A0A077ZI24_TRITR Loading...

Ank 2 and Ank domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI24, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 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
1M90.4Very high94.1Very high40 Ų4075.4 Ų75.420%0.19736%0.359CS..  0-61.20-170.15912500111.2A4 T5 V13 L17 V21 A30 L46M1-A4 PolarHBondContact O-N 3.38Å; M1-T5 PolarHBondContact O-N 3.22Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.17Å; M1-V13 HydrophobicContact CE-CG1 4.29Å; M1-V13 HydrophobicContact SD-CG1 3.89Å; M1-V13 HydrophobicContact SD-CG2 4.46Å; M1-L17 HydrophobicContact CE-CD1 4.45Å; M1-L17 HydrophobicContact CE-CD2 3.35Å; M1-L17 HydrophobicContact CE-CG 3.76Å; M1-V21 HydrophobicContact CE-CG1 4.47Å; M1-A30 HydrophobicContact CG-CB 3.82Å; M1-L46 HydrophobicContact CE-CD2 3.5Å; M1-L46 VanDerWaalsContact CE-CD2 3.5Å; M1-L46 HydrophobicContact SD-CD2 4.29Å
2F90.1Very high94.2Very high83 Ų8372.4 Ų72.436%0.36436%0.357SS..Hα-helixtrans-51.4-63.5-179.3178.6-95.6000113.8A4 T5 E6 I29 V33F2-A4 VanDerWaalsContact C-N 3.31Å; F2-A4 PolarHBondContact O-N 2.9Å; F2-T5 CarbonylContact O-C 3.57Å; F2-T5 WeakPolarHBondContact O-CA 3.49Å; F2-T5 WeakPolarHBondContact O-CB 3.45Å; F2-T5 PolarHBondContact O-N 3.18Å; F2-E6 WeakPolarHBondContact CE1-OE2 3.47Å; F2-E6 PolarHBondContact O-N 2.99Å; F2-I29 HydrophobicContact CD2-CG2 3.62Å; F2-I29 HydrophobicContact CE2-CG2 3.89Å; F2-V33 HydrophobicContact CD2-CG2 4.24Å; F2-V33 HydrophobicContact CE2-CG2 3.68Å; F2-V33 HydrophobicContact CZ-CG2 4.5Å
3F92.7Very high94.3Very high157 Ų15766.8 Ų66.869%0.68933%0.33SS*.Hα-helixtrans-57.3-41.1-176.6-61-64000113.4T5 E6 E7F3-T5 PolarHBondContact O-N 3.12Å; F3-E6 PolarHBondContact O-N 3.44Å; F3-E7 PolarHBondContact O-N 2.83Å; F3-E7 VanDerWaalsContact O-N 3.14Å
4A94.4Very high94.3Very high13 Ų1364 Ų6411%0.10732%0.319CS..Hα-helixtrans-63-33.2175.400000112.4M1 F2 G8 H9 A12 V13 L16M1-A4 PolarHBondContact O-N 3.38Å; F2-A4 VanDerWaalsContact C-N 3.31Å; F2-A4 PolarHBondContact O-N 2.9Å; A4-G8 PolarHBondContact O-N 2.89Å; A4-H9 HydrophobicContact CB-CB 4.44Å; A4-H9 WeakPolarHBondContact O-CB 3.41Å; A4-H9 PolarHBondContact O-N 3.01Å; A4-A12 HydrophobicContact CB-CB 3.97Å; A4-V13 HydrophobicContact CB-CG2 3.84Å; A4-L16 HydrophobicContact CB-CD1 4.29Å
5T94.2Very high94.4Very high0 Ų070.5 Ų70.50%034%0.34CS..Hα-helixtrans-77.5-39.1177.1-52.90000111.5M1 F2 F3 E7 G8 A30 V33 A34 Y39 L42 L46M1-T5 PolarHBondContact O-N 3.22Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.17Å; F2-T5 CarbonylContact O-C 3.57Å; F2-T5 WeakPolarHBondContact O-CA 3.49Å; F2-T5 WeakPolarHBondContact O-CB 3.45Å; F2-T5 PolarHBondContact O-N 3.18Å; F3-T5 PolarHBondContact O-N 3.12Å; T5-E7 VanDerWaalsContact C-N 3.29Å; T5-E7 PolarHBondContact O-N 3.35Å; T5-G8 PolarHBondContact O-N 2.97Å; T5-G8 VanDerWaalsContact O-N 3.12Å; T5-A30 HydrophobicContact CG2-CB 4.18Å; T5-A30 WeakPolarHBondContact CG2-O 3.43Å; T5-V33 HydrophobicContact CG2-CB 4.25Å; T5-V33 HydrophobicContact CG2-CG1 4.26Å; T5-A34 HydrophobicContact CG2-CB 3.77Å; T5-Y39 WeakPolarHBondContact O-CD2 3.35Å; T5-Y39 VanDerWaalsContact O-CE2 3.29Å; T5-Y39 WeakPolarHBondContact O-CE2 3.39Å; T5-L42 HydrophobicContact CG2-CD1 3.85Å; T5-L46 HydrophobicContact CG2-CD1 4.38Å
6E94.4Very high94.3Very high55 Ų5569.2 Ų69.226%0.25734%0.335SS..Hα-helixtrans-57.7-42177.6-176.3170.5-146.200112.2F2 F3 V33F2-E6 WeakPolarHBondContact CE1-OE2 3.47Å; F2-E6 PolarHBondContact O-N 2.99Å; F3-E6 PolarHBondContact O-N 3.44Å; E6-V33 HydrophobicContact CB-CG1 4.18Å
7E95.6Very high94.2Very high120 Ų12067.1 Ų67.156%0.56133%0.326SS*.THydrogen-bonded Turntrans-90.25.4178.3-60-57.6145.800113.8F3 T5 H9F3-E7 PolarHBondContact O-N 2.83Å; F3-E7 VanDerWaalsContact O-N 3.14Å; T5-E7 VanDerWaalsContact C-N 3.29Å; T5-E7 PolarHBondContact O-N 3.35Å; E7-H9 VanDerWaalsContact C-N 3.32Å; E7-H9 PolarHBondContact O-N 3.41Å; E7-H9 PolarHBondContact O-ND1 3.2Å; E7-H9 VanDerWaalsContact O-ND1 3.16Å
8G94.6Very high94.2Very high17 Ų1775 Ų7518%0.17535%0.352CS..THydrogen-bonded Turntrans70.620.5176.200000115.2A4 T5 E10A4-G8 PolarHBondContact O-N 2.89Å; T5-G8 PolarHBondContact O-N 2.97Å; T5-G8 VanDerWaalsContact O-N 3.12Å; G8-E10 PolarHBondContact O-N 3.3Å
9H96.6Very high94.2Very high107 Ų10774.7 Ų74.750%0.49536%0.359SS..  trans-76.681.9-176.8-63.1-9.3000112.2A4 E7 E11 A12 V13A4-H9 HydrophobicContact CB-CB 4.44Å; A4-H9 WeakPolarHBondContact O-CB 3.41Å; A4-H9 PolarHBondContact O-N 3.01Å; E7-H9 VanDerWaalsContact C-N 3.32Å; E7-H9 PolarHBondContact O-N 3.41Å; E7-H9 PolarHBondContact O-ND1 3.2Å; E7-H9 VanDerWaalsContact O-ND1 3.16Å; H9-E11 VanDerWaalsContact C-N 3.35Å; H9-E11 PolarHBondContact O-N 3.11Å; H9-A12 HydrophobicContact CB-CB 3.88Å; H9-A12 PolarHBondContact O-N 3.16Å; H9-V13 WeakPolarHBondContact O-CG2 3.16Å; H9-V13 PolarHBondContact O-N 2.98Å
10E95.8Very high93.9Very high64 Ų6474.2 Ų74.230%0.29937%0.374SS..Hα-helixtrans-52.8-45.8-177.3-60.9-179.2178.700113.6G8 V13 S14 R41 L42 M45G8-E10 PolarHBondContact O-N 3.3Å; E10-V13 PolarHBondContact O-N 3.29Å; E10-S14 WeakPolarHBondContact O-CB 3.38Å; E10-S14 PolarHBondContact O-N 3.18Å; E10-R41 VanDerWaalsContact CD-CD 3.46Å; E10-R41 HydrophobicContact CG-CB 4.48Å; E10-R41 VanDerWaalsContact OE1-CB 3.31Å; E10-R41 WeakPolarHBondContact OE1-CB 3.49Å; E10-R41 VanDerWaalsContact OE1-CD 3.24Å; E10-R41 WeakPolarHBondContact OE1-CD 3.37Å; E10-R41 WeakPolarHBondContact OE2-CD 3.45Å; E10-R41 IonicContact OE2-CZ 2.74Å; E10-R41 IonicContact OE2-NE 2.8Å; E10-R41 IonicContact OE2-NH1 3.9Å; E10-R41 PolarHBondContact OE2-NH1 2.94Å; E10-L42 HydrophobicContact CB-CD2 4.18Å; E10-L42 HydrophobicContact CG-CD2 3.89Å; E10-L42 HydrophobicContact CG-CG 4.19Å; E10-M45 HydrophobicContact CB-CE 4.46Å
11E96.1Very high93.6Very high173 Ų17373 Ų7381%0.80837%0.37SS*.Hα-helixtrans-66.6-41.4-179.5-65.9-173.9174.200112.3H9 S14 Y15H9-E11 VanDerWaalsContact C-N 3.35Å; H9-E11 PolarHBondContact O-N 3.11Å; E11-S14 WeakPolarHBondContact O-CB 3.22Å; E11-S14 PolarHBondContact O-N 3.16Å; E11-Y15 WeakPolarHBondContact O-CB 3.46Å; E11-Y15 PolarHBondContact O-N 2.96Å
12A96.1Very high93.5Very high40 Ų4074.4 Ų74.433%0.33138%0.379SS..Hα-helixtrans-64.6-42.817700000111.2A4 H9 Y15 L16A4-A12 HydrophobicContact CB-CB 3.97Å; H9-A12 HydrophobicContact CB-CB 3.88Å; H9-A12 PolarHBondContact O-N 3.16Å; A12-Y15 PolarHBondContact O-N 3.29Å; A12-L16 WeakPolarHBondContact O-CB 3.21Å; A12-L16 WeakPolarHBondContact O-CG 3.4Å; A12-L16 PolarHBondContact O-N 3.34Å
13V94.7Very high93.2Very high0 Ų070.7 Ų70.70%036%0.363CS..Hα-helixtrans-62-45.1174.4173.90000110.9M1 A4 H9 E10 Y15 L16 L17 L42 M45 L46M1-V13 HydrophobicContact CE-CG1 4.29Å; M1-V13 HydrophobicContact SD-CG1 3.89Å; M1-V13 HydrophobicContact SD-CG2 4.46Å; A4-V13 HydrophobicContact CB-CG2 3.84Å; H9-V13 WeakPolarHBondContact O-CG2 3.16Å; H9-V13 PolarHBondContact O-N 2.98Å; E10-V13 PolarHBondContact O-N 3.29Å; V13-Y15 PolarHBondContact O-N 2.87Å; V13-L16 PolarHBondContact O-N 3.4Å; V13-L17 HydrophobicContact CG1-CD1 4.12Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.2Å; V13-L42 HydrophobicContact CB-CD2 3.82Å; V13-L42 HydrophobicContact CG1-CD2 4.06Å; V13-L42 HydrophobicContact CG2-CD2 3.82Å; V13-M45 HydrophobicContact CB-CE 4.07Å; V13-M45 HydrophobicContact CG1-CE 3.87Å; V13-L46 HydrophobicContact CG1-CD2 4.32Å
14S94.4Very high92.8Very high27 Ų2772.5 Ų72.519%0.18937%0.365CS..Hα-helixtrans-59.4-44.9176.8-176.80000112.1E10 E11 L17 R18E10-S14 WeakPolarHBondContact O-CB 3.38Å; E10-S14 PolarHBondContact O-N 3.18Å; E11-S14 WeakPolarHBondContact O-CB 3.22Å; E11-S14 PolarHBondContact O-N 3.16Å; S14-L17 PolarHBondContact O-N 3.01Å; S14-R18 WeakPolarHBondContact O-CG 3.36Å; S14-R18 PolarHBondContact O-N 3.45Å
15Y95.5Very high92.2Very high161 Ų16180.3 Ų80.363%0.63140%0.397SS*.Hα-helixtrans-62.6-44.3176.4-178-93.1000112E11 A12 V13 L17 R18 S19E11-Y15 WeakPolarHBondContact O-CB 3.46Å; E11-Y15 PolarHBondContact O-N 2.96Å; A12-Y15 PolarHBondContact O-N 3.29Å; V13-Y15 PolarHBondContact O-N 2.87Å; Y15-L17 PolarHBondContact O-N 3.41Å; Y15-R18 PolarHBondContact O-N 3.05Å; Y15-S19 WeakPolarHBondContact CE1-OG 3.46Å; Y15-S19 WeakPolarHBondContact O-CB 3.49Å; Y15-S19 PolarHBondContact O-N 3.43Å; Y15-S19 PolarHBondContact O-OG 3.28Å
16L93.9Very high91.6Very high50 Ų5082.6 Ų82.626%0.26241%0.412SS..Hα-helixtrans-61.5-43.5178-72.9170.8000112A4 A12 V13 S19 V21A4-L16 HydrophobicContact CB-CD1 4.29Å; A12-L16 WeakPolarHBondContact O-CB 3.21Å; A12-L16 WeakPolarHBondContact O-CG 3.4Å; A12-L16 PolarHBondContact O-N 3.34Å; V13-L16 PolarHBondContact O-N 3.4Å; L16-S19 PolarHBondContact O-N 2.98Å; L16-V21 HydrophobicContact CB-CG2 4.22Å; L16-V21 HydrophobicContact CD2-CG2 4.4Å; L16-V21 WeakPolarHBondContact O-CB 3.33Å; L16-V21 WeakPolarHBondContact O-CG2 3.44Å; L16-V21 PolarHBondContact O-N 2.79Å
17L92.8Very high91.2Very high34 Ų3480 Ų8018%0.17840%0.4CS..Hα-helixtrans-60.6-45.2175.4-72.6172.4000111.7M1 V13 S14 Y15 S19 G20 A23 M45 A49M1-L17 HydrophobicContact CE-CD1 4.45Å; M1-L17 HydrophobicContact CE-CD2 3.35Å; M1-L17 HydrophobicContact CE-CG 3.76Å; V13-L17 HydrophobicContact CG1-CD1 4.12Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.2Å; S14-L17 PolarHBondContact O-N 3.01Å; Y15-L17 PolarHBondContact O-N 3.41Å; L17-S19 VanDerWaalsContact C-N 3.26Å; L17-S19 PolarHBondContact O-N 2.98Å; L17-G20 PolarHBondContact O-N 2.92Å; L17-A23 HydrophobicContact CD2-CB 3.83Å; L17-M45 HydrophobicContact CD1-CB 4.43Å; L17-A49 HydrophobicContact CD1-CB 3.96Å; L17-A49 HydrophobicContact CD2-CB 3.63Å; L17-A49 HydrophobicContact CG-CB 4.36Å
18R93.2Very high91Very high209 Ų20974.5 Ų74.579%0.78938%0.375SS*.Hα-helixtrans-66.5-27.6176.9-68.9173.3-171.7-1791.8113.1S14 Y15 G20S14-R18 WeakPolarHBondContact O-CG 3.36Å; S14-R18 PolarHBondContact O-N 3.45Å; Y15-R18 PolarHBondContact O-N 3.05Å; R18-G20 PolarHBondContact O-N 3.21Å
19S93.6Very high91Very high70 Ų7076.5 Ų76.549%0.4938%0.382SS..THydrogen-bonded Turntrans-77.23.7177.5-57.70000113.4Y15 L16 L17Y15-S19 WeakPolarHBondContact CE1-OG 3.46Å; Y15-S19 WeakPolarHBondContact O-CB 3.49Å; Y15-S19 PolarHBondContact O-N 3.43Å; Y15-S19 PolarHBondContact O-OG 3.28Å; L16-S19 PolarHBondContact O-N 2.98Å; L17-S19 VanDerWaalsContact C-N 3.26Å; L17-S19 PolarHBondContact O-N 2.98Å
20G88.7Confident91Very high63 Ų6371.5 Ų71.565%0.64936%0.359SS*.THydrogen-bonded Turntrans91.913.3175.100000114.9L17 R18 D22L17-G20 PolarHBondContact O-N 2.92Å; R18-G20 PolarHBondContact O-N 3.21Å; G20-D22 PolarHBondContact O-N 2.87Å
21V88.7Confident91.1Very high50 Ų5068.4 Ų68.430%0.30334%0.344SS..  trans-63.4117.9169.4174.10000109M1 L16 A23 C26M1-V21 HydrophobicContact CE-CG1 4.47Å; L16-V21 HydrophobicContact CB-CG2 4.22Å; L16-V21 HydrophobicContact CD2-CG2 4.4Å; L16-V21 WeakPolarHBondContact O-CB 3.33Å; L16-V21 WeakPolarHBondContact O-CG2 3.44Å; L16-V21 PolarHBondContact O-N 2.79Å; V21-A23 PolarHBondContact O-N 3.17Å; V21-A23 VanDerWaalsContact O-N 3.08Å; V21-C26 WeakPolarHBondContact CG1-SG 3.33Å
22D86.9Confident91.2Very high70 Ų7061 Ų6137%0.37431%0.31SS..  trans-72.8102-179.4-173.7-1.9000111.1G20 R24 K25 C26G20-D22 PolarHBondContact O-N 2.87Å; D22-R24 PolarHBondContact O-N 3.26Å; D22-R24 VanDerWaalsContact OD1-CB 3.24Å; D22-R24 WeakPolarHBondContact OD1-CB 3.48Å; D22-R24 PolarHBondContact OD1-N 3.48Å; D22-K25 HydrophobicContact CB-CB 4.43Å; D22-K25 HydrophobicContact CB-CD 4.45Å; D22-K25 HydrophobicContact CB-CG 4.47Å; D22-K25 PolarHBondContact O-N 3.39Å; D22-K25 VanDerWaalsContact O-N 3.13Å; D22-K25 WeakPolarHBondContact OD2-CG 3.33Å; D22-C26 PolarHBondContact O-N 3.44Å; D22-C26 PolarHBondContact O-SG 2.79Å
23A85Confident91.2Very high4 Ų459.7 Ų59.73%0.03330%0.297CS..Hα-helixtrans-60.8-24.2176.300000112.6L17 V21 K25 G27 A49L17-A23 HydrophobicContact CD2-CB 3.83Å; V21-A23 PolarHBondContact O-N 3.17Å; V21-A23 VanDerWaalsContact O-N 3.08Å; A23-K25 VanDerWaalsContact C-N 3.29Å; A23-K25 PolarHBondContact O-N 2.93Å; A23-G27 WeakPolarHBondContact O-CA 3.44Å; A23-G27 PolarHBondContact O-N 3.06Å; A23-A49 HydrophobicContact CB-CB 3.67Å
24R82.9Confident91.4Very high196 Ų19659.7 Ų59.774%0.7430%0.297SS*.Hα-helixtrans-69.2-29.5176.8-62.5174.4178.2-176.20.2112.3D22 G50D22-R24 PolarHBondContact O-N 3.26Å; D22-R24 VanDerWaalsContact OD1-CB 3.24Å; D22-R24 WeakPolarHBondContact OD1-CB 3.48Å; D22-R24 PolarHBondContact OD1-N 3.48Å; R24-G50 VanDerWaalsContact CG-O 3.3Å; R24-G50 WeakPolarHBondContact CG-O 3.37Å
25K82Confident91.6Very high176 Ų17658.4 Ų58.477%0.76529%0.288SS*.Hα-helixtrans-88.9-39.5-179.2-72.8-178.4-178-179.50113.7D22 A23D22-K25 HydrophobicContact CB-CB 4.43Å; D22-K25 HydrophobicContact CB-CD 4.45Å; D22-K25 HydrophobicContact CB-CG 4.47Å; D22-K25 PolarHBondContact O-N 3.39Å; D22-K25 VanDerWaalsContact O-N 3.13Å; D22-K25 WeakPolarHBondContact OD2-CG 3.33Å; A23-K25 VanDerWaalsContact C-N 3.29Å; A23-K25 PolarHBondContact O-N 2.93Å
26C82.2Confident91.7Very high49 Ų4954 Ų5433%0.33127%0.274SS..Hα-helixtrans-121-9.7-17268.20000114V21 D22 G28V21-C26 WeakPolarHBondContact CG1-SG 3.33Å; D22-C26 PolarHBondContact O-N 3.44Å; D22-C26 PolarHBondContact O-SG 2.79Å; C26-G28 VanDerWaalsContact C-N 3.3Å; C26-G28 PolarHBondContact O-N 3.04Å
27G85.7Confident91.9Very high0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-77.3-13.1-174.100000114A23 A30 L31 S51A23-G27 WeakPolarHBondContact O-CA 3.44Å; A23-G27 PolarHBondContact O-N 3.06Å; G27-A30 PolarHBondContact O-N 3.16Å; G27-L31 WeakPolarHBondContact O-CB 3.48Å; G27-L31 PolarHBondContact O-N 3.4Å; G27-S51 VanDerWaalsContact CA-OG 3.28Å; G27-S51 WeakPolarHBondContact CA-OG 3.2Å; G27-S51 PolarHBondContact O-OG 3.25Å
28G92Very high92.2Very high4 Ų457.5 Ų57.54%0.04129%0.289CS..Hα-helixtrans-62.1-49.5173.400000112.5C26 A30 L31 F32C26-G28 VanDerWaalsContact C-N 3.3Å; C26-G28 PolarHBondContact O-N 3.04Å; G28-A30 PolarHBondContact O-N 3.42Å; G28-L31 PolarHBondContact O-N 3.21Å; G28-F32 WeakPolarHBondContact O-CB 3.42Å; G28-F32 PolarHBondContact O-N 3.13Å
29I95Very high92.4Very high60 Ų6051 Ų5131%0.30827%0.265SS..Hα-helixtrans-64.1-43.1176-58.3170.8000110.5F2 L31 F32 V33 Y55 M57F2-I29 HydrophobicContact CD2-CG2 3.62Å; F2-I29 HydrophobicContact CE2-CG2 3.89Å; I29-L31 VanDerWaalsContact C-N 3.33Å; I29-L31 PolarHBondContact O-N 2.91Å; I29-F32 WeakPolarHBondContact O-CB 3.36Å; I29-F32 PolarHBondContact O-N 3.08Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 3.11Å; I29-Y55 HydrophobicContact CG1-CE1 3.79Å; I29-M57 HydrophobicContact CG1-SD 4.29Å
30A96.4Very high92.6Very high1 Ų153.3 Ų53.31%0.00826%0.263CS..Hα-helixtrans-62.1-41.8177.300000111.7M1 T5 G27 G28 F32 V33 A34 L46M1-A30 HydrophobicContact CG-CB 3.82Å; T5-A30 HydrophobicContact CG2-CB 4.18Å; T5-A30 WeakPolarHBondContact CG2-O 3.43Å; G27-A30 PolarHBondContact O-N 3.16Å; G28-A30 PolarHBondContact O-N 3.42Å; A30-F32 VanDerWaalsContact C-N 3.34Å; A30-V33 PolarHBondContact O-N 3.3Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 3.21Å; A30-L46 HydrophobicContact CB-CD1 3.88Å; A30-L46 HydrophobicContact CB-CD2 3.94Å
