A0A077Z8Z5_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077Z8Z5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 406 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
1M31.5Very low51.4Low247 Ų247115.9 Ų115.9100%1.21762%0.616SS**  0101.90-70179.8-177.200108G3M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.83Å
2S29.1Very low54.7Low118 Ų118111.3 Ų111.383%0.82559%0.59SS**  trans-77.982.8-179.255.10000110R4S2-R4 PolarHBondContact O-N 2.62Å; S2-R4 VanDerWaalsContact O-N 3.1Å
3G30.5Very low57.2Low66 Ų66106.2 Ų106.268%0.6858%0.58SS**  trans-69.799.6161.500000107.4M1 Y5M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.83Å; G3-Y5 PolarHBondContact O-N 3.3Å
4R29.8Very low59.6Low247 Ų247101.4 Ų101.493%0.93256%0.558SS**  trans-65.183.3163-74.9-174.5-177.7-177.20.9106.8S2 D6S2-R4 PolarHBondContact O-N 2.62Å; S2-R4 VanDerWaalsContact O-N 3.1Å; R4-D6 PolarHBondContact O-N 3.44Å
5Y30.7Very low61.4Low199 Ų199100.1 Ų100.178%0.7855%0.554SS**  trans-65.2110.7157.2-115-89.2000105G3 P7G3-Y5 PolarHBondContact O-N 3.3Å; Y5-P7 VanDerWaalsContact O-CD 3.23Å; Y5-P7 WeakPolarHBondContact O-CD 3.49Å
6D50.1Low63Low76 Ų7694.9 Ų94.941%0.40652%0.524SS..  trans-66.5112.4160.6-161.1-5.8000104.7R4 L8 D9 Q28R4-D6 PolarHBondContact O-N 3.44Å; D6-L8 PolarHBondContact O-N 3.43Å; D6-D9 PolarHBondContact O-N 2.83Å; D6-Q28 PolarHBondContact OD2-NE2 2.92Å
7P46.4Very low64.1Low112 Ų11293.9 Ų93.973%0.72752%0.515SS*.THydrogen-bonded Turntrans-65.510-169.324.8-32.9000114.3Y5Y5-P7 VanDerWaalsContact O-CD 3.23Å; Y5-P7 WeakPolarHBondContact O-CD 3.49Å
8L65.7Low64.9Low47 Ų4798.8 Ų98.825%0.24653%0.53CS..THydrogen-bonded Turntrans-118.2-0.6-172.9-94.9136.4000114.9D6 L10 I108D6-L8 PolarHBondContact O-N 3.43Å; L8-L10 PolarHBondContact O-N 3.39Å; L8-I108 HydrophobicContact CD2-CG2 3.43Å; L8-I108 VanDerWaalsContact CD2-CG2 3.43Å
9D80.5Confident66.1Low58 Ų5896 Ų9631%0.3152%0.515SS..PPolyproline II helixtrans-77.9117.1174.9-88-3.5000111.2D6 P11 K25 Y35D6-D9 PolarHBondContact O-N 2.83Å; D9-P11 WeakPolarHBondContact O-CD 3.12Å; D9-K25 IonicContact OD1-NZ 3.56Å; D9-K25 PolarHBondContact OD1-NZ 3.43Å; D9-K25 IonicContact OD2-NZ 2.69Å; D9-K25 PolarHBondContact OD2-NZ 2.87Å; D9-Y35 WeakPolarHBondContact CA-OH 3.37Å; D9-Y35 PolarHBondContact OD1-OH 3.12Å; D9-Y35 VanDerWaalsContact OD1-OH 3.08Å
10L84.7Confident67.3Low27 Ų2792.2 Ų92.214%0.14149%0.493CS..PPolyproline II helixtrans-69.2122.7177-64176.9000109L8 I12 F16 I22 Y35 L49 I108L8-L10 PolarHBondContact O-N 3.39Å; L10-I12 PolarHBondContact O-N 3.34Å; L10-F16 HydrophobicContact CD1-CD2 4.32Å; L10-F16 HydrophobicContact CD2-CD2 4.08Å; L10-F16 HydrophobicContact CD2-CE2 4.27Å; L10-I22 HydrophobicContact CB-CD1 4.24Å; L10-I22 HydrophobicContact CB-CG1 4.06Å; L10-I22 HydrophobicContact CB-CG2 4.47Å; L10-I22 HydrophobicContact CD1-CD1 3.88Å; L10-Y35 HydrophobicContact CB-CE1 4.14Å; L10-Y35 HydrophobicContact CB-CE2 4.3Å; L10-Y35 HydrophobicContact CD1-CD2 4.12Å; L10-Y35 HydrophobicContact CD1-CE2 4.04Å; L10-Y35 HydrophobicContact CG-CE2 4.2Å; L10-Y35 PolarHBondContact N-OH 3.11Å; L10-Y35 VanDerWaalsContact N-OH 3.16Å; L10-L49 HydrophobicContact CD1-CD2 3.87Å; L10-I108 HydrophobicContact CD1-CD1 4.23Å; L10-I108 HydrophobicContact CD2-CD1 4.09Å
11P86.9Confident68.5Low78 Ų7889.1 Ų89.151%0.50648%0.478SS..PPolyproline II helixtrans-63.8133.1-173.8-22.431.8000112.7D9 G13 S14D9-P11 WeakPolarHBondContact O-CD 3.12Å; P11-G13 PolarHBondContact O-N 3.25Å; P11-S14 VanDerWaalsContact O-CB 3.27Å; P11-S14 WeakPolarHBondContact O-CB 3.34Å; P11-S14 PolarHBondContact O-N 3.14Å; P11-S14 PolarHBondContact O-OG 3.44Å
12I90.2Very high71.5Confident61 Ų6177.4 Ų77.431%0.31342%0.42SS..THydrogen-bonded Turntrans-62.9126.9175.5-65.1172.8000110.7L10 A23 R392L10-I12 PolarHBondContact O-N 3.34Å; I12-A23 WeakPolarHBondContact CG2-O 3.26Å; I12-R392 PolarHBondContact O-NH1 3.22Å; I12-R392 VanDerWaalsContact O-NH1 3.11Å
13G87.9Confident74.5Confident44 Ų4471.8 Ų71.845%0.45438%0.381SS..THydrogen-bonded Turntrans89.8-7-175.100000114.4P11 I22P11-G13 PolarHBondContact O-N 3.25Å; G13-I22 WeakPolarHBondContact CA-O 3.44Å; G13-I22 PolarHBondContact N-O 3.16Å
14S89.8Confident77.4Confident39 Ų3969 Ų6927%0.27335%0.35SS..  trans-72.9151175680000111.8P11 T21 I22P11-S14 VanDerWaalsContact O-CB 3.27Å; P11-S14 WeakPolarHBondContact O-CB 3.34Å; P11-S14 PolarHBondContact O-N 3.14Å; P11-S14 PolarHBondContact O-OG 3.44Å; S14-T21 WeakPolarHBondContact O-CA 3.36Å; S14-I22 PolarHBondContact O-N 3.34Å
15V87.5Confident80.4Confident83 Ų8360.2 Ų60.250%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-93.3115.8173.3-1790000109K18V15-K18 VanDerWaalsContact CG1-C 3.41Å; V15-K18 WeakPolarHBondContact CG1-O 3.18Å
16F86.1Confident83.2Confident16 Ų1653.5 Ų53.57%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-94.9134.5176.9-177.1-105.3000111L10 K18 N19 W20 I22 L49 I108 Y110L10-F16 HydrophobicContact CD1-CD2 4.32Å; L10-F16 HydrophobicContact CD2-CD2 4.08Å; L10-F16 HydrophobicContact CD2-CE2 4.27Å; F16-K18 PolarHBondContact O-N 2.85Å; F16-K18 VanDerWaalsContact O-N 3.09Å; F16-N19 PolarHBondContact O-N 3.07Å; F16-W20 HydrophobicContact CB-CB 4.3Å; F16-W20 WeakPolarHBondContact CB-O 3.2Å; F16-W20 PolarHBondContact N-O 3.37Å; F16-W20 WeakPolarHBondContact O-CB 3.32Å; F16-W20 PolarHBondContact O-N 3.2Å; F16-I22 HydrophobicContact CB-CD1 3.85Å; F16-I22 HydrophobicContact CB-CG1 4.29Å; F16-L49 HydrophobicContact CD1-CD1 3.5Å; F16-L49 HydrophobicContact CE1-CD1 3.78Å; F16-L49 HydrophobicContact CG-CD1 4.34Å; F16-I108 HydrophobicContact CE2-CD1 3.57Å; F16-I108 HydrophobicContact CE2-CG1 4.16Å; F16-I108 HydrophobicContact CZ-CD1 3.53Å; F16-I108 HydrophobicContact CZ-CG1 4.09Å; F16-Y110 AromaticContact CE1-CD1 3.68Å; F16-Y110 HydrophobicContact CE1-CD1 3.68Å; F16-Y110 AromaticContact CE1-CD2 3.95Å; F16-Y110 HydrophobicContact CE1-CD2 3.95Å; F16-Y110 HydrophobicContact CE1-CE1 4.01Å; F16-Y110 HydrophobicContact CE1-CE2 4.28Å; F16-Y110 AromaticContact CE1-CG 3.63Å; F16-Y110 HydrophobicContact CE1-CG 3.63Å; F16-Y110 AromaticContact CZ-CD1 3.59Å; F16-Y110 HydrophobicContact CZ-CD1 3.59Å; F16-Y110 HydrophobicContact CZ-CE1 4.06Å; F16-Y110 AromaticContact CZ-CG 3.93Å; F16-Y110 HydrophobicContact CZ-CG 3.93Å
17Q82.6Confident84.9Confident78 Ų7851.5 Ų51.536%0.36429%0.293SS..THydrogen-bonded Turntrans48.439.7178.1-65.7-75.2-11.300113.5N19 Y110Q17-N19 PolarHBondContact O-N 3.34Å; Q17-Y110 HydrophobicContact CG-CE1 3.8Å
18K78.7Confident86.6Confident182 Ų18251.3 Ų51.379%0.79128%0.283SS*.THydrogen-bonded Turntrans68.2-27.7179.6-54.8179.8179.2-179.80116.8V15 F16V15-K18 VanDerWaalsContact CG1-C 3.41Å; V15-K18 WeakPolarHBondContact CG1-O 3.18Å; F16-K18 PolarHBondContact O-N 2.85Å; F16-K18 VanDerWaalsContact O-N 3.09Å
19N86.9Confident86.8Confident46 Ų4651.5 Ų51.525%0.24630%0.296CS..THydrogen-bonded Turntrans-121.5-7.1-168.7-64.52.2000114.7F16 Q17 N40 E41F16-N19 PolarHBondContact O-N 3.07Å; Q17-N19 PolarHBondContact O-N 3.34Å; N19-N40 WeakPolarHBondContact O-CB 3.06Å; N19-N40 PolarHBondContact O-N 3.36Å; N19-N40 PolarHBondContact O-ND2 2.77Å; N19-E41 PolarHBondContact ND2-OE1 3.06Å; N19-E41 PolarHBondContact ND2-OE2 3.33Å
20W90.4Very high86.1Confident20 Ų2052.6 Ų52.68%0.07632%0.321CS..EExtended strand (participates in β ladder)trans-115.3103.2-172.4-58.497.2000111.6F16 I22 V37 Q38 D39 Y47 I100 I112F16-W20 HydrophobicContact CB-CB 4.3Å; F16-W20 WeakPolarHBondContact CB-O 3.2Å; F16-W20 PolarHBondContact N-O 3.37Å; F16-W20 WeakPolarHBondContact O-CB 3.32Å; F16-W20 PolarHBondContact O-N 3.2Å; W20-I22 PolarHBondContact O-N 3.07Å; W20-V37 HydrophobicContact CB-CB 4.47Å; W20-V37 HydrophobicContact CD2-CG2 4.46Å; W20-V37 HydrophobicContact CE3-CB 4.35Å; W20-V37 HydrophobicContact CE3-CG2 3.61Å; W20-V37 HydrophobicContact CZ3-CG2 4.16Å; W20-Q38 CarbonylContact C-O 3.53Å; W20-Q38 WeakPolarHBondContact CA-O 3.24Å; W20-D39 HydrophobicContact CE3-CB 4.07Å; W20-D39 HydrophobicContact CH2-CB 4.01Å; W20-D39 VanDerWaalsContact CH2-OD2 3.22Å; W20-D39 WeakPolarHBondContact CH2-OD2 3.38Å; W20-D39 HydrophobicContact CZ3-CB 3.55Å; W20-Y47 HydrophobicContact CH2-CD2 4.07Å; W20-Y47 HydrophobicContact CH2-CE2 4.24Å; W20-Y47 HydrophobicContact CH2-CG 4.39Å; W20-Y47 AromaticContact CZ3-CD2 3.45Å; W20-Y47 HydrophobicContact CZ3-CD2 3.45Å; W20-Y47 VanDerWaalsContact CZ3-CD2 3.45Å; W20-Y47 AromaticContact CZ3-CE2 3.97Å; W20-Y47 HydrophobicContact CZ3-CE2 3.97Å; W20-Y47 AromaticContact CZ3-CG 3.89Å; W20-Y47 HydrophobicContact CZ3-CG 3.89Å; W20-I100 HydrophobicContact CH2-CG2 3.95Å; W20-I100 HydrophobicContact CZ2-CG2 4.33Å; W20-I112 HydrophobicContact CD2-CD1 3.5Å; W20-I112 VanDerWaalsContact CD2-CD1 3.5Å; W20-I112 HydrophobicContact CE3-CD1 4.09Å; W20-I112 HydrophobicContact CE3-CG2 4.39Å; W20-I112 HydrophobicContact CG-CD1 3.83Å; W20-I112 HydrophobicContact CH2-CD1 4.2Å; W20-I112 HydrophobicContact CH2-CG2 3.73Å; W20-I112 HydrophobicContact CZ2-CD1 3.62Å; W20-I112 HydrophobicContact CZ2-CG2 4.14Å; W20-I112 HydrophobicContact CZ3-CD1 4.38Å; W20-I112 HydrophobicContact CZ3-CG2 3.85Å
21T92.8Very high85.3Confident28 Ų2855.2 Ų55.217%0.17233%0.331CS..EExtended strand (participates in β ladder)trans-79.7122176-56.50000110.1S14 A23 V37 Q38 N40S14-T21 WeakPolarHBondContact O-CA 3.36Å; T21-A23 PolarHBondContact O-N 3.11Å; T21-V37 CarbonylContact O-C 3.58Å; T21-V37 VanDerWaalsContact O-CA 3.28Å; T21-V37 WeakPolarHBondContact O-CA 3.35Å; T21-Q38 PolarHBondContact N-O 3.09Å; T21-Q38 PolarHBondContact O-N 3.35Å; T21-N40 PolarHBondContact OG1-ND2 2.94Å; T21-N40 PolarHBondContact OG1-OD1 3.47Å
22I93.7Very high85.1Confident0 Ų052.6 Ų52.60%032%0.318CS..EExtended strand (participates in β ladder)trans-69.5111.8177.1-52.8-57000108.9L10 G13 S14 F16 W20 Y35 V37 L49L10-I22 HydrophobicContact CB-CD1 4.24Å; L10-I22 HydrophobicContact CB-CG1 4.06Å; L10-I22 HydrophobicContact CB-CG2 4.47Å; L10-I22 HydrophobicContact CD1-CD1 3.88Å; G13-I22 WeakPolarHBondContact CA-O 3.44Å; G13-I22 PolarHBondContact N-O 3.16Å; S14-I22 PolarHBondContact O-N 3.34Å; F16-I22 HydrophobicContact CB-CD1 3.85Å; F16-I22 HydrophobicContact CB-CG1 4.29Å; W20-I22 PolarHBondContact O-N 3.07Å; I22-Y35 HydrophobicContact CG2-CD1 3.81Å; I22-Y35 HydrophobicContact CG2-CG 4.34Å; I22-V37 HydrophobicContact CD1-CG1 3.61Å; I22-L49 HydrophobicContact CD1-CD1 4.4Å
23A92.3Very high85Confident0 Ų049.9 Ų49.90%031%0.305CS..EExtended strand (participates in β ladder)trans-86.1-53.1-17800000111.5I12 T21 K36 F46 Y385I12-A23 WeakPolarHBondContact CG2-O 3.26Å; T21-A23 PolarHBondContact O-N 3.11Å; A23-K36 WeakPolarHBondContact CA-O 3.38Å; A23-K36 HydrophobicContact CB-CB 4.33Å; A23-K36 HydrophobicContact CB-CG 4.27Å; A23-K36 WeakPolarHBondContact CB-O 3.2Å; A23-K36 PolarHBondContact N-O 3.45Å; A23-F46 HydrophobicContact CB-CE1 4.2Å; A23-Y385 HydrophobicContact CB-CD2 4.31Å; A23-Y385 HydrophobicContact CB-CE2 3.85Å; A23-Y385 WeakPolarHBondContact O-CD2 3.43Å; A23-Y385 WeakPolarHBondContact O-CE2 3.39Å
24L92.9Very high85.2Confident9 Ų950 Ų505%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-160.8161.1177.766.6103.4000110.5L26 Y35 K36 Y385L24-L26 HydrophobicContact CD1-CD2 3.65Å; L24-L26 HydrophobicContact CD1-CG 4.12Å; L24-Y35 CarbonylContact O-C 3.44Å; L24-Y35 VanDerWaalsContact O-CA 3.3Å; L24-Y35 WeakPolarHBondContact O-CA 3.37Å; L24-K36 HydrophobicContact CD1-CB 4.43Å; L24-K36 HydrophobicContact CD2-CB 4.24Å; L24-K36 HydrophobicContact CD2-CD 3.88Å; L24-K36 HydrophobicContact CG-CB 3.87Å; L24-K36 HydrophobicContact CG-CD 4.44Å; L24-K36 PolarHBondContact N-O 3.4Å; L24-K36 PolarHBondContact O-N 3.1Å; L24-Y385 HydrophobicContact CB-CD2 4.39Å; L24-Y385 VanDerWaalsContact CD2-CB 3.5Å; L24-Y385 HydrophobicContact CD2-CD2 4.31Å; L24-Y385 HydrophobicContact CD2-CG 4.06Å
25K91.9Very high85.5Confident61 Ų6148.2 Ų48.227%0.26528%0.284SS..EExtended strand (participates in β ladder)trans-85.6118.9173.1-173.3168.6170.8174.50109.3D9 Y35D9-K25 IonicContact OD1-NZ 3.56Å; D9-K25 PolarHBondContact OD1-NZ 3.43Å; D9-K25 IonicContact OD2-NZ 2.69Å; D9-K25 PolarHBondContact OD2-NZ 2.87Å; K25-Y35 HydrophobicContact CB-CD1 3.87Å; K25-Y35 HydrophobicContact CB-CE1 3.8Å; K25-Y35 HydrophobicContact CD-CE1 3.97Å; K25-Y35 HydrophobicContact CG-CD1 4.15Å; K25-Y35 HydrophobicContact CG-CE1 3.8Å
26L89.2Confident85.8Confident59 Ų5944.3 Ų44.331%0.30926%0.26SS..EExtended strand (participates in β ladder)trans-83-32-179.2-69.4168.8000112L24 V34 K36 L115 Y381L24-L26 HydrophobicContact CD1-CD2 3.65Å; L24-L26 HydrophobicContact CD1-CG 4.12Å; L26-V34 WeakPolarHBondContact CA-O 3.37Å; L26-V34 HydrophobicContact CB-CB 4.46Å; L26-V34 HydrophobicContact CB-CG1 4.33Å; L26-V34 WeakPolarHBondContact CB-O 3.37Å; L26-V34 HydrophobicContact CD1-CG1 4.14Å; L26-V34 PolarHBondContact N-O 2.95Å; L26-K36 HydrophobicContact CD1-CB 4.01Å; L26-K36 HydrophobicContact CD2-CB 4.22Å; L26-K36 HydrophobicContact CG-CB 4.04Å; L26-L115 HydrophobicContact CD1-CD1 3.69Å; L26-Y381 HydrophobicContact CD2-CD1 4.34Å; L26-Y381 HydrophobicContact CD2-CD2 3.84Å; L26-Y381 HydrophobicContact CD2-CE2 4.12Å; L26-Y381 HydrophobicContact CD2-CG 3.97Å
27G85.6Confident86.2Confident33 Ų3343.6 Ų43.634%0.3426%0.257SS..EExtended strand (participates in β ladder)trans179.2166.5178.600000112.4A33 V34G27-A33 WeakPolarHBondContact O-CA 3.34Å; G27-V34 PolarHBondContact N-O 3.16Å; G27-V34 PolarHBondContact O-N 3.25Å
28Q82.9Confident86.7Confident109 Ų10942.8 Ų42.851%0.50925%0.253SS..EExtended strand (participates in β ladder)trans-136.3132.6174.7-173.2173.711.700108.9D6 A33D6-Q28 PolarHBondContact OD2-NE2 2.92Å; Q28-A33 HydrophobicContact CB-CB 4.47Å; Q28-A33 HydrophobicContact CG-CB 4.34Å
29G69.6Low87.3Confident50 Ų5034.3 Ų34.352%0.51522%0.217SC..EExtended strand (participates in β ladder)trans-123.5-178.5173.600000111.1F31 G32G29-F31 PolarHBondContact O-N 3.4Å; G29-F31 VanDerWaalsContact O-N 3.07Å; G29-G32 PolarHBondContact N-O 2.77Å; G29-G32 PolarHBondContact O-N 3.09Å; G29-G32 VanDerWaalsContact O-O 3.07Å
30G65.9Low87.3Confident81 Ų8136 Ų3684%0.83523%0.225SC*.THydrogen-bonded Turntrans-62.5-17.1-178.700000115
31F67.9Low87.1Confident83 Ų8341.8 Ų41.836%0.36425%0.253SS..THydrogen-bonded Turntrans-104.4-6.1-176.3-58.3-68.7000114G29 S52 Y60 V79 L184G29-F31 PolarHBondContact O-N 3.4Å; G29-F31 VanDerWaalsContact O-N 3.07Å; F31-S52 VanDerWaalsContact O-CB 3.26Å; F31-S52 WeakPolarHBondContact O-CB 3.45Å; F31-S52 PolarHBondContact O-OG 2.89Å; F31-Y60 HydrophobicContact CE1-CD2 4.45Å; F31-Y60 HydrophobicContact CE1-CE2 4.17Å; F31-V79 HydrophobicContact CB-CG1 3.99Å; F31-V79 HydrophobicContact CD1-CG1 4.17Å; F31-V79 HydrophobicContact CG-CG1 4.4Å; F31-L184 HydrophobicContact CE2-CD2 4.35Å; F31-L184 HydrophobicContact CZ-CD2 4.07Å
32G81.9Confident86.2Confident22 Ų2246.6 Ų46.623%0.22727%0.268CS..EExtended strand (participates in β ladder)trans152.5-169.3-173.600000114.2G29 S51G29-G32 PolarHBondContact N-O 2.77Å; G29-G32 PolarHBondContact O-N 3.09Å; G29-G32 VanDerWaalsContact O-O 3.07Å; G32-S51 CarbonylContact C-O 3.58Å; G32-S51 WeakPolarHBondContact CA-O 3.17Å
33A89.4Confident84.9Confident5 Ų556 Ų564%0.04131%0.312CS..EExtended strand (participates in β ladder)trans-122.1151.818000000111.1G27 Q28 Y35 K50 S51G27-A33 WeakPolarHBondContact O-CA 3.34Å; Q28-A33 HydrophobicContact CB-CB 4.47Å; Q28-A33 HydrophobicContact CG-CB 4.34Å; A33-Y35 HydrophobicContact CB-CD2 4.37Å; A33-Y35 HydrophobicContact CB-CE2 3.48Å; A33-Y35 VanDerWaalsContact CB-CE2 3.48Å; A33-K50 CarbonylContact O-C 3.55Å; A33-K50 WeakPolarHBondContact O-CA 3.27Å; A33-S51 PolarHBondContact N-O 2.92Å; A33-S51 PolarHBondContact O-N 3.2Å
34V92.2Very high83.6Confident46 Ų4660.3 Ų60.328%0.27933%0.332SS..EExtended strand (participates in β ladder)trans-116.4130.8175.4-173.40000108.4L26 G27 A48 L49 K50L26-V34 WeakPolarHBondContact CA-O 3.37Å; L26-V34 HydrophobicContact CB-CB 4.46Å; L26-V34 HydrophobicContact CB-CG1 4.33Å; L26-V34 WeakPolarHBondContact CB-O 3.37Å; L26-V34 HydrophobicContact CD1-CG1 4.14Å; L26-V34 PolarHBondContact N-O 2.95Å; G27-V34 PolarHBondContact N-O 3.16Å; G27-V34 PolarHBondContact O-N 3.25Å; V34-A48 HydrophobicContact CG1-CB 4.35Å; V34-L49 CarbonylContact C-O 3.59Å; V34-L49 VanDerWaalsContact CA-O 3.3Å; V34-L49 WeakPolarHBondContact CA-O 3.38Å; V34-K50 HydrophobicContact CG2-CB 4.32Å; V34-K50 HydrophobicContact CG2-CG 4.11Å
35Y94.4Very high83.1Confident2 Ų266.8 Ų66.81%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-122145.6-178.7-60.2-92000110.4D9 L10 I22 L24 K25 A33 A48 L49 S51D9-Y35 WeakPolarHBondContact CA-OH 3.37Å; D9-Y35 PolarHBondContact OD1-OH 3.12Å; D9-Y35 VanDerWaalsContact OD1-OH 3.08Å; L10-Y35 HydrophobicContact CB-CE1 4.14Å; L10-Y35 HydrophobicContact CB-CE2 4.3Å; L10-Y35 HydrophobicContact CD1-CD2 4.12Å; L10-Y35 HydrophobicContact CD1-CE2 4.04Å; L10-Y35 HydrophobicContact CG-CE2 4.2Å; L10-Y35 PolarHBondContact N-OH 3.11Å; L10-Y35 VanDerWaalsContact N-OH 3.16Å; I22-Y35 HydrophobicContact CG2-CD1 3.81Å; I22-Y35 HydrophobicContact CG2-CG 4.34Å; L24-Y35 CarbonylContact O-C 3.44Å; L24-Y35 VanDerWaalsContact O-CA 3.3Å; L24-Y35 WeakPolarHBondContact O-CA 3.37Å; K25-Y35 HydrophobicContact CB-CD1 3.87Å; K25-Y35 HydrophobicContact CB-CE1 3.8Å; K25-Y35 HydrophobicContact CD-CE1 3.97Å; K25-Y35 HydrophobicContact CG-CD1 4.15Å; K25-Y35 HydrophobicContact CG-CE1 3.8Å; A33-Y35 HydrophobicContact CB-CD2 4.37Å; A33-Y35 HydrophobicContact CB-CE2 3.48Å; A33-Y35 VanDerWaalsContact CB-CE2 3.48Å; Y35-A48 CarbonylContact O-C 3.52Å; Y35-A48 WeakPolarHBondContact O-CA 3.41Å; Y35-L49 HydrophobicContact CD2-CD2 4.04Å; Y35-L49 PolarHBondContact N-O 3.3Å; Y35-L49 PolarHBondContact O-N 3.22Å; Y35-S51 WeakPolarHBondContact CE2-OG 3.21Å
36K94.8Very high83.2Confident1 Ų166.3 Ų66.30%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-79128.6160.6-172.6175.4171.3-178.10107.3A23 L24 L26 F46 Y47 L115 E382A23-K36 WeakPolarHBondContact CA-O 3.38Å; A23-K36 HydrophobicContact CB-CB 4.33Å; A23-K36 HydrophobicContact CB-CG 4.27Å; A23-K36 WeakPolarHBondContact CB-O 3.2Å; A23-K36 PolarHBondContact N-O 3.45Å; L24-K36 HydrophobicContact CD1-CB 4.43Å; L24-K36 HydrophobicContact CD2-CB 4.24Å; L24-K36 HydrophobicContact CD2-CD 3.88Å; L24-K36 HydrophobicContact CG-CB 3.87Å; L24-K36 HydrophobicContact CG-CD 4.44Å; L24-K36 PolarHBondContact N-O 3.4Å; L24-K36 PolarHBondContact O-N 3.1Å; L26-K36 HydrophobicContact CD1-CB 4.01Å; L26-K36 HydrophobicContact CD2-CB 4.22Å; L26-K36 HydrophobicContact CG-CB 4.04Å; K36-F46 HydrophobicContact CD-CD1 4.21Å; K36-F46 HydrophobicContact CD-CG 4.38Å; K36-F46 VanDerWaalsContact CE-CB 3.46Å; K36-F46 HydrophobicContact CG-CB 4.29Å; K36-F46 HydrophobicContact CG-CD1 4.07Å; K36-F46 HydrophobicContact CG-CG 4.42Å; K36-Y47 CarbonylContact C-O 3.51Å; K36-Y47 WeakPolarHBondContact CA-O 3.45Å; K36-L115 HydrophobicContact CD-CD2 3.91Å; K36-L115 HydrophobicContact CG-CD2 3.84Å; K36-E382 VanDerWaalsContact NZ-CG 3.26Å; K36-E382 IonicContact NZ-OE1 2.95Å; K36-E382 PolarHBondContact NZ-OE1 2.86Å; K36-E382 IonicContact NZ-OE2 3.78Å; K36-E382 PolarHBondContact NZ-OE2 2.82Å
37V94.5Very high83.4Confident0 Ų063.7 Ų63.70%034%0.344CS..EExtended strand (participates in β ladder)trans-126.8145.1179.4-58.80000110.5W20 T21 I22 F46 Y47 L49W20-V37 HydrophobicContact CB-CB 4.47Å; W20-V37 HydrophobicContact CD2-CG2 4.46Å; W20-V37 HydrophobicContact CE3-CB 4.35Å; W20-V37 HydrophobicContact CE3-CG2 3.61Å; W20-V37 HydrophobicContact CZ3-CG2 4.16Å; T21-V37 CarbonylContact O-C 3.58Å; T21-V37 VanDerWaalsContact O-CA 3.28Å; T21-V37 WeakPolarHBondContact O-CA 3.35Å; I22-V37 HydrophobicContact CD1-CG1 3.61Å; V37-F46 CarbonylContact O-C 3.39Å; V37-F46 VanDerWaalsContact O-CA 3.27Å; V37-F46 WeakPolarHBondContact O-CA 3.23Å; V37-Y47 PolarHBondContact N-O 3.4Å; V37-Y47 PolarHBondContact O-N 3.44Å; V37-L49 HydrophobicContact CB-CB 4.43Å; V37-L49 HydrophobicContact CG1-CB 3.51Å; V37-L49 HydrophobicContact CG1-CD1 3.95Å; V37-L49 HydrophobicContact CG1-CG 4.34Å; V37-L49 HydrophobicContact CG2-CB 3.99Å
38Q93Very high83.8Confident61 Ų6162.5 Ų62.529%0.28533%0.332SS..EExtended strand (participates in β ladder)trans-97.9128.2172.4173.21673.300109.5W20 T21 K45 F46W20-Q38 CarbonylContact C-O 3.53Å; W20-Q38 WeakPolarHBondContact CA-O 3.24Å; T21-Q38 PolarHBondContact N-O 3.09Å; T21-Q38 PolarHBondContact O-N 3.35Å; Q38-K45 WeakPolarHBondContact CA-O 3.14Å; Q38-K45 WeakPolarHBondContact CB-O 3.41Å; Q38-K45 VanDerWaalsContact CG-O 3.3Å; Q38-K45 WeakPolarHBondContact CG-O 3.48Å; Q38-F46 HydrophobicContact CB-CD1 3.93Å; Q38-F46 HydrophobicContact CB-CE1 3.86Å; Q38-F46 HydrophobicContact CG-CE1 4.48Å
39D91.4Very high84.3Confident5 Ų557.3 Ų57.33%0.02731%0.307CS..EExtended strand (participates in β ladder)trans-77.2121.5169.6-167.6-36.1000107.9W20 E41 R42 Y47W20-D39 HydrophobicContact CE3-CB 4.07Å; W20-D39 HydrophobicContact CH2-CB 4.01Å; W20-D39 VanDerWaalsContact CH2-OD2 3.22Å; W20-D39 WeakPolarHBondContact CH2-OD2 3.38Å; W20-D39 HydrophobicContact CZ3-CB 3.55Å; D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact OD1-N 3.05Å; D39-R42 HydrophobicContact CB-CB 4.16Å; D39-R42 PolarHBondContact OD1-N 3.12Å; D39-R42 WeakPolarHBondContact OD2-CB 3.25Å; D39-R42 WeakPolarHBondContact OD2-CD 3.43Å; D39-R42 WeakPolarHBondContact OD2-CG 3.41Å; D39-R42 IonicContact OD2-CZ 2.69Å; D39-R42 IonicContact OD2-NE 3.55Å; D39-R42 IonicContact OD2-NH1 2.76Å; D39-R42 PolarHBondContact OD2-NH1 3.46Å; D39-Y47 HydrophobicContact CB-CD2 3.92Å; D39-Y47 HydrophobicContact CB-CE2 3.54Å
40N87.6Confident85.4Confident80 Ų8055.9 Ų55.943%0.42829%0.287SS..SBendtrans-79.7-11.2-178.2-64.3-23.8000112.6N19 T21N19-N40 WeakPolarHBondContact O-CB 3.06Å; N19-N40 PolarHBondContact O-N 3.36Å; N19-N40 PolarHBondContact O-ND2 2.77Å; T21-N40 PolarHBondContact OG1-ND2 2.94Å; T21-N40 PolarHBondContact OG1-OD1 3.47Å
41E84.8Confident86.6Confident142 Ų14252.2 Ų52.266%0.66425%0.248SC*.SBendtrans-112.9-32-176.2-65.4-178.5166.600113.6N19 D39N19-E41 PolarHBondContact ND2-OE1 3.06Å; N19-E41 PolarHBondContact ND2-OE2 3.33Å; D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact OD1-N 3.05Å
42R74.6Confident87.4Confident130 Ų13048.3 Ų48.349%0.49123%0.231SC..SBendtrans-91.1160-175.1-65.6-170.5-179.7106-4.9114.4D39D39-R42 HydrophobicContact CB-CB 4.16Å; D39-R42 PolarHBondContact OD1-N 3.12Å; D39-R42 WeakPolarHBondContact OD2-CB 3.25Å; D39-R42 WeakPolarHBondContact OD2-CD 3.43Å; D39-R42 WeakPolarHBondContact OD2-CG 3.41Å; D39-R42 IonicContact OD2-CZ 2.69Å; D39-R42 IonicContact OD2-NE 3.55Å; D39-R42 IonicContact OD2-NH1 2.76Å; D39-R42 PolarHBondContact OD2-NH1 3.46Å
43Q65.7Low87.3Confident196 Ų19648 Ų4892%0.91623%0.226SC*.SBendtrans-68.2-36176.7-70-175.2-12.100113.7K45Q43-K45 PolarHBondContact O-N 3.26Å
44E65.2Low86.4Confident91 Ų9148.7 Ų48.743%0.42523%0.229SC..SBendtrans-70117.8173.5-93.8179.3173.300108.9F46 Y47 R98E44-F46 PolarHBondContact O-N 3.19Å; E44-Y47 HydrophobicContact CB-CE1 4.41Å; E44-Y47 HydrophobicContact CB-CE2 4Å; E44-Y47 WeakPolarHBondContact CB-OH 3.43Å; E44-Y47 WeakPolarHBondContact O-CE2 3.45Å; E44-Y47 WeakPolarHBondContact OE2-CE1 3.28Å; E44-Y47 PolarHBondContact OE2-OH 3.43Å; E44-R98 IonicContact OE1-NH2 3.58Å; E44-R98 PolarHBondContact OE1-NH2 3.33Å; E44-R98 IonicContact OE2-CZ 3.84Å; E44-R98 IonicContact OE2-NH2 3.68Å; E44-R98 PolarHBondContact OE2-NH2 2.99Å
45K83.4Confident84.9Confident145 Ų14553.6 Ų53.663%0.6325%0.249SC*.  trans-75.9-26-168-67.1-177.2-179.4176.70114.2Q38 Q43Q38-K45 WeakPolarHBondContact CA-O 3.14Å; Q38-K45 WeakPolarHBondContact CB-O 3.41Å; Q38-K45 VanDerWaalsContact CG-O 3.3Å; Q38-K45 WeakPolarHBondContact CG-O 3.48Å; Q43-K45 PolarHBondContact O-N 3.26Å
46F93Very high83Confident52 Ų5255.2 Ų55.223%0.22826%0.263CS..  trans-144.5142-171.3-63.6-69.5000114.5A23 K36 V37 Q38 E44 L115A23-F46 HydrophobicContact CB-CE1 4.2Å; K36-F46 HydrophobicContact CD-CD1 4.21Å; K36-F46 HydrophobicContact CD-CG 4.38Å; K36-F46 VanDerWaalsContact CE-CB 3.46Å; K36-F46 HydrophobicContact CG-CB 4.29Å; K36-F46 HydrophobicContact CG-CD1 4.07Å; K36-F46 HydrophobicContact CG-CG 4.42Å; V37-F46 CarbonylContact O-C 3.39Å; V37-F46 VanDerWaalsContact O-CA 3.27Å; V37-F46 WeakPolarHBondContact O-CA 3.23Å; Q38-F46 HydrophobicContact CB-CD1 3.93Å; Q38-F46 HydrophobicContact CB-CE1 3.86Å; Q38-F46 HydrophobicContact CG-CE1 4.48Å; E44-F46 PolarHBondContact O-N 3.19Å; F46-L115 HydrophobicContact CB-CD2 3.8Å
47Y94.2Very high80.9Confident3 Ų356 Ų561%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-136.7167.6-177.8-64.5-85.6000110.9W20 K36 V37 D39 E44 I100 I112 M113W20-Y47 HydrophobicContact CH2-CD2 4.07Å; W20-Y47 HydrophobicContact CH2-CE2 4.24Å; W20-Y47 HydrophobicContact CH2-CG 4.39Å; W20-Y47 AromaticContact CZ3-CD2 3.45Å; W20-Y47 HydrophobicContact CZ3-CD2 3.45Å; W20-Y47 VanDerWaalsContact CZ3-CD2 3.45Å; W20-Y47 AromaticContact CZ3-CE2 3.97Å; W20-Y47 HydrophobicContact CZ3-CE2 3.97Å; W20-Y47 AromaticContact CZ3-CG 3.89Å; W20-Y47 HydrophobicContact CZ3-CG 3.89Å; K36-Y47 CarbonylContact C-O 3.51Å; K36-Y47 WeakPolarHBondContact CA-O 3.45Å; V37-Y47 PolarHBondContact N-O 3.4Å; V37-Y47 PolarHBondContact O-N 3.44Å; D39-Y47 HydrophobicContact CB-CD2 3.92Å; D39-Y47 HydrophobicContact CB-CE2 3.54Å; E44-Y47 HydrophobicContact CB-CE1 4.41Å; E44-Y47 HydrophobicContact CB-CE2 4Å; E44-Y47 WeakPolarHBondContact CB-OH 3.43Å; E44-Y47 WeakPolarHBondContact O-CE2 3.45Å; E44-Y47 WeakPolarHBondContact OE2-CE1 3.28Å; E44-Y47 PolarHBondContact OE2-OH 3.43Å; Y47-I100 HydrophobicContact CD1-CD1 4.01Å; Y47-I100 HydrophobicContact CD1-CG1 3.64Å; Y47-I100 HydrophobicContact CE1-CD1 3.52Å; Y47-I100 HydrophobicContact CE1-CG1 3.65Å; Y47-I100 HydrophobicContact CE1-CG2 4.46Å; Y47-I112 HydrophobicContact CG-CG2 4.35Å; Y47-M113 WeakPolarHBondContact CB-O 3.41Å
48A94.2Very high78.7Confident9 Ų962.9 Ų62.97%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-101.1127170.300000109.8V34 Y35 I112 M113 L115V34-A48 HydrophobicContact CG1-CB 4.35Å; Y35-A48 CarbonylContact O-C 3.52Å; Y35-A48 WeakPolarHBondContact O-CA 3.41Å; A48-I112 WeakPolarHBondContact O-CA 3.4Å; A48-M113 HydrophobicContact CB-CG 4Å; A48-M113 PolarHBondContact N-O 2.85Å; A48-M113 PolarHBondContact O-N 3.04Å; A48-L115 HydrophobicContact CB-CD1 4.03Å
49L93.7Very high76.5Confident0 Ų065.4 Ų65.40%031%0.314CS..EExtended strand (participates in β ladder)trans-107.9114.3172.2-177.1156.6000108.8L10 F16 I22 V34 Y35 V37 L111 I112L10-L49 HydrophobicContact CD1-CD2 3.87Å; F16-L49 HydrophobicContact CD1-CD1 3.5Å; F16-L49 HydrophobicContact CE1-CD1 3.78Å; F16-L49 HydrophobicContact CG-CD1 4.34Å; I22-L49 HydrophobicContact CD1-CD1 4.4Å; V34-L49 CarbonylContact C-O 3.59Å; V34-L49 VanDerWaalsContact CA-O 3.3Å; V34-L49 WeakPolarHBondContact CA-O 3.38Å; Y35-L49 HydrophobicContact CD2-CD2 4.04Å; Y35-L49 PolarHBondContact N-O 3.3Å; Y35-L49 PolarHBondContact O-N 3.22Å; V37-L49 HydrophobicContact CB-CB 4.43Å; V37-L49 HydrophobicContact CG1-CB 3.51Å; V37-L49 HydrophobicContact CG1-CD1 3.95Å; V37-L49 HydrophobicContact CG1-CG 4.34Å; V37-L49 HydrophobicContact CG2-CB 3.99Å; L49-L111 CarbonylContact C-O 3.58Å; L49-L111 WeakPolarHBondContact CA-O 3.44Å; L49-I112 HydrophobicContact CB-CG1 4.41Å; L49-I112 HydrophobicContact CD1-CD1 4.35Å; L49-I112 HydrophobicContact CD1-CG1 4.3Å; L49-I112 HydrophobicContact CG-CG1 4.25Å
50K91.9Very high74.3Confident20 Ų2068.2 Ų68.29%0.08732%0.324CS..EExtended strand (participates in β ladder)trans-94.7120.9169.8-172.9174.1-178.4178.80108.5A33 V34 L80 D83 Y110 L111 D181A33-K50 CarbonylContact O-C 3.55Å; A33-K50 WeakPolarHBondContact O-CA 3.27Å; V34-K50 HydrophobicContact CG2-CB 4.32Å; V34-K50 HydrophobicContact CG2-CG 4.11Å; K50-L80 HydrophobicContact CD-CD2 3.84Å; K50-L80 HydrophobicContact CG-CD2 3.85Å; K50-L80 WeakPolarHBondContact O-CD1 3.46Å; K50-D83 IonicContact NZ-OD1 3.67Å; K50-D83 PolarHBondContact NZ-OD1 2.75Å; K50-D83 IonicContact NZ-OD2 3.68Å; K50-Y110 CarbonylContact O-C 3.59Å; K50-Y110 VanDerWaalsContact O-CA 3.31Å; K50-Y110 WeakPolarHBondContact O-CA 3.36Å; K50-L111 PolarHBondContact N-O 3.44Å; K50-L111 PolarHBondContact O-N 3.11Å; K50-D181 IonicContact NZ-OD1 3.73Å; K50-D181 PolarHBondContact NZ-OD1 3.41Å; K50-D181 IonicContact NZ-OD2 3.71Å
51S89.9Confident72.1Confident3 Ų368.5 Ų68.52%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-116.9144.4177.762.30000111.5G32 A33 Y35 N109G32-S51 CarbonylContact C-O 3.58Å; G32-S51 WeakPolarHBondContact CA-O 3.17Å; A33-S51 PolarHBondContact N-O 2.92Å; A33-S51 PolarHBondContact O-N 3.2Å; Y35-S51 WeakPolarHBondContact CE2-OG 3.21Å; S51-N109 CarbonylContact C-O 3.51Å; S51-N109 VanDerWaalsContact CA-O 3.31Å; S51-N109 WeakPolarHBondContact CA-O 3.34Å
52S85.7Confident70Confident1 Ų169.9 Ų69.91%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-136.5143174.8-1740000109.5F31 I108 N109F31-S52 VanDerWaalsContact O-CB 3.26Å; F31-S52 WeakPolarHBondContact O-CB 3.45Å; F31-S52 PolarHBondContact O-OG 2.89Å; S52-I108 CarbonylContact O-C 3.43Å; S52-I108 WeakPolarHBondContact O-CA 3.15Å; S52-N109 PolarHBondContact N-O 2.75Å; S52-N109 PolarHBondContact O-N 2.96Å
53S79.9Confident68.5Low17 Ų1768.3 Ų68.312%0.11934%0.339CS..EExtended strand (participates in β ladder)trans-72.5145.7-179.2800000112.1Q55 A56S53-Q55 PolarHBondContact O-N 3.44Å; S53-A56 WeakPolarHBondContact OG-CB 3.04Å; S53-A56 PolarHBondContact OG-N 3.24Å
54N70.3Confident67.5Low19 Ų1961.9 Ų61.910%0.10231%0.309CS..THydrogen-bonded Turntrans-67.8-22171.6-69.6-15.2000111.9E57 N105 E106 E107 N109N54-E57 WeakPolarHBondContact O-CB 3.41Å; N54-N105 PolarHBondContact ND2-O 2.81Å; N54-E106 PolarHBondContact ND2-O 2.77Å; N54-E107 WeakPolarHBondContact CB-O 3.43Å; N54-E107 PolarHBondContact N-O 3.31Å; N54-N109 PolarHBondContact OD1-N 2.73Å; N54-N109 PolarHBondContact OD1-ND2 3.02Å
55Q61.4Low65.9Low149 Ų14963.3 Ų63.370%0.69633%0.326SS*.THydrogen-bonded Turntrans-80.2-38.8177.8-72.2179.6600112.9S53 E57 Q58 D59S53-Q55 PolarHBondContact O-N 3.44Å; Q55-E57 PolarHBondContact O-N 2.82Å; Q55-E57 VanDerWaalsContact O-N 3.11Å; Q55-Q58 WeakPolarHBondContact O-CB 3.28Å; Q55-Q58 PolarHBondContact O-N 2.84Å; Q55-D59 PolarHBondContact O-N 2.96Å
56A54.1Low63.6Low36 Ų3660.6 Ų60.630%0.29832%0.321SS..Hα-helixtrans-60.6-21.6172.100000111.7S53 Y60S53-A56 WeakPolarHBondContact OG-CB 3.04Å; S53-A56 PolarHBondContact OG-N 3.24Å; A56-Y60 WeakPolarHBondContact O-CB 3.16Å; A56-Y60 PolarHBondContact O-N 3.31Å
57E50.8Low60.9Low16 Ų1665.3 Ų65.38%0.07535%0.349CS..Hα-helixtrans-63.5-36.2170-156.3-178.1151.300112.8N54 Q55 L61 V76 N77 S78 N109N54-E57 WeakPolarHBondContact O-CB 3.41Å; Q55-E57 PolarHBondContact O-N 2.82Å; Q55-E57 VanDerWaalsContact O-N 3.11Å; E57-L61 PolarHBondContact O-N 2.91Å; E57-L61 VanDerWaalsContact O-N 3.16Å; E57-V76 VanDerWaalsContact OE1-C 3.22Å; E57-V76 VanDerWaalsContact OE1-O 3.12Å; E57-N77 VanDerWaalsContact CG-O 3.28Å; E57-N77 WeakPolarHBondContact CG-O 3.46Å; E57-N77 PolarHBondContact OE1-N 3.06Å; E57-S78 PolarHBondContact OE1-N 3.16Å; E57-N109 PolarHBondContact OE2-ND2 3.44Å
58Q47.3Very low58.1Low145 Ų14575 Ų7568%0.67839%0.391SS*.Hα-helixtrans-71.9-41.1177.6-69.2-173.81.400111.5Q55 Y60 L61 H62Q55-Q58 WeakPolarHBondContact O-CB 3.28Å; Q55-Q58 PolarHBondContact O-N 2.84Å; Q58-Y60 VanDerWaalsContact C-N 3.33Å; Q58-L61 WeakPolarHBondContact O-CB 3.45Å; Q58-L61 PolarHBondContact O-N 2.87Å; Q58-L61 VanDerWaalsContact O-N 3.09Å; Q58-H62 PolarHBondContact O-N 3.3Å
