A0A2K5YID0_MANLE Loading...

Prepronociceptin

AlphaFold DB , UniProt , Accession A0A2K5YID0, Species MANLE (Mandrillus leucophaeus, Drill), Gene PNOC, Length 176 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
1M61.1Low74.6Confident202 Ų202114.6 Ų114.6100%0.99560%0.604SS**  0-400-60.8-152.1-72.800113.5V3 V5M1-V3 PolarHBondContact O-N 2.97Å; M1-V5 WeakPolarHBondContact O-CG2 3.5Å; M1-V5 PolarHBondContact O-N 2.94Å
2K70.2Confident73.9Confident185 Ų185110.7 Ų110.780%0.80459%0.593SS**Hα-helixtrans-64.2-38-179.1-67.9159.8178.6167.20114.1V5 C6K2-V5 PolarHBondContact O-N 3.32Å; K2-C6 PolarHBondContact O-N 2.91Å; K2-C6 PolarHBondContact O-SG 3.47Å
3V75.6Confident72.9Confident105 Ų105110.8 Ų110.864%0.63659%0.593SS**Hα-helixtrans-62.5-47.6179.7-173.60000111.8M1 V5 C6 D7M1-V3 PolarHBondContact O-N 2.97Å; V3-V5 VanDerWaalsContact C-N 3.28Å; V3-V5 PolarHBondContact O-N 3.45Å; V3-C6 WeakPolarHBondContact O-CB 3.39Å; V3-C6 PolarHBondContact O-N 2.97Å; V3-C6 VanDerWaalsContact O-N 3.12Å; V3-D7 VanDerWaalsContact O-CG 3.29Å; V3-D7 PolarHBondContact O-N 3.48Å
4L79.7Confident72Confident117 Ų117110.6 Ų110.661%0.61358%0.584SS**Hα-helixtrans-63.1-34177.8-57.7177.4000112.7D7 L8L4-D7 PolarHBondContact O-N 2.97Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CD1 3.34Å; L4-L8 PolarHBondContact O-N 3.36Å
5V79.7Confident70.9Confident84 Ų84108.4 Ų108.451%0.50958%0.581SS.*Hα-helixtrans-69.1-41.3175.7173.60000110.6M1 K2 V3 L8 L9M1-V5 WeakPolarHBondContact O-CG2 3.5Å; M1-V5 PolarHBondContact O-N 2.94Å; K2-V5 PolarHBondContact O-N 3.32Å; V3-V5 VanDerWaalsContact C-N 3.28Å; V3-V5 PolarHBondContact O-N 3.45Å; V5-L8 PolarHBondContact O-N 2.96Å; V5-L9 HydrophobicContact CG1-CD1 3.96Å; V5-L9 HydrophobicContact CG1-CG 4.46Å; V5-L9 WeakPolarHBondContact O-CB 3.43Å; V5-L9 WeakPolarHBondContact O-CG 3.46Å; V5-L9 PolarHBondContact O-N 3.34Å
6C79.1Confident70.1Confident70 Ų70105.6 Ų105.647%0.47357%0.573SS.*Hα-helixtrans-62.4-44.4173.3-66.60000111.6K2 V3 L8 L9 L10K2-C6 PolarHBondContact O-N 2.91Å; K2-C6 PolarHBondContact O-SG 3.47Å; V3-C6 WeakPolarHBondContact O-CB 3.39Å; V3-C6 PolarHBondContact O-N 2.97Å; V3-C6 VanDerWaalsContact O-N 3.12Å; C6-L8 PolarHBondContact O-N 3.31Å; C6-L9 PolarHBondContact O-N 3.42Å; C6-L10 WeakPolarHBondContact O-CB 3.49Å; C6-L10 VanDerWaalsContact O-CG 3.26Å; C6-L10 WeakPolarHBondContact O-CG 3.32Å; C6-L10 PolarHBondContact O-N 3.33Å
7D76.6Confident69.5Low74 Ų74104.5 Ų104.540%0.39657%0.57SS.*Hα-helixtrans-62.7-43.6178-64.3-33.8000111.9V3 L4 L9 L10 L11V3-D7 VanDerWaalsContact O-CG 3.29Å; V3-D7 PolarHBondContact O-N 3.48Å; L4-D7 PolarHBondContact O-N 2.97Å; D7-L9 PolarHBondContact O-N 3.21Å; D7-L10 PolarHBondContact O-N 3.44Å; D7-L11 WeakPolarHBondContact O-CB 3.36Å; D7-L11 VanDerWaalsContact O-CG 3.23Å; D7-L11 WeakPolarHBondContact O-CG 3.4Å; D7-L11 PolarHBondContact O-N 2.96Å
8L77.4Confident69Low122 Ų122102.6 Ų102.664%0.63956%0.555SS**Hα-helixtrans-64.1-38.9175.1-95.7106.1000112.8L4 V5 C6 S12L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CD1 3.34Å; L4-L8 PolarHBondContact O-N 3.36Å; V5-L8 PolarHBondContact O-N 2.96Å; C6-L8 PolarHBondContact O-N 3.31Å; L8-S12 WeakPolarHBondContact O-CB 3.44Å; L8-S12 PolarHBondContact O-N 3.43Å
9L77.6Confident68.4Low102 Ų10299.3 Ų99.353%0.53454%0.541SS..Hα-helixtrans-67.7-42177.6-73.4170.5000111.3V5 C6 D7 S12 L13V5-L9 HydrophobicContact CG1-CD1 3.96Å; V5-L9 HydrophobicContact CG1-CG 4.46Å; V5-L9 WeakPolarHBondContact O-CB 3.43Å; V5-L9 WeakPolarHBondContact O-CG 3.46Å; V5-L9 PolarHBondContact O-N 3.34Å; C6-L9 PolarHBondContact O-N 3.42Å; D7-L9 PolarHBondContact O-N 3.21Å; L9-S12 PolarHBondContact O-N 2.97Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.04Å
10L76.4Confident68.4Low86 Ų8696.8 Ų96.845%0.4553%0.531SS..Hα-helixtrans-59.7-52173.8-72.6172000110.2C6 D7 S12 L13 F14C6-L10 WeakPolarHBondContact O-CB 3.49Å; C6-L10 VanDerWaalsContact O-CG 3.26Å; C6-L10 WeakPolarHBondContact O-CG 3.32Å; C6-L10 PolarHBondContact O-N 3.33Å; D7-L10 PolarHBondContact O-N 3.44Å; L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.3Å; L10-L13 PolarHBondContact O-N 3.03Å; L10-L13 VanDerWaalsContact O-N 3.11Å; L10-F14 VanDerWaalsContact C-CD2 3.45Å; L10-F14 HydrophobicContact CB-CD2 4.19Å; L10-F14 HydrophobicContact CB-CE2 3.98Å; L10-F14 HydrophobicContact CD2-CE2 4.28Å; L10-F14 WeakPolarHBondContact O-CB 3.19Å; L10-F14 WeakPolarHBondContact O-CD2 3.46Å; L10-F14 WeakPolarHBondContact O-CG 3.42Å; L10-F14 PolarHBondContact O-N 3.42Å
11L67.8Low68.8Low114 Ų11492.4 Ų92.460%0.59751%0.507SS*.Hα-helixtrans-58.6-36.6178.1-70.7169.9000113.1D7 S15D7-L11 WeakPolarHBondContact O-CB 3.36Å; D7-L11 VanDerWaalsContact O-CG 3.23Å; D7-L11 WeakPolarHBondContact O-CG 3.4Å; D7-L11 PolarHBondContact O-N 2.96Å; L11-S15 VanDerWaalsContact O-CB 3.28Å; L11-S15 WeakPolarHBondContact O-CB 3.36Å; L11-S15 PolarHBondContact O-N 2.95Å; L11-S15 PolarHBondContact O-OG 2.97Å
12S65.7Low69.5Low67 Ų6787.2 Ų87.247%0.46948%0.481SS..Hα-helixtrans-67.9-40.8175.5-176.40000112.5L8 L9 L10 S16L8-S12 WeakPolarHBondContact O-CB 3.44Å; L8-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-N 2.97Å; L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.3Å; S12-S16 WeakPolarHBondContact O-CB 3.2Å; S12-S16 PolarHBondContact O-N 2.95Å; S12-S16 PolarHBondContact O-OG 3.46Å
13L61.5Low69.8Low113 Ų11385.9 Ų85.959%0.59247%0.471SS*.Hα-helixtrans-70-44.2178.2-70.2169.5000110.9L9 L10 S16 V17L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 3.03Å; L10-L13 VanDerWaalsContact O-N 3.11Å; L13-S16 PolarHBondContact O-N 2.79Å; L13-V17 WeakPolarHBondContact O-CG2 3.45Å; L13-V17 PolarHBondContact O-N 3.32Å
14F59.3Low69.8Low108 Ų10883.7 Ų83.747%0.47446%0.455SS..Hα-helixtrans-56.1-53.8171.7-74.3-64.2000109.9L10 S16 V17 F18L10-F14 VanDerWaalsContact C-CD2 3.45Å; L10-F14 HydrophobicContact CB-CD2 4.19Å; L10-F14 HydrophobicContact CB-CE2 3.98Å; L10-F14 HydrophobicContact CD2-CE2 4.28Å; L10-F14 WeakPolarHBondContact O-CB 3.19Å; L10-F14 WeakPolarHBondContact O-CD2 3.46Å; L10-F14 WeakPolarHBondContact O-CG 3.42Å; L10-F14 PolarHBondContact O-N 3.42Å; F14-S16 PolarHBondContact O-N 2.91Å; F14-S16 VanDerWaalsContact O-N 3.1Å; F14-V17 PolarHBondContact O-N 3.46Å; F14-V17 VanDerWaalsContact O-N 3.08Å; F14-F18 HydrophobicContact CB-CD2 4.08Å; F14-F18 HydrophobicContact CB-CE2 4.19Å; F14-F18 HydrophobicContact CD1-CE2 4.41Å; F14-F18 WeakPolarHBondContact O-CB 3.47Å; F14-F18 WeakPolarHBondContact O-CD2 3.39Å; F14-F18 PolarHBondContact O-N 3.02Å
15S56.6Low69.8Low77 Ų7778.1 Ų78.154%0.53843%0.426SS..Hα-helixtrans-55.7-34.5178.7-590000113.2L11 S19L11-S15 VanDerWaalsContact O-CB 3.28Å; L11-S15 WeakPolarHBondContact O-CB 3.36Å; L11-S15 PolarHBondContact O-N 2.95Å; L11-S15 PolarHBondContact O-OG 2.97Å; S15-S19 WeakPolarHBondContact O-CB 3.4Å; S15-S19 PolarHBondContact O-N 2.99Å
16S58.2Low69.7Low64 Ų6477.5 Ų77.545%0.44842%0.42SS..Hα-helixtrans-71.3-43.8178.7-57.80000111.9S12 L13 F14 S19 S20S12-S16 WeakPolarHBondContact O-CB 3.2Å; S12-S16 PolarHBondContact O-N 2.95Å; S12-S16 PolarHBondContact O-OG 3.46Å; L13-S16 PolarHBondContact O-N 2.79Å; F14-S16 PolarHBondContact O-N 2.91Å; F14-S16 VanDerWaalsContact O-N 3.1Å; S16-S19 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-OG 2.92Å; S16-S20 PolarHBondContact O-N 2.88Å; S16-S20 PolarHBondContact O-OG 3.37Å