31L97.8Very high93.1Very high0 Ų057.3 Ų57.30%026%0.258CS..Hα-helixtrans-66-40.1178.4-176.765000110.7G27 G28 I29 A35 V43 L46 L47 S63 L79G27-L31 WeakPolarHBondContact O-CB 3.48Å; G27-L31 PolarHBondContact O-N 3.4Å; G28-L31 PolarHBondContact O-N 3.21Å; I29-L31 VanDerWaalsContact C-N 3.33Å; I29-L31 PolarHBondContact O-N 2.91Å; L31-A35 WeakPolarHBondContact O-CB 3.28Å; L31-A35 PolarHBondContact O-N 3.23Å; L31-V43 HydrophobicContact CD1-CB 4.27Å; L31-V43 HydrophobicContact CD1-CG1 3.92Å; L31-V43 HydrophobicContact CD1-CG2 4.36Å; L31-L46 HydrophobicContact CB-CD1 4.38Å; L31-L46 HydrophobicContact CD1-CB 4.03Å; L31-L47 HydrophobicContact CD1-CD2 4.19Å; L31-L47 HydrophobicContact CD1-CG 3.92Å; L31-L47 HydrophobicContact CD2-CD2 3.68Å; L31-L47 HydrophobicContact CD2-CG 4.33Å; L31-S63 WeakPolarHBondContact CG-OG 3.44Å; L31-L79 HydrophobicContact CD1-CD2 4.26Å; L31-L79 HydrophobicContact CD2-CD2 4.14Å; L31-L79 HydrophobicContact CG-CD2 4.33Å
32F97.8Very high93.5Very high18 Ų1854.9 Ų54.98%0.07924%0.244CC..Hα-helixtrans-57.8-50.9172.9-179.2-85.1000111.7G28 I29 A30 A35 Q36 M57 A61 S63 V66G28-F32 WeakPolarHBondContact O-CB 3.42Å; G28-F32 PolarHBondContact O-N 3.13Å; I29-F32 WeakPolarHBondContact O-CB 3.36Å; I29-F32 PolarHBondContact O-N 3.08Å; A30-F32 VanDerWaalsContact C-N 3.34Å; F32-A35 PolarHBondContact O-N 3.05Å; F32-Q36 WeakPolarHBondContact O-CB 3.47Å; F32-Q36 PolarHBondContact O-N 3.02Å; F32-M57 HydrophobicContact CB-SD 4.47Å; F32-M57 HydrophobicContact CD1-CG 4.07Å; F32-M57 HydrophobicContact CD1-SD 4.31Å; F32-M57 HydrophobicContact CD2-CG 3.51Å; F32-M57 HydrophobicContact CD2-SD 4.44Å; F32-M57 HydrophobicContact CE1-CG 4.08Å; F32-M57 HydrophobicContact CE2-CB 4.42Å; F32-M57 HydrophobicContact CE2-CG 3.51Å; F32-M57 HydrophobicContact CG-CG 3.79Å; F32-M57 HydrophobicContact CG-SD 4.17Å; F32-M57 HydrophobicContact CZ-CG 3.79Å; F32-A61 HydrophobicContact CE2-CB 3.73Å; F32-A61 HydrophobicContact CZ-CB 4.21Å; F32-S63 WeakPolarHBondContact CA-OG 3.35Å; F32-S63 PolarHBondContact N-OG 3.36Å; F32-V66 HydrophobicContact CD2-CG1 4.43Å; F32-V66 HydrophobicContact CD2-CG2 3.89Å; F32-V66 HydrophobicContact CE1-CG1 4.2Å; F32-V66 HydrophobicContact CE2-CB 4.29Å; F32-V66 HydrophobicContact CE2-CG1 3.49Å; F32-V66 VanDerWaalsContact CE2-CG1 3.49Å; F32-V66 HydrophobicContact CE2-CG2 3.78Å; F32-V66 HydrophobicContact CG-CG2 4.34Å; F32-V66 HydrophobicContact CZ-CB 4.36Å; F32-V66 HydrophobicContact CZ-CG1 3.36Å; F32-V66 HydrophobicContact CZ-CG2 4.15Å
33V97.2Very high94Very high11 Ų1151.6 Ų51.67%0.06723%0.226CC..Hα-helixtrans-64.7-44.9-179.9173.30000111.4F2 T5 E6 I29 A30 A35 Q36 R37F2-V33 HydrophobicContact CD2-CG2 4.24Å; F2-V33 HydrophobicContact CE2-CG2 3.68Å; F2-V33 HydrophobicContact CZ-CG2 4.5Å; T5-V33 HydrophobicContact CG2-CB 4.25Å; T5-V33 HydrophobicContact CG2-CG1 4.26Å; E6-V33 HydrophobicContact CB-CG1 4.18Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 3.11Å; A30-V33 PolarHBondContact O-N 3.3Å; V33-A35 VanDerWaalsContact C-N 3.31Å; V33-A35 PolarHBondContact O-N 3.37Å; V33-Q36 PolarHBondContact O-N 2.93Å; V33-R37 HydrophobicContact CG1-CG 4.21Å; V33-R37 WeakPolarHBondContact O-CB 3.33Å; V33-R37 VanDerWaalsContact O-CG 3.3Å; V33-R37 WeakPolarHBondContact O-CG 3.34Å; V33-R37 PolarHBondContact O-N 3.18Å
34A98.1Very high94.6Very high0 Ų057.7 Ų57.70%025%0.252CS..Hα-helixtrans-60-41.9176.600000112T5 A30 G38 Y39 L42 V43 L46T5-A34 HydrophobicContact CG2-CB 3.77Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 3.21Å; A34-G38 PolarHBondContact O-N 3.42Å; A34-G38 VanDerWaalsContact O-N 3.11Å; A34-Y39 PolarHBondContact O-N 3.41Å; A34-L42 HydrophobicContact CB-CB 3.74Å; A34-L42 HydrophobicContact CB-CD1 4.5Å; A34-V43 HydrophobicContact CB-CG2 3.79Å; A34-L46 HydrophobicContact CB-CD1 4.08Å
35A98.6Very high95.2Very high0 Ų050.8 Ų50.80%023%0.228CC..Hα-helixtrans-66.4-43.3176.800000111.9L31 F32 V33 G38 V43 V66 A67 H72 I75 L79L31-A35 WeakPolarHBondContact O-CB 3.28Å; L31-A35 PolarHBondContact O-N 3.23Å; F32-A35 PolarHBondContact O-N 3.05Å; V33-A35 VanDerWaalsContact C-N 3.31Å; V33-A35 PolarHBondContact O-N 3.37Å; A35-G38 PolarHBondContact O-N 3.34Å; A35-V43 HydrophobicContact CB-CG2 4.3Å; A35-V66 HydrophobicContact CB-CG2 4.25Å; A35-A67 HydrophobicContact CB-CB 4.31Å; A35-H72 PolarHBondContact O-CD2 3.36Å; A35-I75 HydrophobicContact CB-CG2 4Å; A35-L79 HydrophobicContact CB-CD1 4.23Å
36Q98.1Very high95.9Very high70 Ų7042.4 Ų42.433%0.32719%0.192SC..Hα-helixtrans-61.1-46176.7-175.3-176.365.800111.7F32 V33 G38 V66 N70 H72F32-Q36 WeakPolarHBondContact O-CB 3.47Å; F32-Q36 PolarHBondContact O-N 3.02Å; V33-Q36 PolarHBondContact O-N 2.93Å; Q36-G38 VanDerWaalsContact C-N 3.33Å; Q36-G38 PolarHBondContact O-N 3.3Å; Q36-V66 HydrophobicContact CB-CB 4.14Å; Q36-V66 HydrophobicContact CB-CG2 4.08Å; Q36-V66 HydrophobicContact CG-CB 4.44Å; Q36-N70 PolarHBondContact O-ND2 3.32Å; Q36-H72 PolarHBondContact O-NE2 3.24Å
37R97.9Very high96.6Very high130 Ų13041.1 Ų41.149%0.49118%0.182SC..Hα-helixtrans-77.7-12.2-177.1-65.2-68.8-171.5-175.52.3114.3V33 Y39V33-R37 HydrophobicContact CG1-CG 4.21Å; V33-R37 WeakPolarHBondContact O-CB 3.33Å; V33-R37 VanDerWaalsContact O-CG 3.3Å; V33-R37 WeakPolarHBondContact O-CG 3.34Å; V33-R37 PolarHBondContact O-N 3.18Å; R37-Y39 HydrophobicContact CB-CD1 4.41Å; R37-Y39 HydrophobicContact CB-CD2 3.56Å; R37-Y39 HydrophobicContact CB-CE1 4.28Å; R37-Y39 HydrophobicContact CB-CE2 3.41Å; R37-Y39 VanDerWaalsContact CB-CE2 3.41Å; R37-Y39 HydrophobicContact CB-CG 4.08Å; R37-Y39 HydrophobicContact CG-CD2 4.27Å; R37-Y39 HydrophobicContact CG-CE2 3.79Å
38G98.2Very high97.1Very high26 Ų2645.4 Ų45.427%0.26822%0.217SC..THydrogen-bonded Turntrans84.716.2-178.100000114.3A34 A35 Q36 R40 H72 I75A34-G38 PolarHBondContact O-N 3.42Å; A34-G38 VanDerWaalsContact O-N 3.11Å; A35-G38 PolarHBondContact O-N 3.34Å; Q36-G38 VanDerWaalsContact C-N 3.33Å; Q36-G38 PolarHBondContact O-N 3.3Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 2.96Å; G38-H72 WeakPolarHBondContact CA-NE2 3.29Å; G38-H72 PolarHBondContact N-NE2 2.88Å; G38-I75 VanDerWaalsContact C-CD1 3.42Å; G38-I75 VanDerWaalsContact CA-CD1 3.47Å
39Y98.2Very high97.2Very high73 Ų7347.2 Ų47.229%0.28623%0.232SC..  trans-7975.9-178.3-60.3-37.1000112T5 A34 R37 R41 L42 V43T5-Y39 WeakPolarHBondContact O-CD2 3.35Å; T5-Y39 VanDerWaalsContact O-CE2 3.29Å; T5-Y39 WeakPolarHBondContact O-CE2 3.39Å; A34-Y39 PolarHBondContact O-N 3.41Å; R37-Y39 HydrophobicContact CB-CD1 4.41Å; R37-Y39 HydrophobicContact CB-CD2 3.56Å; R37-Y39 HydrophobicContact CB-CE1 4.28Å; R37-Y39 HydrophobicContact CB-CE2 3.41Å; R37-Y39 VanDerWaalsContact CB-CE2 3.41Å; R37-Y39 HydrophobicContact CB-CG 4.08Å; R37-Y39 HydrophobicContact CG-CD2 4.27Å; R37-Y39 HydrophobicContact CG-CE2 3.79Å; Y39-R41 VanDerWaalsContact C-N 3.28Å; Y39-R41 PolarHBondContact O-N 3.36Å; Y39-R41 VanDerWaalsContact O-N 3.17Å; Y39-L42 HydrophobicContact CD2-CD1 3.77Å; Y39-L42 HydrophobicContact CG-CD1 4.1Å; Y39-L42 WeakPolarHBondContact O-CB 3.48Å; Y39-L42 PolarHBondContact O-N 3.42Å; Y39-V43 PolarHBondContact O-N 3.1Å
40R98.1Very high97.2Very high118 Ų11845.8 Ų45.845%0.44523%0.232SC..Hα-helixtrans-52.3-40-175.5-174.4-177.564.985.8-2.4114.1G38 K44 S74 I75 M78G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 2.96Å; R40-K44 PolarHBondContact O-N 3.29Å; R40-S74 WeakPolarHBondContact CD-OG 3.48Å; R40-I75 HydrophobicContact CB-CD1 4.44Å; R40-I75 HydrophobicContact CB-CG1 4.17Å; R40-I75 HydrophobicContact CG-CG1 4.41Å; R40-M78 HydrophobicContact CG-CE 4Å
41R97.6Very high97.1Very high147 Ų14746 Ų4656%0.55523%0.233SC*.Hα-helixtrans-71.2-39.9178.9-73.5179.1177.4168.72.3111.8E10 Y39 K44 M45E10-R41 VanDerWaalsContact CD-CD 3.46Å; E10-R41 HydrophobicContact CG-CB 4.48Å; E10-R41 VanDerWaalsContact OE1-CB 3.31Å; E10-R41 WeakPolarHBondContact OE1-CB 3.49Å; E10-R41 VanDerWaalsContact OE1-CD 3.24Å; E10-R41 WeakPolarHBondContact OE1-CD 3.37Å; E10-R41 WeakPolarHBondContact OE2-CD 3.45Å; E10-R41 IonicContact OE2-CZ 2.74Å; E10-R41 IonicContact OE2-NE 2.8Å; E10-R41 IonicContact OE2-NH1 3.9Å; E10-R41 PolarHBondContact OE2-NH1 2.94Å; Y39-R41 VanDerWaalsContact C-N 3.28Å; Y39-R41 PolarHBondContact O-N 3.36Å; Y39-R41 VanDerWaalsContact O-N 3.17Å; R41-K44 PolarHBondContact O-N 3.03Å; R41-M45 WeakPolarHBondContact O-CG 3.33Å; R41-M45 PolarHBondContact O-N 2.86Å
42L97.3Very high97.1Very high0 Ų049.5 Ų49.50%025%0.252CS..Hα-helixtrans-61.1-46172.9-69.4-170.2000111.6T5 E10 V13 A34 Y39 K44 M45 L46T5-L42 HydrophobicContact CG2-CD1 3.85Å; E10-L42 HydrophobicContact CB-CD2 4.18Å; E10-L42 HydrophobicContact CG-CD2 3.89Å; E10-L42 HydrophobicContact CG-CG 4.19Å; V13-L42 HydrophobicContact CB-CD2 3.82Å; V13-L42 HydrophobicContact CG1-CD2 4.06Å; V13-L42 HydrophobicContact CG2-CD2 3.82Å; A34-L42 HydrophobicContact CB-CB 3.74Å; A34-L42 HydrophobicContact CB-CD1 4.5Å; Y39-L42 HydrophobicContact CD2-CD1 3.77Å; Y39-L42 HydrophobicContact CG-CD1 4.1Å; Y39-L42 WeakPolarHBondContact O-CB 3.48Å; Y39-L42 PolarHBondContact O-N 3.42Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.45Å; L42-M45 HydrophobicContact CD2-CE 3.4Å; L42-M45 VanDerWaalsContact CD2-CE 3.4Å; L42-M45 PolarHBondContact O-N 3.15Å; L42-L46 WeakPolarHBondContact O-CB 3.35Å; L42-L46 WeakPolarHBondContact O-CD1 3.49Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.35Å
43V98.2Very high97Very high0 Ų049.4 Ų49.40%025%0.253CS..Hα-helixtrans-54-49174172.20000110.5L31 A34 A35 Y39 M45 L46 L47 I75 M78 L79L31-V43 HydrophobicContact CD1-CB 4.27Å; L31-V43 HydrophobicContact CD1-CG1 3.92Å; L31-V43 HydrophobicContact CD1-CG2 4.36Å; A34-V43 HydrophobicContact CB-CG2 3.79Å; A35-V43 HydrophobicContact CB-CG2 4.3Å; Y39-V43 PolarHBondContact O-N 3.1Å; V43-M45 PolarHBondContact O-N 2.91Å; V43-L46 PolarHBondContact O-N 3.16Å; V43-L47 HydrophobicContact CG1-CD1 3.7Å; V43-L47 HydrophobicContact CG1-CG 4.42Å; V43-L47 WeakPolarHBondContact O-CB 3.3Å; V43-L47 VanDerWaalsContact O-CG 3.31Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 2.93Å; V43-I75 HydrophobicContact CG1-CG2 4.2Å; V43-I75 HydrophobicContact CG2-CD1 4.11Å; V43-I75 HydrophobicContact CG2-CG1 4.31Å; V43-I75 HydrophobicContact CG2-CG2 3.98Å; V43-M78 HydrophobicContact CB-SD 4.45Å; V43-M78 HydrophobicContact CG1-SD 3.83Å; V43-L79 HydrophobicContact CG1-CD2 4.31Å; V43-L79 HydrophobicContact CG1-CG 4.39Å
44K97.5Very high97Very high133 Ų13351 Ų5158%0.57826%0.261SS*.Hα-helixtrans-59.2-46.5178.4-171.3178.5179.3-179.20112.5R40 R41 L42 A48 M78R40-K44 PolarHBondContact O-N 3.29Å; R41-K44 PolarHBondContact O-N 3.03Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.45Å; K44-A48 VanDerWaalsContact O-CB 3.29Å; K44-A48 WeakPolarHBondContact O-CB 3.47Å; K44-A48 PolarHBondContact O-N 3.08Å; K44-M78 HydrophobicContact CB-CE 4.09Å; K44-M78 HydrophobicContact CB-SD 3.73Å; K44-M78 HydrophobicContact CG-CE 4.47Å; K44-M78 HydrophobicContact CG-SD 4.25Å
45M95.7Very high97Very high50 Ų5055 Ų5525%0.24628%0.277CS..Hα-helixtrans-65.9-42.6-179.7-70.4-169.8-42.800112.1E10 V13 L17 R41 L42 V43 A48 A49E10-M45 HydrophobicContact CB-CE 4.46Å; V13-M45 HydrophobicContact CB-CE 4.07Å; V13-M45 HydrophobicContact CG1-CE 3.87Å; L17-M45 HydrophobicContact CD1-CB 4.43Å; R41-M45 WeakPolarHBondContact O-CG 3.33Å; R41-M45 PolarHBondContact O-N 2.86Å; L42-M45 HydrophobicContact CD2-CE 3.4Å; L42-M45 VanDerWaalsContact CD2-CE 3.4Å; L42-M45 PolarHBondContact O-N 3.15Å; V43-M45 PolarHBondContact O-N 2.91Å; M45-A48 PolarHBondContact O-N 3.5Å; M45-A49 WeakPolarHBondContact O-CB 3.5Å; M45-A49 PolarHBondContact O-N 2.96Å
46L96.6Very high96.9Very high0 Ų056.9 Ų56.90%029%0.29CS..Hα-helixtrans-66-44.2-179-71.7166.8000111.4M1 T5 V13 A30 L31 A34 L42 V43 A49 G50 S51M1-L46 HydrophobicContact CE-CD2 3.5Å; M1-L46 VanDerWaalsContact CE-CD2 3.5Å; M1-L46 HydrophobicContact SD-CD2 4.29Å; T5-L46 HydrophobicContact CG2-CD1 4.38Å; V13-L46 HydrophobicContact CG1-CD2 4.32Å; A30-L46 HydrophobicContact CB-CD1 3.88Å; A30-L46 HydrophobicContact CB-CD2 3.94Å; L31-L46 HydrophobicContact CB-CD1 4.38Å; L31-L46 HydrophobicContact CD1-CB 4.03Å; A34-L46 HydrophobicContact CB-CD1 4.08Å; L42-L46 WeakPolarHBondContact O-CB 3.35Å; L42-L46 WeakPolarHBondContact O-CD1 3.49Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.35Å; V43-L46 PolarHBondContact O-N 3.16Å; L46-A49 PolarHBondContact O-N 3.41Å; L46-G50 PolarHBondContact O-N 2.85Å; L46-S51 VanDerWaalsContact O-CB 3.3Å; L46-S51 WeakPolarHBondContact O-CB 3.38Å; L46-S51 PolarHBondContact O-N 2.8Å; L46-S51 PolarHBondContact O-OG 3.13Å
47L96.7Very high96.8Very high22 Ų2255.7 Ų55.712%0.11529%0.285CS..Hα-helixtrans-62.1-43.7173.6-70168.8000111.7L31 V43 A49 G50 P53 M78 L79 C82L31-L47 HydrophobicContact CD1-CD2 4.19Å; L31-L47 HydrophobicContact CD1-CG 3.92Å; L31-L47 HydrophobicContact CD2-CD2 3.68Å; L31-L47 HydrophobicContact CD2-CG 4.33Å; V43-L47 HydrophobicContact CG1-CD1 3.7Å; V43-L47 HydrophobicContact CG1-CG 4.42Å; V43-L47 WeakPolarHBondContact O-CB 3.3Å; V43-L47 VanDerWaalsContact O-CG 3.31Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 2.93Å; L47-A49 PolarHBondContact O-N 3.35Å; L47-G50 PolarHBondContact O-N 3.22Å; L47-P53 HydrophobicContact CD2-CB 4.03Å; L47-M78 HydrophobicContact CD1-CG 3.94Å; L47-M78 HydrophobicContact CD1-SD 4.2Å; L47-L79 HydrophobicContact CD1-CD2 4.13Å; L47-L79 HydrophobicContact CD2-CD2 4.27Å; L47-C82 HydrophobicContact CD1-CB 3.94Å; L47-C82 HydrophobicContact CD2-CB 4.05Å; L47-C82 HydrophobicContact CG-CB 4.44Å
48A95.2Very high96.8Very high90 Ų9055.1 Ų55.174%0.74430%0.298SS*.Hα-helixtrans-64.1-29.1176.800000113K44 M45 G50K44-A48 VanDerWaalsContact O-CB 3.29Å; K44-A48 WeakPolarHBondContact O-CB 3.47Å; K44-A48 PolarHBondContact O-N 3.08Å; M45-A48 PolarHBondContact O-N 3.5Å; A48-G50 PolarHBondContact O-N 3.24Å
49A94.8Very high96.7Very high43 Ų4356.9 Ų56.936%0.35530%0.301SS..THydrogen-bonded Turntrans-79.3-4.1173.300000113.6L17 A23 M45 L46 L47L17-A49 HydrophobicContact CD1-CB 3.96Å; L17-A49 HydrophobicContact CD2-CB 3.63Å; L17-A49 HydrophobicContact CG-CB 4.36Å; A23-A49 HydrophobicContact CB-CB 3.67Å; M45-A49 WeakPolarHBondContact O-CB 3.5Å; M45-A49 PolarHBondContact O-N 2.96Å; L46-A49 PolarHBondContact O-N 3.41Å; L47-A49 PolarHBondContact O-N 3.35Å
50G94.5Very high96.7Very high30 Ų3053.5 Ų53.531%0.30929%0.289SS..THydrogen-bonded Turntrans89.721.7177.200000114.9R24 L46 L47 A48 D52R24-G50 VanDerWaalsContact CG-O 3.3Å; R24-G50 WeakPolarHBondContact CG-O 3.37Å; L46-G50 PolarHBondContact O-N 2.85Å; L47-G50 PolarHBondContact O-N 3.22Å; A48-G50 PolarHBondContact O-N 3.24Å; G50-D52 PolarHBondContact O-N 3.2Å
51S95.9Very high96.7Very high4 Ų447.9 Ų47.93%0.02827%0.268CS..  trans-55.8134.6165.8-68.50000110.4G27 L46 P53G27-S51 VanDerWaalsContact CA-OG 3.28Å; G27-S51 WeakPolarHBondContact CA-OG 3.2Å; G27-S51 PolarHBondContact O-OG 3.25Å; L46-S51 VanDerWaalsContact O-CB 3.3Å; L46-S51 WeakPolarHBondContact O-CB 3.38Å; L46-S51 PolarHBondContact O-N 2.8Å; L46-S51 PolarHBondContact O-OG 3.13Å; S51-P53 WeakPolarHBondContact O-CD 3.49Å