59D47Very low55.1Low114 Ų11484.4 Ų84.461%0.6143%0.43SS*.Hα-helixtrans-66-37.9176.1-66.7-22.1000111.3Q55 L61 H62 C63Q55-D59 PolarHBondContact O-N 2.96Å; D59-L61 VanDerWaalsContact C-N 3.27Å; D59-L61 PolarHBondContact O-N 3.02Å; D59-H62 WeakPolarHBondContact O-CB 3.15Å; D59-H62 PolarHBondContact O-N 3.01Å; D59-C63 PolarHBondContact O-N 3.24Å; D59-C63 VanDerWaalsContact O-N 3.11Å
60Y45.4Very low52.4Low64 Ų6491.2 Ų91.225%0.25147%0.465SS..Hα-helixtrans-60.7-35.4171.2-164.3-92.8000111.8F31 A56 Q58 H62 C63 F64F31-Y60 HydrophobicContact CE1-CD2 4.45Å; F31-Y60 HydrophobicContact CE1-CE2 4.17Å; A56-Y60 WeakPolarHBondContact O-CB 3.16Å; A56-Y60 PolarHBondContact O-N 3.31Å; Q58-Y60 VanDerWaalsContact C-N 3.33Å; Y60-H62 VanDerWaalsContact C-N 3.26Å; Y60-H62 PolarHBondContact O-N 2.89Å; Y60-C63 PolarHBondContact O-N 3.27Å; Y60-F64 AromaticContact CD1-CD2 3.89Å; Y60-F64 HydrophobicContact CD1-CD2 3.89Å; Y60-F64 HydrophobicContact CD1-CE2 4.19Å; Y60-F64 HydrophobicContact CD1-CG 4.47Å; Y60-F64 HydrophobicContact CD2-CD2 4.09Å; Y60-F64 AromaticContact CD2-CE2 3.67Å; Y60-F64 HydrophobicContact CD2-CE2 3.67Å; Y60-F64 AromaticContact CE1-CD2 3.75Å; Y60-F64 HydrophobicContact CE1-CD2 3.75Å; Y60-F64 AromaticContact CE1-CE2 3.82Å; Y60-F64 HydrophobicContact CE1-CE2 3.82Å; Y60-F64 HydrophobicContact CE1-CG 4.11Å; Y60-F64 HydrophobicContact CE1-CZ 4.22Å; Y60-F64 AromaticContact CE2-CD2 3.95Å; Y60-F64 HydrophobicContact CE2-CD2 3.95Å; Y60-F64 AromaticContact CE2-CE2 3.24Å; Y60-F64 HydrophobicContact CE2-CE2 3.24Å; Y60-F64 AromaticContact CE2-CZ 3.69Å; Y60-F64 HydrophobicContact CE2-CZ 3.69Å; Y60-F64 HydrophobicContact CG-CD2 4.06Å; Y60-F64 HydrophobicContact CG-CE2 4.13Å; Y60-F64 AromaticContact CZ-CD2 3.77Å; Y60-F64 AromaticContact CZ-CE2 3.32Å; Y60-F64 AromaticContact CZ-CZ 3.49Å; Y60-F64 VanDerWaalsContact CZ-CZ 3.49Å; Y60-F64 WeakPolarHBondContact O-CB 3.04Å; Y60-F64 WeakPolarHBondContact O-CD2 3.07Å; Y60-F64 PolarHBondContact O-N 2.85Å; Y60-F64 WeakPolarHBondContact OH-CZ 3.42Å
61L42Very low49.5Very low86 Ų8698.4 Ų98.445%0.4550%0.499SS..Hα-helixtrans-67.3-28.1175-146.675.9000112.3E57 Q58 D59 F64E57-L61 PolarHBondContact O-N 2.91Å; E57-L61 VanDerWaalsContact O-N 3.16Å; Q58-L61 WeakPolarHBondContact O-CB 3.45Å; Q58-L61 PolarHBondContact O-N 2.87Å; Q58-L61 VanDerWaalsContact O-N 3.09Å; D59-L61 VanDerWaalsContact C-N 3.27Å; D59-L61 PolarHBondContact O-N 3.02Å; L61-F64 CarbonylContact O-C 3.55Å
62H41.1Very low46.6Very low172 Ų172109.9 Ų109.980%0.79654%0.542SS*.Hα-helixtrans-78.7-31.2178.2-144.7-71.5000112.8Q58 D59 Y60 F64Q58-H62 PolarHBondContact O-N 3.3Å; D59-H62 WeakPolarHBondContact O-CB 3.15Å; D59-H62 PolarHBondContact O-N 3.01Å; Y60-H62 VanDerWaalsContact C-N 3.26Å; Y60-H62 PolarHBondContact O-N 2.89Å; H62-F64 VanDerWaalsContact C-N 3.3Å
63C42.2Very low44.1Very low96 Ų96114.6 Ų114.665%0.64957%0.57SS**Hα-helixtrans-79-10.4172.3-63.50000113.8D59 Y60D59-C63 PolarHBondContact O-N 3.24Å; D59-C63 VanDerWaalsContact O-N 3.11Å; Y60-C63 PolarHBondContact O-N 3.27Å
64F44.3Very low42.2Very low62 Ų62121 Ų12127%0.27260%0.604SS.*SBendtrans-136.983.9-176.3-66.5-101.3000111.1Y60 L61 H62 V66 R205Y60-F64 AromaticContact CD1-CD2 3.89Å; Y60-F64 HydrophobicContact CD1-CD2 3.89Å; Y60-F64 HydrophobicContact CD1-CE2 4.19Å; Y60-F64 HydrophobicContact CD1-CG 4.47Å; Y60-F64 HydrophobicContact CD2-CD2 4.09Å; Y60-F64 AromaticContact CD2-CE2 3.67Å; Y60-F64 HydrophobicContact CD2-CE2 3.67Å; Y60-F64 AromaticContact CE1-CD2 3.75Å; Y60-F64 HydrophobicContact CE1-CD2 3.75Å; Y60-F64 AromaticContact CE1-CE2 3.82Å; Y60-F64 HydrophobicContact CE1-CE2 3.82Å; Y60-F64 HydrophobicContact CE1-CG 4.11Å; Y60-F64 HydrophobicContact CE1-CZ 4.22Å; Y60-F64 AromaticContact CE2-CD2 3.95Å; Y60-F64 HydrophobicContact CE2-CD2 3.95Å; Y60-F64 AromaticContact CE2-CE2 3.24Å; Y60-F64 HydrophobicContact CE2-CE2 3.24Å; Y60-F64 AromaticContact CE2-CZ 3.69Å; Y60-F64 HydrophobicContact CE2-CZ 3.69Å; Y60-F64 HydrophobicContact CG-CD2 4.06Å; Y60-F64 HydrophobicContact CG-CE2 4.13Å; Y60-F64 AromaticContact CZ-CD2 3.77Å; Y60-F64 AromaticContact CZ-CE2 3.32Å; Y60-F64 AromaticContact CZ-CZ 3.49Å; Y60-F64 VanDerWaalsContact CZ-CZ 3.49Å; Y60-F64 WeakPolarHBondContact O-CB 3.04Å; Y60-F64 WeakPolarHBondContact O-CD2 3.07Å; Y60-F64 PolarHBondContact O-N 2.85Å; Y60-F64 WeakPolarHBondContact OH-CZ 3.42Å; L61-F64 CarbonylContact O-C 3.55Å; H62-F64 VanDerWaalsContact C-N 3.3Å; F64-V66 PolarHBondContact O-N 3.34Å; F64-R205 VanDerWaalsContact CZ-NH2 3.32Å
65P33.3Very low40.6Very low121 Ų121126.3 Ų126.379%0.78663%0.63SS**  trans-6796.8175.426.1-31.8000110.1
66V34.9Very low39.4Very low88 Ų88122.7 Ų122.753%0.53362%0.619SS.*  trans-73.6129.2162.6179.30000107.1F64 K68F64-V66 PolarHBondContact O-N 3.34Å; V66-K68 PolarHBondContact O-N 3.27Å
67N35Very low38.9Very low151 Ų151124.6 Ų124.681%0.80762%0.624SS**  trans-44.8117.5176.9-80.5-27.3000110.9K69N67-K69 PolarHBondContact O-N 2.93Å
68K35.5Very low39Very low207 Ų207124.7 Ų124.790%0.963%0.626SS**SBendtrans-53.5101.4175-81.2177.8173.6174.60110V66V66-K68 PolarHBondContact O-N 3.27Å
69K32.3Very low39.7Very low205 Ų205118.6 Ų118.689%0.89160%0.599SS**  trans158.562.3149.5-90.5175.4177-1760110.5N67N67-K69 PolarHBondContact O-N 2.93Å
70I35.7Very low41.2Very low144 Ų144113.3 Ų113.374%0.73857%0.571SS**  trans-118.4124.3160.2-60.1178000106.5
71E30.7Very low43Very low171 Ų171113.1 Ų113.180%0.79957%0.571SS**  trans-51.8137-178-65.1175.7165.700110.9T73E71-T73 PolarHBondContact O-N 3.08Å
72R30.6Very low45.1Very low243 Ų243111.8 Ų111.892%0.91756%0.563SS**  trans-65.669179.1-65.5173.6174.9144.5-5.3110.7
73T33.1Very low47.5Very low100 Ų100103.7 Ų103.761%0.61353%0.526SS*.  trans-72.1130.6154.847.10000106.2E71 I75E71-T73 PolarHBondContact O-N 3.08Å; T73-I75 PolarHBondContact O-N 3.49Å
74N39.5Very low49.7Very low153 Ų153100.1 Ų100.182%0.81850%0.501SS*.SBendtrans-59.915.5-170.7-79-26.4000116.1
75I36.9Very low51.9Low129 Ų129100.4 Ų100.466%0.66251%0.505SS*.  trans-104.362.9172.8-53.2171000105.9T73 K81T73-I75 PolarHBondContact O-N 3.49Å; I75-K81 HydrophobicContact CG2-CD 4.43Å; I75-K81 VanDerWaalsContact CG2-CE 3.43Å; I75-K81 PolarHBondContact O-NZ 3.17Å
76V36.2Very low54.8Low74 Ų7494.6 Ų94.645%0.44847%0.468SS..  trans-73.6148.6168.7-150.50000108.7E57 S78 K81E57-V76 VanDerWaalsContact OE1-C 3.22Å; E57-V76 VanDerWaalsContact OE1-O 3.12Å; V76-S78 PolarHBondContact O-N 3.35Å; V76-K81 WeakPolarHBondContact O-CE 3.4Å; V76-K81 PolarHBondContact O-NZ 3.38Å
77N44Very low57.6Low75 Ų7590.5 Ų90.540%0.40144%0.443SS..  trans-57.971.4-157.8-62.6-41.6000117.6E57 V79 K81E57-N77 VanDerWaalsContact CG-O 3.28Å; E57-N77 WeakPolarHBondContact CG-O 3.46Å; E57-N77 PolarHBondContact OE1-N 3.06Å; N77-V79 PolarHBondContact O-N 3.5Å; N77-K81 VanDerWaalsContact CA-NZ 3.35Å
78S51.6Low60.3Low18 Ų1886.7 Ų86.713%0.12642%0.422CS..  trans-53.1130.2168.61540000111.9E57 V76 L80 K81 N109E57-S78 PolarHBondContact OE1-N 3.16Å; V76-S78 PolarHBondContact O-N 3.35Å; S78-L80 PolarHBondContact O-N 2.88Å; S78-L80 VanDerWaalsContact O-N 3.15Å; S78-L80 PolarHBondContact OG-N 2.84Å; S78-K81 VanDerWaalsContact N-CE 3.32Å; S78-K81 VanDerWaalsContact O-CB 3.24Å; S78-K81 WeakPolarHBondContact O-CB 3.46Å; S78-K81 VanDerWaalsContact O-CG 3.29Å; S78-K81 WeakPolarHBondContact O-CG 3.33Å; S78-K81 PolarHBondContact O-N 3Å; S78-N109 PolarHBondContact OG-OD1 2.77Å
79V62Low63Low17 Ų1782.9 Ų82.910%0.10341%0.406CS..THydrogen-bonded Turntrans-54.6-30.8178.2179.10000111.3F31 N77F31-V79 HydrophobicContact CB-CG1 3.99Å; F31-V79 HydrophobicContact CD1-CG1 4.17Å; F31-V79 HydrophobicContact CG-CG1 4.4Å; N77-V79 PolarHBondContact O-N 3.5Å
80L79.4Confident65.9Low4 Ų473.1 Ų73.12%0.02136%0.363CS..THydrogen-bonded Turntrans-87.6-0.8179.1-59.8-179.1000114.4K50 S78 M82 D83 T84 N109 L111K50-L80 HydrophobicContact CD-CD2 3.84Å; K50-L80 HydrophobicContact CG-CD2 3.85Å; K50-L80 WeakPolarHBondContact O-CD1 3.46Å; S78-L80 PolarHBondContact O-N 2.88Å; S78-L80 VanDerWaalsContact O-N 3.15Å; S78-L80 PolarHBondContact OG-N 2.84Å; L80-M82 VanDerWaalsContact C-N 3.29Å; L80-M82 PolarHBondContact O-N 3.29Å; L80-D83 PolarHBondContact O-N 2.92Å; L80-T84 WeakPolarHBondContact O-CB 3.49Å; L80-T84 PolarHBondContact O-N 3.43Å; L80-T84 PolarHBondContact O-OG1 3.38Å; L80-N109 HydrophobicContact CD1-CB 4Å; L80-N109 WeakPolarHBondContact CD1-O 3.31Å; L80-N109 HydrophobicContact CG-CB 4.45Å; L80-L111 HydrophobicContact CD1-CB 4.16Å
81K82Confident68.5Low60 Ų6074.2 Ų74.226%0.26136%0.358SS..Hα-helixtrans-62.4-39.1177.2-75.5179.1-178.2179.10112.2I75 V76 N77 S78 T84 N85I75-K81 HydrophobicContact CG2-CD 4.43Å; I75-K81 VanDerWaalsContact CG2-CE 3.43Å; I75-K81 PolarHBondContact O-NZ 3.17Å; V76-K81 WeakPolarHBondContact O-CE 3.4Å; V76-K81 PolarHBondContact O-NZ 3.38Å; N77-K81 VanDerWaalsContact CA-NZ 3.35Å; S78-K81 VanDerWaalsContact N-CE 3.32Å; S78-K81 VanDerWaalsContact O-CB 3.24Å; S78-K81 WeakPolarHBondContact O-CB 3.46Å; S78-K81 VanDerWaalsContact O-CG 3.29Å; S78-K81 WeakPolarHBondContact O-CG 3.33Å; S78-K81 PolarHBondContact O-N 3Å; K81-T84 PolarHBondContact O-N 3.14Å; K81-N85 WeakPolarHBondContact O-CB 3.38Å; K81-N85 PolarHBondContact O-N 2.96Å
82M87.3Confident71.4Confident58 Ų5871.2 Ų71.229%0.28636%0.356SS..Hα-helixtrans-67.2-48.6-179.1-168.263.77100110L80 T84 N85 V86 F156 F182 A185L80-M82 VanDerWaalsContact C-N 3.29Å; L80-M82 PolarHBondContact O-N 3.29Å; M82-T84 VanDerWaalsContact C-N 3.32Å; M82-T84 PolarHBondContact O-N 2.9Å; M82-N85 PolarHBondContact O-N 2.7Å; M82-V86 HydrophobicContact CG-CG2 4.41Å; M82-V86 WeakPolarHBondContact O-CG2 2.9Å; M82-V86 PolarHBondContact O-N 3.47Å; M82-V86 HydrophobicContact SD-CG2 4.33Å; M82-F156 HydrophobicContact SD-CD1 4.12Å; M82-F156 HydrophobicContact SD-CE1 3.98Å; M82-F182 VanDerWaalsContact CG-O 3.23Å; M82-F182 WeakPolarHBondContact CG-O 3.01Å; M82-A185 WeakPolarHBondContact CE-O 3.37Å; M82-A185 HydrophobicContact CG-CB 3.78Å; M82-A185 HydrophobicContact SD-CB 4.41Å
83D90.2Very high74.5Confident1 Ų163.2 Ų63.21%0.00533%0.328CS..Hα-helixtrans-50.1-52.1171.2-66.1-103000112.1K50 L80 N85 V86 L87 L111 F182 G183K50-D83 IonicContact NZ-OD1 3.67Å; K50-D83 PolarHBondContact NZ-OD1 2.75Å; K50-D83 IonicContact NZ-OD2 3.68Å; L80-D83 PolarHBondContact O-N 2.92Å; D83-N85 PolarHBondContact O-N 2.66Å; D83-V86 PolarHBondContact O-N 2.57Å; D83-L87 VanDerWaalsContact O-CB 3.28Å; D83-L87 WeakPolarHBondContact O-CB 3.14Å; D83-L87 VanDerWaalsContact O-CG 3.25Å; D83-L87 WeakPolarHBondContact O-CG 3.02Å; D83-L87 PolarHBondContact O-N 3.42Å; D83-L111 HydrophobicContact CB-CD2 3.55Å; D83-F182 PolarHBondContact OD1-N 3.02Å; D83-G183 PolarHBondContact OD1-N 3.19Å; D83-G183 VanDerWaalsContact OD2-CA 3.23Å; D83-G183 WeakPolarHBondContact OD2-CA 3.38Å; D83-G183 PolarHBondContact OD2-N 2.97Å
84T89.5Confident77.5Confident22 Ų2263.5 Ų63.514%0.13532%0.32CS..Hα-helixtrans-62.2-46-178.4-570000111.7L80 K81 M82 L87 L88 F99 C102L80-T84 WeakPolarHBondContact O-CB 3.49Å; L80-T84 PolarHBondContact O-N 3.43Å; L80-T84 PolarHBondContact O-OG1 3.38Å; K81-T84 PolarHBondContact O-N 3.14Å; M82-T84 VanDerWaalsContact C-N 3.32Å; M82-T84 PolarHBondContact O-N 2.9Å; T84-L87 PolarHBondContact O-N 2.75Å; T84-L88 HydrophobicContact CG2-CD1 3.87Å; T84-L88 HydrophobicContact CG2-CG 4.36Å; T84-L88 WeakPolarHBondContact O-CB 3.35Å; T84-L88 WeakPolarHBondContact O-CG 3.48Å; T84-L88 PolarHBondContact O-N 3.23Å; T84-F99 HydrophobicContact CG2-CE2 4.03Å; T84-C102 HydrophobicContact CG2-CB 4.33Å
85N90.9Very high80.3Confident67 Ų6756.4 Ų56.436%0.35828%0.282SS..Hα-helixtrans-64.3-45.2-178.3-171.816000111.8K81 M82 D83 K89K81-N85 WeakPolarHBondContact O-CB 3.38Å; K81-N85 PolarHBondContact O-N 2.96Å; M82-N85 PolarHBondContact O-N 2.7Å; D83-N85 PolarHBondContact O-N 2.66Å; N85-K89 WeakPolarHBondContact O-CG 3.49Å; N85-K89 PolarHBondContact O-N 3.37Å; N85-K89 VanDerWaalsContact O-N 3.16Å
86V93.3Very high83.2Confident0 Ų050.6 Ų50.60%025%0.252CS..Hα-helixtrans-63.7-52.7177.1176.80000109.8M82 D83 L88 K89 V90 F156 F182 A185M82-V86 HydrophobicContact CG-CG2 4.41Å; M82-V86 WeakPolarHBondContact O-CG2 2.9Å; M82-V86 PolarHBondContact O-N 3.47Å; M82-V86 HydrophobicContact SD-CG2 4.33Å; D83-V86 PolarHBondContact O-N 2.57Å; V86-L88 VanDerWaalsContact C-N 3.28Å; V86-L88 PolarHBondContact O-N 3.36Å; V86-K89 WeakPolarHBondContact O-CA 2.98Å; V86-K89 WeakPolarHBondContact O-CB 3.5Å; V86-K89 PolarHBondContact O-N 2.66Å; V86-V90 HydrophobicContact CG1-CG2 4.01Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 3.3Å; V86-F156 HydrophobicContact CG2-CB 4.29Å; V86-F156 HydrophobicContact CG2-CD1 3.58Å; V86-F156 HydrophobicContact CG2-CD2 4.26Å; V86-F156 HydrophobicContact CG2-CE1 3.88Å; V86-F156 HydrophobicContact CG2-CG 3.79Å; V86-F156 HydrophobicContact CG2-CZ 4.36Å; V86-F182 HydrophobicContact CB-CB 3.99Å; V86-F182 HydrophobicContact CB-CD1 4.34Å; V86-F182 HydrophobicContact CB-CD2 4.29Å; V86-F182 HydrophobicContact CB-CG 3.94Å; V86-F182 HydrophobicContact CG1-CB 4.17Å; V86-F182 HydrophobicContact CG1-CD1 3.58Å; V86-F182 HydrophobicContact CG1-CD2 4.02Å; V86-F182 HydrophobicContact CG1-CE1 3.92Å; V86-F182 HydrophobicContact CG1-CE2 4.35Å; V86-F182 HydrophobicContact CG1-CG 3.64Å; V86-F182 HydrophobicContact CG1-CZ 4.31Å; V86-F182 HydrophobicContact CG2-CB 4.12Å; V86-F182 HydrophobicContact CG2-CG 4.48Å; V86-A185 HydrophobicContact CG2-CB 4.01Å
87L93.2Very high85.9Confident2 Ų247.2 Ų47.21%0.0123%0.232CC..Hα-helixtrans-56.4-40.7179.9-75.7176.1000112.8D83 T84 K89 V90 R91 I96 F99 L111 M113 F182D83-L87 VanDerWaalsContact O-CB 3.28Å; D83-L87 WeakPolarHBondContact O-CB 3.14Å; D83-L87 VanDerWaalsContact O-CG 3.25Å; D83-L87 WeakPolarHBondContact O-CG 3.02Å; D83-L87 PolarHBondContact O-N 3.42Å; T84-L87 PolarHBondContact O-N 2.75Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.4Å; L87-V90 CarbonylContact O-C 3.56Å; L87-V90 PolarHBondContact O-N 3.08Å; L87-R91 VanDerWaalsContact O-CA 3.26Å; L87-R91 WeakPolarHBondContact O-CA 3.34Å; L87-R91 VanDerWaalsContact O-CB 3.29Å; L87-R91 WeakPolarHBondContact O-CB 3.2Å; L87-R91 PolarHBondContact O-N 3.19Å; L87-I96 HydrophobicContact CD2-CG2 3.54Å; L87-F99 HydrophobicContact CB-CB 4.42Å; L87-F99 HydrophobicContact CB-CD2 4.43Å; L87-L111 HydrophobicContact CD1-CD1 4.14Å; L87-L111 HydrophobicContact CD1-CD2 3.73Å; L87-L111 HydrophobicContact CD1-CG 4.34Å; L87-M113 HydrophobicContact CD1-CE 3.95Å; L87-M113 HydrophobicContact CD1-SD 4.49Å; L87-F182 HydrophobicContact CD2-CD2 4.16Å; L87-F182 HydrophobicContact CD2-CE2 3.6Å; L87-F182 HydrophobicContact CG-CD2 4.11Å; L87-F182 HydrophobicContact CG-CE2 4.06Å
88L92.2Very high88.2Confident70 Ų7048.7 Ų48.737%0.36623%0.232SC..Hα-helixtrans-65.2-36.3176.6-73.7173.6000112.5T84 V86 F99T84-L88 HydrophobicContact CG2-CD1 3.87Å; T84-L88 HydrophobicContact CG2-CG 4.36Å; T84-L88 WeakPolarHBondContact O-CB 3.35Å; T84-L88 WeakPolarHBondContact O-CG 3.48Å; T84-L88 PolarHBondContact O-N 3.23Å; V86-L88 VanDerWaalsContact C-N 3.28Å; V86-L88 PolarHBondContact O-N 3.36Å; L88-F99 HydrophobicContact CD2-CD1 3.79Å; L88-F99 HydrophobicContact CD2-CD2 4.28Å; L88-F99 HydrophobicContact CD2-CE1 3.9Å; L88-F99 HydrophobicContact CD2-CE2 4.38Å; L88-F99 HydrophobicContact CD2-CG 3.99Å; L88-F99 HydrophobicContact CD2-CZ 4.2Å
89K92.7Very high90.1Very high128 Ų12849.9 Ų49.956%0.55724%0.235SC*.Hα-helixtrans-73-31.6177.7-76.1-80.6-177.8178.30113.2N85 V86 L87 A154 F156N85-K89 WeakPolarHBondContact O-CG 3.49Å; N85-K89 PolarHBondContact O-N 3.37Å; N85-K89 VanDerWaalsContact O-N 3.16Å; V86-K89 WeakPolarHBondContact O-CA 2.98Å; V86-K89 WeakPolarHBondContact O-CB 3.5Å; V86-K89 PolarHBondContact O-N 2.66Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.4Å; K89-A154 HydrophobicContact CB-CB 4.24Å; K89-F156 HydrophobicContact CB-CE2 4.36Å; K89-F156 HydrophobicContact CG-CE2 4.08Å
90V93.8Very high91.5Very high0 Ų050.2 Ų50.20%024%0.236CC..SBendtrans-112.419.2-178.3-660000114.2V86 L87 S92 K93 I96 D150 A154V86-V90 HydrophobicContact CG1-CG2 4.01Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 3.3Å; L87-V90 CarbonylContact O-C 3.56Å; L87-V90 PolarHBondContact O-N 3.08Å; V90-S92 PolarHBondContact O-N 3.08Å; V90-K93 HydrophobicContact CB-CB 4.38Å; V90-K93 HydrophobicContact CB-CG 3.82Å; V90-K93 HydrophobicContact CG1-CG 4.27Å; V90-K93 VanDerWaalsContact O-CB 3.26Å; V90-K93 WeakPolarHBondContact O-CB 3.02Å; V90-K93 VanDerWaalsContact O-CG 3.29Å; V90-K93 WeakPolarHBondContact O-CG 3.32Å; V90-K93 PolarHBondContact O-N 3.35Å; V90-I96 HydrophobicContact CB-CG1 4.07Å; V90-I96 HydrophobicContact CG2-CB 4.34Å; V90-I96 HydrophobicContact CG2-CD1 4.05Å; V90-I96 HydrophobicContact CG2-CG1 3.83Å; V90-I96 HydrophobicContact CG2-CG2 3.78Å; V90-D150 WeakPolarHBondContact CG1-O 3.3Å; V90-A154 HydrophobicContact CG1-CB 3.44Å; V90-A154 VanDerWaalsContact CG1-CB 3.44Å
91R90.2Very high91.9Very high167 Ų16751.4 Ų51.463%0.6325%0.247SC*.THydrogen-bonded Turntrans-58.8-22.2-173.466.2-174.3-179.3-164.5-0.3116.6L87L87-R91 VanDerWaalsContact O-CA 3.26Å; L87-R91 WeakPolarHBondContact O-CA 3.34Å; L87-R91 VanDerWaalsContact O-CB 3.29Å; L87-R91 WeakPolarHBondContact O-CB 3.2Å; L87-R91 PolarHBondContact O-N 3.19Å
92S90.2Very high92.3Very high108 Ų10851.4 Ų51.476%0.75525%0.253SS*.THydrogen-bonded Turntrans-984.7-179.657.80000113.3V90V90-S92 PolarHBondContact O-N 3.08Å
93K96.8Very high92.3Very high74 Ų7449.9 Ų49.932%0.32225%0.252SS..  trans-86.7138.6-173.6-60.1-56.2-165147.10111.5V90 H95 I96 D150V90-K93 HydrophobicContact CB-CB 4.38Å; V90-K93 HydrophobicContact CB-CG 3.82Å; V90-K93 HydrophobicContact CG1-CG 4.27Å; V90-K93 VanDerWaalsContact O-CB 3.26Å; V90-K93 WeakPolarHBondContact O-CB 3.02Å; V90-K93 VanDerWaalsContact O-CG 3.29Å; V90-K93 WeakPolarHBondContact O-CG 3.32Å; V90-K93 PolarHBondContact O-N 3.35Å; K93-H95 PolarHBondContact O-N 3.08Å; K93-I96 HydrophobicContact CB-CB 4.3Å; K93-I96 HydrophobicContact CB-CG1 3.78Å; K93-I96 PolarHBondContact O-N 2.87Å; K93-D150 HydrophobicContact CB-CB 4.27Å; K93-D150 WeakPolarHBondContact CB-OD2 3.48Å; K93-D150 HydrophobicContact CD-CB 4.24Å; K93-D150 WeakPolarHBondContact CD-OD1 3.48Å; K93-D150 VanDerWaalsContact CE-OD1 3.29Å; K93-D150 WeakPolarHBondContact CE-OD1 3.1Å; K93-D150 HydrophobicContact CG-CB 3.98Å; K93-D150 IonicContact NZ-OD1 3.86Å; K93-D150 PolarHBondContact NZ-OD1 3.46Å
94K96.4Very high92Very high107 Ų10756.1 Ų56.147%0.46528%0.276SS..THydrogen-bonded Turntrans-55.7-39.5-176.5176.3-177168.9-159.70112.1I96 V176 K178K94-I96 VanDerWaalsContact C-N 3.35Å; K94-I96 PolarHBondContact O-N 2.92Å; K94-V176 HydrophobicContact CD-CG1 4.45Å; K94-V176 HydrophobicContact CG-CG1 3.75Å; K94-K178 PolarHBondContact O-NZ 3.03Å
95H97.9Very high91.7Very high4 Ų457.4 Ų57.42%0.01928%0.282CS..THydrogen-bonded Turntrans-94.919.8-172.8-60.2-74.5000114.1K93 Q143 E146 A147 L177 K178 L179K93-H95 PolarHBondContact O-N 3.08Å; H95-Q143 PolarHBondContact CE1-OE1 3.22Å; H95-E146 IonicContact CE1-OE2 3.3Å; H95-E146 IonicContact NE2-OE2 3.14Å; H95-E146 PolarHBondContact NE2-OE2 3.32Å; H95-A147 HydrophobicContact CB-CB 3.47Å; H95-A147 VanDerWaalsContact CB-CB 3.47Å; H95-L177 VanDerWaalsContact CA-O 3.3Å; H95-L177 WeakPolarHBondContact CA-O 3.38Å; H95-L177 WeakPolarHBondContact CB-O 3.47Å; H95-L177 PolarHBondContact ND1-O 2.89Å; H95-K178 CarbonylContact O-C 3.48Å; H95-K178 WeakPolarHBondContact O-CA 3.34Å; H95-L179 PolarHBondContact O-N 3.2Å
96I96.9Very high91.1Very high6 Ų663.2 Ų63.23%0.03131%0.307CS..BIsolated β-bridgetrans-125.6140.8-176.7-55.6-66.9000109.5L87 V90 K93 K94 V151 L179 F182L87-I96 HydrophobicContact CD2-CG2 3.54Å; V90-I96 HydrophobicContact CB-CG1 4.07Å; V90-I96 HydrophobicContact CG2-CB 4.34Å; V90-I96 HydrophobicContact CG2-CD1 4.05Å; V90-I96 HydrophobicContact CG2-CG1 3.83Å; V90-I96 HydrophobicContact CG2-CG2 3.78Å; K93-I96 HydrophobicContact CB-CB 4.3Å; K93-I96 HydrophobicContact CB-CG1 3.78Å; K93-I96 PolarHBondContact O-N 2.87Å; K94-I96 VanDerWaalsContact C-N 3.35Å; K94-I96 PolarHBondContact O-N 2.92Å; I96-V151 HydrophobicContact CD1-CG2 4.21Å; I96-L179 HydrophobicContact CD1-CB 4.23Å; I96-F182 HydrophobicContact CD1-CE1 4.39Å; I96-F182 HydrophobicContact CD1-CZ 3.75Å
97C94.1Very high90.6Very high4 Ų470 Ų703%0.02734%0.339CS..PPolyproline II helixtrans-66.3136.7172.4-730000110.7F99 M113 S114 L180C97-F99 PolarHBondContact O-N 2.71Å; C97-M113 HydrophobicContact CB-CB 4.28Å; C97-M113 HydrophobicContact CB-CG 4.3Å; C97-M113 HydrophobicContact CB-SD 4.17Å; C97-S114 WeakPolarHBondContact CA-OG 3.47Å; C97-S114 WeakPolarHBondContact CB-OG 3.43Å; C97-L180 VanDerWaalsContact SG-CD2 3.5Å
98R91.6Very high90.2Very high105 Ų10570.1 Ų70.140%0.39634%0.339SS..PPolyproline II helixtrans-69125.1-178.9-179.1166.356.583.12.9109.7E44 I100 M113 S114E44-R98 IonicContact OE1-NH2 3.58Å; E44-R98 PolarHBondContact OE1-NH2 3.33Å; E44-R98 IonicContact OE2-CZ 3.84Å; E44-R98 IonicContact OE2-NH2 3.68Å; E44-R98 PolarHBondContact OE2-NH2 2.99Å; R98-I100 HydrophobicContact CG-CD1 4.32Å; R98-M113 CarbonylContact O-C 3.53Å; R98-M113 VanDerWaalsContact O-CA 3.26Å; R98-M113 WeakPolarHBondContact O-CA 3.44Å; R98-S114 PolarHBondContact N-OG 2.7Å; R98-S114 PolarHBondContact O-N 3.27Å
99F91.8Very high90Very high44 Ų4467.2 Ų67.219%0.19332%0.324CS..EExtended strand (participates in β ladder)trans-63.5134170.2176.7-89.5000110.6T84 L87 L88 C97 C102 L111T84-F99 HydrophobicContact CG2-CE2 4.03Å; L87-F99 HydrophobicContact CB-CB 4.42Å; L87-F99 HydrophobicContact CB-CD2 4.43Å; L88-F99 HydrophobicContact CD2-CD1 3.79Å; L88-F99 HydrophobicContact CD2-CD2 4.28Å; L88-F99 HydrophobicContact CD2-CE1 3.9Å; L88-F99 HydrophobicContact CD2-CE2 4.38Å; L88-F99 HydrophobicContact CD2-CG 3.99Å; L88-F99 HydrophobicContact CD2-CZ 4.2Å; C97-F99 PolarHBondContact O-N 2.71Å; F99-C102 HydrophobicContact CE2-CB 3.98Å; F99-C102 HydrophobicContact CZ-CB 4.09Å; F99-L111 HydrophobicContact CD2-CD1 3.73Å; F99-L111 HydrophobicContact CE2-CD1 3.57Å
100I90.3Very high89.8Confident24 Ų2462.5 Ų62.512%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-113.7-57177.9-50.6-61.5000110.9W20 Y47 R98 I112W20-I100 HydrophobicContact CH2-CG2 3.95Å; W20-I100 HydrophobicContact CZ2-CG2 4.33Å; Y47-I100 HydrophobicContact CD1-CD1 4.01Å; Y47-I100 HydrophobicContact CD1-CG1 3.64Å; Y47-I100 HydrophobicContact CE1-CD1 3.52Å; Y47-I100 HydrophobicContact CE1-CG1 3.65Å; Y47-I100 HydrophobicContact CE1-CG2 4.46Å; R98-I100 HydrophobicContact CG-CD1 4.32Å; I100-I112 HydrophobicContact CB-CB 4.3Å; I100-I112 HydrophobicContact CB-CG2 3.95Å; I100-I112 WeakPolarHBondContact CB-O 3.36Å; I100-I112 HydrophobicContact CG1-CG2 4.31Å; I100-I112 HydrophobicContact CG2-CG2 4.24Å; I100-I112 PolarHBondContact N-O 2.69Å
101A89.1Confident89.7Confident29 Ų2962.5 Ų62.524%0.2430%0.303CS..EExtended strand (participates in β ladder)trans-158.7159.2-176.800000110.6I112A101-I112 HydrophobicContact CB-CB 4.38Å; A101-I112 PolarHBondContact N-O 2.9Å; A101-I112 PolarHBondContact O-N 3.42Å
102C90Very high89.8Confident59 Ų5954.5 Ų54.540%0.39927%0.273SS..EExtended strand (participates in β ladder)trans-144.6157.7167.463.50000109.1T84 F99 Y110 L111T84-C102 HydrophobicContact CG2-CB 4.33Å; F99-C102 HydrophobicContact CE2-CB 3.98Å; F99-C102 HydrophobicContact CZ-CB 4.09Å; C102-Y110 VanDerWaalsContact CA-O 3.29Å; C102-Y110 WeakPolarHBondContact CA-O 3.44Å; C102-L111 HydrophobicContact CB-CD1 4.13Å
103G87.8Confident90Very high26 Ų2650.5 Ų50.527%0.26824%0.243SC..EExtended strand (participates in β ladder)trans-171.6-175.2175.900000112.7Y110G103-Y110 VanDerWaalsContact CA-CE1 3.49Å; G103-Y110 PolarHBondContact N-O 2.85Å; G103-Y110 WeakPolarHBondContact O-CD1 3.45Å; G103-Y110 PolarHBondContact O-N 3.32Å
104R84.3Confident89.8Confident132 Ų13248.3 Ų48.350%0.49824%0.237SC..EExtended strand (participates in β ladder)trans-142.4136.5179.7178.9178.2179.2174.34.6109I108 N109R104-I108 WeakPolarHBondContact CA-O 3.45Å; R104-N109 WeakPolarHBondContact CD-OD1 3.08Å; R104-N109 WeakPolarHBondContact CG-OD1 3.32Å
105N82.5Confident89.7Confident50 Ų5044 Ų4427%0.26722%0.219SC..  trans-114.9-173.3162.666.86.9000109.8N54 E107 I108N54-N105 PolarHBondContact ND2-O 2.81Å; N105-E107 PolarHBondContact O-N 3.44Å; N105-E107 PolarHBondContact OD1-N 2.74Å; N105-I108 PolarHBondContact N-O 3.29Å; N105-I108 WeakPolarHBondContact OD1-CA 3.38Å; N105-I108 WeakPolarHBondContact OD1-CG1 3.35Å; N105-I108 PolarHBondContact OD1-N 3.3Å; N105-I108 PolarHBondContact OD1-O 2.8Å
106E79.1Confident89.6Confident189 Ų18944.5 Ų44.588%0.88322%0.223SC*.SBendtrans-59.1-29.4-177-63.1-175.217200113N54N54-E106 PolarHBondContact ND2-O 2.77Å
107E81.3Confident89.5Confident142 Ų14244.6 Ų44.666%0.66423%0.226SC*.SBendtrans-106.4-35.3-171.8-62.8178.3165.900113.5N54 N105N54-E107 WeakPolarHBondContact CB-O 3.43Å; N54-E107 PolarHBondContact N-O 3.31Å; N105-E107 PolarHBondContact O-N 3.44Å; N105-E107 PolarHBondContact OD1-N 2.74Å
108I85.7Confident89.5Confident5 Ų545.4 Ų45.43%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-137.7146.7-169.268.5161.4000114.4L8 L10 F16 S52 R104 N105L8-I108 HydrophobicContact CD2-CG2 3.43Å; L8-I108 VanDerWaalsContact CD2-CG2 3.43Å; L10-I108 HydrophobicContact CD1-CD1 4.23Å; L10-I108 HydrophobicContact CD2-CD1 4.09Å; F16-I108 HydrophobicContact CE2-CD1 3.57Å; F16-I108 HydrophobicContact CE2-CG1 4.16Å; F16-I108 HydrophobicContact CZ-CD1 3.53Å; F16-I108 HydrophobicContact CZ-CG1 4.09Å; S52-I108 CarbonylContact O-C 3.43Å; S52-I108 WeakPolarHBondContact O-CA 3.15Å; R104-I108 WeakPolarHBondContact CA-O 3.45Å; N105-I108 PolarHBondContact N-O 3.29Å; N105-I108 WeakPolarHBondContact OD1-CA 3.38Å; N105-I108 WeakPolarHBondContact OD1-CG1 3.35Å; N105-I108 PolarHBondContact OD1-N 3.3Å; N105-I108 PolarHBondContact OD1-O 2.8Å
109N87.2Confident89.8Confident8 Ų842 Ų424%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-90.9141.2158.9-65.9-71.2000108.5S51 S52 N54 E57 S78 L80 R104S51-N109 CarbonylContact C-O 3.51Å; S51-N109 VanDerWaalsContact CA-O 3.31Å; S51-N109 WeakPolarHBondContact CA-O 3.34Å; S52-N109 PolarHBondContact N-O 2.75Å; S52-N109 PolarHBondContact O-N 2.96Å; N54-N109 PolarHBondContact OD1-N 2.73Å; N54-N109 PolarHBondContact OD1-ND2 3.02Å; E57-N109 PolarHBondContact OE2-ND2 3.44Å; S78-N109 PolarHBondContact OG-OD1 2.77Å; L80-N109 HydrophobicContact CD1-CB 4Å; L80-N109 WeakPolarHBondContact CD1-O 3.31Å; L80-N109 HydrophobicContact CG-CB 4.45Å; R104-N109 WeakPolarHBondContact CD-OD1 3.08Å; R104-N109 WeakPolarHBondContact CG-OD1 3.32Å
110Y89.9Confident90Very high29 Ų2939.9 Ų39.911%0.11421%0.211CC..EExtended strand (participates in β ladder)trans-137.8151.2178.270.5-90.1000113.2F16 Q17 K50 C102 G103 I112F16-Y110 AromaticContact CE1-CD1 3.68Å; F16-Y110 HydrophobicContact CE1-CD1 3.68Å; F16-Y110 AromaticContact CE1-CD2 3.95Å; F16-Y110 HydrophobicContact CE1-CD2 3.95Å; F16-Y110 HydrophobicContact CE1-CE1 4.01Å; F16-Y110 HydrophobicContact CE1-CE2 4.28Å; F16-Y110 AromaticContact CE1-CG 3.63Å; F16-Y110 HydrophobicContact CE1-CG 3.63Å; F16-Y110 AromaticContact CZ-CD1 3.59Å; F16-Y110 HydrophobicContact CZ-CD1 3.59Å; F16-Y110 HydrophobicContact CZ-CE1 4.06Å; F16-Y110 AromaticContact CZ-CG 3.93Å; F16-Y110 HydrophobicContact CZ-CG 3.93Å; Q17-Y110 HydrophobicContact CG-CE1 3.8Å; K50-Y110 CarbonylContact O-C 3.59Å; K50-Y110 VanDerWaalsContact O-CA 3.31Å; K50-Y110 WeakPolarHBondContact O-CA 3.36Å; C102-Y110 VanDerWaalsContact CA-O 3.29Å; C102-Y110 WeakPolarHBondContact CA-O 3.44Å; G103-Y110 VanDerWaalsContact CA-CE1 3.49Å; G103-Y110 PolarHBondContact N-O 2.85Å; G103-Y110 WeakPolarHBondContact O-CD1 3.45Å; G103-Y110 PolarHBondContact O-N 3.32Å; Y110-I112 HydrophobicContact CD2-CD1 4.16Å; Y110-I112 HydrophobicContact CD2-CG1 4.06Å; Y110-I112 HydrophobicContact CE2-CD1 4.14Å; Y110-I112 HydrophobicContact CE2-CG1 4.44Å
111L91.6Very high90.3Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-136.6128.3177.4170.165.5000109L49 K50 L80 D83 L87 F99 C102 M113L49-L111 CarbonylContact C-O 3.58Å; L49-L111 WeakPolarHBondContact CA-O 3.44Å; K50-L111 PolarHBondContact N-O 3.44Å; K50-L111 PolarHBondContact O-N 3.11Å; L80-L111 HydrophobicContact CD1-CB 4.16Å; D83-L111 HydrophobicContact CB-CD2 3.55Å; L87-L111 HydrophobicContact CD1-CD1 4.14Å; L87-L111 HydrophobicContact CD1-CD2 3.73Å; L87-L111 HydrophobicContact CD1-CG 4.34Å; F99-L111 HydrophobicContact CD2-CD1 3.73Å; F99-L111 HydrophobicContact CE2-CD1 3.57Å; C102-L111 HydrophobicContact CB-CD1 4.13Å; L111-M113 HydrophobicContact CD2-CE 3.41Å; L111-M113 VanDerWaalsContact CD2-CE 3.41Å; L111-M113 HydrophobicContact CG-CE 3.66Å
112I91.9Very high90.6Very high0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-113.4127.2179.8-55.6177.9000108.8W20 Y47 A48 L49 I100 A101 Y110W20-I112 HydrophobicContact CD2-CD1 3.5Å; W20-I112 VanDerWaalsContact CD2-CD1 3.5Å; W20-I112 HydrophobicContact CE3-CD1 4.09Å; W20-I112 HydrophobicContact CE3-CG2 4.39Å; W20-I112 HydrophobicContact CG-CD1 3.83Å; W20-I112 HydrophobicContact CH2-CD1 4.2Å; W20-I112 HydrophobicContact CH2-CG2 3.73Å; W20-I112 HydrophobicContact CZ2-CD1 3.62Å; W20-I112 HydrophobicContact CZ2-CG2 4.14Å; W20-I112 HydrophobicContact CZ3-CD1 4.38Å; W20-I112 HydrophobicContact CZ3-CG2 3.85Å; Y47-I112 HydrophobicContact CG-CG2 4.35Å; A48-I112 WeakPolarHBondContact O-CA 3.4Å; L49-I112 HydrophobicContact CB-CG1 4.41Å; L49-I112 HydrophobicContact CD1-CD1 4.35Å; L49-I112 HydrophobicContact CD1-CG1 4.3Å; L49-I112 HydrophobicContact CG-CG1 4.25Å; I100-I112 HydrophobicContact CB-CB 4.3Å; I100-I112 HydrophobicContact CB-CG2 3.95Å; I100-I112 WeakPolarHBondContact CB-O 3.36Å; I100-I112 HydrophobicContact CG1-CG2 4.31Å; I100-I112 HydrophobicContact CG2-CG2 4.24Å; I100-I112 PolarHBondContact N-O 2.69Å; A101-I112 HydrophobicContact CB-CB 4.38Å; A101-I112 PolarHBondContact N-O 2.9Å; A101-I112 PolarHBondContact O-N 3.42Å; Y110-I112 HydrophobicContact CD2-CD1 4.16Å; Y110-I112 HydrophobicContact CD2-CG1 4.06Å; Y110-I112 HydrophobicContact CE2-CD1 4.14Å; Y110-I112 HydrophobicContact CE2-CG1 4.44Å
113M93.8Very high90.9Very high24 Ų2442.2 Ų42.212%0.11821%0.213CC..EExtended strand (participates in β ladder)trans-137.6164.5-179.166.2-170.577.100111.2Y47 A48 L87 C97 R98 L111 L115Y47-M113 WeakPolarHBondContact CB-O 3.41Å; A48-M113 HydrophobicContact CB-CG 4Å; A48-M113 PolarHBondContact N-O 2.85Å; A48-M113 PolarHBondContact O-N 3.04Å; L87-M113 HydrophobicContact CD1-CE 3.95Å; L87-M113 HydrophobicContact CD1-SD 4.49Å; C97-M113 HydrophobicContact CB-CB 4.28Å; C97-M113 HydrophobicContact CB-CG 4.3Å; C97-M113 HydrophobicContact CB-SD 4.17Å; R98-M113 CarbonylContact O-C 3.53Å; R98-M113 VanDerWaalsContact O-CA 3.26Å; R98-M113 WeakPolarHBondContact O-CA 3.44Å; L111-M113 HydrophobicContact CD2-CE 3.41Å; L111-M113 VanDerWaalsContact CD2-CE 3.41Å; L111-M113 HydrophobicContact CG-CE 3.66Å; M113-L115 PolarHBondContact O-N 2.69Å
114S93.3Very high91.2Very high28 Ų2842 Ų4220%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-54.2135171.9610000110.7C97 R98 A116C97-S114 WeakPolarHBondContact CA-OG 3.47Å; C97-S114 WeakPolarHBondContact CB-OG 3.43Å; R98-S114 PolarHBondContact N-OG 2.7Å; R98-S114 PolarHBondContact O-N 3.27Å; S114-A116 PolarHBondContact O-N 2.76Å