17V60Low69.7Low86 Ų8677.5 Ų77.552%0.52142%0.418SS..Hα-helixtrans-70.4-43.5178.1177.20000111.4L13 F14 S19 S20 C21L13-V17 WeakPolarHBondContact O-CG2 3.45Å; L13-V17 PolarHBondContact O-N 3.32Å; F14-V17 PolarHBondContact O-N 3.46Å; F14-V17 VanDerWaalsContact O-N 3.08Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 3.38Å; V17-S20 PolarHBondContact O-N 3.46Å; V17-S20 PolarHBondContact O-OG 3.41Å; V17-C21 WeakPolarHBondContact O-CB 3.33Å; V17-C21 PolarHBondContact O-N 3.37Å; V17-C21 VanDerWaalsContact O-N 3.12Å
18F59.4Low69.7Low70 Ų7074 Ų7431%0.30740%0.399SS..Hα-helixtrans-58.6-41.9171.5-87.2-78.6000111.2F14 S20 C21 Q22 I45 E49F14-F18 HydrophobicContact CB-CD2 4.08Å; F14-F18 HydrophobicContact CB-CE2 4.19Å; F14-F18 HydrophobicContact CD1-CE2 4.41Å; F14-F18 WeakPolarHBondContact O-CB 3.47Å; F14-F18 WeakPolarHBondContact O-CD2 3.39Å; F14-F18 PolarHBondContact O-N 3.02Å; F18-S20 VanDerWaalsContact C-N 3.33Å; F18-S20 PolarHBondContact O-N 2.99Å; F18-C21 PolarHBondContact O-N 2.96Å; F18-Q22 WeakPolarHBondContact O-CB 3.43Å; F18-Q22 PolarHBondContact O-N 3Å; F18-I45 HydrophobicContact CD1-CG2 3.95Å; F18-I45 HydrophobicContact CE1-CG2 3.99Å; F18-E49 HydrophobicContact CD1-CG 4.25Å; F18-E49 WeakPolarHBondContact CD2-OE1 3.23Å; F18-E49 HydrophobicContact CE1-CG 3.93Å; F18-E49 WeakPolarHBondContact CE1-OE1 3.19Å; F18-E49 WeakPolarHBondContact CE1-OE2 3.26Å; F18-E49 WeakPolarHBondContact CE2-OE1 3.31Å; F18-E49 HydrophobicContact CZ-CG 4.3Å; F18-E49 WeakPolarHBondContact CZ-OE1 3.46Å; F18-E49 WeakPolarHBondContact CZ-OE2 3.37Å
19S57.9Low69.7Low41 Ų4171.5 Ų71.529%0.28738%0.384SS..Hα-helixtrans-65.5-33-178.779.90000113.5S15 S16 V17 R23S15-S19 WeakPolarHBondContact O-CB 3.4Å; S15-S19 PolarHBondContact O-N 2.99Å; S16-S19 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-OG 2.92Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 3.38Å; S19-R23 WeakPolarHBondContact O-CB 3.45Å; S19-R23 VanDerWaalsContact O-CG 3.26Å; S19-R23 WeakPolarHBondContact O-CG 3.47Å; S19-R23 PolarHBondContact O-N 3.45Å; S19-R23 PolarHBondContact O-NE 3.48Å; S19-R23 PolarHBondContact OG-NH2 3.49Å
20S68.9Low69.7Low49 Ų4971.7 Ų71.734%0.34338%0.382SS..Hα-helixtrans-70.4-49.5173.536.30000110.4S16 V17 F18 Q22 R23 D24S16-S20 PolarHBondContact O-N 2.88Å; S16-S20 PolarHBondContact O-OG 3.37Å; V17-S20 PolarHBondContact O-N 3.46Å; V17-S20 PolarHBondContact O-OG 3.41Å; F18-S20 VanDerWaalsContact C-N 3.33Å; F18-S20 PolarHBondContact O-N 2.99Å; S20-Q22 PolarHBondContact O-N 3.44Å; S20-R23 PolarHBondContact O-N 3.15Å; S20-D24 WeakPolarHBondContact O-CB 3.24Å; S20-D24 PolarHBondContact O-N 3.5Å
21C75.3Confident69.6Low5 Ų574.1 Ų74.13%0.03439%0.389CS..Hα-helixtrans-63.4-43.1-178.1-178.90000113V17 F18 D24 C25 C48V17-C21 WeakPolarHBondContact O-CB 3.33Å; V17-C21 PolarHBondContact O-N 3.37Å; V17-C21 VanDerWaalsContact O-N 3.12Å; F18-C21 PolarHBondContact O-N 2.96Å; C21-D24 PolarHBondContact O-N 2.9Å; C21-C25 WeakPolarHBondContact O-CB 3.46Å; C21-C25 PolarHBondContact O-N 3.28Å; C21-C25 PolarHBondContact O-SG 3.22Å; C21-C48 VanDerWaalsContact CA-SG 3.58Å; C21-C48 HydrophobicContact CB-CB 4.37Å; C21-C48 WeakPolarHBondContact CB-SG 3.35Å; C21-C48 WeakPolarHBondContact SG-CB 3.12Å; C21-C48 CovalentContact SG-SG 2.02Å; C21-C48 PolarHBondContact SG-SG 2.85Å
22Q77.6Confident69.8Low93 Ų9369.8 Ų69.844%0.43537%0.367SS..Hα-helixtrans-62.9-42.7176.1-175.9-178.28.300111.5F18 S20 D24 L26 I45F18-Q22 WeakPolarHBondContact O-CB 3.43Å; F18-Q22 PolarHBondContact O-N 3Å; S20-Q22 PolarHBondContact O-N 3.44Å; Q22-D24 VanDerWaalsContact C-N 3.35Å; Q22-L26 HydrophobicContact CG-CD1 4.26Å; Q22-L26 WeakPolarHBondContact O-CB 3.43Å; Q22-L26 VanDerWaalsContact O-CG 3.23Å; Q22-L26 WeakPolarHBondContact O-CG 3.48Å; Q22-L26 PolarHBondContact O-N 3.43Å; Q22-I45 HydrophobicContact CG-CD1 4.25Å
23R76.2Confident69.6Low156 Ų15674.3 Ų74.359%0.58937%0.373SS*.Hα-helixtrans-65.7-38.9175.8-79.9-177.2-75.4164.8-6.8111.8S19 S20 T27S19-R23 WeakPolarHBondContact O-CB 3.45Å; S19-R23 VanDerWaalsContact O-CG 3.26Å; S19-R23 WeakPolarHBondContact O-CG 3.47Å; S19-R23 PolarHBondContact O-N 3.45Å; S19-R23 PolarHBondContact O-NE 3.48Å; S19-R23 PolarHBondContact OG-NH2 3.49Å; S20-R23 PolarHBondContact O-N 3.15Å; R23-T27 WeakPolarHBondContact O-CB 3.43Å; R23-T27 PolarHBondContact O-N 3.47Å; R23-T27 PolarHBondContact O-OG1 3Å
24D75.9Confident69.4Low59 Ų5974.8 Ų74.832%0.31638%0.383SS..Hα-helixtrans-67.6-46177.8-67.8-24.3000111.5S20 C21 Q22 L26 T27 C28 M65S20-D24 WeakPolarHBondContact O-CB 3.24Å; S20-D24 PolarHBondContact O-N 3.5Å; C21-D24 PolarHBondContact O-N 2.9Å; Q22-D24 VanDerWaalsContact C-N 3.35Å; D24-L26 PolarHBondContact O-N 3.4Å; D24-T27 PolarHBondContact O-N 3.39Å; D24-C28 WeakPolarHBondContact O-CB 3.2Å; D24-C28 PolarHBondContact O-N 3.16Å; D24-M65 HydrophobicContact CB-CE 3.69Å; D24-M65 HydrophobicContact CB-SD 4.1Å
25C78.2Confident69.3Low0 Ų073.6 Ų73.60%039%0.393CS..Hα-helixtrans-62.1-38.4175.1-76.90000113C21 C28 Q29 L41 C44C21-C25 WeakPolarHBondContact O-CB 3.46Å; C21-C25 PolarHBondContact O-N 3.28Å; C21-C25 PolarHBondContact O-SG 3.22Å; C25-C28 WeakPolarHBondContact O-CB 3.23Å; C25-C28 PolarHBondContact O-N 2.72Å; C25-Q29 WeakPolarHBondContact O-CB 3.43Å; C25-Q29 PolarHBondContact O-N 3.48Å; C25-L41 HydrophobicContact CB-CD1 3.81Å; C25-C44 HydrophobicContact CB-CB 3.86Å; C25-C44 WeakPolarHBondContact CB-SG 3.37Å; C25-C44 WeakPolarHBondContact SG-CB 3.5Å; C25-C44 PolarHBondContact SG-O 3.2Å; C25-C44 CovalentContact SG-SG 2.05Å; C25-C44 PolarHBondContact SG-SG 3.46Å
26L78Confident69.2Low72 Ų7273.5 Ų73.538%0.37739%0.386SS..Hα-helixtrans-68.2-42.7174.6-75.5171.4000112.2Q22 D24 C28 Q29 E30 L41Q22-L26 HydrophobicContact CG-CD1 4.26Å; Q22-L26 WeakPolarHBondContact O-CB 3.43Å; Q22-L26 VanDerWaalsContact O-CG 3.23Å; Q22-L26 WeakPolarHBondContact O-CG 3.48Å; Q22-L26 PolarHBondContact O-N 3.43Å; D24-L26 PolarHBondContact O-N 3.4Å; L26-C28 PolarHBondContact O-N 3.48Å; L26-Q29 PolarHBondContact O-N 3.26Å; L26-E30 PolarHBondContact O-N 3.15Å; L26-L41 HydrophobicContact CD2-CD1 3.84Å; L26-L41 HydrophobicContact CD2-CD2 3.61Å; L26-L41 HydrophobicContact CD2-CG 4.4Å; L26-L41 HydrophobicContact CG-CD1 4.06Å; L26-L41 HydrophobicContact CG-CD2 4.37Å
27T78.8Confident69Low70 Ų7079.4 Ų79.443%0.42941%0.413SS..Hα-helixtrans-61.9-39176.1-56.60000110.4R23 D24 E30 K31R23-T27 WeakPolarHBondContact O-CB 3.43Å; R23-T27 PolarHBondContact O-N 3.47Å; R23-T27 PolarHBondContact O-OG1 3Å; D24-T27 PolarHBondContact O-N 3.39Å; T27-E30 PolarHBondContact O-N 3.47Å; T27-K31 VanDerWaalsContact O-CG 3.28Å; T27-K31 WeakPolarHBondContact O-CG 3.28Å; T27-K31 PolarHBondContact O-N 3.14Å; T27-K31 VanDerWaalsContact O-N 3.1Å
28C77.5Confident69.3Low1 Ų178.5 Ų78.51%0.00741%0.41CS..Hα-helixtrans-66.4-46.4176.2-172.90000112.9D24 C25 L26 E30 K31 L32 C61D24-C28 WeakPolarHBondContact O-CB 3.2Å; D24-C28 PolarHBondContact O-N 3.16Å; C25-C28 WeakPolarHBondContact O-CB 3.23Å; C25-C28 PolarHBondContact O-N 2.72Å; L26-C28 PolarHBondContact O-N 3.48Å; C28-E30 PolarHBondContact O-N 3.37Å; C28-K31 CarbonylContact O-C 3.6Å; C28-K31 PolarHBondContact O-N 3.04Å; C28-L32 WeakPolarHBondContact O-CD1 3.41Å; C28-L32 PolarHBondContact O-N 3.38Å; C28-C61 HydrophobicContact CB-CB 4.32Å; C28-C61 WeakPolarHBondContact CB-SG 3.45Å; C28-C61 WeakPolarHBondContact SG-CA 3.27Å; C28-C61 WeakPolarHBondContact SG-CB 3.23Å; C28-C61 CovalentContact SG-SG 2.01Å; C28-C61 PolarHBondContact SG-SG 3.35Å