52D96.2Very high96.7Very high75 Ų7541 Ų4140%0.40124%0.242SC..  trans-67.5116.6175.9177.710.2000110.7G50 N54 Y55G50-D52 PolarHBondContact O-N 3.2Å; D52-N54 PolarHBondContact O-N 2.92Å; D52-N54 WeakPolarHBondContact OD1-CB 3.36Å; D52-N54 PolarHBondContact OD1-N 3.09Å; D52-Y55 PolarHBondContact O-N 3.11Å
53P96.9Very high96.7Very high16 Ų1641 Ų4110%0.10424%0.242CC..THydrogen-bonded Turntrans-66.1-17.1177.530.1-37.7000113.7L47 S51 A84L47-P53 HydrophobicContact CD2-CB 4.03Å; S51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-A84 HydrophobicContact CB-CB 4.07Å
54N97.6Very high96.8Very high43 Ų4341 Ų4123%0.2324%0.242CC..THydrogen-bonded Turntrans-103.28.5-176.7-65.9-54.1000113.7D52 S56 G83 A84 D85 K88D52-N54 PolarHBondContact O-N 2.92Å; D52-N54 WeakPolarHBondContact OD1-CB 3.36Å; D52-N54 PolarHBondContact OD1-N 3.09Å; N54-S56 PolarHBondContact O-N 3.05Å; N54-G83 PolarHBondContact ND2-O 2.83Å; N54-A84 WeakPolarHBondContact OD1-CA 3.39Å; N54-D85 WeakPolarHBondContact OD1-CB 3.22Å; N54-D85 PolarHBondContact OD1-N 2.86Å; N54-K88 HydrophobicContact CB-CD 4.35Å; N54-K88 WeakPolarHBondContact O-CE 3.38Å
55Y97Very high96.8Very high84 Ų8434.8 Ų34.833%0.32922%0.215SC..PPolyproline II helixtrans-58.4125.4174.3-179.8-88.2000110.8I29 D52 M57 H62I29-Y55 HydrophobicContact CG1-CE1 3.79Å; D52-Y55 PolarHBondContact O-N 3.11Å; Y55-M57 HydrophobicContact CE1-SD 3.95Å; Y55-H62 WeakPolarHBondContact O-CA 3.39Å; Y55-H62 VanDerWaalsContact O-CB 3.26Å; Y55-H62 WeakPolarHBondContact O-CB 3.43Å
56S96.5Very high97Very high40 Ų4032.6 Ų32.628%0.2820%0.204SC..BIsolated β-bridgetrans-99.5135.2176.6-78.10000111.7N54 G60 A61 K88N54-S56 PolarHBondContact O-N 3.05Å; S56-G60 PolarHBondContact OG-O 3.35Å; S56-A61 CarbonylContact C-O 3.57Å; S56-A61 WeakPolarHBondContact CA-O 3.48Å; S56-K88 WeakPolarHBondContact OG-CE 3.32Å; S56-K88 PolarHBondContact OG-NZ 3.36Å
57M96.8Very high97.1Very high45 Ų4532.6 Ų32.622%0.22220%0.204CC..PPolyproline II helixtrans-67.4164.7161.2-63.6-59.3-71.800110.4I29 F32 Y55 D59 G60 A61I29-M57 HydrophobicContact CG1-SD 4.29Å; F32-M57 HydrophobicContact CB-SD 4.47Å; F32-M57 HydrophobicContact CD1-CG 4.07Å; F32-M57 HydrophobicContact CD1-SD 4.31Å; F32-M57 HydrophobicContact CD2-CG 3.51Å; F32-M57 HydrophobicContact CD2-SD 4.44Å; F32-M57 HydrophobicContact CE1-CG 4.08Å; F32-M57 HydrophobicContact CE2-CB 4.42Å; F32-M57 HydrophobicContact CE2-CG 3.51Å; F32-M57 HydrophobicContact CG-CG 3.79Å; F32-M57 HydrophobicContact CG-SD 4.17Å; F32-M57 HydrophobicContact CZ-CG 3.79Å; Y55-M57 HydrophobicContact CE1-SD 3.95Å; M57-D59 PolarHBondContact O-N 2.81Å; M57-D59 VanDerWaalsContact O-N 3.07Å; M57-G60 WeakPolarHBondContact O-CA 3.19Å; M57-G60 PolarHBondContact O-N 3.12Å; M57-A61 WeakPolarHBondContact CB-O 3.36Å; M57-A61 PolarHBondContact N-O 2.86Å
58P97Very high97.2Very high118 Ų11831.5 Ų31.577%0.76620%0.199SC*.THydrogen-bonded Turntrans-56-27.7-175.9-29.236.8000115.6G60 N91P58-G60 PolarHBondContact O-N 2.87Å; P58-N91 PolarHBondContact O-ND2 3.31Å
59D96.6Very high97.4Very high63 Ų6330.1 Ų30.134%0.33718%0.177SC..THydrogen-bonded Turntrans-85.77.2176.770.2-12.7000113.8M57 A61 R90 N91M57-D59 PolarHBondContact O-N 2.81Å; M57-D59 VanDerWaalsContact O-N 3.07Å; D59-A61 VanDerWaalsContact C-N 3.31Å; D59-A61 VanDerWaalsContact OD1-CB 3.23Å; D59-A61 WeakPolarHBondContact OD1-CB 3.48Å; D59-A61 PolarHBondContact OD1-N 3.12Å; D59-R90 VanDerWaalsContact CG-NH2 3.35Å; D59-R90 IonicContact OD1-NH1 3.92Å; D59-R90 IonicContact OD2-CZ 3.53Å; D59-R90 IonicContact OD2-NH1 3.66Å; D59-R90 PolarHBondContact OD2-NH1 3.12Å; D59-R90 IonicContact OD2-NH2 3.96Å; D59-R90 PolarHBondContact OD2-NH2 2.99Å; D59-N91 VanDerWaalsContact C-CG 3.41Å; D59-N91 VanDerWaalsContact C-ND2 3.26Å; D59-N91 PolarHBondContact O-N 3.48Å
60G97.4Very high97.5Very high2 Ų231.5 Ų31.52%0.02118%0.178CC..SBendtrans85.5-8.4-177.800000113.9S56 M57 P58 H62 N91S56-G60 PolarHBondContact OG-O 3.35Å; M57-G60 WeakPolarHBondContact O-CA 3.19Å; M57-G60 PolarHBondContact O-N 3.12Å; P58-G60 PolarHBondContact O-N 2.87Å; G60-H62 PolarHBondContact O-CD2 2.97Å; G60-N91 WeakPolarHBondContact CA-OD1 3.49Å; G60-N91 PolarHBondContact N-OD1 3.19Å
61A97.8Very high97.7Very high1 Ų131.3 Ų31.31%0.00818%0.176CC..  trans-68141.4-177.500000112.3F32 S56 M57 D59 F65 R90F32-A61 HydrophobicContact CE2-CB 3.73Å; F32-A61 HydrophobicContact CZ-CB 4.21Å; S56-A61 CarbonylContact C-O 3.57Å; S56-A61 WeakPolarHBondContact CA-O 3.48Å; M57-A61 WeakPolarHBondContact CB-O 3.36Å; M57-A61 PolarHBondContact N-O 2.86Å; D59-A61 VanDerWaalsContact C-N 3.31Å; D59-A61 VanDerWaalsContact OD1-CB 3.23Å; D59-A61 WeakPolarHBondContact OD1-CB 3.48Å; D59-A61 PolarHBondContact OD1-N 3.12Å; A61-F65 HydrophobicContact CB-CD1 4.29Å; A61-R90 HydrophobicContact CB-CG 4.14Å
62H98.2Very high97.9Very high1 Ų133.6 Ų33.61%0.00519%0.186CC..BIsolated β-bridgetrans-130.8168.9-179.733.584000110.2Y55 G60 L64 F65 V66 K88Y55-H62 WeakPolarHBondContact O-CA 3.39Å; Y55-H62 VanDerWaalsContact O-CB 3.26Å; Y55-H62 WeakPolarHBondContact O-CB 3.43Å; G60-H62 PolarHBondContact O-CD2 2.97Å; H62-L64 VanDerWaalsContact C-N 3.28Å; H62-L64 PolarHBondContact O-N 3.34Å; H62-F65 VanDerWaalsContact O-CB 3.32Å; H62-F65 WeakPolarHBondContact O-CB 3.47Å; H62-F65 PolarHBondContact O-N 3.2Å; H62-V66 PolarHBondContact O-N 3.26Å; H62-K88 VanDerWaalsContact CD2-CD 3.46Å; H62-K88 WeakPolarHBondContact CD2-CD 3.38Å; H62-K88 WeakPolarHBondContact CD2-CE 3.46Å; H62-K88 PolarHBondContact CE1-O 3.22Å; H62-K88 WeakPolarHBondContact NE2-CG 3.18Å; H62-K88 PolarHBondContact NE2-O 3.27Å; H62-K88 VanDerWaalsContact NE2-O 3.12Å
63S98.6Very high98Very high0 Ų032.5 Ų32.50%018%0.18CC..Hα-helixtrans-54.9-40.5-171.8-58.50000113.5L31 F32 F65 V66 A67L31-S63 WeakPolarHBondContact CG-OG 3.44Å; F32-S63 WeakPolarHBondContact CA-OG 3.35Å; F32-S63 PolarHBondContact N-OG 3.36Å; S63-F65 VanDerWaalsContact C-N 3.35Å; S63-F65 PolarHBondContact O-N 2.96Å; S63-V66 WeakPolarHBondContact O-CG2 3.44Å; S63-A67 VanDerWaalsContact O-CB 3.32Å; S63-A67 WeakPolarHBondContact O-CB 3.27Å; S63-A67 PolarHBondContact O-N 2.92Å
64L98.9Very high98.1Very high1 Ų134.8 Ų34.81%0.00520%0.196CC..Hα-helixtrans-64.1-40.9176.8-179.561.2000111.6H62 A67 V68 L79 M80 A84 P96H62-L64 VanDerWaalsContact C-N 3.28Å; H62-L64 PolarHBondContact O-N 3.34Å; L64-A67 PolarHBondContact O-N 3.31Å; L64-V68 HydrophobicContact CD1-CG2 3.86Å; L64-V68 HydrophobicContact CG-CG2 4.28Å; L64-V68 WeakPolarHBondContact O-CB 3.26Å; L64-V68 WeakPolarHBondContact O-CG2 2.89Å; L64-V68 PolarHBondContact O-N 3.02Å; L64-L79 HydrophobicContact CB-CD1 4.43Å; L64-L79 HydrophobicContact CD1-CB 4.31Å; L64-M80 HydrophobicContact CD1-CG 3.91Å; L64-M80 HydrophobicContact CD2-CG 3.96Å; L64-A84 HydrophobicContact CB-CB 4.12Å; L64-A84 HydrophobicContact CD2-CB 4.13Å; L64-P96 HydrophobicContact CD2-CB 4.48Å; L64-P96 HydrophobicContact CD2-CG 4.19Å; L64-P96 HydrophobicContact CG-CB 4.42Å; L64-P96 HydrophobicContact CG-CG 4.31Å
65F98.8Very high98.1Very high3 Ų332.8 Ų32.81%0.01319%0.185CC..Hα-helixtrans-59.6-51.4179.9-179.2-82.6000111.3A61 H62 S63 V68 Q69 R90 T94 I99A61-F65 HydrophobicContact CB-CD1 4.29Å; H62-F65 VanDerWaalsContact O-CB 3.32Å; H62-F65 WeakPolarHBondContact O-CB 3.47Å; H62-F65 PolarHBondContact O-N 3.2Å; S63-F65 VanDerWaalsContact C-N 3.35Å; S63-F65 PolarHBondContact O-N 2.96Å; F65-V68 PolarHBondContact O-N 2.84Å; F65-Q69 HydrophobicContact CE1-CB 4.43Å; F65-Q69 WeakPolarHBondContact O-CB 3.45Å; F65-Q69 PolarHBondContact O-N 3.37Å; F65-R90 HydrophobicContact CD1-CG 4.37Å; F65-R90 HydrophobicContact CD2-CG 3.91Å; F65-R90 VanDerWaalsContact CE1-CD 3.46Å; F65-R90 HydrophobicContact CE1-CG 4.31Å; F65-R90 VanDerWaalsContact CE2-CD 3.41Å; F65-R90 HydrophobicContact CE2-CG 3.8Å; F65-R90 HydrophobicContact CG-CG 4.21Å; F65-R90 HydrophobicContact CZ-CG 4.04Å; F65-T94 HydrophobicContact CE2-CG2 3.75Å; F65-T94 HydrophobicContact CZ-CG2 4.25Å; F65-I99 HydrophobicContact CD2-CG2 4.03Å; F65-I99 HydrophobicContact CE1-CG1 4.44Å; F65-I99 HydrophobicContact CE2-CB 3.88Å; F65-I99 HydrophobicContact CE2-CG1 4.34Å; F65-I99 HydrophobicContact CE2-CG2 3.69Å; F65-I99 HydrophobicContact CZ-CB 3.93Å; F65-I99 HydrophobicContact CZ-CD1 4.31Å; F65-I99 HydrophobicContact CZ-CG1 3.86Å; F65-I99 HydrophobicContact CZ-CG2 4Å
66V98.7Very high98.2Very high3 Ų328.8 Ų28.82%0.01817%0.169CC..Hα-helixtrans-71.6-32-178.4-73.50000113.1F32 A35 Q36 H62 S63 N70F32-V66 HydrophobicContact CD2-CG1 4.43Å; F32-V66 HydrophobicContact CD2-CG2 3.89Å; F32-V66 HydrophobicContact CE1-CG1 4.2Å; F32-V66 HydrophobicContact CE2-CB 4.29Å; F32-V66 HydrophobicContact CE2-CG1 3.49Å; F32-V66 VanDerWaalsContact CE2-CG1 3.49Å; F32-V66 HydrophobicContact CE2-CG2 3.78Å; F32-V66 HydrophobicContact CG-CG2 4.34Å; F32-V66 HydrophobicContact CZ-CB 4.36Å; F32-V66 HydrophobicContact CZ-CG1 3.36Å; F32-V66 HydrophobicContact CZ-CG2 4.15Å; A35-V66 HydrophobicContact CB-CG2 4.25Å; Q36-V66 HydrophobicContact CB-CB 4.14Å; Q36-V66 HydrophobicContact CB-CG2 4.08Å; Q36-V66 HydrophobicContact CG-CB 4.44Å; H62-V66 PolarHBondContact O-N 3.26Å; S63-V66 WeakPolarHBondContact O-CG2 3.44Å; V66-N70 WeakPolarHBondContact O-CB 3.26Å; V66-N70 PolarHBondContact O-N 3.18Å; V66-N70 VanDerWaalsContact O-N 3.1Å
67A98.8Very high98.3Very high0 Ų030.1 Ų30.10%017%0.17CC..Hα-helixtrans-62.6-45.6171.900000111.3A35 S63 L64 N70 G71 H72 I75 L79A35-A67 HydrophobicContact CB-CB 4.31Å; S63-A67 VanDerWaalsContact O-CB 3.32Å; S63-A67 WeakPolarHBondContact O-CB 3.27Å; S63-A67 PolarHBondContact O-N 2.92Å; L64-A67 PolarHBondContact O-N 3.31Å; A67-N70 PolarHBondContact O-N 3.5Å; A67-G71 PolarHBondContact O-N 3.1Å; A67-G71 VanDerWaalsContact O-N 3.16Å; A67-H72 HydrophobicContact CB-CB 4.39Å; A67-H72 PolarHBondContact O-N 2.89Å; A67-I75 HydrophobicContact CB-CB 4.32Å; A67-I75 HydrophobicContact CB-CG2 3.64Å; A67-L79 HydrophobicContact CB-CD1 4.01Å
68V98.9Very high98.4Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-67-45.8178.5171.60000111.3L64 F65 N70 G71 S76 P96 I99 A100 H105 L108 L112L64-V68 HydrophobicContact CD1-CG2 3.86Å; L64-V68 HydrophobicContact CG-CG2 4.28Å; L64-V68 WeakPolarHBondContact O-CB 3.26Å; L64-V68 WeakPolarHBondContact O-CG2 2.89Å; L64-V68 PolarHBondContact O-N 3.02Å; F65-V68 PolarHBondContact O-N 2.84Å; V68-N70 VanDerWaalsContact C-N 3.26Å; V68-N70 PolarHBondContact O-N 3.24Å; V68-G71 PolarHBondContact O-N 2.97Å; V68-G71 VanDerWaalsContact O-N 3.07Å; V68-S76 WeakPolarHBondContact CG2-OG 3.47Å; V68-P96 WeakPolarHBondContact CG1-O 3.43Å; V68-P96 HydrophobicContact CG2-CB 4.39Å; V68-I99 HydrophobicContact CG1-CG2 4.03Å; V68-A100 HydrophobicContact CG1-CB 3.57Å; V68-H105 PolarHBondContact O-CD2 3.24Å; V68-L108 HydrophobicContact CG1-CD1 4.37Å; V68-L108 HydrophobicContact CG2-CD2 4.36Å; V68-L112 HydrophobicContact CG1-CD1 3.94Å; V68-L112 HydrophobicContact CG2-CD1 4.21Å; V68-L112 HydrophobicContact CG2-CD2 4.23Å
69Q98.7Very high98.5Very high60 Ų6023.8 Ų23.828%0.2813%0.13SC..Hα-helixtrans-54-44.6176.9-179.7176.167.700111.6F65 G71 I99 H105F65-Q69 HydrophobicContact CE1-CB 4.43Å; F65-Q69 WeakPolarHBondContact O-CB 3.45Å; F65-Q69 PolarHBondContact O-N 3.37Å; Q69-G71 VanDerWaalsContact C-N 3.32Å; Q69-G71 PolarHBondContact O-N 3.3Å; Q69-I99 HydrophobicContact CB-CG1 3.89Å; Q69-I99 HydrophobicContact CG-CD1 4.41Å; Q69-I99 HydrophobicContact CG-CG1 3.93Å; Q69-H105 PolarHBondContact O-NE2 3.04Å; Q69-H105 VanDerWaalsContact O-NE2 3.15Å
70N98.5Very high98.5Very high72 Ų7221.6 Ų21.639%0.38512%0.118SC..THydrogen-bonded Turntrans-85.42.3-178.4-67.5-18.7000114.3Q36 V66 A67 V68Q36-N70 PolarHBondContact O-ND2 3.32Å; V66-N70 WeakPolarHBondContact O-CB 3.26Å; V66-N70 PolarHBondContact O-N 3.18Å; V66-N70 VanDerWaalsContact O-N 3.1Å; A67-N70 PolarHBondContact O-N 3.5Å; V68-N70 VanDerWaalsContact C-N 3.26Å; V68-N70 PolarHBondContact O-N 3.24Å
71G98.6Very high98.6Very high26 Ų2628.5 Ų28.527%0.26815%0.15SC..THydrogen-bonded Turntrans78.915.4175.900000115A67 V68 Q69 M73 H105A67-G71 PolarHBondContact O-N 3.1Å; A67-G71 VanDerWaalsContact O-N 3.16Å; V68-G71 PolarHBondContact O-N 2.97Å; V68-G71 VanDerWaalsContact O-N 3.07Å; Q69-G71 VanDerWaalsContact C-N 3.32Å; Q69-G71 PolarHBondContact O-N 3.3Å; G71-M73 VanDerWaalsContact C-N 3.28Å; G71-M73 PolarHBondContact O-N 3.35Å; G71-H105 WeakPolarHBondContact CA-NE2 3.44Å; G71-H105 PolarHBondContact N-NE2 3.45Å
72H98.7Very high98.5Very high52 Ų5231.6 Ų31.624%0.24117%0.171CC..  trans-78.169.5-174.9-65.5-45.6000112.8A35 Q36 G38 A67 S74 I75 S76A35-H72 PolarHBondContact O-CD2 3.36Å; Q36-H72 PolarHBondContact O-NE2 3.24Å; G38-H72 WeakPolarHBondContact CA-NE2 3.29Å; G38-H72 PolarHBondContact N-NE2 2.88Å; A67-H72 HydrophobicContact CB-CB 4.39Å; A67-H72 PolarHBondContact O-N 2.89Å; H72-S74 VanDerWaalsContact C-N 3.33Å; H72-S74 PolarHBondContact O-N 3.07Å; H72-S74 VanDerWaalsContact O-N 3.16Å; H72-I75 HydrophobicContact CB-CB 4.01Å; H72-I75 HydrophobicContact CB-CD1 4.13Å; H72-I75 HydrophobicContact CB-CG1 4.39Å; H72-I75 PolarHBondContact O-N 3.37Å; H72-S76 PolarHBondContact O-N 3.37Å; H72-S76 PolarHBondContact O-OG 3.36Å
73M98.5Very high98.5Very high53 Ų5333.7 Ų33.726%0.26119%0.193SC..Hα-helixtrans-44-51.2-177.2175.361.678.700114.3G71 I75 S76 K77 A107 L108 E111G71-M73 VanDerWaalsContact C-N 3.28Å; G71-M73 PolarHBondContact O-N 3.35Å; M73-I75 VanDerWaalsContact C-N 3.28Å; M73-I75 PolarHBondContact O-N 2.92Å; M73-S76 PolarHBondContact O-N 3.16Å; M73-K77 HydrophobicContact CG-CD 4.41Å; M73-K77 WeakPolarHBondContact O-CG 3.46Å; M73-K77 PolarHBondContact O-N 2.85Å; M73-K77 HydrophobicContact SD-CD 4.09Å; M73-K77 VanDerWaalsContact SD-CE 3.59Å; M73-K77 HydrophobicContact SD-CG 4.18Å; M73-A107 HydrophobicContact CE-CB 3.36Å; M73-A107 VanDerWaalsContact CE-O 3.29Å; M73-A107 WeakPolarHBondContact CE-O 3.47Å; M73-L108 HydrophobicContact CE-CB 4.43Å; M73-L108 HydrophobicContact CE-CD2 4.13Å; M73-L108 HydrophobicContact CE-CG 3.94Å; M73-L108 HydrophobicContact SD-CD2 3.9Å; M73-L108 HydrophobicContact SD-CG 4.34Å; M73-E111 HydrophobicContact CE-CB 4.46Å; M73-E111 HydrophobicContact SD-CB 4.26Å; M73-E111 HydrophobicContact SD-CG 4.31Å
74S98.5Very high98.5Very high63 Ų6334.1 Ų34.144%0.44120%0.196SC..Hα-helixtrans-65.7-31.6-176.7670000113.2R40 H72 M78R40-S74 WeakPolarHBondContact CD-OG 3.48Å; H72-S74 VanDerWaalsContact C-N 3.33Å; H72-S74 PolarHBondContact O-N 3.07Å; H72-S74 VanDerWaalsContact O-N 3.16Å; S74-M78 WeakPolarHBondContact O-CB 3.48Å; S74-M78 PolarHBondContact O-N 3.05Å