115L94.4Very high91.7Very high17 Ų1742.1 Ų42.19%0.08921%0.211CC..PPolyproline II helixtrans-69.7127.7177.4-175.258.9000110.6L26 K36 F46 A48 M113 R170L26-L115 HydrophobicContact CD1-CD1 3.69Å; K36-L115 HydrophobicContact CD-CD2 3.91Å; K36-L115 HydrophobicContact CG-CD2 3.84Å; F46-L115 HydrophobicContact CB-CD2 3.8Å; A48-L115 HydrophobicContact CB-CD1 4.03Å; M113-L115 PolarHBondContact O-N 2.69Å; L115-R170 WeakPolarHBondContact O-CD 3.4Å
116A94.9Very high92.2Very high13 Ų1345.5 Ų45.511%0.10722%0.223CC..PPolyproline II helixtrans-85.1163.6171.800000111.3S114 A167 L180 Y381S114-A116 PolarHBondContact O-N 2.76Å; A116-A167 HydrophobicContact CB-CB 3.84Å; A116-L180 HydrophobicContact CB-CD2 4.21Å; A116-Y381 PolarHBondContact O-OH 3Å
117G94.9Very high92.8Very high9 Ų937 Ų379%0.09319%0.185CC..  trans-76.6-156.4169.100000112.1L168G117-L168 WeakPolarHBondContact CA-O 3.35Å; G117-L168 PolarHBondContact N-O 3.04Å
118P94.9Very high93.1Very high21 Ų2134.2 Ų34.214%0.13618%0.179CC..  trans-64.2146.4178.228.6-35.1000111.5L123 A167 L168P118-L123 HydrophobicContact CB-CD1 4.35Å; P118-L123 HydrophobicContact CB-CD2 4.13Å; P118-L123 HydrophobicContact CB-CG 4.09Å; P118-L123 HydrophobicContact CG-CD1 4.13Å; P118-L123 HydrophobicContact CG-CD2 4Å; P118-L123 HydrophobicContact CG-CG 4.23Å; P118-A167 VanDerWaalsContact O-CA 3.3Å; P118-A167 WeakPolarHBondContact O-CA 3.33Å; P118-A167 WeakPolarHBondContact O-CB 3.4Å; P118-L168 HydrophobicContact CG-CD1 4.32Å; P118-L168 PolarHBondContact O-N 3.37Å
119N96.4Very high93.1Very high33 Ų3339 Ų3918%0.17621%0.213CC..BIsolated β-bridgetrans-81.7161.3174.27662.3000111.1E121 D122 L123 F166 A167N119-E121 VanDerWaalsContact C-N 3.29Å; N119-E121 PolarHBondContact O-N 3.47Å; N119-E121 WeakPolarHBondContact OD1-CA 3.47Å; N119-E121 WeakPolarHBondContact OD1-CB 3.45Å; N119-E121 PolarHBondContact OD1-N 2.75Å; N119-D122 PolarHBondContact ND2-OD1 3.14Å; N119-D122 PolarHBondContact ND2-OD2 2.97Å; N119-D122 PolarHBondContact O-N 2.87Å; N119-D122 PolarHBondContact OD1-N 3.19Å; N119-D122 PolarHBondContact OD1-OD1 2.81Å; N119-L123 WeakPolarHBondContact O-CG 3.36Å; N119-L123 PolarHBondContact O-N 2.66Å; N119-F166 CarbonylContact C-O 3.58Å; N119-F166 WeakPolarHBondContact CA-O 3.43Å; N119-F166 WeakPolarHBondContact CB-O 3.13Å; N119-A167 HydrophobicContact CB-CB 4.19Å
120L97.5Very high93.3Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-69.6-24.6-177.5-66.3-174.7000113.2L123 F124 I140 P163 F166 L177 M233 F237 W360L120-L123 HydrophobicContact CD2-CD1 4.18Å; L120-F124 WeakPolarHBondContact O-CB 3.41Å; L120-F124 PolarHBondContact O-N 3.15Å; L120-I140 HydrophobicContact CD1-CD1 4.21Å; L120-I140 HydrophobicContact CD1-CG1 4.42Å; L120-I140 HydrophobicContact CD1-CG2 3.62Å; L120-I140 HydrophobicContact CD2-CD1 3.84Å; L120-I140 HydrophobicContact CD2-CG1 4.33Å; L120-P163 HydrophobicContact CB-CB 4.01Å; L120-P163 PolarHBondContact N-O 3.31Å; L120-F166 HydrophobicContact CD1-CB 3.62Å; L120-F166 HydrophobicContact CD1-CG 4.35Å; L120-F166 HydrophobicContact CG-CB 3.84Å; L120-F166 PolarHBondContact N-O 2.92Å; L120-L177 HydrophobicContact CD1-CD1 3.96Å; L120-L177 HydrophobicContact CD2-CD1 3.92Å; L120-L177 HydrophobicContact CG-CD1 4.03Å; L120-M233 HydrophobicContact CD1-CE 4.12Å; L120-F237 HydrophobicContact CB-CZ 4.06Å; L120-F237 HydrophobicContact CD1-CE2 3.94Å; L120-F237 HydrophobicContact CD1-CZ 4Å; L120-W360 HydrophobicContact CD2-CH2 4.36Å
121E96Very high93.4Very high88 Ų8846.3 Ų46.341%0.41125%0.246SC..Hα-helixtrans-65.8-51.1175.2-168.8168-100.500110.4N119 L123 F124 E125 P163 A164N119-E121 VanDerWaalsContact C-N 3.29Å; N119-E121 PolarHBondContact O-N 3.47Å; N119-E121 WeakPolarHBondContact OD1-CA 3.47Å; N119-E121 WeakPolarHBondContact OD1-CB 3.45Å; N119-E121 PolarHBondContact OD1-N 2.75Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.93Å; E121-F124 PolarHBondContact O-N 3.02Å; E121-F124 VanDerWaalsContact O-N 3.15Å; E121-E125 PolarHBondContact O-N 2.92Å; E121-P163 HydrophobicContact CB-CB 3.95Å; E121-A164 HydrophobicContact CB-CB 4.2Å
122D94.9Very high93.6Very high54 Ų5446.8 Ų46.829%0.28925%0.248SC..Hα-helixtrans-60.4-36.5177.2-66.68.5000112.4N119 K126N119-D122 PolarHBondContact ND2-OD1 3.14Å; N119-D122 PolarHBondContact ND2-OD2 2.97Å; N119-D122 PolarHBondContact O-N 2.87Å; N119-D122 PolarHBondContact OD1-N 3.19Å; N119-D122 PolarHBondContact OD1-OD1 2.81Å; D122-K126 WeakPolarHBondContact O-CD 3.45Å; D122-K126 WeakPolarHBondContact O-CG 3.5Å; D122-K126 PolarHBondContact O-N 3.41Å
123L96.1Very high93.7Very high18 Ų1849 Ų499%0.09426%0.264CS..Hα-helixtrans-71.9-40.2177.8-70.1169000110.9P118 N119 L120 E121 K126 S127 F132 L168 W360P118-L123 HydrophobicContact CB-CD1 4.35Å; P118-L123 HydrophobicContact CB-CD2 4.13Å; P118-L123 HydrophobicContact CB-CG 4.09Å; P118-L123 HydrophobicContact CG-CD1 4.13Å; P118-L123 HydrophobicContact CG-CD2 4Å; P118-L123 HydrophobicContact CG-CG 4.23Å; N119-L123 WeakPolarHBondContact O-CG 3.36Å; N119-L123 PolarHBondContact O-N 2.66Å; L120-L123 HydrophobicContact CD2-CD1 4.18Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.93Å; L123-K126 PolarHBondContact O-N 3.11Å; L123-S127 PolarHBondContact O-N 3.45Å; L123-S127 VanDerWaalsContact O-N 3.08Å; L123-F132 HydrophobicContact CB-CE1 4.42Å; L123-F132 HydrophobicContact CB-CZ 4.05Å; L123-L168 HydrophobicContact CD1-CD1 3.89Å; L123-L168 HydrophobicContact CD1-CG 4.23Å; L123-W360 HydrophobicContact CB-CE3 4.07Å; L123-W360 HydrophobicContact CB-CZ3 4.08Å; L123-W360 HydrophobicContact CD1-CD2 4.1Å; L123-W360 HydrophobicContact CD1-CE3 4.05Å; L123-W360 HydrophobicContact CD1-CH2 3.8Å; L123-W360 HydrophobicContact CD1-CZ2 3.86Å; L123-W360 HydrophobicContact CD1-CZ3 3.9Å; L123-W360 HydrophobicContact CD2-CB 4.42Å; L123-W360 HydrophobicContact CD2-CD2 3.83Å; L123-W360 HydrophobicContact CD2-CE3 3.97Å; L123-W360 HydrophobicContact CD2-CG 4.02Å; L123-W360 HydrophobicContact CG-CD2 4.44Å; L123-W360 HydrophobicContact CG-CE3 4.25Å; L123-W360 HydrophobicContact CG-CZ3 4.42Å
124F95.5Very high93.7Very high22 Ų2248.8 Ų48.810%0.09627%0.266CS..Hα-helixtrans-68.6-39178.7-176.6-112.9000111.8L120 E121 K126 S127 H130 F132 E236 F237L120-F124 WeakPolarHBondContact O-CB 3.41Å; L120-F124 PolarHBondContact O-N 3.15Å; E121-F124 PolarHBondContact O-N 3.02Å; E121-F124 VanDerWaalsContact O-N 3.15Å; F124-K126 VanDerWaalsContact C-N 3.27Å; F124-K126 PolarHBondContact O-N 3.35Å; F124-S127 WeakPolarHBondContact O-CB 3.32Å; F124-S127 PolarHBondContact O-N 3.36Å; F124-S127 PolarHBondContact O-OG 3.39Å; F124-H130 HydrophobicContact CE1-CB 4.38Å; F124-H130 VanDerWaalsContact CE2-C 3.46Å; F124-H130 WeakPolarHBondContact CE2-O 3.41Å; F124-H130 HydrophobicContact CZ-CB 4.15Å; F124-H130 WeakPolarHBondContact CZ-O 3.36Å; F124-F132 VanDerWaalsContact CA-CZ 3.47Å; F124-F132 HydrophobicContact CB-CE1 4.24Å; F124-F132 HydrophobicContact CB-CE2 4.19Å; F124-F132 HydrophobicContact CB-CZ 3.64Å; F124-F132 HydrophobicContact CD2-CD1 4.48Å; F124-F132 HydrophobicContact CD2-CD2 4.39Å; F124-F132 HydrophobicContact CD2-CE1 4.23Å; F124-F132 HydrophobicContact CD2-CE2 4.12Å; F124-F132 HydrophobicContact CD2-CZ 4.04Å; F124-F132 HydrophobicContact CG-CZ 4.36Å; F124-E236 HydrophobicContact CE1-CG 4.11Å; F124-E236 HydrophobicContact CZ-CG 3.96Å; F124-F237 HydrophobicContact CB-CD1 4.45Å; F124-F237 HydrophobicContact CB-CE1 4.12Å; F124-F237 AromaticContact CD2-CD1 3.51Å; F124-F237 HydrophobicContact CD2-CD1 3.51Å; F124-F237 HydrophobicContact CD2-CE1 4.02Å; F124-F237 AromaticContact CE2-CD1 3.79Å; F124-F237 HydrophobicContact CE2-CD1 3.79Å; F124-F237 AromaticContact CG-CD1 3.96Å; F124-F237 HydrophobicContact CG-CD1 3.96Å; F124-F237 AromaticContact CG-CE1 3.99Å; F124-F237 HydrophobicContact CG-CE1 3.99Å; F124-F237 HydrophobicContact CZ-CD1 4.44Å
125E93.7Very high93.9Very high135 Ų13547.7 Ų47.763%0.63126%0.258SS*.Hα-helixtrans-61.6-35.8175.1-171176.9-169.800112.2E121 H130E121-E125 PolarHBondContact O-N 2.92Å; E125-H130 PolarHBondContact O-CE1 3.31Å
126K93.6Very high94Very high120 Ų12046.9 Ų46.952%0.52225%0.254SS..Hα-helixtrans-82.2-16178.1-69.3168.3-170.21430113.8D122 L123 F124D122-K126 WeakPolarHBondContact O-CD 3.45Å; D122-K126 WeakPolarHBondContact O-CG 3.5Å; D122-K126 PolarHBondContact O-N 3.41Å; L123-K126 PolarHBondContact O-N 3.11Å; F124-K126 VanDerWaalsContact C-N 3.27Å; F124-K126 PolarHBondContact O-N 3.35Å
127S91.8Very high94.1Very high12 Ų1246.4 Ų46.48%0.08425%0.25CC..SBendtrans-67.4142-174.969.80000112.2L123 F124 S129 H130 K131L123-S127 PolarHBondContact O-N 3.45Å; L123-S127 VanDerWaalsContact O-N 3.08Å; F124-S127 WeakPolarHBondContact O-CB 3.32Å; F124-S127 PolarHBondContact O-N 3.36Å; F124-S127 PolarHBondContact O-OG 3.39Å; S127-S129 PolarHBondContact O-N 3.07Å; S127-H130 PolarHBondContact O-N 3.05Å; S127-H130 WeakPolarHBondContact OG-CA 3.34Å; S127-K131 WeakPolarHBondContact CB-O 3.46Å; S127-K131 PolarHBondContact OG-N 3.38Å; S127-K131 VanDerWaalsContact OG-N 3.08Å; S127-K131 PolarHBondContact OG-O 3.29Å
128P87.4Confident94.3Very high82 Ų8246.1 Ų46.153%0.53225%0.246SC..G310 helixtrans-56.2132.1175.7-25.334.1000111.7H130 K131 E363P128-H130 PolarHBondContact O-N 3.3Å; P128-H130 VanDerWaalsContact O-N 3.12Å; P128-K131 PolarHBondContact O-N 3.11Å; P128-E363 VanDerWaalsContact CD-OE1 3.24Å; P128-E363 WeakPolarHBondContact CD-OE1 3.33Å; P128-E363 WeakPolarHBondContact CG-OE1 3.49Å
129S86.3Confident94.4Very high106 Ų10645.9 Ų45.974%0.74124%0.243SC*.G310 helixtrans58.916.9-178-47.20000115.1S127 K131S127-S129 PolarHBondContact O-N 3.07Å; S129-K131 VanDerWaalsContact C-N 3.32Å; S129-K131 PolarHBondContact O-N 3.41Å
130H90.5Very high94.5Very high96 Ų9644.4 Ų44.444%0.44424%0.235SC..G310 helixtrans52.448.1-171.2-63.3-69000111.9F124 E125 S127 P128 G240F124-H130 HydrophobicContact CE1-CB 4.38Å; F124-H130 VanDerWaalsContact CE2-C 3.46Å; F124-H130 WeakPolarHBondContact CE2-O 3.41Å; F124-H130 HydrophobicContact CZ-CB 4.15Å; F124-H130 WeakPolarHBondContact CZ-O 3.36Å; E125-H130 PolarHBondContact O-CE1 3.31Å; S127-H130 PolarHBondContact O-N 3.05Å; S127-H130 WeakPolarHBondContact OG-CA 3.34Å; P128-H130 PolarHBondContact O-N 3.3Å; P128-H130 VanDerWaalsContact O-N 3.12Å; H130-G240 WeakPolarHBondContact O-CA 3.47Å
131K92.1Very high94.6Very high94 Ų9444.4 Ų44.441%0.40924%0.235SC..  trans-138.5147.9177.6-66.1-175-168.1-161.10110.3S127 P128 S129 F237 N239S127-K131 WeakPolarHBondContact CB-O 3.46Å; S127-K131 PolarHBondContact OG-N 3.38Å; S127-K131 VanDerWaalsContact OG-N 3.08Å; S127-K131 PolarHBondContact OG-O 3.29Å; P128-K131 PolarHBondContact O-N 3.11Å; S129-K131 VanDerWaalsContact C-N 3.32Å; S129-K131 PolarHBondContact O-N 3.41Å; K131-F237 WeakPolarHBondContact CA-O 3.44Å; K131-N239 WeakPolarHBondContact CE-O 3.19Å; K131-N239 PolarHBondContact NZ-O 3.02Å
132F95.1Very high94.7Very high10 Ų1041.5 Ų41.54%0.04422%0.222CC..  trans-97.5153.9162.6-63.9-32.4000110.8L123 F124 T136 T137 I140 F237 D359 W360L123-F132 HydrophobicContact CB-CE1 4.42Å; L123-F132 HydrophobicContact CB-CZ 4.05Å; F124-F132 VanDerWaalsContact CA-CZ 3.47Å; F124-F132 HydrophobicContact CB-CE1 4.24Å; F124-F132 HydrophobicContact CB-CE2 4.19Å; F124-F132 HydrophobicContact CB-CZ 3.64Å; F124-F132 HydrophobicContact CD2-CD1 4.48Å; F124-F132 HydrophobicContact CD2-CD2 4.39Å; F124-F132 HydrophobicContact CD2-CE1 4.23Å; F124-F132 HydrophobicContact CD2-CE2 4.12Å; F124-F132 HydrophobicContact CD2-CZ 4.04Å; F124-F132 HydrophobicContact CG-CZ 4.36Å; F132-T136 HydrophobicContact CB-CG2 3.79Å; F132-T136 HydrophobicContact CD1-CG2 4.31Å; F132-T136 HydrophobicContact CD2-CG2 4.01Å; F132-T136 HydrophobicContact CG-CG2 3.8Å; F132-T137 WeakPolarHBondContact CB-OG1 3.3Å; F132-I140 HydrophobicContact CD2-CD1 3.94Å; F132-I140 HydrophobicContact CE2-CD1 3.96Å; F132-F237 HydrophobicContact CB-CB 4.34Å; F132-F237 HydrophobicContact CD2-CB 3.7Å; F132-F237 AromaticContact CD2-CD1 3.79Å; F132-F237 HydrophobicContact CD2-CD1 3.79Å; F132-F237 AromaticContact CD2-CD2 3.92Å; F132-F237 HydrophobicContact CD2-CD2 3.92Å; F132-F237 HydrophobicContact CD2-CE1 4.38Å; F132-F237 AromaticContact CD2-CG 3.52Å; F132-F237 HydrophobicContact CD2-CG 3.52Å; F132-F237 HydrophobicContact CE2-CB 4.45Å; F132-F237 AromaticContact CE2-CD1 3.67Å; F132-F237 HydrophobicContact CE2-CD1 3.67Å; F132-F237 HydrophobicContact CE2-CD2 4.09Å; F132-F237 AromaticContact CE2-CE1 3.81Å; F132-F237 HydrophobicContact CE2-CE1 3.81Å; F132-F237 HydrophobicContact CE2-CE2 4.23Å; F132-F237 AromaticContact CE2-CG 3.81Å; F132-F237 HydrophobicContact CE2-CG 3.81Å; F132-F237 HydrophobicContact CE2-CZ 4.09Å; F132-F237 HydrophobicContact CG-CB 4.38Å; F132-F237 PolarHBondContact N-O 3.47Å; F132-D359 WeakPolarHBondContact CA-OD2 3.44Å; F132-D359 WeakPolarHBondContact CB-OD2 3.41Å; F132-W360 HydrophobicContact CD1-CZ3 4.31Å; F132-W360 HydrophobicContact CE1-CE3 4.28Å; F132-W360 AromaticContact CE1-CZ3 3.83Å; F132-W360 HydrophobicContact CE1-CZ3 3.83Å; F132-W360 HydrophobicContact CE2-CZ3 4.45Å; F132-W360 AromaticContact CZ-CZ3 3.91Å; F132-W360 HydrophobicContact CZ-CZ3 3.91Å
133S94.5Very high94.9Very high46 Ų4639.9 Ų39.932%0.32221%0.213SC..  trans-60.1158.2168.276.20000110.5S135 T136 T137 D359S133-S135 VanDerWaalsContact C-N 3.25Å; S133-S135 PolarHBondContact O-N 3.36Å; S133-T136 PolarHBondContact O-N 2.99Å; S133-T136 PolarHBondContact OG-N 2.94Å; S133-T136 PolarHBondContact OG-OG1 3.19Å; S133-T137 VanDerWaalsContact O-CB 3.3Å; S133-T137 WeakPolarHBondContact O-CB 3.43Å; S133-T137 PolarHBondContact O-N 3.49Å; S133-T137 PolarHBondContact O-OG1 2.76Å; S133-D359 WeakPolarHBondContact CB-OD1 3.27Å; S133-D359 PolarHBondContact N-OD2 2.97Å; S133-D359 PolarHBondContact OG-OD1 2.9Å
134A94.1Very high95Very high20 Ų2039 Ų3917%0.16521%0.208CC..Hα-helixtrans-58-39.3176.100000112.2L138 E350 V352A134-L138 WeakPolarHBondContact O-CB 3.24Å; A134-L138 WeakPolarHBondContact O-CD1 3.33Å; A134-L138 WeakPolarHBondContact O-CG 3.13Å; A134-L138 PolarHBondContact O-N 3.01Å; A134-E350 WeakPolarHBondContact CB-OE2 3.21Å; A134-V352 HydrophobicContact CB-CG1 4.16Å; A134-V352 HydrophobicContact CB-CG2 4.24Å
135S96.4Very high95.1Very high5 Ų538 Ų384%0.03520%0.204CC..Hα-helixtrans-63.8-51.9178-178.30000111.7S133 T137 L138 Q139 S353 T356S133-S135 VanDerWaalsContact C-N 3.25Å; S133-S135 PolarHBondContact O-N 3.36Å; S135-T137 VanDerWaalsContact C-N 3.32Å; S135-T137 PolarHBondContact O-N 3.35Å; S135-L138 PolarHBondContact O-N 2.84Å; S135-Q139 WeakPolarHBondContact O-CB 3.18Å; S135-Q139 WeakPolarHBondContact O-CG 3.23Å; S135-Q139 PolarHBondContact O-N 3.48Å; S135-Q139 PolarHBondContact OG-NE2 3.37Å; S135-S353 PolarHBondContact OG-O 3.29Å; S135-T356 WeakPolarHBondContact OG-CB 3.49Å
136T97.4Very high95.4Very high0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-56.6-47.6177.2-70.30000111.1F132 S133 L138 Q139 I140 F358 D359 W360F132-T136 HydrophobicContact CB-CG2 3.79Å; F132-T136 HydrophobicContact CD1-CG2 4.31Å; F132-T136 HydrophobicContact CD2-CG2 4.01Å; F132-T136 HydrophobicContact CG-CG2 3.8Å; S133-T136 PolarHBondContact O-N 2.99Å; S133-T136 PolarHBondContact OG-N 2.94Å; S133-T136 PolarHBondContact OG-OG1 3.19Å; T136-L138 PolarHBondContact O-N 3.41Å; T136-Q139 PolarHBondContact O-N 2.93Å; T136-I140 HydrophobicContact CG2-CD1 3.78Å; T136-I140 WeakPolarHBondContact O-CB 3.47Å; T136-I140 VanDerWaalsContact O-CG1 3.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.5Å; T136-I140 PolarHBondContact O-N 2.89Å; T136-F358 HydrophobicContact CG2-CD1 3.77Å; T136-F358 HydrophobicContact CG2-CE1 4.39Å; T136-F358 WeakPolarHBondContact OG1-CA 3.37Å; T136-D359 WeakPolarHBondContact CB-OD1 3.43Å; T136-D359 PolarHBondContact OG1-N 3.05Å; T136-D359 VanDerWaalsContact OG1-N 3.14Å; T136-D359 PolarHBondContact OG1-OD1 3.41Å; T136-W360 HydrophobicContact CG2-CH2 3.93Å; T136-W360 HydrophobicContact CG2-CZ3 3.85Å
137T97.3Very high95.6Very high3 Ų328.8 Ų28.82%0.01816%0.163CC..Hα-helixtrans-58-45.9178.7-61.50000112.2F132 S133 S135 I140 A141 I234 F237 K238F132-T137 WeakPolarHBondContact CB-OG1 3.3Å; S133-T137 VanDerWaalsContact O-CB 3.3Å; S133-T137 WeakPolarHBondContact O-CB 3.43Å; S133-T137 PolarHBondContact O-N 3.49Å; S133-T137 PolarHBondContact O-OG1 2.76Å; S135-T137 VanDerWaalsContact C-N 3.32Å; S135-T137 PolarHBondContact O-N 3.35Å; T137-I140 PolarHBondContact O-N 3.25Å; T137-A141 WeakPolarHBondContact O-CB 3.47Å; T137-A141 PolarHBondContact O-N 3.33Å; T137-I234 HydrophobicContact CG2-CB 4.45Å; T137-I234 HydrophobicContact CG2-CG2 3.61Å; T137-I234 WeakPolarHBondContact CG2-O 3.48Å; T137-F237 HydrophobicContact CG2-CB 4.12Å; T137-K238 HydrophobicContact CG2-CB 4.36Å
138L98.1Very high95.9Very high4 Ų428.2 Ų28.22%0.02116%0.159CC..Hα-helixtrans-75.9-34.1-177.8-67.5168000112.9A134 S135 T136 A141 I142 F343 V346 A347 V352 L354A134-L138 WeakPolarHBondContact O-CB 3.24Å; A134-L138 WeakPolarHBondContact O-CD1 3.33Å; A134-L138 WeakPolarHBondContact O-CG 3.13Å; A134-L138 PolarHBondContact O-N 3.01Å; S135-L138 PolarHBondContact O-N 2.84Å; T136-L138 PolarHBondContact O-N 3.41Å; L138-A141 WeakPolarHBondContact O-CB 3.17Å; L138-A141 PolarHBondContact O-N 3.44Å; L138-I142 WeakPolarHBondContact O-CG1 3.33Å; L138-I142 PolarHBondContact O-N 3.39Å; L138-F343 HydrophobicContact CD2-CB 4.29Å; L138-F343 HydrophobicContact CD2-CD1 3.94Å; L138-V346 HydrophobicContact CD1-CB 4.32Å; L138-V346 HydrophobicContact CD1-CG1 3.98Å; L138-V346 HydrophobicContact CD2-CB 4.01Å; L138-V346 HydrophobicContact CD2-CG1 3.89Å; L138-A347 HydrophobicContact CD1-CB 3.72Å; L138-V352 HydrophobicContact CD1-CG2 4.12Å; L138-L354 HydrophobicContact CB-CD2 3.89Å
139Q98.3Very high96.5Very high16 Ų1627.7 Ų27.78%0.07515%0.148CC..Hα-helixtrans-61-45.5170.4-76.5-178.872.200111S135 T136 A141 I142 Q143 L354 T356 F358S135-Q139 WeakPolarHBondContact O-CB 3.18Å; S135-Q139 WeakPolarHBondContact O-CG 3.23Å; S135-Q139 PolarHBondContact O-N 3.48Å; S135-Q139 PolarHBondContact OG-NE2 3.37Å; T136-Q139 PolarHBondContact O-N 2.93Å; Q139-A141 VanDerWaalsContact C-N 3.33Å; Q139-A141 PolarHBondContact O-N 3.36Å; Q139-I142 PolarHBondContact O-N 2.96Å; Q139-Q143 WeakPolarHBondContact O-CG 3.39Å; Q139-Q143 PolarHBondContact O-N 3.14Å; Q139-Q143 VanDerWaalsContact O-N 3.08Å; Q139-L354 HydrophobicContact CG-CB 4.4Å; Q139-L354 HydrophobicContact CG-CD2 4.1Å; Q139-L354 VanDerWaalsContact CG-O 3.25Å; Q139-L354 WeakPolarHBondContact CG-O 3.36Å; Q139-L354 PolarHBondContact OE1-O 3.23Å; Q139-T356 PolarHBondContact NE2-O 2.84Å; Q139-F358 HydrophobicContact CB-CE1 3.68Å; Q139-F358 HydrophobicContact CB-CZ 4.14Å; Q139-F358 HydrophobicContact CG-CE1 4.48Å
140I98.5Very high97Very high1 Ų123.6 Ų23.61%0.00512%0.118CC..Hα-helixtrans-60.7-43.6173.8-69.7164.9000110.6L120 F132 T136 T137 I142 Q143 G144 L177 I234 F237 F358 W360L120-I140 HydrophobicContact CD1-CD1 4.21Å; L120-I140 HydrophobicContact CD1-CG1 4.42Å; L120-I140 HydrophobicContact CD1-CG2 3.62Å; L120-I140 HydrophobicContact CD2-CD1 3.84Å; L120-I140 HydrophobicContact CD2-CG1 4.33Å; F132-I140 HydrophobicContact CD2-CD1 3.94Å; F132-I140 HydrophobicContact CE2-CD1 3.96Å; T136-I140 HydrophobicContact CG2-CD1 3.78Å; T136-I140 WeakPolarHBondContact O-CB 3.47Å; T136-I140 VanDerWaalsContact O-CG1 3.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.5Å; T136-I140 PolarHBondContact O-N 2.89Å; T137-I140 PolarHBondContact O-N 3.25Å; I140-I142 PolarHBondContact O-N 2.85Å; I140-Q143 PolarHBondContact O-N 3.3Å; I140-G144 PolarHBondContact O-N 3.31Å; I140-L177 HydrophobicContact CG2-CD2 4.13Å; I140-I234 HydrophobicContact CG2-CD1 4.16Å; I140-F237 HydrophobicContact CD1-CD2 4.46Å; I140-F237 HydrophobicContact CD1-CE2 4.42Å; I140-F237 HydrophobicContact CG2-CD2 4.46Å; I140-F237 HydrophobicContact CG2-CE2 4.05Å; I140-F358 HydrophobicContact CG1-CE1 4.29Å; I140-W360 HydrophobicContact CD1-CH2 4.36Å
141A98.4Very high97.4Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-57.5-49179.100000112.1T137 L138 Q139 G144 V145 I234 F343T137-A141 WeakPolarHBondContact O-CB 3.47Å; T137-A141 PolarHBondContact O-N 3.33Å; L138-A141 WeakPolarHBondContact O-CB 3.17Å; L138-A141 PolarHBondContact O-N 3.44Å; Q139-A141 VanDerWaalsContact C-N 3.33Å; Q139-A141 PolarHBondContact O-N 3.36Å; A141-G144 PolarHBondContact O-N 3.27Å; A141-V145 VanDerWaalsContact O-CG2 3.3Å; A141-V145 WeakPolarHBondContact O-CG2 3.36Å; A141-V145 PolarHBondContact O-N 2.9Å; A141-I234 HydrophobicContact CB-CD1 3.6Å; A141-I234 HydrophobicContact CB-CG1 3.71Å; A141-I234 HydrophobicContact CB-CG2 4.38Å; A141-F343 HydrophobicContact CB-CD1 3.87Å; A141-F343 HydrophobicContact CB-CD2 3.93Å; A141-F343 HydrophobicContact CB-CE1 3.95Å; A141-F343 HydrophobicContact CB-CE2 4Å; A141-F343 HydrophobicContact CB-CG 3.87Å; A141-F343 HydrophobicContact CB-CZ 4.01Å
142I98.6Very high97.7Very high28 Ų2814.6 Ų14.614%0.1448%0.078CC..Hα-helixtrans-64.2-50.9-179.6-67.7167.4000110.5L138 Q139 I140 G144 V145 E146 M340 F343 A344 L354L138-I142 WeakPolarHBondContact O-CG1 3.33Å; L138-I142 PolarHBondContact O-N 3.39Å; Q139-I142 PolarHBondContact O-N 2.96Å; I140-I142 PolarHBondContact O-N 2.85Å; I142-G144 VanDerWaalsContact C-N 3.28Å; I142-G144 PolarHBondContact O-N 2.94Å; I142-V145 PolarHBondContact O-N 3.07Å; I142-V145 VanDerWaalsContact O-N 3.13Å; I142-E146 WeakPolarHBondContact O-CG 3.44Å; I142-E146 PolarHBondContact O-N 2.65Å; I142-M340 HydrophobicContact CG2-CB 4.46Å; I142-M340 HydrophobicContact CG2-CG 4.25Å; I142-M340 HydrophobicContact CG2-SD 4.3Å; I142-F343 HydrophobicContact CD1-CB 4.29Å; I142-F343 HydrophobicContact CG1-CB 3.81Å; I142-A344 HydrophobicContact CD1-CB 4.42Å; I142-L354 HydrophobicContact CD1-CD1 3.58Å; I142-L354 HydrophobicContact CD1-CD2 4.08Å; I142-L354 HydrophobicContact CD1-CG 4.49Å
143Q98.6Very high97.7Very high19 Ų1917.9 Ų17.99%0.08910%0.096CC..Hα-helixtrans-63.6-34.2179.7-66.9-166.86500112.5H95 Q139 I140 E146 A147 R175 L177H95-Q143 PolarHBondContact CE1-OE1 3.22Å; Q139-Q143 WeakPolarHBondContact O-CG 3.39Å; Q139-Q143 PolarHBondContact O-N 3.14Å; Q139-Q143 VanDerWaalsContact O-N 3.08Å; I140-Q143 PolarHBondContact O-N 3.3Å; Q143-E146 PolarHBondContact O-N 2.92Å; Q143-A147 WeakPolarHBondContact O-CB 3.35Å; Q143-A147 PolarHBondContact O-N 2.97Å; Q143-R175 PolarHBondContact NE2-O 2.82Å; Q143-R175 VanDerWaalsContact NE2-O 3.07Å; Q143-R175 PolarHBondContact OE1-O 3.18Å; Q143-L177 HydrophobicContact CB-CB 3.77Å; Q143-L177 HydrophobicContact CB-CD2 4.11Å
144G98.7Very high97.8Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-64.5-40.4174.200000112.3I140 A141 I142 A147 L148I140-G144 PolarHBondContact O-N 3.31Å; A141-G144 PolarHBondContact O-N 3.27Å; I142-G144 VanDerWaalsContact C-N 3.28Å; I142-G144 PolarHBondContact O-N 2.94Å; G144-A147 PolarHBondContact O-N 3.12Å; G144-L148 WeakPolarHBondContact O-CB 3.39Å; G144-L148 WeakPolarHBondContact O-CG 3.3Å; G144-L148 PolarHBondContact O-N 2.81Å
145V98.7Very high97.9Very high0 Ų016.2 Ų16.20%09%0.085CC..Hα-helixtrans-65.3-41.2173.8175.90000111.1A141 I142 L148 K149 L227 L230 Y336 L339 M340 F343A141-V145 VanDerWaalsContact O-CG2 3.3Å; A141-V145 WeakPolarHBondContact O-CG2 3.36Å; A141-V145 PolarHBondContact O-N 2.9Å; I142-V145 PolarHBondContact O-N 3.07Å; I142-V145 VanDerWaalsContact O-N 3.13Å; V145-L148 PolarHBondContact O-N 2.86Å; V145-K149 WeakPolarHBondContact O-CB 3.43Å; V145-K149 PolarHBondContact O-N 3.48Å; V145-L227 HydrophobicContact CG2-CD2 4.31Å; V145-L230 HydrophobicContact CG2-CD2 3.71Å; V145-Y336 HydrophobicContact CG1-CD1 4Å; V145-L339 HydrophobicContact CG1-CD2 4.13Å; V145-L339 HydrophobicContact CG1-CG 4.44Å; V145-L339 HydrophobicContact CG2-CD2 3.67Å; V145-L339 HydrophobicContact CG2-CG 3.99Å; V145-M340 HydrophobicContact CB-CG 3.9Å; V145-M340 HydrophobicContact CG1-CG 3.63Å; V145-M340 HydrophobicContact CG1-SD 4.24Å; V145-F343 HydrophobicContact CG2-CD2 4.42Å; V145-F343 HydrophobicContact CG2-CE2 3.96Å
146E98.5Very high98Very high63 Ų6316 Ų1629%0.2948%0.083SC..Hα-helixtrans-59.3-47.1174.9-67.8-179.613800111.4H95 I142 Q143 K149 D150 M340H95-E146 IonicContact CE1-OE2 3.3Å; H95-E146 IonicContact NE2-OE2 3.14Å; H95-E146 PolarHBondContact NE2-OE2 3.32Å; I142-E146 WeakPolarHBondContact O-CG 3.44Å; I142-E146 PolarHBondContact O-N 2.65Å; Q143-E146 PolarHBondContact O-N 2.92Å; E146-K149 WeakPolarHBondContact O-CB 3.11Å; E146-K149 PolarHBondContact O-N 3.15Å; E146-D150 PolarHBondContact O-N 3.32Å; E146-M340 HydrophobicContact CG-SD 3.46Å; E146-M340 WeakPolarHBondContact CG-SD 3.5Å
147A98.6Very high97.9Very high0 Ų016 Ų160%08%0.083CC..Hα-helixtrans-61.8-48.1178.600000112.7H95 Q143 G144 K149 D150 V151 F166 L179H95-A147 HydrophobicContact CB-CB 3.47Å; H95-A147 VanDerWaalsContact CB-CB 3.47Å; Q143-A147 WeakPolarHBondContact O-CB 3.35Å; Q143-A147 PolarHBondContact O-N 2.97Å; G144-A147 PolarHBondContact O-N 3.12Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.4Å; A147-D150 PolarHBondContact O-N 3.37Å; A147-V151 PolarHBondContact O-N 2.95Å; A147-F166 HydrophobicContact CB-CE1 4.44Å; A147-L179 HydrophobicContact CB-CB 4.07Å; A147-L179 HydrophobicContact CB-CD2 4.18Å
148L98.7Very high97.9Very high0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-66.2-37.9178.6-70.8175.6000111.7G144 V145 D150 V151 H152 H158 V161 L179 D226 L227 L230G144-L148 WeakPolarHBondContact O-CB 3.39Å; G144-L148 WeakPolarHBondContact O-CG 3.3Å; G144-L148 PolarHBondContact O-N 2.81Å; V145-L148 PolarHBondContact O-N 2.86Å; L148-D150 VanDerWaalsContact C-N 3.32Å; L148-D150 PolarHBondContact O-N 2.97Å; L148-V151 PolarHBondContact O-N 3.23Å; L148-H152 VanDerWaalsContact O-CB 3.31Å; L148-H152 WeakPolarHBondContact O-CB 3.48Å; L148-H152 PolarHBondContact O-CD2 3.18Å; L148-H152 VanDerWaalsContact O-CD2 3.32Å; L148-H152 PolarHBondContact O-N 3.48Å; L148-H152 PolarHBondContact O-ND1 2.86Å; L148-H158 HydrophobicContact CD2-CB 4.15Å; L148-V161 HydrophobicContact CD1-CG1 4.45Å; L148-V161 HydrophobicContact CD1-CG2 4.33Å; L148-V161 HydrophobicContact CD2-CG2 3.74Å; L148-L179 HydrophobicContact CD2-CD2 4.03Å; L148-D226 HydrophobicContact CD1-CB 4.22Å; L148-D226 HydrophobicContact CD2-CB 4.13Å; L148-L227 HydrophobicContact CB-CD2 4.44Å; L148-L227 HydrophobicContact CD1-CD2 3.93Å; L148-L230 HydrophobicContact CD1-CB 4.12Å; L148-L230 HydrophobicContact CD1-CD2 4.07Å
149K98.3Very high97.8Very high70 Ų7017 Ų1730%0.3049%0.086SC..Hα-helixtrans-56.8-47.4172.6-179.9-176.2-177.4-62.20110.9V145 E146 A147 V151 H152 D153 Y336V145-K149 WeakPolarHBondContact O-CB 3.43Å; V145-K149 PolarHBondContact O-N 3.48Å; E146-K149 WeakPolarHBondContact O-CB 3.11Å; E146-K149 PolarHBondContact O-N 3.15Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.4Å; K149-V151 VanDerWaalsContact C-N 3.32Å; K149-V151 PolarHBondContact O-N 3.35Å; K149-H152 PolarHBondContact O-N 3.34Å; K149-D153 IonicContact NZ-OD2 3.57Å; K149-D153 PolarHBondContact NZ-OD2 3.36Å; K149-D153 VanDerWaalsContact O-CB 3.3Å; K149-D153 WeakPolarHBondContact O-CB 3.25Å; K149-D153 PolarHBondContact O-N 2.93Å; K149-Y336 HydrophobicContact CB-CD1 3.71Å; K149-Y336 HydrophobicContact CB-CD2 4.22Å; K149-Y336 HydrophobicContact CB-CE1 3.97Å; K149-Y336 HydrophobicContact CB-CE2 4.44Å; K149-Y336 HydrophobicContact CB-CG 3.84Å; K149-Y336 HydrophobicContact CD-CD2 3.94Å; K149-Y336 HydrophobicContact CD-CG 3.86Å; K149-Y336 HydrophobicContact CG-CD1 4.11Å; K149-Y336 HydrophobicContact CG-CD2 3.68Å; K149-Y336 HydrophobicContact CG-CE1 4.4Å; K149-Y336 HydrophobicContact CG-CE2 3.98Å; K149-Y336 HydrophobicContact CG-CG 3.74Å
150D98.1Very high97.6Very high21 Ų2116.7 Ų16.711%0.1129%0.085CC..Hα-helixtrans-60.3-40.4179.6-83.2-29.8000112.6V90 K93 E146 A147 L148 A154V90-D150 WeakPolarHBondContact CG1-O 3.3Å; K93-D150 HydrophobicContact CB-CB 4.27Å; K93-D150 WeakPolarHBondContact CB-OD2 3.48Å; K93-D150 HydrophobicContact CD-CB 4.24Å; K93-D150 WeakPolarHBondContact CD-OD1 3.48Å; K93-D150 VanDerWaalsContact CE-OD1 3.29Å; K93-D150 WeakPolarHBondContact CE-OD1 3.1Å; K93-D150 HydrophobicContact CG-CB 3.98Å; K93-D150 IonicContact NZ-OD1 3.86Å; K93-D150 PolarHBondContact NZ-OD1 3.46Å; E146-D150 PolarHBondContact O-N 3.32Å; A147-D150 PolarHBondContact O-N 3.37Å; L148-D150 VanDerWaalsContact C-N 3.32Å; L148-D150 PolarHBondContact O-N 2.97Å; D150-A154 WeakPolarHBondContact O-CB 3.34Å; D150-A154 PolarHBondContact O-N 2.78Å; D150-A154 VanDerWaalsContact O-N 3.12Å
151V98.2Very high97.6Very high0 Ų016.8 Ų16.80%09%0.086CC..Hα-helixtrans-67.6-43.8175.1175.90000111.5I96 A147 L148 K149 A154 G155 F156 L179 F182I96-V151 HydrophobicContact CD1-CG2 4.21Å; A147-V151 PolarHBondContact O-N 2.95Å; L148-V151 PolarHBondContact O-N 3.23Å; K149-V151 VanDerWaalsContact C-N 3.32Å; K149-V151 PolarHBondContact O-N 3.35Å; V151-A154 PolarHBondContact O-N 3.33Å; V151-G155 PolarHBondContact O-N 3.04Å; V151-F156 CarbonylContact C-O 3.48Å; V151-F156 HydrophobicContact CG1-CB 3.88Å; V151-F156 PolarHBondContact O-N 3.36Å; V151-F156 VanDerWaalsContact O-N 3.08Å; V151-L179 HydrophobicContact CG2-CD2 3.85Å; V151-F182 HydrophobicContact CG2-CE1 3.85Å
152H98.1Very high97.5Very high0 Ų018.8 Ų18.80%010%0.095CC..Hα-helixtrans-65.7-39.2179.3-66.8171.2000112.9L148 K149 A154 G155 F156 R223 D226 Y336L148-H152 VanDerWaalsContact O-CB 3.31Å; L148-H152 WeakPolarHBondContact O-CB 3.48Å; L148-H152 PolarHBondContact O-CD2 3.18Å; L148-H152 VanDerWaalsContact O-CD2 3.32Å; L148-H152 PolarHBondContact O-N 3.48Å; L148-H152 PolarHBondContact O-ND1 2.86Å; K149-H152 PolarHBondContact O-N 3.34Å; H152-A154 VanDerWaalsContact C-N 3.33Å; H152-G155 WeakPolarHBondContact O-CA 3.38Å; H152-G155 PolarHBondContact O-N 3.37Å; H152-F156 VanDerWaalsContact CA-O 3.26Å; H152-F156 WeakPolarHBondContact CA-O 3.38Å; H152-F156 PolarHBondContact CD2-O 2.85Å; H152-F156 VanDerWaalsContact CD2-O 3.24Å; H152-R223 HydrophobicContact CB-CG 4.18Å; H152-R223 PolarHBondContact CE1-O 3.4Å; H152-R223 VanDerWaalsContact CE1-O 3.26Å; H152-D226 IonicContact CD2-OD2 3.42Å; H152-D226 IonicContact NE2-OD2 3.08Å; H152-D226 PolarHBondContact NE2-OD2 2.72Å; H152-Y336 WeakPolarHBondContact CB-OH 3.14Å; H152-Y336 AromaticContact ND1-CE1 3.68Å; H152-Y336 AromaticContact ND1-CZ 3.62Å; H152-Y336 PolarHBondContact ND1-OH 2.86Å
153D96.3Very high97.5Very high80 Ų8017.5 Ų17.543%0.4289%0.088SC..Hα-helixtrans-69.3-32.6176.4-73.5-8.4000111.4K149 G155K149-D153 IonicContact NZ-OD2 3.57Å; K149-D153 PolarHBondContact NZ-OD2 3.36Å; K149-D153 VanDerWaalsContact O-CB 3.3Å; K149-D153 WeakPolarHBondContact O-CB 3.25Å; K149-D153 PolarHBondContact O-N 2.93Å; D153-G155 PolarHBondContact O-N 2.94Å
154A95.9Very high97.3Very high28 Ų2817.8 Ų17.823%0.2319%0.094CC..THydrogen-bonded Turntrans-70.2-5.8169.700000113.4K89 V90 D150 V151 H152 F156K89-A154 HydrophobicContact CB-CB 4.24Å; V90-A154 HydrophobicContact CG1-CB 3.44Å; V90-A154 VanDerWaalsContact CG1-CB 3.44Å; D150-A154 WeakPolarHBondContact O-CB 3.34Å; D150-A154 PolarHBondContact O-N 2.78Å; D150-A154 VanDerWaalsContact O-N 3.12Å; V151-A154 PolarHBondContact O-N 3.33Å; H152-A154 VanDerWaalsContact C-N 3.33Å; A154-F156 HydrophobicContact CB-CD2 4.16Å; A154-F156 VanDerWaalsContact O-CD2 3.27Å; A154-F156 WeakPolarHBondContact O-CD2 3.36Å; A154-F156 VanDerWaalsContact O-CE2 3.3Å; A154-F156 WeakPolarHBondContact O-CE2 3.43Å
