A0A096MDW5_POEFO Loading...

Synaptogyrin

AlphaFold DB , UniProt , Accession A0A096MDW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 233 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
1M41.8Very low54.7Low245 Ų24589.5 Ų89.5100%1.20750%0.503SS*.  094.50-79.2-173-100.900107.7
2E45Very low54.7Low194 Ų19486.2 Ų86.291%0.90750%0.495SS*.  trans-67.4135.3175.2-63.8-173.5130.400109.3M4E2-M4 PolarHBondContact O-N 2.65Å
3G50.7Low54.8Low44 Ų4485.7 Ų85.745%0.45452%0.52SS..  trans-63.7107-176.100000111.3Q5G3-Q5 PolarHBondContact O-N 2.93Å
4M52.6Low55.3Low92 Ų9283.9 Ų83.945%0.45353%0.528SS..  trans-61.9125.7175.9-170.9126.2-113.700110.7E2 A6 V99 R102 S183E2-M4 PolarHBondContact O-N 2.65Å; M4-A6 PolarHBondContact O-N 2.96Å; M4-V99 HydrophobicContact CB-CG2 4.29Å; M4-V99 HydrophobicContact CG-CG2 4.33Å; M4-R102 PolarHBondContact O-NH1 2.95Å; M4-S183 WeakPolarHBondContact SD-CB 3.49Å
5Q58.3Low56.3Low125 Ų12585.3 Ų85.358%0.58455%0.551SS**  trans-83.799.5178.1-132.8166.8-13.100108.3G3 A9G3-Q5 PolarHBondContact O-N 2.93Å; Q5-A9 WeakPolarHBondContact CG-O 3.32Å
6A60.5Low57.3Low1 Ų187.5 Ų87.51%0.00855%0.549CS..  trans-137.2143.1-179.300000109.7M4 V99 R102M4-A6 PolarHBondContact O-N 2.96Å; A6-V99 HydrophobicContact CB-CG1 4.22Å; A6-V99 HydrophobicContact CB-CG2 4.3Å; A6-R102 PolarHBondContact O-NH1 3.03Å
7Y59Low58.6Low7 Ų786.9 Ų86.93%0.02754%0.541CS..THydrogen-bonded Turntrans65.528.7-177.2-55.1-81.2000115.1A9 V99 R102 K103 V106 R172 Y173 G176Y7-A9 PolarHBondContact O-N 3.26Å; Y7-V99 HydrophobicContact CE2-CG1 3.96Å; Y7-R102 HydrophobicContact CD2-CB 3.75Å; Y7-R102 HydrophobicContact CE2-CB 4.29Å; Y7-R102 HydrophobicContact CG-CB 4.49Å; Y7-K103 HydrophobicContact CE2-CB 4.05Å; Y7-K103 WeakPolarHBondContact OH-CB 3.43Å; Y7-K103 WeakPolarHBondContact OH-CG 3.39Å; Y7-V106 HydrophobicContact CD1-CG2 4.15Å; Y7-V106 HydrophobicContact CG-CG2 4.35Å; Y7-R172 WeakPolarHBondContact O-CG 3.4Å; Y7-Y173 HydrophobicContact CE1-CD2 4.14Å; Y7-G176 VanDerWaalsContact CD1-CA 3.5Å
8G59.1Low59.7Low75 Ų7585.7 Ų85.777%0.77354%0.535SS*.THydrogen-bonded Turntrans73.68.217700000115.1
9A59.2Low60.7Low6 Ų685.8 Ų85.85%0.0554%0.535CS..PPolyproline II helixtrans-74135.4173.300000110.7Q5 Y7 F93Q5-A9 WeakPolarHBondContact CG-O 3.32Å; Y7-A9 PolarHBondContact O-N 3.26Å; A9-F93 HydrophobicContact CB-CD1 4.12Å; A9-F93 HydrophobicContact CB-CE1 4.06Å
10G59.3Low61.5Low37 Ų3785.3 Ų85.338%0.38153%0.531SS..PPolyproline II helixtrans-63.5171.7168.500000112.2A12G10-A12 PolarHBondContact O-N 3.38Å
11K56Low62.4Low159 Ų15982.4 Ų82.469%0.69151%0.511SS*.PPolyproline II helixtrans-56.1130.7171.5-71.9-174.5178.3-177.70109.2G13 G14K11-G13 PolarHBondContact O-N 2.76Å; K11-G14 PolarHBondContact O-N 2.86Å
12A55.5Low64.3Low49 Ų4975.2 Ų75.241%0.40548%0.477SS..THydrogen-bonded Turntrans-58.8128.8176.400000109.5G10G10-A12 PolarHBondContact O-N 3.38Å
13G55.2Low66.1Low80 Ų8072.2 Ų72.283%0.82546%0.463SS*.THydrogen-bonded Turntrans1023.8179.300000116.7K11K11-G13 PolarHBondContact O-N 2.76Å
14G62.6Low67.7Low61 Ų6173.5 Ų73.563%0.62946%0.457SS*.PPolyproline II helixtrans-68.8155.2170.300000113.2K11 F16K11-G14 PolarHBondContact O-N 2.86Å; G14-F16 PolarHBondContact O-N 3.22Å
15A69.1Low69.5Low105 Ų10573.2 Ų73.287%0.86846%0.462SS*.PPolyproline II helixtrans-60.6133.1174.200000110.6D17A15-D17 PolarHBondContact O-N 2.82Å
16F73.4Confident70.9Confident120 Ų12067.8 Ų67.853%0.52644%0.437SS..PPolyproline II helixtrans-69.8118.2174.7180-106000109.1G14 P18 F21 V91G14-F16 PolarHBondContact O-N 3.22Å; F16-P18 HydrophobicContact CD1-CG 3.88Å; F16-P18 HydrophobicContact CE1-CB 3.95Å; F16-P18 HydrophobicContact CE1-CG 3.73Å; F16-P18 WeakPolarHBondContact O-CD 3.47Å; F16-F21 HydrophobicContact CE2-CB 4.15Å; F16-F21 HydrophobicContact CE2-CD2 4.26Å; F16-F21 HydrophobicContact CE2-CG 4.08Å; F16-F21 HydrophobicContact CZ-CB 4.14Å; F16-F21 HydrophobicContact CZ-CD1 4.18Å; F16-F21 HydrophobicContact CZ-CG 4.08Å; F16-V91 HydrophobicContact CE2-CG1 4.4Å; F16-V91 HydrophobicContact CZ-CG2 4.49Å