29Q76.8Confident69.8Low69 Ų6976.4 Ų76.432%0.32240%0.401SS..Hα-helixtrans-55.4-41.8173.7-173.3-176.849.200111.7C25 L26 K31 L32 R33 F39C25-Q29 WeakPolarHBondContact O-CB 3.43Å; C25-Q29 PolarHBondContact O-N 3.48Å; L26-Q29 PolarHBondContact O-N 3.26Å; Q29-K31 VanDerWaalsContact C-N 3.34Å; Q29-K31 PolarHBondContact O-N 2.96Å; Q29-L32 PolarHBondContact O-N 3.47Å; Q29-R33 PolarHBondContact O-N 3.47Å; Q29-F39 HydrophobicContact CB-CD1 3.81Å; Q29-F39 HydrophobicContact CB-CE1 3.64Å; Q29-F39 HydrophobicContact CB-CZ 4.48Å; Q29-F39 HydrophobicContact CG-CD1 3.67Å; Q29-F39 HydrophobicContact CG-CE1 4.02Å
30E76.9Confident70.6Confident106 Ų10679.2 Ų79.250%0.49541%0.413SS..Hα-helixtrans-64.4-37.3176.2172.6147.6-123.200113L26 T27 C28 R33L26-E30 PolarHBondContact O-N 3.15Å; T27-E30 PolarHBondContact O-N 3.47Å; C28-E30 PolarHBondContact O-N 3.37Å; E30-R33 VanDerWaalsContact CB-NH2 3.32Å; E30-R33 VanDerWaalsContact O-CB 3.25Å; E30-R33 WeakPolarHBondContact O-CB 3.44Å; E30-R33 IonicContact OE1-CZ 3.41Å; E30-R33 IonicContact OE1-NH1 2.76Å; E30-R33 PolarHBondContact OE1-NH1 3.44Å; E30-R33 IonicContact OE1-NH2 3.14Å; E30-R33 PolarHBondContact OE1-NH2 3.05Å; E30-R33 VanDerWaalsContact OE1-NH2 3.14Å
31K74.6Confident70.9Confident137 Ų13779.2 Ų79.260%0.59641%0.409SS*.Hα-helixtrans-76.1-28.7176.9-65.4-66.8-179.3-174.40113.2T27 C28 Q29 R33 V64T27-K31 VanDerWaalsContact O-CG 3.28Å; T27-K31 WeakPolarHBondContact O-CG 3.28Å; T27-K31 PolarHBondContact O-N 3.14Å; T27-K31 VanDerWaalsContact O-N 3.1Å; C28-K31 CarbonylContact O-C 3.6Å; C28-K31 PolarHBondContact O-N 3.04Å; Q29-K31 VanDerWaalsContact C-N 3.34Å; Q29-K31 PolarHBondContact O-N 2.96Å; K31-R33 VanDerWaalsContact C-N 3.35Å; K31-V64 HydrophobicContact CB-CG1 3.8Å; K31-V64 HydrophobicContact CG-CG1 4.19Å
32L71.8Confident71Confident23 Ų2386.3 Ų86.312%0.1244%0.441CS..Hα-helixtrans-88.2-2.4177.2-86.277000113.4C28 Q29 P34 A35 V64C28-L32 WeakPolarHBondContact O-CD1 3.41Å; C28-L32 PolarHBondContact O-N 3.38Å; Q29-L32 PolarHBondContact O-N 3.47Å; L32-P34 VanDerWaalsContact C-N 3.25Å; L32-P34 WeakPolarHBondContact O-CD 3.26Å; L32-A35 PolarHBondContact O-N 3.39Å; L32-V64 HydrophobicContact CD1-CG2 4.26Å
33R62.4Low70.9Confident162 Ų16284.6 Ų84.661%0.61144%0.437SS*.THydrogen-bonded Turntrans-49.2-26.6-177-163.3175.2-70.2147.3-3116.4Q29 E30 K31Q29-R33 PolarHBondContact O-N 3.47Å; E30-R33 VanDerWaalsContact CB-NH2 3.32Å; E30-R33 VanDerWaalsContact O-CB 3.25Å; E30-R33 WeakPolarHBondContact O-CB 3.44Å; E30-R33 IonicContact OE1-CZ 3.41Å; E30-R33 IonicContact OE1-NH1 2.76Å; E30-R33 PolarHBondContact OE1-NH1 3.44Å; E30-R33 IonicContact OE1-NH2 3.14Å; E30-R33 PolarHBondContact OE1-NH2 3.05Å; E30-R33 VanDerWaalsContact OE1-NH2 3.14Å; K31-R33 VanDerWaalsContact C-N 3.35Å
34P56.4Low70.9Confident122 Ų12277.4 Ų77.479%0.79241%0.411SS*.THydrogen-bonded Turntrans-92.40.9174.332.1-30.2000115.5L32L32-P34 VanDerWaalsContact C-N 3.25Å; L32-P34 WeakPolarHBondContact O-CD 3.26Å
35A58.3Low71Confident83 Ų8376 Ų7669%0.68640%0.403SS*.THydrogen-bonded Turntrans-131.9-7.5-165.100000117.5L32L32-A35 PolarHBondContact O-N 3.39Å
36L54Low70.8Confident76 Ų7681.4 Ų81.440%0.39843%0.431SS..  trans-148.9106.3-176-157.767.3000113.8S38 F39 L57L36-S38 PolarHBondContact O-N 3.48Å; L36-F39 HydrophobicContact CD2-CB 4.38Å; L36-L57 HydrophobicContact CD2-CD2 4.29Å
37D55.2Low70.5Confident187 Ų18779.5 Ų79.5100%142%0.42SS*.THydrogen-bonded Turntrans-69.3-2.5173.3-76-35.9000113.8
38S66Low70.2Confident67 Ų6777 Ų7747%0.46941%0.405SS..THydrogen-bonded Turntrans-121.716.9-172.665.10000115.3L36 N40L36-S38 PolarHBondContact O-N 3.48Å; S38-N40 PolarHBondContact O-N 3.33Å; S38-N40 VanDerWaalsContact O-N 3.17Å; S38-N40 PolarHBondContact O-ND2 3.4Å
39F69.3Low69.9Low27 Ų2780.3 Ų80.312%0.11842%0.421CS..  trans-73.9109.4177.4-173.3-93000111.3Q29 L36 L41 C44Q29-F39 HydrophobicContact CB-CD1 3.81Å; Q29-F39 HydrophobicContact CB-CE1 3.64Å; Q29-F39 HydrophobicContact CB-CZ 4.48Å; Q29-F39 HydrophobicContact CG-CD1 3.67Å; Q29-F39 HydrophobicContact CG-CE1 4.02Å; L36-F39 HydrophobicContact CD2-CB 4.38Å; F39-L41 HydrophobicContact CE1-CD1 4.43Å; F39-C44 HydrophobicContact CE1-CB 4.32Å; F39-C44 HydrophobicContact CE2-CB 4.25Å; F39-C44 HydrophobicContact CZ-CB 3.63Å
40N74.8Confident69.2Low99 Ų9984 Ų8453%0.52944%0.438SS..  trans-95.6113.8176-72-74.7000110.4S38 E42 V43 C44S38-N40 PolarHBondContact O-N 3.33Å; S38-N40 VanDerWaalsContact O-N 3.17Å; S38-N40 PolarHBondContact O-ND2 3.4Å; N40-E42 VanDerWaalsContact C-N 3.28Å; N40-E42 PolarHBondContact O-N 3.14Å; N40-V43 HydrophobicContact CB-CB 4.09Å; N40-V43 HydrophobicContact CB-CG2 3.74Å; N40-V43 PolarHBondContact O-N 3.42Å; N40-C44 PolarHBondContact O-N 3.28Å; N40-C44 VanDerWaalsContact O-N 3.15Å
41L76Confident68.2Low49 Ų4987.8 Ų87.826%0.25745%0.453SS..Hα-helixtrans-60-37.9-179.1-177.864.9000112.3C25 L26 F39 C44 I45C25-L41 HydrophobicContact CB-CD1 3.81Å; L26-L41 HydrophobicContact CD2-CD1 3.84Å; L26-L41 HydrophobicContact CD2-CD2 3.61Å; L26-L41 HydrophobicContact CD2-CG 4.4Å; L26-L41 HydrophobicContact CG-CD1 4.06Å; L26-L41 HydrophobicContact CG-CD2 4.37Å; F39-L41 HydrophobicContact CE1-CD1 4.43Å; L41-C44 PolarHBondContact O-N 3.36Å; L41-I45 HydrophobicContact CD1-CD1 4.49Å; L41-I45 HydrophobicContact CG-CD1 4.09Å; L41-I45 VanDerWaalsContact O-CG1 3.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.5Å; L41-I45 PolarHBondContact O-N 3.49Å
42E76.3Confident67Low155 Ų15586.8 Ų86.872%0.72446%0.458SS*.Hα-helixtrans-65-40.2179.3-64.3-179.9173.300112.1N40 I45 L46N40-E42 VanDerWaalsContact C-N 3.28Å; N40-E42 PolarHBondContact O-N 3.14Å; E42-I45 PolarHBondContact O-N 3.44Å; E42-L46 WeakPolarHBondContact O-CG 3.41Å; E42-L46 PolarHBondContact O-N 3.17Å; E42-L46 VanDerWaalsContact O-N 3.07Å
43V76.4Confident65.4Low56 Ų5693.9 Ų93.934%0.33949%0.488SS..Hα-helixtrans-66.9-40.9176.6179.80000110.6N40 I45 L46 E47 L57N40-V43 HydrophobicContact CB-CB 4.09Å; N40-V43 HydrophobicContact CB-CG2 3.74Å; N40-V43 PolarHBondContact O-N 3.42Å; V43-I45 VanDerWaalsContact C-N 3.32Å; V43-I45 PolarHBondContact O-N 2.91Å; V43-L46 PolarHBondContact O-N 3.22Å; V43-E47 HydrophobicContact CG1-CG 4.32Å; V43-E47 WeakPolarHBondContact O-CB 3.46Å; V43-E47 WeakPolarHBondContact O-CG 2.94Å; V43-E47 PolarHBondContact O-N 3.05Å; V43-L57 HydrophobicContact CG1-CD1 4.33Å
44C76.4Confident64.8Low6 Ų691.4 Ų91.44%0.04149%0.493CS..Hα-helixtrans-60.2-42.1175.2-176.10000112.2C25 F39 N40 L41 C48C25-C44 HydrophobicContact CB-CB 3.86Å; C25-C44 WeakPolarHBondContact CB-SG 3.37Å; C25-C44 WeakPolarHBondContact SG-CB 3.5Å; C25-C44 PolarHBondContact SG-O 3.2Å; C25-C44 CovalentContact SG-SG 2.05Å; C25-C44 PolarHBondContact SG-SG 3.46Å; F39-C44 HydrophobicContact CE1-CB 4.32Å; F39-C44 HydrophobicContact CE2-CB 4.25Å; F39-C44 HydrophobicContact CZ-CB 3.63Å; N40-C44 PolarHBondContact O-N 3.28Å; N40-C44 VanDerWaalsContact O-N 3.15Å; L41-C44 PolarHBondContact O-N 3.36Å; C44-C48 WeakPolarHBondContact O-CB 3.2Å; C44-C48 PolarHBondContact O-N 3.34Å