155G96.5Very high97.2Very high2 Ų218.3 Ų18.32%0.02110%0.096CC..THydrogen-bonded Turntrans91.221.7174.200000114.9V151 H152 D153 Q187 I188 L189V151-G155 PolarHBondContact O-N 3.04Å; H152-G155 WeakPolarHBondContact O-CA 3.38Å; H152-G155 PolarHBondContact O-N 3.37Å; D153-G155 PolarHBondContact O-N 2.94Å; G155-Q187 CarbonylContact O-C 3.59Å; G155-Q187 WeakPolarHBondContact O-CA 3.05Å; G155-I188 WeakPolarHBondContact O-CG1 3.29Å; G155-I188 PolarHBondContact O-N 3.19Å; G155-L189 PolarHBondContact O-N 2.96Å; G155-L189 VanDerWaalsContact O-N 3.15Å
156F97.4Very high97.2Very high1 Ų118.3 Ų18.30%0.00410%0.096CC..EExtended strand (participates in β ladder)trans-120.2157.6179.9-62.4-96.3000111.7M82 V86 K89 V151 H152 A154 R186 Q187M82-F156 HydrophobicContact SD-CD1 4.12Å; M82-F156 HydrophobicContact SD-CE1 3.98Å; V86-F156 HydrophobicContact CG2-CB 4.29Å; V86-F156 HydrophobicContact CG2-CD1 3.58Å; V86-F156 HydrophobicContact CG2-CD2 4.26Å; V86-F156 HydrophobicContact CG2-CE1 3.88Å; V86-F156 HydrophobicContact CG2-CG 3.79Å; V86-F156 HydrophobicContact CG2-CZ 4.36Å; K89-F156 HydrophobicContact CB-CE2 4.36Å; K89-F156 HydrophobicContact CG-CE2 4.08Å; V151-F156 CarbonylContact C-O 3.48Å; V151-F156 HydrophobicContact CG1-CB 3.88Å; V151-F156 PolarHBondContact O-N 3.36Å; V151-F156 VanDerWaalsContact O-N 3.08Å; H152-F156 VanDerWaalsContact CA-O 3.26Å; H152-F156 WeakPolarHBondContact CA-O 3.38Å; H152-F156 PolarHBondContact CD2-O 2.85Å; H152-F156 VanDerWaalsContact CD2-O 3.24Å; A154-F156 HydrophobicContact CB-CD2 4.16Å; A154-F156 VanDerWaalsContact O-CD2 3.27Å; A154-F156 WeakPolarHBondContact O-CD2 3.36Å; A154-F156 VanDerWaalsContact O-CE2 3.3Å; A154-F156 WeakPolarHBondContact O-CE2 3.43Å; F156-R186 CarbonylContact C-O 3.44Å; F156-R186 WeakPolarHBondContact CA-O 3.28Å; F156-Q187 HydrophobicContact CD1-CB 3.81Å; F156-Q187 HydrophobicContact CD1-CG 4.13Å; F156-Q187 HydrophobicContact CE1-CB 3.6Å; F156-Q187 HydrophobicContact CE1-CG 3.75Å; F156-Q187 HydrophobicContact CE2-CG 4.47Å; F156-Q187 HydrophobicContact CZ-CB 4.29Å; F156-Q187 HydrophobicContact CZ-CG 3.93Å
157L96.8Very high97.2Very high0 Ų015.3 Ų15.30%08%0.082CC..EExtended strand (participates in β ladder)trans-106.1148.3160.9-63.3177.5000108.6R159 A185 R186 I188 L221 R223L157-R159 HydrophobicContact CB-CG 3.74Å; L157-A185 CarbonylContact O-C 3.53Å; L157-A185 WeakPolarHBondContact O-CA 3.18Å; L157-A185 WeakPolarHBondContact O-CB 3.15Å; L157-R186 PolarHBondContact N-O 3.04Å; L157-R186 PolarHBondContact O-N 3.1Å; L157-I188 HydrophobicContact CD1-CG2 3.51Å; L157-I188 HydrophobicContact CD2-CD1 3.8Å; L157-I188 HydrophobicContact CG-CB 4.5Å; L157-I188 HydrophobicContact CG-CD1 3.96Å; L157-I188 HydrophobicContact CG-CG1 4.21Å; L157-I188 HydrophobicContact CG-CG2 3.56Å; L157-L221 HydrophobicContact CD1-CB 4.43Å; L157-L221 WeakPolarHBondContact CD1-O 3.3Å; L157-R223 HydrophobicContact CD2-CB 4.14Å; L157-R223 HydrophobicContact CD2-CG 3.62Å
158H97Very high97.1Very high0 Ų015.6 Ų15.60%08%0.084CC..  trans-77.8-50.6175.1-167.8-72.9000111.8L148 D160 V161 L179 L180 D181 F182 L184 A185 D226L148-H158 HydrophobicContact CD2-CB 4.15Å; H158-D160 PolarHBondContact CE1-O 2.94Å; H158-D160 VanDerWaalsContact CE1-O 3.31Å; H158-D160 VanDerWaalsContact ND1-C 3.32Å; H158-D160 PolarHBondContact ND1-N 3.47Å; H158-D160 PolarHBondContact ND1-O 3.33Å; H158-D160 PolarHBondContact O-N 3.44Å; H158-V161 HydrophobicContact CB-CG2 4Å; H158-L179 WeakPolarHBondContact NE2-CD1 3.43Å; H158-L180 PolarHBondContact NE2-O 2.97Å; H158-D181 PolarHBondContact CE1-O 3.49Å; H158-D181 PolarHBondContact NE2-O 3.48Å; H158-D181 VanDerWaalsContact NE2-O 3.12Å; H158-F182 AromaticContact CD2-CD1 3.72Å; H158-F182 AromaticContact CD2-CE1 3.79Å; H158-L184 CarbonylContact O-C 3.5Å; H158-A185 WeakPolarHBondContact O-CA 3.44Å; H158-A185 PolarHBondContact O-N 3.17Å; H158-D226 PolarHBondContact N-OD2 3.24Å
159R94.9Very high97Very high27 Ų2715.8 Ų15.810%0.1029%0.086CC..  trans63.612.1179.5-49.7-169.6-63.3156.9-0116.7L157 L184 A185 G206 L221 D226L157-R159 HydrophobicContact CB-CG 3.74Å; R159-L184 PolarHBondContact NE-O 3.25Å; R159-L184 PolarHBondContact NH2-O 2.92Å; R159-A185 PolarHBondContact NH2-O 3.37Å; R159-G206 WeakPolarHBondContact O-CA 3.16Å; R159-L221 HydrophobicContact CB-CD1 4.17Å; R159-L221 HydrophobicContact CG-CD1 4.13Å; R159-D226 WeakPolarHBondContact CA-OD1 3.3Å; R159-D226 PolarHBondContact N-OD1 2.97Å
160D95.1Very high96.7Very high11 Ų1114.6 Ų14.66%0.0598%0.079CC..  trans-151.147.4176.1-164.135.4000111.5H158 K162 N165 L184 G206 T207H158-D160 PolarHBondContact CE1-O 2.94Å; H158-D160 VanDerWaalsContact CE1-O 3.31Å; H158-D160 VanDerWaalsContact ND1-C 3.32Å; H158-D160 PolarHBondContact ND1-N 3.47Å; H158-D160 PolarHBondContact ND1-O 3.33Å; H158-D160 PolarHBondContact O-N 3.44Å; D160-K162 PolarHBondContact O-N 3.42Å; D160-K162 IonicContact OD1-NZ 2.65Å; D160-K162 WeakPolarHBondContact OD2-CE 3.42Å; D160-K162 IonicContact OD2-NZ 3.63Å; D160-K162 PolarHBondContact OD2-NZ 3.08Å; D160-N165 PolarHBondContact O-ND2 3.48Å; D160-N165 PolarHBondContact OD2-ND2 2.96Å; D160-L184 HydrophobicContact CB-CB 4.17Å; D160-L184 HydrophobicContact CB-CD1 3.77Å; D160-L184 HydrophobicContact CB-CG 4.49Å; D160-G206 WeakPolarHBondContact OD1-CA 3.49Å; D160-T207 PolarHBondContact OD1-N 2.85Å; D160-T207 VanDerWaalsContact OD1-N 3.11Å; D160-T207 PolarHBondContact OD1-OG1 2.91Å
161V98.1Very high96.2Very high3 Ų319.7 Ų19.72%0.01811%0.107CC..  trans-73.1115.5179176.70000108.5L148 H158 F166 Y210 D226 L230 M233L148-V161 HydrophobicContact CD1-CG1 4.45Å; L148-V161 HydrophobicContact CD1-CG2 4.33Å; L148-V161 HydrophobicContact CD2-CG2 3.74Å; H158-V161 HydrophobicContact CB-CG2 4Å; V161-F166 HydrophobicContact CG1-CE2 3.73Å; V161-F166 HydrophobicContact CG1-CZ 4.16Å; V161-Y210 WeakPolarHBondContact O-CB 3.45Å; V161-D226 HydrophobicContact CG2-CB 3.91Å; V161-L230 HydrophobicContact CG1-CB 4.04Å; V161-M233 HydrophobicContact CG1-SD 3.9Å
162K96.8Very high95.9Very high41 Ų4125.1 Ų25.118%0.17815%0.145CC..  trans-159.9160.9-178.670.2-162.1-172.8-161.40110.8D160 A164 N165 F166 T207 Y210 M233D160-K162 PolarHBondContact O-N 3.42Å; D160-K162 IonicContact OD1-NZ 2.65Å; D160-K162 WeakPolarHBondContact OD2-CE 3.42Å; D160-K162 IonicContact OD2-NZ 3.63Å; D160-K162 PolarHBondContact OD2-NZ 3.08Å; K162-A164 VanDerWaalsContact C-N 3.32Å; K162-A164 HydrophobicContact CG-CB 4.29Å; K162-A164 PolarHBondContact O-N 2.93Å; K162-N165 WeakPolarHBondContact CE-ND2 3.36Å; K162-N165 HydrophobicContact CG-CB 4.1Å; K162-N165 PolarHBondContact O-N 3.23Å; K162-F166 WeakPolarHBondContact O-CD2 3.31Å; K162-T207 HydrophobicContact CD-CG2 4.24Å; K162-T207 WeakPolarHBondContact CD-OG1 3.28Å; K162-T207 PolarHBondContact NZ-OG1 3.39Å; K162-T207 VanDerWaalsContact NZ-OG1 3.16Å; K162-Y210 HydrophobicContact CB-CD2 3.44Å; K162-Y210 VanDerWaalsContact CB-CD2 3.44Å; K162-Y210 HydrophobicContact CB-CE2 3.78Å; K162-Y210 HydrophobicContact CB-CG 4.2Å; K162-M233 VanDerWaalsContact C-SD 3.5Å; K162-M233 VanDerWaalsContact CA-SD 3.52Å
163P97.6Very high95.6Very high1 Ų128.7 Ų28.71%0.00616%0.162CC..G310 helixtrans-54.6-41.3-177.1-27.637.6000114.2L120 E121 N165 F166 Y210 M233 F237L120-P163 HydrophobicContact CB-CB 4.01Å; L120-P163 PolarHBondContact N-O 3.31Å; E121-P163 HydrophobicContact CB-CB 3.95Å; P163-N165 PolarHBondContact O-N 3.35Å; P163-N165 VanDerWaalsContact O-N 3.17Å; P163-F166 PolarHBondContact O-N 3.38Å; P163-Y210 WeakPolarHBondContact CD-OH 3.4Å; P163-Y210 HydrophobicContact CG-CE1 4.12Å; P163-Y210 HydrophobicContact CG-CE2 4.29Å; P163-Y210 WeakPolarHBondContact CG-OH 3.19Å; P163-M233 HydrophobicContact CB-CE 4.36Å; P163-M233 HydrophobicContact CG-CE 4.04Å; P163-M233 HydrophobicContact CG-CG 4.1Å; P163-M233 HydrophobicContact CG-SD 4.49Å; P163-F237 HydrophobicContact CB-CE1 4.21Å; P163-F237 HydrophobicContact CB-CZ 3.95Å; P163-F237 HydrophobicContact CG-CE1 3.93Å; P163-F237 HydrophobicContact CG-CZ 3.79Å
164A95.6Very high95.5Very high25 Ų2526.9 Ų26.921%0.20716%0.157CC..G310 helixtrans-61.4-24.9178.200000114.3E121 K162E121-A164 HydrophobicContact CB-CB 4.2Å; K162-A164 VanDerWaalsContact C-N 3.32Å; K162-A164 HydrophobicContact CG-CB 4.29Å; K162-A164 PolarHBondContact O-N 2.93Å
165N97.1Very high95.5Very high11 Ų1129.4 Ų29.46%0.05916%0.161CC..G310 helixtrans-93.36.3178.8-72.3-11.3000112.8D160 K162 P163 L180D160-N165 PolarHBondContact O-ND2 3.48Å; D160-N165 PolarHBondContact OD2-ND2 2.96Å; K162-N165 WeakPolarHBondContact CE-ND2 3.36Å; K162-N165 HydrophobicContact CG-CB 4.1Å; K162-N165 PolarHBondContact O-N 3.23Å; P163-N165 PolarHBondContact O-N 3.35Å; P163-N165 VanDerWaalsContact O-N 3.17Å; N165-L180 WeakPolarHBondContact O-CB 3.3Å; N165-L180 PolarHBondContact O-N 3.21Å
166F98.3Very high95.5Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-117.9133.4167.9-73-90.9000109.4N119 L120 A147 V161 K162 P163 L177 K178 L179 L230 M233N119-F166 CarbonylContact C-O 3.58Å; N119-F166 WeakPolarHBondContact CA-O 3.43Å; N119-F166 WeakPolarHBondContact CB-O 3.13Å; L120-F166 HydrophobicContact CD1-CB 3.62Å; L120-F166 HydrophobicContact CD1-CG 4.35Å; L120-F166 HydrophobicContact CG-CB 3.84Å; L120-F166 PolarHBondContact N-O 2.92Å; A147-F166 HydrophobicContact CB-CE1 4.44Å; V161-F166 HydrophobicContact CG1-CE2 3.73Å; V161-F166 HydrophobicContact CG1-CZ 4.16Å; K162-F166 WeakPolarHBondContact O-CD2 3.31Å; P163-F166 PolarHBondContact O-N 3.38Å; F166-L177 HydrophobicContact CB-CD1 4.14Å; F166-L177 HydrophobicContact CB-CD2 4.41Å; F166-L177 HydrophobicContact CB-CG 4.3Å; F166-L177 HydrophobicContact CD1-CD2 3.45Å; F166-L177 VanDerWaalsContact CD1-CD2 3.45Å; F166-L177 HydrophobicContact CD1-CG 3.82Å; F166-L177 HydrophobicContact CE1-CD2 4.01Å; F166-L177 HydrophobicContact CG-CD2 4.21Å; F166-L177 HydrophobicContact CG-CG 4.49Å; F166-K178 CarbonylContact C-O 3.51Å; F166-K178 WeakPolarHBondContact CA-O 3.33Å; F166-L179 HydrophobicContact CD1-CB 4.47Å; F166-L179 HydrophobicContact CD1-CD1 4.13Å; F166-L179 HydrophobicContact CD2-CD1 4.34Å; F166-L179 HydrophobicContact CE1-CB 4.27Å; F166-L179 HydrophobicContact CE1-CD1 3.73Å; F166-L179 HydrophobicContact CE1-CG 4.48Å; F166-L179 HydrophobicContact CE2-CD1 3.94Å; F166-L179 HydrophobicContact CG-CD1 4.44Å; F166-L179 HydrophobicContact CZ-CD1 3.64Å; F166-L230 HydrophobicContact CZ-CD1 4.48Å; F166-M233 HydrophobicContact CD2-CE 3.67Å; F166-M233 HydrophobicContact CD2-SD 4.15Å; F166-M233 HydrophobicContact CE2-CE 3.99Å; F166-M233 HydrophobicContact CE2-SD 3.97Å; F166-M233 HydrophobicContact CG-CE 4.46Å
167A97.7Very high95.6Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-136.4163.4176.400000111.6A116 P118 N119 L177 K178 L180A116-A167 HydrophobicContact CB-CB 3.84Å; P118-A167 VanDerWaalsContact O-CA 3.3Å; P118-A167 WeakPolarHBondContact O-CA 3.33Å; P118-A167 WeakPolarHBondContact O-CB 3.4Å; N119-A167 HydrophobicContact CB-CB 4.19Å; A167-L177 CarbonylContact O-C 3.51Å; A167-K178 PolarHBondContact N-O 3.16Å; A167-K178 WeakPolarHBondContact O-CA 3.49Å; A167-K178 PolarHBondContact O-N 3.27Å; A167-L180 HydrophobicContact CB-CD1 3.64Å; A167-L180 HydrophobicContact CB-CG 4.27Å
168L97.5Very high95.6Very high6 Ų631.2 Ų31.23%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-78.7157.7171.4-61.7176.7000110.7G117 P118 L123 A174 V176 L177 F358 W360G117-L168 WeakPolarHBondContact CA-O 3.35Å; G117-L168 PolarHBondContact N-O 3.04Å; P118-L168 HydrophobicContact CG-CD1 4.32Å; P118-L168 PolarHBondContact O-N 3.37Å; L123-L168 HydrophobicContact CD1-CD1 3.89Å; L123-L168 HydrophobicContact CD1-CG 4.23Å; L168-A174 WeakPolarHBondContact CB-O 3.46Å; L168-V176 CarbonylContact C-O 3.59Å; L168-L177 HydrophobicContact CD2-CD1 4.25Å; L168-F358 HydrophobicContact CD2-CE2 4.41Å; L168-W360 HydrophobicContact CD1-CZ2 3.48Å; L168-W360 VanDerWaalsContact CD1-CZ2 3.48Å; L168-W360 HydrophobicContact CD2-CZ2 4.07Å; L168-W360 HydrophobicContact CG-CZ2 4.24Å
169G94.9Very high95.7Very high4 Ų431.2 Ų31.24%0.04117%0.17CC..  trans-68.7-175.4162.700000111.4Q173 V176G169-Q173 CarbonylContact C-O 3.56Å; G169-Q173 WeakPolarHBondContact CA-O 3.45Å; G169-Q173 PolarHBondContact N-O 3.37Å; G169-V176 PolarHBondContact N-O 2.86Å
170R91.9Very high95.7Very high45 Ų4531.7 Ų31.717%0.1717%0.174CC..  trans-117.2159.7175.8-63.2-177.561.9133.8-3110.3L115 S172 Q173 Y379 E382L115-R170 WeakPolarHBondContact O-CD 3.4Å; R170-S172 PolarHBondContact O-N 3.01Å; R170-Q173 WeakPolarHBondContact O-CA 3.39Å; R170-Q173 WeakPolarHBondContact O-CB 3.32Å; R170-Q173 PolarHBondContact O-N 2.96Å; R170-Y379 HydrophobicContact CG-CE1 4.45Å; R170-Y379 VanDerWaalsContact CZ-CE2 3.48Å; R170-Y379 VanDerWaalsContact NH2-CE2 3.28Å; R170-E382 IonicContact CZ-OE1 2.69Å; R170-E382 VanDerWaalsContact CZ-OE1 3.25Å; R170-E382 IonicContact NH1-OE1 2.81Å; R170-E382 PolarHBondContact NH1-OE1 3.24Å; R170-E382 IonicContact NH2-OE1 2.9Å; R170-E382 PolarHBondContact NH2-OE1 3.41Å; R170-E382 IonicContact NH2-OE2 3.53Å
171D89.5Confident95.6Very high129 Ų12933.6 Ų33.669%0.6918%0.184SC*.G310 helixtrans53.2-122.6173.6-47-56.1000111.7Q173 A174D171-Q173 PolarHBondContact O-N 3.39Å; D171-A174 VanDerWaalsContact O-CB 3.29Å; D171-A174 WeakPolarHBondContact O-CB 3.4Å; D171-A174 PolarHBondContact O-N 3.14Å
172S90.7Very high95.3Very high114 Ų11433.6 Ų33.680%0.79718%0.184SC*.G310 helixtrans-63.7-7177.564.50000114.7R170R170-S172 PolarHBondContact O-N 3.01Å
173Q92.4Very high95Very high75 Ų7532.3 Ų32.335%0.3518%0.182SC..G310 helixtrans-110.712176.4-60.8-70.3-74.300112.4G169 R170 D171 R175 V176G169-Q173 CarbonylContact C-O 3.56Å; G169-Q173 WeakPolarHBondContact CA-O 3.45Å; G169-Q173 PolarHBondContact N-O 3.37Å; R170-Q173 WeakPolarHBondContact O-CA 3.39Å; R170-Q173 WeakPolarHBondContact O-CB 3.32Å; R170-Q173 PolarHBondContact O-N 2.96Å; D171-Q173 PolarHBondContact O-N 3.39Å; Q173-R175 PolarHBondContact O-N 3.16Å; Q173-V176 HydrophobicContact CB-CB 4.31Å; Q173-V176 HydrophobicContact CB-CG2 4.4Å; Q173-V176 WeakPolarHBondContact O-CB 3.33Å; Q173-V176 PolarHBondContact O-N 2.96Å
174A93.9Very high94.6Very high41 Ų4133.2 Ų33.234%0.33919%0.187SC..THydrogen-bonded Turntrans-56.2-23.8-178.300000114.1L168 D171L168-A174 WeakPolarHBondContact CB-O 3.46Å; D171-A174 VanDerWaalsContact O-CB 3.29Å; D171-A174 WeakPolarHBondContact O-CB 3.4Å; D171-A174 PolarHBondContact O-N 3.14Å
175R95.5Very high94.5Very high82 Ų8232.1 Ų32.131%0.30918%0.178SC..THydrogen-bonded Turntrans-97.13.9176.1-65.1-177.563.9146-5.7115Q143 Q173 D355 T356 F358 E361Q143-R175 PolarHBondContact NE2-O 2.82Å; Q143-R175 VanDerWaalsContact NE2-O 3.07Å; Q143-R175 PolarHBondContact OE1-O 3.18Å; Q173-R175 PolarHBondContact O-N 3.16Å; R175-D355 PolarHBondContact NH2-O 3.22Å; R175-T356 PolarHBondContact NH2-O 3.4Å; R175-F358 HydrophobicContact CB-CD2 4.4Å; R175-F358 HydrophobicContact CB-CE2 3.92Å; R175-F358 HydrophobicContact CG-CD2 4.11Å; R175-F358 HydrophobicContact CG-CE2 4.14Å; R175-E361 IonicContact CZ-OE2 3.16Å; R175-E361 IonicContact NE-OE2 2.7Å; R175-E361 IonicContact NH1-OE1 3.62Å; R175-E361 IonicContact NH1-OE2 2.96Å
176V97.6Very high94.3Very high14 Ų1433.5 Ų33.59%0.08518%0.182CC..SBendtrans-98.9119.7-179.6177.80000109.7K94 L168 G169 Q173 K178K94-V176 HydrophobicContact CD-CG1 4.45Å; K94-V176 HydrophobicContact CG-CG1 3.75Å; L168-V176 CarbonylContact C-O 3.59Å; G169-V176 PolarHBondContact N-O 2.86Å; Q173-V176 HydrophobicContact CB-CB 4.31Å; Q173-V176 HydrophobicContact CB-CG2 4.4Å; Q173-V176 WeakPolarHBondContact O-CB 3.33Å; Q173-V176 PolarHBondContact O-N 2.96Å; V176-K178 HydrophobicContact CG1-CD 4.32Å
177L98.1Very high94.1Very high1 Ų135.8 Ų35.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-71.5135.3174.9-159.770.4000110.4H95 L120 I140 Q143 F166 A167 L168H95-L177 VanDerWaalsContact CA-O 3.3Å; H95-L177 WeakPolarHBondContact CA-O 3.38Å; H95-L177 WeakPolarHBondContact CB-O 3.47Å; H95-L177 PolarHBondContact ND1-O 2.89Å; L120-L177 HydrophobicContact CD1-CD1 3.96Å; L120-L177 HydrophobicContact CD2-CD1 3.92Å; L120-L177 HydrophobicContact CG-CD1 4.03Å; I140-L177 HydrophobicContact CG2-CD2 4.13Å; Q143-L177 HydrophobicContact CB-CB 3.77Å; Q143-L177 HydrophobicContact CB-CD2 4.11Å; F166-L177 HydrophobicContact CB-CD1 4.14Å; F166-L177 HydrophobicContact CB-CD2 4.41Å; F166-L177 HydrophobicContact CB-CG 4.3Å; F166-L177 HydrophobicContact CD1-CD2 3.45Å; F166-L177 VanDerWaalsContact CD1-CD2 3.45Å; F166-L177 HydrophobicContact CD1-CG 3.82Å; F166-L177 HydrophobicContact CE1-CD2 4.01Å; F166-L177 HydrophobicContact CG-CD2 4.21Å; F166-L177 HydrophobicContact CG-CG 4.49Å; A167-L177 CarbonylContact O-C 3.51Å; L168-L177 HydrophobicContact CD2-CD1 4.25Å
178K98.1Very high94Very high26 Ų2635.9 Ų35.911%0.11319%0.193CC..EExtended strand (participates in β ladder)trans-119127.1179.2-56.4-63.6-179.3176.90108.6K94 H95 F166 A167 V176 L180K94-K178 PolarHBondContact O-NZ 3.03Å; H95-K178 CarbonylContact O-C 3.48Å; H95-K178 WeakPolarHBondContact O-CA 3.34Å; F166-K178 CarbonylContact C-O 3.51Å; F166-K178 WeakPolarHBondContact CA-O 3.33Å; A167-K178 PolarHBondContact N-O 3.16Å; A167-K178 WeakPolarHBondContact O-CA 3.49Å; A167-K178 PolarHBondContact O-N 3.27Å; V176-K178 HydrophobicContact CG1-CD 4.32Å; K178-L180 HydrophobicContact CB-CD2 4.31Å
179L98.3Very high93.9Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-85129.7171.5-178.257.3000109.4H95 I96 A147 L148 V151 H158 F166 F182H95-L179 PolarHBondContact O-N 3.2Å; I96-L179 HydrophobicContact CD1-CB 4.23Å; A147-L179 HydrophobicContact CB-CB 4.07Å; A147-L179 HydrophobicContact CB-CD2 4.18Å; L148-L179 HydrophobicContact CD2-CD2 4.03Å; V151-L179 HydrophobicContact CG2-CD2 3.85Å; H158-L179 WeakPolarHBondContact NE2-CD1 3.43Å; F166-L179 HydrophobicContact CD1-CB 4.47Å; F166-L179 HydrophobicContact CD1-CD1 4.13Å; F166-L179 HydrophobicContact CD2-CD1 4.34Å; F166-L179 HydrophobicContact CE1-CB 4.27Å; F166-L179 HydrophobicContact CE1-CD1 3.73Å; F166-L179 HydrophobicContact CE1-CG 4.48Å; F166-L179 HydrophobicContact CE2-CD1 3.94Å; F166-L179 HydrophobicContact CG-CD1 4.44Å; F166-L179 HydrophobicContact CZ-CD1 3.64Å; L179-F182 HydrophobicContact CD2-CE1 4.05Å; L179-F182 HydrophobicContact CG-CE1 3.97Å; L179-F182 HydrophobicContact CG-CZ 4.21Å
180L95.1Very high93.8Very high37 Ų3738.3 Ų38.319%0.19421%0.206CC..  trans-117.8163.8-174.2-50.6-176.9000110.7C97 A116 H158 N165 A167 K178C97-L180 VanDerWaalsContact SG-CD2 3.5Å; A116-L180 HydrophobicContact CB-CD2 4.21Å; H158-L180 PolarHBondContact NE2-O 2.97Å; N165-L180 WeakPolarHBondContact O-CB 3.3Å; N165-L180 PolarHBondContact O-N 3.21Å; A167-L180 HydrophobicContact CB-CD1 3.64Å; A167-L180 HydrophobicContact CB-CG 4.27Å; K178-L180 HydrophobicContact CB-CD2 4.31Å
181D92.3Very high93.7Very high50 Ų5042.9 Ų42.927%0.26723%0.234SC..  trans54.795.7172.5-161.5-10.8000116.1K50 H158 G183K50-D181 IonicContact NZ-OD1 3.73Å; K50-D181 PolarHBondContact NZ-OD1 3.41Å; K50-D181 IonicContact NZ-OD2 3.71Å; H158-D181 PolarHBondContact CE1-O 3.49Å; H158-D181 PolarHBondContact NE2-O 3.48Å; H158-D181 VanDerWaalsContact NE2-O 3.12Å; D181-G183 PolarHBondContact OD1-N 3.45Å
182F93.4Very high93.8Very high3 Ų343.5 Ų43.51%0.01323%0.233CC..  trans-103.421.8175.5-48.1-81.7000112.3M82 D83 V86 L87 I96 V151 H158 L179 L184 A185M82-F182 VanDerWaalsContact CG-O 3.23Å; M82-F182 WeakPolarHBondContact CG-O 3.01Å; D83-F182 PolarHBondContact OD1-N 3.02Å; V86-F182 HydrophobicContact CB-CB 3.99Å; V86-F182 HydrophobicContact CB-CD1 4.34Å; V86-F182 HydrophobicContact CB-CD2 4.29Å; V86-F182 HydrophobicContact CB-CG 3.94Å; V86-F182 HydrophobicContact CG1-CB 4.17Å; V86-F182 HydrophobicContact CG1-CD1 3.58Å; V86-F182 HydrophobicContact CG1-CD2 4.02Å; V86-F182 HydrophobicContact CG1-CE1 3.92Å; V86-F182 HydrophobicContact CG1-CE2 4.35Å; V86-F182 HydrophobicContact CG1-CG 3.64Å; V86-F182 HydrophobicContact CG1-CZ 4.31Å; V86-F182 HydrophobicContact CG2-CB 4.12Å; V86-F182 HydrophobicContact CG2-CG 4.48Å; L87-F182 HydrophobicContact CD2-CD2 4.16Å; L87-F182 HydrophobicContact CD2-CE2 3.6Å; L87-F182 HydrophobicContact CG-CD2 4.11Å; L87-F182 HydrophobicContact CG-CE2 4.06Å; I96-F182 HydrophobicContact CD1-CE1 4.39Å; I96-F182 HydrophobicContact CD1-CZ 3.75Å; V151-F182 HydrophobicContact CG2-CE1 3.85Å; H158-F182 AromaticContact CD2-CD1 3.72Å; H158-F182 AromaticContact CD2-CE1 3.79Å; L179-F182 HydrophobicContact CD2-CE1 4.05Å; L179-F182 HydrophobicContact CG-CE1 3.97Å; L179-F182 HydrophobicContact CG-CZ 4.21Å; F182-L184 PolarHBondContact O-N 3.27Å; F182-A185 HydrophobicContact CB-CB 3.81Å; F182-A185 WeakPolarHBondContact O-CB 3.26Å; F182-A185 PolarHBondContact O-N 3.41Å
183G88.8Confident93.8Very high14 Ų1440.3 Ų40.314%0.14422%0.218CC..THydrogen-bonded Turntrans-61.6-33.3-178.700000112.7D83 D181D83-G183 PolarHBondContact OD1-N 3.19Å; D83-G183 VanDerWaalsContact OD2-CA 3.23Å; D83-G183 WeakPolarHBondContact OD2-CA 3.38Å; D83-G183 PolarHBondContact OD2-N 2.97Å; D181-G183 PolarHBondContact OD1-N 3.45Å
184L89.9Confident94Very high21 Ų2143.9 Ų43.911%0.1123%0.233CC..THydrogen-bonded Turntrans-92.23.3174.2-66.8-179.3000113.6F31 H158 R159 D160 F182F31-L184 HydrophobicContact CE2-CD2 4.35Å; F31-L184 HydrophobicContact CZ-CD2 4.07Å; H158-L184 CarbonylContact O-C 3.5Å; R159-L184 PolarHBondContact NE-O 3.25Å; R159-L184 PolarHBondContact NH2-O 2.92Å; D160-L184 HydrophobicContact CB-CB 4.17Å; D160-L184 HydrophobicContact CB-CD1 3.77Å; D160-L184 HydrophobicContact CB-CG 4.49Å; F182-L184 PolarHBondContact O-N 3.27Å
185A93.1Very high94.1Very high2 Ų244.6 Ų44.62%0.01723%0.231CC..  trans-64.1161.3-17900000112.2M82 V86 L157 H158 R159 F182M82-A185 WeakPolarHBondContact CE-O 3.37Å; M82-A185 HydrophobicContact CG-CB 3.78Å; M82-A185 HydrophobicContact SD-CB 4.41Å; V86-A185 HydrophobicContact CG2-CB 4.01Å; L157-A185 CarbonylContact O-C 3.53Å; L157-A185 WeakPolarHBondContact O-CA 3.18Å; L157-A185 WeakPolarHBondContact O-CB 3.15Å; H158-A185 WeakPolarHBondContact O-CA 3.44Å; H158-A185 PolarHBondContact O-N 3.17Å; R159-A185 PolarHBondContact NH2-O 3.37Å; F182-A185 HydrophobicContact CB-CB 3.81Å; F182-A185 WeakPolarHBondContact O-CB 3.26Å; F182-A185 PolarHBondContact O-N 3.41Å
186R92.8Very high94Very high40 Ų4045.4 Ų45.415%0.15123%0.234CC..EExtended strand (participates in β ladder)trans-144.1128.8179.9170.3174.1174.573.52.7111.1F156 L157 I188 R199 E220F156-R186 CarbonylContact C-O 3.44Å; F156-R186 WeakPolarHBondContact CA-O 3.28Å; L157-R186 PolarHBondContact N-O 3.04Å; L157-R186 PolarHBondContact O-N 3.1Å; R186-I188 HydrophobicContact CG-CG2 4.42Å; R186-I188 PolarHBondContact O-N 2.97Å; R186-R199 VanDerWaalsContact NH1-NH1 3.13Å; R186-E220 IonicContact CZ-OE1 3.77Å; R186-E220 IonicContact CZ-OE2 2.82Å; R186-E220 IonicContact NE-OE1 2.79Å; R186-E220 PolarHBondContact NE-OE1 2.8Å; R186-E220 VanDerWaalsContact NE-OE1 3.08Å; R186-E220 IonicContact NE-OE2 2.77Å; R186-E220 IonicContact NH2-OE2 3.67Å; R186-E220 PolarHBondContact NH2-OE2 2.76Å
187Q94.9Very high93.8Very high47 Ų4749.7 Ų49.722%0.2226%0.261CS..EExtended strand (participates in β ladder)trans-68.2120.6169.5-157.2-174.91500110.4G155 F156 L189G155-Q187 CarbonylContact O-C 3.59Å; G155-Q187 WeakPolarHBondContact O-CA 3.05Å; F156-Q187 HydrophobicContact CD1-CB 3.81Å; F156-Q187 HydrophobicContact CD1-CG 4.13Å; F156-Q187 HydrophobicContact CE1-CB 3.6Å; F156-Q187 HydrophobicContact CE1-CG 3.75Å; F156-Q187 HydrophobicContact CE2-CG 4.47Å; F156-Q187 HydrophobicContact CZ-CB 4.29Å; F156-Q187 HydrophobicContact CZ-CG 3.93Å; Q187-L189 WeakPolarHBondContact CG-O 3.48Å; Q187-L189 PolarHBondContact NE2-O 3.38Å
188I94.7Very high93.5Very high2 Ų252.4 Ų52.41%0.0128%0.279CS..  trans-107.1-20.817753.8160000113G155 L157 R186 L195 R196 R223G155-I188 WeakPolarHBondContact O-CG1 3.29Å; G155-I188 PolarHBondContact O-N 3.19Å; L157-I188 HydrophobicContact CD1-CG2 3.51Å; L157-I188 HydrophobicContact CD2-CD1 3.8Å; L157-I188 HydrophobicContact CG-CB 4.5Å; L157-I188 HydrophobicContact CG-CD1 3.96Å; L157-I188 HydrophobicContact CG-CG1 4.21Å; L157-I188 HydrophobicContact CG-CG2 3.56Å; R186-I188 HydrophobicContact CG-CG2 4.42Å; R186-I188 PolarHBondContact O-N 2.97Å; I188-L195 HydrophobicContact CB-CD1 4.08Å; I188-L195 HydrophobicContact CD1-CD1 4.1Å; I188-L195 HydrophobicContact CG1-CD1 4.45Å; I188-R196 WeakPolarHBondContact O-CB 3.48Å; I188-R196 WeakPolarHBondContact O-CG 3.11Å; I188-R196 PolarHBondContact O-N 3.41Å; I188-R223 HydrophobicContact CD1-CG 3.91Å
189L95.3Very high93.1Very high26 Ų2655.6 Ų55.614%0.13629%0.291CS..BIsolated β-bridgetrans-97146.1173.7-57.9-175.1000110.6G155 Q187 K194 L195G155-L189 PolarHBondContact O-N 2.96Å; G155-L189 VanDerWaalsContact O-N 3.15Å; Q187-L189 WeakPolarHBondContact CG-O 3.48Å; Q187-L189 PolarHBondContact NE2-O 3.38Å; L189-K194 CarbonylContact C-O 3.49Å; L189-K194 VanDerWaalsContact CA-O 3.31Å; L189-K194 WeakPolarHBondContact CA-O 3.39Å; L189-L195 HydrophobicContact CD2-CB 4.22Å; L189-L195 HydrophobicContact CD2-CD1 4Å
190T93.8Very high92.3Very high35 Ų3565.3 Ų65.322%0.21533%0.333CS..  trans-74173.1165.8710000110E192 G193 K194 R196T190-E192 WeakPolarHBondContact CB-OE2 3.41Å; T190-E192 PolarHBondContact O-N 2.86Å; T190-E192 PolarHBondContact OG1-N 3.04Å; T190-E192 PolarHBondContact OG1-OE2 3.17Å; T190-G193 PolarHBondContact O-N 3.23Å; T190-K194 HydrophobicContact CG2-CB 4.4Å; T190-K194 PolarHBondContact N-O 3.15Å; T190-K194 PolarHBondContact OG1-N 3.24Å; T190-R196 HydrophobicContact CG2-CG 4.01Å
191N89.4Confident90.8Very high141 Ų14167.9 Ų67.975%0.75436%0.36SS*.THydrogen-bonded Turntrans-63.3-24.7176.2-67.4-22.3000112G193N191-G193 PolarHBondContact O-N 2.99Å
192E92.3Very high89.6Confident143 Ų14367.1 Ų67.167%0.66836%0.355SS*.THydrogen-bonded Turntrans-845.5174.2-48.471-145.900112.7T190 K194T190-E192 WeakPolarHBondContact CB-OE2 3.41Å; T190-E192 PolarHBondContact O-N 2.86Å; T190-E192 PolarHBondContact OG1-N 3.04Å; T190-E192 PolarHBondContact OG1-OE2 3.17Å; E192-K194 VanDerWaalsContact C-N 3.3Å; E192-K194 PolarHBondContact O-N 3Å
193G91.3Very high88.9Confident47 Ų4769 Ų6949%0.48538%0.376SS..SBendtrans77.28.8179.400000114.9T190 N191T190-G193 PolarHBondContact O-N 3.23Å; N191-G193 PolarHBondContact O-N 2.99Å
194K94.9Very high88.7Confident150 Ų15070.5 Ų70.565%0.65238%0.378SS*.PPolyproline II helixtrans-81.1138.8179.1-65.3-175.8178.4179.20111.1L189 T190 E192 R196L189-K194 CarbonylContact C-O 3.49Å; L189-K194 VanDerWaalsContact CA-O 3.31Å; L189-K194 WeakPolarHBondContact CA-O 3.39Å; T190-K194 HydrophobicContact CG2-CB 4.4Å; T190-K194 PolarHBondContact N-O 3.15Å; T190-K194 PolarHBondContact OG1-N 3.24Å; E192-K194 VanDerWaalsContact C-N 3.3Å; E192-K194 PolarHBondContact O-N 3Å; K194-R196 PolarHBondContact O-N 3.48Å
195L95.8Very high88.2Confident56 Ų5672.8 Ų72.829%0.29339%0.385SS..BIsolated β-bridgetrans-68.3127.6176.2-173.267.3000110.6I188 L189 Y330 F331I188-L195 HydrophobicContact CB-CD1 4.08Å; I188-L195 HydrophobicContact CD1-CD1 4.1Å; I188-L195 HydrophobicContact CG1-CD1 4.45Å; L189-L195 HydrophobicContact CD2-CB 4.22Å; L189-L195 HydrophobicContact CD2-CD1 4Å; L195-Y330 HydrophobicContact CD1-CE1 4.17Å; L195-Y330 HydrophobicContact CD2-CD1 4.05Å; L195-Y330 HydrophobicContact CD2-CE1 3.76Å; L195-Y330 HydrophobicContact CG-CE1 3.89Å; L195-F331 HydrophobicContact CD2-CB 4.48Å; L195-F331 HydrophobicContact CD2-CD1 3.96Å
196R94.6Very high87.7Confident99 Ų9973.7 Ų73.737%0.37440%0.395SS..PPolyproline II helixtrans-69.2143.3175.1-68.4173.9178.8-103.58.1110.1I188 T190 K194 Y330I188-R196 WeakPolarHBondContact O-CB 3.48Å; I188-R196 WeakPolarHBondContact O-CG 3.11Å; I188-R196 PolarHBondContact O-N 3.41Å; T190-R196 HydrophobicContact CG2-CG 4.01Å; K194-R196 PolarHBondContact O-N 3.48Å; R196-Y330 VanDerWaalsContact O-CE1 3.23Å; R196-Y330 WeakPolarHBondContact O-CE1 3.18Å; R196-Y330 PolarHBondContact O-OH 2.75Å
197P93.3Very high87.5Confident103 Ų10373.7 Ų73.767%0.66940%0.399SS*.PPolyproline II helixtrans-64.1151.1177.827.1-34.7000111.7R199P197-R199 PolarHBondContact O-N 3.06Å
198P91.9Very high87.4Confident59 Ų5975.5 Ų75.538%0.38341%0.408SS..PPolyproline II helixtrans-57.6134.1173.6-22.131.5000111.8E220 Y330 F331P198-E220 HydrophobicContact CB-CB 3.97Å; P198-E220 HydrophobicContact CB-CG 4.32Å; P198-Y330 HydrophobicContact CG-CD1 3.68Å; P198-Y330 HydrophobicContact CG-CE1 3.88Å; P198-Y330 HydrophobicContact CG-CG 4.2Å; P198-F331 HydrophobicContact CG-CE1 4.17Å; P198-F331 HydrophobicContact CG-CE2 4.43Å; P198-F331 HydrophobicContact CG-CZ 3.7Å
199R88.7Confident87.3Confident93 Ų9378.3 Ų78.335%0.35142%0.418SS..PPolyproline II helixtrans-77.3152.4169.7-64.5173.9-66.5174.6-2.2110.6R186 P197 L202 E220R186-R199 VanDerWaalsContact NH1-NH1 3.13Å; P197-R199 PolarHBondContact O-N 3.06Å; R199-L202 HydrophobicContact CB-CD1 4.29Å; R199-L202 HydrophobicContact CB-CD2 4.15Å; R199-L202 HydrophobicContact CB-CG 4.31Å; R199-L202 VanDerWaalsContact CZ-CD1 3.46Å; R199-E220 VanDerWaalsContact CB-OE2 3.23Å; R199-E220 WeakPolarHBondContact CB-OE2 3.4Å; R199-E220 VanDerWaalsContact CG-OE2 3.31Å; R199-E220 WeakPolarHBondContact CG-OE2 3.3Å; R199-E220 IonicContact CZ-OE1 3.8Å; R199-E220 IonicContact CZ-OE2 3.37Å; R199-E220 PolarHBondContact N-OE2 3.26Å; R199-E220 IonicContact NE-OE1 2.72Å; R199-E220 IonicContact NE-OE2 2.81Å; R199-E220 PolarHBondContact NE-OE2 3.21Å; R199-E220 IonicContact NH2-OE1 3.25Å; R199-E220 PolarHBondContact NH2-OE1 3.48Å; R199-E220 IonicContact NH2-OE2 2.76Å
200K81.7Confident87.2Confident203 Ų20377.5 Ų77.588%0.88341%0.414SS*.SBendtrans-79.9135.1171.7-64.1-175.4179-1770110
201A64Low87.2Confident92 Ų9276.1 Ų76.176%0.7641%0.406SS*.  trans45.189.4167.600000115
202L67.5Low87.4Confident33 Ų3369.5 Ų69.517%0.17337%0.371CS..  trans-106.7123.9174.5-60.9166.9000108R199 S218 E220R199-L202 HydrophobicContact CB-CD1 4.29Å; R199-L202 HydrophobicContact CB-CD2 4.15Å; R199-L202 HydrophobicContact CB-CG 4.31Å; R199-L202 VanDerWaalsContact CZ-CD1 3.46Å; L202-S218 PolarHBondContact N-O 2.72Å; L202-S218 VanDerWaalsContact N-O 3.15Å; L202-S218 CarbonylContact O-C 3.56Å; L202-S218 WeakPolarHBondContact O-CA 3.17Å; L202-S218 WeakPolarHBondContact O-CB 3.33Å; L202-S218 PolarHBondContact O-OG 3.26Å; L202-E220 HydrophobicContact CD1-CB 4.3Å; L202-E220 VanDerWaalsContact CD1-CD 3.5Å; L202-E220 HydrophobicContact CD1-CG 4.45Å; L202-E220 WeakPolarHBondContact CD1-OE1 3.46Å
203G79.1Confident87.2Confident43 Ų4364.1 Ų64.144%0.44335%0.347SS..  trans-53.1159.2170.100000111.2R205G203-R205 PolarHBondContact O-NH1 3.12Å
204F84.9Confident87.2Confident46 Ų4663.7 Ų63.720%0.20233%0.334CS..  trans-47.9139.8-175.7-179.6-100.1000113.2G206 E208 A211 A215 F250F204-G206 WeakPolarHBondContact CE1-O 3.07Å; F204-E208 HydrophobicContact CD1-CG 4.48Å; F204-E208 HydrophobicContact CE1-CG 3.65Å; F204-E208 HydrophobicContact CZ-CB 4.28Å; F204-E208 HydrophobicContact CZ-CG 3.83Å; F204-A211 HydrophobicContact CE2-CB 3.71Å; F204-A211 HydrophobicContact CZ-CB 3.67Å; F204-A215 HydrophobicContact CD2-CB 4.19Å; F204-A215 WeakPolarHBondContact CD2-O 3.43Å; F204-A215 HydrophobicContact CE2-CB 3.93Å; F204-F250 HydrophobicContact CB-CE2 4.09Å; F204-F250 HydrophobicContact CB-CZ 3.93Å; F204-F250 AromaticContact CD1-CE2 3.89Å; F204-F250 HydrophobicContact CD1-CE2 3.89Å; F204-F250 AromaticContact CD2-CE2 3.45Å; F204-F250 HydrophobicContact CD2-CE2 3.45Å; F204-F250 VanDerWaalsContact CD2-CE2 3.45Å; F204-F250 AromaticContact CD2-CZ 3.6Å; F204-F250 HydrophobicContact CD2-CZ 3.6Å; F204-F250 HydrophobicContact CE1-CE2 4.2Å; F204-F250 AromaticContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CZ 4.3Å; F204-F250 AromaticContact CG-CE2 3.52Å; F204-F250 HydrophobicContact CG-CE2 3.52Å; F204-F250 AromaticContact CG-CZ 3.77Å; F204-F250 HydrophobicContact CG-CZ 3.77Å; F204-F250 HydrophobicContact CZ-CE2 4.2Å