17D79.1Confident72.3Confident77 Ų7767.8 Ų67.841%0.41244%0.437SS..  trans-102.2104.1171.1177.611.7000109.8A15 V19 T20 F21A15-D17 PolarHBondContact O-N 2.82Å; D17-V19 PolarHBondContact O-N 3.29Å; D17-V19 PolarHBondContact OD1-N 3.06Å; D17-T20 PolarHBondContact O-N 3.19Å; D17-T20 WeakPolarHBondContact OD2-CB 3.38Å; D17-T20 PolarHBondContact OD2-OG1 3.03Å; D17-F21 PolarHBondContact O-N 3.03Å; D17-F21 VanDerWaalsContact O-N 3.15Å
18P78.1Confident73.9Confident66 Ų6671.3 Ų71.343%0.42946%0.455SS..Hα-helixtrans-60.7-31.3-179-19.329.6000113.2F16 F21 L22F16-P18 HydrophobicContact CD1-CG 3.88Å; F16-P18 HydrophobicContact CE1-CB 3.95Å; F16-P18 HydrophobicContact CE1-CG 3.73Å; F16-P18 WeakPolarHBondContact O-CD 3.47Å; P18-F21 PolarHBondContact O-N 3.32Å; P18-L22 VanDerWaalsContact O-CG 3.31Å; P18-L22 WeakPolarHBondContact O-CG 3.47Å; P18-L22 PolarHBondContact O-N 3.07Å
19V78.9Confident75.6Confident88 Ų8869.8 Ų69.853%0.53343%0.429SS..Hα-helixtrans-70.8-49-175179.50000109.8D17 F21 L22 Q23D17-V19 PolarHBondContact O-N 3.29Å; D17-V19 PolarHBondContact OD1-N 3.06Å; V19-F21 VanDerWaalsContact C-N 3.26Å; V19-F21 PolarHBondContact O-N 2.88Å; V19-L22 PolarHBondContact O-N 3.32Å; V19-Q23 WeakPolarHBondContact O-CG 3.47Å; V19-Q23 PolarHBondContact O-N 2.83Å; V19-Q23 VanDerWaalsContact O-N 3.12Å
20T77.6Confident77.3Confident74 Ų7469.5 Ų69.545%0.45443%0.427SS..Hα-helixtrans-64.2-33.8176.6-58.10000111.6D17 Q23 Q24D17-T20 PolarHBondContact O-N 3.19Å; D17-T20 WeakPolarHBondContact OD2-CB 3.38Å; D17-T20 PolarHBondContact OD2-OG1 3.03Å; T20-Q23 PolarHBondContact O-N 3.34Å; T20-Q24 WeakPolarHBondContact O-CG 2.9Å
21F79.8Confident79Confident26 Ų2670.3 Ų70.311%0.11442%0.421CS..Hα-helixtrans-63.5-45.5174.6177.7-102.3000112.7F16 D17 P18 V19 Q23 Q24 T27 D90 V91F16-F21 HydrophobicContact CE2-CB 4.15Å; F16-F21 HydrophobicContact CE2-CD2 4.26Å; F16-F21 HydrophobicContact CE2-CG 4.08Å; F16-F21 HydrophobicContact CZ-CB 4.14Å; F16-F21 HydrophobicContact CZ-CD1 4.18Å; F16-F21 HydrophobicContact CZ-CG 4.08Å; D17-F21 PolarHBondContact O-N 3.03Å; D17-F21 VanDerWaalsContact O-N 3.15Å; P18-F21 PolarHBondContact O-N 3.32Å; V19-F21 VanDerWaalsContact C-N 3.26Å; V19-F21 PolarHBondContact O-N 2.88Å; F21-Q23 VanDerWaalsContact C-N 3.27Å; F21-Q23 PolarHBondContact O-N 3.24Å; F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 2.63Å; F21-T27 HydrophobicContact CD1-CG2 3.94Å; F21-T27 HydrophobicContact CE1-CG2 3.5Å; F21-T27 VanDerWaalsContact CE1-CG2 3.5Å; F21-T27 HydrophobicContact CE2-CG2 4.48Å; F21-T27 HydrophobicContact CZ-CG2 3.81Å; F21-T27 WeakPolarHBondContact O-CB 3.24Å; F21-T27 PolarHBondContact O-OG1 2.83Å; F21-D90 HydrophobicContact CE2-CB 3.9Å; F21-D90 HydrophobicContact CZ-CB 3.97Å; F21-V91 HydrophobicContact CE1-CG2 4.12Å; F21-V91 HydrophobicContact CE2-CG2 4.25Å; F21-V91 HydrophobicContact CZ-CG2 3.77Å
22L81.5Confident80.9Confident93 Ų9364.8 Ų64.849%0.48740%0.401SS..Hα-helixtrans-69.8-23.3179.2-71.5173.5000113.2P18 V19 Q24 T27 I28 I31P18-L22 VanDerWaalsContact O-CG 3.31Å; P18-L22 WeakPolarHBondContact O-CG 3.47Å; P18-L22 PolarHBondContact O-N 3.07Å; V19-L22 PolarHBondContact O-N 3.32Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-T27 HydrophobicContact CD2-CG2 4.45Å; L22-I28 VanDerWaalsContact O-CG1 3.25Å; L22-I28 WeakPolarHBondContact O-CG1 3.37Å; L22-I31 HydrophobicContact CD2-CD1 3.71Å
23Q83.1Confident82.9Confident132 Ų13262.4 Ų62.462%0.61738%0.382SS*.THydrogen-bonded Turntrans-79.1-11175.9-72.7175.8-6.700113.6V19 T20 F21 P25V19-Q23 WeakPolarHBondContact O-CG 3.47Å; V19-Q23 PolarHBondContact O-N 2.83Å; V19-Q23 VanDerWaalsContact O-N 3.12Å; T20-Q23 PolarHBondContact O-N 3.34Å; F21-Q23 VanDerWaalsContact C-N 3.27Å; F21-Q23 PolarHBondContact O-N 3.24Å; Q23-P25 WeakPolarHBondContact O-CD 3.12Å
24Q84.4Confident84.9Confident71 Ų7162.3 Ų62.333%0.33236%0.356SS..SBendtrans-67.4127.8178.9-63.4-173.42.800110.3T20 F21 L22 Q26 T27 I28T20-Q24 WeakPolarHBondContact O-CG 2.9Å; F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 2.63Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; Q24-Q26 PolarHBondContact O-N 3.43Å; Q24-Q26 VanDerWaalsContact O-N 3.12Å; Q24-T27 WeakPolarHBondContact O-CB 3.33Å; Q24-T27 PolarHBondContact O-N 2.91Å; Q24-I28 WeakPolarHBondContact O-CG1 3.39Å; Q24-I28 PolarHBondContact O-N 3.5Å