45I77.6Confident64.6Low30 Ų3087.2 Ų87.215%0.15447%0.467CS..Hα-helixtrans-64.5-49.4179.5-68.2165000109.9F18 Q22 L41 E42 V43 E47 C48 E49F18-I45 HydrophobicContact CD1-CG2 3.95Å; F18-I45 HydrophobicContact CE1-CG2 3.99Å; Q22-I45 HydrophobicContact CG-CD1 4.25Å; L41-I45 HydrophobicContact CD1-CD1 4.49Å; L41-I45 HydrophobicContact CG-CD1 4.09Å; L41-I45 VanDerWaalsContact O-CG1 3.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.5Å; L41-I45 PolarHBondContact O-N 3.49Å; E42-I45 PolarHBondContact O-N 3.44Å; V43-I45 VanDerWaalsContact C-N 3.32Å; V43-I45 PolarHBondContact O-N 2.91Å; I45-E47 PolarHBondContact O-N 3.43Å; I45-C48 PolarHBondContact O-N 3.33Å; I45-E49 WeakPolarHBondContact O-CG 3.36Å; I45-E49 PolarHBondContact O-N 3.48Å
46L73.8Confident64.6Low112 Ų11288.2 Ų88.259%0.58647%0.466SS*.Hα-helixtrans-61.2-41.7179.5-67.9172.2000112.5E42 V43 C48 E49 E50E42-L46 WeakPolarHBondContact O-CG 3.41Å; E42-L46 PolarHBondContact O-N 3.17Å; E42-L46 VanDerWaalsContact O-N 3.07Å; V43-L46 PolarHBondContact O-N 3.22Å; L46-C48 PolarHBondContact O-N 3.19Å; L46-E49 PolarHBondContact O-N 3.37Å; L46-E50 PolarHBondContact O-N 3.29Å; L46-E50 VanDerWaalsContact O-N 3.15Å
47E71.2Confident64.7Low33 Ų3387.3 Ų87.315%0.15446%0.461CS..Hα-helixtrans-68.3-34.5178.3-74.4-178.8178.900112.9V43 I45 E50 K51 S55V43-E47 HydrophobicContact CG1-CG 4.32Å; V43-E47 WeakPolarHBondContact O-CB 3.46Å; V43-E47 WeakPolarHBondContact O-CG 2.94Å; V43-E47 PolarHBondContact O-N 3.05Å; I45-E47 PolarHBondContact O-N 3.43Å; E47-E50 PolarHBondContact O-N 3.31Å; E47-K51 PolarHBondContact O-N 2.89Å; E47-S55 WeakPolarHBondContact OE1-CB 2.88Å; E47-S55 PolarHBondContact OE1-OG 3.49Å
48C73.5Confident64.9Low16 Ų1681.3 Ų81.311%0.10843%0.425CS..Hα-helixtrans-78.2-26.3-179.2160.50000112.4C21 C44 I45 L46 W58C21-C48 VanDerWaalsContact CA-SG 3.58Å; C21-C48 HydrophobicContact CB-CB 4.37Å; C21-C48 WeakPolarHBondContact CB-SG 3.35Å; C21-C48 WeakPolarHBondContact SG-CB 3.12Å; C21-C48 CovalentContact SG-SG 2.02Å; C21-C48 PolarHBondContact SG-SG 2.85Å; C44-C48 WeakPolarHBondContact O-CB 3.2Å; C44-C48 PolarHBondContact O-N 3.34Å; I45-C48 PolarHBondContact O-N 3.33Å; L46-C48 PolarHBondContact O-N 3.19Å; C48-W58 HydrophobicContact CB-CE3 4.29Å; C48-W58 HydrophobicContact CB-CH2 3.79Å; C48-W58 HydrophobicContact CB-CZ2 4.19Å; C48-W58 HydrophobicContact CB-CZ3 3.83Å
49E70.3Confident64.7Low71 Ų7181.7 Ų81.733%0.33243%0.425SS..Hα-helixtrans-68.4-40165.5-69.8-148.2107.700112.7F18 I45 L46F18-E49 HydrophobicContact CD1-CG 4.25Å; F18-E49 WeakPolarHBondContact CD2-OE1 3.23Å; F18-E49 HydrophobicContact CE1-CG 3.93Å; F18-E49 WeakPolarHBondContact CE1-OE1 3.19Å; F18-E49 WeakPolarHBondContact CE1-OE2 3.26Å; F18-E49 WeakPolarHBondContact CE2-OE1 3.31Å; F18-E49 HydrophobicContact CZ-CG 4.3Å; F18-E49 WeakPolarHBondContact CZ-OE1 3.46Å; F18-E49 WeakPolarHBondContact CZ-OE2 3.37Å; I45-E49 WeakPolarHBondContact O-CG 3.36Å; I45-E49 PolarHBondContact O-N 3.48Å; L46-E49 PolarHBondContact O-N 3.37Å
50E63.2Low64.2Low146 Ų14683.1 Ų83.168%0.68244%0.437SS*.Hα-helixtrans-77.5-22.2-172.2-106.6-17116500114.6L46 E47 V52L46-E50 PolarHBondContact O-N 3.29Å; L46-E50 VanDerWaalsContact O-N 3.15Å; E47-E50 PolarHBondContact O-N 3.31Å; E50-V52 WeakPolarHBondContact O-CB 2.95Å; E50-V52 VanDerWaalsContact O-CG2 3.23Å; E50-V52 WeakPolarHBondContact O-CG2 3.09Å; E50-V52 PolarHBondContact O-N 3.49Å
51K55.7Low63.9Low186 Ų18678.4 Ų78.481%0.80941%0.411SS*.  trans42.513.5170-125157.1-172.7169.80118.3E47E47-K51 PolarHBondContact O-N 2.89Å
52V49Very low63.4Low116 Ų11678.6 Ų78.670%0.70342%0.415SS*.SBendtrans-127.7-11.7-170.5179.50000112.6E50E50-V52 WeakPolarHBondContact O-CB 2.95Å; E50-V52 VanDerWaalsContact O-CG2 3.23Å; E50-V52 WeakPolarHBondContact O-CG2 3.09Å; E50-V52 PolarHBondContact O-N 3.49Å
53F38.8Very low62.8Low172 Ų17277.3 Ų77.375%0.75441%0.407SS*.  trans-131.2126174.5-95.2-89000113.8S55F53-S55 PolarHBondContact O-N 2.97Å; F53-S55 VanDerWaalsContact O-N 3.12Å
54P48.6Very low62.1Low110 Ų11077.1 Ų77.171%0.71441%0.405SS*.  trans-8195.9178.532.7-29.5000108.9
55S52.2Low61.3Low35 Ų3579.3 Ų79.325%0.24542%0.416CS..  trans-85.1148.9169.4-178.90000110.1E47 F53 L57 W58 T59E47-S55 WeakPolarHBondContact OE1-CB 2.88Å; E47-S55 PolarHBondContact OE1-OG 3.49Å; F53-S55 PolarHBondContact O-N 2.97Å; F53-S55 VanDerWaalsContact O-N 3.12Å; S55-L57 PolarHBondContact O-N 2.96Å; S55-W58 PolarHBondContact O-N 3.5Å; S55-T59 PolarHBondContact O-OG1 3.41Å
56P57.4Low60.4Low103 Ų10379.9 Ų79.967%0.66943%0.425SS*.THydrogen-bonded Turntrans-61.7-8.4-171.721.5-35.1000116.2P60P56-P60 WeakPolarHBondContact O-CD 3.38Å; P56-P60 WeakPolarHBondContact O-CG 2.77Å
57L57.1Low59.5Low58 Ų5882.6 Ų82.630%0.30443%0.428SS..THydrogen-bonded Turntrans-95.2-29.3-177.8-63.7174.1000113.5L36 V43 S55 P60L36-L57 HydrophobicContact CD2-CD2 4.29Å; V43-L57 HydrophobicContact CG1-CD1 4.33Å; S55-L57 PolarHBondContact O-N 2.96Å; L57-P60 WeakPolarHBondContact O-CD 3.11Å
58W59.4Low58.6Low60 Ų6084.5 Ų84.523%0.22745%0.445CS..Hα-helixtrans-80.4-25.8176.2-176.3-116.4000113.4C48 S55 C61 T62C48-W58 HydrophobicContact CB-CE3 4.29Å; C48-W58 HydrophobicContact CB-CH2 3.79Å; C48-W58 HydrophobicContact CB-CZ2 4.19Å; C48-W58 HydrophobicContact CB-CZ3 3.83Å; S55-W58 PolarHBondContact O-N 3.5Å; W58-C61 HydrophobicContact CE3-CB 4.15Å; W58-C61 WeakPolarHBondContact O-CB 3.39Å; W58-C61 PolarHBondContact O-N 2.93Å; W58-T62 HydrophobicContact CD2-CG2 4.02Å; W58-T62 VanDerWaalsContact CE2-CG2 3.44Å; W58-T62 HydrophobicContact CG-CG2 4.19Å; W58-T62 HydrophobicContact CZ2-CG2 3.86Å; W58-T62 VanDerWaalsContact NE1-CG2 3.27Å; W58-T62 WeakPolarHBondContact O-CG2 3.32Å; W58-T62 PolarHBondContact O-N 2.97Å; W58-T62 PolarHBondContact O-OG1 2.68Å
59T61.1Low57.3Low76 Ų7687.3 Ų87.347%0.46646%0.464SS..Hα-helixtrans-65.3-42.8179.3-0.10000113.6S55 C61 T62 K63S55-T59 PolarHBondContact O-OG1 3.41Å; T59-C61 VanDerWaalsContact C-N 3.31Å; T59-T62 WeakPolarHBondContact CA-OG1 3.36Å; T59-T62 PolarHBondContact O-OG1 3.12Å; T59-K63 WeakPolarHBondContact O-CB 3.11Å; T59-K63 PolarHBondContact O-N 2.99Å
60P60.1Low55.5Low57 Ų5794 Ų9437%0.3749%0.487SS..Hα-helixtrans-62.4-39.1170.7-23.532.9000112.4P56 L57 K63 V64P56-P60 WeakPolarHBondContact O-CD 3.38Å; P56-P60 WeakPolarHBondContact O-CG 2.77Å; L57-P60 WeakPolarHBondContact O-CD 3.11Å; P60-K63 PolarHBondContact O-N 3.49Å; P60-V64 WeakPolarHBondContact O-CG2 3.37Å; P60-V64 PolarHBondContact O-N 3.27Å
61C67.7Low54.5Low0 Ų095 Ų950%049%0.491CS..Hα-helixtrans-65.5-51.3-177.2-165.60000112.4C28 W58 T59 K63 V64 M65C28-C61 HydrophobicContact CB-CB 4.32Å; C28-C61 WeakPolarHBondContact CB-SG 3.45Å; C28-C61 WeakPolarHBondContact SG-CA 3.27Å; C28-C61 WeakPolarHBondContact SG-CB 3.23Å; C28-C61 CovalentContact SG-SG 2.01Å; C28-C61 PolarHBondContact SG-SG 3.35Å; W58-C61 HydrophobicContact CE3-CB 4.15Å; W58-C61 WeakPolarHBondContact O-CB 3.39Å; W58-C61 PolarHBondContact O-N 2.93Å; T59-C61 VanDerWaalsContact C-N 3.31Å; C61-K63 VanDerWaalsContact C-N 3.3Å; C61-K63 PolarHBondContact O-N 2.91Å; C61-V64 PolarHBondContact O-N 2.76Å; C61-M65 WeakPolarHBondContact O-CG 3.03Å; C61-M65 PolarHBondContact O-N 3.14Å