205R77.8Confident87.1Confident68 Ų6856.8 Ų56.826%0.25731%0.305SS..  trans-139.7140.6176.6-66-63.8-177.9-85.36.1109.8F64 G203F64-R205 VanDerWaalsContact CZ-NH2 3.32Å; G203-R205 PolarHBondContact O-NH1 3.12Å
206G83.6Confident86.8Confident21 Ų2154.9 Ų54.922%0.21629%0.294CS..SBendtrans102.5-167.5-179.400000112.1R159 D160 F204R159-G206 WeakPolarHBondContact O-CA 3.16Å; D160-G206 WeakPolarHBondContact OD1-CA 3.49Å; F204-G206 WeakPolarHBondContact CE1-O 3.07Å
207T89Confident86.5Confident40 Ų4052.8 Ų52.825%0.24529%0.291CS..  trans-96.5120.6179.5-62.70000109.9D160 K162 R209 Y210 A211D160-T207 PolarHBondContact OD1-N 2.85Å; D160-T207 VanDerWaalsContact OD1-N 3.11Å; D160-T207 PolarHBondContact OD1-OG1 2.91Å; K162-T207 HydrophobicContact CD-CG2 4.24Å; K162-T207 WeakPolarHBondContact CD-OG1 3.28Å; K162-T207 PolarHBondContact NZ-OG1 3.39Å; K162-T207 VanDerWaalsContact NZ-OG1 3.16Å; T207-R209 HydrophobicContact CG2-CB 4.37Å; T207-R209 PolarHBondContact O-N 3.37Å; T207-Y210 HydrophobicContact CG2-CD2 3.91Å; T207-Y210 HydrophobicContact CG2-CE2 4.32Å; T207-Y210 PolarHBondContact O-N 2.74Å; T207-A211 WeakPolarHBondContact O-CB 3.06Å; T207-A211 PolarHBondContact O-N 3Å
208E91.7Very high86.3Confident86 Ų8650.1 Ų50.140%0.40227%0.274SS..THydrogen-bonded Turntrans-46.1-40.9-172.4-63.3-179.3-17100113.6F204 H216 F250 K257F204-E208 HydrophobicContact CD1-CG 4.48Å; F204-E208 HydrophobicContact CE1-CG 3.65Å; F204-E208 HydrophobicContact CZ-CB 4.28Å; F204-E208 HydrophobicContact CZ-CG 3.83Å; E208-H216 PolarHBondContact O-NE2 3.32Å; E208-F250 HydrophobicContact CG-CD2 3.83Å; E208-F250 HydrophobicContact CG-CE2 4.18Å; E208-K257 PolarHBondContact O-NZ 3.11Å
209R91.9Very high86.2Confident60 Ų6052.2 Ų52.223%0.22628%0.277CS..THydrogen-bonded Turntrans-59.9-45.4177.2177.4171.8-77.6-142.5-6.7113.7T207 E236 L242 W244 V246 K257T207-R209 HydrophobicContact CG2-CB 4.37Å; T207-R209 PolarHBondContact O-N 3.37Å; R209-E236 IonicContact CZ-OE1 2.63Å; R209-E236 IonicContact NH1-OE1 3.86Å; R209-E236 PolarHBondContact NH1-OE1 3.13Å; R209-L242 HydrophobicContact CG-CD1 3.67Å; R209-W244 PolarHBondContact O-NE1 3.4Å; R209-V246 VanDerWaalsContact NH2-N 3.11Å; R209-K257 VanDerWaalsContact C-NZ 3.35Å; R209-K257 WeakPolarHBondContact O-CE 3.33Å; R209-K257 PolarHBondContact O-NZ 2.88Å
210Y94.3Very high86.4Confident10 Ų1048.5 Ų48.54%0.03926%0.264CS..THydrogen-bonded Turntrans-103.9-17.8-172.9-53-75.4000113.7V161 K162 P163 T207 S229 Y232 M233 E236 L242V161-Y210 WeakPolarHBondContact O-CB 3.45Å; K162-Y210 HydrophobicContact CB-CD2 3.44Å; K162-Y210 VanDerWaalsContact CB-CD2 3.44Å; K162-Y210 HydrophobicContact CB-CE2 3.78Å; K162-Y210 HydrophobicContact CB-CG 4.2Å; P163-Y210 WeakPolarHBondContact CD-OH 3.4Å; P163-Y210 HydrophobicContact CG-CE1 4.12Å; P163-Y210 HydrophobicContact CG-CE2 4.29Å; P163-Y210 WeakPolarHBondContact CG-OH 3.19Å; T207-Y210 HydrophobicContact CG2-CD2 3.91Å; T207-Y210 HydrophobicContact CG2-CE2 4.32Å; T207-Y210 PolarHBondContact O-N 2.74Å; Y210-S229 VanDerWaalsContact O-CA 3.22Å; Y210-S229 WeakPolarHBondContact O-CA 3.35Å; Y210-S229 VanDerWaalsContact O-CB 3.31Å; Y210-S229 WeakPolarHBondContact O-CB 3.49Å; Y210-S229 PolarHBondContact O-OG 3.08Å; Y210-S229 VanDerWaalsContact O-OG 3.12Å; Y210-Y232 WeakPolarHBondContact O-CD2 3.31Å; Y210-M233 HydrophobicContact CD1-CG 3.73Å; Y210-M233 HydrophobicContact CE1-CG 3.94Å; Y210-M233 HydrophobicContact CG-CG 4.37Å; Y210-E236 VanDerWaalsContact CE1-OE2 3.23Å; Y210-E236 WeakPolarHBondContact CE1-OE2 3.14Å; Y210-E236 PolarHBondContact OH-OE2 3.18Å; Y210-L242 HydrophobicContact CD1-CD1 4.42Å; Y210-L242 HydrophobicContact CE1-CD1 4.21Å
211A93.3Very high87Confident6 Ų639.5 Ų39.55%0.0523%0.225CC..  trans-59.5142.7-177.700000112.1F204 T207 A215 K257F204-A211 HydrophobicContact CE2-CB 3.71Å; F204-A211 HydrophobicContact CZ-CB 3.67Å; T207-A211 WeakPolarHBondContact O-CB 3.06Å; T207-A211 PolarHBondContact O-N 3Å; A211-A215 HydrophobicContact CB-CB 3.79Å; A211-K257 PolarHBondContact O-NZ 3Å
212S92.8Very high88.5Confident2 Ų235.1 Ų35.11%0.01419%0.19CC..  trans-65.4164.9178.674.80000112.3N214 A215 H216 D225S212-N214 PolarHBondContact O-N 2.93Å; S212-N214 PolarHBondContact OG-N 3.27Å; S212-A215 WeakPolarHBondContact O-CB 3.46Å; S212-A215 PolarHBondContact O-N 3.27Å; S212-H216 PolarHBondContact O-CD2 3.01Å; S212-H216 PolarHBondContact O-N 2.84Å; S212-D225 VanDerWaalsContact CB-OD1 3.26Å; S212-D225 WeakPolarHBondContact CB-OD1 3.49Å; S212-D225 VanDerWaalsContact OG-CG 3.31Å; S212-D225 PolarHBondContact OG-OD1 2.97Å
213V89.8Confident89.9Confident29 Ų2934.5 Ų34.518%0.17619%0.185CC..Hα-helixtrans-56.7-32172.41760000111.9A215 H216 D217 K257 K258V213-A215 VanDerWaalsContact C-N 3.28Å; V213-A215 PolarHBondContact O-N 2.81Å; V213-H216 WeakPolarHBondContact O-CB 3.44Å; V213-H216 PolarHBondContact O-N 2.9Å; V213-D217 WeakPolarHBondContact O-CB 3.4Å; V213-D217 PolarHBondContact O-N 3.49Å; V213-K257 HydrophobicContact CG2-CB 3.64Å; V213-K258 HydrophobicContact CG1-CD 4.26Å; V213-K258 HydrophobicContact CG1-CG 3.61Å; V213-K258 HydrophobicContact CG2-CG 4.21Å
214N91.3Very high90.7Very high39 Ų3932.7 Ų32.721%0.20917%0.165CC..Hα-helixtrans-65.4-32.1177.3-66.8-41.4000112.5S212 D217 S218 K219 L221 H224 D225S212-N214 PolarHBondContact O-N 2.93Å; S212-N214 PolarHBondContact OG-N 3.27Å; N214-D217 CarbonylContact O-C 3.51Å; N214-D217 PolarHBondContact O-N 2.91Å; N214-S218 PolarHBondContact O-N 3.37Å; N214-K219 HydrophobicContact CB-CB 4.1Å; N214-K219 HydrophobicContact CB-CD 4.27Å; N214-K219 WeakPolarHBondContact O-CB 3.47Å; N214-K219 PolarHBondContact O-N 2.79Å; N214-K219 WeakPolarHBondContact OD1-CD 3.36Å; N214-L221 HydrophobicContact CB-CD2 4.09Å; N214-H224 PolarHBondContact ND2-NE2 2.87Å; N214-D225 WeakPolarHBondContact CB-OD1 3.49Å; N214-D225 PolarHBondContact ND2-OD1 3.45Å
215A92Very high91.3Very high4 Ų430.6 Ų30.63%0.03316%0.156CC..Hα-helixtrans-67.4-43.8174.900000111.5F204 A211 S212 V213 D217 S218 L221F204-A215 HydrophobicContact CD2-CB 4.19Å; F204-A215 WeakPolarHBondContact CD2-O 3.43Å; F204-A215 HydrophobicContact CE2-CB 3.93Å; A211-A215 HydrophobicContact CB-CB 3.79Å; S212-A215 WeakPolarHBondContact O-CB 3.46Å; S212-A215 PolarHBondContact O-N 3.27Å; V213-A215 VanDerWaalsContact C-N 3.28Å; V213-A215 PolarHBondContact O-N 2.81Å; A215-D217 VanDerWaalsContact C-N 3.32Å; A215-D217 PolarHBondContact O-N 3.21Å; A215-S218 PolarHBondContact O-N 2.76Å; A215-S218 VanDerWaalsContact O-N 3.1Å; A215-L221 HydrophobicContact CB-CD1 4.39Å; A215-L221 HydrophobicContact CB-CD2 3.88Å
216H88.8Confident92.2Very high17 Ų1727.5 Ų27.58%0.07914%0.144CC..Hα-helixtrans-59.5-42.6173.2-78.9-82.6000111.6E208 S212 V213 S218 F250E208-H216 PolarHBondContact O-NE2 3.32Å; S212-H216 PolarHBondContact O-CD2 3.01Å; S212-H216 PolarHBondContact O-N 2.84Å; V213-H216 WeakPolarHBondContact O-CB 3.44Å; V213-H216 PolarHBondContact O-N 2.9Å; H216-S218 PolarHBondContact O-N 2.66Å; H216-S218 VanDerWaalsContact O-N 3.16Å; H216-F250 AromaticContact CE1-CE2 3.86Å; H216-F250 AromaticContact ND1-CE2 3.77Å; H216-F250 AromaticContact ND1-CZ 3.69Å
217D88.9Confident92.9Very high55 Ų5526.7 Ų26.729%0.29414%0.135SC..THydrogen-bonded Turntrans-76.27.3176.4-68.6-14.5000113.9V213 N214 A215 K219 K258V213-D217 WeakPolarHBondContact O-CB 3.4Å; V213-D217 PolarHBondContact O-N 3.49Å; N214-D217 CarbonylContact O-C 3.51Å; N214-D217 PolarHBondContact O-N 2.91Å; A215-D217 VanDerWaalsContact C-N 3.32Å; A215-D217 PolarHBondContact O-N 3.21Å; D217-K219 HydrophobicContact CB-CD 3.91Å; D217-K219 HydrophobicContact CB-CG 4.03Å; D217-K219 PolarHBondContact O-N 3.31Å; D217-K219 VanDerWaalsContact O-N 3.1Å; D217-K219 IonicContact OD2-NZ 3.7Å; D217-K219 PolarHBondContact OD2-NZ 3.49Å; D217-K258 WeakPolarHBondContact OD1-CE 3.46Å; D217-K258 IonicContact OD1-NZ 2.74Å; D217-K258 PolarHBondContact OD1-NZ 3.4Å
218S89Confident93.3Very high47 Ų4725.2 Ų25.233%0.32913%0.125SC..THydrogen-bonded Turntrans56.728.2179.1-65.50000114.4L202 N214 A215 H216L202-S218 PolarHBondContact N-O 2.72Å; L202-S218 VanDerWaalsContact N-O 3.15Å; L202-S218 CarbonylContact O-C 3.56Å; L202-S218 WeakPolarHBondContact O-CA 3.17Å; L202-S218 WeakPolarHBondContact O-CB 3.33Å; L202-S218 PolarHBondContact O-OG 3.26Å; N214-S218 PolarHBondContact O-N 3.37Å; A215-S218 PolarHBondContact O-N 2.76Å; A215-S218 VanDerWaalsContact O-N 3.1Å; H216-S218 PolarHBondContact O-N 2.66Å; H216-S218 VanDerWaalsContact O-N 3.16Å
219K90.4Very high93.5Very high102 Ų10221.5 Ų21.544%0.44311%0.109SC..PPolyproline II helixtrans-83157.9176.9-67.7167.4-178.7154.30110.5N214 D217 L221N214-K219 HydrophobicContact CB-CB 4.1Å; N214-K219 HydrophobicContact CB-CD 4.27Å; N214-K219 WeakPolarHBondContact O-CB 3.47Å; N214-K219 PolarHBondContact O-N 2.79Å; N214-K219 WeakPolarHBondContact OD1-CD 3.36Å; D217-K219 HydrophobicContact CB-CD 3.91Å; D217-K219 HydrophobicContact CB-CG 4.03Å; D217-K219 PolarHBondContact O-N 3.31Å; D217-K219 VanDerWaalsContact O-N 3.1Å; D217-K219 IonicContact OD2-NZ 3.7Å; D217-K219 PolarHBondContact OD2-NZ 3.49Å; K219-L221 PolarHBondContact O-N 2.99Å
220E92.1Very high93.8Very high16 Ų1618.7 Ų18.78%0.07510%0.099CC..PPolyproline II helixtrans-65.8127.5169.7-175.980-109.700109.8R186 P198 R199 L202 Y330R186-E220 IonicContact CZ-OE1 3.77Å; R186-E220 IonicContact CZ-OE2 2.82Å; R186-E220 IonicContact NE-OE1 2.79Å; R186-E220 PolarHBondContact NE-OE1 2.8Å; R186-E220 VanDerWaalsContact NE-OE1 3.08Å; R186-E220 IonicContact NE-OE2 2.77Å; R186-E220 IonicContact NH2-OE2 3.67Å; R186-E220 PolarHBondContact NH2-OE2 2.76Å; P198-E220 HydrophobicContact CB-CB 3.97Å; P198-E220 HydrophobicContact CB-CG 4.32Å; R199-E220 VanDerWaalsContact CB-OE2 3.23Å; R199-E220 WeakPolarHBondContact CB-OE2 3.4Å; R199-E220 VanDerWaalsContact CG-OE2 3.31Å; R199-E220 WeakPolarHBondContact CG-OE2 3.3Å; R199-E220 IonicContact CZ-OE1 3.8Å; R199-E220 IonicContact CZ-OE2 3.37Å; R199-E220 PolarHBondContact N-OE2 3.26Å; R199-E220 IonicContact NE-OE1 2.72Å; R199-E220 IonicContact NE-OE2 2.81Å; R199-E220 PolarHBondContact NE-OE2 3.21Å; R199-E220 IonicContact NH2-OE1 3.25Å; R199-E220 PolarHBondContact NH2-OE1 3.48Å; R199-E220 IonicContact NH2-OE2 2.76Å; L202-E220 HydrophobicContact CD1-CB 4.3Å; L202-E220 VanDerWaalsContact CD1-CD 3.5Å; L202-E220 HydrophobicContact CD1-CG 4.45Å; L202-E220 WeakPolarHBondContact CD1-OE1 3.46Å; E220-Y330 HydrophobicContact CB-CD2 4.48Å; E220-Y330 HydrophobicContact CG-CD2 3.84Å; E220-Y330 HydrophobicContact CG-CE2 3.45Å; E220-Y330 VanDerWaalsContact CG-CE2 3.45Å
221L94.2Very high93.9Very high13 Ų1318.5 Ų18.57%0.06810%0.098CC..PPolyproline II helixtrans-77.5139.8179-55.4-175.3000110.6L157 R159 N214 A215 K219 D225 Y330L157-L221 HydrophobicContact CD1-CB 4.43Å; L157-L221 WeakPolarHBondContact CD1-O 3.3Å; R159-L221 HydrophobicContact CB-CD1 4.17Å; R159-L221 HydrophobicContact CG-CD1 4.13Å; N214-L221 HydrophobicContact CB-CD2 4.09Å; A215-L221 HydrophobicContact CB-CD1 4.39Å; A215-L221 HydrophobicContact CB-CD2 3.88Å; K219-L221 PolarHBondContact O-N 2.99Å; L221-D225 VanDerWaalsContact CA-OD2 3.28Å; L221-D225 WeakPolarHBondContact CA-OD2 3.35Å; L221-D225 HydrophobicContact CB-CB 4.14Å; L221-D225 HydrophobicContact CD2-CB 4.1Å; L221-Y330 VanDerWaalsContact O-CD2 3.27Å; L221-Y330 WeakPolarHBondContact O-CD2 3.34Å; L221-Y330 WeakPolarHBondContact O-CE2 3.39Å
222G95.5Very high93.9Very high1 Ų118.2 Ų18.21%0.0110%0.096CC..  trans-111-176.1170.700000112H224 D225G222-H224 PolarHBondContact O-N 3.05Å; G222-D225 PolarHBondContact N-OD2 3.07Å; G222-D225 WeakPolarHBondContact O-CB 3.49Å; G222-D225 PolarHBondContact O-N 2.87Å; G222-D225 VanDerWaalsContact O-N 3.08Å
223R97.9Very high94Very high19 Ų1918.1 Ų18.17%0.07210%0.095CC..Hα-helixtrans-61.8-30.2179.5-63.6176.1-173.1127.5-12.6112.7H152 L157 I188 D225 L227 T333 P334 Y336H152-R223 HydrophobicContact CB-CG 4.18Å; H152-R223 PolarHBondContact CE1-O 3.4Å; H152-R223 VanDerWaalsContact CE1-O 3.26Å; L157-R223 HydrophobicContact CD2-CB 4.14Å; L157-R223 HydrophobicContact CD2-CG 3.62Å; I188-R223 HydrophobicContact CD1-CG 3.91Å; R223-D225 VanDerWaalsContact C-N 3.28Å; R223-D225 PolarHBondContact O-N 3.03Å; R223-L227 PolarHBondContact O-N 2.77Å; R223-T333 PolarHBondContact NH1-OG1 3.01Å; R223-P334 HydrophobicContact CB-CG 3.69Å; R223-Y336 WeakPolarHBondContact CD-OH 3.39Å
224H96.3Very high94.3Very high6 Ų616.8 Ų16.83%0.0289%0.087CC..Hα-helixtrans-69-26.7177.663.2-71.8000112.3N214 G222 L227 I228 I325 W328N214-H224 PolarHBondContact ND2-NE2 2.87Å; G222-H224 PolarHBondContact O-N 3.05Å; H224-L227 PolarHBondContact O-N 3.21Å; H224-I228 VanDerWaalsContact O-CG1 3.3Å; H224-I228 WeakPolarHBondContact O-CG1 3.47Å; H224-I228 PolarHBondContact O-N 2.67Å; H224-I325 HydrophobicContact CB-CG2 4.1Å; H224-W328 HydrophobicContact CB-CB 3.79Å; H224-W328 HydrophobicContact CB-CE3 3.98Å; H224-W328 PolarHBondContact CD2-O 2.81Å
225D96Very high94.3Very high2 Ų215 Ų151%0.0118%0.077CC..Hα-helixtrans-70.9-36.6179.3-65.3-64.6000112.2S212 N214 L221 G222 R223 L227 I228 S229S212-D225 VanDerWaalsContact CB-OD1 3.26Å; S212-D225 WeakPolarHBondContact CB-OD1 3.49Å; S212-D225 VanDerWaalsContact OG-CG 3.31Å; S212-D225 PolarHBondContact OG-OD1 2.97Å; N214-D225 WeakPolarHBondContact CB-OD1 3.49Å; N214-D225 PolarHBondContact ND2-OD1 3.45Å; L221-D225 VanDerWaalsContact CA-OD2 3.28Å; L221-D225 WeakPolarHBondContact CA-OD2 3.35Å; L221-D225 HydrophobicContact CB-CB 4.14Å; L221-D225 HydrophobicContact CD2-CB 4.1Å; G222-D225 PolarHBondContact N-OD2 3.07Å; G222-D225 WeakPolarHBondContact O-CB 3.49Å; G222-D225 PolarHBondContact O-N 2.87Å; G222-D225 VanDerWaalsContact O-N 3.08Å; R223-D225 VanDerWaalsContact C-N 3.28Å; R223-D225 PolarHBondContact O-N 3.03Å; D225-L227 VanDerWaalsContact C-N 3.31Å; D225-I228 PolarHBondContact O-N 3.32Å; D225-S229 PolarHBondContact O-N 2.98Å; D225-S229 PolarHBondContact O-OG 3.45Å
226D98.2Very high94.3Very high2 Ų214.9 Ų14.91%0.0118%0.076CC..Hα-helixtrans-63.6-38.5170.6-76.5-22.4000111L148 H152 H158 R159 V161 S229 L230L148-D226 HydrophobicContact CD1-CB 4.22Å; L148-D226 HydrophobicContact CD2-CB 4.13Å; H152-D226 IonicContact CD2-OD2 3.42Å; H152-D226 IonicContact NE2-OD2 3.08Å; H152-D226 PolarHBondContact NE2-OD2 2.72Å; H158-D226 PolarHBondContact N-OD2 3.24Å; R159-D226 WeakPolarHBondContact CA-OD1 3.3Å; R159-D226 PolarHBondContact N-OD1 2.97Å; V161-D226 HydrophobicContact CG2-CB 3.91Å; D226-S229 WeakPolarHBondContact O-CB 3.49Å; D226-S229 PolarHBondContact O-N 3.32Å; D226-L230 PolarHBondContact O-N 3.01Å
227L98.2Very high94.6Very high4 Ų414.1 Ų14.12%0.0217%0.072CC..Hα-helixtrans-72.6-32.9177-63.8173.9000113.3V145 L148 R223 H224 D225 S229 L230 F231 I325 W328 P334 Y336 L339V145-L227 HydrophobicContact CG2-CD2 4.31Å; L148-L227 HydrophobicContact CB-CD2 4.44Å; L148-L227 HydrophobicContact CD1-CD2 3.93Å; R223-L227 PolarHBondContact O-N 2.77Å; H224-L227 PolarHBondContact O-N 3.21Å; D225-L227 VanDerWaalsContact C-N 3.31Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-L230 PolarHBondContact O-N 2.75Å; L227-F231 WeakPolarHBondContact O-CB 3.34Å; L227-F231 PolarHBondContact O-N 3.34Å; L227-I325 HydrophobicContact CB-CD1 4.46Å; L227-I325 HydrophobicContact CB-CG2 4.08Å; L227-W328 HydrophobicContact CD1-CE3 4.48Å; L227-W328 HydrophobicContact CD1-CZ3 3.77Å; L227-P334 HydrophobicContact CD1-CB 3.7Å; L227-P334 HydrophobicContact CD1-CG 3.74Å; L227-Y336 HydrophobicContact CD1-CD1 4.49Å; L227-Y336 HydrophobicContact CD1-CE1 4.15Å; L227-L339 HydrophobicContact CD1-CD2 4.05Å; L227-L339 HydrophobicContact CD2-CD2 3.94Å; L227-L339 HydrophobicContact CG-CD2 4.44Å
228I95.7Very high94.7Very high9 Ų913.8 Ų13.85%0.0467%0.068CC..Hα-helixtrans-63.9-43.4170.6-73.4165.9000109.7H224 D225 L230 F231 Y232 Y322 I325H224-I228 VanDerWaalsContact O-CG1 3.3Å; H224-I228 WeakPolarHBondContact O-CG1 3.47Å; H224-I228 PolarHBondContact O-N 2.67Å; D225-I228 PolarHBondContact O-N 3.32Å; I228-L230 VanDerWaalsContact C-N 3.34Å; I228-L230 PolarHBondContact O-N 2.8Å; I228-F231 WeakPolarHBondContact O-CB 3.48Å; I228-F231 PolarHBondContact O-N 3.45Å; I228-F231 VanDerWaalsContact O-N 3.12Å; I228-Y232 HydrophobicContact CG2-CD2 4.38Å; I228-Y232 HydrophobicContact CG2-CE1 3.89Å; I228-Y232 HydrophobicContact CG2-CE2 3.74Å; I228-Y232 VanDerWaalsContact CG2-CZ 3.46Å; I228-Y232 PolarHBondContact O-N 3.49Å; I228-Y322 HydrophobicContact CG2-CE2 4.35Å; I228-I325 HydrophobicContact CD1-CG2 4.38Å; I228-I325 HydrophobicContact CG1-CG2 3.67Å
229S97.1Very high94.6Very high8 Ų812.3 Ų12.36%0.0566%0.057CC..Hα-helixtrans-63.1-42.7178.8-540000111.2Y210 D225 D226 L227 F231 Y232 M233Y210-S229 VanDerWaalsContact O-CA 3.22Å; Y210-S229 WeakPolarHBondContact O-CA 3.35Å; Y210-S229 VanDerWaalsContact O-CB 3.31Å; Y210-S229 WeakPolarHBondContact O-CB 3.49Å; Y210-S229 PolarHBondContact O-OG 3.08Å; Y210-S229 VanDerWaalsContact O-OG 3.12Å; D225-S229 PolarHBondContact O-N 2.98Å; D225-S229 PolarHBondContact O-OG 3.45Å; D226-S229 WeakPolarHBondContact O-CB 3.49Å; D226-S229 PolarHBondContact O-N 3.32Å; L227-S229 VanDerWaalsContact C-N 3.33Å; S229-F231 VanDerWaalsContact C-N 3.35Å; S229-F231 PolarHBondContact O-N 3.45Å; S229-Y232 PolarHBondContact O-N 3.38Å; S229-M233 PolarHBondContact O-N 2.87Å
230L98.3Very high94.5Very high2 Ų28.3 Ų8.31%0.014%0.044CC..Hα-helixtrans-59.5-45.1170.9179.363.1000111.1V145 L148 V161 F166 D226 L227 I228 Y232 M233 I234V145-L230 HydrophobicContact CG2-CD2 3.71Å; L148-L230 HydrophobicContact CD1-CB 4.12Å; L148-L230 HydrophobicContact CD1-CD2 4.07Å; V161-L230 HydrophobicContact CG1-CB 4.04Å; F166-L230 HydrophobicContact CZ-CD1 4.48Å; D226-L230 PolarHBondContact O-N 3.01Å; L227-L230 PolarHBondContact O-N 2.75Å; I228-L230 VanDerWaalsContact C-N 3.34Å; I228-L230 PolarHBondContact O-N 2.8Å; L230-Y232 VanDerWaalsContact C-N 3.28Å; L230-Y232 PolarHBondContact O-N 3.13Å; L230-M233 HydrophobicContact CD1-SD 4.38Å; L230-M233 WeakPolarHBondContact O-CB 3.22Å; L230-M233 PolarHBondContact O-N 2.97Å; L230-I234 HydrophobicContact CD1-CD1 4.28Å; L230-I234 HydrophobicContact CD1-CG1 4.49Å; L230-I234 HydrophobicContact CG-CG1 4.44Å; L230-I234 WeakPolarHBondContact O-CG1 3.3Å; L230-I234 PolarHBondContact O-N 3.23Å
231F95.8Very high94.4Very high6 Ų69.4 Ų9.43%0.0265%0.053CC..Hα-helixtrans-58.2-39.7178-176.4-90000112.3L227 I228 S229 M233 I234 M235 L318 I321 Y322L227-F231 WeakPolarHBondContact O-CB 3.34Å; L227-F231 PolarHBondContact O-N 3.34Å; I228-F231 WeakPolarHBondContact O-CB 3.48Å; I228-F231 PolarHBondContact O-N 3.45Å; I228-F231 VanDerWaalsContact O-N 3.12Å; S229-F231 VanDerWaalsContact C-N 3.35Å; S229-F231 PolarHBondContact O-N 3.45Å; F231-M233 VanDerWaalsContact C-N 3.34Å; F231-M233 PolarHBondContact O-N 3.47Å; F231-I234 PolarHBondContact O-N 3.22Å; F231-M235 HydrophobicContact CD1-CG 3.82Å; F231-M235 HydrophobicContact CE1-CG 3.32Å; F231-M235 HydrophobicContact CE1-SD 3.9Å; F231-M235 HydrophobicContact CE2-CG 4.42Å; F231-M235 HydrophobicContact CE2-SD 4.26Å; F231-M235 HydrophobicContact CZ-CG 3.65Å; F231-M235 HydrophobicContact CZ-SD 3.57Å; F231-M235 VanDerWaalsContact CZ-SD 3.57Å; F231-M235 WeakPolarHBondContact O-CG 3.34Å; F231-M235 PolarHBondContact O-N 3.11Å; F231-L318 HydrophobicContact CE2-CB 4.42Å; F231-L318 WeakPolarHBondContact CE2-O 3.44Å; F231-L318 WeakPolarHBondContact CZ-O 3.44Å; F231-I321 HydrophobicContact CD2-CG2 3.99Å; F231-I321 HydrophobicContact CE2-CB 4.43Å; F231-I321 HydrophobicContact CE2-CG2 4.14Å; F231-Y322 AromaticContact CD1-CD2 3.38Å; F231-Y322 HydrophobicContact CD1-CD2 3.38Å; F231-Y322 HydrophobicContact CD1-CE2 4.16Å; F231-Y322 HydrophobicContact CD1-CG 4.13Å; F231-Y322 AromaticContact CE1-CD2 3.55Å; F231-Y322 HydrophobicContact CE1-CD2 3.55Å; F231-Y322 HydrophobicContact CE1-CE2 4.49Å; F231-Y322 AromaticContact CE1-CG 3.83Å; F231-Y322 HydrophobicContact CE1-CG 3.83Å; F231-Y322 HydrophobicContact CG-CD2 4.01Å; F231-Y322 HydrophobicContact CZ-CD2 4.3Å; F231-Y322 HydrophobicContact CZ-CG 4.25Å
232Y94.1Very high94Very high0 Ų09 Ų90%05%0.051CC..Hα-helixtrans-62-41.3174.4-64.2-15.1000112Y210 I228 S229 L230 I234 M235 E236 L242 W244 K257 L261 Y322Y210-Y232 WeakPolarHBondContact O-CD2 3.31Å; I228-Y232 HydrophobicContact CG2-CD2 4.38Å; I228-Y232 HydrophobicContact CG2-CE1 3.89Å; I228-Y232 HydrophobicContact CG2-CE2 3.74Å; I228-Y232 VanDerWaalsContact CG2-CZ 3.46Å; I228-Y232 PolarHBondContact O-N 3.49Å; S229-Y232 PolarHBondContact O-N 3.38Å; L230-Y232 VanDerWaalsContact C-N 3.28Å; L230-Y232 PolarHBondContact O-N 3.13Å; Y232-I234 PolarHBondContact O-N 3.17Å; Y232-M235 PolarHBondContact O-N 2.78Å; Y232-E236 WeakPolarHBondContact O-CB 3.32Å; Y232-E236 PolarHBondContact O-N 3.35Å; Y232-L242 WeakPolarHBondContact O-CD2 3.5Å; Y232-W244 HydrophobicContact CD1-CH2 4.01Å; Y232-W244 HydrophobicContact CD1-CZ2 4.18Å; Y232-W244 HydrophobicContact CD2-CH2 4.22Å; Y232-W244 AromaticContact CD2-CZ2 3.74Å; Y232-W244 HydrophobicContact CD2-CZ2 3.74Å; Y232-W244 AromaticContact CE1-CH2 3.93Å; Y232-W244 HydrophobicContact CE1-CH2 3.93Å; Y232-W244 HydrophobicContact CE1-CZ2 4.39Å; Y232-W244 HydrophobicContact CE2-CH2 4.11Å; Y232-W244 AromaticContact CE2-CZ2 3.96Å; Y232-W244 HydrophobicContact CE2-CZ2 3.96Å; Y232-W244 HydrophobicContact CG-CH2 4.19Å; Y232-W244 AromaticContact CG-CZ2 3.88Å; Y232-W244 HydrophobicContact CG-CZ2 3.88Å; Y232-W244 AromaticContact CZ-CH2 3.96Å; Y232-K257 HydrophobicContact CE2-CD 4.09Å; Y232-K257 HydrophobicContact CE2-CG 4.42Å; Y232-L261 HydrophobicContact CD1-CD1 4.18Å; Y232-L261 HydrophobicContact CE1-CD1 3.24Å; Y232-Y322 AromaticContact CE1-CE2 3.68Å; Y232-Y322 HydrophobicContact CE1-CE2 3.68Å; Y232-Y322 PolarHBondContact OH-OH 3.26Å
233M95.4Very high93.3Very high0 Ų09.1 Ų9.10%05%0.052CC..Hα-helixtrans-58.8-46.6173-62.4171.848.400111.7L120 V161 K162 P163 F166 Y210 S229 L230 F231 M235 E236 F237L120-M233 HydrophobicContact CD1-CE 4.12Å; V161-M233 HydrophobicContact CG1-SD 3.9Å; K162-M233 VanDerWaalsContact C-SD 3.5Å; K162-M233 VanDerWaalsContact CA-SD 3.52Å; P163-M233 HydrophobicContact CB-CE 4.36Å; P163-M233 HydrophobicContact CG-CE 4.04Å; P163-M233 HydrophobicContact CG-CG 4.1Å; P163-M233 HydrophobicContact CG-SD 4.49Å; F166-M233 HydrophobicContact CD2-CE 3.67Å; F166-M233 HydrophobicContact CD2-SD 4.15Å; F166-M233 HydrophobicContact CE2-CE 3.99Å; F166-M233 HydrophobicContact CE2-SD 3.97Å; F166-M233 HydrophobicContact CG-CE 4.46Å; Y210-M233 HydrophobicContact CD1-CG 3.73Å; Y210-M233 HydrophobicContact CE1-CG 3.94Å; Y210-M233 HydrophobicContact CG-CG 4.37Å; S229-M233 PolarHBondContact O-N 2.87Å; L230-M233 HydrophobicContact CD1-SD 4.38Å; L230-M233 WeakPolarHBondContact O-CB 3.22Å; L230-M233 PolarHBondContact O-N 2.97Å; F231-M233 VanDerWaalsContact C-N 3.34Å; F231-M233 PolarHBondContact O-N 3.47Å; M233-M235 VanDerWaalsContact C-N 3.29Å; M233-M235 PolarHBondContact O-N 3.33Å; M233-E236 PolarHBondContact O-N 2.82Å; M233-F237 HydrophobicContact CB-CE2 4.03Å; M233-F237 HydrophobicContact CB-CZ 4.28Å; M233-F237 HydrophobicContact CE-CE2 3.93Å; M233-F237 HydrophobicContact CE-CZ 3.92Å; M233-F237 WeakPolarHBondContact O-CD2 3.22Å; M233-F237 WeakPolarHBondContact O-CG 3.47Å; M233-F237 PolarHBondContact O-N 2.81Å
234I95.2Very high92.7Very high1 Ų18.3 Ų8.31%0.0055%0.049CC..Hα-helixtrans-60.6-41.4180-60.9-41000111.3T137 I140 A141 L230 F231 Y232 F237 K238 F343T137-I234 HydrophobicContact CG2-CB 4.45Å; T137-I234 HydrophobicContact CG2-CG2 3.61Å; T137-I234 WeakPolarHBondContact CG2-O 3.48Å; I140-I234 HydrophobicContact CG2-CD1 4.16Å; A141-I234 HydrophobicContact CB-CD1 3.6Å; A141-I234 HydrophobicContact CB-CG1 3.71Å; A141-I234 HydrophobicContact CB-CG2 4.38Å; L230-I234 HydrophobicContact CD1-CD1 4.28Å; L230-I234 HydrophobicContact CD1-CG1 4.49Å; L230-I234 HydrophobicContact CG-CG1 4.44Å; L230-I234 WeakPolarHBondContact O-CG1 3.3Å; L230-I234 PolarHBondContact O-N 3.23Å; F231-I234 PolarHBondContact O-N 3.22Å; Y232-I234 PolarHBondContact O-N 3.17Å; I234-F237 HydrophobicContact CD1-CD2 4.32Å; I234-K238 WeakPolarHBondContact O-CB 3.26Å; I234-K238 PolarHBondContact O-N 2.88Å; I234-K238 VanDerWaalsContact O-N 3.08Å; I234-F343 HydrophobicContact CG2-CE1 4.38Å
235M91.3Very high91.8Very high0 Ų09.7 Ų9.70%06%0.064CC..Hα-helixtrans-69.1-36.8177.4-67.7-54.5-4900112.9F231 Y232 M233 N239 W311 I314 L318F231-M235 HydrophobicContact CD1-CG 3.82Å; F231-M235 HydrophobicContact CE1-CG 3.32Å; F231-M235 HydrophobicContact CE1-SD 3.9Å; F231-M235 HydrophobicContact CE2-CG 4.42Å; F231-M235 HydrophobicContact CE2-SD 4.26Å; F231-M235 HydrophobicContact CZ-CG 3.65Å; F231-M235 HydrophobicContact CZ-SD 3.57Å; F231-M235 VanDerWaalsContact CZ-SD 3.57Å; F231-M235 WeakPolarHBondContact O-CG 3.34Å; F231-M235 PolarHBondContact O-N 3.11Å; Y232-M235 PolarHBondContact O-N 2.78Å; M233-M235 VanDerWaalsContact C-N 3.29Å; M233-M235 PolarHBondContact O-N 3.33Å; M235-N239 VanDerWaalsContact CE-ND2 3.3Å; M235-N239 WeakPolarHBondContact CE-ND2 3.23Å; M235-N239 VanDerWaalsContact O-CB 3.32Å; M235-N239 WeakPolarHBondContact O-CB 3.41Å; M235-N239 PolarHBondContact O-N 3.43Å; M235-W311 HydrophobicContact CB-CH2 3.27Å; M235-W311 HydrophobicContact CB-CZ2 3.69Å; M235-W311 HydrophobicContact CB-CZ3 4.12Å; M235-W311 HydrophobicContact CE-CE3 4.29Å; M235-W311 HydrophobicContact CE-CH2 4.07Å; M235-W311 HydrophobicContact CE-CZ2 4.43Å; M235-W311 HydrophobicContact CE-CZ3 3.97Å; M235-W311 HydrophobicContact CG-CH2 3.86Å; M235-W311 HydrophobicContact CG-CZ3 4.25Å; M235-I314 HydrophobicContact CE-CB 4.49Å; M235-I314 HydrophobicContact CE-CD1 3.7Å; M235-I314 HydrophobicContact CE-CG1 3.78Å; M235-I314 HydrophobicContact CE-CG2 3.92Å; M235-I314 HydrophobicContact SD-CG2 4.38Å; M235-L318 HydrophobicContact SD-CD1 4.18Å
236E92.1Very high91.1Very high3 Ų315.1 Ų15.11%0.01410%0.097CC..Hα-helixtrans-65-46.8174-168.3178.2-133.500111F124 R209 Y210 Y232 M233 K238 N239 G240 L242F124-E236 HydrophobicContact CE1-CG 4.11Å; F124-E236 HydrophobicContact CZ-CG 3.96Å; R209-E236 IonicContact CZ-OE1 2.63Å; R209-E236 IonicContact NH1-OE1 3.86Å; R209-E236 PolarHBondContact NH1-OE1 3.13Å; Y210-E236 VanDerWaalsContact CE1-OE2 3.23Å; Y210-E236 WeakPolarHBondContact CE1-OE2 3.14Å; Y210-E236 PolarHBondContact OH-OE2 3.18Å; Y232-E236 WeakPolarHBondContact O-CB 3.32Å; Y232-E236 PolarHBondContact O-N 3.35Å; M233-E236 PolarHBondContact O-N 2.82Å; E236-K238 VanDerWaalsContact C-N 3.3Å; E236-K238 PolarHBondContact O-N 3.04Å; E236-N239 PolarHBondContact O-N 2.8Å; E236-G240 CarbonylContact O-C 3.55Å; E236-G240 WeakPolarHBondContact O-CA 3.36Å; E236-G240 PolarHBondContact O-N 3.22Å; E236-L242 HydrophobicContact CB-CD1 4.37Å; E236-L242 HydrophobicContact CB-CD2 4.16Å; E236-L242 HydrophobicContact CB-CG 3.92Å; E236-L242 HydrophobicContact CG-CG 4.14Å
237F94.5Very high90.3Very high0 Ų022.5 Ų22.50%014%0.137CC..Hα-helixtrans-59.2-39.4177.7-64.2-23.8000112.8L120 F124 K131 F132 T137 I140 P163 M233 I234L120-F237 HydrophobicContact CB-CZ 4.06Å; L120-F237 HydrophobicContact CD1-CE2 3.94Å; L120-F237 HydrophobicContact CD1-CZ 4Å; F124-F237 HydrophobicContact CB-CD1 4.45Å; F124-F237 HydrophobicContact CB-CE1 4.12Å; F124-F237 AromaticContact CD2-CD1 3.51Å; F124-F237 HydrophobicContact CD2-CD1 3.51Å; F124-F237 HydrophobicContact CD2-CE1 4.02Å; F124-F237 AromaticContact CE2-CD1 3.79Å; F124-F237 HydrophobicContact CE2-CD1 3.79Å; F124-F237 AromaticContact CG-CD1 3.96Å; F124-F237 HydrophobicContact CG-CD1 3.96Å; F124-F237 AromaticContact CG-CE1 3.99Å; F124-F237 HydrophobicContact CG-CE1 3.99Å; F124-F237 HydrophobicContact CZ-CD1 4.44Å; K131-F237 WeakPolarHBondContact CA-O 3.44Å; F132-F237 HydrophobicContact CB-CB 4.34Å; F132-F237 HydrophobicContact CD2-CB 3.7Å; F132-F237 AromaticContact CD2-CD1 3.79Å; F132-F237 HydrophobicContact CD2-CD1 3.79Å; F132-F237 AromaticContact CD2-CD2 3.92Å; F132-F237 HydrophobicContact CD2-CD2 3.92Å; F132-F237 HydrophobicContact CD2-CE1 4.38Å; F132-F237 AromaticContact CD2-CG 3.52Å; F132-F237 HydrophobicContact CD2-CG 3.52Å; F132-F237 HydrophobicContact CE2-CB 4.45Å; F132-F237 AromaticContact CE2-CD1 3.67Å; F132-F237 HydrophobicContact CE2-CD1 3.67Å; F132-F237 HydrophobicContact CE2-CD2 4.09Å; F132-F237 AromaticContact CE2-CE1 3.81Å; F132-F237 HydrophobicContact CE2-CE1 3.81Å; F132-F237 HydrophobicContact CE2-CE2 4.23Å; F132-F237 AromaticContact CE2-CG 3.81Å; F132-F237 HydrophobicContact CE2-CG 3.81Å; F132-F237 HydrophobicContact CE2-CZ 4.09Å; F132-F237 HydrophobicContact CG-CB 4.38Å; F132-F237 PolarHBondContact N-O 3.47Å; T137-F237 HydrophobicContact CG2-CB 4.12Å; I140-F237 HydrophobicContact CD1-CD2 4.46Å; I140-F237 HydrophobicContact CD1-CE2 4.42Å; I140-F237 HydrophobicContact CG2-CD2 4.46Å; I140-F237 HydrophobicContact CG2-CE2 4.05Å; P163-F237 HydrophobicContact CB-CE1 4.21Å; P163-F237 HydrophobicContact CB-CZ 3.95Å; P163-F237 HydrophobicContact CG-CE1 3.93Å; P163-F237 HydrophobicContact CG-CZ 3.79Å; M233-F237 HydrophobicContact CB-CE2 4.03Å; M233-F237 HydrophobicContact CB-CZ 4.28Å; M233-F237 HydrophobicContact CE-CE2 3.93Å; M233-F237 HydrophobicContact CE-CZ 3.92Å; M233-F237 WeakPolarHBondContact O-CD2 3.22Å; M233-F237 WeakPolarHBondContact O-CG 3.47Å; M233-F237 PolarHBondContact O-N 2.81Å; I234-F237 HydrophobicContact CD1-CD2 4.32Å
238K91.1Very high89.4Confident48 Ų4824.2 Ų24.221%0.20915%0.146CC..Hα-helixtrans-72.1-43.6177.9-172177176.575.10113T137 I234 E236 L318 E350T137-K238 HydrophobicContact CG2-CB 4.36Å; I234-K238 WeakPolarHBondContact O-CB 3.26Å; I234-K238 PolarHBondContact O-N 2.88Å; I234-K238 VanDerWaalsContact O-N 3.08Å; E236-K238 VanDerWaalsContact C-N 3.3Å; E236-K238 PolarHBondContact O-N 3.04Å; K238-L318 HydrophobicContact CD-CD1 3.98Å; K238-E350 IonicContact NZ-OE1 2.67Å; K238-E350 PolarHBondContact NZ-OE1 3.25Å; K238-E350 IonicContact NZ-OE2 3.5Å; K238-E350 PolarHBondContact NZ-OE2 3.38Å
239N87.2Confident89Confident17 Ų1731 Ų319%0.09118%0.177CC..Hα-helixtrans-97.8-15.3-170.2-65.5-22.9000113.7K131 M235 E236 C241 W311K131-N239 WeakPolarHBondContact CE-O 3.19Å; K131-N239 PolarHBondContact NZ-O 3.02Å; M235-N239 VanDerWaalsContact CE-ND2 3.3Å; M235-N239 WeakPolarHBondContact CE-ND2 3.23Å; M235-N239 VanDerWaalsContact O-CB 3.32Å; M235-N239 WeakPolarHBondContact O-CB 3.41Å; M235-N239 PolarHBondContact O-N 3.43Å; E236-N239 PolarHBondContact O-N 2.8Å; N239-C241 PolarHBondContact O-N 2.94Å; N239-W311 PolarHBondContact ND2-NE1 3.4Å
240G89.1Confident88.5Confident17 Ų1733.7 Ų33.718%0.17519%0.188CC..SBendtrans79.2-5.8-175.600000115.9H130 E236H130-G240 WeakPolarHBondContact O-CA 3.47Å; E236-G240 CarbonylContact O-C 3.55Å; E236-G240 WeakPolarHBondContact O-CA 3.36Å; E236-G240 PolarHBondContact O-N 3.22Å
