-L295 HydrophobicContact CH2-CG 4.29Å; W111-L295 HydrophobicContact CZ2-CD1 3.56Å; W111-L295 HydrophobicContact CZ2-CD2 3.59Å; W111-L295 HydrophobicContact CZ2-CG 4.11Å; F293-L295 HydrophobicContact CB-CD1 4.15Å; L295-K297 PolarHBondContact O-N 3.11Å; L295-M298 HydrophobicContact CB-CE 3.29Å; L295-M298 HydrophobicContact CB-CG 4.39Å; L295-M298 HydrophobicContact CD2-CE 3.33Å; L295-M298 HydrophobicContact CG-CE 3.94Å; L295-M298 WeakPolarHBondContact O-CG 3.48Å; L295-M298 PolarHBondContact O-N 2.9Å
296L95.6Very high94.8Very high114 Ų11457.1 Ų57.160%0.59729%0.288SS*.G310 helixtrans-57.4-19.9-172.8-64.3173.1000115.1K294 M298 A299K294-L296 HydrophobicContact CB-CD2 3.91Å; K294-L296 HydrophobicContact CB-CG 3.97Å; K294-L296 HydrophobicContact CD-CD2 4.4Å; K294-L296 PolarHBondContact O-N 2.83Å; L296-M298 PolarHBondContact O-N 3.08Å; L296-M298 VanDerWaalsContact O-N 3.11Å; L296-A299 WeakPolarHBondContact O-CB 3.31Å; L296-A299 PolarHBondContact O-N 3.07Å
297K96.9Very high94.7Very high110 Ų11057.8 Ų57.848%0.47829%0.291SS..G310 helixtrans-62.8-13.5177.4-69-175.3171.8-160.60114.4G128 N129 F130 L295G128-K297 VanDerWaalsContact O-CD 3.31Å; G128-K297 WeakPolarHBondContact O-CD 3.37Å; G128-K297 WeakPolarHBondContact O-CE 3.46Å; N129-K297 WeakPolarHBondContact CA-O 3.41Å; F130-K297 HydrophobicContact CD1-CB 4.34Å; F130-K297 HydrophobicContact CD2-CB 3.64Å; F130-K297 HydrophobicContact CE1-CB 4.28Å; F130-K297 HydrophobicContact CE1-CD 3.96Å; F130-K297 HydrophobicContact CE2-CB 3.61Å; F130-K297 HydrophobicContact CE2-CD 4.47Å; F130-K297 HydrophobicContact CG-CB 4.03Å; F130-K297 HydrophobicContact CZ-CB 3.94Å; F130-K297 HydrophobicContact CZ-CD 3.93Å; F130-K297 PolarHBondContact N-O 3.46Å; L295-K297 PolarHBondContact O-N 3.11Å
298M95.9Very high94.8Very high2 Ų259.8 Ų59.81%0.0130%0.299CS..G310 helixtrans-106.67.9171.249.4166.315000113.8W111 V113 F115 F130 L295 L296 N300 H301 Y304W111-M298 HydrophobicContact CB-CE 4.48Å; W111-M298 HydrophobicContact CD2-CE 3.6Å; W111-M298 HydrophobicContact CE3-CE 3.3Å; W111-M298 HydrophobicContact CE3-SD 4.36Å; W111-M298 HydrophobicContact CG-CE 4.11Å; W111-M298 HydrophobicContact CH2-CE 4.42Å; W111-M298 HydrophobicContact CZ3-CE 3.74Å; V113-M298 HydrophobicContact CB-CB 4.42Å; V113-M298 HydrophobicContact CB-SD 3.53Å; V113-M298 VanDerWaalsContact CB-SD 3.53Å; V113-M298 HydrophobicContact CG1-CB 4.05Å; V113-M298 HydrophobicContact CG1-SD 4.18Å; V113-M298 HydrophobicContact CG2-CB 4.42Å; V113-M298 HydrophobicContact CG2-CG 4.44Å; V113-M298 HydrophobicContact CG2-SD 3.47Å; V113-M298 WeakPolarHBondContact CG2-SD 3.49Å; F115-M298 HydrophobicContact CE1-CB 4.07Å; F115-M298 HydrophobicContact CE1-SD 4.17Å; F115-M298 HydrophobicContact CZ-SD 4.28Å; F130-M298 HydrophobicContact CD2-CB 