25P89.1Confident86.5Confident86 Ų8663.3 Ų63.356%0.55835%0.347SS*.Hα-helixtrans-55.1-35.7-179.2-28.134.9000113.7Q23 I28 L29 L168Q23-P25 WeakPolarHBondContact O-CD 3.12Å; P25-I28 PolarHBondContact O-N 3.12Å; P25-L29 WeakPolarHBondContact O-CG 3.09Å; P25-L29 PolarHBondContact O-N 3.5Å; P25-L29 VanDerWaalsContact O-N 3.07Å; P25-L168 HydrophobicContact CB-CD1 4.02Å
26Q88.7Confident87.9Confident11 Ų1160 Ų605%0.05131%0.313CS..Hα-helixtrans-64.8-44.9176.5-178.1169.8-3.100112.1Q24 L29 R30 D109 L168Q24-Q26 PolarHBondContact O-N 3.43Å; Q24-Q26 VanDerWaalsContact O-N 3.12Å; Q26-L29 PolarHBondContact O-N 2.89Å; Q26-R30 WeakPolarHBondContact O-CG 3.04Å; Q26-R30 PolarHBondContact O-N 2.95Å; Q26-D109 PolarHBondContact NE2-OD2 3.13Å; Q26-L168 HydrophobicContact CB-CD1 4.26Å
27T90.1Very high89.1Confident1 Ų154.2 Ų54.21%0.00629%0.288CS..Hα-helixtrans-63.8-41.2176.7-54.20000111.3F21 L22 Q24 L29 R30 I31 L87F21-T27 HydrophobicContact CD1-CG2 3.94Å; F21-T27 HydrophobicContact CE1-CG2 3.5Å; F21-T27 VanDerWaalsContact CE1-CG2 3.5Å; F21-T27 HydrophobicContact CE2-CG2 4.48Å; F21-T27 HydrophobicContact CZ-CG2 3.81Å; F21-T27 WeakPolarHBondContact O-CB 3.24Å; F21-T27 PolarHBondContact O-OG1 2.83Å; L22-T27 HydrophobicContact CD2-CG2 4.45Å; Q24-T27 WeakPolarHBondContact O-CB 3.33Å; Q24-T27 PolarHBondContact O-N 2.91Å; T27-L29 PolarHBondContact O-N 3.39Å; T27-R30 WeakPolarHBondContact O-CB 3.44Å; T27-R30 PolarHBondContact O-N 3Å; T27-I31 HydrophobicContact CG2-CD1 4.08Å; T27-I31 WeakPolarHBondContact O-CG1 3.45Å; T27-I31 PolarHBondContact O-N 3.34Å; T27-L87 HydrophobicContact CG2-CD2 4.34Å
28I92.8Very high89.9Confident81 Ų8153.1 Ų53.142%0.41528%0.281SS..Hα-helixtrans-58.8-49.8176.2-64.6170.1000110L22 Q24 P25 R30 I31 V32L22-I28 VanDerWaalsContact O-CG1 3.25Å; L22-I28 WeakPolarHBondContact O-CG1 3.37Å; Q24-I28 WeakPolarHBondContact O-CG1 3.39Å; Q24-I28 PolarHBondContact O-N 3.5Å; P25-I28 PolarHBondContact O-N 3.12Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 2.82Å; I28-I31 PolarHBondContact O-N 2.9Å; I28-V32 HydrophobicContact CG2-CG2 4.42Å; I28-V32 WeakPolarHBondContact O-CG2 3.38Å; I28-V32 PolarHBondContact O-N 3.25Å
29L94.5Very high90.9Very high43 Ų4352.3 Ų52.323%0.22528%0.275CS..Hα-helixtrans-62.4-35.8178.1-70.7-177.8000112.7P25 Q26 T27 V32 S33 T161 Q165 L168P25-L29 WeakPolarHBondContact O-CG 3.09Å; P25-L29 PolarHBondContact O-N 3.5Å; P25-L29 VanDerWaalsContact O-N 3.07Å; Q26-L29 PolarHBondContact O-N 2.89Å; T27-L29 PolarHBondContact O-N 3.39Å; L29-V32 PolarHBondContact O-N 2.03Å; L29-S33 WeakPolarHBondContact O-CB 3.42Å; L29-S33 PolarHBondContact O-N 2.76Å; L29-S33 PolarHBondContact O-OG 3.4Å; L29-T161 HydrophobicContact CD2-CG2 4.45Å; L29-Q165 HydrophobicContact CB-CG 3.62Å; L29-Q165 HydrophobicContact CD1-CG 4.22Å; L29-L168 HydrophobicContact CD1-CD1 3.8Å
30R94.3Very high91.7Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-59.8-47173.5-67.8-101.2-162.6-124.9-1.9111.8Q26 T27 I28 V32 S33 W34 L87 D90 D109Q26-R30 WeakPolarHBondContact O-CG 3.04Å; Q26-R30 PolarHBondContact O-N 2.95Å; T27-R30 WeakPolarHBondContact O-CB 3.44Å; T27-R30 PolarHBondContact O-N 3Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 2.82Å; R30-V32 VanDerWaalsContact C-N 3.34Å; R30-S33 PolarHBondContact O-N 3.03Å; R30-W34 VanDerWaalsContact O-CB 3.27Å; R30-W34 WeakPolarHBondContact O-CB 3.37Å; R30-W34 PolarHBondContact O-N 2.93Å; R30-L87 HydrophobicContact CB-CD2 3.75Å; R30-L87 HydrophobicContact CB-CG 4.18Å; R30-L87 HydrophobicContact CG-CD2 4.46Å; R30-D90 IonicContact CZ-OD2 3.77Å; R30-D90 IonicContact NE-OD2 2.8Å; R30-D90 PolarHBondContact NE-OD2 3.46Å; R30-D90 IonicContact NH2-OD1 2.88Å; R30-D90 PolarHBondContact NH2-OD1 3.38Å; R30-D90 IonicContact NH2-OD2 3.24Å; R30-D109 IonicContact CZ-OD1 3.74Å; R30-D109 VanDerWaalsContact CZ-OD1 3.24Å; R30-D109 IonicContact CZ-OD2 2.82Å; R30-D109 IonicContact NH1-OD1 2.77Å; R30-D109 PolarHBondContact NH1-OD1 3.21Å; R30-D109 IonicContact NH2-OD1 2.63Å; R30-D109 PolarHBondContact NH2-OD1 2.75Å; R30-D109 IonicContact NH2-OD2 3.4Å; R30-D109 PolarHBondContact NH2-OD2 3.16Å