62T64.7Low53.4Low53 Ų5393.3 Ų93.333%0.32549%0.49SS..Hα-helixtrans-60.4-3717448.90000112.5W58 T59 M65 A66W58-T62 HydrophobicContact CD2-CG2 4.02Å; W58-T62 VanDerWaalsContact CE2-CG2 3.44Å; W58-T62 HydrophobicContact CG-CG2 4.19Å; W58-T62 HydrophobicContact CZ2-CG2 3.86Å; W58-T62 VanDerWaalsContact NE1-CG2 3.27Å; W58-T62 WeakPolarHBondContact O-CG2 3.32Å; W58-T62 PolarHBondContact O-N 2.97Å; W58-T62 PolarHBondContact O-OG1 2.68Å; T59-T62 WeakPolarHBondContact CA-OG1 3.36Å; T59-T62 PolarHBondContact O-OG1 3.12Å; T62-M65 PolarHBondContact O-N 3.31Å; T62-A66 WeakPolarHBondContact O-CB 3.37Å; T62-A66 PolarHBondContact O-N 3.02Å
63K64.1Low52.4Low128 Ų12893.3 Ų93.356%0.55750%0.495SS*.Hα-helixtrans-66.9-35.8176.1-169.6172-175.2173.10112.8T59 P60 C61 R67T59-K63 WeakPolarHBondContact O-CB 3.11Å; T59-K63 PolarHBondContact O-N 2.99Å; P60-K63 PolarHBondContact O-N 3.49Å; C61-K63 VanDerWaalsContact C-N 3.3Å; C61-K63 PolarHBondContact O-N 2.91Å; K63-R67 VanDerWaalsContact O-CG 3.29Å; K63-R67 WeakPolarHBondContact O-CG 3.12Å; K63-R67 PolarHBondContact O-N 2.85Å
64V62.3Low52.5Low52 Ų5291.5 Ų91.532%0.31550%0.501SS..Hα-helixtrans-73.9-42.3174.8172.30000111.1K31 L32 P60 C61 R67 S68K31-V64 HydrophobicContact CB-CG1 3.8Å; K31-V64 HydrophobicContact CG-CG1 4.19Å; L32-V64 HydrophobicContact CD1-CG2 4.26Å; P60-V64 WeakPolarHBondContact O-CG2 3.37Å; P60-V64 PolarHBondContact O-N 3.27Å; C61-V64 PolarHBondContact O-N 2.76Å; V64-R67 PolarHBondContact O-N 2.89Å; V64-S68 PolarHBondContact O-N 2.98Å
65M58.8Low51.5Low51 Ų5191.1 Ų91.125%0.25151%0.507SS..Hα-helixtrans-65.1-42.2175.7-71.4-177.172.400112.1D24 C61 T62 R67 S68 S69D24-M65 HydrophobicContact CB-CE 3.69Å; D24-M65 HydrophobicContact CB-SD 4.1Å; C61-M65 WeakPolarHBondContact O-CG 3.03Å; C61-M65 PolarHBondContact O-N 3.14Å; T62-M65 PolarHBondContact O-N 3.31Å; M65-R67 VanDerWaalsContact C-N 3.33Å; M65-R67 PolarHBondContact O-N 3.34Å; M65-S68 PolarHBondContact O-N 3.26Å; M65-S68 PolarHBondContact O-OG 2.75Å; M65-S69 PolarHBondContact O-N 3.05Å
66A59.7Low50.5Low43 Ų4394 Ų9436%0.35553%0.533SS..Hα-helixtrans-57.2-47.4175.100000110.5T62 S68 S69 W70T62-A66 WeakPolarHBondContact O-CB 3.37Å; T62-A66 PolarHBondContact O-N 3.02Å; A66-S68 PolarHBondContact O-N 3.11Å; A66-S69 PolarHBondContact O-N 3.1Å; A66-S69 PolarHBondContact O-OG 2.81Å; A66-W70 PolarHBondContact O-NE1 3.08Å
67R54.8Low50.1Low169 Ų16994.1 Ų94.164%0.63853%0.534SS*.Hα-helixtrans-59-29.8175.4-75.4172179-177.3-2.8113.8K63 V64 M65K63-R67 VanDerWaalsContact O-CG 3.29Å; K63-R67 WeakPolarHBondContact O-CG 3.12Å; K63-R67 PolarHBondContact O-N 2.85Å; V64-R67 PolarHBondContact O-N 2.89Å; M65-R67 VanDerWaalsContact C-N 3.33Å; M65-R67 PolarHBondContact O-N 3.34Å
68S51.2Low48.8Very low73 Ų7398.9 Ų98.951%0.5155%0.554SS.*Hα-helixtrans-79.2-26.4175.273.20000113.8V64 M65 A66 W70 Q71V64-S68 PolarHBondContact O-N 2.98Å; M65-S68 PolarHBondContact O-N 3.26Å; M65-S68 PolarHBondContact O-OG 2.75Å; A66-S68 PolarHBondContact O-N 3.11Å; S68-W70 VanDerWaalsContact C-N 3.33Å; S68-W70 PolarHBondContact O-N 3.02Å; S68-Q71 PolarHBondContact O-N 3.18Å
69S46.4Very low47.6Very low74 Ų74103.7 Ų103.752%0.51758%0.579SS.*Hα-helixtrans-71.3-24.2178.577.20000113.7M65 A66 Q71 L72M65-S69 PolarHBondContact O-N 3.05Å; A66-S69 PolarHBondContact O-N 3.1Å; A66-S69 PolarHBondContact O-OG 2.81Å; S69-Q71 PolarHBondContact O-N 3.33Å; S69-L72 PolarHBondContact O-N 3.32Å
70W33.3Very low46.3Very low213 Ų213106.8 Ų106.881%0.80760%0.598SS**THydrogen-bonded Turntrans-67.9-2.6176.2-64.789.4000114.2A66 S68A66-W70 PolarHBondContact O-NE1 3.08Å; S68-W70 VanDerWaalsContact C-N 3.33Å; S68-W70 PolarHBondContact O-N 3.02Å
71Q41.5Very low45Very low165 Ų165108.6 Ų108.677%0.77162%0.617SS**THydrogen-bonded Turntrans-105.33.9179.8-66.9-73.640.200114.3S68 S69S68-Q71 PolarHBondContact O-N 3.18Å; S69-Q71 PolarHBondContact O-N 3.33Å
72L33.1Very low43.5Very low151 Ų151113.5 Ų113.579%0.79166%0.658SS**SBendtrans-131.874177.7-79.3159.2000110.9S69S69-L72 PolarHBondContact O-N 3.32Å
73S27.7Very low42Very low116 Ų116115.7 Ų115.781%0.81168%0.681SS**  trans-154.7118.8155-89.80000111
74P40.5Very low40.8Very low135 Ų135117.9 Ų117.988%0.87770%0.698SS**  trans-93.1103.2170.432.2-24.6000110.4
75A28.6Very low39.2Very low101 Ų101125.3 Ų125.384%0.83572%0.722SS**  trans-167.6112.4153.200000109.4
76A31.1Very low38.4Very low96 Ų96130.8 Ų130.879%0.79375%0.747SS**  trans-88.5-179.9167.100000109.8
77P48.6Very low37.1Very low106 Ų106133.4 Ų133.469%0.68876%0.76SS**  cis-128.1168.73.532.9-9.6000112.6
78E29.2Very low36.1Very low158 Ų158136.3 Ų136.374%0.73877%0.771SS**  -173143.368.2-69.7-111.2121.400110.4
79H35.6Very low35.7Very low161 Ų161137.6 Ų137.675%0.74579%0.786SS**  trans13.1135.4142-48.1-79.3000119
80V34Very low36Very low141 Ų141139 Ų13986%0.85580%0.796SS**  cis-170.613547.6-173.90000104.8
81A32.1Very low36.6Very low95 Ų95136.9 Ų136.979%0.78580%0.795SS**  177.9141.687.100000110.6
82A35.3Very low36.9Very low103 Ų103138 Ų13885%0.85180%0.803SS**  trans-71.4142.1-178.600000113.6
83A33.3Very low37.7Very low98 Ų98138.9 Ų138.981%0.8180%0.803SS**  trans-155.295.4146.400000110
84L39.2Very low38.9Very low174 Ų174140.9 Ų140.991%0.91180%0.799SS**  trans13.2107148.4-59.8175.3000118.8
85Y30Very low39.3Very low208 Ų208142.5 Ų142.582%0.81680%0.8SS**  -152.7104.4127.6-159.9-106.3000109.3P87Y85-P87 HydrophobicContact CD1-CG 3.86Å; Y85-P87 HydrophobicContact CE1-CG 3.94Å; Y85-P87 WeakPolarHBondContact O-CD 3.44Å
86Q41.1Very low40.2Very low167 Ų167149 Ų14978%0.7880%0.803SS**  trans-83.7119.4162.5-90-83.4-33.200108
87P33.1Very low41.5Very low98 Ų98155.9 Ų155.964%0.63681%0.808SS**  trans-89.7116.4148.5-5.924.1000107.7Y85Y85-P87 HydrophobicContact CD1-CG 3.86Å; Y85-P87 HydrophobicContact CE1-CG 3.94Å; Y85-P87 WeakPolarHBondContact O-CD 3.44Å
88R34.1Very low41.2Very low229 Ų229159.4 Ų159.486%0.86482%0.817SS**  trans-41.2137.1175.5-71.2-168.1171.9175.4-1.2112.9S90R88-S90 PolarHBondContact O-N 3.37Å
89A42.7Very low42.2Very low100 Ų100157.5 Ų157.583%0.82682%0.819SS**SBendtrans-57114.8147.600000108.9
90S52Low43.2Very low105 Ų105161.6 Ų161.673%0.73483%0.828SS**  trans176.876.3142.4-176.60000110.7R88R88-S90 PolarHBondContact O-N 3.37Å
91E46.6Very low43.7Very low167 Ų167161.6 Ų161.678%0.7883%0.827SS**  trans-155.943.7156.1-141.3177.8154.500112.8
92M46.5Very low44.3Very low188 Ų188168.4 Ų168.493%0.92683%0.833SS**  trans-107.843.1168.1-88.3-83.2164.200110.7
93Q51.5Low44.5Very low171 Ų171167.8 Ų167.880%0.79982%0.822SS**  trans-135.239.5176.6-65.2-169.72.700113.5
94H52.8Low44.7Very low157 Ų157170.5 Ų170.573%0.72782%0.822SS**  trans-129.318.4171.2-74.9-87.7000114.8R96H94-R96 VanDerWaalsContact C-N 3.26Å; H94-R96 PolarHBondContact O-N 2.79Å
95L47Very low44.5Very low170 Ų170171.5 Ų171.589%0.8982%0.82SS**SBendtrans-72.893.2154.2-71.7170.9000107.5R97L95-R97 PolarHBondContact O-N 3.33Å
96R47.8Very low44.8Very low238 Ų238169.7 Ų169.790%0.89882%0.819SS**  trans-37.998.1170.4-72.1-89.6-168.8168.40.8110.6H94 M98H94-R96 VanDerWaalsContact C-N 3.26Å; H94-R96 PolarHBondContact O-N 2.79Å; R96-M98 PolarHBondContact O-N 3.43Å