4.08Å; F130-M298 HydrophobicContact CD2-CG 4.39Å; L295-M298 HydrophobicContact CB-CE 3.29Å; L295-M298 HydrophobicContact CB-CG 4.39Å; L295-M298 HydrophobicContact CD2-CE 3.33Å; L295-M298 HydrophobicContact CG-CE 3.94Å; L295-M298 WeakPolarHBondContact O-CG 3.48Å; L295-M298 PolarHBondContact O-N 2.9Å; L296-M298 PolarHBondContact O-N 3.08Å; L296-M298 VanDerWaalsContact O-N 3.11Å; M298-N300 PolarHBondContact O-N 2.94Å; M298-N300 VanDerWaalsContact O-N 3.07Å; M298-H301 WeakPolarHBondContact O-CB 3.14Å; M298-H301 PolarHBondContact O-N 2.73Å; M298-H301 VanDerWaalsContact O-N 3.08Å; M298-Y304 HydrophobicContact CG-CD2 3.82Å; M298-Y304 HydrophobicContact CG-CE2 4.13Å; M298-Y304 HydrophobicContact SD-CD2 4.27Å
299A95.8Very high94.4Very high25 Ų2559.5 Ų59.521%0.20731%0.311CS..THydrogen-bonded Turntrans-63.4-19.6-172.400000114.4L296 H301 Y304 K307L296-A299 WeakPolarHBondContact O-CB 3.31Å; L296-A299 PolarHBondContact O-N 3.07Å; A299-H301 VanDerWaalsContact C-N 3.28Å; A299-H301 PolarHBondContact O-N 3.12Å; A299-Y304 HydrophobicContact CB-CD1 4.2Å; A299-Y304 HydrophobicContact CB-CD2 4.47Å; A299-Y304 HydrophobicContact CB-CE1 4.1Å; A299-Y304 HydrophobicContact CB-CE2 4.38Å; A299-Y304 HydrophobicContact CB-CG 4.35Å; A299-K307 WeakPolarHBondContact O-CE 2.96Å; A299-K307 PolarHBondContact O-NZ 2.82Å
300N92.1Very high94.3Very high127 Ų12758 Ų5868%0.67930%0.298SS*.THydrogen-bonded Turntrans-73.7-20.2178.1-66.9-22.2000112.9M298M298-N300 PolarHBondContact O-N 2.94Å; M298-N300 VanDerWaalsContact O-N 3.07Å
301H96.6Very high94.4Very high5 Ų555.7 Ų55.72%0.02329%0.288CS..SBendtrans-70.2147.4179.6-163.8-92000112V113 V132 D133 E134 M298 A299 E303 Y304 K307V113-H301 HydrophobicContact CG1-CB 3.75Å; V113-H301 HydrophobicContact CG2-CB 4.32Å; V132-H301 HydrophobicContact CG1-CB 4.26Å; D133-H301 PolarHBondContact O-NE2 2.63Å; E134-H301 IonicContact OE1-CD2 3.52Å; E134-H301 IonicContact OE1-NE2 2.74Å; E134-H301 IonicContact OE2-CE1 3.88Å; E134-H301 IonicContact OE2-NE2 3.16Å; M298-H301 WeakPolarHBondContact O-CB 3.14Å; M298-H301 PolarHBondContact O-N 2.73Å; M298-H301 VanDerWaalsContact O-N 3.08Å; A299-H301 VanDerWaalsContact C-N 3.28Å; A299-H301 PolarHBondContact O-N 3.12Å; H301-E303 VanDerWaalsContact C-N 3.32Å; H301-E303 WeakPolarHBondContact ND1-CB 3.2Å; H301-E303 PolarHBondContact ND1-N 3.09Å; H301-Y304 WeakPolarHBondContact O-CB 3.41Å; H301-Y304 PolarHBondContact O-N 2.91Å; H301-K307 PolarHBondContact O-NZ 2.76Å
302S95.4Very high94.4Very high63 Ų6357.1 Ų57.144%0.44130%0.298SS..THydrogen-bonded Turntrans-61.5-41176.755.90000111.6R164 Y304R164-S302 PolarHBondContact NH2-O 2.86Å; S302-Y304 VanDerWaalsContact C-N 3.26Å; S302-Y304 PolarHBondContact O-N 3.39Å