31I94.9Very high92.7Very high53 Ų5347 Ų4727%0.27224%0.239SC..Hα-helixtrans-64.5-41.9179.3-66166.9000110.1L22 T27 I28 W34 L35 L87L22-I31 HydrophobicContact CD2-CD1 3.71Å; T27-I31 HydrophobicContact CG2-CD1 4.08Å; T27-I31 WeakPolarHBondContact O-CG1 3.45Å; T27-I31 PolarHBondContact O-N 3.34Å; I28-I31 PolarHBondContact O-N 2.9Å; I31-W34 WeakPolarHBondContact O-CB 3.16Å; I31-W34 PolarHBondContact O-N 3.1Å; I31-L35 HydrophobicContact CG2-CD1 4.29Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 3.48Å; I31-L87 HydrophobicContact CG1-CD2 4.29Å
32V96.6Very high93.5Very high43 Ų4346.5 Ų46.526%0.26124%0.24SC..Hα-helixtrans-63.7-47.4176.8177.90000111.2I28 L29 R30 W34 L35 F36 T161I28-V32 HydrophobicContact CG2-CG2 4.42Å; I28-V32 WeakPolarHBondContact O-CG2 3.38Å; I28-V32 PolarHBondContact O-N 3.25Å; L29-V32 PolarHBondContact O-N 2.03Å; R30-V32 VanDerWaalsContact C-N 3.34Å; V32-W34 VanDerWaalsContact C-N 3.27Å; V32-W34 PolarHBondContact O-N 3.12Å; V32-L35 PolarHBondContact O-N 3.22Å; V32-F36 HydrophobicContact CG1-CD1 4.25Å; V32-F36 HydrophobicContact CG1-CD2 4.14Å; V32-F36 HydrophobicContact CG1-CE1 3.75Å; V32-F36 HydrophobicContact CG1-CE2 3.64Å; V32-F36 HydrophobicContact CG1-CG 4.45Å; V32-F36 HydrophobicContact CG1-CZ 3.43Å; V32-F36 VanDerWaalsContact CG1-CZ 3.43Å; V32-F36 WeakPolarHBondContact O-CG 3.01Å; V32-F36 PolarHBondContact O-N 3.37Å; V32-T161 HydrophobicContact CB-CG2 4.44Å; V32-T161 HydrophobicContact CG1-CG2 3.76Å
33S96.7Very high94.2Very high0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-59.7-38.1175.3-70.40000112.2L29 R30 F36 S37 T161 Q165L29-S33 WeakPolarHBondContact O-CB 3.42Å; L29-S33 PolarHBondContact O-N 2.76Å; L29-S33 PolarHBondContact O-OG 3.4Å; R30-S33 PolarHBondContact O-N 3.03Å; S33-F36 PolarHBondContact O-N 3.1Å; S33-S37 WeakPolarHBondContact O-CB 3.32Å; S33-S37 PolarHBondContact O-N 2.95Å; S33-S37 PolarHBondContact O-OG 2.93Å; S33-T161 WeakPolarHBondContact OG-CB 3.14Å; S33-T161 PolarHBondContact OG-OG1 3.21Å; S33-Q165 PolarHBondContact OG-OE1 3.34Å
34W97.1Very high94.8Very high77 Ų7737.3 Ų37.329%0.29220%0.198SC..Hα-helixtrans-63.4-46.9174.9179.670.8000112R30 I31 V32 S37 I38 F80 C83R30-W34 VanDerWaalsContact O-CB 3.27Å; R30-W34 WeakPolarHBondContact O-CB 3.37Å; R30-W34 PolarHBondContact O-N 2.93Å; I31-W34 WeakPolarHBondContact O-CB 3.16Å; I31-W34 PolarHBondContact O-N 3.1Å; V32-W34 VanDerWaalsContact C-N 3.27Å; V32-W34 PolarHBondContact O-N 3.12Å; W34-S37 WeakPolarHBondContact O-CB 3.4Å; W34-S37 PolarHBondContact O-N 3.31Å; W34-I38 HydrophobicContact CD2-CD1 3.86Å; W34-I38 HydrophobicContact CE3-CD1 4.04Å; W34-I38 HydrophobicContact CH2-CD1 3.84Å; W34-I38 HydrophobicContact CZ2-CD1 3.65Å; W34-I38 HydrophobicContact CZ3-CD1 4.03Å; W34-I38 WeakPolarHBondContact O-CG1 3.31Å; W34-I38 PolarHBondContact O-N 2.97Å; W34-I38 VanDerWaalsContact O-N 3.1Å; W34-F80 AromaticContact CD1-CD2 3.52Å; W34-F80 AromaticContact CD1-CE2 3.85Å; W34-F80 AromaticContact CE2-CE2 3.58Å; W34-F80 AromaticContact CZ2-CE2 3.84Å; W34-F80 HydrophobicContact CZ2-CE2 3.84Å; W34-F80 AromaticContact NE1-CD2 3.12Å; W34-F80 AromaticContact NE1-CE2 2.94Å; W34-F80 AromaticContact NE1-CZ 3.85Å; W34-C83 HydrophobicContact CB-CB 3.8Å; W34-C83 HydrophobicContact CG-CB 4.22Å
35L97.8Very high95.4Very high83 Ų8336.3 Ų36.344%0.43520%0.202SC..Hα-helixtrans-61.5-44.7175.4-71173.9000112I31 V32 S37 I38 V39I31-L35 HydrophobicContact CG2-CD1 4.29Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 3.48Å; V32-L35 PolarHBondContact O-N 3.22Å; L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.3Å; L35-I38 WeakPolarHBondContact O-CB 3.34Å; L35-I38 PolarHBondContact O-N 2.92Å; L35-V39 WeakPolarHBondContact O-CG2 3.01Å; L35-V39 PolarHBondContact O-N 3.05Å