75I98.8Very high98.5Very high1 Ų137.8 Ų37.81%0.00522%0.216CC..Hα-helixtrans-77.5-44177.3-69.9176.2000109.9A35 G38 R40 V43 A67 H72 M73 K77 M78 L79A35-I75 HydrophobicContact CB-CG2 4Å; G38-I75 VanDerWaalsContact C-CD1 3.42Å; G38-I75 VanDerWaalsContact CA-CD1 3.47Å; R40-I75 HydrophobicContact CB-CD1 4.44Å; R40-I75 HydrophobicContact CB-CG1 4.17Å; R40-I75 HydrophobicContact CG-CG1 4.41Å; V43-I75 HydrophobicContact CG1-CG2 4.2Å; V43-I75 HydrophobicContact CG2-CD1 4.11Å; V43-I75 HydrophobicContact CG2-CG1 4.31Å; V43-I75 HydrophobicContact CG2-CG2 3.98Å; A67-I75 HydrophobicContact CB-CB 4.32Å; A67-I75 HydrophobicContact CB-CG2 3.64Å; H72-I75 HydrophobicContact CB-CB 4.01Å; H72-I75 HydrophobicContact CB-CD1 4.13Å; H72-I75 HydrophobicContact CB-CG1 4.39Å; H72-I75 PolarHBondContact O-N 3.37Å; M73-I75 VanDerWaalsContact C-N 3.28Å; M73-I75 PolarHBondContact O-N 2.92Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 3.36Å; I75-M78 PolarHBondContact O-N 3.3Å; I75-M78 VanDerWaalsContact O-N 3.14Å; I75-L79 HydrophobicContact CG2-CD1 3.64Å; I75-L79 HydrophobicContact CG2-CG 4.23Å; I75-L79 WeakPolarHBondContact O-CB 3.33Å; I75-L79 WeakPolarHBondContact O-CG 3.42Å; I75-L79 PolarHBondContact O-N 3.43Å
76S98.8Very high98.5Very high0 Ų038.2 Ų38.20%022%0.219CC..Hα-helixtrans-57.9-45.9177-550000111.3V68 H72 M73 M78 L79 M80V68-S76 WeakPolarHBondContact CG2-OG 3.47Å; H72-S76 PolarHBondContact O-N 3.37Å; H72-S76 PolarHBondContact O-OG 3.36Å; M73-S76 PolarHBondContact O-N 3.16Å; S76-M78 PolarHBondContact O-N 2.93Å; S76-L79 PolarHBondContact O-N 2.91Å; S76-M80 WeakPolarHBondContact O-CE 3.06Å; S76-M80 WeakPolarHBondContact O-CG 3.47Å; S76-M80 PolarHBondContact O-N 3.06Å
77K98.6Very high98.5Very high69 Ų6940.2 Ų40.230%0.323%0.23SC..Hα-helixtrans-55.8-48.8173.4-77.3-177.8167.1-171.90112.4M73 I75 L79 M80 Q81 E111M73-K77 HydrophobicContact CG-CD 4.41Å; M73-K77 WeakPolarHBondContact O-CG 3.46Å; M73-K77 PolarHBondContact O-N 2.85Å; M73-K77 HydrophobicContact SD-CD 4.09Å; M73-K77 VanDerWaalsContact SD-CE 3.59Å; M73-K77 HydrophobicContact SD-CG 4.18Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 3.36Å; K77-L79 PolarHBondContact O-N 3.17Å; K77-M80 PolarHBondContact O-N 3.4Å; K77-Q81 WeakPolarHBondContact O-CB 3.45Å; K77-Q81 WeakPolarHBondContact O-CG 3.49Å; K77-Q81 PolarHBondContact O-N 3.02Å; K77-E111 HydrophobicContact CD-CG 4.43Å; K77-E111 VanDerWaalsContact CE-CG 3.4Å; K77-E111 VanDerWaalsContact CE-OE1 3.26Å; K77-E111 WeakPolarHBondContact CE-OE1 3.26Å; K77-E111 WeakPolarHBondContact CE-OE2 3.35Å; K77-E111 HydrophobicContact CG-CG 3.94Å; K77-E111 IonicContact NZ-OE1 3.92Å; K77-E111 IonicContact NZ-OE2 3.18Å; K77-E111 PolarHBondContact NZ-OE2 2.83Å
78M98.5Very high98.4Very high30 Ų3043.1 Ų43.115%0.14824%0.242CC..Hα-helixtrans-62.7-43.6-179.3-173.8-179.1-59.500111.8R40 V43 K44 L47 S74 I75 S76 Q81 C82R40-M78 HydrophobicContact CG-CE 4Å; V43-M78 HydrophobicContact CB-SD 4.45Å; V43-M78 HydrophobicContact CG1-SD 3.83Å; K44-M78 HydrophobicContact CB-CE 4.09Å; K44-M78 HydrophobicContact CB-SD 3.73Å; K44-M78 HydrophobicContact CG-CE 4.47Å; K44-M78 HydrophobicContact CG-SD 4.25Å; L47-M78 HydrophobicContact CD1-CG 3.94Å; L47-M78 HydrophobicContact CD1-SD 4.2Å; S74-M78 WeakPolarHBondContact O-CB 3.48Å; S74-M78 PolarHBondContact O-N 3.05Å; I75-M78 PolarHBondContact O-N 3.3Å; I75-M78 VanDerWaalsContact O-N 3.14Å; S76-M78 PolarHBondContact O-N 2.93Å; M78-Q81 PolarHBondContact O-N 3.36Å; M78-C82 WeakPolarHBondContact O-CB 3.39Å; M78-C82 PolarHBondContact O-N 3.27Å; M78-C82 PolarHBondContact O-SG 3.24Å; M78-C82 VanDerWaalsContact O-SG 3.35Å
79L98.7Very high98.4Very high0 Ų044.6 Ų44.60%025%0.252CS..Hα-helixtrans-62.3-47.4178.3-73.5166.1000111.4L31 A35 V43 L47 L64 A67 I75 S76 K77 Q81 C82 G83 A84L31-L79 HydrophobicContact CD1-CD2 4.26Å; L31-L79 HydrophobicContact CD2-CD2 4.14Å; L31-L79 HydrophobicContact CG-CD2 4.33Å; A35-L79 HydrophobicContact CB-CD1 4.23Å; V43-L79 HydrophobicContact CG1-CD2 4.31Å; V43-L79 HydrophobicContact CG1-CG 4.39Å; L47-L79 HydrophobicContact CD1-CD2 4.13Å; L47-L79 HydrophobicContact CD2-CD2 4.27Å; L64-L79 HydrophobicContact CB-CD1 4.43Å; L64-L79 HydrophobicContact CD1-CB 4.31Å; A67-L79 HydrophobicContact CB-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CD1 3.64Å; I75-L79 HydrophobicContact CG2-CG 4.23Å; I75-L79 WeakPolarHBondContact O-CB 3.33Å; I75-L79 WeakPolarHBondContact O-CG 3.42Å; I75-L79 PolarHBondContact O-N 3.43Å; S76-L79 PolarHBondContact O-N 2.91Å; K77-L79 PolarHBondContact O-N 3.17Å; L79-Q81 PolarHBondContact O-N 3.39Å; L79-C82 CarbonylContact O-C 3.46Å; L79-C82 PolarHBondContact O-N 3.29Å; L79-C82 VanDerWaalsContact O-N 3.11Å; L79-G83 PolarHBondContact O-N 3.19Å; L79-A84 HydrophobicContact CB-CB 3.96Å; L79-A84 WeakPolarHBondContact O-CB 3.17Å; L79-A84 PolarHBondContact O-N 3.14Å
80M98.6Very high98.4Very high17 Ų1744.7 Ų44.78%0.08425%0.25CS..Hα-helixtrans-60.3-44.5176.8-68.9-177-6800111.7L64 S76 K77 C82 G83 V86 E111 L112 H115L64-M80 HydrophobicContact CD1-CG 3.91Å; L64-M80 HydrophobicContact CD2-CG 3.96Å; S76-M80 WeakPolarHBondContact O-CE 3.06Å; S76-M80 WeakPolarHBondContact O-CG 3.47Å; S76-M80 PolarHBondContact O-N 3.06Å; K77-M80 PolarHBondContact O-N 3.4Å; M80-C82 PolarHBondContact O-N 3.09Å; M80-G83 PolarHBondContact O-N 3.13Å; M80-G83 VanDerWaalsContact O-N 3.12Å; M80-V86 HydrophobicContact SD-CG2 4.03Å; M80-E111 HydrophobicContact CE-CG 3.89Å; M80-L112 HydrophobicContact SD-CD2 3.76Å; M80-H115 HydrophobicContact SD-CB 3.73Å
81Q97.8Very high98.3Very high146 Ų14646.5 Ų46.568%0.68226%0.259SS*.Hα-helixtrans-63.9-25.2176-72.5170.9-6.900113.5K77 M78 L79K77-Q81 WeakPolarHBondContact O-CB 3.45Å; K77-Q81 WeakPolarHBondContact O-CG 3.49Å; K77-Q81 PolarHBondContact O-N 3.02Å; M78-Q81 PolarHBondContact O-N 3.36Å; L79-Q81 PolarHBondContact O-N 3.39Å
82C97.4Very high98.2Very high66 Ų6647.9 Ų47.945%0.44626%0.261SS..THydrogen-bonded Turntrans-95.415.5177.1-68.80000113.4L47 M78 L79 M80L47-C82 HydrophobicContact CD1-CB 3.94Å; L47-C82 HydrophobicContact CD2-CB 4.05Å; L47-C82 HydrophobicContact CG-CB 4.44Å; M78-C82 WeakPolarHBondContact O-CB 3.39Å; M78-C82 PolarHBondContact O-N 3.27Å; M78-C82 PolarHBondContact O-SG 3.24Å; M78-C82 VanDerWaalsContact O-SG 3.35Å; L79-C82 CarbonylContact O-C 3.46Å; L79-C82 PolarHBondContact O-N 3.29Å; L79-C82 VanDerWaalsContact O-N 3.11Å; M80-C82 PolarHBondContact O-N 3.09Å
83G97.2Very high98.1Very high46 Ų4646.1 Ų46.147%0.47426%0.257SS..THydrogen-bonded Turntrans89.618.8172.200000115.2N54 L79 M80 D85N54-G83 PolarHBondContact ND2-O 2.83Å; L79-G83 PolarHBondContact O-N 3.19Å; M80-G83 PolarHBondContact O-N 3.13Å; M80-G83 VanDerWaalsContact O-N 3.12Å; G83-D85 PolarHBondContact O-N 3.24Å
84A98.4Very high98.1Very high9 Ų943.8 Ų43.87%0.07425%0.246CC..  trans-63.8128.3165.200000109.8P53 N54 L64 L79 V86P53-A84 HydrophobicContact CB-CB 4.07Å; N54-A84 WeakPolarHBondContact OD1-CA 3.39Å; L64-A84 HydrophobicContact CB-CB 4.12Å; L64-A84 HydrophobicContact CD2-CB 4.13Å; L79-A84 HydrophobicContact CB-CB 3.96Å; L79-A84 WeakPolarHBondContact O-CB 3.17Å; L79-A84 PolarHBondContact O-N 3.14Å; A84-V86 PolarHBondContact O-N 2.83Å
85D98.6Very high98.1Very high77 Ų7740.8 Ų40.841%0.41223%0.225SC..  trans-69.5111.7174.2176.10.9000109.3N54 G83 N87 K88N54-D85 WeakPolarHBondContact OD1-CB 3.22Å; N54-D85 PolarHBondContact OD1-N 2.86Å; G83-D85 PolarHBondContact O-N 3.24Å; D85-N87 PolarHBondContact O-N 3.14Å; D85-N87 WeakPolarHBondContact OD1-CA 3.22Å; D85-N87 PolarHBondContact OD1-N 2.92Å; D85-K88 HydrophobicContact CB-CB 3.91Å; D85-K88 PolarHBondContact O-N 3.28Å; D85-K88 PolarHBondContact OD1-N 2.94Å
86V98.7Very high98.1Very high13 Ų1340.8 Ų40.88%0.07923%0.225CC..THydrogen-bonded Turntrans-62.6-23.2-17976.40000112.9M80 A84 P96 L112 H115 A117M80-V86 HydrophobicContact SD-CG2 4.03Å; A84-V86 PolarHBondContact O-N 2.83Å; V86-P96 WeakPolarHBondContact O-CD 3.49Å; V86-P96 WeakPolarHBondContact O-CG 3.25Å; V86-L112 HydrophobicContact CG2-CB 4.46Å; V86-L112 HydrophobicContact CG2-CD2 3.59Å; V86-H115 WeakPolarHBondContact CG1-O 3.32Å; V86-H115 HydrophobicContact CG2-CB 4.45Å; V86-A117 HydrophobicContact CG1-CB 4.49Å; V86-A117 HydrophobicContact CG2-CB 3.84Å
87N98.6Very high98.1Very high45 Ų4540.8 Ų40.824%0.24123%0.225CC..THydrogen-bonded Turntrans-107.4-1.3-174-69.7-45.9000113.2D85 C89 D116 A117 D118D85-N87 PolarHBondContact O-N 3.14Å; D85-N87 WeakPolarHBondContact OD1-CA 3.22Å; D85-N87 PolarHBondContact OD1-N 2.92Å; N87-C89 PolarHBondContact O-N 3.35Å; N87-C89 PolarHBondContact O-SG 3.41Å; N87-D116 PolarHBondContact ND2-O 3.02Å; N87-A117 WeakPolarHBondContact OD1-CA 3.2Å; N87-D118 WeakPolarHBondContact OD1-CB 3.4Å; N87-D118 PolarHBondContact OD1-N 2.78Å
88K98.3Very high98.1Very high60 Ų6038 Ų3826%0.26121%0.213SC..PPolyproline II helixtrans-61.7128.2173.7-168.8-177.7169.677.70109.4N54 S56 H62 D85 P96N54-K88 HydrophobicContact CB-CD 4.35Å; N54-K88 WeakPolarHBondContact O-CE 3.38Å; S56-K88 WeakPolarHBondContact OG-CE 3.32Å; S56-K88 PolarHBondContact OG-NZ 3.36Å; H62-K88 VanDerWaalsContact CD2-CD 3.46Å; H62-K88 WeakPolarHBondContact CD2-CD 3.38Å; H62-K88 WeakPolarHBondContact CD2-CE 3.46Å; H62-K88 PolarHBondContact CE1-O 3.22Å; H62-K88 WeakPolarHBondContact NE2-CG 3.18Å; H62-K88 PolarHBondContact NE2-O 3.27Å; H62-K88 VanDerWaalsContact NE2-O 3.12Å; D85-K88 HydrophobicContact CB-CB 3.91Å; D85-K88 PolarHBondContact O-N 3.28Å; D85-K88 PolarHBondContact OD1-N 2.94Å; K88-P96 WeakPolarHBondContact O-CD 3.37Å
89C98.1Very high98.1Very high32 Ų3237 Ų3722%0.21621%0.207CC..PPolyproline II helixtrans-102.8157.2-177.7-65.60000112.1N87 G93 T94N87-C89 PolarHBondContact O-N 3.35Å; N87-C89 PolarHBondContact O-SG 3.41Å; C89-G93 PolarHBondContact SG-O 2.95Å; C89-T94 WeakPolarHBondContact CA-O 3.48Å
90R97.9Very high98.1Very high62 Ų6237 Ų3723%0.23421%0.207CC..PPolyproline II helixtrans-61167156.1-79.4179.962.598.910.3111.2D59 A61 F65 D92 G93 T94D59-R90 VanDerWaalsContact CG-NH2 3.35Å; D59-R90 IonicContact OD1-NH1 3.92Å; D59-R90 IonicContact OD2-CZ 3.53Å; D59-R90 IonicContact OD2-NH1 3.66Å; D59-R90 PolarHBondContact OD2-NH1 3.12Å; D59-R90 IonicContact OD2-NH2 3.96Å; D59-R90 PolarHBondContact OD2-NH2 2.99Å; A61-R90 HydrophobicContact CB-CG 4.14Å; F65-R90 HydrophobicContact CD1-CG 4.37Å; F65-R90 HydrophobicContact CD2-CG 3.91Å; F65-R90 VanDerWaalsContact CE1-CD 3.46Å; F65-R90 HydrophobicContact CE1-CG 4.31Å; F65-R90 VanDerWaalsContact CE2-CD 3.41Å; F65-R90 HydrophobicContact CE2-CG 3.8Å; F65-R90 HydrophobicContact CG-CG 4.21Å; F65-R90 HydrophobicContact CZ-CG 4.04Å; R90-D92 WeakPolarHBondContact CB-OD1 3.34Å; R90-D92 PolarHBondContact O-N 2.94Å; R90-D92 VanDerWaalsContact O-N 3.1Å; R90-G93 PolarHBondContact O-N 3.11Å; R90-T94 PolarHBondContact N-O 3.43Å
91N97.5Very high98.1Very high109 Ų10936.1 Ų36.158%0.58320%0.203SC*.THydrogen-bonded Turntrans-60.4-22.1179.5-65.8-6.4000113.7P58 D59 G60 G93P58-N91 PolarHBondContact O-ND2 3.31Å; D59-N91 VanDerWaalsContact C-CG 3.41Å; D59-N91 VanDerWaalsContact C-ND2 3.26Å; D59-N91 PolarHBondContact O-N 3.48Å; G60-N91 WeakPolarHBondContact CA-OD1 3.49Å; G60-N91 PolarHBondContact N-OD1 3.19Å; N91-G93 VanDerWaalsContact C-N 3.28Å
92D95.9Very high98.1Very high55 Ų5531.8 Ų31.829%0.29418%0.183SC..THydrogen-bonded Turntrans-89.411.2176.572.8-18.6000113.6R90 T94 R123R90-D92 WeakPolarHBondContact CB-OD1 3.34Å; R90-D92 PolarHBondContact O-N 2.94Å; R90-D92 VanDerWaalsContact O-N 3.1Å; D92-T94 VanDerWaalsContact C-N 3.29Å; D92-T94 PolarHBondContact O-N 2.97Å; D92-T94 WeakPolarHBondContact OD1-CB 3.24Å; D92-T94 PolarHBondContact OD1-N 3.4Å; D92-T94 VanDerWaalsContact OD1-N 3.08Å; D92-T94 PolarHBondContact OD1-OG1 3.29Å; D92-T94 PolarHBondContact OD2-OG1 3.35Å; D92-R123 IonicContact OD2-CZ 2.83Å; D92-R123 IonicContact OD2-NH1 3.06Å; D92-R123 PolarHBondContact OD2-NH1 2.98Å; D92-R123 IonicContact OD2-NH2 3.71Å
93G97.3Very high98.2Very high16 Ų1632 Ų3217%0.16518%0.178CC..SBendtrans80.51-177.600000114.5C89 R90 N91 S95C89-G93 PolarHBondContact SG-O 2.95Å; R90-G93 PolarHBondContact O-N 3.11Å; N91-G93 VanDerWaalsContact C-N 3.28Å; G93-S95 PolarHBondContact O-N 3.47Å
94T98.2Very high98.3Very high4 Ų433 Ų333%0.02517%0.173CC..  trans-69.7116.1-179.3-52.30000111.6F65 C89 R90 D92 W98 I99 R123F65-T94 HydrophobicContact CE2-CG2 3.75Å; F65-T94 HydrophobicContact CZ-CG2 4.25Å; C89-T94 WeakPolarHBondContact CA-O 3.48Å; R90-T94 PolarHBondContact N-O 3.43Å; D92-T94 VanDerWaalsContact C-N 3.29Å; D92-T94 PolarHBondContact O-N 2.97Å; D92-T94 WeakPolarHBondContact OD1-CB 3.24Å; D92-T94 PolarHBondContact OD1-N 3.4Å; D92-T94 VanDerWaalsContact OD1-N 3.08Å; D92-T94 PolarHBondContact OD1-OG1 3.29Å; D92-T94 PolarHBondContact OD2-OG1 3.35Å; T94-W98 HydrophobicContact CG2-CB 4.1Å; T94-W98 HydrophobicContact CG2-CD2 3.87Å; T94-W98 HydrophobicContact CG2-CE3 3.28Å; T94-W98 HydrophobicContact CG2-CG 4.22Å; T94-W98 HydrophobicContact CG2-CZ3 3.84Å; T94-I99 HydrophobicContact CG2-CB 4.19Å; T94-R123 PolarHBondContact OG1-NH1 2.87Å
95S98.5Very high98.3Very high0 Ų035.1 Ų35.10%018%0.181CC..  trans-83.6161.6174.472.60000112.4G93 L97 W98 I99G93-S95 PolarHBondContact O-N 3.47Å; S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 PolarHBondContact O-N 3.17Å; S95-W98 PolarHBondContact O-N 3.33Å; S95-W98 VanDerWaalsContact O-N 3.17Å; S95-W98 WeakPolarHBondContact OG-CB 3.36Å; S95-W98 PolarHBondContact OG-N 2.86Å; S95-W98 VanDerWaalsContact OG-N 3.11Å; S95-I99 PolarHBondContact O-N 3Å; S95-I99 VanDerWaalsContact O-N 3.08Å
96P98.8Very high98.3Very high0 Ų033.4 Ų33.40%017%0.173CC..Hα-helixtrans-52.9-42.3170-30.637.4000112.9L64 V68 V86 K88 W98 I99 A100 L112L64-P96 HydrophobicContact CD2-CB 4.48Å; L64-P96 HydrophobicContact CD2-CG 4.19Å; L64-P96 HydrophobicContact CG-CB 4.42Å; L64-P96 HydrophobicContact CG-CG 4.31Å; V68-P96 WeakPolarHBondContact CG1-O 3.43Å; V68-P96 HydrophobicContact CG2-CB 4.39Å; V86-P96 WeakPolarHBondContact O-CD 3.49Å; V86-P96 WeakPolarHBondContact O-CG 3.25Å; K88-P96 WeakPolarHBondContact O-CD 3.37Å; P96-W98 PolarHBondContact O-N 3.45Å; P96-I99 VanDerWaalsContact O-CG2 3.24Å; P96-I99 WeakPolarHBondContact O-CG2 3.22Å; P96-I99 PolarHBondContact O-N 3.36Å; P96-A100 WeakPolarHBondContact O-CB 3.39Å; P96-A100 PolarHBondContact O-N 3.11Å; P96-L112 HydrophobicContact CB-CD1 4.38Å; P96-L112 HydrophobicContact CB-CD2 4.09Å
97L98.9Very high98.3Very high0 Ų035.7 Ų35.70%019%0.194CC..Hα-helixtrans-64.2-42.6177.3-177.860.8000111.8S95 I99 A100 C101 V109 L112 I113 A117 V119 P129 L145S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 PolarHBondContact O-N 3.17Å; L97-I99 PolarHBondContact O-N 3.5Å; L97-A100 WeakPolarHBondContact O-CB 3.43Å; L97-A100 PolarHBondContact O-N 3.08Å; L97-C101 PolarHBondContact O-N 3.49Å; L97-C101 PolarHBondContact O-SG 2.94Å; L97-V109 HydrophobicContact CD1-CB 4.34Å; L97-V109 HydrophobicContact CD1-CG1 3.96Å; L97-V109 HydrophobicContact CD1-CG2 4.35Å; L97-L112 HydrophobicContact CB-CD1 4.49Å; L97-L112 HydrophobicContact CD1-CB 4.28Å; L97-L112 HydrophobicContact CD1-CD1 4.4Å; L97-I113 HydrophobicContact CD1-CG1 4.28Å; L97-I113 HydrophobicContact CD2-CG1 4.49Å; L97-A117 HydrophobicContact CB-CB 4.19Å; L97-A117 HydrophobicContact CD2-CB 4.07Å; L97-V119 HydrophobicContact CD2-CB 4.4Å; L97-V119 HydrophobicContact CD2-CG1 4.11Å; L97-P129 HydrophobicContact CD2-CB 4.38Å; L97-P129 HydrophobicContact CD2-CG 4.17Å; L97-P129 HydrophobicContact CG-CB 4.18Å; L97-P129 HydrophobicContact CG-CG 4.18Å; L97-L145 HydrophobicContact CD1-CD2 4.39Å; L97-L145 HydrophobicContact CD2-CD2 4.28Å