303E97.6Very high94.6Very high46 Ų4659.1 Ų59.122%0.21531%0.309CS..THydrogen-bonded Turntrans-8414.6176.5-59.9-58.6155.200115.3P112 V113 H137 R164 Q165 H301 P305P112-E303 VanDerWaalsContact O-CB 3.32Å; P112-E303 WeakPolarHBondContact O-CB 3.36Å; V113-E303 VanDerWaalsContact CG2-O 3.32Å; V113-E303 WeakPolarHBondContact CG2-O 3.44Å; H137-E303 IonicContact CE1-OE2 3.98Å; H137-E303 PolarHBondContact CE1-OE2 2.87Å; H137-E303 VanDerWaalsContact CE1-OE2 3.3Å; R164-E303 IonicContact NH2-OE1 3.89Å; R164-E303 IonicContact NH2-OE2 2.73Å; R164-E303 PolarHBondContact NH2-OE2 2.9Å; Q165-E303 VanDerWaalsContact CG-OE2 3.27Å; Q165-E303 WeakPolarHBondContact CG-OE2 3.26Å; Q165-E303 PolarHBondContact NE2-O 2.83Å; Q165-E303 PolarHBondContact NE2-OE2 3.47Å; H301-E303 VanDerWaalsContact C-N 3.32Å; H301-E303 WeakPolarHBondContact ND1-CB 3.2Å; H301-E303 PolarHBondContact ND1-N 3.09Å; E303-P305 WeakPolarHBondContact O-CD 3.12Å
304Y98.2Very high94.6Very high13 Ų1360.8 Ų60.85%0.05132%0.319CS..  trans-64.7118.1168178.7-106.6000109.8K294 M298 A299 H301 S302 F306 K307K294-Y304 VanDerWaalsContact O-CE2 3.24Å; K294-Y304 WeakPolarHBondContact O-CE2 3.41Å; K294-Y304 PolarHBondContact O-OH 2.96Å; M298-Y304 HydrophobicContact CG-CD2 3.82Å; M298-Y304 HydrophobicContact CG-CE2 4.13Å; M298-Y304 HydrophobicContact SD-CD2 4.27Å; A299-Y304 HydrophobicContact CB-CD1 4.2Å; A299-Y304 HydrophobicContact CB-CD2 4.47Å; A299-Y304 HydrophobicContact CB-CE1 4.1Å; A299-Y304 HydrophobicContact CB-CE2 4.38Å; A299-Y304 HydrophobicContact CB-CG 4.35Å; H301-Y304 WeakPolarHBondContact O-CB 3.41Å; H301-Y304 PolarHBondContact O-N 2.91Å; S302-Y304 VanDerWaalsContact C-N 3.26Å; S302-Y304 PolarHBondContact O-N 3.39Å; Y304-F306 VanDerWaalsContact C-N 3.28Å; Y304-F306 HydrophobicContact CD1-CB 4.45Å; Y304-F306 HydrophobicContact CE1-CB 3.73Å; Y304-F306 HydrophobicContact CE1-CD2 4.37Å; Y304-F306 HydrophobicContact CE1-CG 4.45Å; Y304-F306 HydrophobicContact CE2-CD2 4.11Å; Y304-F306 AromaticContact CZ-CD2 3.76Å; Y304-F306 PolarHBondContact O-N 3.2Å; Y304-K307 HydrophobicContact CD1-CD 4.46Å; Y304-K307 HydrophobicContact CD1-CG 4.09Å
305P97.7Very high94.7Very high1 Ų158.9 Ų58.91%0.00632%0.315CS..G310 helixtrans-72.5-20.4-161.624-31.5000113.9W111 P112 N160 N162 E303W111-P305 HydrophobicContact CE3-CG 4.41Å; W111-P305 HydrophobicContact CZ3-CG 4.31Å; P112-P305 HydrophobicContact CG-CB 3.86Å; P112-P305 HydrophobicContact CG-CG 3.74Å; N160-P305 WeakPolarHBondContact O-CB 3.28Å; N160-P305 VanDerWaalsContact O-CG 3.3Å; N160-P305 WeakPolarHBondContact O-CG 3.27Å; N162-P305 HydrophobicContact CB-CB 4.28Å; N162-P305 PolarHBondContact ND2-O 2.93Å; E303-P305 WeakPolarHBondContact O-CD 3.12Å