36F98Very high95.7Very high34 Ų3438.6 Ų38.615%0.14921%0.209CC..Hα-helixtrans-60-41.8176.7-69.2-6000111.5V32 S33 I38 V39 I40 F154 F157 T161V32-F36 HydrophobicContact CG1-CD1 4.25Å; V32-F36 HydrophobicContact CG1-CD2 4.14Å; V32-F36 HydrophobicContact CG1-CE1 3.75Å; V32-F36 HydrophobicContact CG1-CE2 3.64Å; V32-F36 HydrophobicContact CG1-CG 4.45Å; V32-F36 HydrophobicContact CG1-CZ 3.43Å; V32-F36 VanDerWaalsContact CG1-CZ 3.43Å; V32-F36 WeakPolarHBondContact O-CG 3.01Å; V32-F36 PolarHBondContact O-N 3.37Å; S33-F36 PolarHBondContact O-N 3.1Å; F36-I38 VanDerWaalsContact C-N 3.33Å; F36-I38 PolarHBondContact O-N 3.07Å; F36-V39 PolarHBondContact O-N 3.25Å; F36-I40 WeakPolarHBondContact O-CD1 3.47Å; F36-I40 WeakPolarHBondContact O-CG1 3.35Å; F36-I40 PolarHBondContact O-N 3.21Å; F36-F154 AromaticContact CD1-CD1 3.4Å; F36-F154 HydrophobicContact CD1-CD1 3.4Å; F36-F154 AromaticContact CD1-CE1 3.76Å; F36-F154 HydrophobicContact CD1-CE1 3.76Å; F36-F154 AromaticContact CE1-CD1 3.65Å; F36-F154 HydrophobicContact CE1-CD1 3.65Å; F36-F154 AromaticContact CE1-CE1 3.7Å; F36-F154 HydrophobicContact CE1-CE1 3.7Å; F36-F154 HydrophobicContact CG-CD1 4.01Å; F36-F154 HydrophobicContact CZ-CD1 4.43Å; F36-F157 HydrophobicContact CD2-CB 4.4Å; F36-F157 HydrophobicContact CE2-CB 3.69Å; F36-F157 HydrophobicContact CZ-CB 4.06Å; F36-T161 HydrophobicContact CD2-CG2 4.1Å; F36-T161 HydrophobicContact CE2-CG2 3.6Å
37S97.4Very high95.9Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-58.3-46.3176.2-53.90000111.2S33 W34 L35 I40 F41 A79S33-S37 WeakPolarHBondContact O-CB 3.32Å; S33-S37 PolarHBondContact O-N 2.95Å; S33-S37 PolarHBondContact O-OG 2.93Å; W34-S37 WeakPolarHBondContact O-CB 3.4Å; W34-S37 PolarHBondContact O-N 3.31Å; L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.3Å; S37-I40 PolarHBondContact O-N 3.2Å; S37-F41 WeakPolarHBondContact O-CD1 3.21Å; S37-F41 PolarHBondContact O-N 2.83Å; S37-A79 WeakPolarHBondContact OG-CB 3.38Å
38I97.1Very high96Very high54 Ų5443.1 Ų43.128%0.27723%0.231SC..Hα-helixtrans-58.3-48.4176.5-67.1164.2000111.7W34 L35 F36 I40 F41 G42 F80W34-I38 HydrophobicContact CD2-CD1 3.86Å; W34-I38 HydrophobicContact CE3-CD1 4.04Å; W34-I38 HydrophobicContact CH2-CD1 3.84Å; W34-I38 HydrophobicContact CZ2-CD1 3.65Å; W34-I38 HydrophobicContact CZ3-CD1 4.03Å; W34-I38 WeakPolarHBondContact O-CG1 3.31Å; W34-I38 PolarHBondContact O-N 2.97Å; W34-I38 VanDerWaalsContact O-N 3.1Å; L35-I38 WeakPolarHBondContact O-CB 3.34Å; L35-I38 PolarHBondContact O-N 2.92Å; F36-I38 VanDerWaalsContact C-N 3.33Å; F36-I38 PolarHBondContact O-N 3.07Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.12Å; I38-F41 VanDerWaalsContact CA-CE1 3.44Å; I38-F41 HydrophobicContact CB-CE1 4.26Å; I38-F41 HydrophobicContact CG1-CE1 4.07Å; I38-F41 HydrophobicContact CG1-CZ 4.44Å; I38-G42 WeakPolarHBondContact O-CA 3.35Å; I38-G42 PolarHBondContact O-N 3.37Å; I38-F80 HydrophobicContact CD1-CD2 4.1Å; I38-F80 HydrophobicContact CD1-CE2 3.98Å; I38-F80 HydrophobicContact CG1-CD2 3.63Å; I38-F80 HydrophobicContact CG1-CE2 3.91Å
39V97.7Very high96Very high48 Ų4842.3 Ų42.329%0.29122%0.223SC..Hα-helixtrans-62.2-44.9-179.6176.60000110.5L35 F36 C43 F154L35-V39 WeakPolarHBondContact O-CG2 3.01Å; L35-V39 PolarHBondContact O-N 3.05Å; F36-V39 PolarHBondContact O-N 3.25Å; V39-C43 WeakPolarHBondContact O-CB 3.4Å; V39-C43 PolarHBondContact O-N 3.44Å; V39-C43 PolarHBondContact O-SG 3.06Å; V39-F154 HydrophobicContact CB-CD2 4.24Å; V39-F154 HydrophobicContact CB-CG 4.33Å; V39-F154 HydrophobicContact CG1-CD2 3.38Å; V39-F154 HydrophobicContact CG1-CE2 3.61Å; V39-F154 HydrophobicContact CG1-CG 3.93Å; V39-F154 HydrophobicContact CG1-CZ 4.3Å
40I97.6Very high95.9Very high0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-63.6-56.1-177.2-65160.1000111.4F36 S37 I38 G42 I44 W120 F154F36-I40 WeakPolarHBondContact O-CD1 3.47Å; F36-I40 WeakPolarHBondContact O-CG1 3.35Å; F36-I40 PolarHBondContact O-N 3.21Å; S37-I40 PolarHBondContact O-N 3.2Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.12Å; I40-G42 VanDerWaalsContact C-N 3.33Å; I40-G42 PolarHBondContact O-N 2.86Å; I40-I44 HydrophobicContact CG2-CD1 4.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.37Å; I40-I44 PolarHBondContact O-N 3.47Å; I40-W120 HydrophobicContact CB-CH2 4.32Å; I40-W120 HydrophobicContact CD1-CE3 4.14Å; I40-W120 HydrophobicContact CD1-CH2 3.47Å; I40-W120 VanDerWaalsContact CD1-CH2 3.47Å; I40-W120 HydrophobicContact CD1-CZ2 4.11Å; I40-W120 HydrophobicContact CD1-CZ3 3.5Å; I40-W120 HydrophobicContact CG1-CH2 4.48Å; I40-W120 HydrophobicContact CG2-CH2 3.99Å; I40-W120 HydrophobicContact CG2-CZ3 3.97Å; I40-F154 HydrophobicContact CD1-CB 4.07Å; I40-F154 HydrophobicContact CG1-CB 3.68Å