97R58.7Low44.2Very low240 Ų240170.6 Ų170.691%0.90682%0.823SS**  trans-64.4114.1163.3-127.3177.6-171.7136.3-0106.2L95 P99L95-R97 PolarHBondContact O-N 3.33Å; R97-P99 WeakPolarHBondContact O-CD 3.47Å
98M43.1Very low44.2Very low180 Ų180174.4 Ų174.489%0.88783%0.832SS**PPolyproline II helixtrans-60.1124.4174-66.2-173.8-167.600108.9R96 R100R96-M98 PolarHBondContact O-N 3.43Å; M98-R100 PolarHBondContact O-N 2.93Å
99P49Very low44Very low118 Ų118172.1 Ų172.177%0.76683%0.831SS**PPolyproline II helixtrans-69.7123.7174.4-11.526.7000108.6R97 V101R97-P99 WeakPolarHBondContact O-CD 3.47Å; P99-V101 PolarHBondContact O-N 3.4Å
100R56.3Low43.6Very low247 Ų247174.9 Ų174.993%0.93283%0.827SS**PPolyproline II helixtrans-64.7117.6162.4-100.4-178.9164.2114-4.7107M98 R102M98-R100 PolarHBondContact O-N 2.93Å; R100-R102 PolarHBondContact O-N 2.76Å
101V45.1Very low42.5Very low140 Ų140175.5 Ų175.585%0.84883%0.828SS**  trans-54112.4173178.20000108.3P99P99-V101 PolarHBondContact O-N 3.4Å
102R45.9Very low41.9Very low239 Ų239174.9 Ų174.990%0.90283%0.826SS**  trans-91.897.8167.8-166.1175.6-169.9128.10.1105.4R100 L104R100-R102 PolarHBondContact O-N 2.76Å; R102-L104 PolarHBondContact O-N 3.38Å; R102-L104 VanDerWaalsContact O-N 3.17Å
103S38.5Very low41.5Very low90 Ų90171.7 Ų171.763%0.62982%0.819SS**  trans-71.5109.9172.262.90000108.2F105S103-F105 PolarHBondContact O-N 3.12Å
104L38.3Very low40.7Very low154 Ų154166.5 Ų166.581%0.80681%0.812SS**  trans-64.9110.9152.1-86.7158.2000106.9R102R102-L104 PolarHBondContact O-N 3.38Å; R102-L104 VanDerWaalsContact O-N 3.17Å
105F34.3Very low39.9Very low196 Ų196168 Ų16886%0.8682%0.821SS**  trans-125.7106.7143-81.9-77.8000106.5S103S103-F105 PolarHBondContact O-N 3.12Å
106Q35.6Very low40Very low170 Ų170168.8 Ų168.879%0.79482%0.82SS**  trans-73.4124.2158.3174.6175.819.300106.3
107E28.7Very low39.9Very low185 Ų185166.9 Ų166.986%0.86482%0.821SS**  trans-161.2138.2132.9-140146.2102.100109.6
108Q33.5Very low39.1Very low178 Ų178158.1 Ų158.183%0.83280%0.8SS**  trans-58.8149.2178.7-71.4159.8-73.500111.7
109E29.7Very low39.4Very low181 Ų181151.9 Ų151.985%0.84678%0.782SS**  175.7127.8102.1-133.7167.7121.600109.6
110E33.8Very low39.4Very low158 Ų158153.7 Ų153.774%0.73878%0.781SS**  trans-71.2140.9159.2-75.4-83.7137.600108
111P30.2Very low39.2Very low118 Ų118149.3 Ų149.377%0.76677%0.772SS**  -149.6132.898.533.9-14.8000114.8
112E33.7Very low39.6Very low154 Ų154148.4 Ų148.472%0.7276%0.759SS**  trans-58.8155.4148.3-69-73.4148.600109.7
113P38.5Very low40Very low122 Ų122144.1 Ų144.179%0.79275%0.749SS**  cis-147.6162.536.337.9-16.5000117.5
114G33.3Very low40.8Very low62 Ų62147.1 Ų147.164%0.63975%0.751SS**  trans77.9106.5136.300000118.6
115M37.8Very low41.7Very low187 Ų187146.4 Ų146.492%0.92174%0.744SS**  -176.7111.7118.2-96172.4-161.100108.6
116E48.8Very low42.6Very low187 Ų187141.7 Ų141.787%0.87473%0.727SS**  trans-48.2146.9156.8-61.8174.8139.400109
117E45.9Very low43.5Very low198 Ų198141 Ų14193%0.92572%0.724SS**  trans10828.2-173.3-59.5-82.8145.800116.1
118A42.3Very low44.9Very low56 Ų56141 Ų14146%0.46372%0.721SS.*  trans-125.6-1165.600000114.6E120 M121 E122A118-E120 PolarHBondContact O-N 2.86Å; A118-M121 PolarHBondContact O-N 3.33Å; A118-E122 PolarHBondContact O-N 2.77Å
119G48.2Very low46.1Very low49 Ų49142.6 Ų142.651%0.50572%0.719SS.*Hα-helixtrans-68.8-28.1-170.500000115.6
120E49.2Very low47.4Very low157 Ų157143 Ų14373%0.73472%0.718SS**Hα-helixtrans-80.7-27.9-179.7-79.4-159.3131.600113.7A118A118-E120 PolarHBondContact O-N 2.86Å
121M51.5Low48.7Very low154 Ų154138.7 Ų138.776%0.75972%0.716SS**Hα-helixtrans-78.3-35.3177.9-67.1-141.8-53.900111.9A118 Q125A118-M121 PolarHBondContact O-N 3.33Å; M121-Q125 PolarHBondContact O-N 3.44Å; M121-Q125 VanDerWaalsContact O-N 3.14Å
122E53.8Low50.3Low122 Ų122136.2 Ų136.257%0.5771%0.712SS**Hα-helixtrans-68.2-39.9177-83.9-165.697.200112.7A118 K124 Q125 L126A118-E122 PolarHBondContact O-N 2.77Å; E122-K124 PolarHBondContact O-N 3.46Å; E122-Q125 PolarHBondContact O-N 2.85Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; E122-L126 WeakPolarHBondContact O-CB 3.28Å; E122-L126 VanDerWaalsContact O-CG 3.24Å; E122-L126 WeakPolarHBondContact O-CG 3.34Å; E122-L126 PolarHBondContact O-N 3.29Å
123Q54.5Low51.4Low149 Ų149138.8 Ų138.870%0.69672%0.721SS**Hα-helixtrans-65.7-36.1177.4-75.2-172.8-900113Q125 Q127Q123-Q125 VanDerWaalsContact C-N 3.34Å; Q123-Q127 PolarHBondContact O-N 3.3Å
124K54.5Low52.4Low152 Ų152140 Ų14066%0.66173%0.727SS**Hα-helixtrans-69.8-28.8173.1-76.1174.8-179.1165.50112.7E122E122-K124 PolarHBondContact O-N 3.46Å
125Q57.5Low53.6Low140 Ų140140 Ų14065%0.65473%0.726SS**Hα-helixtrans-80.9-30176.7-153.3179.518.800112.6M121 E122 Q123 Q127 K128M121-Q125 PolarHBondContact O-N 3.44Å; M121-Q125 VanDerWaalsContact O-N 3.14Å; E122-Q125 PolarHBondContact O-N 2.85Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; Q123-Q125 VanDerWaalsContact C-N 3.34Å; Q125-Q127 VanDerWaalsContact C-N 3.34Å; Q125-Q127 PolarHBondContact O-N 2.93Å; Q125-K128 PolarHBondContact O-N 2.96Å
126L53.5Low54.6Low96 Ų96135.5 Ų135.550%0.50372%0.719SS.*Hα-helixtrans-68.9-27.7175.8-73.9165.9000113.1E122 K128 R129E122-L126 WeakPolarHBondContact O-CB 3.28Å; E122-L126 VanDerWaalsContact O-CG 3.24Å; E122-L126 WeakPolarHBondContact O-CG 3.34Å; E122-L126 PolarHBondContact O-N 3.29Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 2.71Å; L126-R129 PolarHBondContact O-N 3.25Å; L126-R129 VanDerWaalsContact O-N 3.14Å
127Q55.8Low54.9Low157 Ų157137.8 Ų137.873%0.73472%0.72SS**Hα-helixtrans-68.5-26.3174-161.9174.14900113.1Q123 Q125 R129 G131Q123-Q127 PolarHBondContact O-N 3.3Å; Q125-Q127 VanDerWaalsContact C-N 3.34Å; Q125-Q127 PolarHBondContact O-N 2.93Å; Q127-R129 PolarHBondContact O-N 3Å; Q127-G131 PolarHBondContact O-N 3.07Å
128K56.9Low55.2Low185 Ų185138 Ų13880%0.80472%0.718SS**Hα-helixtrans-73.6-10.3172.7-67.6-173.9-179.5177.50113.5Q125 L126Q125-K128 PolarHBondContact O-N 2.96Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 2.71Å
129R58.9Low55.7Low211 Ų211139.7 Ų139.780%0.79673%0.726SS**Hα-helixtrans-98.4-12.6178.9-81.1-171.9173.4-1411.7115.1L126 Q127L126-R129 PolarHBondContact O-N 3.25Å; L126-R129 VanDerWaalsContact O-N 3.14Å; Q127-R129 PolarHBondContact O-N 3Å
130F57.5Low56Low189 Ų189140.7 Ų140.783%0.82973%0.73SS**Hα-helixtrans-127.9-0.8-179.9-68.7-77.7000115.7
131G61.4Low56.3Low68 Ų68144.2 Ų144.270%0.70174%0.736SS**SBendtrans-104.794.1176.400000113.5Q127Q127-G131 PolarHBondContact O-N 3.07Å
132G63.4Low56.4Low65 Ų65145.1 Ų145.167%0.6774%0.736SS**SBendtrans148.11.3153.100000120.3T134G132-T134 VanDerWaalsContact C-N 3.29Å; G132-T134 PolarHBondContact O-N 3.39Å
133F57.2Low56.3Low209 Ų209143.8 Ų143.892%0.91773%0.732SS**THydrogen-bonded Turntrans-80.2-2.5-176.4-156.6-103.4000115.1
134T58Low56.2Low147 Ų147139.9 Ų139.990%0.90273%0.725SS**THydrogen-bonded Turntrans-134.444.2-177.5460000113.8G132G132-T134 VanDerWaalsContact C-N 3.29Å; G132-T134 PolarHBondContact O-N 3.39Å
135G58.9Low56.3Low61 Ų61138.3 Ų138.363%0.62972%0.724SS**SBendtrans-145.6125.3168.500000111.6
136A58.4Low56.4Low94 Ų94138 Ų13878%0.77772%0.723SS**SBendtrans81.527167.800000120.8
137R56.5Low56.7Low235 Ų235139.7 Ų139.789%0.88773%0.726SS**SBendtrans-120.27.8163.2-73.9-168.5-179.8-168.41.4116.5