98W98.5Very high98.3Very high12 Ų1233.7 Ų33.75%0.04518%0.183CC..Hα-helixtrans-60.4-45.9178.6-167.8105000111.9T94 S95 P96 C101 Q102 A127 P129 K132T94-W98 HydrophobicContact CG2-CB 4.1Å; T94-W98 HydrophobicContact CG2-CD2 3.87Å; T94-W98 HydrophobicContact CG2-CE3 3.28Å; T94-W98 HydrophobicContact CG2-CG 4.22Å; T94-W98 HydrophobicContact CG2-CZ3 3.84Å; S95-W98 PolarHBondContact O-N 3.33Å; S95-W98 VanDerWaalsContact O-N 3.17Å; S95-W98 WeakPolarHBondContact OG-CB 3.36Å; S95-W98 PolarHBondContact OG-N 2.86Å; S95-W98 VanDerWaalsContact OG-N 3.11Å; P96-W98 PolarHBondContact O-N 3.45Å; W98-C101 WeakPolarHBondContact O-CB 3.34Å; W98-C101 PolarHBondContact O-N 3.01Å; W98-Q102 HydrophobicContact CE3-CB 4.48Å; W98-Q102 HydrophobicContact CZ3-CB 4.33Å; W98-Q102 PolarHBondContact O-N 3.14Å; W98-A127 PolarHBondContact NE1-O 2.86Å; W98-P129 HydrophobicContact CB-CG 4.36Å; W98-K132 HydrophobicContact CD2-CB 4.28Å; W98-K132 HydrophobicContact CD2-CG 4.14Å; W98-K132 HydrophobicContact CE3-CG 4.35Å; W98-K132 HydrophobicContact CH2-CD 3.79Å; W98-K132 VanDerWaalsContact CH2-CE 3.48Å; W98-K132 HydrophobicContact CH2-CG 3.89Å; W98-K132 HydrophobicContact CZ2-CB 3.94Å; W98-K132 HydrophobicContact CZ2-CD 3.51Å; W98-K132 HydrophobicContact CZ2-CG 3.54Å; W98-K132 HydrophobicContact CZ3-CG 4.28Å
99I98.6Very high98.3Very high7 Ų730.9 Ų30.94%0.03617%0.17CC..Hα-helixtrans-70-35.4179.2-167.264.1000111.8F65 V68 Q69 T94 S95 P96 L97 C101 Q102 M103F65-I99 HydrophobicContact CD2-CG2 4.03Å; F65-I99 HydrophobicContact CE1-CG1 4.44Å; F65-I99 HydrophobicContact CE2-CB 3.88Å; F65-I99 HydrophobicContact CE2-CG1 4.34Å; F65-I99 HydrophobicContact CE2-CG2 3.69Å; F65-I99 HydrophobicContact CZ-CB 3.93Å; F65-I99 HydrophobicContact CZ-CD1 4.31Å; F65-I99 HydrophobicContact CZ-CG1 3.86Å; F65-I99 HydrophobicContact CZ-CG2 4Å; V68-I99 HydrophobicContact CG1-CG2 4.03Å; Q69-I99 HydrophobicContact CB-CG1 3.89Å; Q69-I99 HydrophobicContact CG-CD1 4.41Å; Q69-I99 HydrophobicContact CG-CG1 3.93Å; T94-I99 HydrophobicContact CG2-CB 4.19Å; S95-I99 PolarHBondContact O-N 3Å; S95-I99 VanDerWaalsContact O-N 3.08Å; P96-I99 VanDerWaalsContact O-CG2 3.24Å; P96-I99 WeakPolarHBondContact O-CG2 3.22Å; P96-I99 PolarHBondContact O-N 3.36Å; L97-I99 PolarHBondContact O-N 3.5Å; I99-C101 VanDerWaalsContact C-N 3.26Å; I99-C101 PolarHBondContact O-N 3.36Å; I99-Q102 HydrophobicContact CD1-CB 4.45Å; I99-Q102 PolarHBondContact O-N 3.26Å; I99-M103 HydrophobicContact CD1-CE 3.95Å; I99-M103 HydrophobicContact CD1-CG 4.31Å; I99-M103 HydrophobicContact CG1-CG 4.22Å; I99-M103 WeakPolarHBondContact O-CB 3.35Å; I99-M103 VanDerWaalsContact O-CG 3.25Å; I99-M103 WeakPolarHBondContact O-CG 3.47Å; I99-M103 PolarHBondContact O-N 3.4Å
100A98.8Very high98.3Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-58.1-41.3171.800000111.6V68 P96 L97 M103 N104 H105 V109 L112V68-A100 HydrophobicContact CG1-CB 3.57Å; P96-A100 WeakPolarHBondContact O-CB 3.39Å; P96-A100 PolarHBondContact O-N 3.11Å; L97-A100 WeakPolarHBondContact O-CB 3.43Å; L97-A100 PolarHBondContact O-N 3.08Å; A100-M103 PolarHBondContact O-N 3.22Å; A100-N104 PolarHBondContact O-N 2.99Å; A100-H105 PolarHBondContact O-N 3.38Å; A100-H105 VanDerWaalsContact O-N 3.09Å; A100-V109 HydrophobicContact CB-CG2 3.72Å; A100-L112 HydrophobicContact CB-CD1 3.82Å
101C98.7Very high98.4Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-66.6-40.4178.2-670000112.1L97 W98 I99 A133 N138 V141L97-C101 PolarHBondContact O-N 3.49Å; L97-C101 PolarHBondContact O-SG 2.94Å; W98-C101 WeakPolarHBondContact O-CB 3.34Å; W98-C101 PolarHBondContact O-N 3.01Å; I99-C101 VanDerWaalsContact C-N 3.26Å; I99-C101 PolarHBondContact O-N 3.36Å; C101-A133 HydrophobicContact CB-CB 4.24Å; C101-N138 PolarHBondContact O-ND2 3.16Å; C101-V141 HydrophobicContact CB-CG1 3.85Å
102Q98.3Very high98.4Very high54 Ų5427.3 Ų27.325%0.25215%0.148SC..Hα-helixtrans-65.3-41.4175.4-174.8-177.4-26.800112.3W98 I99 N104 K132 K136W98-Q102 HydrophobicContact CE3-CB 4.48Å; W98-Q102 HydrophobicContact CZ3-CB 4.33Å; W98-Q102 PolarHBondContact O-N 3.14Å; I99-Q102 HydrophobicContact CD1-CB 4.45Å; I99-Q102 PolarHBondContact O-N 3.26Å; Q102-N104 PolarHBondContact O-N 3.45Å; Q102-K132 HydrophobicContact CB-CG 3.92Å; Q102-K132 HydrophobicContact CG-CG 4.35Å; Q102-K136 HydrophobicContact CG-CG 4.36Å
103M98.5Very high98.5Very high71 Ų7126.4 Ų26.435%0.3514%0.143SC..THydrogen-bonded Turntrans-81-1.7-175.9-61.6-66.5114.300113.6I99 A100 H105I99-M103 HydrophobicContact CD1-CE 3.95Å; I99-M103 HydrophobicContact CD1-CG 4.31Å; I99-M103 HydrophobicContact CG1-CG 4.22Å; I99-M103 WeakPolarHBondContact O-CB 3.35Å; I99-M103 VanDerWaalsContact O-CG 3.25Å; I99-M103 WeakPolarHBondContact O-CG 3.47Å; I99-M103 PolarHBondContact O-N 3.4Å; A100-M103 PolarHBondContact O-N 3.22Å; M103-H105 VanDerWaalsContact C-N 3.34Å; M103-H105 VanDerWaalsContact CB-CD2 3.47Å; M103-H105 WeakPolarHBondContact CB-CD2 3.16Å; M103-H105 WeakPolarHBondContact CB-NE2 2.89Å; M103-H105 PolarHBondContact O-N 3.25Å
104N98.5Very high98.6Very high67 Ų6733.1 Ų33.136%0.35817%0.168SC..THydrogen-bonded Turntrans6232.7-177.4-159.131.4000114.8A100 Q102 V106 N138 V141A100-N104 PolarHBondContact O-N 2.99Å; Q102-N104 PolarHBondContact O-N 3.45Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.16Å; N104-N138 HydrophobicContact CB-CB 4.49Å; N104-N138 WeakPolarHBondContact OD1-CB 3.3Å; N104-V141 WeakPolarHBondContact OD1-CG2 3.4Å
105H98.6Very high98.6Very high54 Ų5435.4 Ų35.425%0.2518%0.178CC..  trans-8671.9179.2-64.8-44.2000111.5V68 Q69 G71 A100 M103 A107 L108 V109V68-H105 PolarHBondContact O-CD2 3.24Å; Q69-H105 PolarHBondContact O-NE2 3.04Å; Q69-H105 VanDerWaalsContact O-NE2 3.15Å; G71-H105 WeakPolarHBondContact CA-NE2 3.44Å; G71-H105 PolarHBondContact N-NE2 3.45Å; A100-H105 PolarHBondContact O-N 3.38Å; A100-H105 VanDerWaalsContact O-N 3.09Å; M103-H105 VanDerWaalsContact C-N 3.34Å; M103-H105 VanDerWaalsContact CB-CD2 3.47Å; M103-H105 WeakPolarHBondContact CB-CD2 3.16Å; M103-H105 WeakPolarHBondContact CB-NE2 2.89Å; M103-H105 PolarHBondContact O-N 3.25Å; H105-A107 VanDerWaalsContact C-N 3.29Å; H105-A107 PolarHBondContact O-N 2.98Å; H105-A107 VanDerWaalsContact O-N 3.17Å; H105-L108 HydrophobicContact CB-CB 3.85Å; H105-L108 HydrophobicContact CB-CD1 3.91Å; H105-L108 HydrophobicContact CB-CG 4.36Å; H105-L108 WeakPolarHBondContact O-CA 3.46Å; H105-L108 WeakPolarHBondContact O-CB 3.46Å; H105-L108 PolarHBondContact O-N 3.36Å; H105-V109 PolarHBondContact O-N 3.09Å
106V98.6Very high98.5Very high40 Ų4042 Ų4224%0.24221%0.213CC..Hα-helixtrans-49-46.3-174.3-177.20000113N104 L108 V109 K110 E140 V141N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.16Å; V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 PolarHBondContact O-N 2.85Å; V106-V109 WeakPolarHBondContact O-CB 3.39Å; V106-V109 PolarHBondContact O-N 3.17Å; V106-K110 PolarHBondContact O-N 3.41Å; V106-K110 VanDerWaalsContact O-N 3.1Å; V106-E140 HydrophobicContact CG1-CB 4.14Å; V106-E140 HydrophobicContact CG2-CB 3.69Å; V106-V141 HydrophobicContact CG2-CG2 3.84Å
107A98.6Very high98.5Very high62 Ų6242.4 Ų42.451%0.51222%0.217SC..Hα-helixtrans-65.8-35.8-179.800000112.3M73 H105 E111M73-A107 HydrophobicContact CE-CB 3.36Å; M73-A107 VanDerWaalsContact CE-O 3.29Å; M73-A107 WeakPolarHBondContact CE-O 3.47Å; H105-A107 VanDerWaalsContact C-N 3.29Å; H105-A107 PolarHBondContact O-N 2.98Å; H105-A107 VanDerWaalsContact O-N 3.17Å; A107-E111 WeakPolarHBondContact O-CB 3.41Å; A107-E111 PolarHBondContact O-N 2.75Å
108L98.8Very high98.5Very high3 Ų345.5 Ų45.52%0.01623%0.233CC..Hα-helixtrans-72-37.2176.2-87.1169.6000111.3V68 M73 H105 V106 K110 E111 L112V68-L108 HydrophobicContact CG1-CD1 4.37Å; V68-L108 HydrophobicContact CG2-CD2 4.36Å; M73-L108 HydrophobicContact CE-CB 4.43Å; M73-L108 HydrophobicContact CE-CD2 4.13Å; M73-L108 HydrophobicContact CE-CG 3.94Å; M73-L108 HydrophobicContact SD-CD2 3.9Å; M73-L108 HydrophobicContact SD-CG 4.34Å; H105-L108 HydrophobicContact CB-CB 3.85Å; H105-L108 HydrophobicContact CB-CD1 3.91Å; H105-L108 HydrophobicContact CB-CG 4.36Å; H105-L108 WeakPolarHBondContact O-CA 3.46Å; H105-L108 WeakPolarHBondContact O-CB 3.46Å; H105-L108 PolarHBondContact O-N 3.36Å; V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 PolarHBondContact O-N 2.85Å; L108-K110 PolarHBondContact O-N 3.14Å; L108-E111 PolarHBondContact O-N 3.48Å; L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 WeakPolarHBondContact O-CD1 3.45Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.32Å
109V98.8Very high98.4Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-55.3-52.4172.9168.40000110L97 A100 H105 V106 E111 L112 I113 V141 A144 L145L97-V109 HydrophobicContact CD1-CB 4.34Å; L97-V109 HydrophobicContact CD1-CG1 3.96Å; L97-V109 HydrophobicContact CD1-CG2 4.35Å; A100-V109 HydrophobicContact CB-CG2 3.72Å; H105-V109 PolarHBondContact O-N 3.09Å; V106-V109 WeakPolarHBondContact O-CB 3.39Å; V106-V109 PolarHBondContact O-N 3.17Å; V109-E111 VanDerWaalsContact C-N 3.32Å; V109-E111 PolarHBondContact O-N 3.42Å; V109-L112 PolarHBondContact O-N 2.86Å; V109-I113 HydrophobicContact CG1-CD1 3.85Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.32Å; V109-I113 PolarHBondContact O-N 3.01Å; V109-V141 HydrophobicContact CG1-CG1 4.49Å; V109-V141 HydrophobicContact CG2-CG1 4.12Å; V109-V141 HydrophobicContact CG2-CG2 4.29Å; V109-A144 HydrophobicContact CG1-CB 4.27Å; V109-L145 HydrophobicContact CG1-CD2 4.29Å; V109-L145 HydrophobicContact CG1-CG 4.47Å
110K98.7Very high98.4Very high101 Ų10148.5 Ų48.544%0.43925%0.251SS..Hα-helixtrans-60.9-39.5177.8-67.5-173177.2-163.20112.6V106 L108 K114 A144V106-K110 PolarHBondContact O-N 3.41Å; V106-K110 VanDerWaalsContact O-N 3.1Å; L108-K110 PolarHBondContact O-N 3.14Å; K110-K114 WeakPolarHBondContact O-CB 3.29Å; K110-K114 PolarHBondContact O-N 3.08Å; K110-A144 HydrophobicContact CG-CB 4.08Å
111E98.7Very high98.3Very high27 Ų2752.2 Ų52.213%0.12627%0.267CS..Hα-helixtrans-70.6-37.6179.5-16568.4-152.600113.2M73 K77 M80 A107 L108 V109 K114 H115M73-E111 HydrophobicContact CE-CB 4.46Å; M73-E111 HydrophobicContact SD-CB 4.26Å; M73-E111 HydrophobicContact SD-CG 4.31Å; K77-E111 HydrophobicContact CD-CG 4.43Å; K77-E111 VanDerWaalsContact CE-CG 3.4Å; K77-E111 VanDerWaalsContact CE-OE1 3.26Å; K77-E111 WeakPolarHBondContact CE-OE1 3.26Å; K77-E111 WeakPolarHBondContact CE-OE2 3.35Å; K77-E111 HydrophobicContact CG-CG 3.94Å; K77-E111 IonicContact NZ-OE1 3.92Å; K77-E111 IonicContact NZ-OE2 3.18Å; K77-E111 PolarHBondContact NZ-OE2 2.83Å; M80-E111 HydrophobicContact CE-CG 3.89Å; A107-E111 WeakPolarHBondContact O-CB 3.41Å; A107-E111 PolarHBondContact O-N 2.75Å; L108-E111 PolarHBondContact O-N 3.48Å; V109-E111 VanDerWaalsContact C-N 3.32Å; V109-E111 PolarHBondContact O-N 3.42Å; E111-K114 WeakPolarHBondContact O-CB 3.37Å; E111-K114 PolarHBondContact O-N 3.43Å; E111-H115 PolarHBondContact O-N 2.95Å; E111-H115 PolarHBondContact O-ND1 2.69Å; E111-H115 IonicContact OE1-CE1 3.91Å; E111-H115 PolarHBondContact OE1-CE1 3.1Å; E111-H115 IonicContact OE1-ND1 2.9Å
112L98.8Very high98.1Very high0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-65.1-46.1175.6-73.4165.5000110.4V68 M80 V86 P96 L97 A100 L108 V109 K114 H115 D116 A117V68-L112 HydrophobicContact CG1-CD1 3.94Å; V68-L112 HydrophobicContact CG2-CD1 4.21Å; V68-L112 HydrophobicContact CG2-CD2 4.23Å; M80-L112 HydrophobicContact SD-CD2 3.76Å; V86-L112 HydrophobicContact CG2-CB 4.46Å; V86-L112 HydrophobicContact CG2-CD2 3.59Å; P96-L112 HydrophobicContact CB-CD1 4.38Å; P96-L112 HydrophobicContact CB-CD2 4.09Å; L97-L112 HydrophobicContact CB-CD1 4.49Å; L97-L112 HydrophobicContact CD1-CB 4.28Å; L97-L112 HydrophobicContact CD1-CD1 4.4Å; A100-L112 HydrophobicContact CB-CD1 3.82Å; L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 WeakPolarHBondContact O-CD1 3.45Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.32Å; V109-L112 PolarHBondContact O-N 2.86Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.25Å; L112-H115 CarbonylContact O-C 3.35Å; L112-H115 WeakPolarHBondContact O-CA 3.49Å; L112-H115 PolarHBondContact O-N 3.27Å; L112-D116 PolarHBondContact O-N 3.21Å; L112-A117 VanDerWaalsContact C-CB 3.47Å; L112-A117 HydrophobicContact CB-CB 3.89Å; L112-A117 WeakPolarHBondContact O-CB 3.21Å; L112-A117 PolarHBondContact O-N 3.02Å
113I98.5Very high98Very high36 Ų3654.5 Ų54.519%0.18528%0.283CS..Hα-helixtrans-57-42.8174.6-69.1166.9000110.7L97 V109 H115 D116 V119 L145 C148L97-I113 HydrophobicContact CD1-CG1 4.28Å; L97-I113 HydrophobicContact CD2-CG1 4.49Å; V109-I113 HydrophobicContact CG1-CD1 3.85Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.32Å; V109-I113 PolarHBondContact O-N 3.01Å; I113-H115 PolarHBondContact O-N 2.98Å; I113-D116 PolarHBondContact O-N 2.74Å; I113-V119 HydrophobicContact CD1-CG1 4.41Å; I113-V119 HydrophobicContact CG1-CG1 4.05Å; I113-L145 HydrophobicContact CD1-CD2 4.26Å; I113-C148 VanDerWaalsContact CG2-SG 3.54Å
114K97.8Very high97.7Very high158 Ų15858.1 Ų58.169%0.68730%0.299SS*.Hα-helixtrans-62.1-23.4176.1-175.4-179.5176.2-172.80113.6K110 E111 L112K110-K114 WeakPolarHBondContact O-CB 3.29Å; K110-K114 PolarHBondContact O-N 3.08Å; E111-K114 WeakPolarHBondContact O-CB 3.37Å; E111-K114 PolarHBondContact O-N 3.43Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.25Å
115H98.1Very high97.4Very high52 Ų5258.1 Ų58.124%0.24130%0.299CS..THydrogen-bonded Turntrans-10128.8175.1-71.380.4000112M80 V86 E111 L112 I113 A117M80-H115 HydrophobicContact SD-CB 3.73Å; V86-H115 WeakPolarHBondContact CG1-O 3.32Å; V86-H115 HydrophobicContact CG2-CB 4.45Å; E111-H115 PolarHBondContact O-N 2.95Å; E111-H115 PolarHBondContact O-ND1 2.69Å; E111-H115 IonicContact OE1-CE1 3.91Å; E111-H115 PolarHBondContact OE1-CE1 3.1Å; E111-H115 IonicContact OE1-ND1 2.9Å; L112-H115 CarbonylContact O-C 3.35Å; L112-H115 WeakPolarHBondContact O-CA 3.49Å; L112-H115 PolarHBondContact O-N 3.27Å; I113-H115 PolarHBondContact O-N 2.98Å; H115-A117 PolarHBondContact O-N 2.96Å
116D97.5Very high97.1Very high137 Ų13756.4 Ų56.473%0.73330%0.296SS*.THydrogen-bonded Turntrans64.135.3174.5-52.4-54.8000114.5N87 L112 I113 D118N87-D116 PolarHBondContact ND2-O 3.02Å; L112-D116 PolarHBondContact O-N 3.21Å; I113-D116 PolarHBondContact O-N 2.74Å; D116-D118 PolarHBondContact O-N 3.35Å
117A98.6Very high97Very high9 Ų954.7 Ų54.77%0.07429%0.286CS..  trans-63130.8166.900000111.1V86 N87 L97 L112 H115 V119V86-A117 HydrophobicContact CG1-CB 4.49Å; V86-A117 HydrophobicContact CG2-CB 3.84Å; N87-A117 WeakPolarHBondContact OD1-CA 3.2Å; L97-A117 HydrophobicContact CB-CB 4.19Å; L97-A117 HydrophobicContact CD2-CB 4.07Å; L112-A117 VanDerWaalsContact C-CB 3.47Å; L112-A117 HydrophobicContact CB-CB 3.89Å; L112-A117 WeakPolarHBondContact O-CB 3.21Å; L112-A117 PolarHBondContact O-N 3.02Å; H115-A117 PolarHBondContact O-N 2.96Å; A117-V119 PolarHBondContact O-N 3.32Å; A117-V119 VanDerWaalsContact O-N 3.11Å