41F96.8Very high95.7Very high52 Ų5244.6 Ų44.623%0.22824%0.236CC..Hα-helixtrans-69.5-34.8-178.680.9-107.5000111.3S37 I38 I44 A45 F80S37-F41 WeakPolarHBondContact O-CD1 3.21Å; S37-F41 PolarHBondContact O-N 2.83Å; I38-F41 VanDerWaalsContact CA-CE1 3.44Å; I38-F41 HydrophobicContact CB-CE1 4.26Å; I38-F41 HydrophobicContact CG1-CE1 4.07Å; I38-F41 HydrophobicContact CG1-CZ 4.44Å; F41-I44 PolarHBondContact O-N 3.39Å; F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 3.28Å; F41-F80 HydrophobicContact CD1-CB 4.5Å; F41-F80 HydrophobicContact CE1-CB 4.05Å; F41-F80 HydrophobicContact CE1-CD2 4.25Å; F41-F80 HydrophobicContact CE1-CG 4.16Å
42G96.7Very high95.3Very high15 Ų1545.3 Ų45.316%0.15524%0.235CC..Hα-helixtrans-66.4-44.6-179.400000112.6I38 I40 I44 N46I38-G42 WeakPolarHBondContact O-CA 3.35Å; I38-G42 PolarHBondContact O-N 3.37Å; I40-G42 VanDerWaalsContact C-N 3.33Å; I40-G42 PolarHBondContact O-N 2.86Å; G42-I44 PolarHBondContact O-N 3.48Å; G42-N46 WeakPolarHBondContact O-CB 3.45Å; G42-N46 PolarHBondContact O-N 2.9Å; G42-N46 VanDerWaalsContact O-N 3.12Å; G42-N46 PolarHBondContact O-ND2 3.05Å
43C96.6Very high94.7Very high29 Ų2947.2 Ų47.220%0.19625%0.248CC..Hα-helixtrans-60.7-45.1174.9-75.50000111.5V39 E47 G48 A147 A151V39-C43 WeakPolarHBondContact O-CB 3.4Å; V39-C43 PolarHBondContact O-N 3.44Å; V39-C43 PolarHBondContact O-SG 3.06Å; C43-E47 PolarHBondContact O-N 3.1Å; C43-G48 PolarHBondContact O-N 3.38Å; C43-A147 HydrophobicContact CB-CB 3.96Å; C43-A151 HydrophobicContact CB-CB 4.38Å
44I96.6Very high94.1Very high2 Ų254.9 Ų54.91%0.0129%0.289CS..Hα-helixtrans-73.7-39.5-177.8-60.6174.6000111.7I40 F41 G42 N46 G48 F62 C69 V73 L127 A151I40-I44 HydrophobicContact CG2-CD1 4.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.37Å; I40-I44 PolarHBondContact O-N 3.47Å; F41-I44 PolarHBondContact O-N 3.39Å; G42-I44 PolarHBondContact O-N 3.48Å; I44-N46 PolarHBondContact O-N 3.49Å; I44-G48 WeakPolarHBondContact O-CA 3.23Å; I44-G48 PolarHBondContact O-N 2.88Å; I44-F62 HydrophobicContact CD1-CE2 4.1Å; I44-F62 HydrophobicContact CG1-CE2 4.17Å; I44-C69 HydrophobicContact CG2-CB 3.74Å; I44-V73 HydrophobicContact CB-CG2 4.13Å; I44-V73 HydrophobicContact CG2-CG2 3.68Å; I44-L127 HydrophobicContact CD1-CD1 4.46Å; I44-A151 HydrophobicContact CD1-CB 3.92Å; I44-A151 HydrophobicContact CG1-CB 3.78Å
45A96.1Very high93.5Very high50 Ų5054 Ų5441%0.41329%0.288SS..Hα-helixtrans-69-33.8-178.700000112.8F41 V73F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 3.28Å; A45-V73 HydrophobicContact CB-CG2 4.32Å
46N94.8Very high93Very high135 Ų13556.8 Ų56.872%0.72231%0.308SS*.Hα-helixtrans-91.6-39.8-177.4-66.1-37.2000113.2G42 I44G42-N46 WeakPolarHBondContact O-CB 3.45Å; G42-N46 PolarHBondContact O-N 2.9Å; G42-N46 VanDerWaalsContact O-N 3.12Å; G42-N46 PolarHBondContact O-ND2 3.05Å; I44-N46 PolarHBondContact O-N 3.49Å
47E92.8Very high92.5Very high103 Ų10361.2 Ų61.248%0.48133%0.33SS..Hα-helixtrans-125.95-171.5-64.1-178.4-152.700112.9C43 A147C43-E47 PolarHBondContact O-N 3.1Å; E47-A147 HydrophobicContact CB-CB 3.72Å; E47-A147 HydrophobicContact CG-CB 4.37Å; E47-A147 VanDerWaalsContact OE2-CB 3.24Å; E47-A147 WeakPolarHBondContact OE2-CB 3.25Å
48G92.1Very high92.1Very high3 Ų367.2 Ų67.23%0.03136%0.357CS..SBendtrans-82.7-11.5-178.900000114.3C43 I44 C60 I61 C69C43-G48 PolarHBondContact O-N 3.38Å; I44-G48 WeakPolarHBondContact O-CA 3.23Å; I44-G48 PolarHBondContact O-N 2.88Å; G48-C60 CarbonylContact O-C 3.52Å; G48-C60 WeakPolarHBondContact O-CA 3.39Å; G48-I61 WeakPolarHBondContact O-CB 3.26Å; G48-I61 WeakPolarHBondContact O-CG2 3.07Å; G48-I61 PolarHBondContact O-N 3.35Å; G48-C69 PolarHBondContact O-SG 3.27Å
49Y93.6Very high91.9Very high65 Ų6567.5 Ų67.526%0.25536%0.356SS..EExtended strand (participates in β ladder)trans-113.5119.9179-64.3-92.2000109Y59 Q66 C69 N70Y49-Y59 WeakPolarHBondContact CA-O 3.29Å; Y49-Q66 VanDerWaalsContact CE1-OE1 3.31Å; Y49-C69 HydrophobicContact CE1-CB 4.04Å; Y49-C69 HydrophobicContact CE2-CB 4.01Å; Y49-C69 WeakPolarHBondContact OH-CB 3.17Å; Y49-N70 PolarHBondContact OH-OD1 3.34Å; Y49-N70 VanDerWaalsContact OH-OD1 3.1Å