241C88.2Confident87.8Confident40 Ų4039 Ų3927%0.2722%0.217SC..SBendtrans-156.3162.1174.260.80000110.8N239 W311N239-C241 PolarHBondContact O-N 2.94Å; C241-W311 WeakPolarHBondContact O-CZ2 3.44Å; C241-W311 PolarHBondContact O-NE1 2.76Å
242L87.5Confident87.1Confident5 Ų541.4 Ų41.43%0.02623%0.232CC..  trans-96.2159.1166.9-68.5165.7000110.1R209 Y210 Y232 E236 W244 W311R209-L242 HydrophobicContact CG-CD1 3.67Å; Y210-L242 HydrophobicContact CD1-CD1 4.42Å; Y210-L242 HydrophobicContact CE1-CD1 4.21Å; Y232-L242 WeakPolarHBondContact O-CD2 3.5Å; E236-L242 HydrophobicContact CB-CD1 4.37Å; E236-L242 HydrophobicContact CB-CD2 4.16Å; E236-L242 HydrophobicContact CB-CG 3.92Å; E236-L242 HydrophobicContact CG-CG 4.14Å; L242-W244 HydrophobicContact CB-CD2 4.29Å; L242-W244 HydrophobicContact CB-CG 4.45Å; L242-W244 HydrophobicContact CB-CZ2 4.33Å; L242-W244 HydrophobicContact CD1-CZ2 4.05Å; L242-W244 HydrophobicContact CD2-CH2 4.41Å; L242-W244 HydrophobicContact CD2-CZ2 3.93Å; L242-W244 HydrophobicContact CG-CZ2 4.34Å; L242-W244 PolarHBondContact O-N 2.84Å; L242-W311 HydrophobicContact CD2-CH2 3.79Å; L242-W311 HydrophobicContact CD2-CZ2 3.75Å
243P80.5Confident86.7Confident3 Ų341.6 Ų41.62%0.01923%0.233CC..SBendtrans-64.5-26.5177.1-22.135.7000113.2A260 L306 W311P243-A260 HydrophobicContact CB-CB 4.07Å; P243-A260 HydrophobicContact CG-CB 4.16Å; P243-L306 HydrophobicContact CB-CD2 3.8Å; P243-L306 HydrophobicContact CG-CD2 3.51Å; P243-W311 HydrophobicContact CG-CD2 3.71Å; P243-W311 HydrophobicContact CG-CE3 3.76Å; P243-W311 HydrophobicContact CG-CG 4.29Å; P243-W311 HydrophobicContact CG-CH2 4.19Å; P243-W311 HydrophobicContact CG-CZ2 4.2Å; P243-W311 HydrophobicContact CG-CZ3 4Å
244W85.3Confident86.2Confident2 Ų241.7 Ų41.71%0.00823%0.234CC..SBendtrans-93.7132.5168.452.487.3000110R209 Y232 L242 D248 V253 K256 K257 A260 L261R209-W244 PolarHBondContact O-NE1 3.4Å; Y232-W244 HydrophobicContact CD1-CH2 4.01Å; Y232-W244 HydrophobicContact CD1-CZ2 4.18Å; Y232-W244 HydrophobicContact CD2-CH2 4.22Å; Y232-W244 AromaticContact CD2-CZ2 3.74Å; Y232-W244 HydrophobicContact CD2-CZ2 3.74Å; Y232-W244 AromaticContact CE1-CH2 3.93Å; Y232-W244 HydrophobicContact CE1-CH2 3.93Å; Y232-W244 HydrophobicContact CE1-CZ2 4.39Å; Y232-W244 HydrophobicContact CE2-CH2 4.11Å; Y232-W244 AromaticContact CE2-CZ2 3.96Å; Y232-W244 HydrophobicContact CE2-CZ2 3.96Å; Y232-W244 HydrophobicContact CG-CH2 4.19Å; Y232-W244 AromaticContact CG-CZ2 3.88Å; Y232-W244 HydrophobicContact CG-CZ2 3.88Å; Y232-W244 AromaticContact CZ-CH2 3.96Å; L242-W244 HydrophobicContact CB-CD2 4.29Å; L242-W244 HydrophobicContact CB-CG 4.45Å; L242-W244 HydrophobicContact CB-CZ2 4.33Å; L242-W244 HydrophobicContact CD1-CZ2 4.05Å; L242-W244 HydrophobicContact CD2-CH2 4.41Å; L242-W244 HydrophobicContact CD2-CZ2 3.93Å; L242-W244 HydrophobicContact CG-CZ2 4.34Å; L242-W244 PolarHBondContact O-N 2.84Å; W244-D248 WeakPolarHBondContact CA-OD2 3.37Å; W244-V253 HydrophobicContact CB-CG1 4.32Å; W244-V253 HydrophobicContact CB-CG2 4.4Å; W244-V253 HydrophobicContact CG-CG1 3.97Å; W244-K256 HydrophobicContact CB-CB 4Å; W244-K256 HydrophobicContact CB-CD 3.8Å; W244-K256 HydrophobicContact CE3-CB 4.3Å; W244-K257 HydrophobicContact CD2-CG 3.83Å; W244-K257 HydrophobicContact CE3-CG 3.61Å; W244-K257 HydrophobicContact CH2-CD 4.46Å; W244-K257 HydrophobicContact CH2-CG 3.59Å; W244-K257 HydrophobicContact CZ2-CD 4.24Å; W244-K257 HydrophobicContact CZ2-CG 3.8Å; W244-K257 HydrophobicContact CZ3-CB 4.26Å; W244-K257 HydrophobicContact CZ3-CG 3.49Å; W244-K257 VanDerWaalsContact CZ3-CG 3.49Å; W244-A260 HydrophobicContact CZ3-CB 4.46Å; W244-L261 HydrophobicContact CH2-CD1 3.75Å; W244-L261 HydrophobicContact CZ3-CD1 3.97Å
245G77.2Confident85.6Confident34 Ų3446.1 Ų46.135%0.35126%0.258SS..  trans-85175.7-174.400000114N247 D248G245-N247 VanDerWaalsContact C-N 3.32Å; G245-D248 PolarHBondContact N-OD2 2.78Å
246V80.2Confident85.1Confident116 Ų11648.5 Ų48.570%0.70327%0.268SS*.THydrogen-bonded Turntrans-65.3-37.9174.3-1640000111.3R209R209-V246 VanDerWaalsContact NH2-N 3.11Å
247N81.9Confident84.7Confident157 Ų15748.3 Ų48.384%0.8427%0.267SS*.THydrogen-bonded Turntrans-96.26-171.4-57.6-25.8000113G245G245-N247 VanDerWaalsContact C-N 3.32Å
248D80.9Confident84Confident41 Ų4152 Ų5222%0.21928%0.284CS..  trans-70139175.3-76.6-24.9000109.4W244 G245 V252 V253 K256W244-D248 WeakPolarHBondContact CA-OD2 3.37Å; G245-D248 PolarHBondContact N-OD2 2.78Å; D248-V252 HydrophobicContact CB-CB 4.43Å; D248-V252 HydrophobicContact CB-CG1 4.18Å; D248-V253 HydrophobicContact CB-CG2 3.58Å; D248-K256 IonicContact OD1-NZ 2.82Å; D248-K256 PolarHBondContact OD1-NZ 3.5Å; D248-K256 WeakPolarHBondContact OD2-CD 3.5Å; D248-K256 WeakPolarHBondContact OD2-CE 3.03Å; D248-K256 IonicContact OD2-NZ 3.58Å; D248-K256 PolarHBondContact OD2-NZ 2.97Å
249E85.4Confident83Confident150 Ų15052.4 Ų52.470%0.70129%0.29SS*.  trans-65.4153.9174.5-62.9178.3-177.800111.5D251 V252 V253E249-D251 VanDerWaalsContact C-N 3.33Å; E249-D251 PolarHBondContact O-N 3.08Å; E249-V252 HydrophobicContact CB-CB 4.45Å; E249-V252 HydrophobicContact CB-CG2 4.09Å; E249-V252 WeakPolarHBondContact O-CA 3.15Å; E249-V252 WeakPolarHBondContact O-CB 3.3Å; E249-V252 PolarHBondContact O-N 3.4Å; E249-V253 PolarHBondContact O-N 2.69Å
250F86.8Confident81.8Confident65 Ų6551.8 Ų51.829%0.28529%0.287SS..Hα-helixtrans-46-52.3-176.9177.2-97.7000113.5F204 E208 H216 V252 V253 G254F204-F250 HydrophobicContact CB-CE2 4.09Å; F204-F250 HydrophobicContact CB-CZ 3.93Å; F204-F250 AromaticContact CD1-CE2 3.89Å; F204-F250 HydrophobicContact CD1-CE2 3.89Å; F204-F250 AromaticContact CD2-CE2 3.45Å; F204-F250 HydrophobicContact CD2-CE2 3.45Å; F204-F250 VanDerWaalsContact CD2-CE2 3.45Å; F204-F250 AromaticContact CD2-CZ 3.6Å; F204-F250 HydrophobicContact CD2-CZ 3.6Å; F204-F250 HydrophobicContact CE1-CE2 4.2Å; F204-F250 AromaticContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CZ 4.3Å; F204-F250 AromaticContact CG-CE2 3.52Å; F204-F250 HydrophobicContact CG-CE2 3.52Å; F204-F250 AromaticContact CG-CZ 3.77Å; F204-F250 HydrophobicContact CG-CZ 3.77Å; F204-F250 HydrophobicContact CZ-CE2 4.2Å; E208-F250 HydrophobicContact CG-CD2 3.83Å; E208-F250 HydrophobicContact CG-CE2 4.18Å; H216-F250 AromaticContact CE1-CE2 3.86Å; H216-F250 AromaticContact ND1-CE2 3.77Å; H216-F250 AromaticContact ND1-CZ 3.69Å; F250-V252 PolarHBondContact O-N 3.09Å; F250-V253 PolarHBondContact O-N 3.3Å; F250-G254 PolarHBondContact O-N 3.16Å
251D84.2Confident80.4Confident115 Ų11551.8 Ų51.862%0.61528%0.283SS*.Hα-helixtrans-67.2-36.8-179.1-68.1-34.5000111.9E249 V253 G254 D255E249-D251 VanDerWaalsContact C-N 3.33Å; E249-D251 PolarHBondContact O-N 3.08Å; D251-V253 VanDerWaalsContact C-N 3.35Å; D251-V253 PolarHBondContact O-N 2.89Å; D251-G254 PolarHBondContact O-N 3.31Å; D251-D255 PolarHBondContact O-N 3.43Å
252V82.2Confident78.6Confident55 Ų5553.4 Ų53.433%0.33329%0.291SS..Hα-helixtrans-64.1-40.4177177.70000110.9D248 E249 F250 D255 K256D248-V252 HydrophobicContact CB-CB 4.43Å; D248-V252 HydrophobicContact CB-CG1 4.18Å; E249-V252 HydrophobicContact CB-CB 4.45Å; E249-V252 HydrophobicContact CB-CG2 4.09Å; E249-V252 WeakPolarHBondContact O-CA 3.15Å; E249-V252 WeakPolarHBondContact O-CB 3.3Å; E249-V252 PolarHBondContact O-N 3.4Å; F250-V252 PolarHBondContact O-N 3.09Å; V252-D255 PolarHBondContact O-N 3.16Å; V252-K256 HydrophobicContact CG1-CD 4.08Å; V252-K256 HydrophobicContact CG1-CG 4.32Å; V252-K256 WeakPolarHBondContact O-CB 3.22Å; V252-K256 VanDerWaalsContact O-CG 3.31Å; V252-K256 WeakPolarHBondContact O-CG 3.27Å; V252-K256 PolarHBondContact O-N 2.79Å
253V84.4Confident76.6Confident4 Ų453.3 Ų53.32%0.02429%0.292CS..Hα-helixtrans-61.9-46174.9175.70000110.5W244 D248 E249 F250 D251 D255 K256 K257W244-V253 HydrophobicContact CB-CG1 4.32Å; W244-V253 HydrophobicContact CB-CG2 4.4Å; W244-V253 HydrophobicContact CG-CG1 3.97Å; D248-V253 HydrophobicContact CB-CG2 3.58Å; E249-V253 PolarHBondContact O-N 2.69Å; F250-V253 PolarHBondContact O-N 3.3Å; D251-V253 VanDerWaalsContact C-N 3.35Å; D251-V253 PolarHBondContact O-N 2.89Å; V253-D255 PolarHBondContact O-N 3.07Å; V253-K256 PolarHBondContact O-N 2.8Å; V253-K257 HydrophobicContact CG1-CD 4.11Å; V253-K257 VanDerWaalsContact O-CG 3.3Å; V253-K257 WeakPolarHBondContact O-CG 3.36Å; V253-K257 PolarHBondContact O-N 2.76Å
254G85.7Confident75.2Confident3 Ų354.9 Ų54.93%0.03130%0.297CS..Hα-helixtrans-58.6-45.3176.800000112.6F250 D251 K257 K258F250-G254 PolarHBondContact O-N 3.16Å; D251-G254 PolarHBondContact O-N 3.31Å; G254-K257 PolarHBondContact O-N 2.79Å; G254-K258 WeakPolarHBondContact O-CG 3.44Å; G254-K258 PolarHBondContact O-N 3.47Å; G254-K258 VanDerWaalsContact O-N 3.08Å
255D81.7Confident73.2Confident93 Ų9357.8 Ų57.850%0.49731%0.313SS..Hα-helixtrans-69.5-41.3178.9-77.7-12.3000112.7D251 V252 V253 K257 K258 T259D251-D255 PolarHBondContact O-N 3.43Å; V252-D255 PolarHBondContact O-N 3.16Å; V253-D255 PolarHBondContact O-N 3.07Å; D255-K257 VanDerWaalsContact C-N 3.28Å; D255-K257 PolarHBondContact O-N 3.12Å; D255-K258 PolarHBondContact O-N 3.26Å; D255-T259 WeakPolarHBondContact O-CB 3.47Å; D255-T259 WeakPolarHBondContact O-CG2 3.37Å; D255-T259 PolarHBondContact O-N 3.34Å; D255-T259 PolarHBondContact O-OG1 2.83Å
256K81.5Confident71.3Confident50 Ų5060.6 Ų60.622%0.21732%0.319CS..Hα-helixtrans-60.8-37.2172.9-77.2-178-178.1-179.60111.5W244 D248 V252 V253 T259 A260W244-K256 HydrophobicContact CB-CB 4Å; W244-K256 HydrophobicContact CB-CD 3.8Å; W244-K256 HydrophobicContact CE3-CB 4.3Å; D248-K256 IonicContact OD1-NZ 2.82Å; D248-K256 PolarHBondContact OD1-NZ 3.5Å; D248-K256 WeakPolarHBondContact OD2-CD 3.5Å; D248-K256 WeakPolarHBondContact OD2-CE 3.03Å; D248-K256 IonicContact OD2-NZ 3.58Å; D248-K256 PolarHBondContact OD2-NZ 2.97Å; V252-K256 HydrophobicContact CG1-CD 4.08Å; V252-K256 HydrophobicContact CG1-CG 4.32Å; V252-K256 WeakPolarHBondContact O-CB 3.22Å; V252-K256 VanDerWaalsContact O-CG 3.31Å; V252-K256 WeakPolarHBondContact O-CG 3.27Å; V252-K256 PolarHBondContact O-N 2.79Å; V253-K256 PolarHBondContact O-N 2.8Å; K256-T259 WeakPolarHBondContact CA-OG1 3.45Å; K256-T259 PolarHBondContact O-N 2.98Å; K256-T259 PolarHBondContact O-OG1 3.46Å; K256-A260 WeakPolarHBondContact O-CA 3.28Å; K256-A260 WeakPolarHBondContact O-CB 3.38Å; K256-A260 PolarHBondContact O-N 3Å
257K83.6Confident69.5Low0 Ų056 Ų560%029%0.291CS..Hα-helixtrans-65.4-44.4174.5-75.2169.5175.4-175.30112.4E208 R209 A211 V213 Y232 W244 V253 G254 D255 T259E208-K257 PolarHBondContact O-NZ 3.11Å; R209-K257 VanDerWaalsContact C-NZ 3.35Å; R209-K257 WeakPolarHBondContact O-CE 3.33Å; R209-K257 PolarHBondContact O-NZ 2.88Å; A211-K257 PolarHBondContact O-NZ 3Å; V213-K257 HydrophobicContact CG2-CB 3.64Å; Y232-K257 HydrophobicContact CE2-CD 4.09Å; Y232-K257 HydrophobicContact CE2-CG 4.42Å; W244-K257 HydrophobicContact CD2-CG 3.83Å; W244-K257 HydrophobicContact CE3-CG 3.61Å; W244-K257 HydrophobicContact CH2-CD 4.46Å; W244-K257 HydrophobicContact CH2-CG 3.59Å; W244-K257 HydrophobicContact CZ2-CD 4.24Å; W244-K257 HydrophobicContact CZ2-CG 3.8Å; W244-K257 HydrophobicContact CZ3-CB 4.26Å; W244-K257 HydrophobicContact CZ3-CG 3.49Å; W244-K257 VanDerWaalsContact CZ3-CG 3.49Å; V253-K257 HydrophobicContact CG1-CD 4.11Å; V253-K257 VanDerWaalsContact O-CG 3.3Å; V253-K257 WeakPolarHBondContact O-CG 3.36Å; V253-K257 PolarHBondContact O-N 2.76Å; G254-K257 PolarHBondContact O-N 2.79Å; D255-K257 VanDerWaalsContact C-N 3.28Å; D255-K257 PolarHBondContact O-N 3.12Å; K257-T259 VanDerWaalsContact C-N 3.26Å; K257-T259 PolarHBondContact O-N 3.36Å
258K79.1Confident67.5Low78 Ų7851.9 Ų51.934%0.33927%0.268SS..Hα-helixtrans-61.5-35.5176.2-71.4167.1-175.4172.30111.6V213 D217 G254 D255 V262V213-K258 HydrophobicContact CG1-CD 4.26Å; V213-K258 HydrophobicContact CG1-CG 3.61Å; V213-K258 HydrophobicContact CG2-CG 4.21Å; D217-K258 WeakPolarHBondContact OD1-CE 3.46Å; D217-K258 IonicContact OD1-NZ 2.74Å; D217-K258 PolarHBondContact OD1-NZ 3.4Å; G254-K258 WeakPolarHBondContact O-CG 3.44Å; G254-K258 PolarHBondContact O-N 3.47Å; G254-K258 VanDerWaalsContact O-N 3.08Å; D255-K258 PolarHBondContact O-N 3.26Å; K258-V262 WeakPolarHBondContact O-CB 3.34Å; K258-V262 WeakPolarHBondContact O-CG2 3.3Å
259T69.9Low65.4Low56 Ų5654.2 Ų54.234%0.34429%0.287SS..Hα-helixtrans-94.6-44.7-174.349.60000114D255 K256 K257 L261 G263 M302D255-T259 WeakPolarHBondContact O-CB 3.47Å; D255-T259 WeakPolarHBondContact O-CG2 3.37Å; D255-T259 PolarHBondContact O-N 3.34Å; D255-T259 PolarHBondContact O-OG1 2.83Å; K256-T259 WeakPolarHBondContact CA-OG1 3.45Å; K256-T259 PolarHBondContact O-N 2.98Å; K256-T259 PolarHBondContact O-OG1 3.46Å; K257-T259 VanDerWaalsContact C-N 3.26Å; K257-T259 PolarHBondContact O-N 3.36Å; T259-L261 PolarHBondContact O-N 3.2Å; T259-G263 WeakPolarHBondContact O-CA 3.46Å; T259-G263 PolarHBondContact O-N 3.12Å; T259-M302 WeakPolarHBondContact OG1-CE 3.25Å
260A63.4Low63.1Low4 Ų452.2 Ų52.23%0.03329%0.285CS..Hα-helixtrans-62.8-39.1-175.900000113.2P243 W244 K256 M302 L306P243-A260 HydrophobicContact CB-CB 4.07Å; P243-A260 HydrophobicContact CG-CB 4.16Å; W244-A260 HydrophobicContact CZ3-CB 4.46Å; K256-A260 WeakPolarHBondContact O-CA 3.28Å; K256-A260 WeakPolarHBondContact O-CB 3.38Å; K256-A260 PolarHBondContact O-N 3Å; A260-M302 VanDerWaalsContact CA-SD 3.52Å; A260-M302 HydrophobicContact CB-CE 4.05Å; A260-M302 HydrophobicContact CB-SD 3.54Å; A260-M302 VanDerWaalsContact CB-SD 3.54Å; A260-L306 HydrophobicContact CB-CD2 4.38Å
261L59Low60.7Low17 Ų1751.5 Ų51.59%0.08928%0.284CS..Hα-helixtrans-98.6-32.3-172.2-71.8160.5000113.1Y232 W244 T259 W311 Y322Y232-L261 HydrophobicContact CD1-CD1 4.18Å; Y232-L261 HydrophobicContact CE1-CD1 3.24Å; W244-L261 HydrophobicContact CH2-CD1 3.75Å; W244-L261 HydrophobicContact CZ3-CD1 3.97Å; T259-L261 PolarHBondContact O-N 3.2Å; L261-W311 HydrophobicContact CD2-CZ3 4.38Å; L261-Y322 HydrophobicContact CB-CD1 4.3Å; L261-Y322 HydrophobicContact CB-CE1 3.5Å; L261-Y322 VanDerWaalsContact CB-CE1 3.5Å; L261-Y322 HydrophobicContact CD1-CE1 4.26Å; L261-Y322 HydrophobicContact CD1-CE2 3.98Å; L261-Y322 WeakPolarHBondContact CD1-OH 3.34Å; L261-Y322 HydrophobicContact CD2-CD1 4.22Å; L261-Y322 HydrophobicContact CD2-CE1 4.1Å; L261-Y322 HydrophobicContact CD2-CE2 4.44Å; L261-Y322 HydrophobicContact CD2-CG 4.47Å; L261-Y322 HydrophobicContact CG-CE1 4.17Å
262V49.8Very low58.5Low73 Ų7350.2 Ų50.244%0.44228%0.283SS..Hα-helixtrans-78.4-36.8171.2-174.30000110.6K258 R264 L265 L266K258-V262 WeakPolarHBondContact O-CB 3.34Å; K258-V262 WeakPolarHBondContact O-CG2 3.3Å; V262-R264 PolarHBondContact O-N 3.29Å; V262-L265 PolarHBondContact O-N 3.11Å; V262-L266 HydrophobicContact CG1-CD1 3.71Å; V262-L266 HydrophobicContact CG1-CG 4.28Å; V262-L266 WeakPolarHBondContact O-CB 3.21Å; V262-L266 PolarHBondContact O-N 3.35Å
263G46.4Very low56.7Low3 Ų352.2 Ų52.23%0.03130%0.298CS..Hα-helixtrans-62.1-41.2-178.900000112.9T259 L267T259-G263 WeakPolarHBondContact O-CA 3.46Å; T259-G263 PolarHBondContact O-N 3.12Å; G263-L267 WeakPolarHBondContact O-CB 3.34Å; G263-L267 WeakPolarHBondContact O-CD1 3.48Å; G263-L267 PolarHBondContact O-N 2.59Å
264R49.9Very low54.9Low37 Ų3757 Ų5714%0.1433%0.331CS..Hα-helixtrans-68.4-40.7171.3-90.5-167.5-175.5-132.3-4.4114.3V262 L266 L267 L268 L306 W311 T312V262-R264 PolarHBondContact O-N 3.29Å; R264-L266 VanDerWaalsContact C-N 3.28Å; R264-L266 PolarHBondContact O-N 2.76Å; R264-L267 PolarHBondContact O-N 3.19Å; R264-L268 PolarHBondContact O-N 3.28Å; R264-L306 HydrophobicContact CG-CD1 3.98Å; R264-W311 PolarHBondContact NH1-O 3.3Å; R264-W311 VanDerWaalsContact NH2-C 3.34Å; R264-W311 PolarHBondContact NH2-O 3.07Å; R264-T312 PolarHBondContact NH1-O 3.49Å
265L43.8Very low53.1Low63 Ų6360.6 Ų60.633%0.3335%0.349SS..Hα-helixtrans-66.5-35.1-177.7-143.282000111.5V262 S269 A323V262-L265 PolarHBondContact O-N 3.11Å; L265-S269 PolarHBondContact O-N 2.82Å; L265-A323 HydrophobicContact CD1-CB 3.74Å; L265-A323 HydrophobicContact CD2-CB 3.56Å; L265-A323 HydrophobicContact CG-CB 4.22Å
266L38.1Very low51.6Low92 Ų9264 Ų6448%0.48236%0.362SS..Hα-helixtrans-71.6-43.1172.8-76.3166.7000111.9V262 R264 S269 T270V262-L266 HydrophobicContact CG1-CD1 3.71Å; V262-L266 HydrophobicContact CG1-CG 4.28Å; V262-L266 WeakPolarHBondContact O-CB 3.21Å; V262-L266 PolarHBondContact O-N 3.35Å; R264-L266 VanDerWaalsContact C-N 3.28Å; R264-L266 PolarHBondContact O-N 2.76Å; L266-S269 PolarHBondContact O-N 3.4Å; L266-S269 PolarHBondContact O-OG 3.1Å; L266-T270 PolarHBondContact O-N 3.5Å; L266-T270 PolarHBondContact O-OG1 3.39Å
267L41.4Very low50Low21 Ų2165.4 Ų65.411%0.1137%0.372CS..Hα-helixtrans-63.2-43.4178.6-109.8116.8000112.8G263 R264 S269 T270 I271 M279 M299 L303G263-L267 WeakPolarHBondContact O-CB 3.34Å; G263-L267 WeakPolarHBondContact O-CD1 3.48Å; G263-L267 PolarHBondContact O-N 2.59Å; R264-L267 PolarHBondContact O-N 3.19Å; L267-S269 VanDerWaalsContact C-N 3.27Å; L267-S269 PolarHBondContact O-N 3.28Å; L267-T270 PolarHBondContact O-N 3.03Å; L267-T270 VanDerWaalsContact O-N 3.11Å; L267-T270 PolarHBondContact O-OG1 2.92Å; L267-I271 HydrophobicContact CD2-CD1 3.78Å; L267-I271 HydrophobicContact CG-CD1 4.19Å; L267-I271 PolarHBondContact O-N 3.24Å; L267-M279 HydrophobicContact CD2-CG 4.34Å; L267-M279 HydrophobicContact CD2-SD 3.63Å; L267-M299 HydrophobicContact CD1-CE 4.25Å; L267-M299 HydrophobicContact CD1-CG 3.3Å; L267-M299 HydrophobicContact CD1-SD 3.38Å; L267-M299 WeakPolarHBondContact CD1-SD 3.44Å; L267-L303 HydrophobicContact CD1-CD1 4.39Å; L267-L303 HydrophobicContact CD2-CD1 4.15Å
268L41.4Very low48.4Very low70 Ų7072.1 Ų72.137%0.36640%0.399SS..Hα-helixtrans-74.1-17.9-178.1-71.8169.4000113.8R264 T270 P273R264-L268 PolarHBondContact O-N 3.28Å; L268-T270 VanDerWaalsContact C-N 3.33Å; L268-P273 HydrophobicContact CD2-CG 3.71Å
269S36.9Very low46.9Very low89 Ų8970.8 Ų70.862%0.62239%0.394SS*.Hα-helixtrans-80.1-16.1170.770.90000113.4L265 L266 L267L265-S269 PolarHBondContact O-N 2.82Å; L266-S269 PolarHBondContact O-N 3.4Å; L266-S269 PolarHBondContact O-OG 3.1Å; L267-S269 VanDerWaalsContact C-N 3.27Å; L267-S269 PolarHBondContact O-N 3.28Å
270T37Very low45.7Very low108 Ų10875.2 Ų75.266%0.66341%0.406SS*.Hα-helixtrans-120.3-23-173.447.60000114.3L266 L267 L268L266-T270 PolarHBondContact O-N 3.5Å; L266-T270 PolarHBondContact O-OG1 3.39Å; L267-T270 PolarHBondContact O-N 3.03Å; L267-T270 VanDerWaalsContact O-N 3.11Å; L267-T270 PolarHBondContact O-OG1 2.92Å; L268-T270 VanDerWaalsContact C-N 3.33Å
271I36.2Very low44.9Very low50 Ų5080.8 Ų80.826%0.25643%0.429SS..SBendtrans-128.3113.6-173.8-56.9176.1000108.2L267 M279L267-I271 HydrophobicContact CD2-CD1 3.78Å; L267-I271 HydrophobicContact CG-CD1 4.19Å; L267-I271 PolarHBondContact O-N 3.24Å; I271-M279 HydrophobicContact CD1-CG 4.45Å; I271-M279 HydrophobicContact CG2-CB 4.31Å; I271-M279 HydrophobicContact CG2-CG 4.21Å
272C37.6Very low44.3Very low88 Ų8882.9 Ų82.960%0.59544%0.443SS*.  trans-59.6128.1176.6-163.40000109.5S274C272-S274 PolarHBondContact O-N 3.21Å; C272-S274 PolarHBondContact SG-OG 2.92Å
273P43.5Very low44.2Very low98 Ų9880.9 Ų80.964%0.63643%0.429SS*.THydrogen-bonded Turntrans-63.6-9179.9-2130.2000115.2L268 D275L268-P273 HydrophobicContact CD2-CG 3.71Å; P273-D275 PolarHBondContact O-N 3.45Å
274S47.8Very low44.2Very low103 Ų10383.9 Ų83.972%0.7245%0.447SS*.THydrogen-bonded Turntrans-75.5-1.9-173.156.80000114.3C272C272-S274 PolarHBondContact O-N 3.21Å; C272-S274 PolarHBondContact SG-OG 2.92Å
275D47.8Very low44Very low79 Ų7984.7 Ų84.742%0.42246%0.461SS..  trans-14372.6-173.8-147.3-21.9000110.5P273 D277 Y278 M279P273-D275 PolarHBondContact O-N 3.45Å; D275-D277 PolarHBondContact O-N 2.78Å; D275-Y278 VanDerWaalsContact CG-CB 3.45Å; D275-Y278 PolarHBondContact O-N 3.32Å; D275-Y278 VanDerWaalsContact O-N 3.16Å; D275-Y278 PolarHBondContact OD1-N 3.39Å; D275-Y278 VanDerWaalsContact OD1-N 3.11Å; D275-M279 PolarHBondContact O-N 3.16Å; D275-M279 VanDerWaalsContact O-N 3.07Å
276E49.4Very low44.2Very low165 Ų16582.4 Ų82.477%0.77145%0.451SS*.Hα-helixtrans-52.1-32.7170.9-73.2-173.8157.500111.2M279 Y280E276-M279 PolarHBondContact O-N 3.1Å; E276-Y280 WeakPolarHBondContact O-CB 3.41Å; E276-Y280 PolarHBondContact O-N 2.76Å
277D47.8Very low44.4Very low80 Ų8084.4 Ų84.443%0.42846%0.456SS..Hα-helixtrans-72.1-41.9178.3-172.348.2000112.2D275 M279 Y280 K281D275-D277 PolarHBondContact O-N 2.78Å; D277-M279 VanDerWaalsContact C-N 3.3Å; D277-M279 PolarHBondContact O-N 3.03Å; D277-Y280 PolarHBondContact O-N 2.84Å; D277-K281 WeakPolarHBondContact O-CB 3.27Å; D277-K281 VanDerWaalsContact O-CG 3.26Å; D277-K281 WeakPolarHBondContact O-CG 3.39Å; D277-K281 PolarHBondContact O-N 3.23Å; D277-K281 WeakPolarHBondContact OD1-CE 3.42Å; D277-K281 IonicContact OD1-NZ 2.76Å; D277-K281 WeakPolarHBondContact OD2-CE 3.4Å; D277-K281 IonicContact OD2-NZ 3.03Å; D277-K281 PolarHBondContact OD2-NZ 2.82Å
278Y50.6Low44.9Very low140 Ų14088.8 Ų88.855%0.54948%0.484SS..Hα-helixtrans-62.4-37.9171.8-174.7-97.1000112.4D275 K281 T282D275-Y278 VanDerWaalsContact CG-CB 3.45Å; D275-Y278 PolarHBondContact O-N 3.32Å; D275-Y278 VanDerWaalsContact O-N 3.16Å; D275-Y278 PolarHBondContact OD1-N 3.39Å; D275-Y278 VanDerWaalsContact OD1-N 3.11Å; Y278-K281 PolarHBondContact O-N 3.48Å; Y278-T282 WeakPolarHBondContact CE1-OG1 3.43Å; Y278-T282 WeakPolarHBondContact O-CB 3.42Å; Y278-T282 PolarHBondContact O-N 3.46Å; Y278-T282 PolarHBondContact O-OG1 2.69Å
279M46.6Very low45.2Very low50 Ų5091 Ų9125%0.24650%0.496CS..Hα-helixtrans-65.2-45.5175.5-164.3-168.765.300110.8L267 I271 D275 E276 D277 I283 L303L267-M279 HydrophobicContact CD2-CG 4.34Å; L267-M279 HydrophobicContact CD2-SD 3.63Å; I271-M279 HydrophobicContact CD1-CG 4.45Å; I271-M279 HydrophobicContact CG2-CB 4.31Å; I271-M279 HydrophobicContact CG2-CG 4.21Å; D275-M279 PolarHBondContact O-N 3.16Å; D275-M279 VanDerWaalsContact O-N 3.07Å; E276-M279 PolarHBondContact O-N 3.1Å; D277-M279 VanDerWaalsContact C-N 3.3Å; D277-M279 PolarHBondContact O-N 3.03Å; M279-I283 HydrophobicContact CG-CD1 3.81Å; M279-I283 WeakPolarHBondContact O-CB 3.12Å; M279-I283 WeakPolarHBondContact O-CD1 3.41Å; M279-I283 WeakPolarHBondContact O-CG1 3.31Å; M279-I283 PolarHBondContact O-N 3.47Å; M279-I283 VanDerWaalsContact O-N 3.09Å; M279-L303 HydrophobicContact CE-CD1 4.01Å; M279-L303 HydrophobicContact SD-CD1 4.03Å
280Y46.1Very low46Very low150 Ų15090.5 Ų90.559%0.58849%0.492SS*.Hα-helixtrans-58.3-47.9173.7-173.1-97.7000111.3E276 D277 I283 V284E276-Y280 WeakPolarHBondContact O-CB 3.41Å; E276-Y280 PolarHBondContact O-N 2.76Å; D277-Y280 PolarHBondContact O-N 2.84Å; Y280-I283 PolarHBondContact O-N 2.76Å; Y280-V284 HydrophobicContact CD1-CG2 3.99Å; Y280-V284 HydrophobicContact CD2-CG2 4.48Å; Y280-V284 HydrophobicContact CE1-CG2 3.76Å; Y280-V284 HydrophobicContact CE2-CG2 4.27Å; Y280-V284 HydrophobicContact CG-CG2 4.34Å; Y280-V284 VanDerWaalsContact O-CB 3.32Å; Y280-V284 WeakPolarHBondContact O-CB 3.46Å; Y280-V284 WeakPolarHBondContact O-CG2 3.28Å; Y280-V284 PolarHBondContact O-N 3.03Å
281K45.5Very low46.8Very low121 Ų12192.6 Ų92.653%0.52650%0.5SS..Hα-helixtrans-65-42.9-179-75.7170175.7169.10113.3D277 Y278 I283 A285D277-K281 WeakPolarHBondContact O-CB 3.27Å; D277-K281 VanDerWaalsContact O-CG 3.26Å; D277-K281 WeakPolarHBondContact O-CG 3.39Å; D277-K281 PolarHBondContact O-N 3.23Å; D277-K281 WeakPolarHBondContact OD1-CE 3.42Å; D277-K281 IonicContact OD1-NZ 2.76Å; D277-K281 WeakPolarHBondContact OD2-CE 3.4Å; D277-K281 IonicContact OD2-NZ 3.03Å; D277-K281 PolarHBondContact OD2-NZ 2.82Å; Y278-K281 PolarHBondContact O-N 3.48Å; K281-I283 VanDerWaalsContact C-N 3.34Å; K281-A285 WeakPolarHBondContact O-CB 3.32Å; K281-A285 PolarHBondContact O-N 2.8Å
282T46.9Very low47.5Very low60 Ų60100.7 Ų100.737%0.36853%0.527SS..Hα-helixtrans-66.5-37.8178.9-54.10000111.2Y278 A286Y278-T282 WeakPolarHBondContact CE1-OG1 3.43Å; Y278-T282 WeakPolarHBondContact O-CB 3.42Å; Y278-T282 PolarHBondContact O-N 3.46Å; Y278-T282 PolarHBondContact O-OG1 2.69Å; T282-A286 PolarHBondContact O-N 3.46Å; T282-A286 VanDerWaalsContact O-N 3.12Å
283I47Very low47.9Very low31 Ų3198.4 Ų98.416%0.15951%0.509CS..Hα-helixtrans-77.5-39.7179.8-65.3170.9000111.5M279 Y280 K281 A285 A286 F287 W300 L303M279-I283 HydrophobicContact CG-CD1 3.81Å; M279-I283 WeakPolarHBondContact O-CB 3.12Å; M279-I283 WeakPolarHBondContact O-CD1 3.41Å; M279-I283 WeakPolarHBondContact O-CG1 3.31Å; M279-I283 PolarHBondContact O-N 3.47Å; M279-I283 VanDerWaalsContact O-N 3.09Å; Y280-I283 PolarHBondContact O-N 2.76Å; K281-I283 VanDerWaalsContact C-N 3.34Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A286 WeakPolarHBondContact O-CB 3.26Å; I283-A286 PolarHBondContact O-N 3.45Å; I283-A286 VanDerWaalsContact O-N 3.16Å; I283-F287 PolarHBondContact O-N 2.87Å; I283-W300 HydrophobicContact CG2-CB 4.08Å; I283-W300 HydrophobicContact CG2-CG 4.21Å; I283-L303 HydrophobicContact CD1-CD1 4.21Å
284V46.7Very low48.8Very low67 Ų6798.7 Ų98.741%0.40651%0.505SS..Hα-helixtrans-62.6-41.7172.1170.10000110.7Y280 A286 F287 V288Y280-V284 HydrophobicContact CD1-CG2 3.99Å; Y280-V284 HydrophobicContact CD2-CG2 4.48Å; Y280-V284 HydrophobicContact CE1-CG2 3.76Å; Y280-V284 HydrophobicContact CE2-CG2 4.27Å; Y280-V284 HydrophobicContact CG-CG2 4.34Å; Y280-V284 VanDerWaalsContact O-CB 3.32Å; Y280-V284 WeakPolarHBondContact O-CB 3.46Å; Y280-V284 WeakPolarHBondContact O-CG2 3.28Å; Y280-V284 PolarHBondContact O-N 3.03Å; V284-A286 PolarHBondContact O-N 3.04Å; V284-F287 WeakPolarHBondContact O-CB 3.32Å; V284-F287 PolarHBondContact O-N 3.48Å; V284-F287 VanDerWaalsContact O-N 3.14Å; V284-V288 PolarHBondContact O-N 2.92Å
285A46.6Very low49.2Very low54 Ų54100 Ų10045%0.44650%0.498SS..Hα-helixtrans-63.1-30.9174.700000112.9K281 I283 N289K281-A285 WeakPolarHBondContact O-CB 3.32Å; K281-A285 PolarHBondContact O-N 2.8Å; I283-A285 VanDerWaalsContact C-N 3.34Å; A285-N289 PolarHBondContact O-ND2 2.86Å; A285-N289 VanDerWaalsContact O-ND2 3.1Å
286A47.4Very low49.5Very low14 Ų14100 Ų10012%0.11650%0.495CS..Hα-helixtrans-72.8-36.6172.700000113T282 I283 V284 V288 N289 L293 Q296T282-A286 PolarHBondContact O-N 3.46Å; T282-A286 VanDerWaalsContact O-N 3.12Å; I283-A286 WeakPolarHBondContact O-CB 3.26Å; I283-A286 PolarHBondContact O-N 3.45Å; I283-A286 VanDerWaalsContact O-N 3.16Å; V284-A286 PolarHBondContact O-N 3.04Å; A286-V288 PolarHBondContact O-N 2.82Å; A286-N289 PolarHBondContact O-N 2.94Å; A286-N289 VanDerWaalsContact O-N 3.11Å; A286-L293 WeakPolarHBondContact O-CD1 3.06Å; A286-Q296 VanDerWaalsContact CB-OE1 3.23Å
287F42Very low49.9Very low134 Ų13494 Ų9459%0.58847%0.469SS*.Hα-helixtrans-60.5-29.3176.3-159.1-96.6000112.7I283 V284 N297I283-F287 PolarHBondContact O-N 2.87Å; V284-F287 WeakPolarHBondContact O-CB 3.32Å; V284-F287 PolarHBondContact O-N 3.48Å; V284-F287 VanDerWaalsContact O-N 3.14Å; F287-N297 WeakPolarHBondContact CD2-OD1 3.44Å
288V52.7Low50.3Low113 Ų11395.4 Ų95.469%0.68547%0.471SS*.THydrogen-bonded Turntrans-75.2-20.9178.4176.90000112.8V284 A286V284-V288 PolarHBondContact O-N 2.92Å; A286-V288 PolarHBondContact O-N 2.82Å
289N47.6Very low50.7Low116 Ų11689.9 Ų89.962%0.6245%0.45SS*.SBendtrans-114.194.4-174.1-68.9-65.4000111.1A285 A286 D291 L293A285-N289 PolarHBondContact O-ND2 2.86Å; A285-N289 VanDerWaalsContact O-ND2 3.1Å; A286-N289 PolarHBondContact O-N 2.94Å; A286-N289 VanDerWaalsContact O-N 3.11Å; N289-D291 VanDerWaalsContact C-N 3.33Å; N289-D291 PolarHBondContact O-N 3.5Å; N289-D291 VanDerWaalsContact O-N 3.09Å; N289-L293 WeakPolarHBondContact O-CD1 3.12Å
290S52.2Low51.3Low79 Ų7992.8 Ų92.855%0.55246%0.459SS*.G310 helixtrans-62.6-16.6-15961.70000118.2R292 L293S290-R292 PolarHBondContact O-N 2.99Å; S290-L293 VanDerWaalsContact CA-CD1 3.46Å; S290-L293 WeakPolarHBondContact O-CB 3.14Å
291D54Low52Low152 Ų15290.3 Ų90.381%0.81346%0.455SS*.G310 helixtrans-95.20.1-160-65-8.9000115N289N289-D291 VanDerWaalsContact C-N 3.33Å; N289-D291 PolarHBondContact O-N 3.5Å; N289-D291 VanDerWaalsContact O-N 3.09Å
292R50.9Low52.9Low220 Ų22085.4 Ų85.483%0.8343%0.434SS*.G310 helixtrans-119.717.8171.4-73.2-173.5175.2-175.8-0.2113.8S290 D294S290-R292 PolarHBondContact O-N 2.99Å; R292-D294 PolarHBondContact O-N 3.43Å
293L47.8Very low53.7Low41 Ų4184 Ų8422%0.21542%0.424CS..Hα-helixtrans-70-22.2-158.3-116.261.8000118.2A286 N289 S290 N297A286-L293 WeakPolarHBondContact O-CD1 3.06Å; N289-L293 WeakPolarHBondContact O-CD1 3.12Å; S290-L293 VanDerWaalsContact CA-CD1 3.46Å; S290-L293 WeakPolarHBondContact O-CB 3.14Å; L293-N297 WeakPolarHBondContact CD2-ND2 3.39Å; L293-N297 WeakPolarHBondContact CG-ND2 3.36Å; L293-N297 WeakPolarHBondContact O-CB 3.22Å; L293-N297 PolarHBondContact O-N 3.34Å; L293-N297 PolarHBondContact O-ND2 2.88Å
294D61.6Low54.5Low103 Ų10384.5 Ų84.555%0.55143%0.43SS*.Hα-helixtrans-69.6-43.6-167.8-172.843000112.7R292 K298R292-D294 PolarHBondContact O-N 3.43Å; D294-K298 VanDerWaalsContact CG-NZ 3.3Å; D294-K298 VanDerWaalsContact O-CB 3.28Å; D294-K298 WeakPolarHBondContact O-CB 3.43Å; D294-K298 WeakPolarHBondContact O-CD 3.43Å; D294-K298 WeakPolarHBondContact O-CG 3.26Å; D294-K298 PolarHBondContact O-N 3.28Å; D294-K298 VanDerWaalsContact O-N 3.08Å; D294-K298 WeakPolarHBondContact OD1-CE 3.49Å; D294-K298 IonicContact OD1-NZ 3.55Å; D294-K298 PolarHBondContact OD1-NZ 2.96Å; D294-K298 VanDerWaalsContact OD1-NZ 3.16Å; D294-K298 WeakPolarHBondContact OD2-CE 3.2Å; D294-K298 IonicContact OD2-NZ 2.62Å; D294-K298 PolarHBondContact OD2-NZ 2.88Å
295F56.2Low55.2Low130 Ų13083.3 Ų83.357%0.5742%0.423SS*.Hα-helixtrans-71.5-43.2-178.4-176.3-99.2000112.7K298 M299F295-K298 PolarHBondContact O-N 3.06Å; F295-M299 HydrophobicContact CE1-CE 3.68Å; F295-M299 HydrophobicContact CE2-CE 4.08Å; F295-M299 HydrophobicContact CZ-CE 3.38Å; F295-M299 WeakPolarHBondContact O-CB 3.46Å; F295-M299 PolarHBondContact O-N 3.43Å
296Q53.8Low56.2Low80 Ų8080.8 Ų80.837%0.37440%0.402SS..Hα-helixtrans-70.7-38.2-178.3-75.8173.2-37.500112.1A286 M299 W300A286-Q296 VanDerWaalsContact CB-OE1 3.23Å; Q296-M299 WeakPolarHBondContact O-CB 3.39Å; Q296-M299 PolarHBondContact O-N 3.27Å; Q296-W300 PolarHBondContact O-N 3.21Å
297N57.6Low57Low39 Ų3986.6 Ų86.621%0.20943%0.427CS..Hα-helixtrans-66.8-43.1173.5-72.3-14.1000111.8F287 L293 M299 W300 L301F287-N297 WeakPolarHBondContact CD2-OD1 3.44Å; L293-N297 WeakPolarHBondContact CD2-ND2 3.39Å; L293-N297 WeakPolarHBondContact CG-ND2 3.36Å; L293-N297 WeakPolarHBondContact O-CB 3.22Å; L293-N297 PolarHBondContact O-N 3.34Å; L293-N297 PolarHBondContact O-ND2 2.88Å; N297-M299 PolarHBondContact O-N 3.43Å; N297-W300 PolarHBondContact O-N 2.63Å; N297-L301 WeakPolarHBondContact O-CB 3.26Å; N297-L301 WeakPolarHBondContact O-CG 3.37Å; N297-L301 PolarHBondContact O-N 2.82Å
298K56.6Low57.8Low109 Ų10986.9 Ų86.947%0.47443%0.43SS..Hα-helixtrans-58.1-38.5172.6-77.8171.7176.1167.10111.5D294 F295 M302D294-K298 VanDerWaalsContact CG-NZ 3.3Å; D294-K298 VanDerWaalsContact O-CB 3.28Å; D294-K298 WeakPolarHBondContact O-CB 3.43Å; D294-K298 WeakPolarHBondContact O-CD 3.43Å; D294-K298 WeakPolarHBondContact O-CG 3.26Å; D294-K298 PolarHBondContact O-N 3.28Å; D294-K298 VanDerWaalsContact O-N 3.08Å; D294-K298 WeakPolarHBondContact OD1-CE 3.49Å; D294-K298 IonicContact OD1-NZ 3.55Å; D294-K298 PolarHBondContact OD1-NZ 2.96Å; D294-K298 VanDerWaalsContact OD1-NZ 3.16Å; D294-K298 WeakPolarHBondContact OD2-CE 3.2Å; D294-K298 IonicContact OD2-NZ 2.62Å; D294-K298 PolarHBondContact OD2-NZ 2.88Å; F295-K298 PolarHBondContact O-N 3.06Å; K298-M302 VanDerWaalsContact O-CB 3.27Å; K298-M302 WeakPolarHBondContact O-CB 3.09Å; K298-M302 PolarHBondContact O-N 3.06Å