306F96.8Very high94.7Very high42 Ų4259.3 Ų59.318%0.18432%0.317CS..G310 helixtrans-10219.2-168-45.4-38.8000113.5W111 R291 F293 Y304W111-F306 AromaticContact CH2-CE2 3.83Å; W111-F306 HydrophobicContact CH2-CE2 3.83Å; W111-F306 AromaticContact CH2-CZ 3.86Å; W111-F306 HydrophobicContact CH2-CZ 3.86Å; W111-F306 AromaticContact CZ3-CE2 3.52Å; W111-F306 HydrophobicContact CZ3-CE2 3.52Å; W111-F306 AromaticContact CZ3-CZ 3.51Å; W111-F306 HydrophobicContact CZ3-CZ 3.51Å; R291-F306 VanDerWaalsContact CZ-CD1 3.44Å; R291-F306 VanDerWaalsContact NE-CD1 3.32Å; F293-F306 WeakPolarHBondContact O-CE2 3.43Å; Y304-F306 VanDerWaalsContact C-N 3.28Å; Y304-F306 HydrophobicContact CD1-CB 4.45Å; Y304-F306 HydrophobicContact CE1-CB 3.73Å; Y304-F306 HydrophobicContact CE1-CD2 4.37Å; Y304-F306 HydrophobicContact CE1-CG 4.45Å; Y304-F306 HydrophobicContact CE2-CD2 4.11Å; Y304-F306 AromaticContact CZ-CD2 3.76Å; Y304-F306 PolarHBondContact O-N 3.2Å
307K93.9Very high94.7Very high123 Ų12355.4 Ų55.454%0.53530%0.297SS..G310 helixtrans-77.8-29.9160.8-79.5163.9-177.8172.10111.1A299 H301 Y304A299-K307 WeakPolarHBondContact O-CE 2.96Å; A299-K307 PolarHBondContact O-NZ 2.82Å; H301-K307 PolarHBondContact O-NZ 2.76Å; Y304-K307 HydrophobicContact CD1-CD 4.46Å; Y304-K307 HydrophobicContact CD1-CG 4.09Å
308D92.9Very high94.5Very high54 Ų5451.2 Ų51.229%0.28928%0.283SS..SBendtrans-87160.2176.8-49.6-103.7000111N162 R164N162-D308 VanDerWaalsContact ND2-CG 3.32Å; N162-D308 PolarHBondContact ND2-OD2 2.94Å; R164-D308 IonicContact CZ-OD1 3.17Å; R164-D308 IonicContact CZ-OD2 2.84Å; R164-D308 IonicContact NH1-OD1 3.33Å; R164-D308 PolarHBondContact NH1-OD1 3.07Å; R164-D308 IonicContact NH1-OD2 3.12Å; R164-D308 PolarHBondContact NH1-OD2 2.87Å
309A84.9Confident94.4Very high91 Ų9155.3 Ų55.375%0.75231%0.306SS*.  trans-65.4-39.9-176.700000113.1
310Y90.5Very high94.3Very high74 Ų7458.1 Ų58.129%0.2932%0.315SS..  trans-162.60179.959.8-85.3000111.5N162 K163 Q192 L193N162-Y310 WeakPolarHBondContact CA-OXT 3.5Å; N162-Y310 VanDerWaalsContact CB-OXT 3.24Å; N162-Y310 WeakPolarHBondContact CB-OXT 3.39Å; K163-Y310 HydrophobicContact CB-CD2 4Å; K163-Y310 HydrophobicContact CB-CE2 4.1Å; K163-Y310 VanDerWaalsContact CB-O 3.28Å; K163-Y310 WeakPolarHBondContact CB-O 3.33Å; K163-Y310 HydrophobicContact CD-CD2 4.13Å; K163-Y310 HydrophobicContact CD-CE2 3.37Å; K163-Y310 HydrophobicContact CG-CE2 4.37Å; K163-Y310 PolarHBondContact N-O 2.84Å; K163-Y310 PolarHBondContact N-OXT 2.96Å; Q192-Y310 HydrophobicContact CB-CD1 3.86Å; Q192-Y310 HydrophobicContact CB-CD2 3.97Å; Q192-Y310 HydrophobicContact CB-CE1 4.24Å; Q192-Y310 HydrophobicContact CB-CE2 4.27Å; Q192-Y310 HydrophobicContact CB-CG 3.75Å; L193-Y310 VanDerWaalsContact CD1-OXT 3.31Å; L193-Y310 WeakPolarHBondContact CD1-OXT 3.49Å; L193-Y310 WeakPolarHBondContact CD2-OXT 3.39Å

Retrieved 310 of 310 residues in 71.3 ms (Link to these results)

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