118D98.2Very high97Very high65 Ų6552 Ų5235%0.34826%0.263SS..  trans-69.6104.9176.3176.90.2000109.8N87 D116 D120 K121N87-D118 WeakPolarHBondContact OD1-CB 3.4Å; N87-D118 PolarHBondContact OD1-N 2.78Å; D116-D118 PolarHBondContact O-N 3.35Å; D118-D120 PolarHBondContact O-N 3.5Å; D118-D120 PolarHBondContact OD1-N 3.19Å; D118-K121 HydrophobicContact CB-CB 3.95Å; D118-K121 HydrophobicContact CB-CD 4.42Å; D118-K121 WeakPolarHBondContact O-CB 3.49Å; D118-K121 PolarHBondContact O-N 3.03Å; D118-K121 PolarHBondContact OD1-N 2.95Å; D118-K121 WeakPolarHBondContact OD2-CD 3.35Å
119V97.9Very high96.9Very high22 Ų2251.9 Ų51.913%0.13326%0.263CS..THydrogen-bonded Turntrans-64.7-21-178.4-64.80000113.5L97 I113 A117 P129 C148 P150L97-V119 HydrophobicContact CD2-CB 4.4Å; L97-V119 HydrophobicContact CD2-CG1 4.11Å; I113-V119 HydrophobicContact CD1-CG1 4.41Å; I113-V119 HydrophobicContact CG1-CG1 4.05Å; A117-V119 PolarHBondContact O-N 3.32Å; A117-V119 VanDerWaalsContact O-N 3.11Å; V119-P129 WeakPolarHBondContact O-CD 3.4Å; V119-P129 WeakPolarHBondContact O-CG 3.41Å; V119-C148 HydrophobicContact CG1-CB 4.08Å; V119-C148 HydrophobicContact CG2-CB 4.48Å; V119-P150 HydrophobicContact CB-CB 4.5Å; V119-P150 HydrophobicContact CG2-CB 4.24Å
120D97.2Very high96.9Very high61 Ų6151.9 Ų51.933%0.32626%0.263SS..THydrogen-bonded Turntrans-105.56.6-178.3-69.4-38.9000112.6D118 A122 P150 Y151D118-D120 PolarHBondContact O-N 3.5Å; D118-D120 PolarHBondContact OD1-N 3.19Å; D120-A122 PolarHBondContact O-N 3.22Å; D120-P150 WeakPolarHBondContact OD1-CB 3.5Å; D120-Y151 PolarHBondContact OD1-N 2.81Å; D120-Y151 PolarHBondContact OD2-N 3.43Å
121K96.4Very high96.9Very high77 Ų7747.7 Ų47.734%0.33525%0.245SC..  trans-61.294.1-179.2-16472.5173.3-175.10112.1D118 P129D118-K121 HydrophobicContact CB-CB 3.95Å; D118-K121 HydrophobicContact CB-CD 4.42Å; D118-K121 WeakPolarHBondContact O-CB 3.49Å; D118-K121 PolarHBondContact O-N 3.03Å; D118-K121 PolarHBondContact OD1-N 2.95Å; D118-K121 WeakPolarHBondContact OD2-CD 3.35Å; K121-P129 WeakPolarHBondContact O-CD 3.24Å
122A95.7Very high96.8Very high45 Ų4548 Ų4837%0.37225%0.245SC..  trans-80.4147.9-179.100000112.5D120 T128D120-A122 PolarHBondContact O-N 3.22Å; A122-T128 HydrophobicContact CB-CG2 4.14Å
123R95.9Very high96.8Very high58 Ų5848 Ų4822%0.21925%0.245CC..  trans-70.1172.6162.9-7616754.8105.18.4111D92 T94 D125 G126 A127D92-R123 IonicContact OD2-CZ 2.83Å; D92-R123 IonicContact OD2-NH1 3.06Å; D92-R123 PolarHBondContact OD2-NH1 2.98Å; D92-R123 IonicContact OD2-NH2 3.71Å; T94-R123 PolarHBondContact OG1-NH1 2.87Å; R123-D125 VanDerWaalsContact CB-OD1 3.22Å; R123-D125 WeakPolarHBondContact CB-OD1 3.17Å; R123-D125 IonicContact NE-OD1 3.73Å; R123-D125 IonicContact NE-OD2 3.66Å; R123-D125 PolarHBondContact O-N 3.35Å; R123-D125 VanDerWaalsContact O-N 3.14Å; R123-G126 PolarHBondContact O-N 2.95Å; R123-A127 PolarHBondContact N-O 3.07Å; R123-A127 VanDerWaalsContact N-O 3.13Å
124E91.5Very high96.8Very high147 Ų14746.2 Ų46.269%0.68724%0.237SC*.THydrogen-bonded Turntrans-60.9-21.8179.7-61.6-174.3163.600114.8G126 K156E124-G126 VanDerWaalsContact C-N 3.33Å; E124-K156 WeakPolarHBondContact O-CE 3.37Å; E124-K156 PolarHBondContact O-NZ 3.17Å
125D91.7Very high96.8Very high66 Ų6641 Ų4135%0.35322%0.215SC..THydrogen-bonded Turntrans-84.3-6.1175.456.69.6000113.4R123 A127 K156R123-D125 VanDerWaalsContact CB-OD1 3.22Å; R123-D125 WeakPolarHBondContact CB-OD1 3.17Å; R123-D125 IonicContact NE-OD1 3.73Å; R123-D125 IonicContact NE-OD2 3.66Å; R123-D125 PolarHBondContact O-N 3.35Å; R123-D125 VanDerWaalsContact O-N 3.14Å; D125-A127 WeakPolarHBondContact OD1-CB 3.3Å; D125-A127 PolarHBondContact OD1-N 2.97Å; D125-K156 PolarHBondContact O-N 3.27Å
126G94Very high96.8Very high19 Ų1942.8 Ų42.820%0.19622%0.221CC..  trans92.4-1.6-175.300000114.1R123 E124 T128R123-G126 PolarHBondContact O-N 2.95Å; E124-G126 VanDerWaalsContact C-N 3.33Å; G126-T128 PolarHBondContact O-N 3.1Å; G126-T128 VanDerWaalsContact O-N 3.09Å
127A96.1Very high96.9Very high4 Ų437.2 Ų37.23%0.03320%0.196CC..  trans-70.7109.1-176.900000111.4W98 R123 D125 F131 L155W98-A127 PolarHBondContact NE1-O 2.86Å; R123-A127 PolarHBondContact N-O 3.07Å; R123-A127 VanDerWaalsContact N-O 3.13Å; D125-A127 WeakPolarHBondContact OD1-CB 3.3Å; D125-A127 PolarHBondContact OD1-N 2.97Å; A127-F131 HydrophobicContact CB-CD1 4.03Å; A127-L155 VanDerWaalsContact CA-CD2 3.45Å; A127-L155 HydrophobicContact CB-CD2 3.68Å; A127-L155 VanDerWaalsContact N-CD2 3.35Å
128T97.3Very high96.9Very high5 Ų537.7 Ų37.73%0.03120%0.198CC..  trans-76.5165.1172.263.70000111.8A122 G126 L130 F131 K132A122-T128 HydrophobicContact CB-CG2 4.14Å; G126-T128 PolarHBondContact O-N 3.1Å; G126-T128 VanDerWaalsContact O-N 3.09Å; T128-L130 PolarHBondContact O-N 3.48Å; T128-F131 WeakPolarHBondContact O-CB 3.43Å; T128-F131 PolarHBondContact O-N 3.16Å; T128-F131 PolarHBondContact OG1-N 3.45Å; T128-F131 VanDerWaalsContact OG1-N 3.16Å; T128-K132 PolarHBondContact O-N 3.33Å
129P98.2Very high96.9Very high0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-53.3-41.1169.6-27.535.9000112.9L97 W98 V119 K121 K132 A133 L145L97-P129 HydrophobicContact CD2-CB 4.38Å; L97-P129 HydrophobicContact CD2-CG 4.17Å; L97-P129 HydrophobicContact CG-CB 4.18Å; L97-P129 HydrophobicContact CG-CG 4.18Å; W98-P129 HydrophobicContact CB-CG 4.36Å; V119-P129 WeakPolarHBondContact O-CD 3.4Å; V119-P129 WeakPolarHBondContact O-CG 3.41Å; K121-P129 WeakPolarHBondContact O-CD 3.24Å; P129-K132 PolarHBondContact O-N 3.3Å; P129-A133 WeakPolarHBondContact O-CB 3.4Å; P129-A133 PolarHBondContact O-N 2.98Å; P129-L145 HydrophobicContact CB-CD1 4.26Å; P129-L145 HydrophobicContact CB-CD2 4.37Å
130L98.5Very high96.9Very high1 Ų141.4 Ų41.41%0.00521%0.211CC..Hα-helixtrans-62.7-45.5176.4-179.363.4000112T128 K132 A133 A134 V142 L145 L146 P150 F152 P161 L177T128-L130 PolarHBondContact O-N 3.48Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 3.15Å; L130-A133 PolarHBondContact O-N 3.44Å; L130-A134 WeakPolarHBondContact O-CB 3.23Å; L130-A134 PolarHBondContact O-N 3.39Å; L130-V142 HydrophobicContact CD1-CG1 3.99Å; L130-L145 HydrophobicContact CB-CD1 4.21Å; L130-L145 HydrophobicContact CD1-CB 4.36Å; L130-L145 HydrophobicContact CD1-CD1 4.29Å; L130-L146 HydrophobicContact CD1-CD2 4.28Å; L130-L146 HydrophobicContact CD1-CG 4.28Å; L130-L146 HydrophobicContact CD2-CD2 4.11Å; L130-P150 HydrophobicContact CD2-CG 3.99Å; L130-F152 HydrophobicContact CD2-CD1 4.19Å; L130-F152 HydrophobicContact CD2-CE1 4.43Å; L130-F152 HydrophobicContact CD2-CG 4.39Å; L130-P161 HydrophobicContact CD2-CB 4.48Å; L130-P161 HydrophobicContact CD2-CG 4.08Å; L130-P161 HydrophobicContact CG-CB 4.13Å; L130-P161 HydrophobicContact CG-CG 3.99Å; L130-L177 HydrophobicContact CD1-CD2 4.13Å; L130-L177 HydrophobicContact CD2-CD2 4.36Å; L130-L177 HydrophobicContact CG-CD2 4.48Å
131F97.8Very high97Very high12 Ų1238.5 Ų38.55%0.05320%0.195CC..Hα-helixtrans-56.2-46174.8-177.5-84.2000110.7A127 T128 A134 H135 L155 E159 P161 A164A127-F131 HydrophobicContact CB-CD1 4.03Å; T128-F131 WeakPolarHBondContact O-CB 3.43Å; T128-F131 PolarHBondContact O-N 3.16Å; T128-F131 PolarHBondContact OG1-N 3.45Å; T128-F131 VanDerWaalsContact OG1-N 3.16Å; F131-A134 PolarHBondContact O-N 2.75Å; F131-H135 HydrophobicContact CE1-CB 4.39Å; F131-H135 WeakPolarHBondContact O-CB 3.47Å; F131-H135 PolarHBondContact O-N 2.84Å; F131-L155 HydrophobicContact CD1-CD2 4.23Å; F131-L155 HydrophobicContact CD2-CD2 4.22Å; F131-L155 HydrophobicContact CD2-CG 4.1Å; F131-L155 HydrophobicContact CE1-CD1 3.88Å; F131-L155 HydrophobicContact CE1-CD2 4.19Å; F131-L155 HydrophobicContact CE1-CG 4.25Å; F131-L155 HydrophobicContact CE2-CD1 3.79Å; F131-L155 HydrophobicContact CE2-CD2 4.18Å; F131-L155 HydrophobicContact CE2-CG 3.65Å; F131-L155 HydrophobicContact CG-CD2 4.26Å; F131-L155 HydrophobicContact CZ-CD1 3.37Å; F131-L155 HydrophobicContact CZ-CD2 4.18Å; F131-L155 HydrophobicContact CZ-CG 3.75Å; F131-E159 HydrophobicContact CE2-CB 4.12Å; F131-P161 HydrophobicContact CB-CG 4.27Å; F131-P161 HydrophobicContact CD2-CG 4.48Å; F131-A164 HydrophobicContact CE1-CB 4.45Å; F131-A164 HydrophobicContact CE2-CB 3.93Å; F131-A164 HydrophobicContact CZ-CB 3.87Å
132K97.9Very high97.1Very high33 Ų3334.9 Ų34.914%0.14318%0.179CC..Hα-helixtrans-68-40.9-177.7-168.656.5170.3-171.80112.8W98 Q102 T128 P129 L130 A134 K136W98-K132 HydrophobicContact CD2-CB 4.28Å; W98-K132 HydrophobicContact CD2-CG 4.14Å; W98-K132 HydrophobicContact CE3-CG 4.35Å; W98-K132 HydrophobicContact CH2-CD 3.79Å; W98-K132 VanDerWaalsContact CH2-CE 3.48Å; W98-K132 HydrophobicContact CH2-CG 3.89Å; W98-K132 HydrophobicContact CZ2-CB 3.94Å; W98-K132 HydrophobicContact CZ2-CD 3.51Å; W98-K132 HydrophobicContact CZ2-CG 3.54Å; W98-K132 HydrophobicContact CZ3-CG 4.28Å; Q102-K132 HydrophobicContact CB-CG 3.92Å; Q102-K132 HydrophobicContact CG-CG 4.35Å; T128-K132 PolarHBondContact O-N 3.33Å; P129-K132 PolarHBondContact O-N 3.3Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 3.15Å; K132-A134 VanDerWaalsContact C-N 3.33Å; K132-K136 WeakPolarHBondContact O-CG 3.41Å; K132-K136 PolarHBondContact O-N 3.37Å; K132-K136 VanDerWaalsContact O-N 3.07Å
133A98.5Very high97.2Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-61.1-43.5174.800000111.2C101 P129 L130 K136 G137 N138 V141 V142 L145C101-A133 HydrophobicContact CB-CB 4.24Å; P129-A133 WeakPolarHBondContact O-CB 3.4Å; P129-A133 PolarHBondContact O-N 2.98Å; L130-A133 PolarHBondContact O-N 3.44Å; A133-K136 PolarHBondContact O-N 2.99Å; A133-G137 PolarHBondContact O-N 3.07Å; A133-N138 PolarHBondContact O-N 2.92Å; A133-N138 VanDerWaalsContact O-N 3.09Å; A133-V141 HydrophobicContact CB-CB 4.31Å; A133-V141 HydrophobicContact CB-CG1 3.61Å; A133-V142 HydrophobicContact CB-CG2 3.63Å; A133-L145 HydrophobicContact CB-CD1 4.05Å
134A98.4Very high97.3Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-66.8-44.5178.600000112.7L130 F131 K132 K136 G137 P161 A165 H170 V173 L177L130-A134 WeakPolarHBondContact O-CB 3.23Å; L130-A134 PolarHBondContact O-N 3.39Å; F131-A134 PolarHBondContact O-N 2.75Å; K132-A134 VanDerWaalsContact C-N 3.33Å; A134-K136 PolarHBondContact O-N 3.22Å; A134-G137 PolarHBondContact O-N 2.8Å; A134-G137 VanDerWaalsContact O-N 3.13Å; A134-P161 HydrophobicContact CB-CB 3.77Å; A134-P161 WeakPolarHBondContact CB-O 3.39Å; A134-A165 HydrophobicContact CB-CB 4.48Å; A134-H170 PolarHBondContact O-CD2 2.99Å; A134-H170 VanDerWaalsContact O-CD2 3.29Å; A134-V173 HydrophobicContact CB-CG1 4.01Å; A134-L177 HydrophobicContact CB-CD1 4.06Å
135H97.4Very high97.6Very high49 Ų4926.6 Ų26.623%0.22714%0.136CC..Hα-helixtrans-55.8-37.2172.3173.4-58.8000112F131 A164 F168 H170F131-H135 HydrophobicContact CE1-CB 4.39Å; F131-H135 WeakPolarHBondContact O-CB 3.47Å; F131-H135 PolarHBondContact O-N 2.84Å; H135-A164 HydrophobicContact CB-CB 4Å; H135-F168 AromaticContact CD2-CE2 3.35Å; H135-F168 WeakPolarHBondContact CD2-CE2 3.09Å; H135-F168 AromaticContact CD2-CZ 3.95Å; H135-F168 AromaticContact CE1-CE2 3.86Å; H135-F168 AromaticContact CE1-CZ 3.88Å; H135-F168 AromaticContact CG-CE2 3.94Å; H135-F168 AromaticContact NE2-CE2 3.36Å; H135-F168 WeakPolarHBondContact NE2-CE2 3.35Å; H135-F168 AromaticContact NE2-CZ 3.43Å; H135-F168 WeakPolarHBondContact NE2-CZ 3.3Å; H135-H170 PolarHBondContact O-NE2 3.35Å
136K98.4Very high97.9Very high88 Ų8823.9 Ų23.938%0.38312%0.121SC..Hα-helixtrans-84.1-13.3-179.7-71.6-61-172.1-179.40114.1Q102 K132 A133 A134 N138Q102-K136 HydrophobicContact CG-CG 4.36Å; K132-K136 WeakPolarHBondContact O-CG 3.41Å; K132-K136 PolarHBondContact O-N 3.37Å; K132-K136 VanDerWaalsContact O-N 3.07Å; A133-K136 PolarHBondContact O-N 2.99Å; A134-K136 PolarHBondContact O-N 3.22Å; K136-N138 VanDerWaalsContact C-N 3.32Å
137G98.5Very high98Very high20 Ų2029.2 Ų29.221%0.20614%0.141CC..THydrogen-bonded Turntrans77.119.1-177.300000113.7A133 A134 F139 H170A133-G137 PolarHBondContact O-N 3.07Å; A134-G137 PolarHBondContact O-N 2.8Å; A134-G137 VanDerWaalsContact O-N 3.13Å; G137-F139 VanDerWaalsContact C-N 3.35Å; G137-F139 PolarHBondContact O-N 3.22Å; G137-H170 VanDerWaalsContact CA-CD2 3.42Å; G137-H170 WeakPolarHBondContact CA-CD2 3.28Å; G137-H170 PolarHBondContact N-CD2 3.48Å; G137-H170 PolarHBondContact N-NE2 3.26Å
138N98.6Very high98Very high20 Ų2031.6 Ų31.611%0.10716%0.157CC..  trans-79.180.9-174.2-69.1-12.5000110.3C101 N104 A133 K136 E140 V141 V142C101-N138 PolarHBondContact O-ND2 3.16Å; N104-N138 HydrophobicContact CB-CB 4.49Å; N104-N138 WeakPolarHBondContact OD1-CB 3.3Å; A133-N138 PolarHBondContact O-N 2.92Å; A133-N138 VanDerWaalsContact O-N 3.09Å; K136-N138 VanDerWaalsContact C-N 3.32Å; N138-E140 PolarHBondContact O-N 3.23Å; N138-V141 HydrophobicContact CB-CB 3.92Å; N138-V141 HydrophobicContact CB-CG2 4.09Å; N138-V141 WeakPolarHBondContact O-CB 3.35Å; N138-V141 PolarHBondContact O-N 2.99Å; N138-V141 VanDerWaalsContact O-N 3.16Å; N138-V142 WeakPolarHBondContact O-CG2 3.13Å; N138-V142 PolarHBondContact O-N 3.3Å
139F98.7Very high97.8Very high64 Ų6440 Ų4028%0.28119%0.188SC..Hα-helixtrans-53.9-51.8-170.3-179.6-90000113.5G137 V141 V142 E143 N172 V173 L176G137-F139 VanDerWaalsContact C-N 3.35Å; G137-F139 PolarHBondContact O-N 3.22Å; F139-V141 VanDerWaalsContact C-N 3.27Å; F139-V141 PolarHBondContact O-N 3.18Å; F139-V142 WeakPolarHBondContact O-CB 3.35Å; F139-V142 PolarHBondContact O-N 3.3Å; F139-V142 VanDerWaalsContact O-N 3.15Å; F139-E143 PolarHBondContact O-N 3.49Å; F139-N172 HydrophobicContact CD2-CB 3.89Å; F139-N172 HydrophobicContact CE2-CB 4.14Å; F139-V173 HydrophobicContact CB-CG2 4.26Å; F139-V173 HydrophobicContact CD2-CG2 4.37Å; F139-L176 HydrophobicContact CD2-CD2 4.16Å; F139-L176 HydrophobicContact CE2-CB 3.99Å; F139-L176 HydrophobicContact CE2-CD2 3.76Å; F139-L176 HydrophobicContact CE2-CG 4.43Å; F139-L176 HydrophobicContact CZ-CD2 4.01Å
140E98.6Very high97.4Very high101 Ų10140.3 Ų40.347%0.47219%0.19SC..Hα-helixtrans-68.3-28-177.6-63.684.817100112.4V106 N138 A144V106-E140 HydrophobicContact CG1-CB 4.14Å; V106-E140 HydrophobicContact CG2-CB 3.69Å; N138-E140 PolarHBondContact O-N 3.23Å; E140-A144 WeakPolarHBondContact O-CB 3.45Å; E140-A144 PolarHBondContact O-N 2.68Å
141V98.7Very high96.9Very high0 Ų047.5 Ų47.50%022%0.218CC..Hα-helixtrans-70.8-45.1171.3171.40000110.4C101 N104 V106 V109 A133 N138 F139 E143 A144 L145C101-V141 HydrophobicContact CB-CG1 3.85Å; N104-V141 WeakPolarHBondContact OD1-CG2 3.4Å; V106-V141 HydrophobicContact CG2-CG2 3.84Å; V109-V141 HydrophobicContact CG1-CG1 4.49Å; V109-V141 HydrophobicContact CG2-CG1 4.12Å; V109-V141 HydrophobicContact CG2-CG2 4.29Å; A133-V141 HydrophobicContact CB-CB 4.31Å; A133-V141 HydrophobicContact CB-CG1 3.61Å; N138-V141 HydrophobicContact CB-CB 3.92Å; N138-V141 HydrophobicContact CB-CG2 4.09Å; N138-V141 WeakPolarHBondContact O-CB 3.35Å; N138-V141 PolarHBondContact O-N 2.99Å; N138-V141 VanDerWaalsContact O-N 3.16Å; F139-V141 VanDerWaalsContact C-N 3.27Å; F139-V141 PolarHBondContact O-N 3.18Å; V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 PolarHBondContact O-N 2.91Å; V141-A144 PolarHBondContact O-N 2.92Å; V141-L145 HydrophobicContact CG1-CD1 4.1Å; V141-L145 HydrophobicContact CG1-CG 4.43Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.45Å