299M59.7Low58.5Low25 Ų2585.1 Ų85.112%0.12341%0.413CS..Hα-helixtrans-69.6-43.1177-164.965.96700112.7L267 F295 Q296 N297 M302 L303L267-M299 HydrophobicContact CD1-CE 4.25Å; L267-M299 HydrophobicContact CD1-CG 3.3Å; L267-M299 HydrophobicContact CD1-SD 3.38Å; L267-M299 WeakPolarHBondContact CD1-SD 3.44Å; F295-M299 HydrophobicContact CE1-CE 3.68Å; F295-M299 HydrophobicContact CE2-CE 4.08Å; F295-M299 HydrophobicContact CZ-CE 3.38Å; F295-M299 WeakPolarHBondContact O-CB 3.46Å; F295-M299 PolarHBondContact O-N 3.43Å; Q296-M299 WeakPolarHBondContact O-CB 3.39Å; Q296-M299 PolarHBondContact O-N 3.27Å; N297-M299 PolarHBondContact O-N 3.43Å; M299-M302 WeakPolarHBondContact O-CB 3.29Å; M299-M302 PolarHBondContact O-N 3.12Å; M299-L303 WeakPolarHBondContact O-CG 3.31Å; M299-L303 PolarHBondContact O-N 3.26Å
300W58.7Low59.3Low110 Ų11081.6 Ų81.642%0.41740%0.404SS..Hα-helixtrans-63.7-49.4176.2178.278.6000111.6I283 Q296 N297 M302 L303 C304I283-W300 HydrophobicContact CG2-CB 4.08Å; I283-W300 HydrophobicContact CG2-CG 4.21Å; Q296-W300 PolarHBondContact O-N 3.21Å; N297-W300 PolarHBondContact O-N 2.63Å; W300-M302 PolarHBondContact O-N 2.79Å; W300-L303 PolarHBondContact O-N 3.4Å; W300-C304 VanDerWaalsContact CZ2-SG 3.52Å; W300-C304 PolarHBondContact O-N 2.96Å; W300-C304 PolarHBondContact O-SG 3.5Å; W300-C304 VanDerWaalsContact O-SG 3.4Å
301L61Low60.1Low99 Ų9978 Ų7852%0.51838%0.378SS..Hα-helixtrans-55.1-41174.4-74169.5000110.9N297 C304 V305N297-L301 WeakPolarHBondContact O-CB 3.26Å; N297-L301 WeakPolarHBondContact O-CG 3.37Å; N297-L301 PolarHBondContact O-N 2.82Å; L301-C304 PolarHBondContact O-N 2.83Å; L301-V305 VanDerWaalsContact O-CG2 3.28Å; L301-V305 WeakPolarHBondContact O-CG2 3.18Å; L301-V305 PolarHBondContact O-N 2.67Å
302M63.2Low60.7Low18 Ų1874.4 Ų74.49%0.08936%0.362CS..Hα-helixtrans-64.4-44.6174.7-177.557.562.300112.5T259 A260 K298 M299 W300 C304 V305 L306T259-M302 WeakPolarHBondContact OG1-CE 3.25Å; A260-M302 VanDerWaalsContact CA-SD 3.52Å; A260-M302 HydrophobicContact CB-CE 4.05Å; A260-M302 HydrophobicContact CB-SD 3.54Å; A260-M302 VanDerWaalsContact CB-SD 3.54Å; K298-M302 VanDerWaalsContact O-CB 3.27Å; K298-M302 WeakPolarHBondContact O-CB 3.09Å; K298-M302 PolarHBondContact O-N 3.06Å; M299-M302 WeakPolarHBondContact O-CB 3.29Å; M299-M302 PolarHBondContact O-N 3.12Å; W300-M302 PolarHBondContact O-N 2.79Å; M302-C304 VanDerWaalsContact C-N 3.3Å; M302-C304 PolarHBondContact O-N 2.96Å; M302-V305 PolarHBondContact O-N 2.82Å; M302-L306 HydrophobicContact CG-CD1 3.94Å; M302-L306 HydrophobicContact CG-CG 4.27Å; M302-L306 WeakPolarHBondContact O-CB 3.26Å; M302-L306 VanDerWaalsContact O-CG 3.23Å; M302-L306 WeakPolarHBondContact O-CG 3.46Å; M302-L306 PolarHBondContact O-N 3.04Å; M302-L306 HydrophobicContact SD-CD1 4.22Å; M302-L306 HydrophobicContact SD-CD2 4.39Å; M302-L306 HydrophobicContact SD-CG 4.02Å
303L64.3Low61.7Low29 Ų2970.7 Ų70.715%0.15236%0.359CS..Hα-helixtrans-60.5-41.4176-72.9173.2000111.4L267 M279 I283 M299 W300 L306 Q307L267-L303 HydrophobicContact CD1-CD1 4.39Å; L267-L303 HydrophobicContact CD2-CD1 4.15Å; M279-L303 HydrophobicContact CE-CD1 4.01Å; M279-L303 HydrophobicContact SD-CD1 4.03Å; I283-L303 HydrophobicContact CD1-CD1 4.21Å; M299-L303 WeakPolarHBondContact O-CG 3.31Å; M299-L303 PolarHBondContact O-N 3.26Å; W300-L303 PolarHBondContact O-N 3.4Å; L303-L306 PolarHBondContact O-N 3.16Å; L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 PolarHBondContact O-N 3.21Å
304C63.4Low63.3Low43 Ų4369.5 Ų69.529%0.29135%0.353SS..Hα-helixtrans-60.8-47173.4-67.80000111.9W300 L301 M302 L306 Q307 E308W300-C304 VanDerWaalsContact CZ2-SG 3.52Å; W300-C304 PolarHBondContact O-N 2.96Å; W300-C304 PolarHBondContact O-SG 3.5Å; W300-C304 VanDerWaalsContact O-SG 3.4Å; L301-C304 PolarHBondContact O-N 2.83Å; M302-C304 VanDerWaalsContact C-N 3.3Å; M302-C304 PolarHBondContact O-N 2.96Å; C304-L306 VanDerWaalsContact C-N 3.34Å; C304-L306 PolarHBondContact O-N 3.27Å; C304-Q307 PolarHBondContact O-N 3.26Å; C304-E308 WeakPolarHBondContact O-CB 3.26Å; C304-E308 PolarHBondContact O-N 3.06Å
305V63Low64.4Low42 Ų4266 Ų6626%0.25534%0.335SS..Hα-helixtrans-60.1-44.7175.5169.80000110.7L301 M302 Q307 E308 K309L301-V305 VanDerWaalsContact O-CG2 3.28Å; L301-V305 WeakPolarHBondContact O-CG2 3.18Å; L301-V305 PolarHBondContact O-N 2.67Å; M302-V305 PolarHBondContact O-N 2.82Å; V305-Q307 VanDerWaalsContact C-N 3.33Å; V305-Q307 PolarHBondContact O-N 2.8Å; V305-E308 PolarHBondContact O-N 3.49Å; V305-K309 HydrophobicContact CG1-CG 4.34Å; V305-K309 WeakPolarHBondContact O-CB 3.13Å; V305-K309 VanDerWaalsContact O-CG 3.25Å; V305-K309 WeakPolarHBondContact O-CG 3.31Å; V305-K309 PolarHBondContact O-N 3.26Å
306L67Low65.7Low1 Ų167.2 Ų67.21%0.00534%0.34CS..Hα-helixtrans-66-36.1178.8-66.8173.7000111.9P243 A260 R264 M302 L303 C304 G310 W311P243-L306 HydrophobicContact CB-CD2 3.8Å; P243-L306 HydrophobicContact CG-CD2 3.51Å; A260-L306 HydrophobicContact CB-CD2 4.38Å; R264-L306 HydrophobicContact CG-CD1 3.98Å; M302-L306 HydrophobicContact CG-CD1 3.94Å; M302-L306 HydrophobicContact CG-CG 4.27Å; M302-L306 WeakPolarHBondContact O-CB 3.26Å; M302-L306 VanDerWaalsContact O-CG 3.23Å; M302-L306 WeakPolarHBondContact O-CG 3.46Å; M302-L306 PolarHBondContact O-N 3.04Å; M302-L306 HydrophobicContact SD-CD1 4.22Å; M302-L306 HydrophobicContact SD-CD2 4.39Å; M302-L306 HydrophobicContact SD-CG 4.02Å; L303-L306 PolarHBondContact O-N 3.16Å; C304-L306 VanDerWaalsContact C-N 3.34Å; C304-L306 PolarHBondContact O-N 3.27Å; L306-G310 PolarHBondContact O-N 2.71Å; L306-W311 HydrophobicContact CB-CB 4.01Å; L306-W311 HydrophobicContact CD2-CB 3.7Å; L306-W311 HydrophobicContact CD2-CD2 4.34Å; L306-W311 HydrophobicContact CD2-CE3 4.3Å; L306-W311 HydrophobicContact CD2-CG 4.1Å; L306-W311 HydrophobicContact CG-CB 4.45Å; L306-W311 WeakPolarHBondContact O-CA 3.36Å; L306-W311 WeakPolarHBondContact O-CB 3.47Å; L306-W311 PolarHBondContact O-N 2.75Å
307Q63.6Low67.4Low136 Ų13666.8 Ų66.864%0.63634%0.335SS*.Hα-helixtrans-66.8-47.4174.1-177.6173.8-9.400111.6L303 C304 V305 K309 G310 T312L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 PolarHBondContact O-N 3.21Å; C304-Q307 PolarHBondContact O-N 3.26Å; V305-Q307 VanDerWaalsContact C-N 3.33Å; V305-Q307 PolarHBondContact O-N 2.8Å; Q307-K309 VanDerWaalsContact C-N 3.27Å; Q307-K309 PolarHBondContact O-N 3.42Å; Q307-G310 PolarHBondContact O-N 2.78Å; Q307-G310 VanDerWaalsContact O-N 3.07Å; Q307-T312 HydrophobicContact CB-CG2 3.86Å; Q307-T312 HydrophobicContact CG-CG2 4.17Å
308E59.9Low68.9Low140 Ų14065 Ų6565%0.65433%0.326SS*.Hα-helixtrans-57.6-40.3176.1-169-157.5127.300111.6C304 V305 G310C304-E308 WeakPolarHBondContact O-CB 3.26Å; C304-E308 PolarHBondContact O-N 3.06Å; V305-E308 PolarHBondContact O-N 3.49Å; E308-G310 VanDerWaalsContact C-N 3.3Å; E308-G310 PolarHBondContact O-N 3.08Å
309K65.9Low70.3Confident76 Ų7661.9 Ų61.933%0.3331%0.313SS..THydrogen-bonded Turntrans-82.80.6179.3-60.3-53.5179.5-1450114.1V305 Q307 W311V305-K309 HydrophobicContact CG1-CG 4.34Å; V305-K309 WeakPolarHBondContact O-CB 3.13Å; V305-K309 VanDerWaalsContact O-CG 3.25Å; V305-K309 WeakPolarHBondContact O-CG 3.31Å; V305-K309 PolarHBondContact O-N 3.26Å; Q307-K309 VanDerWaalsContact C-N 3.27Å; Q307-K309 PolarHBondContact O-N 3.42Å; K309-W311 VanDerWaalsContact C-N 3.3Å; K309-W311 PolarHBondContact O-N 2.76Å
310G66.1Low71.6Confident42 Ų4264.7 Ų64.743%0.43333%0.326SS..THydrogen-bonded Turntrans73.318.4-179.700000114.6L306 Q307 E308 T312L306-G310 PolarHBondContact O-N 2.71Å; Q307-G310 PolarHBondContact O-N 2.78Å; Q307-G310 VanDerWaalsContact O-N 3.07Å; E308-G310 VanDerWaalsContact C-N 3.3Å; E308-G310 PolarHBondContact O-N 3.08Å; G310-T312 VanDerWaalsContact C-N 3.29Å; G310-T312 PolarHBondContact O-N 2.76Å
311W67.4Low73.2Confident3 Ų359.4 Ų59.41%0.01131%0.306CS..  trans-83.24.3178.9-81.359.3000113.5M235 N239 C241 L242 P243 L261 R264 L306 K309 I314M235-W311 HydrophobicContact CB-CH2 3.27Å; M235-W311 HydrophobicContact CB-CZ2 3.69Å; M235-W311 HydrophobicContact CB-CZ3 4.12Å; M235-W311 HydrophobicContact CE-CE3 4.29Å; M235-W311 HydrophobicContact CE-CH2 4.07Å; M235-W311 HydrophobicContact CE-CZ2 4.43Å; M235-W311 HydrophobicContact CE-CZ3 3.97Å; M235-W311 HydrophobicContact CG-CH2 3.86Å; M235-W311 HydrophobicContact CG-CZ3 4.25Å; N239-W311 PolarHBondContact ND2-NE1 3.4Å; C241-W311 WeakPolarHBondContact O-CZ2 3.44Å; C241-W311 PolarHBondContact O-NE1 2.76Å; L242-W311 HydrophobicContact CD2-CH2 3.79Å; L242-W311 HydrophobicContact CD2-CZ2 3.75Å; P243-W311 HydrophobicContact CG-CD2 3.71Å; P243-W311 HydrophobicContact CG-CE3 3.76Å; P243-W311 HydrophobicContact CG-CG 4.29Å; P243-W311 HydrophobicContact CG-CH2 4.19Å; P243-W311 HydrophobicContact CG-CZ2 4.2Å; P243-W311 HydrophobicContact CG-CZ3 4Å; L261-W311 HydrophobicContact CD2-CZ3 4.38Å; R264-W311 PolarHBondContact NH1-O 3.3Å; R264-W311 VanDerWaalsContact NH2-C 3.34Å; R264-W311 PolarHBondContact NH2-O 3.07Å; L306-W311 HydrophobicContact CB-CB 4.01Å; L306-W311 HydrophobicContact CD2-CB 3.7Å; L306-W311 HydrophobicContact CD2-CD2 4.34Å; L306-W311 HydrophobicContact CD2-CE3 4.3Å; L306-W311 HydrophobicContact CD2-CG 4.1Å; L306-W311 HydrophobicContact CG-CB 4.45Å; L306-W311 WeakPolarHBondContact O-CA 3.36Å; L306-W311 WeakPolarHBondContact O-CB 3.47Å; L306-W311 PolarHBondContact O-N 2.75Å; K309-W311 VanDerWaalsContact C-N 3.3Å; K309-W311 PolarHBondContact O-N 2.76Å; W311-I314 HydrophobicContact CD2-CD1 4.35Å; W311-I314 HydrophobicContact CE3-CD1 3.61Å; W311-I314 HydrophobicContact CZ3-CD1 4.19Å; W311-I314 WeakPolarHBondContact O-CG1 3.46Å
312T66.4Low74.5Confident77 Ų7755.5 Ų55.547%0.47228%0.284SS..SBendtrans-60-43.4176.745.40000114.2R264 Q307 G310 I314R264-T312 PolarHBondContact NH1-O 3.49Å; Q307-T312 HydrophobicContact CB-CG2 3.86Å; Q307-T312 HydrophobicContact CG-CG2 4.17Å; G310-T312 VanDerWaalsContact C-N 3.29Å; G310-T312 PolarHBondContact O-N 2.76Å; T312-I314 PolarHBondContact O-N 2.83Å
313N73.6Confident75.6Confident142 Ų14255.4 Ų55.476%0.75929%0.286SS*.  trans-104.759-170.7-162.314.7000113.4P315N313-P315 WeakPolarHBondContact O-CD 3.23Å
314I79.9Confident76.8Confident16 Ų1655.8 Ų55.88%0.08229%0.291CS..  trans-81.3126.5175.7-59.3171.3000109.1M235 W311 T312 K316 L318 Q319M235-I314 HydrophobicContact CE-CB 4.49Å; M235-I314 HydrophobicContact CE-CD1 3.7Å; M235-I314 HydrophobicContact CE-CG1 3.78Å; M235-I314 HydrophobicContact CE-CG2 3.92Å; M235-I314 HydrophobicContact SD-CG2 4.38Å; W311-I314 HydrophobicContact CD2-CD1 4.35Å; W311-I314 HydrophobicContact CE3-CD1 3.61Å; W311-I314 HydrophobicContact CZ3-CD1 4.19Å; W311-I314 WeakPolarHBondContact O-CG1 3.46Å; T312-I314 PolarHBondContact O-N 2.83Å; I314-K316 PolarHBondContact O-N 3.07Å; I314-L318 HydrophobicContact CG2-CB 3.91Å; I314-Q319 HydrophobicContact CB-CG 4.21Å; I314-Q319 HydrophobicContact CG2-CG 3.81Å; I314-Q319 PolarHBondContact O-NE2 3.31Å
315P84.2Confident78.2Confident29 Ų2953.8 Ų53.819%0.18828%0.277CS..  trans-48.5133.9174.1-2729000113.1N313 R317 L318 Q319 E350N313-P315 WeakPolarHBondContact O-CD 3.23Å; P315-R317 PolarHBondContact O-N 3.31Å; P315-R317 VanDerWaalsContact O-N 3.12Å; P315-L318 HydrophobicContact CB-CB 4.49Å; P315-L318 HydrophobicContact CB-CD1 4.33Å; P315-L318 HydrophobicContact CB-CG 4.22Å; P315-L318 HydrophobicContact CG-CD1 3.95Å; P315-L318 HydrophobicContact CG-CG 4.39Å; P315-L318 PolarHBondContact O-N 2.63Å; P315-Q319 PolarHBondContact O-N 2.8Å; P315-E350 WeakPolarHBondContact CG-OE1 3.28Å
316K85Confident79.4Confident155 Ų15554.2 Ų54.267%0.67428%0.283SS*.Hα-helixtrans-52.8-38.2-177.8-174.6175.8-178.91760112.6I314 Q319 Q320I314-K316 PolarHBondContact O-N 3.07Å; K316-Q319 WeakPolarHBondContact O-CB 3.08Å; K316-Q319 PolarHBondContact O-N 2.59Å; K316-Q320 WeakPolarHBondContact O-CG 3.19Å; K316-Q320 PolarHBondContact O-N 3.15Å
317R88.8Confident80.4Confident71 Ų7162 Ų6227%0.26832%0.316SS..Hα-helixtrans-65.7-41176.9-73.9-166.5-158.5-82.8-2.2113.2P315 Q319 Q320 I321 V346 D349P315-R317 PolarHBondContact O-N 3.31Å; P315-R317 VanDerWaalsContact O-N 3.12Å; R317-Q319 PolarHBondContact O-N 3.46Å; R317-Q320 WeakPolarHBondContact O-CB 3.19Å; R317-Q320 PolarHBondContact O-N 3.49Å; R317-Q320 VanDerWaalsContact O-N 3.13Å; R317-I321 WeakPolarHBondContact O-CG1 3.48Å; R317-I321 PolarHBondContact O-N 2.86Å; R317-V346 HydrophobicContact CB-CG2 3.56Å; R317-D349 VanDerWaalsContact CD-OD2 3.24Å; R317-D349 WeakPolarHBondContact CD-OD2 3.3Å; R317-D349 IonicContact CZ-OD1 2.8Å; R317-D349 IonicContact CZ-OD2 3.06Å; R317-D349 VanDerWaalsContact NE-CG 3.31Å; R317-D349 IonicContact NE-OD1 2.74Å; R317-D349 PolarHBondContact NE-OD1 2.81Å; R317-D349 IonicContact NE-OD2 2.63Å; R317-D349 PolarHBondContact NE-OD2 3.42Å; R317-D349 IonicContact NH2-OD1 3.81Å; R317-D349 PolarHBondContact NH2-OD1 3.08Å; R317-D349 VanDerWaalsContact NH2-OD1 3.14Å; R317-D349 IonicContact NH2-OD2 3.99Å
318L89.8Confident81.8Confident2 Ų256.6 Ų56.61%0.0129%0.29CS..Hα-helixtrans-61.7-37.1175.7-69.7-178.4000111.2F231 M235 K238 I314 P315 I321 Y322 F343 V346F231-L318 HydrophobicContact CE2-CB 4.42Å; F231-L318 WeakPolarHBondContact CE2-O 3.44Å; F231-L318 WeakPolarHBondContact CZ-O 3.44Å; M235-L318 HydrophobicContact SD-CD1 4.18Å; K238-L318 HydrophobicContact CD-CD1 3.98Å; I314-L318 HydrophobicContact CG2-CB 3.91Å; P315-L318 HydrophobicContact CB-CB 4.49Å; P315-L318 HydrophobicContact CB-CD1 4.33Å; P315-L318 HydrophobicContact CB-CG 4.22Å; P315-L318 HydrophobicContact CG-CD1 3.95Å; P315-L318 HydrophobicContact CG-CG 4.39Å; P315-L318 PolarHBondContact O-N 2.63Å; L318-I321 HydrophobicContact CD2-CD1 4.12Å; L318-I321 PolarHBondContact O-N 3.26Å; L318-Y322 PolarHBondContact O-N 3.09Å; L318-Y322 VanDerWaalsContact O-N 3.11Å; L318-F343 HydrophobicContact CD2-CD1 4.1Å; L318-F343 HydrophobicContact CD2-CE1 3.9Å; L318-V346 HydrophobicContact CD2-CG1 4.32Å; L318-V346 HydrophobicContact CD2-CG2 3.91Å; L318-V346 HydrophobicContact CG-CG1 4.21Å; L318-V346 HydrophobicContact CG-CG2 4.12Å
319Q84.8Confident83.4Confident44 Ų4453.7 Ų53.721%0.20628%0.282CS..Hα-helixtrans-64.7-42.5174.1-54176.722.300112I314 P315 K316 R317 Y322 A323I314-Q319 HydrophobicContact CB-CG 4.21Å; I314-Q319 HydrophobicContact CG2-CG 3.81Å; I314-Q319 PolarHBondContact O-NE2 3.31Å; P315-Q319 PolarHBondContact O-N 2.8Å; K316-Q319 WeakPolarHBondContact O-CB 3.08Å; K316-Q319 PolarHBondContact O-N 2.59Å; R317-Q319 PolarHBondContact O-N 3.46Å; Q319-Y322 PolarHBondContact O-N 3.21Å; Q319-A323 WeakPolarHBondContact O-CB 3.23Å; Q319-A323 PolarHBondContact O-N 2.92Å
320Q88.8Confident84.7Confident83 Ų8351 Ų5139%0.38827%0.27SS..Hα-helixtrans-64.6-37.3176.2-71.6172.8-18.100112.8K316 R317 S324K316-Q320 WeakPolarHBondContact O-CG 3.19Å; K316-Q320 PolarHBondContact O-N 3.15Å; R317-Q320 WeakPolarHBondContact O-CB 3.19Å; R317-Q320 PolarHBondContact O-N 3.49Å; R317-Q320 VanDerWaalsContact O-N 3.13Å; Q320-S324 WeakPolarHBondContact O-CB 3.39Å; Q320-S324 PolarHBondContact O-N 2.89Å; Q320-S324 PolarHBondContact O-OG 2.87Å
321I90.9Very high86.1Confident0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-57.8-55.6172.6-71.5171.7000109.4F231 R317 L318 A323 S324 I325 L339 Q342 F343F231-I321 HydrophobicContact CD2-CG2 3.99Å; F231-I321 HydrophobicContact CE2-CB 4.43Å; F231-I321 HydrophobicContact CE2-CG2 4.14Å; R317-I321 WeakPolarHBondContact O-CG1 3.48Å; R317-I321 PolarHBondContact O-N 2.86Å; L318-I321 HydrophobicContact CD2-CD1 4.12Å; L318-I321 PolarHBondContact O-N 3.26Å; I321-A323 PolarHBondContact O-N 2.73Å; I321-S324 WeakPolarHBondContact O-CB 3.33Å; I321-S324 PolarHBondContact O-N 2.99Å; I321-S324 VanDerWaalsContact O-N 3.09Å; I321-I325 HydrophobicContact CG2-CD1 3.59Å; I321-I325 HydrophobicContact CG2-CG1 4.36Å; I321-I325 WeakPolarHBondContact O-CG1 3.45Å; I321-I325 PolarHBondContact O-N 3.36Å; I321-L339 HydrophobicContact CG1-CD1 4.38Å; I321-L339 HydrophobicContact CG2-CD1 3.45Å; I321-L339 VanDerWaalsContact CG2-CD1 3.45Å; I321-Q342 HydrophobicContact CD1-CB 3.54Å; I321-Q342 HydrophobicContact CG1-CB 3.57Å; I321-Q342 HydrophobicContact CG1-CG 4.1Å; I321-F343 HydrophobicContact CD1-CD1 3.78Å; I321-F343 HydrophobicContact CD1-CE1 3.72Å; I321-F343 HydrophobicContact CD1-CG 4.3Å; I321-F343 HydrophobicContact CD1-CZ 4.21Å; I321-F343 HydrophobicContact CG2-CZ 4.27Å
322Y89.5Confident87.4Confident17 Ų1759.9 Ų59.97%0.06730%0.297CS..Hα-helixtrans-60.7-44.5-179-176.1-98.7000112.6I228 F231 Y232 L261 L318 Q319 S324 I325 S326I228-Y322 HydrophobicContact CG2-CE2 4.35Å; F231-Y322 AromaticContact CD1-CD2 3.38Å; F231-Y322 HydrophobicContact CD1-CD2 3.38Å; F231-Y322 HydrophobicContact CD1-CE2 4.16Å; F231-Y322 HydrophobicContact CD1-CG 4.13Å; F231-Y322 AromaticContact CE1-CD2 3.55Å; F231-Y322 HydrophobicContact CE1-CD2 3.55Å; F231-Y322 HydrophobicContact CE1-CE2 4.49Å; F231-Y322 AromaticContact CE1-CG 3.83Å; F231-Y322 HydrophobicContact CE1-CG 3.83Å; F231-Y322 HydrophobicContact CG-CD2 4.01Å; F231-Y322 HydrophobicContact CZ-CD2 4.3Å; F231-Y322 HydrophobicContact CZ-CG 4.25Å; Y232-Y322 AromaticContact CE1-CE2 3.68Å; Y232-Y322 HydrophobicContact CE1-CE2 3.68Å; Y232-Y322 PolarHBondContact OH-OH 3.26Å; L261-Y322 HydrophobicContact CB-CD1 4.3Å; L261-Y322 HydrophobicContact CB-CE1 3.5Å; L261-Y322 VanDerWaalsContact CB-CE1 3.5Å; L261-Y322 HydrophobicContact CD1-CE1 4.26Å; L261-Y322 HydrophobicContact CD1-CE2 3.98Å; L261-Y322 WeakPolarHBondContact CD1-OH 3.34Å; L261-Y322 HydrophobicContact CD2-CD1 4.22Å; L261-Y322 HydrophobicContact CD2-CE1 4.1Å; L261-Y322 HydrophobicContact CD2-CE2 4.44Å; L261-Y322 HydrophobicContact CD2-CG 4.47Å; L261-Y322 HydrophobicContact CG-CE1 4.17Å; L318-Y322 PolarHBondContact O-N 3.09Å; L318-Y322 VanDerWaalsContact O-N 3.11Å; Q319-Y322 PolarHBondContact O-N 3.21Å; Y322-S324 PolarHBondContact O-N 2.94Å; Y322-I325 PolarHBondContact O-N 3.31Å; Y322-S326 WeakPolarHBondContact CE1-OG 3.01Å; Y322-S326 VanDerWaalsContact O-CB 3.26Å; Y322-S326 WeakPolarHBondContact O-CB 3.44Å; Y322-S326 PolarHBondContact O-N 3.19Å; Y322-S326 PolarHBondContact O-OG 3.5Å
323A85.8Confident88.8Confident15 Ų1560.2 Ų60.212%0.12430%0.299CS..Hα-helixtrans-56-37.6175.600000112.7L265 Q319 I321 K327L265-A323 HydrophobicContact CD1-CB 3.74Å; L265-A323 HydrophobicContact CD2-CB 3.56Å; L265-A323 HydrophobicContact CG-CB 4.22Å; Q319-A323 WeakPolarHBondContact O-CB 3.23Å; Q319-A323 PolarHBondContact O-N 2.92Å; I321-A323 PolarHBondContact O-N 2.73Å; A323-K327 WeakPolarHBondContact O-CG 3.19Å
324S90.2Very high89.9Confident37 Ų3753.8 Ų53.826%0.25927%0.265SS..Hα-helixtrans-75.2-47.9-178.9-59.80000111.4Q320 I321 Y322 S326 K327 W328 W338Q320-S324 WeakPolarHBondContact O-CB 3.39Å; Q320-S324 PolarHBondContact O-N 2.89Å; Q320-S324 PolarHBondContact O-OG 2.87Å; I321-S324 WeakPolarHBondContact O-CB 3.33Å; I321-S324 PolarHBondContact O-N 2.99Å; I321-S324 VanDerWaalsContact O-N 3.09Å; Y322-S324 PolarHBondContact O-N 2.94Å; S324-S326 VanDerWaalsContact C-N 3.32Å; S324-S326 PolarHBondContact O-N 2.63Å; S324-K327 PolarHBondContact O-N 2.74Å; S324-W328 PolarHBondContact O-NE1 3.04Å; S324-W328 VanDerWaalsContact O-NE1 3.12Å; S324-W338 VanDerWaalsContact CB-CH2 3.49Å; S324-W338 WeakPolarHBondContact OG-CH2 3.17Å
325I91.1Very high90.6Very high1 Ų157.1 Ų57.11%0.00528%0.283CS..Hα-helixtrans-63.2-41179.5-57.9166.5000110.5H224 L227 I228 I321 Y322 K327 W328 L339H224-I325 HydrophobicContact CB-CG2 4.1Å; L227-I325 HydrophobicContact CB-CD1 4.46Å; L227-I325 HydrophobicContact CB-CG2 4.08Å; I228-I325 HydrophobicContact CD1-CG2 4.38Å; I228-I325 HydrophobicContact CG1-CG2 3.67Å; I321-I325 HydrophobicContact CG2-CD1 3.59Å; I321-I325 HydrophobicContact CG2-CG1 4.36Å; I321-I325 WeakPolarHBondContact O-CG1 3.45Å; I321-I325 PolarHBondContact O-N 3.36Å; Y322-I325 PolarHBondContact O-N 3.31Å; I325-K327 PolarHBondContact O-N 3.44Å; I325-W328 HydrophobicContact CB-CE3 4.28Å; I325-W328 HydrophobicContact CB-CZ3 4.29Å; I325-W328 HydrophobicContact CG1-CE3 4.34Å; I325-W328 HydrophobicContact CG1-CH2 4.04Å; I325-W328 HydrophobicContact CG1-CZ3 3.85Å; I325-W328 HydrophobicContact CG2-CE3 3.99Å; I325-W328 HydrophobicContact CG2-CZ3 4.15Å; I325-W328 WeakPolarHBondContact O-CB 3.27Å; I325-W328 PolarHBondContact O-N 3.39Å; I325-L339 HydrophobicContact CD1-CD1 3.98Å; I325-L339 HydrophobicContact CD1-CD2 4.23Å
326S87.9Confident91.3Very high52 Ų5256.2 Ų56.236%0.36428%0.276SS..THydrogen-bonded Turntrans-65.5-20.3-178.7-59.70000113.9Y322 S324Y322-S326 WeakPolarHBondContact CE1-OG 3.01Å; Y322-S326 VanDerWaalsContact O-CB 3.26Å; Y322-S326 WeakPolarHBondContact O-CB 3.44Å; Y322-S326 PolarHBondContact O-N 3.19Å; Y322-S326 PolarHBondContact O-OG 3.5Å; S324-S326 VanDerWaalsContact C-N 3.32Å; S324-S326 PolarHBondContact O-N 2.63Å
327K89.1Confident91.9Very high163 Ų16355.8 Ų55.871%0.70927%0.274SS*.THydrogen-bonded Turntrans-84.5-11.8174.6-72.3173.9-177-178.60112.9A323 S324 I325A323-K327 WeakPolarHBondContact O-CG 3.19Å; S324-K327 PolarHBondContact O-N 2.74Å; I325-K327 PolarHBondContact O-N 3.44Å
328W92.4Very high92.3Very high24 Ų2456 Ų569%0.09128%0.275CS..  trans-75144.7-179.6-61.7-9.8000110.5H224 L227 S324 I325 K332 P334 W338H224-W328 HydrophobicContact CB-CB 3.79Å; H224-W328 HydrophobicContact CB-CE3 3.98Å; H224-W328 PolarHBondContact CD2-O 2.81Å; L227-W328 HydrophobicContact CD1-CE3 4.48Å; L227-W328 HydrophobicContact CD1-CZ3 3.77Å; S324-W328 PolarHBondContact O-NE1 3.04Å; S324-W328 VanDerWaalsContact O-NE1 3.12Å; I325-W328 HydrophobicContact CB-CE3 4.28Å; I325-W328 HydrophobicContact CB-CZ3 4.29Å; I325-W328 HydrophobicContact CG1-CE3 4.34Å; I325-W328 HydrophobicContact CG1-CH2 4.04Å; I325-W328 HydrophobicContact CG1-CZ3 3.85Å; I325-W328 HydrophobicContact CG2-CE3 3.99Å; I325-W328 HydrophobicContact CG2-CZ3 4.15Å; I325-W328 WeakPolarHBondContact O-CB 3.27Å; I325-W328 PolarHBondContact O-N 3.39Å; W328-K332 HydrophobicContact CB-CB 4.44Å; W328-K332 HydrophobicContact CB-CD 4.13Å; W328-K332 VanDerWaalsContact CD1-CE 3.47Å; W328-K332 HydrophobicContact CD2-CD 4.43Å; W328-K332 HydrophobicContact CG-CD 3.73Å; W328-K332 HydrophobicContact CG-CG 4.36Å; W328-P334 HydrophobicContact CE3-CB 3.99Å; W328-P334 HydrophobicContact CE3-CG 4.11Å; W328-P334 HydrophobicContact CH2-CB 4.12Å; W328-P334 HydrophobicContact CZ3-CB 3.55Å; W328-P334 HydrophobicContact CZ3-CG 4.1Å; W328-W338 HydrophobicContact CH2-CE3 4.5Å; W328-W338 HydrophobicContact CH2-CZ3 4.42Å; W328-W338 HydrophobicContact CZ2-CE3 4.4Å; W328-W338 HydrophobicContact CZ2-CZ3 4.27Å
329T93.1Very high92.7Very high79 Ų7956 Ų5649%0.48528%0.275SS..  trans-106.6166179.468.30000109.8F331 K332T329-F331 PolarHBondContact O-N 2.87Å; T329-K332 PolarHBondContact O-N 3.4Å
330Y94.4Very high93.4Very high18 Ų1855.5 Ų55.57%0.07127%0.273CS..THydrogen-bonded Turntrans-46.8-35.2174.6176.8-91.5000113.9L195 R196 P198 E220 L221L195-Y330 HydrophobicContact CD1-CE1 4.17Å; L195-Y330 HydrophobicContact CD2-CD1 4.05Å; L195-Y330 HydrophobicContact CD2-CE1 3.76Å; L195-Y330 HydrophobicContact CG-CE1 3.89Å; R196-Y330 VanDerWaalsContact O-CE1 3.23Å; R196-Y330 WeakPolarHBondContact O-CE1 3.18Å; R196-Y330 PolarHBondContact O-OH 2.75Å; P198-Y330 HydrophobicContact CG-CD1 3.68Å; P198-Y330 HydrophobicContact CG-CE1 3.88Å; P198-Y330 HydrophobicContact CG-CG 4.2Å; E220-Y330 HydrophobicContact CB-CD2 4.48Å; E220-Y330 HydrophobicContact CG-CD2 3.84Å; E220-Y330 HydrophobicContact CG-CE2 3.45Å; E220-Y330 VanDerWaalsContact CG-CE2 3.45Å; L221-Y330 VanDerWaalsContact O-CD2 3.27Å; L221-Y330 WeakPolarHBondContact O-CD2 3.34Å; L221-Y330 WeakPolarHBondContact O-CE2 3.39Å
331F95.7Very high93.8Very high134 Ų13455.5 Ų55.559%0.58828%0.276SS*.THydrogen-bonded Turntrans-80-16.3-176.4-56.8-75.2000114.2L195 P198 T329L195-F331 HydrophobicContact CD2-CB 4.48Å; L195-F331 HydrophobicContact CD2-CD1 3.96Å; P198-F331 HydrophobicContact CG-CE1 4.17Å; P198-F331 HydrophobicContact CG-CE2 4.43Å; P198-F331 HydrophobicContact CG-CZ 3.7Å; T329-F331 PolarHBondContact O-N 2.87Å
332K93.8Very high94.1Very high98 Ų9856.7 Ų56.743%0.42628%0.281SS..PPolyproline II helixtrans-81.1131-175.4-179.7159.2175.2155.20110.7W328 T329 P334W328-K332 HydrophobicContact CB-CB 4.44Å; W328-K332 HydrophobicContact CB-CD 4.13Å; W328-K332 VanDerWaalsContact CD1-CE 3.47Å; W328-K332 HydrophobicContact CD2-CD 4.43Å; W328-K332 HydrophobicContact CG-CD 3.73Å; W328-K332 HydrophobicContact CG-CG 4.36Å; T329-K332 PolarHBondContact O-N 3.4Å; K332-P334 WeakPolarHBondContact O-CD 3.39Å
333T95.9Very high94.5Very high85 Ų8556 Ų5652%0.52128%0.279SS..PPolyproline II helixtrans-78.2121.5162-56.80000108.4R223 Y336R223-T333 PolarHBondContact NH1-OG1 3.01Å; T333-Y336 HydrophobicContact CG2-CE2 4.47Å
334P96.7Very high95Very high7 Ų756.7 Ų56.75%0.04528%0.284CS..PPolyproline II helixtrans-57.7145.2175.7-28.737.6000113R223 L227 W328 K332 Y336R223-P334 HydrophobicContact CB-CG 3.69Å; L227-P334 HydrophobicContact CD1-CB 3.7Å; L227-P334 HydrophobicContact CD1-CG 3.74Å; W328-P334 HydrophobicContact CE3-CB 3.99Å; W328-P334 HydrophobicContact CE3-CG 4.11Å; W328-P334 HydrophobicContact CH2-CB 4.12Å; W328-P334 HydrophobicContact CZ3-CB 3.55Å; W328-P334 HydrophobicContact CZ3-CG 4.1Å; K332-P334 WeakPolarHBondContact O-CD 3.39Å; P334-Y336 HydrophobicContact CB-CD1 4.2Å; P334-Y336 HydrophobicContact CB-CD2 4.36Å; P334-Y336 HydrophobicContact CB-CE1 3.85Å; P334-Y336 HydrophobicContact CB-CE2 4.04Å; P334-Y336 HydrophobicContact CB-CG 4.45Å; P334-Y336 HydrophobicContact CG-CE1 4.13Å; P334-Y336 HydrophobicContact CG-CE2 4.46Å; P334-Y336 VanDerWaalsContact O-CD2 3.26Å; P334-Y336 WeakPolarHBondContact O-CD2 3.31Å; P334-Y336 WeakPolarHBondContact O-CE2 3.23Å; P334-Y336 PolarHBondContact O-N 3.29Å
335D96Very high95.4Very high86 Ų8657.8 Ų57.846%0.4629%0.287SS..  trans-84.785.9164.4-171.4-17.5000109K337 W338 L339D335-K337 VanDerWaalsContact C-N 3.28Å; D335-K337 PolarHBondContact O-N 3.41Å; D335-K337 PolarHBondContact OD1-N 2.77Å; D335-W338 HydrophobicContact CB-CB 3.88Å; D335-W338 PolarHBondContact O-N 2.86Å; D335-W338 WeakPolarHBondContact OD1-CB 3.35Å; D335-W338 PolarHBondContact OD1-N 3.33Å; D335-W338 WeakPolarHBondContact OD2-CB 3.45Å; D335-L339 PolarHBondContact O-N 3.3Å
336Y98.2Very high95.6Very high10 Ų1057.8 Ų57.84%0.03929%0.287CS..Hα-helixtrans-63.3-35-179.3-56.5-83.1000112.4V145 K149 H152 R223 L227 T333 P334 L339 M340V145-Y336 HydrophobicContact CG1-CD1 4Å; K149-Y336 HydrophobicContact CB-CD1 3.71Å; K149-Y336 HydrophobicContact CB-CD2 4.22Å; K149-Y336 HydrophobicContact CB-CE1 3.97Å; K149-Y336 HydrophobicContact CB-CE2 4.44Å; K149-Y336 HydrophobicContact CB-CG 3.84Å; K149-Y336 HydrophobicContact CD-CD2 3.94Å; K149-Y336 HydrophobicContact CD-CG 3.86Å; K149-Y336 HydrophobicContact CG-CD1 4.11Å; K149-Y336 HydrophobicContact CG-CD2 3.68Å; K149-Y336 HydrophobicContact CG-CE1 4.4Å; K149-Y336 HydrophobicContact CG-CE2 3.98Å; K149-Y336 HydrophobicContact CG-CG 3.74Å; H152-Y336 WeakPolarHBondContact CB-OH 3.14Å; H152-Y336 AromaticContact ND1-CE1 3.68Å; H152-Y336 AromaticContact ND1-CZ 3.62Å; H152-Y336 PolarHBondContact ND1-OH 2.86Å; R223-Y336 WeakPolarHBondContact CD-OH 3.39Å; L227-Y336 HydrophobicContact CD1-CD1 4.49Å; L227-Y336 HydrophobicContact CD1-CE1 4.15Å; T333-Y336 HydrophobicContact CG2-CE2 4.47Å; P334-Y336 HydrophobicContact CB-CD1 4.2Å; P334-Y336 HydrophobicContact CB-CD2 4.36Å; P334-Y336 HydrophobicContact CB-CE1 3.85Å; P334-Y336 HydrophobicContact CB-CE2 4.04Å; P334-Y336 HydrophobicContact CB-CG 4.45Å; P334-Y336 HydrophobicContact CG-CE1 4.13Å; P334-Y336 HydrophobicContact CG-CE2 4.46Å; P334-Y336 VanDerWaalsContact O-CD2 3.26Å; P334-Y336 WeakPolarHBondContact O-CD2 3.31Å; P334-Y336 WeakPolarHBondContact O-CE2 3.23Å; P334-Y336 PolarHBondContact O-N 3.29Å; Y336-L339 PolarHBondContact O-N 3.08Å; Y336-M340 WeakPolarHBondContact O-CE 3.15Å; Y336-M340 WeakPolarHBondContact O-CG 3.5Å; Y336-M340 PolarHBondContact O-N 2.81Å
337K97.9Very high95.9Very high146 Ų14655.3 Ų55.364%0.63527%0.27SS*.Hα-helixtrans-66.8-45.4179.9-175.5177.8-179.8179.20110.2D335 L339 N341D335-K337 VanDerWaalsContact C-N 3.28Å; D335-K337 PolarHBondContact O-N 3.41Å; D335-K337 PolarHBondContact OD1-N 2.77Å; K337-L339 VanDerWaalsContact C-N 3.31Å; K337-L339 PolarHBondContact O-N 3.24Å; K337-N341 WeakPolarHBondContact O-CB 3.12Å; K337-N341 PolarHBondContact O-N 2.9Å; K337-N341 PolarHBondContact O-ND2 2.96Å; K337-N341 PolarHBondContact O-OD1 3.29Å
338W97.6Very high96.3Very high74 Ų7453.1 Ų53.128%0.2827%0.266SS..Hα-helixtrans-57.2-45.9172173.987.1000111.5S324 W328 D335 N341 Q342S324-W338 VanDerWaalsContact CB-CH2 3.49Å; S324-W338 WeakPolarHBondContact OG-CH2 3.17Å; W328-W338 HydrophobicContact CH2-CE3 4.5Å; W328-W338 HydrophobicContact CH2-CZ3 4.42Å; W328-W338 HydrophobicContact CZ2-CE3 4.4Å; W328-W338 HydrophobicContact CZ2-CZ3 4.27Å; D335-W338 HydrophobicContact CB-CB 3.88Å; D335-W338 PolarHBondContact O-N 2.86Å; D335-W338 WeakPolarHBondContact OD1-CB 3.35Å; D335-W338 PolarHBondContact OD1-N 3.33Å; D335-W338 WeakPolarHBondContact OD2-CB 3.45Å; W338-N341 WeakPolarHBondContact O-CB 3.38Å; W338-N341 PolarHBondContact O-N 2.91Å; W338-Q342 HydrophobicContact CD2-CG 3.88Å; W338-Q342 VanDerWaalsContact CE2-CG 3.48Å; W338-Q342 HydrophobicContact CE3-CG 4.23Å; W338-Q342 HydrophobicContact CH2-CG 3.86Å; W338-Q342 HydrophobicContact CZ2-CG 3.49Å; W338-Q342 VanDerWaalsContact CZ2-CG 3.49Å; W338-Q342 HydrophobicContact CZ3-CG 4.22Å; W338-Q342 WeakPolarHBondContact O-CG 3.35Å; W338-Q342 PolarHBondContact O-N 2.91Å
339L97.6Very high96.4Very high2 Ų256.7 Ų56.71%0.0129%0.286CS..Hα-helixtrans-62.5-46.9-178-17957.1000112.3V145 L227 I321 I325 D335 Y336 K337 N341 Q342 F343V145-L339 HydrophobicContact CG1-CD2 4.13Å; V145-L339 HydrophobicContact CG1-CG 4.44Å; V145-L339 HydrophobicContact CG2-CD2 3.67Å; V145-L339 HydrophobicContact CG2-CG 3.99Å; L227-L339 HydrophobicContact CD1-CD2 4.05Å; L227-L339 HydrophobicContact CD2-CD2 3.94Å; L227-L339 HydrophobicContact CG-CD2 4.44Å; I321-L339 HydrophobicContact CG1-CD1 4.38Å; I321-L339 HydrophobicContact CG2-CD1 3.45Å; I321-L339 VanDerWaalsContact CG2-CD1 3.45Å; I325-L339 HydrophobicContact CD1-CD1 3.98Å; I325-L339 HydrophobicContact CD1-CD2 4.23Å; D335-L339 PolarHBondContact O-N 3.3Å; Y336-L339 PolarHBondContact O-N 3.08Å; K337-L339 VanDerWaalsContact C-N 3.31Å; K337-L339 PolarHBondContact O-N 3.24Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.48Å; L339-Q342 PolarHBondContact O-N 2.8Å; L339-F343 HydrophobicContact CD1-CD2 4.26Å; L339-F343 HydrophobicContact CD1-CE2 3.67Å; L339-F343 HydrophobicContact CD1-CZ 4.16Å; L339-F343 HydrophobicContact CD2-CE2 4.45Å; L339-F343 HydrophobicContact CG-CD2 4.27Å; L339-F343 HydrophobicContact CG-CE2 3.81Å; L339-F343 WeakPolarHBondContact O-CD2 3.29Å; L339-F343 PolarHBondContact O-N 2.89Å; L339-F343 VanDerWaalsContact O-N 3.15Å