138K50.6Low56.9Low203 Ų203141.8 Ų141.888%0.88373%0.727SS**SBendtrans-91.7-7.7173.6-68.3-171.1-178.2-175.90114.8
139S54.3Low57.1Low90 Ų90139.2 Ų139.263%0.62972%0.716SS**SBendtrans-86-29.7178.6530000113.6K142S139-K142 PolarHBondContact O-N 3.26Å
140A54.6Low57.5Low71 Ų71131.3 Ų131.359%0.58769%0.693SS**Hα-helixtrans-73.6-32.3-17400000114.1K142 L143A140-K142 VanDerWaalsContact C-N 3.28Å; A140-K142 PolarHBondContact O-N 3.43Å; A140-L143 PolarHBondContact O-N 3.34Å
141R54.5Low58.3Low231 Ų231127.7 Ų127.787%0.87268%0.679SS**Hα-helixtrans-74.5-14.2178.5-78.7-170.7-173.5-143.31.5114.1
142K52.9Low59.1Low173 Ų173130.5 Ų130.575%0.75267%0.672SS**Hα-helixtrans-88.6-24.6176.2-155172.8-176.6-177.80112.6S139 A140 Q146S139-K142 PolarHBondContact O-N 3.26Å; A140-K142 VanDerWaalsContact C-N 3.28Å; A140-K142 PolarHBondContact O-N 3.43Å; K142-Q146 PolarHBondContact O-N 3.34Å
143L52.2Low59.7Low93 Ų93131.1 Ų131.149%0.48766%0.658SS.*Hα-helixtrans-72.7-32.9-179.7-167.867.9000112.9A140 N145 Q146 K147A140-L143 PolarHBondContact O-N 3.34Å; L143-N145 VanDerWaalsContact C-N 3.33Å; L143-N145 PolarHBondContact O-N 3.42Å; L143-Q146 PolarHBondContact O-N 3.07Å; L143-K147 PolarHBondContact O-N 2.05Å; L143-K147 VanDerWaalsContact O-N 3.15Å
144A52.9Low60.9Low67 Ų67129.4 Ų129.455%0.55465%0.646SS**Hα-helixtrans-66-34.2176.400000112.7R148A144-R148 WeakPolarHBondContact O-CB 3.25Å; A144-R148 PolarHBondContact O-N 2.91Å
145N56.4Low62.1Low119 Ų119128.1 Ų128.164%0.63663%0.63SS**Hα-helixtrans-72-38.5176.8-166.1-67.8000111.4L143 R148 F149L143-N145 VanDerWaalsContact C-N 3.33Å; L143-N145 PolarHBondContact O-N 3.42Å; N145-R148 PolarHBondContact O-N 3.45Å; N145-F149 WeakPolarHBondContact O-CB 3.18Å; N145-F149 PolarHBondContact O-N 3.39Å
146Q60.1Low63.3Low134 Ų134132 Ų13263%0.62663%0.626SS**Hα-helixtrans-65.6-41.7177.3-169.6-175.670.500112.8K142 L143 S150K142-Q146 PolarHBondContact O-N 3.34Å; L143-Q146 PolarHBondContact O-N 3.07Å; Q146-S150 WeakPolarHBondContact O-CB 3.4Å; Q146-S150 PolarHBondContact O-N 2.87Å; Q146-S150 PolarHBondContact O-OG 3.1Å
147K59.7Low64.5Low131 Ų131132.4 Ų132.457%0.5762%0.615SS**Hα-helixtrans-63.5-44.7175.9-72.4-171.1178.5-173.60111.6L143 F149 S150 E151L143-K147 PolarHBondContact O-N 2.05Å; L143-K147 VanDerWaalsContact O-N 3.15Å; K147-F149 PolarHBondContact O-N 3.42Å; K147-S150 PolarHBondContact O-N 3.45Å; K147-S150 PolarHBondContact O-OG 3.42Å; K147-E151 PolarHBondContact O-N 3.29Å
148R60.1Low65.8Low201 Ų201125.3 Ų125.376%0.75860%0.597SS**Hα-helixtrans-66.2-37.4-179.6-155.8176.5-169.5-142.12.4112.9A144 N145 E151 F152A144-R148 WeakPolarHBondContact O-CB 3.25Å; A144-R148 PolarHBondContact O-N 2.91Å; N145-R148 PolarHBondContact O-N 3.45Å; R148-E151 PolarHBondContact O-N 3.03Å; R148-F152 PolarHBondContact O-N 3.25Å; R148-F152 VanDerWaalsContact O-N 3.15Å
149F59.8Low67.2Low131 Ų131121 Ų12158%0.57558%0.583SS**Hα-helixtrans-66.9-39.7173.5-173.4-98.9000111.8N145 K147 E151 F152 M153N145-F149 WeakPolarHBondContact O-CB 3.18Å; N145-F149 PolarHBondContact O-N 3.39Å; K147-F149 PolarHBondContact O-N 3.42Å; F149-E151 PolarHBondContact O-N 3.32Å; F149-F152 PolarHBondContact O-N 3.38Å; F149-M153 HydrophobicContact CD1-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.82Å; F149-M153 HydrophobicContact CZ-CG 4.06Å; F149-M153 HydrophobicContact CZ-SD 4.27Å; F149-M153 WeakPolarHBondContact O-CG 3Å; F149-M153 PolarHBondContact O-N 2.86Å
150S68.9Low68.2Low45 Ų45119.3 Ų119.332%0.31557%0.572SS.*Hα-helixtrans-66.8-34.3177.575.90000113.2Q146 K147 R154Q146-S150 WeakPolarHBondContact O-CB 3.4Å; Q146-S150 PolarHBondContact O-N 2.87Å; Q146-S150 PolarHBondContact O-OG 3.1Å; K147-S150 PolarHBondContact O-N 3.45Å; K147-S150 PolarHBondContact O-OG 3.42Å; S150-R154 WeakPolarHBondContact O-CB 2.81Å; S150-R154 WeakPolarHBondContact O-CG 3.43Å; S150-R154 PolarHBondContact O-N 3.03Å
151E73.7Confident69.3Low114 Ų114121.7 Ų121.753%0.53357%0.572SS.*Hα-helixtrans-69.9-42.5175.3-75.1179.1171.600112.1K147 R148 F149 M153 R154 Q155K147-E151 PolarHBondContact O-N 3.29Å; R148-E151 PolarHBondContact O-N 3.03Å; F149-E151 PolarHBondContact O-N 3.32Å; E151-M153 PolarHBondContact O-N 3.15Å; E151-R154 PolarHBondContact O-N 3.3Å; E151-Q155 WeakPolarHBondContact O-CG 3.13Å; E151-Q155 PolarHBondContact O-N 3.2Å
152F77.6Confident70.3Confident126 Ų126115.6 Ų115.655%0.55355%0.554SS**Hα-helixtrans-59.7-45.8174.7178.9-100000111.6R148 F149 R154 Q155 Y156R148-F152 PolarHBondContact O-N 3.25Å; R148-F152 VanDerWaalsContact O-N 3.15Å; F149-F152 PolarHBondContact O-N 3.38Å; F152-R154 VanDerWaalsContact C-N 3.34Å; F152-R154 PolarHBondContact O-N 3.05Å; F152-Q155 PolarHBondContact O-N 3.17Å; F152-Y156 PolarHBondContact O-N 3.19Å
153M76.6Confident71Confident78 Ų78110.2 Ų110.238%0.38454%0.538SS..Hα-helixtrans-62.9-38.9176.2-71.5-61.9-67.300112.3F149 E151 Y156 L157F149-M153 HydrophobicContact CD1-CG 4.21Å; F149-M153 HydrophobicContact CE1-CG 3.82Å; F149-M153 HydrophobicContact CZ-CG 4.06Å; F149-M153 HydrophobicContact CZ-SD 4.27Å; F149-M153 WeakPolarHBondContact O-CG 3Å; F149-M153 PolarHBondContact O-N 2.86Å; E151-M153 PolarHBondContact O-N 3.15Å; M153-Y156 PolarHBondContact O-N 3.49Å; M153-L157 VanDerWaalsContact O-CG 3.31Å; M153-L157 WeakPolarHBondContact O-CG 2.83Å; M153-L157 PolarHBondContact O-N 2.89Å
154R82.3Confident72.1Confident173 Ų173107.7 Ų107.765%0.65353%0.528SS*.Hα-helixtrans-63-44.8174.5-76.2170.4-179.6-163.8-0.3111.9S150 E151 F152 L157 V158S150-R154 WeakPolarHBondContact O-CB 2.81Å; S150-R154 WeakPolarHBondContact O-CG 3.43Å; S150-R154 PolarHBondContact O-N 3.03Å; E151-R154 PolarHBondContact O-N 3.3Å; F152-R154 VanDerWaalsContact C-N 3.34Å; F152-R154 PolarHBondContact O-N 3.05Å; R154-L157 PolarHBondContact O-N 3.37Å; R154-V158 WeakPolarHBondContact O-CG2 3.21Å; R154-V158 PolarHBondContact O-N 3.01Å
155Q82.3Confident73.2Confident121 Ų121110.9 Ų110.957%0.56553%0.531SS*.Hα-helixtrans-61.5-44.7176.8-73.2175.1-12.700111.6E151 F152 L157 V158 L159E151-Q155 WeakPolarHBondContact O-CG 3.13Å; E151-Q155 PolarHBondContact O-N 3.2Å; F152-Q155 PolarHBondContact O-N 3.17Å; Q155-L157 PolarHBondContact O-N 3.15Å; Q155-V158 PolarHBondContact O-N 2.02Å; Q155-L159 WeakPolarHBondContact O-CB 3.37Å; Q155-L159 WeakPolarHBondContact O-CG 3Å; Q155-L159 PolarHBondContact O-N 3.5Å
156Y85.6Confident74Confident142 Ų142114 Ų11456%0.55753%0.534SS*.Hα-helixtrans-61.3-44.7177.2-178.4-98.4000112.3F152 M153 L159 S160F152-Y156 PolarHBondContact O-N 3.19Å; M153-Y156 PolarHBondContact O-N 3.49Å; Y156-L159 PolarHBondContact O-N 3.03Å; Y156-S160 VanDerWaalsContact O-CB 3.23Å; Y156-S160 WeakPolarHBondContact O-CB 3.44Å; Y156-S160 PolarHBondContact O-N 2.96Å
157L82.7Confident74.5Confident103 Ų103117 Ų11754%0.53954%0.539SS..Hα-helixtrans-63.7-42.1177.8-72.7171.4000112.3M153 R154 Q155 S160 M161M153-L157 VanDerWaalsContact O-CG 3.31Å; M153-L157 WeakPolarHBondContact O-CG 2.83Å; M153-L157 PolarHBondContact O-N 2.89Å; R154-L157 PolarHBondContact O-N 3.37Å; Q155-L157 PolarHBondContact O-N 3.15Å; L157-S160 PolarHBondContact O-N 3.47Å; L157-M161 WeakPolarHBondContact O-CB 2.9Å; L157-M161 WeakPolarHBondContact O-CG 3.39Å; L157-M161 PolarHBondContact O-N 3.32Å