142V98.6Very high96.4Very high0 Ų049.1 Ų49.10%023%0.225CC..Hα-helixtrans-59.2-44.6176.4171.60000110L130 A133 N138 F139 L145 L146 V173 L176 L177L130-V142 HydrophobicContact CD1-CG1 3.99Å; A133-V142 HydrophobicContact CB-CG2 3.63Å; N138-V142 WeakPolarHBondContact O-CG2 3.13Å; N138-V142 PolarHBondContact O-N 3.3Å; F139-V142 WeakPolarHBondContact O-CB 3.35Å; F139-V142 PolarHBondContact O-N 3.3Å; F139-V142 VanDerWaalsContact O-N 3.15Å; V142-L145 PolarHBondContact O-N 3.21Å; V142-L146 HydrophobicContact CG1-CD1 3.56Å; V142-L146 HydrophobicContact CG1-CG 4.27Å; V142-L146 WeakPolarHBondContact O-CB 3.4Å; V142-L146 WeakPolarHBondContact O-CG 3.47Å; V142-L146 PolarHBondContact O-N 2.89Å; V142-V173 HydrophobicContact CG1-CG1 4.33Å; V142-V173 HydrophobicContact CG2-CG1 4.02Å; V142-L176 HydrophobicContact CB-CD2 4.37Å; V142-L176 HydrophobicContact CG1-CD2 3.84Å; V142-L176 HydrophobicContact CG1-CG 4.43Å; V142-L177 HydrophobicContact CG1-CD2 4.15Å; V142-L177 HydrophobicContact CG1-CG 4.45Å
143E98.3Very high95.4Very high75 Ų7547.7 Ų47.735%0.3522%0.22SC..Hα-helixtrans-58.8-50.5175.5-172.7173.1-116.300111.6F139 V141 L145 L146 E147 L176F139-E143 PolarHBondContact O-N 3.49Å; V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 PolarHBondContact O-N 2.91Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.38Å; E143-L146 PolarHBondContact O-N 3.37Å; E143-L146 VanDerWaalsContact O-N 3.16Å; E143-E147 PolarHBondContact O-N 3.26Å; E143-L176 HydrophobicContact CB-CD2 4.02Å
144A98.1Very high94.9Very high2 Ų250.6 Ų50.62%0.01724%0.235CC..Hα-helixtrans-60.7-36.4178.600000113.4V109 K110 E140 V141V109-A144 HydrophobicContact CG1-CB 4.27Å; K110-A144 HydrophobicContact CG-CB 4.08Å; E140-A144 WeakPolarHBondContact O-CB 3.45Å; E140-A144 PolarHBondContact O-N 2.68Å; V141-A144 PolarHBondContact O-N 2.92Å
145L98.2Very high94.6Very high0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-69-44175-71.3171.8000111.2L97 V109 I113 P129 L130 A133 V141 V142 E143 E147 C148 P150L97-L145 HydrophobicContact CD1-CD2 4.39Å; L97-L145 HydrophobicContact CD2-CD2 4.28Å; V109-L145 HydrophobicContact CG1-CD2 4.29Å; V109-L145 HydrophobicContact CG1-CG 4.47Å; I113-L145 HydrophobicContact CD1-CD2 4.26Å; P129-L145 HydrophobicContact CB-CD1 4.26Å; P129-L145 HydrophobicContact CB-CD2 4.37Å; L130-L145 HydrophobicContact CB-CD1 4.21Å; L130-L145 HydrophobicContact CD1-CB 4.36Å; L130-L145 HydrophobicContact CD1-CD1 4.29Å; A133-L145 HydrophobicContact CB-CD1 4.05Å; V141-L145 HydrophobicContact CG1-CD1 4.1Å; V141-L145 HydrophobicContact CG1-CG 4.43Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.45Å; V142-L145 PolarHBondContact O-N 3.21Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.38Å; L145-E147 PolarHBondContact O-N 3.05Å; L145-C148 WeakPolarHBondContact O-CB 3.23Å; L145-C148 PolarHBondContact O-N 2.95Å; L145-P150 WeakPolarHBondContact O-CD 3.34Å
146L97.7Very high94.1Very high8 Ų857.3 Ų57.34%0.04227%0.265CS..Hα-helixtrans-65.6-25.4-176.6-70.7167.9000113.3L130 V142 E143 C148 R149 P150 F152 L176 L177 E180L130-L146 HydrophobicContact CD1-CD2 4.28Å; L130-L146 HydrophobicContact CD1-CG 4.28Å; L130-L146 HydrophobicContact CD2-CD2 4.11Å; V142-L146 HydrophobicContact CG1-CD1 3.56Å; V142-L146 HydrophobicContact CG1-CG 4.27Å; V142-L146 WeakPolarHBondContact O-CB 3.4Å; V142-L146 WeakPolarHBondContact O-CG 3.47Å; V142-L146 PolarHBondContact O-N 2.89Å; E143-L146 PolarHBondContact O-N 3.37Å; E143-L146 VanDerWaalsContact O-N 3.16Å; L146-C148 PolarHBondContact O-N 2.92Å; L146-C148 VanDerWaalsContact O-N 3.16Å; L146-R149 PolarHBondContact O-N 3.4Å; L146-P150 HydrophobicContact CD2-CG 4.24Å; L146-F152 HydrophobicContact CD2-CE1 4.1Å; L146-F152 HydrophobicContact CD2-CE2 4.2Å; L146-F152 HydrophobicContact CD2-CZ 3.6Å; L146-L176 HydrophobicContact CD1-CD1 4.41Å; L146-L176 HydrophobicContact CD1-CD2 4.13Å; L146-L176 HydrophobicContact CD1-CG 3.83Å; L146-L177 HydrophobicContact CD1-CD2 4.23Å; L146-L177 HydrophobicContact CD2-CD2 4.49Å; L146-E180 HydrophobicContact CB-CG 4.26Å; L146-E180 HydrophobicContact CD1-CB 4.11Å; L146-E180 HydrophobicContact CD1-CG 3.81Å; L146-E180 HydrophobicContact CD2-CB 4.17Å; L146-E180 HydrophobicContact CG-CG 4.43Å
147E96.4Very high93.7Very high132 Ų13255.1 Ų55.162%0.61726%0.257SS*.THydrogen-bonded Turntrans-54.7-28.3169.2-71.5175-17400112.4E143 L145E143-E147 PolarHBondContact O-N 3.26Å; L145-E147 PolarHBondContact O-N 3.05Å
148C95.2Very high93.3Very high53 Ų5355 Ų5536%0.35826%0.256SS..THydrogen-bonded Turntrans-89.53.6179-63.40000114.5I113 V119 L145 L146I113-C148 VanDerWaalsContact CG2-SG 3.54Å; V119-C148 HydrophobicContact CG1-CB 4.08Å; V119-C148 HydrophobicContact CG2-CB 4.48Å; L145-C148 WeakPolarHBondContact O-CB 3.23Å; L145-C148 PolarHBondContact O-N 2.95Å; L146-C148 PolarHBondContact O-N 2.92Å; L146-C148 VanDerWaalsContact O-N 3.16Å
149R93.2Very high93.1Very high182 Ų18255.7 Ų55.769%0.68726%0.258SS*.  trans50.652.5-175.3-59.1-63-172.2-164.2-4.9113.8L146 E180L146-R149 PolarHBondContact O-N 3.4Å; R149-E180 IonicContact CZ-OE2 3.12Å; R149-E180 IonicContact NH1-OE2 2.68Å; R149-E180 PolarHBondContact NH1-OE2 3.4Å
150P90.4Very high93Very high7 Ų752.8 Ų52.85%0.04525%0.246CC..  trans-66.4158.3-179.731.9-36.9000110.8V119 D120 L130 L145 L146V119-P150 HydrophobicContact CB-CB 4.5Å; V119-P150 HydrophobicContact CG2-CB 4.24Å; D120-P150 WeakPolarHBondContact OD1-CB 3.5Å; L130-P150 HydrophobicContact CD2-CG 3.99Å; L145-P150 WeakPolarHBondContact O-CD 3.34Å; L146-P150 HydrophobicContact CD2-CG 4.24Å
151Y87.5Confident92.9Very high152 Ų15248 Ų4860%0.59622%0.224SC*.  trans-67.3135169.1-179.2-121000109.9D120 G153D120-Y151 PolarHBondContact OD1-N 2.81Å; D120-Y151 PolarHBondContact OD2-N 3.43Å; Y151-G153 VanDerWaalsContact CD1-CA 3.4Å; Y151-G153 VanDerWaalsContact CE1-CA 3.46Å; Y151-G153 PolarHBondContact O-N 3.32Å
152F87.2Confident92.8Very high45 Ų4548.7 Ų48.720%0.19723%0.227CC..  trans-76.958174.2-72-107.6000110.2L130 L146 L177 E180 A182L130-F152 HydrophobicContact CD2-CD1 4.19Å; L130-F152 HydrophobicContact CD2-CE1 4.43Å; L130-F152 HydrophobicContact CD2-CG 4.39Å; L146-F152 HydrophobicContact CD2-CE1 4.1Å; L146-F152 HydrophobicContact CD2-CE2 4.2Å; L146-F152 HydrophobicContact CD2-CZ 3.6Å; F152-L177 HydrophobicContact CD1-CD2 4.18Å; F152-L177 HydrophobicContact CE1-CB 4.39Å; F152-L177 HydrophobicContact CE1-CD2 3.66Å; F152-E180 HydrophobicContact CZ-CB 4.22Å; F152-A182 HydrophobicContact CD1-CB 3.76Å; F152-A182 HydrophobicContact CE1-CB 3.64Å
153G77.5Confident92.7Very high3 Ų350.1 Ų50.13%0.03123%0.234CC..  trans-48.6147.1-169.800000114.9Y151 P161Y151-G153 VanDerWaalsContact CD1-CA 3.4Å; Y151-G153 VanDerWaalsContact CE1-CA 3.46Å; Y151-G153 PolarHBondContact O-N 3.32Å; G153-P161 WeakPolarHBondContact O-CD 3.04Å
154L87.1Confident92.5Very high62 Ų6246.6 Ų46.633%0.32522%0.218SC..  trans-106.4139-180-55.6-179.9000110.2E159 L186L154-E159 CarbonylContact C-O 3.57Å; L154-E159 WeakPolarHBondContact CA-O 3.18Å; L154-L186 HydrophobicContact CD1-CD2 4.37Å; L154-L186 HydrophobicContact CD2-CD1 4.18Å
155L91.6Very high92.5Very high30 Ų3046.5 Ų46.516%0.15722%0.217CC..  trans-64.7166.1163-61.5-166.9000110.5A127 F131 N157 G158 E159A127-L155 VanDerWaalsContact CA-CD2 3.45Å; A127-L155 HydrophobicContact CB-CD2 3.68Å; A127-L155 VanDerWaalsContact N-CD2 3.35Å; F131-L155 HydrophobicContact CD1-CD2 4.23Å; F131-L155 HydrophobicContact CD2-CD2 4.22Å; F131-L155 HydrophobicContact CD2-CG 4.1Å; F131-L155 HydrophobicContact CE1-CD1 3.88Å; F131-L155 HydrophobicContact CE1-CD2 4.19Å; F131-L155 HydrophobicContact CE1-CG 4.25Å; F131-L155 HydrophobicContact CE2-CD1 3.79Å; F131-L155 HydrophobicContact CE2-CD2 4.18Å; F131-L155 HydrophobicContact CE2-CG 3.65Å; F131-L155 HydrophobicContact CG-CD2 4.26Å; F131-L155 HydrophobicContact CZ-CD1 3.37Å; F131-L155 HydrophobicContact CZ-CD2 4.18Å; F131-L155 HydrophobicContact CZ-CG 3.75Å; L155-N157 WeakPolarHBondContact CB-OD1 3.46Å; L155-N157 PolarHBondContact O-N 2.9Å; L155-N157 VanDerWaalsContact O-N 3.11Å; L155-G158 PolarHBondContact O-N 3.11Å; L155-E159 HydrophobicContact CB-CB 4.23Å; L155-E159 HydrophobicContact CD1-CB 4.12Å; L155-E159 HydrophobicContact CG-CB 4.19Å; L155-E159 PolarHBondContact N-O 2.87Å
156K88.3Confident92.4Very high160 Ų16050.3 Ų50.370%0.69624%0.243SC*.THydrogen-bonded Turntrans-56-28.2175.8-69.6179.7-176.6167.80114.1E124 D125 G158 Q189E124-K156 WeakPolarHBondContact O-CE 3.37Å; E124-K156 PolarHBondContact O-NZ 3.17Å; D125-K156 PolarHBondContact O-N 3.27Å; K156-G158 VanDerWaalsContact C-N 3.29Å; K156-Q189 PolarHBondContact O-NE2 3.04Å
157N88.7Confident92.3Very high41 Ų4155.7 Ų55.722%0.21927%0.271CS..THydrogen-bonded Turntrans-86.75.3176.672.5-10.1000113.4L155 E159 Q189L155-N157 WeakPolarHBondContact CB-OD1 3.46Å; L155-N157 PolarHBondContact O-N 2.9Å; L155-N157 VanDerWaalsContact O-N 3.11Å; N157-E159 VanDerWaalsContact C-N 3.35Å; N157-E159 VanDerWaalsContact ND2-CD 3.29Å; N157-E159 PolarHBondContact ND2-OE1 2.9Å; N157-E159 VanDerWaalsContact OD1-CB 3.3Å; N157-E159 WeakPolarHBondContact OD1-CB 3.43Å; N157-E159 WeakPolarHBondContact OD1-CG 3.24Å; N157-E159 PolarHBondContact OD1-N 3.18Å; N157-Q189 HydrophobicContact CB-CB 4.43Å; N157-Q189 WeakPolarHBondContact O-CB 3.31Å; N157-Q189 WeakPolarHBondContact O-CG 3.21Å; N157-Q189 PolarHBondContact O-N 3.31Å
158G91.6Very high92.3Very high17 Ų1754.2 Ų54.218%0.17526%0.263CS..  trans82.34-178.400000114.9L155 K156 S160L155-G158 PolarHBondContact O-N 3.11Å; K156-G158 VanDerWaalsContact C-N 3.29Å; G158-S160 PolarHBondContact O-N 3.38Å
159E94.1Very high92.4Very high35 Ų3554.5 Ų54.516%0.16428%0.275CS..  trans-66.2133.1173.8-78.9175.2-15500111.7F131 L154 L155 N157 H163 N188F131-E159 HydrophobicContact CE2-CB 4.12Å; L154-E159 CarbonylContact C-O 3.57Å; L154-E159 WeakPolarHBondContact CA-O 3.18Å; L155-E159 HydrophobicContact CB-CB 4.23Å; L155-E159 HydrophobicContact CD1-CB 4.12Å; L155-E159 HydrophobicContact CG-CB 4.19Å; L155-E159 PolarHBondContact N-O 2.87Å; N157-E159 VanDerWaalsContact C-N 3.35Å; N157-E159 VanDerWaalsContact ND2-CD 3.29Å; N157-E159 PolarHBondContact ND2-OE1 2.9Å; N157-E159 VanDerWaalsContact OD1-CB 3.3Å; N157-E159 WeakPolarHBondContact OD1-CB 3.43Å; N157-E159 WeakPolarHBondContact OD1-CG 3.24Å; N157-E159 PolarHBondContact OD1-N 3.18Å; E159-H163 HydrophobicContact CB-CB 4.38Å; E159-H163 HydrophobicContact CG-CB 4.34Å; E159-N188 HydrophobicContact CG-CB 3.95Å; E159-N188 WeakPolarHBondContact CG-ND2 3.41Å
160S95.5Very high92.7Very high4 Ų448.5 Ų48.53%0.02825%0.254CS..  trans-103.9168.7176.872.30000111.1G158 L162 H163 A164G158-S160 PolarHBondContact O-N 3.38Å; S160-L162 PolarHBondContact O-N 3.47Å; S160-L162 PolarHBondContact OG-N 3.06Å; S160-H163 PolarHBondContact N-ND1 3.15Å; S160-H163 WeakPolarHBondContact O-CB 2.98Å; S160-H163 PolarHBondContact O-N 3.43Å; S160-H163 VanDerWaalsContact O-N 3.08Å; S160-H163 PolarHBondContact OG-N 3.42Å; S160-H163 PolarHBondContact OG-ND1 3.13Å; S160-A164 PolarHBondContact O-N 2.87Å; S160-A164 VanDerWaalsContact O-N 3.13Å
161P96.6Very high93Very high0 Ų053.3 Ų53.30%028%0.279CS..Hα-helixtrans-56-32.6172.2-25.435.3000112.3L130 F131 A134 G153 A164 A165 L177L130-P161 HydrophobicContact CD2-CB 4.48Å; L130-P161 HydrophobicContact CD2-CG 4.08Å; L130-P161 HydrophobicContact CG-CB 4.13Å; L130-P161 HydrophobicContact CG-CG 3.99Å; F131-P161 HydrophobicContact CB-CG 4.27Å; F131-P161 HydrophobicContact CD2-CG 4.48Å; A134-P161 HydrophobicContact CB-CB 3.77Å; A134-P161 WeakPolarHBondContact CB-O 3.39Å; G153-P161 WeakPolarHBondContact O-CD 3.04Å; P161-A164 PolarHBondContact O-N 3.45Å; P161-A165 WeakPolarHBondContact O-CB 3.48Å; P161-A165 PolarHBondContact O-N 3.08Å; P161-L177 HydrophobicContact CB-CD1 4.07Å; P161-L177 HydrophobicContact CB-CD2 4.29Å
162L97Very high93.6Very high14 Ų1451.1 Ų51.17%0.07328%0.278CS..Hα-helixtrans-68.2-42.5176.5-178.860.8000111.9S160 A164 A165 C166 A174 L177 I178 A182 V184S160-L162 PolarHBondContact O-N 3.47Å; S160-L162 PolarHBondContact OG-N 3.06Å; L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 2.9Å; L162-A165 PolarHBondContact O-N 2.8Å; L162-C166 WeakPolarHBondContact O-CB 3.37Å; L162-C166 PolarHBondContact O-N 3.24Å; L162-C166 PolarHBondContact O-SG 3.24Å; L162-C166 VanDerWaalsContact O-SG 3.36Å; L162-A174 HydrophobicContact CD1-CB 3.89Å; L162-L177 HydrophobicContact CB-CD1 4.38Å; L162-L177 HydrophobicContact CD1-CB 4.35Å; L162-I178 HydrophobicContact CD1-CD1 4.24Å; L162-I178 HydrophobicContact CD1-CG1 3.98Å; L162-I178 HydrophobicContact CD2-CG1 4.05Å; L162-A182 HydrophobicContact CB-CB 4.22Å; L162-A182 HydrophobicContact CD2-CB 4.06Å; L162-V184 HydrophobicContact CD2-CG1 4.06Å
163H95.8Very high94.1Very high31 Ų3149.1 Ų49.114%0.14427%0.269CS..Hα-helixtrans-56.2-47.2173.1-73.897000111E159 S160 C166 L167 L186 N188E159-H163 HydrophobicContact CB-CB 4.38Å; E159-H163 HydrophobicContact CG-CB 4.34Å; S160-H163 PolarHBondContact N-ND1 3.15Å; S160-H163 WeakPolarHBondContact O-CB 2.98Å; S160-H163 PolarHBondContact O-N 3.43Å; S160-H163 VanDerWaalsContact O-N 3.08Å; S160-H163 PolarHBondContact OG-N 3.42Å; S160-H163 PolarHBondContact OG-ND1 3.13Å; H163-C166 PolarHBondContact O-N 3.24Å; H163-L167 VanDerWaalsContact O-CB 3.27Å; H163-L167 WeakPolarHBondContact O-CB 3.32Å; H163-L167 PolarHBondContact O-N 3.46Å; H163-L186 PolarHBondContact CE1-O 3.33Å; H163-L186 PolarHBondContact NE2-O 2.88Å; H163-N188 PolarHBondContact CD2-ND2 3.42Å
164A95.7Very high95.1Very high1 Ų149.3 Ų49.31%0.00827%0.271CS..Hα-helixtrans-62.6-46.5178.700000111.9F131 H135 S160 P161 L162 C166 L167 F168F131-A164 HydrophobicContact CE1-CB 4.45Å; F131-A164 HydrophobicContact CE2-CB 3.93Å; F131-A164 HydrophobicContact CZ-CB 3.87Å; H135-A164 HydrophobicContact CB-CB 4Å; S160-A164 PolarHBondContact O-N 2.87Å; S160-A164 VanDerWaalsContact O-N 3.13Å; P161-A164 PolarHBondContact O-N 3.45Å; L162-A164 VanDerWaalsContact C-N 3.3Å; L162-A164 PolarHBondContact O-N 2.9Å; A164-C166 VanDerWaalsContact C-N 3.31Å; A164-C166 PolarHBondContact O-N 3.23Å; A164-L167 PolarHBondContact O-N 3.38Å; A164-F168 VanDerWaalsContact O-CD2 3.26Å; A164-F168 WeakPolarHBondContact O-CD2 3.39Å; A164-F168 PolarHBondContact O-N 3.45Å; A164-F168 VanDerWaalsContact O-N 3.16Å
165A97.4Very high95.6Very high0 Ų052.3 Ų52.30%028%0.281CS..Hα-helixtrans-58.4-43.1177.400000112.1A134 P161 L162 G169 H170 V173 A174 L177A134-A165 HydrophobicContact CB-CB 4.48Å; P161-A165 WeakPolarHBondContact O-CB 3.48Å; P161-A165 PolarHBondContact O-N 3.08Å; L162-A165 PolarHBondContact O-N 2.8Å; A165-G169 PolarHBondContact O-N 2.78Å; A165-H170 HydrophobicContact CB-CB 4.39Å; A165-H170 PolarHBondContact O-N 2.9Å; A165-V173 HydrophobicContact CB-CB 4.24Å; A165-V173 HydrophobicContact CB-CG1 3.77Å; A165-A174 HydrophobicContact CB-CB 4.17Å; A165-L177 HydrophobicContact CB-CD1 4.06Å