340M98Very high96.3Very high35 Ų3555.8 Ų55.817%0.17228%0.277CS..Hα-helixtrans-61.1-42.4174.7-68.4-178.3-67.300111.6I142 V145 E146 Y336 Q342 F343 A344I142-M340 HydrophobicContact CG2-CB 4.46Å; I142-M340 HydrophobicContact CG2-CG 4.25Å; I142-M340 HydrophobicContact CG2-SD 4.3Å; V145-M340 HydrophobicContact CB-CG 3.9Å; V145-M340 HydrophobicContact CG1-CG 3.63Å; V145-M340 HydrophobicContact CG1-SD 4.24Å; E146-M340 HydrophobicContact CG-SD 3.46Å; E146-M340 WeakPolarHBondContact CG-SD 3.5Å; Y336-M340 WeakPolarHBondContact O-CE 3.15Å; Y336-M340 WeakPolarHBondContact O-CG 3.5Å; Y336-M340 PolarHBondContact O-N 2.81Å; M340-Q342 VanDerWaalsContact C-N 3.29Å; M340-Q342 PolarHBondContact O-N 3.24Å; M340-F343 PolarHBondContact O-N 3.32Å; M340-A344 PolarHBondContact O-N 2.85Å
341N98Very high96.4Very high83 Ų8358.3 Ų58.344%0.44431%0.308SS..Hα-helixtrans-61.7-36.7175.4-72-9.8000112K337 W338 L339 A344 L345K337-N341 WeakPolarHBondContact O-CB 3.12Å; K337-N341 PolarHBondContact O-N 2.9Å; K337-N341 PolarHBondContact O-ND2 2.96Å; K337-N341 PolarHBondContact O-OD1 3.29Å; W338-N341 WeakPolarHBondContact O-CB 3.38Å; W338-N341 PolarHBondContact O-N 2.91Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.48Å; N341-A344 PolarHBondContact O-N 3.44Å; N341-L345 VanDerWaalsContact O-CG 3.28Å; N341-L345 WeakPolarHBondContact O-CG 3.26Å; N341-L345 PolarHBondContact O-N 3.32Å
342Q97.3Very high96.3Very high25 Ų2553.9 Ų53.912%0.11729%0.292CS..Hα-helixtrans-65.3-41.5175.5-67.1-49.3-61.800111.9I321 W338 L339 M340 A344 L345 V346I321-Q342 HydrophobicContact CD1-CB 3.54Å; I321-Q342 HydrophobicContact CG1-CB 3.57Å; I321-Q342 HydrophobicContact CG1-CG 4.1Å; W338-Q342 HydrophobicContact CD2-CG 3.88Å; W338-Q342 VanDerWaalsContact CE2-CG 3.48Å; W338-Q342 HydrophobicContact CE3-CG 4.23Å; W338-Q342 HydrophobicContact CH2-CG 3.86Å; W338-Q342 HydrophobicContact CZ2-CG 3.49Å; W338-Q342 VanDerWaalsContact CZ2-CG 3.49Å; W338-Q342 HydrophobicContact CZ3-CG 4.22Å; W338-Q342 WeakPolarHBondContact O-CG 3.35Å; W338-Q342 PolarHBondContact O-N 2.91Å; L339-Q342 PolarHBondContact O-N 2.8Å; M340-Q342 VanDerWaalsContact C-N 3.29Å; M340-Q342 PolarHBondContact O-N 3.24Å; Q342-A344 VanDerWaalsContact C-N 3.35Å; Q342-L345 PolarHBondContact O-N 3.15Å; Q342-V346 VanDerWaalsContact O-CG2 3.31Å; Q342-V346 WeakPolarHBondContact O-CG2 3.38Å; Q342-V346 PolarHBondContact O-N 3.42Å
343F97.3Very high96.4Very high3 Ų352.1 Ų52.11%0.01329%0.292CS..Hα-helixtrans-63.9-39.7174.2-71.2-57.6000112.3L138 A141 I142 V145 I234 L318 I321 L339 M340 L345 V346 A347L138-F343 HydrophobicContact CD2-CB 4.29Å; L138-F343 HydrophobicContact CD2-CD1 3.94Å; A141-F343 HydrophobicContact CB-CD1 3.87Å; A141-F343 HydrophobicContact CB-CD2 3.93Å; A141-F343 HydrophobicContact CB-CE1 3.95Å; A141-F343 HydrophobicContact CB-CE2 4Å; A141-F343 HydrophobicContact CB-CG 3.87Å; A141-F343 HydrophobicContact CB-CZ 4.01Å; I142-F343 HydrophobicContact CD1-CB 4.29Å; I142-F343 HydrophobicContact CG1-CB 3.81Å; V145-F343 HydrophobicContact CG2-CD2 4.42Å; V145-F343 HydrophobicContact CG2-CE2 3.96Å; I234-F343 HydrophobicContact CG2-CE1 4.38Å; L318-F343 HydrophobicContact CD2-CD1 4.1Å; L318-F343 HydrophobicContact CD2-CE1 3.9Å; I321-F343 HydrophobicContact CD1-CD1 3.78Å; I321-F343 HydrophobicContact CD1-CE1 3.72Å; I321-F343 HydrophobicContact CD1-CG 4.3Å; I321-F343 HydrophobicContact CD1-CZ 4.21Å; I321-F343 HydrophobicContact CG2-CZ 4.27Å; L339-F343 HydrophobicContact CD1-CD2 4.26Å; L339-F343 HydrophobicContact CD1-CE2 3.67Å; L339-F343 HydrophobicContact CD1-CZ 4.16Å; L339-F343 HydrophobicContact CD2-CE2 4.45Å; L339-F343 HydrophobicContact CG-CD2 4.27Å; L339-F343 HydrophobicContact CG-CE2 3.81Å; L339-F343 WeakPolarHBondContact O-CD2 3.29Å; L339-F343 PolarHBondContact O-N 2.89Å; L339-F343 VanDerWaalsContact O-N 3.15Å; M340-F343 PolarHBondContact O-N 3.32Å; F343-L345 VanDerWaalsContact C-N 3.32Å; F343-L345 PolarHBondContact O-N 3.3Å; F343-V346 WeakPolarHBondContact O-CB 3.29Å; F343-V346 PolarHBondContact O-N 3.3Å; F343-A347 PolarHBondContact O-N 2.96Å; F343-A347 VanDerWaalsContact O-N 3.07Å
344A97.3Very high96.4Very high28 Ų2850.5 Ų50.523%0.23128%0.28CS..Hα-helixtrans-63.6-37.2173.900000112.5I142 M340 N341 Q342 A347 N348 L354I142-A344 HydrophobicContact CD1-CB 4.42Å; M340-A344 PolarHBondContact O-N 2.85Å; N341-A344 PolarHBondContact O-N 3.44Å; Q342-A344 VanDerWaalsContact C-N 3.35Å; A344-A347 WeakPolarHBondContact O-CB 3.5Å; A344-A347 PolarHBondContact O-N 3.38Å; A344-N348 PolarHBondContact O-N 3.11Å; A344-N348 VanDerWaalsContact O-N 3.11Å; A344-L354 HydrophobicContact CB-CD1 4.09Å
345L97.4Very high96.3Very high61 Ų6156.5 Ų56.532%0.31931%0.312SS..Hα-helixtrans-68.1-33.2173.6-70.9171.6000112.6N341 Q342 F343 A347 N348 D349N341-L345 VanDerWaalsContact O-CG 3.28Å; N341-L345 WeakPolarHBondContact O-CG 3.26Å; N341-L345 PolarHBondContact O-N 3.32Å; Q342-L345 PolarHBondContact O-N 3.15Å; F343-L345 VanDerWaalsContact C-N 3.32Å; F343-L345 PolarHBondContact O-N 3.3Å; L345-A347 VanDerWaalsContact C-N 3.29Å; L345-N348 PolarHBondContact O-N 2.88Å; L345-D349 VanDerWaalsContact O-CG 3.28Å; L345-D349 PolarHBondContact O-N 3.01Å
346V95.2Very high96.2Very high1 Ų155.1 Ų55.11%0.00631%0.306CS..Hα-helixtrans-62.4-40.4170.9177.60000110.3L138 R317 L318 Q342 F343 N348 D349 E350L138-V346 HydrophobicContact CD1-CB 4.32Å; L138-V346 HydrophobicContact CD1-CG1 3.98Å; L138-V346 HydrophobicContact CD2-CB 4.01Å; L138-V346 HydrophobicContact CD2-CG1 3.89Å; R317-V346 HydrophobicContact CB-CG2 3.56Å; L318-V346 HydrophobicContact CD2-CG1 4.32Å; L318-V346 HydrophobicContact CD2-CG2 3.91Å; L318-V346 HydrophobicContact CG-CG1 4.21Å; L318-V346 HydrophobicContact CG-CG2 4.12Å; Q342-V346 VanDerWaalsContact O-CG2 3.31Å; Q342-V346 WeakPolarHBondContact O-CG2 3.38Å; Q342-V346 PolarHBondContact O-N 3.42Å; F343-V346 WeakPolarHBondContact O-CB 3.29Å; F343-V346 PolarHBondContact O-N 3.3Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 3.46Å; V346-D349 PolarHBondContact O-N 2.95Å; V346-E350 HydrophobicContact CG1-CG 4.38Å; V346-E350 WeakPolarHBondContact O-CB 3.34Å; V346-E350 WeakPolarHBondContact O-CG 3.29Å; V346-E350 PolarHBondContact O-N 3Å
347A96Very high96.1Very high0 Ų057.2 Ų57.20%032%0.321CS..Hα-helixtrans-60.7-43.9176.600000111.6L138 F343 A344 L345 E350 G351 V352 L354L138-A347 HydrophobicContact CD1-CB 3.72Å; F343-A347 PolarHBondContact O-N 2.96Å; F343-A347 VanDerWaalsContact O-N 3.07Å; A344-A347 WeakPolarHBondContact O-CB 3.5Å; A344-A347 PolarHBondContact O-N 3.38Å; L345-A347 VanDerWaalsContact C-N 3.29Å; A347-E350 CarbonylContact O-C 3.55Å; A347-E350 PolarHBondContact O-N 3Å; A347-G351 PolarHBondContact O-N 3.36Å; A347-V352 HydrophobicContact CB-CG2 3.92Å; A347-V352 PolarHBondContact O-N 3.11Å; A347-L354 HydrophobicContact CB-CD1 4.43Å; A347-L354 HydrophobicContact CB-CD2 3.87Å; A347-L354 HydrophobicContact CB-CG 3.94Å
348N96.2Very high96Very high117 Ų11750.3 Ų50.363%0.62629%0.291SS*.Hα-helixtrans-64.1-44.6175.8-67.8-17.2000112.5A344 L345 V346 E350 G351A344-N348 PolarHBondContact O-N 3.11Å; A344-N348 VanDerWaalsContact O-N 3.11Å; L345-N348 PolarHBondContact O-N 2.88Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 3.46Å; N348-E350 VanDerWaalsContact C-N 3.27Å; N348-E350 PolarHBondContact O-N 3.16Å; N348-G351 PolarHBondContact O-N 3.09Å; N348-G351 VanDerWaalsContact O-N 3.15Å
349D94Very high95.8Very high98 Ų9848 Ų4852%0.52428%0.284SS..Hα-helixtrans-62.2-35.6177.6-72.2-0.6000111.6R317 L345 V346 G351R317-D349 VanDerWaalsContact CD-OD2 3.24Å; R317-D349 WeakPolarHBondContact CD-OD2 3.3Å; R317-D349 IonicContact CZ-OD1 2.8Å; R317-D349 IonicContact CZ-OD2 3.06Å; R317-D349 VanDerWaalsContact NE-CG 3.31Å; R317-D349 IonicContact NE-OD1 2.74Å; R317-D349 PolarHBondContact NE-OD1 2.81Å; R317-D349 IonicContact NE-OD2 2.63Å; R317-D349 PolarHBondContact NE-OD2 3.42Å; R317-D349 IonicContact NH2-OD1 3.81Å; R317-D349 PolarHBondContact NH2-OD1 3.08Å; R317-D349 VanDerWaalsContact NH2-OD1 3.14Å; R317-D349 IonicContact NH2-OD2 3.99Å; L345-D349 VanDerWaalsContact O-CG 3.28Å; L345-D349 PolarHBondContact O-N 3.01Å; V346-D349 PolarHBondContact O-N 2.95Å; D349-G351 VanDerWaalsContact C-N 3.33Å
350E92.5Very high95.6Very high61 Ų6150.7 Ų50.729%0.28529%0.294SS..THydrogen-bonded Turntrans-85.9-1.8177.5-67.1-168.8-170.300113.4A134 K238 P315 V346 A347 N348 V352A134-E350 WeakPolarHBondContact CB-OE2 3.21Å; K238-E350 IonicContact NZ-OE1 2.67Å; K238-E350 PolarHBondContact NZ-OE1 3.25Å; K238-E350 IonicContact NZ-OE2 3.5Å; K238-E350 PolarHBondContact NZ-OE2 3.38Å; P315-E350 WeakPolarHBondContact CG-OE1 3.28Å; V346-E350 HydrophobicContact CG1-CG 4.38Å; V346-E350 WeakPolarHBondContact O-CB 3.34Å; V346-E350 WeakPolarHBondContact O-CG 3.29Å; V346-E350 PolarHBondContact O-N 3Å; A347-E350 CarbonylContact O-C 3.55Å; A347-E350 PolarHBondContact O-N 3Å; N348-E350 VanDerWaalsContact C-N 3.27Å; N348-E350 PolarHBondContact O-N 3.16Å; E350-V352 VanDerWaalsContact C-N 3.31Å; E350-V352 HydrophobicContact CB-CG2 4.3Å; E350-V352 PolarHBondContact O-N 3.04Å
351G95Very high95.2Very high70 Ų7053.2 Ų53.272%0.72231%0.306SS*.THydrogen-bonded Turntrans66.927.2179.500000114.3A347 N348 D349A347-G351 PolarHBondContact O-N 3.36Å; N348-G351 PolarHBondContact O-N 3.09Å; N348-G351 VanDerWaalsContact O-N 3.15Å; D349-G351 VanDerWaalsContact C-N 3.33Å
352V95Very high94.3Very high42 Ų4253.8 Ų53.826%0.25531%0.312SS..  trans-108.4139.1-178.5-62.10000112A134 L138 A347 E350A134-V352 HydrophobicContact CB-CG1 4.16Å; A134-V352 HydrophobicContact CB-CG2 4.24Å; L138-V352 HydrophobicContact CD1-CG2 4.12Å; A347-V352 HydrophobicContact CB-CG2 3.92Å; A347-V352 PolarHBondContact O-N 3.11Å; E350-V352 VanDerWaalsContact C-N 3.31Å; E350-V352 HydrophobicContact CB-CG2 4.3Å; E350-V352 PolarHBondContact O-N 3.04Å
353S95.8Very high92.7Very high61 Ų6157.2 Ų57.243%0.42733%0.328SS..  trans-84.2136.1174.6174.80000111.1S135 D355 T356S135-S353 PolarHBondContact OG-O 3.29Å; S353-D355 PolarHBondContact O-N 3.42Å; S353-D355 PolarHBondContact OG-N 3.04Å; S353-D355 VanDerWaalsContact OG-N 3.14Å; S353-T356 WeakPolarHBondContact O-CB 3.46Å; S353-T356 PolarHBondContact O-N 2.89Å; S353-T356 PolarHBondContact O-OG1 2.96Å
354L95.3Very high90.2Very high51 Ų5164 Ų6427%0.26736%0.36SS..THydrogen-bonded Turntrans-76-4.6173.5-67.2174.7000113.5L138 Q139 I142 A344 A347L138-L354 HydrophobicContact CB-CD2 3.89Å; Q139-L354 HydrophobicContact CG-CB 4.4Å; Q139-L354 HydrophobicContact CG-CD2 4.1Å; Q139-L354 VanDerWaalsContact CG-O 3.25Å; Q139-L354 WeakPolarHBondContact CG-O 3.36Å; Q139-L354 PolarHBondContact OE1-O 3.23Å; I142-L354 HydrophobicContact CD1-CD1 3.58Å; I142-L354 HydrophobicContact CD1-CD2 4.08Å; I142-L354 HydrophobicContact CD1-CG 4.49Å; A344-L354 HydrophobicContact CB-CD1 4.09Å; A347-L354 HydrophobicContact CB-CD1 4.43Å; A347-L354 HydrophobicContact CB-CD2 3.87Å; A347-L354 HydrophobicContact CB-CG 3.94Å
355D94.5Very high87.6Confident133 Ų13367.7 Ų67.771%0.71138%0.382SS*.THydrogen-bonded Turntrans-95.9-8.3174.7-60.8-53.5000112.6R175 S353R175-D355 PolarHBondContact NH2-O 3.22Å; S353-D355 PolarHBondContact O-N 3.42Å; S353-D355 PolarHBondContact OG-N 3.04Å; S353-D355 VanDerWaalsContact OG-N 3.14Å
356T94.6Very high84.8Confident57 Ų5770.7 Ų70.735%0.3541%0.405SS..SBendtrans-53.3136.4177.4-48.90000109.9S135 Q139 R175 S353S135-T356 WeakPolarHBondContact OG-CB 3.49Å; Q139-T356 PolarHBondContact NE2-O 2.84Å; R175-T356 PolarHBondContact NH2-O 3.4Å; S353-T356 WeakPolarHBondContact O-CB 3.46Å; S353-T356 PolarHBondContact O-N 2.89Å; S353-T356 PolarHBondContact O-OG1 2.96Å
357P94.9Very high81.7Confident53 Ų5378.9 Ų78.934%0.34444%0.44SS..PPolyproline II helixtrans-52.8147.1172.6-23.833.6000111.9E361 T362P357-E361 HydrophobicContact CB-CB 3.85Å; P357-T362 HydrophobicContact CB-CG2 3.92Å; P357-T362 HydrophobicContact CG-CG2 4.39Å
358F95.9Very high78.9Confident2 Ų285.9 Ų85.91%0.00948%0.478CS..PPolyproline II helixtrans-60.5155.7171.6-70.4-60.5000110.6T136 Q139 I140 L168 R175 W360 E361T136-F358 HydrophobicContact CG2-CD1 3.77Å; T136-F358 HydrophobicContact CG2-CE1 4.39Å; T136-F358 WeakPolarHBondContact OG1-CA 3.37Å; Q139-F358 HydrophobicContact CB-CE1 3.68Å; Q139-F358 HydrophobicContact CB-CZ 4.14Å; Q139-F358 HydrophobicContact CG-CE1 4.48Å; I140-F358 HydrophobicContact CG1-CE1 4.29Å; L168-F358 HydrophobicContact CD2-CE2 4.41Å; R175-F358 HydrophobicContact CB-CD2 4.4Å; R175-F358 HydrophobicContact CB-CE2 3.92Å; R175-F358 HydrophobicContact CG-CD2 4.11Å; R175-F358 HydrophobicContact CG-CE2 4.14Å; F358-W360 VanDerWaalsContact C-N 3.27Å; F358-W360 HydrophobicContact CB-CD2 3.99Å; F358-W360 VanDerWaalsContact CB-CE2 3.41Å; F358-W360 HydrophobicContact CB-CE3 4.5Å; F358-W360 HydrophobicContact CB-CH2 4.03Å; F358-W360 HydrophobicContact CB-CZ2 3.42Å; F358-W360 VanDerWaalsContact CB-CZ2 3.42Å; F358-W360 HydrophobicContact CD1-CH2 4.02Å; F358-W360 AromaticContact CD1-CZ2 3.89Å; F358-W360 HydrophobicContact CD1-CZ2 3.89Å; F358-W360 AromaticContact CD2-CZ2 3.78Å; F358-W360 HydrophobicContact CD2-CZ2 3.78Å; F358-W360 HydrophobicContact CE2-CZ2 4.48Å; F358-W360 AromaticContact CG-CE2 3.93Å; F358-W360 HydrophobicContact CG-CH2 4.02Å; F358-W360 AromaticContact CG-CZ2 3.43Å; F358-W360 HydrophobicContact CG-CZ2 3.43Å; F358-W360 VanDerWaalsContact CG-CZ2 3.43Å; F358-W360 PolarHBondContact O-N 3.47Å; F358-E361 HydrophobicContact CB-CG 4.22Å; F358-E361 WeakPolarHBondContact CB-OE2 3.3Å; F358-E361 WeakPolarHBondContact CD2-OE2 3.38Å; F358-E361 PolarHBondContact N-OE2 2.82Å; F358-E361 WeakPolarHBondContact O-CB 3.42Å; F358-E361 PolarHBondContact O-N 2.97Å
359D94.7Very high75.9Confident25 Ų2587 Ų8713%0.13449%0.489CS..Hα-helixtrans-54.9-45.2-171.3-58.2-15.5000111.8F132 S133 T136 E361 T362 E363F132-D359 WeakPolarHBondContact CA-OD2 3.44Å; F132-D359 WeakPolarHBondContact CB-OD2 3.41Å; S133-D359 WeakPolarHBondContact CB-OD1 3.27Å; S133-D359 PolarHBondContact N-OD2 2.97Å; S133-D359 PolarHBondContact OG-OD1 2.9Å; T136-D359 WeakPolarHBondContact CB-OD1 3.43Å; T136-D359 PolarHBondContact OG1-N 3.05Å; T136-D359 VanDerWaalsContact OG1-N 3.14Å; T136-D359 PolarHBondContact OG1-OD1 3.41Å; D359-E361 VanDerWaalsContact C-N 3.27Å; D359-E361 PolarHBondContact O-N 3.03Å; D359-T362 PolarHBondContact O-N 2.94Å; D359-T362 VanDerWaalsContact O-N 3.17Å; D359-T362 PolarHBondContact O-OG1 2.93Å; D359-E363 PolarHBondContact O-N 3.5Å
360W92.8Very high73.2Confident58 Ų5892.2 Ų92.222%0.2251%0.507CS..Hα-helixtrans-71.4-11.4178.255.577.9000114.8L120 L123 F132 T136 I140 L168 F358 T362L120-W360 HydrophobicContact CD2-CH2 4.36Å; L123-W360 HydrophobicContact CB-CE3 4.07Å; L123-W360 HydrophobicContact CB-CZ3 4.08Å; L123-W360 HydrophobicContact CD1-CD2 4.1Å; L123-W360 HydrophobicContact CD1-CE3 4.05Å; L123-W360 HydrophobicContact CD1-CH2 3.8Å; L123-W360 HydrophobicContact CD1-CZ2 3.86Å; L123-W360 HydrophobicContact CD1-CZ3 3.9Å; L123-W360 HydrophobicContact CD2-CB 4.42Å; L123-W360 HydrophobicContact CD2-CD2 3.83Å; L123-W360 HydrophobicContact CD2-CE3 3.97Å; L123-W360 HydrophobicContact CD2-CG 4.02Å; L123-W360 HydrophobicContact CG-CD2 4.44Å; L123-W360 HydrophobicContact CG-CE3 4.25Å; L123-W360 HydrophobicContact CG-CZ3 4.42Å; F132-W360 HydrophobicContact CD1-CZ3 4.31Å; F132-W360 HydrophobicContact CE1-CE3 4.28Å; F132-W360 AromaticContact CE1-CZ3 3.83Å; F132-W360 HydrophobicContact CE1-CZ3 3.83Å; F132-W360 HydrophobicContact CE2-CZ3 4.45Å; F132-W360 AromaticContact CZ-CZ3 3.91Å; F132-W360 HydrophobicContact CZ-CZ3 3.91Å; T136-W360 HydrophobicContact CG2-CH2 3.93Å; T136-W360 HydrophobicContact CG2-CZ3 3.85Å; I140-W360 HydrophobicContact CD1-CH2 4.36Å; L168-W360 HydrophobicContact CD1-CZ2 3.48Å; L168-W360 VanDerWaalsContact CD1-CZ2 3.48Å; L168-W360 HydrophobicContact CD2-CZ2 4.07Å; L168-W360 HydrophobicContact CG-CZ2 4.24Å; F358-W360 VanDerWaalsContact C-N 3.27Å; F358-W360 HydrophobicContact CB-CD2 3.99Å; F358-W360 VanDerWaalsContact CB-CE2 3.41Å; F358-W360 HydrophobicContact CB-CE3 4.5Å; F358-W360 HydrophobicContact CB-CH2 4.03Å; F358-W360 HydrophobicContact CB-CZ2 3.42Å; F358-W360 VanDerWaalsContact CB-CZ2 3.42Å; F358-W360 HydrophobicContact CD1-CH2 4.02Å; F358-W360 AromaticContact CD1-CZ2 3.89Å; F358-W360 HydrophobicContact CD1-CZ2 3.89Å; F358-W360 AromaticContact CD2-CZ2 3.78Å; F358-W360 HydrophobicContact CD2-CZ2 3.78Å; F358-W360 HydrophobicContact CE2-CZ2 4.48Å; F358-W360 AromaticContact CG-CE2 3.93Å; F358-W360 HydrophobicContact CG-CH2 4.02Å; F358-W360 AromaticContact CG-CZ2 3.43Å; F358-W360 HydrophobicContact CG-CZ2 3.43Å; F358-W360 VanDerWaalsContact CG-CZ2 3.43Å; F358-W360 PolarHBondContact O-N 3.47Å; W360-T362 VanDerWaalsContact C-N 3.35Å
361E90.4Very high70.4Confident89 Ų8999.4 Ų99.442%0.41654%0.537SS..Hα-helixtrans-78.1-23.7171.7-66.6179.877.500111.6R175 P357 F358 D359R175-E361 IonicContact CZ-OE2 3.16Å; R175-E361 IonicContact NE-OE2 2.7Å; R175-E361 IonicContact NH1-OE1 3.62Å; R175-E361 IonicContact NH1-OE2 2.96Å; P357-E361 HydrophobicContact CB-CB 3.85Å; F358-E361 HydrophobicContact CB-CG 4.22Å; F358-E361 WeakPolarHBondContact CB-OE2 3.3Å; F358-E361 WeakPolarHBondContact CD2-OE2 3.38Å; F358-E361 PolarHBondContact N-OE2 2.82Å; F358-E361 WeakPolarHBondContact O-CB 3.42Å; F358-E361 PolarHBondContact O-N 2.97Å; D359-E361 VanDerWaalsContact C-N 3.27Å; D359-E361 PolarHBondContact O-N 3.03Å
362T79.3Confident67.7Low95 Ų95100.9 Ų100.958%0.58353%0.529SS*.Hα-helixtrans-99.1-19.4-176.963.80000114P357 D359 W360 Q364P357-T362 HydrophobicContact CB-CG2 3.92Å; P357-T362 HydrophobicContact CG-CG2 4.39Å; D359-T362 PolarHBondContact O-N 2.94Å; D359-T362 VanDerWaalsContact O-N 3.17Å; D359-T362 PolarHBondContact O-OG1 2.93Å; W360-T362 VanDerWaalsContact C-N 3.35Å; T362-Q364 PolarHBondContact O-N 3.47Å
363E63.9Low65.1Low97 Ų97104.7 Ų104.745%0.45356%0.557SS.*SBendtrans-63.7105.6174.1-72.4-177.2178.700109.3P128 D359P128-E363 VanDerWaalsContact CD-OE1 3.24Å; P128-E363 WeakPolarHBondContact CD-OE1 3.33Å; P128-E363 WeakPolarHBondContact CG-OE1 3.49Å; D359-E363 PolarHBondContact O-N 3.5Å
364Q43.2Very low62.7Low144 Ų144110.2 Ų110.267%0.67357%0.568SS**PPolyproline II helixtrans-57.2131.4168.4-70.3-171.3-5.500107.6T362T362-Q364 PolarHBondContact O-N 3.47Å
365P43.1Very low60.1Low107 Ų107116.8 Ų116.870%0.69560%0.598SS**PPolyproline II helixtrans-53.7144.7171.522-31.1000108.4K367P365-K367 PolarHBondContact O-N 2.91Å
366P37.9Very low57.7Low124 Ų124115.1 Ų115.181%0.80559%0.592SS**PPolyproline II helixtrans-47.6123.4-178-23.929.7000109.4D368P366-D368 PolarHBondContact O-N 3.47Å
367K31.3Very low55.5Low173 Ų173113.3 Ų113.375%0.75258%0.582SS**SBendtrans-67.980.1173.5-75.8-176.7-179.8175.20108.1P365P365-K367 PolarHBondContact O-N 2.91Å
368D36.8Very low53.7Low146 Ų146119.1 Ų119.178%0.78161%0.605SS**  trans-173100.2154.3-91.9-29.2000110.1P366P366-D368 PolarHBondContact O-N 3.47Å
369T34.3Very low51.8Low141 Ų141120.3 Ų120.387%0.86561%0.609SS**SBend172.3137.5125.132.40000108.4K371T369-K371 PolarHBondContact O-N 2.98Å
370K36.4Very low49.7Very low207 Ų207121.2 Ų121.290%0.962%0.617SS**  trans-42.7130.1-176.7-67.3172.8177175.90111.3D372K370-D372 PolarHBondContact O-N 3.16Å
371K33.4Very low47.7Very low213 Ų213120 Ų12093%0.92661%0.612SS**  trans-53.597.9169.1-76.3-178.5175179.60109.4T369T369-K371 PolarHBondContact O-N 2.98Å
372D39.2Very low46Very low101 Ų101116.8 Ų116.854%0.5460%0.597SS.*  trans-72.2125.3152.6-172.31.2000106.1K370 R374K370-D372 PolarHBondContact O-N 3.16Å; D372-R374 PolarHBondContact O-N 3.24Å
373S40.5Very low44.9Very low121 Ų121118.8 Ų118.885%0.84659%0.594SS**SBendtrans-73.725.4-170.153.70000114.1
374R45.4Very low44.3Very low177 Ų177120.3 Ų120.367%0.66860%0.601SS**SBendtrans-87.3132.2168.3-64.3178.6-169.7174.84.3107.4D372 V376D372-R374 PolarHBondContact O-N 3.24Å; R374-V376 VanDerWaalsContact C-N 3.26Å; R374-V376 WeakPolarHBondContact O-CG2 3.21Å; R374-V376 PolarHBondContact O-N 2.94Å
375Q39.5Very low44.5Very low189 Ų189114.8 Ų114.888%0.88357%0.574SS**  trans-60.490.5173.8-74.7178.9-16.400108.9S377Q375-S377 PolarHBondContact O-N 3.23Å
376V45.7Very low45.2Very low98 Ų98113.8 Ų113.859%0.59456%0.56SS**  trans-70.8121.4177.4-177.90000107.5R374 E378 R383R374-V376 VanDerWaalsContact C-N 3.26Å; R374-V376 WeakPolarHBondContact O-CG2 3.21Å; R374-V376 PolarHBondContact O-N 2.94Å; V376-E378 PolarHBondContact O-N 3.04Å; V376-R383 HydrophobicContact CG1-CG 4.19Å
377S48.4Very low46.1Very low20 Ų20110.2 Ų110.214%0.1454%0.542CS..  trans-60.3135.2176.4163.20000111.8Q375 Y379 E382Q375-S377 PolarHBondContact O-N 3.23Å; S377-Y379 PolarHBondContact O-N 3.12Å; S377-Y379 PolarHBondContact OG-N 3.21Å; S377-Y379 VanDerWaalsContact OG-N 3.16Å; S377-E382 WeakPolarHBondContact OG-CB 3.36Å; S377-E382 PolarHBondContact OG-OE2 3.45Å
378E56.7Low47.1Very low174 Ų174106.3 Ų106.381%0.81353%0.526SS*.SBendtrans-64-24.3176.2-168.7175.8179.200113V376V376-E378 PolarHBondContact O-N 3.04Å
379Y55.4Low47.8Very low27 Ų27104.3 Ų104.311%0.10651%0.51CS..SBendtrans-84.3125.3-177.1-58.6-73.3000112.3R170 S377 Y381 E382 R383R170-Y379 HydrophobicContact CG-CE1 4.45Å; R170-Y379 VanDerWaalsContact CZ-CE2 3.48Å; R170-Y379 VanDerWaalsContact NH2-CE2 3.28Å; S377-Y379 PolarHBondContact O-N 3.12Å; S377-Y379 PolarHBondContact OG-N 3.21Å; S377-Y379 VanDerWaalsContact OG-N 3.16Å; Y379-Y381 VanDerWaalsContact C-N 3.33Å; Y379-Y381 PolarHBondContact O-N 2.72Å; Y379-E382 PolarHBondContact O-N 2.91Å; Y379-R383 PolarHBondContact O-N 2.93Å
380P51.4Low48.7Very low45 Ų45101.2 Ų101.229%0.29249%0.491SS..Hα-helixtrans-54.3-39.5-175.3-28.334.2000115.5R383P380-R383 WeakPolarHBondContact O-CB 3.34Å; P380-R383 PolarHBondContact O-N 3.36Å
381Y50.8Low49.4Very low33 Ų3396.8 Ų96.813%0.12948%0.481CS..Hα-helixtrans-73.8-24.4-179.947.8-100.7000113.2L26 A116 Y379 R383 Q384 Y385L26-Y381 HydrophobicContact CD2-CD1 4.34Å; L26-Y381 HydrophobicContact CD2-CD2 3.84Å; L26-Y381 HydrophobicContact CD2-CE2 4.12Å; L26-Y381 HydrophobicContact CD2-CG 3.97Å; A116-Y381 PolarHBondContact O-OH 3Å; Y379-Y381 VanDerWaalsContact C-N 3.33Å; Y379-Y381 PolarHBondContact O-N 2.72Å; Y381-R383 VanDerWaalsContact C-N 3.34Å; Y381-Q384 PolarHBondContact O-N 3.43Å; Y381-Y385 PolarHBondContact O-N 3.15Å; Y381-Y385 VanDerWaalsContact O-N 3.16Å
382E54.4Low50Low20 Ų2095.9 Ų95.99%0.09347%0.472CS..Hα-helixtrans-73.7-30.3175.5-59.9-167.3-177.700111.4K36 R170 S377 Y379 Q384 Y385 E386K36-E382 VanDerWaalsContact NZ-CG 3.26Å; K36-E382 IonicContact NZ-OE1 2.95Å; K36-E382 PolarHBondContact NZ-OE1 2.86Å; K36-E382 IonicContact NZ-OE2 3.78Å; K36-E382 PolarHBondContact NZ-OE2 2.82Å; R170-E382 IonicContact CZ-OE1 2.69Å; R170-E382 VanDerWaalsContact CZ-OE1 3.25Å; R170-E382 IonicContact NH1-OE1 2.81Å; R170-E382 PolarHBondContact NH1-OE1 3.24Å; R170-E382 IonicContact NH2-OE1 2.9Å; R170-E382 PolarHBondContact NH2-OE1 3.41Å; R170-E382 IonicContact NH2-OE2 3.53Å; S377-E382 WeakPolarHBondContact OG-CB 3.36Å; S377-E382 PolarHBondContact OG-OE2 3.45Å; Y379-E382 PolarHBondContact O-N 2.91Å; E382-Q384 VanDerWaalsContact C-N 3.32Å; E382-Q384 PolarHBondContact O-N 2.94Å; E382-Y385 PolarHBondContact O-N 2.79Å; E382-E386 WeakPolarHBondContact O-CG 3.29Å; E382-E386 PolarHBondContact O-N 2.99Å
383R56.5Low49.7Very low138 Ų13895.8 Ų95.852%0.52148%0.478SS..Hα-helixtrans-62-39.7170.2-65.2-173-73.3177.8-6.6111.8V376 Y379 P380 Y381 A387V376-R383 HydrophobicContact CG1-CG 4.19Å; Y379-R383 PolarHBondContact O-N 2.93Å; P380-R383 WeakPolarHBondContact O-CB 3.34Å; P380-R383 PolarHBondContact O-N 3.36Å; Y381-R383 VanDerWaalsContact C-N 3.34Å; R383-A387 WeakPolarHBondContact O-CB 3.24Å; R383-A387 PolarHBondContact O-N 2.81Å
384Q50.9Low49.4Very low128 Ų12898.1 Ų98.160%0.59847%0.473SS*.Hα-helixtrans-63.4-44.1174-74.1177.6-25.800111.5Y381 E382 A387 E388Y381-Q384 PolarHBondContact O-N 3.43Å; E382-Q384 VanDerWaalsContact C-N 3.32Å; E382-Q384 PolarHBondContact O-N 2.94Å; Q384-A387 WeakPolarHBondContact O-CB 3.37Å; Q384-A387 PolarHBondContact O-N 2.88Å; Q384-E388 WeakPolarHBondContact O-CB 3.21Å; Q384-E388 WeakPolarHBondContact O-CG 3.39Å; Q384-E388 PolarHBondContact O-N 3.03Å
385Y46.4Very low48.9Very low29 Ų2995.1 Ų95.111%0.11448%0.477CS..Hα-helixtrans-65-41.8176.9175.2-105.4000113.9A23 L24 Y381 E382 A387 E388 K389A23-Y385 HydrophobicContact CB-CD2 4.31Å; A23-Y385 HydrophobicContact CB-CE2 3.85Å; A23-Y385 WeakPolarHBondContact O-CD2 3.43Å; A23-Y385 WeakPolarHBondContact O-CE2 3.39Å; L24-Y385 HydrophobicContact CB-CD2 4.39Å; L24-Y385 VanDerWaalsContact CD2-CB 3.5Å; L24-Y385 HydrophobicContact CD2-CD2 4.31Å; L24-Y385 HydrophobicContact CD2-CG 4.06Å; Y381-Y385 PolarHBondContact O-N 3.15Å; Y381-Y385 VanDerWaalsContact O-N 3.16Å; E382-Y385 PolarHBondContact O-N 2.79Å; Y385-A387 VanDerWaalsContact C-N 3.31Å; Y385-E388 PolarHBondContact O-N 3.26Å; Y385-K389 HydrophobicContact CD1-CD 4.42Å; Y385-K389 HydrophobicContact CE1-CD 3.72Å; Y385-K389 HydrophobicContact CE1-CG 4.4Å; Y385-K389 WeakPolarHBondContact O-CB 3.23Å; Y385-K389 PolarHBondContact O-N 2.81Å; Y385-K389 WeakPolarHBondContact OH-CE 3.28Å; Y385-K389 PolarHBondContact OH-NZ 3.05Å
386E58.2Low48.8Very low85 Ų8595.8 Ų95.840%0.39748%0.477SS..Hα-helixtrans-62.1-42.2174-74.4-175.4175.400111E382 K389 T390E382-E386 WeakPolarHBondContact O-CG 3.29Å; E382-E386 PolarHBondContact O-N 2.99Å; E386-K389 WeakPolarHBondContact O-CB 3.4Å; E386-K389 PolarHBondContact O-N 3.2Å; E386-T390 PolarHBondContact O-N 2.74Å; E386-T390 PolarHBondContact O-OG1 3.46Å
387A57.7Low48.3Very low50 Ų50100.6 Ų100.641%0.41349%0.49SS..Hα-helixtrans-60.3-47.5174.100000111.9R383 Q384 Y385 K389 T390 V391R383-A387 WeakPolarHBondContact O-CB 3.24Å; R383-A387 PolarHBondContact O-N 2.81Å; Q384-A387 WeakPolarHBondContact O-CB 3.37Å; Q384-A387 PolarHBondContact O-N 2.88Å; Y385-A387 VanDerWaalsContact C-N 3.31Å; A387-K389 PolarHBondContact O-N 3.46Å; A387-T390 WeakPolarHBondContact CA-OG1 3.31Å; A387-T390 PolarHBondContact O-N 2.79Å; A387-T390 PolarHBondContact O-OG1 2.85Å; A387-V391 WeakPolarHBondContact O-CG2 3.34Å; A387-V391 PolarHBondContact O-N 3.06Å
388E51Low47.6Very low91 Ų91108.6 Ų108.643%0.42552%0.524SS..Hα-helixtrans-63.1-39177.3-75.2177-173.200112.6Q384 Y385 V391 R392Q384-E388 WeakPolarHBondContact O-CB 3.21Å; Q384-E388 WeakPolarHBondContact O-CG 3.39Å; Q384-E388 PolarHBondContact O-N 3.03Å; Y385-E388 PolarHBondContact O-N 3.26Å; E388-V391 PolarHBondContact O-N 3.36Å; E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 VanDerWaalsContact O-N 3.11Å
389K51.5Low46.7Very low104 Ų104105.6 Ų105.645%0.45252%0.523SS..Hα-helixtrans-58.9-47.2171.3-103.3-176.9167168.10111.3Y385 E386 A387 V391 R392 C393Y385-K389 HydrophobicContact CD1-CD 4.42Å; Y385-K389 HydrophobicContact CE1-CD 3.72Å; Y385-K389 HydrophobicContact CE1-CG 4.4Å; Y385-K389 WeakPolarHBondContact O-CB 3.23Å; Y385-K389 PolarHBondContact O-N 2.81Å; Y385-K389 WeakPolarHBondContact OH-CE 3.28Å; Y385-K389 PolarHBondContact OH-NZ 3.05Å; E386-K389 WeakPolarHBondContact O-CB 3.4Å; E386-K389 PolarHBondContact O-N 3.2Å; A387-K389 PolarHBondContact O-N 3.46Å; K389-V391 VanDerWaalsContact C-N 3.32Å; K389-V391 PolarHBondContact O-N 2.94Å; K389-R392 PolarHBondContact O-N 3.4Å; K389-C393 WeakPolarHBondContact O-CB 3.07Å; K389-C393 PolarHBondContact O-N 2.71Å; K389-C393 PolarHBondContact O-SG 2.63Å; K389-C393 VanDerWaalsContact O-SG 3.4Å
390T54Low45.6Very low75 Ų75113 Ų11346%0.4656%0.558SS.*Hα-helixtrans-65.1-31.5177.729.80000113.7E386 A387 C393 K394E386-T390 PolarHBondContact O-N 2.74Å; E386-T390 PolarHBondContact O-OG1 3.46Å; A387-T390 WeakPolarHBondContact CA-OG1 3.31Å; A387-T390 PolarHBondContact O-N 2.79Å; A387-T390 PolarHBondContact O-OG1 2.85Å; T390-C393 PolarHBondContact O-N 3.37Å; T390-K394 PolarHBondContact O-N 2.8Å
391V50.8Low45Very low114 Ų114119.4 Ų119.469%0.69158%0.584SS**Hα-helixtrans-68.3-40.8175.1175.30000110.9A387 E388 K389A387-V391 WeakPolarHBondContact O-CG2 3.34Å; A387-V391 PolarHBondContact O-N 3.06Å; E388-V391 PolarHBondContact O-N 3.36Å; K389-V391 VanDerWaalsContact C-N 3.32Å; K389-V391 PolarHBondContact O-N 2.94Å
392R45.8Very low44.3Very low194 Ų194126.7 Ų126.773%0.73262%0.617SS**Hα-helixtrans-71.6-28.2175-89.6-173.3176.3177.82.4113.8I12 E388 K389I12-R392 PolarHBondContact O-NH1 3.22Å; I12-R392 VanDerWaalsContact O-NH1 3.11Å; E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 VanDerWaalsContact O-N 3.11Å; K389-R392 PolarHBondContact O-N 3.4Å
393C33.6Very low43.4Very low99 Ų99133.2 Ų133.267%0.66965%0.652SS**THydrogen-bonded Turntrans-89.53.2-177.6-71.80000115K389 T390 P395K389-C393 WeakPolarHBondContact O-CB 3.07Å; K389-C393 PolarHBondContact O-N 2.71Å; K389-C393 PolarHBondContact O-SG 2.63Å; K389-C393 VanDerWaalsContact O-SG 3.4Å; T390-C393 PolarHBondContact O-N 3.37Å; C393-P395 WeakPolarHBondContact O-CD 3.09Å
394K33.7Very low42.5Very low170 Ų170136.1 Ų136.174%0.73967%0.672SS**SBendtrans-72.8111.6166.4-76.6-174.9-179.8179.40108.3T390 K396T390-K394 PolarHBondContact O-N 2.8Å; K394-K396 PolarHBondContact O-N 3.41Å
395P34.4Very low41.7Very low115 Ų115138.9 Ų138.975%0.74769%0.685SS**PPolyproline II helixtrans-58.2137.3172.824.1-30.9000108.3C393 K397C393-P395 WeakPolarHBondContact O-CD 3.09Å; P395-K397 PolarHBondContact O-N 2.94Å
396K36.7Very low41.3Very low203 Ų203150.4 Ų150.488%0.88374%0.74SS**PPolyproline II helixtrans-49.1119.5170-76.3-179174.9-1790106.7K394 E398K394-K396 PolarHBondContact O-N 3.41Å; K396-E398 PolarHBondContact O-N 3.46Å; K396-E398 VanDerWaalsContact O-N 3.07Å
397K35.5Very low40.5Very low199 Ų199153.7 Ų153.787%0.86576%0.757SS**PPolyproline II helixtrans-54.7119.1167.1-80.1-174.8171.9-172.80106.2P395 S399P395-K397 PolarHBondContact O-N 2.94Å; K397-S399 VanDerWaalsContact C-N 3.27Å; K397-S399 PolarHBondContact O-N 3.38Å
398E33.5Very low39.6Very low187 Ų187159.2 Ų159.287%0.87478%0.775SS**  trans-55.3100162-73.3169.915900105.9K396 E400K396-E398 PolarHBondContact O-N 3.46Å; K396-E398 VanDerWaalsContact O-N 3.07Å; E398-E400 VanDerWaalsContact C-N 3.3Å; E398-E400 PolarHBondContact O-N 2.68Å; E398-E400 VanDerWaalsContact O-N 3.14Å
399S37.7Very low38.9Very low112 Ų112162.9 Ų162.978%0.78379%0.794SS**  trans-75.794.8165.450.40000106.2K397 E401K397-S399 VanDerWaalsContact C-N 3.27Å; K397-S399 PolarHBondContact O-N 3.38Å; S399-E401 PolarHBondContact O-N 2.64Å
400E33.8Very low38.2Very low181 Ų181166.4 Ų166.485%0.84682%0.815SS**  trans-51.3118.3151.6-63.6173.2147.500109E398E398-E400 VanDerWaalsContact C-N 3.3Å; E398-E400 PolarHBondContact O-N 2.68Å; E398-E400 VanDerWaalsContact O-N 3.14Å
401E37.2Very low37.2Very low180 Ų180172.1 Ų172.184%0.84184%0.837SS**  trans-170.287153.7-110.4168.1-175.900105.9S399S399-E401 PolarHBondContact O-N 2.64Å
402K36.8Very low36.3Very low186 Ų186176 Ų17681%0.80985%0.846SS**  74.7100.893.6-81.1-171.7176.8-178.80112.7E404K402-E404 PolarHBondContact O-N 2.73Å
403D35.7Very low35.6Very low157 Ų157174.7 Ų174.784%0.8486%0.855SS**  trans2.7108.7136.9-50.4-40.8000115.3
404E38.2Very low35.8Very low199 Ų199180.5 Ų180.593%0.9387%0.869SS**  trans-116.589.9149.2-76.6-174.3168.600106.7K402K402-E404 PolarHBondContact O-N 2.73Å
405E33.4Very low36Very low187 Ų187181.4 Ų181.487%0.87488%0.88SS**  trans-71.1116.7152.7-72.7-179.1150.100107.9
406E38.6Very low36.1Very low271 Ų271187.5 Ų187.5100%1.26689%0.892SS**  trans-163.40134.9-109.2-177.5-176.700110.9

Retrieved 406 of 406 residues in 328.5 ms (Link to these results)

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