50I91.7Very high91.7Very high20 Ų2065.3 Ų65.310%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-132146.1-175.258.8168.4000109.9Y59 I61 N139I50-Y59 PolarHBondContact N-O 3.48Å; I50-Y59 PolarHBondContact O-N 2.95Å; I50-Y59 VanDerWaalsContact O-O 3.13Å; I50-I61 HydrophobicContact CD1-CB 4.24Å; I50-I61 HydrophobicContact CD1-CD1 4.25Å; I50-I61 HydrophobicContact CD1-CG1 3.91Å; I50-I61 HydrophobicContact CG1-CB 4.29Å; I50-I61 HydrophobicContact CG1-CG1 4.49Å; I50-I61 HydrophobicContact CG2-CD1 4.48Å; I50-N139 HydrophobicContact CD1-CB 3.56Å
51N90Very high91.6Very high71 Ų7165.8 Ų65.838%0.3835%0.345SS..  trans-106.4154.5171.567.8-26000110.7E55 E57 E58N51-E55 WeakPolarHBondContact CB-O 3.5Å; N51-E55 PolarHBondContact ND2-O 3.46Å; N51-E57 VanDerWaalsContact CB-O 3.32Å; N51-E57 WeakPolarHBondContact CB-O 3.49Å; N51-E58 HydrophobicContact CB-CG 4.41Å
52R86.7Confident91.5Very high68 Ų6863.3 Ų63.326%0.25733%0.334SS..  trans-74154.5166.7-67.3-177.5-174.8156.4-12.8108.7N54 E55 D138R52-N54 PolarHBondContact O-N 2.92Å; R52-E55 HydrophobicContact CB-CB 4.2Å; R52-E55 HydrophobicContact CB-CG 4.23Å; R52-E55 IonicContact CZ-OE1 3.91Å; R52-E55 IonicContact NE-OE1 3.97Å; R52-E55 IonicContact NH1-OE1 3.56Å; R52-E55 PolarHBondContact NH1-OE1 3.09Å; R52-E55 PolarHBondContact O-N 2.69Å; R52-D138 IonicContact CZ-OD1 3.29Å; R52-D138 IonicContact NE-OD1 3.38Å; R52-D138 PolarHBondContact NE-OD1 3.36Å; R52-D138 IonicContact NH2-OD1 3.64Å; R52-D138 PolarHBondContact NH2-OD1 3.49Å
53P83.8Confident91.4Very high82 Ų8265.2 Ų65.253%0.53234%0.341SS..THydrogen-bonded Turntrans-56.1-23.9178.2-26.434.3000114.8P140 L141P53-P140 HydrophobicContact CG-CG 3.77Å; P53-L141 HydrophobicContact CG-CD1 4.38Å
54N84.3Confident91.3Very high162 Ų16266.8 Ų66.887%0.86634%0.342SS*.THydrogen-bonded Turntrans-100.80.2-178.4-57.3-30.7000113.3R52R52-N54 PolarHBondContact O-N 2.92Å
55E86Confident91.2Very high57 Ų5768.6 Ų68.627%0.26635%0.352SS..  trans-121.4138.9-176.6-68.1173.9-166.100109.6N51 R52 R64N51-E55 WeakPolarHBondContact CB-O 3.5Å; N51-E55 PolarHBondContact ND2-O 3.46Å; R52-E55 HydrophobicContact CB-CB 4.2Å; R52-E55 HydrophobicContact CB-CG 4.23Å; R52-E55 IonicContact CZ-OE1 3.91Å; R52-E55 IonicContact NE-OE1 3.97Å; R52-E55 IonicContact NH1-OE1 3.56Å; R52-E55 PolarHBondContact NH1-OE1 3.09Å; R52-E55 PolarHBondContact O-N 2.69Å; E55-R64 IonicContact OE1-NH2 3.92Å; E55-R64 IonicContact OE2-CZ 2.83Å; E55-R64 VanDerWaalsContact OE2-CZ 3.29Å; E55-R64 IonicContact OE2-NH1 2.86Å; E55-R64 PolarHBondContact OE2-NH1 3.39Å; E55-R64 IonicContact OE2-NH2 2.76Å; E55-R64 PolarHBondContact OE2-NH2 2.94Å
56V86.2Confident91.1Very high142 Ų14269.2 Ų69.286%0.86135%0.346SS*.SBendtrans-87-25.4176.5-1770000111.2
57E87.6Confident91.2Very high128 Ų12868.2 Ų68.260%0.59834%0.341SS*.SBendtrans-78.7136.7-178.4-70.1177.8179.400112N51 Y59N51-E57 VanDerWaalsContact CB-O 3.32Å; N51-E57 WeakPolarHBondContact CB-O 3.49Å; E57-Y59 HydrophobicContact CB-CD2 4.4Å; E57-Y59 HydrophobicContact CB-CE2 3.61Å; E57-Y59 WeakPolarHBondContact O-CD2 3.23Å; E57-Y59 PolarHBondContact OE2-OH 3.35Å
58E88.6Confident91.4Very high125 Ų12563.3 Ų63.358%0.58432%0.318SS*.  trans-90.3135.3177.1-61.9176.916500111.4N51 Q66N51-E58 HydrophobicContact CB-CG 4.41Å; E58-Q66 PolarHBondContact O-NE2 2.94Å
59Y92.6Very high91.6Very high61 Ų6163.1 Ų63.124%0.23932%0.317CS..EExtended strand (participates in β ladder)trans-123.1148.8178.6-70.3-93.6000110.4Y49 I50 E57 I61 R64Y49-Y59 WeakPolarHBondContact CA-O 3.29Å; I50-Y59 PolarHBondContact N-O 3.48Å; I50-Y59 PolarHBondContact O-N 2.95Å; I50-Y59 VanDerWaalsContact O-O 3.13Å; E57-Y59 HydrophobicContact CB-CD2 4.4Å; E57-Y59 HydrophobicContact CB-CE2 3.61Å; E57-Y59 WeakPolarHBondContact O-CD2 3.23Å; E57-Y59 PolarHBondContact OE2-OH 3.35Å; Y59-I61 PolarHBondContact O-N 2.72Å; Y59-R64 HydrophobicContact CD1-CB 4.21Å; Y59-R64 VanDerWaalsContact CD2-CZ 3.41Å; Y59-R64 HydrophobicContact CG-CB 4.41Å; Y59-R64 HydrophobicContact CG-CG 4.44Å; Y59-R64 VanDerWaalsContact CZ-NH2 3.31Å