166C96.5Very high95.9Very high79 Ų7951.2 Ų51.253%0.53428%0.276SS..Hα-helixtrans-68.9-45.3177.8-69.40000112.6L162 H163 A164 F168 G169L162-C166 WeakPolarHBondContact O-CB 3.37Å; L162-C166 PolarHBondContact O-N 3.24Å; L162-C166 PolarHBondContact O-SG 3.24Å; L162-C166 VanDerWaalsContact O-SG 3.36Å; H163-C166 PolarHBondContact O-N 3.24Å; A164-C166 VanDerWaalsContact C-N 3.31Å; A164-C166 PolarHBondContact O-N 3.23Å; C166-F168 VanDerWaalsContact C-N 3.25Å; C166-F168 PolarHBondContact O-N 2.97Å; C166-G169 PolarHBondContact O-N 3.31Å; C166-G169 VanDerWaalsContact O-N 3.14Å
167L95.1Very high96.4Very high121 Ų12143.6 Ų43.663%0.63424%0.242SC*.Hα-helixtrans-58.5-37.9-178.8-179.962.9000112.1H163 A164H163-L167 VanDerWaalsContact O-CB 3.27Å; H163-L167 WeakPolarHBondContact O-CB 3.32Å; H163-L167 PolarHBondContact O-N 3.46Å; A164-L167 PolarHBondContact O-N 3.38Å
168F96.7Very high96.8Very high101 Ų10145.6 Ų45.644%0.44325%0.252SS..THydrogen-bonded Turntrans-977.4-179.2-65.8-74.1000114H135 A164 C166 H170H135-F168 AromaticContact CD2-CE2 3.35Å; H135-F168 WeakPolarHBondContact CD2-CE2 3.09Å; H135-F168 AromaticContact CD2-CZ 3.95Å; H135-F168 AromaticContact CE1-CE2 3.86Å; H135-F168 AromaticContact CE1-CZ 3.88Å; H135-F168 AromaticContact CG-CE2 3.94Å; H135-F168 AromaticContact NE2-CE2 3.36Å; H135-F168 WeakPolarHBondContact NE2-CE2 3.35Å; H135-F168 AromaticContact NE2-CZ 3.43Å; H135-F168 WeakPolarHBondContact NE2-CZ 3.3Å; A164-F168 VanDerWaalsContact O-CD2 3.26Å; A164-F168 WeakPolarHBondContact O-CD2 3.39Å; A164-F168 PolarHBondContact O-N 3.45Å; A164-F168 VanDerWaalsContact O-N 3.16Å; C166-F168 VanDerWaalsContact C-N 3.25Å; C166-F168 PolarHBondContact O-N 2.97Å; F168-H170 WeakPolarHBondContact CB-NE2 3.41Å
169G97.3Very high97.1Very high60 Ų6052.7 Ų52.762%0.61927%0.274SS*.THydrogen-bonded Turntrans77.219.1172.900000115.7A165 C166 L171A165-G169 PolarHBondContact O-N 2.78Å; C166-G169 PolarHBondContact O-N 3.31Å; C166-G169 VanDerWaalsContact O-N 3.14Å; G169-L171 VanDerWaalsContact C-N 3.3Å; G169-L171 PolarHBondContact O-N 2.91Å
170H98.4Very high97.2Very high55 Ų5553.4 Ų53.426%0.25528%0.277SS..  trans-8269.2-177.5-59-48.9000112A134 H135 G137 A165 F168 N172 V173 A174A134-H170 PolarHBondContact O-CD2 2.99Å; A134-H170 VanDerWaalsContact O-CD2 3.29Å; H135-H170 PolarHBondContact O-NE2 3.35Å; G137-H170 VanDerWaalsContact CA-CD2 3.42Å; G137-H170 WeakPolarHBondContact CA-CD2 3.28Å; G137-H170 PolarHBondContact N-CD2 3.48Å; G137-H170 PolarHBondContact N-NE2 3.26Å; A165-H170 HydrophobicContact CB-CB 4.39Å; A165-H170 PolarHBondContact O-N 2.9Å; F168-H170 WeakPolarHBondContact CB-NE2 3.41Å; H170-N172 VanDerWaalsContact C-N 3.33Å; H170-N172 PolarHBondContact O-N 2.86Å; H170-V173 HydrophobicContact CB-CB 3.99Å; H170-V173 HydrophobicContact CB-CG2 4.24Å; H170-V173 WeakPolarHBondContact O-CB 3.34Å; H170-V173 PolarHBondContact O-N 2.88Å; H170-V173 VanDerWaalsContact O-N 3.08Å; H170-A174 PolarHBondContact O-N 3.12Å
171L98.1Very high97.2Very high108 Ų10856.1 Ų56.157%0.56531%0.305SS*.Hα-helixtrans-53.8-43.1-172.6-179.661.3000113.9G169 V173 A174 K175G169-L171 VanDerWaalsContact C-N 3.3Å; G169-L171 PolarHBondContact O-N 2.91Å; L171-V173 VanDerWaalsContact C-N 3.34Å; L171-V173 PolarHBondContact O-N 2.93Å; L171-A174 PolarHBondContact O-N 3.4Å; L171-K175 HydrophobicContact CD1-CD 4.47Å; L171-K175 HydrophobicContact CD1-CG 4.33Å; L171-K175 HydrophobicContact CG-CD 4.32Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 WeakPolarHBondContact O-CG 3.29Å; L171-K175 PolarHBondContact O-N 3.18Å
172N98.5Very high97.1Very high107 Ų10756.6 Ų56.657%0.57231%0.309SS*.Hα-helixtrans-67.1-37.7-178.9-68.7-16.7000111.8F139 H170 L176F139-N172 HydrophobicContact CD2-CB 3.89Å; F139-N172 HydrophobicContact CE2-CB 4.14Å; H170-N172 VanDerWaalsContact C-N 3.33Å; H170-N172 PolarHBondContact O-N 2.86Å; N172-L176 WeakPolarHBondContact O-CB 3.39Å; N172-L176 PolarHBondContact O-N 3.28Å
173V98.7Very high96.9Very high2 Ų259.7 Ų59.71%0.01233%0.326CS..Hα-helixtrans-67.3-44.3174.3172.90000110.7A134 F139 V142 A165 H170 L171 K175 L176 L177A134-V173 HydrophobicContact CB-CG1 4.01Å; F139-V173 HydrophobicContact CB-CG2 4.26Å; F139-V173 HydrophobicContact CD2-CG2 4.37Å; V142-V173 HydrophobicContact CG1-CG1 4.33Å; V142-V173 HydrophobicContact CG2-CG1 4.02Å; A165-V173 HydrophobicContact CB-CB 4.24Å; A165-V173 HydrophobicContact CB-CG1 3.77Å; H170-V173 HydrophobicContact CB-CB 3.99Å; H170-V173 HydrophobicContact CB-CG2 4.24Å; H170-V173 WeakPolarHBondContact O-CB 3.34Å; H170-V173 PolarHBondContact O-N 2.88Å; H170-V173 VanDerWaalsContact O-N 3.08Å; L171-V173 VanDerWaalsContact C-N 3.34Å; L171-V173 PolarHBondContact O-N 2.93Å; V173-K175 PolarHBondContact O-N 3.27Å; V173-L176 PolarHBondContact O-N 2.75Å; V173-L177 HydrophobicContact CG1-CD1 3.86Å; V173-L177 HydrophobicContact CG1-CG 4.26Å; V173-L177 WeakPolarHBondContact O-CG 3.32Å; V173-L177 PolarHBondContact O-N 3.28Å
174A98.3Very high96.7Very high8 Ų862.4 Ų62.47%0.06634%0.344CS..Hα-helixtrans-59.6-46.2176.900000111.5L162 A165 H170 L171 L176 L177 I178L162-A174 HydrophobicContact CD1-CB 3.89Å; A165-A174 HydrophobicContact CB-CB 4.17Å; H170-A174 PolarHBondContact O-N 3.12Å; L171-A174 PolarHBondContact O-N 3.4Å; A174-L176 VanDerWaalsContact C-N 3.32Å; A174-L176 PolarHBondContact O-N 2.9Å; A174-L177 PolarHBondContact O-N 3.05Å; A174-I178 VanDerWaalsContact O-CG1 3.25Å; A174-I178 WeakPolarHBondContact O-CG1 3.37Å; A174-I178 PolarHBondContact O-N 3.47Å
175K98.4Very high96.5Very high125 Ų12568.4 Ų68.454%0.54338%0.377SS..Hα-helixtrans-58.1-43.6174.5-75.7178.2177.8179.70112.2L171 V173 R179L171-K175 HydrophobicContact CD1-CD 4.47Å; L171-K175 HydrophobicContact CD1-CG 4.33Å; L171-K175 HydrophobicContact CG-CD 4.32Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 WeakPolarHBondContact O-CG 3.29Å; L171-K175 PolarHBondContact O-N 3.18Å; V173-K175 PolarHBondContact O-N 3.27Å; K175-R179 WeakPolarHBondContact O-CB 3.34Å; K175-R179 PolarHBondContact O-N 3.29Å
176L98.4Very high96.1Very high7 Ų771 Ų714%0.03739%0.39CS..Hα-helixtrans-64.1-48178.2177.659.1000111.5F139 V142 E143 L146 N172 V173 A174 I178 R179 E180F139-L176 HydrophobicContact CD2-CD2 4.16Å; F139-L176 HydrophobicContact CE2-CB 3.99Å; F139-L176 HydrophobicContact CE2-CD2 3.76Å; F139-L176 HydrophobicContact CE2-CG 4.43Å; F139-L176 HydrophobicContact CZ-CD2 4.01Å; V142-L176 HydrophobicContact CB-CD2 4.37Å; V142-L176 HydrophobicContact CG1-CD2 3.84Å; V142-L176 HydrophobicContact CG1-CG 4.43Å; E143-L176 HydrophobicContact CB-CD2 4.02Å; L146-L176 HydrophobicContact CD1-CD1 4.41Å; L146-L176 HydrophobicContact CD1-CD2 4.13Å; L146-L176 HydrophobicContact CD1-CG 3.83Å; N172-L176 WeakPolarHBondContact O-CB 3.39Å; N172-L176 PolarHBondContact O-N 3.28Å; V173-L176 PolarHBondContact O-N 2.75Å; A174-L176 VanDerWaalsContact C-N 3.32Å; A174-L176 PolarHBondContact O-N 2.9Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 3.22Å; L176-R179 WeakPolarHBondContact O-CB 3.34Å; L176-R179 PolarHBondContact O-N 2.95Å; L176-R179 VanDerWaalsContact O-N 3.17Å; L176-E180 HydrophobicContact CD1-CG 4.09Å; L176-E180 WeakPolarHBondContact O-CG 3.45Å; L176-E180 PolarHBondContact O-N 3.46Å
177L97.8Very high95.5Very high0 Ų076.2 Ų76.20%040%0.398CS..Hα-helixtrans-58.8-43.8177.9-71.6169.7000111.8L130 A134 V142 L146 F152 P161 L162 A165 V173 A174 E180 G181 A182L130-L177 HydrophobicContact CD1-CD2 4.13Å; L130-L177 HydrophobicContact CD2-CD2 4.36Å; L130-L177 HydrophobicContact CG-CD2 4.48Å; A134-L177 HydrophobicContact CB-CD1 4.06Å; V142-L177 HydrophobicContact CG1-CD2 4.15Å; V142-L177 HydrophobicContact CG1-CG 4.45Å; L146-L177 HydrophobicContact CD1-CD2 4.23Å; L146-L177 HydrophobicContact CD2-CD2 4.49Å; F152-L177 HydrophobicContact CD1-CD2 4.18Å; F152-L177 HydrophobicContact CE1-CB 4.39Å; F152-L177 HydrophobicContact CE1-CD2 3.66Å; P161-L177 HydrophobicContact CB-CD1 4.07Å; P161-L177 HydrophobicContact CB-CD2 4.29Å; L162-L177 HydrophobicContact CB-CD1 4.38Å; L162-L177 HydrophobicContact CD1-CB 4.35Å; A165-L177 HydrophobicContact CB-CD1 4.06Å; V173-L177 HydrophobicContact CG1-CD1 3.86Å; V173-L177 HydrophobicContact CG1-CG 4.26Å; V173-L177 WeakPolarHBondContact O-CG 3.32Å; V173-L177 PolarHBondContact O-N 3.28Å; A174-L177 PolarHBondContact O-N 3.05Å; L177-E180 CarbonylContact O-C 3.56Å; L177-E180 PolarHBondContact O-N 2.99Å; L177-G181 PolarHBondContact O-N 2.85Å; L177-A182 HydrophobicContact CB-CB 3.96Å; L177-A182 WeakPolarHBondContact O-CB 3.4Å; L177-A182 PolarHBondContact O-N 3.08Å
178I97.1Very high95Very high83 Ų8371 Ų7143%0.42637%0.371SS..Hα-helixtrans-62.3-44.6176.3-67.2167.7000110.7L162 A174 L176 E180 G181 V184L162-I178 HydrophobicContact CD1-CD1 4.24Å; L162-I178 HydrophobicContact CD1-CG1 3.98Å; L162-I178 HydrophobicContact CD2-CG1 4.05Å; A174-I178 VanDerWaalsContact O-CG1 3.25Å; A174-I178 WeakPolarHBondContact O-CG1 3.37Å; A174-I178 PolarHBondContact O-N 3.47Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 3.22Å; I178-E180 VanDerWaalsContact C-N 3.26Å; I178-E180 PolarHBondContact O-N 3.42Å; I178-G181 PolarHBondContact O-N 3.41Å; I178-G181 VanDerWaalsContact O-N 3.12Å; I178-V184 HydrophobicContact CD1-CG1 4Å; I178-V184 HydrophobicContact CG1-CG1 3.76Å; I178-V184 HydrophobicContact CG2-CG1 4.25Å
179R97.4Very high94.3Very high166 Ų16672.5 Ų72.563%0.62638%0.379SS*.Hα-helixtrans-59.9-37.5177.7-170.4-173.475.4-171.12112K175 L176 G181K175-R179 WeakPolarHBondContact O-CB 3.34Å; K175-R179 PolarHBondContact O-N 3.29Å; L176-R179 WeakPolarHBondContact O-CB 3.34Å; L176-R179 PolarHBondContact O-N 2.95Å; L176-R179 VanDerWaalsContact O-N 3.17Å; R179-G181 VanDerWaalsContact C-N 3.3Å
180E96.9Very high92.8Very high50 Ų5074.1 Ų74.123%0.23438%0.377CS..THydrogen-bonded Turntrans-87.68.7179.3-60.7-54.9142.700113.9L146 R149 F152 L176 L177 I178L146-E180 HydrophobicContact CB-CG 4.26Å; L146-E180 HydrophobicContact CD1-CB 4.11Å; L146-E180 HydrophobicContact CD1-CG 3.81Å; L146-E180 HydrophobicContact CD2-CB 4.17Å; L146-E180 HydrophobicContact CG-CG 4.43Å; R149-E180 IonicContact CZ-OE2 3.12Å; R149-E180 IonicContact NH1-OE2 2.68Å; R149-E180 PolarHBondContact NH1-OE2 3.4Å; F152-E180 HydrophobicContact CZ-CB 4.22Å; L176-E180 HydrophobicContact CD1-CG 4.09Å; L176-E180 WeakPolarHBondContact O-CG 3.45Å; L176-E180 PolarHBondContact O-N 3.46Å; L177-E180 CarbonylContact O-C 3.56Å; L177-E180 PolarHBondContact O-N 2.99Å; I178-E180 VanDerWaalsContact C-N 3.26Å; I178-E180 PolarHBondContact O-N 3.42Å
181G94.6Very high90.8Very high60 Ų6076.3 Ų76.362%0.61939%0.39SS*.THydrogen-bonded Turntrans101.317.1168.600000116.4L177 I178 R179 D183L177-G181 PolarHBondContact O-N 2.85Å; I178-G181 PolarHBondContact O-N 3.41Å; I178-G181 VanDerWaalsContact O-N 3.12Å; R179-G181 VanDerWaalsContact C-N 3.3Å; G181-D183 PolarHBondContact O-N 3Å
182A94.5Very high88.2Confident10 Ų1076.3 Ų76.38%0.08339%0.39CS..  trans-60.5130170.200000111.2F152 L162 L177 V184F152-A182 HydrophobicContact CD1-CB 3.76Å; F152-A182 HydrophobicContact CE1-CB 3.64Å; L162-A182 HydrophobicContact CB-CB 4.22Å; L162-A182 HydrophobicContact CD2-CB 4.06Å; L177-A182 HydrophobicContact CB-CB 3.96Å; L177-A182 WeakPolarHBondContact O-CB 3.4Å; L177-A182 PolarHBondContact O-N 3.08Å; A182-V184 PolarHBondContact O-N 2.85Å
183D93Very high85.1Confident79 Ų7977.2 Ų77.242%0.42240%0.4SS..  trans-71.6113.2175.9-179.14.8000110.8G181 N185 L186G181-D183 PolarHBondContact O-N 3Å; D183-N185 PolarHBondContact O-N 3.47Å; D183-N185 WeakPolarHBondContact OD1-CB 3.19Å; D183-N185 PolarHBondContact OD1-N 3.3Å; D183-L186 HydrophobicContact CB-CD1 3.83Å; D183-L186 HydrophobicContact CB-CG 3.82Å
184V93Very high82Confident88 Ų8887 Ų8753%0.53346%0.459SS..THydrogen-bonded Turntrans-72.1-15.2179.3-62.90000113.5L162 I178 A182L162-V184 HydrophobicContact CD2-CG1 4.06Å; I178-V184 HydrophobicContact CD1-CG1 4Å; I178-V184 HydrophobicContact CG1-CG1 3.76Å; I178-V184 HydrophobicContact CG2-CG1 4.25Å; A182-V184 PolarHBondContact O-N 2.85Å
185N91Very high81.2Confident128 Ų12891 Ų9168%0.68448%0.479SS*.THydrogen-bonded Turntrans-101.42.1-178-58.7-59.4000113.1D183 R187D183-N185 PolarHBondContact O-N 3.47Å; D183-N185 WeakPolarHBondContact OD1-CB 3.19Å; D183-N185 PolarHBondContact OD1-N 3.3Å; N185-R187 PolarHBondContact O-N 3.25Å
186L88.4Confident80.3Confident53 Ų5389.2 Ų89.228%0.27748%0.475SS..PPolyproline II helixtrans-56.2128.5173.8-86.6164.9000109.8L154 H163 D183L154-L186 HydrophobicContact CD1-CD2 4.37Å; L154-L186 HydrophobicContact CD2-CD1 4.18Å; H163-L186 PolarHBondContact CE1-O 3.33Å; H163-L186 PolarHBondContact NE2-O 2.88Å; D183-L186 HydrophobicContact CB-CD1 3.83Å; D183-L186 HydrophobicContact CB-CG 3.82Å
187R84.9Confident79.3Confident190 Ų19093.8 Ų93.872%0.71750%0.5SS*.PPolyproline II helixtrans-100.5132.2174.1-63.6-175.8-178.5173.1-1.6109.6N185N185-R187 PolarHBondContact O-N 3.25Å
188N84.5Confident78.2Confident12 Ų1299.3 Ų99.36%0.06453%0.529CS..PPolyproline II helixtrans-94.4170.1164.568.38.2000110.1E159 H163 V190 I191E159-N188 HydrophobicContact CG-CB 3.95Å; E159-N188 WeakPolarHBondContact CG-ND2 3.41Å; H163-N188 PolarHBondContact CD2-ND2 3.42Å; N188-V190 PolarHBondContact O-N 3.14Å; N188-V190 WeakPolarHBondContact OD1-CA 3.48Å; N188-V190 WeakPolarHBondContact OD1-CB 3.4Å; N188-V190 PolarHBondContact OD1-N 3.16Å; N188-V190 VanDerWaalsContact OD1-N 3.12Å; N188-I191 PolarHBondContact O-N 3.2Å; N188-I191 WeakPolarHBondContact OD1-CG1 3.48Å; N188-I191 PolarHBondContact OD1-N 2.81Å
189Q80.8Confident77Confident131 Ų131100.3 Ų100.361%0.61254%0.536SS*.THydrogen-bonded Turntrans-65.7-14.9176.7-68.4171.37.700112.9K156 N157K156-Q189 PolarHBondContact O-NE2 3.04Å; N157-Q189 HydrophobicContact CB-CB 4.43Å; N157-Q189 WeakPolarHBondContact O-CB 3.31Å; N157-Q189 WeakPolarHBondContact O-CG 3.21Å; N157-Q189 PolarHBondContact O-N 3.31Å
190V66.8Low75.6Confident95 Ų9595.9 Ų95.958%0.57653%0.529SS*.THydrogen-bonded Turntrans-75.6-31.7178.1-168.40000111.3N188N188-V190 PolarHBondContact O-N 3.14Å; N188-V190 WeakPolarHBondContact OD1-CA 3.48Å; N188-V190 WeakPolarHBondContact OD1-CB 3.4Å; N188-V190 PolarHBondContact OD1-N 3.16Å; N188-V190 VanDerWaalsContact OD1-N 3.12Å
191I56.6Low74.1Confident100 Ų10099.2 Ų99.251%0.51355%0.551SS.*SBendtrans-915.4-179.9-58.7164.3000112.2N188 V193N188-I191 PolarHBondContact O-N 3.2Å; N188-I191 WeakPolarHBondContact OD1-CG1 3.48Å; N188-I191 PolarHBondContact OD1-N 2.81Å; I191-V193 PolarHBondContact O-N 3.33Å
192N43.5Very low72.5Confident109 Ų109102.2 Ų102.258%0.58355%0.545SS*.  trans-73.120.1175.8-85.3-18.4000115V194N192-V194 PolarHBondContact O-N 3.36Å
193V33.6Very low70.7Confident126 Ų126109.9 Ų109.976%0.76458%0.584SS**  trans-95.185.2165.2-160.40000107.7I191I191-V193 PolarHBondContact O-N 3.33Å
194V32.5Very low68.7Low208 Ų208112.7 Ų112.7100%1.26160%0.599SS**  trans23.70153.5-115.50000118.2N192N192-V194 PolarHBondContact O-N 3.36Å

Retrieved 194 of 194 residues in 636.3 ms (Link to these results)

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