158V84.5Confident75.2Confident85 Ų85119 Ų11952%0.51554%0.543SS..Hα-helixtrans-64.7-45.5177.7171.20000111.4R154 Q155 S160 M161 Q162R154-V158 WeakPolarHBondContact O-CG2 3.21Å; R154-V158 PolarHBondContact O-N 3.01Å; Q155-V158 PolarHBondContact O-N 2.02Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 2.01Å; V158-M161 PolarHBondContact O-N 3.05Å; V158-Q162 PolarHBondContact O-N 3.45Å
159L79.3Confident75.8Confident113 Ų113112.5 Ų112.559%0.59253%0.526SS*.Hα-helixtrans-63.7-40.8176.8-71.7170.1000111.6Q155 Y156 Q162 S163Q155-L159 WeakPolarHBondContact O-CB 3.37Å; Q155-L159 WeakPolarHBondContact O-CG 3Å; Q155-L159 PolarHBondContact O-N 3.5Å; Y156-L159 PolarHBondContact O-N 3.03Å; L159-Q162 PolarHBondContact O-N 3.47Å; L159-S163 WeakPolarHBondContact O-CB 3.23Å; L159-S163 PolarHBondContact O-N 2.78Å; L159-S163 PolarHBondContact O-OG 3.45Å
160S75.9Confident76.5Confident55 Ų55112.5 Ų112.539%0.38553%0.532SS..Hα-helixtrans-61.9-46.6175.9-177.70000111.5Y156 L157 V158 S163 S164Y156-S160 VanDerWaalsContact O-CB 3.23Å; Y156-S160 WeakPolarHBondContact O-CB 3.44Å; Y156-S160 PolarHBondContact O-N 2.96Å; L157-S160 PolarHBondContact O-N 3.47Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 2.01Å; S160-S163 PolarHBondContact O-N 2.64Å; S160-S163 PolarHBondContact O-OG 2.63Å; S160-S164 WeakPolarHBondContact O-CB 3.35Å; S160-S164 PolarHBondContact O-N 2.93Å
161M76.8Confident76.4Confident121 Ų121116.5 Ų116.560%0.59655%0.545SS*.Hα-helixtrans-60.9-47.1176.6-72.3-106.464.900112.2L157 V158 S163 S164 Q165L157-M161 WeakPolarHBondContact O-CB 2.9Å; L157-M161 WeakPolarHBondContact O-CG 3.39Å; L157-M161 PolarHBondContact O-N 3.32Å; V158-M161 PolarHBondContact O-N 3.05Å; M161-S163 PolarHBondContact O-N 3.06Å; M161-S164 PolarHBondContact O-N 3.38Å; M161-Q165 WeakPolarHBondContact O-CB 3.43Å; M161-Q165 PolarHBondContact O-N 3.18Å
162Q76.5Confident76.3Confident103 Ų103118.1 Ų118.148%0.48155%0.552SS.*Hα-helixtrans-63.5-39.4177.5-77.3-174.2-6.600112.4V158 L159 Q165 R166V158-Q162 PolarHBondContact O-N 3.45Å; L159-Q162 PolarHBondContact O-N 3.47Å; Q162-Q165 PolarHBondContact O-N 2.87Å; Q162-R166 WeakPolarHBondContact O-CG 3.29Å; Q162-R166 PolarHBondContact O-N 3.04Å
163S67.3Low75.9Confident60 Ų60118 Ų11842%0.4256%0.557SS.*Hα-helixtrans-65.6-39.9176.878.20000111.9L159 S160 M161 R166 R167L159-S163 WeakPolarHBondContact O-CB 3.23Å; L159-S163 PolarHBondContact O-N 2.78Å; L159-S163 PolarHBondContact O-OG 3.45Å; S160-S163 PolarHBondContact O-N 2.64Å; S160-S163 PolarHBondContact O-OG 2.63Å; M161-S163 PolarHBondContact O-N 3.06Å; S163-R166 PolarHBondContact O-N 3.37Å; S163-R167 WeakPolarHBondContact O-CG 3.49Å; S163-R167 PolarHBondContact O-N 3.19Å
164S76Confident75.1Confident39 Ų39117.1 Ų117.127%0.27357%0.569SS.*Hα-helixtrans-64.9-43.5176.6-169.60000111S160 M161 R167 R168S160-S164 WeakPolarHBondContact O-CB 3.35Å; S160-S164 PolarHBondContact O-N 2.93Å; M161-S164 PolarHBondContact O-N 3.38Å; S164-R167 PolarHBondContact O-N 3.25Å; S164-R168 WeakPolarHBondContact O-CG 3.33Å; S164-R168 PolarHBondContact O-N 2.98Å
165Q75.8Confident73.9Confident134 Ų134115 Ų11563%0.62657%0.571SS**Hα-helixtrans-65.7-43178.5-162.1168.814.600111.9M161 Q162 R167 R168 T169M161-Q165 WeakPolarHBondContact O-CB 3.43Å; M161-Q165 PolarHBondContact O-N 3.18Å; Q162-Q165 PolarHBondContact O-N 2.87Å; Q165-R167 PolarHBondContact O-N 2.68Å; Q165-R168 PolarHBondContact O-N 3.4Å; Q165-T169 WeakPolarHBondContact O-CG2 3.33Å; Q165-T169 PolarHBondContact O-N 3.33Å; Q165-T169 PolarHBondContact O-OG1 2.93Å
166R72.6Confident72.4Confident184 Ų184118.4 Ų118.469%0.69460%0.599SS**Hα-helixtrans-61.1-39.9174-77.2-175.2-175.7-1792.3113Q162 S163 R168 T169 L170Q162-R166 WeakPolarHBondContact O-CG 3.29Å; Q162-R166 PolarHBondContact O-N 3.04Å; S163-R166 PolarHBondContact O-N 3.37Å; R166-R168 VanDerWaalsContact C-N 3.35Å; R166-T169 WeakPolarHBondContact CA-OG1 3.29Å; R166-T169 PolarHBondContact O-N 3.12Å; R166-T169 PolarHBondContact O-OG1 3.25Å; R166-L170 WeakPolarHBondContact O-CB 3.15Å; R166-L170 PolarHBondContact O-N 3.38Å
167R71.1Confident71.8Confident197 Ų197117.2 Ų117.274%0.74360%0.601SS**Hα-helixtrans-63.8-41.2175.3-76-174.8-175.1-139.23111.7S163 S164 Q165 L170 H171S163-R167 WeakPolarHBondContact O-CG 3.49Å; S163-R167 PolarHBondContact O-N 3.19Å; S164-R167 PolarHBondContact O-N 3.25Å; Q165-R167 PolarHBondContact O-N 2.68Å; R167-L170 PolarHBondContact O-N 3.18Å; R167-H171 WeakPolarHBondContact O-CB 3.08Å; R167-H171 PolarHBondContact O-N 3Å
168R73.7Confident71.2Confident174 Ų174117.9 Ų117.966%0.65760%0.604SS**Hα-helixtrans-64.1-44.2176.9-70.2175.4-173.1177.61.6112S164 Q165 R166 H171 Q172S164-R168 WeakPolarHBondContact O-CG 3.33Å; S164-R168 PolarHBondContact O-N 2.98Å; Q165-R168 PolarHBondContact O-N 3.4Å; R166-R168 VanDerWaalsContact C-N 3.35Å; R168-H171 PolarHBondContact O-N 3.15Å; R168-Q172 WeakPolarHBondContact O-CB 3.42Å; R168-Q172 PolarHBondContact O-N 3.03Å
169T72.5Confident70.5Confident64 Ų64119.8 Ų119.839%0.39361%0.609SS.*Hα-helixtrans-66.7-38.6177.355.10000112.2Q165 R166 Q172 N173Q165-T169 WeakPolarHBondContact O-CG2 3.33Å; Q165-T169 PolarHBondContact O-N 3.33Å; Q165-T169 PolarHBondContact O-OG1 2.93Å; R166-T169 WeakPolarHBondContact CA-OG1 3.29Å; R166-T169 PolarHBondContact O-N 3.12Å; R166-T169 PolarHBondContact O-OG1 3.25Å; T169-Q172 PolarHBondContact O-N 3.19Å; T169-N173 WeakPolarHBondContact O-CB 3.35Å; T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 3.36Å; T169-N173 PolarHBondContact O-ND2 3.41Å
170L74.2Confident69.9Low132 Ų132120.2 Ų120.269%0.69161%0.61SS**Hα-helixtrans-64.7-43.6176.2-169.2152.5000111.3R166 R167 Q172 N173 G174R166-L170 WeakPolarHBondContact O-CB 3.15Å; R166-L170 PolarHBondContact O-N 3.38Å; R167-L170 PolarHBondContact O-N 3.18Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 2.75Å; L170-N173 PolarHBondContact O-N 3.06Å; L170-G174 PolarHBondContact O-N 3.28Å
171H67.8Low69.6Low128 Ų128124.3 Ų124.359%0.59363%0.625SS**Hα-helixtrans-67.1-29.6176.1-165-67.4000112.8R167 R168R167-H171 WeakPolarHBondContact O-CB 3.08Å; R167-H171 PolarHBondContact O-N 3Å; R168-H171 PolarHBondContact O-N 3.15Å
172Q70.9Confident69.1Low148 Ų148124.5 Ų124.569%0.69263%0.626SS**Hα-helixtrans-74.8-37.4175.4-170.3169.26700112R168 T169 L170R168-Q172 WeakPolarHBondContact O-CB 3.42Å; R168-Q172 PolarHBondContact O-N 3.03Å; T169-Q172 PolarHBondContact O-N 3.19Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 2.75Å
173N69.9Low68.6Low123 Ų123126 Ų12666%0.65864%0.637SS**Hα-helixtrans-82.4-17.5179.6-67-21.2000114T169 L170T169-N173 WeakPolarHBondContact O-CB 3.35Å; T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 3.36Å; T169-N173 PolarHBondContact O-ND2 3.41Å; L170-N173 PolarHBondContact O-N 3.06Å
174G59.6Low68.7Low61 Ų61131.1 Ų131.163%0.62965%0.654SS**THydrogen-bonded Turntrans-91.91.8176.500000115L170L170-G174 PolarHBondContact O-N 3.28Å
175N57Low68.1Low128 Ų128138.8 Ų138.868%0.68469%0.685SS**  trans-106.332.8178.4-98.96.9000111.9
176V51.9Low67.4Low192 Ų192139.2 Ų139.2100%1.16469%0.691SS**  trans-116.10170.21790000108.9

Retrieved 176 of 176 residues in 127.3 ms (Link to these results)

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