60C95.1Very high91.8Very high1 Ų164 Ų641%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-55.4131.8173.8-179.30000111.6G48 F62 R64 N65 C69G48-C60 CarbonylContact O-C 3.52Å; G48-C60 WeakPolarHBondContact O-CA 3.39Å; C60-F62 PolarHBondContact O-N 2.88Å; C60-F62 VanDerWaalsContact O-N 3.12Å; C60-R64 WeakPolarHBondContact O-CA 3.23Å; C60-R64 PolarHBondContact O-N 2.82Å; C60-N65 WeakPolarHBondContact CB-O 3.45Å; C60-N65 PolarHBondContact SG-O 2.84Å; C60-N65 VanDerWaalsContact SG-O 3.37Å; C60-C69 WeakPolarHBondContact CA-SG 3.42Å; C60-C69 HydrophobicContact CB-CB 3.74Å; C60-C69 WeakPolarHBondContact CB-SG 3.45Å; C60-C69 WeakPolarHBondContact SG-CB 3.44Å; C60-C69 PolarHBondContact SG-N 3.2Å; C60-C69 CovalentContact SG-SG 2.03Å; C60-C69 PolarHBondContact SG-SG 3.25Å
61I94.8Very high92Very high10 Ų1065.1 Ų65.15%0.05133%0.329CS..THydrogen-bonded Turntrans-59.1-24.9178.9-169.4159.8000112.8G48 I50 Y59 N63 W131 S134 E143 G144 A148G48-I61 WeakPolarHBondContact O-CB 3.26Å; G48-I61 WeakPolarHBondContact O-CG2 3.07Å; G48-I61 PolarHBondContact O-N 3.35Å; I50-I61 HydrophobicContact CD1-CB 4.24Å; I50-I61 HydrophobicContact CD1-CD1 4.25Å; I50-I61 HydrophobicContact CD1-CG1 3.91Å; I50-I61 HydrophobicContact CG1-CB 4.29Å; I50-I61 HydrophobicContact CG1-CG1 4.49Å; I50-I61 HydrophobicContact CG2-CD1 4.48Å; Y59-I61 PolarHBondContact O-N 2.72Å; I61-N63 PolarHBondContact O-N 3.09Å; I61-W131 HydrophobicContact CD1-CZ3 4.24Å; I61-W131 HydrophobicContact CG1-CZ3 3.79Å; I61-S134 PolarHBondContact O-OG 3.32Å; I61-E143 WeakPolarHBondContact CD1-O 3.42Å; I61-G144 WeakPolarHBondContact CD1-O 3.33Å; I61-A148 HydrophobicContact CD1-CB 4.05Å; I61-A148 HydrophobicContact CG1-CB 4.34Å; I61-A148 HydrophobicContact CG2-CB 3.99Å
62F95.3Very high92.3Very high0 Ų061.8 Ų61.80%031%0.311CS..THydrogen-bonded Turntrans-82.689.8173.9-59.7-66.3000110.4I44 C60 R64 N65 A68 L127 Q130 W131 A148 I152I44-F62 HydrophobicContact CD1-CE2 4.1Å; I44-F62 HydrophobicContact CG1-CE2 4.17Å; C60-F62 PolarHBondContact O-N 2.88Å; C60-F62 VanDerWaalsContact O-N 3.12Å; F62-R64 PolarHBondContact O-N 3.42Å; F62-R64 VanDerWaalsContact O-N 3.07Å; F62-N65 WeakPolarHBondContact O-CB 3.37Å; F62-N65 PolarHBondContact O-N 3.46Å; F62-A68 HydrophobicContact CB-CB 3.62Å; F62-A68 HydrophobicContact CD2-CB 4.26Å; F62-A68 HydrophobicContact CG-CB 4.25Å; F62-L127 HydrophobicContact CD2-CD2 3.89Å; F62-L127 HydrophobicContact CE2-CD2 3.85Å; F62-L127 HydrophobicContact CG-CD2 4.29Å; F62-L127 HydrophobicContact CZ-CD2 4.21Å; F62-Q130 HydrophobicContact CB-CB 3.8Å; F62-W131 HydrophobicContact CD1-CB 3.89Å; F62-W131 HydrophobicContact CD1-CE3 4.17Å; F62-W131 HydrophobicContact CE1-CB 4.09Å; F62-W131 HydrophobicContact CE1-CE3 4.3Å; F62-A148 HydrophobicContact CE1-CB 3.89Å; F62-A148 HydrophobicContact CZ-CB 3.89Å; F62-I152 HydrophobicContact CE1-CD1 3.79Å; F62-I152 HydrophobicContact CE1-CG1 4.08Å; F62-I152 HydrophobicContact CZ-CG1 4.44Å
63N94.8Very high92.8Very high56 Ų5660.4 Ų60.430%0.29931%0.31SS..THydrogen-bonded Turntrans5332.8172.4-174.544.6000113.8I61 N65 Q130 V133 S134I61-N63 PolarHBondContact O-N 3.09Å; N63-N65 PolarHBondContact O-N 3.36Å; N63-Q130 HydrophobicContact CB-CB 4.38Å; N63-Q130 WeakPolarHBondContact CB-O 3.41Å; N63-Q130 PolarHBondContact ND2-OE1 3.03Å; N63-V133 HydrophobicContact CB-CG2 3.9Å; N63-S134 WeakPolarHBondContact CA-OG 3.35Å; N63-S134 PolarHBondContact N-OG 2.86Å
64R93.8Very high93.5Very high61 Ų6162.1 Ų62.123%0.2331%0.309CS..THydrogen-bonded Turntrans52.921.2-175.5-59.6-179.563.8117.4-12.1113.7E55 Y59 C60 F62 D138E55-R64 IonicContact OE1-NH2 3.92Å; E55-R64 IonicContact OE2-CZ 2.83Å; E55-R64 VanDerWaalsContact OE2-CZ 3.29Å; E55-R64 IonicContact OE2-NH1 2.86Å; E55-R64 PolarHBondContact OE2-NH1 3.39Å; E55-R64 IonicContact OE2-NH2 2.76Å; E55-R64 PolarHBondContact OE2-NH2 2.94Å; Y59-R64 HydrophobicContact CD1-CB 4.21Å; Y59-R64 VanDerWaalsContact CD2-CZ 3.41Å; Y59-R64 HydrophobicContact CG-CB 4.41Å; Y59-R64 HydrophobicContact CG-CG 4.44Å; Y59-R64 VanDerWaalsContact CZ-NH2 3.31Å; C60-R64 WeakPolarHBondContact O-CA 3.23Å; C60-R64 PolarHBondContact O-N 2.82Å; F62-R64 PolarHBondContact O-N 3.42Å; F62-R64 VanDerWaalsContact O-N 3.07Å; R64-D138 WeakPolarHBondContact CD-OD1 3.45Å; R64-D138 HydrophobicContact CG-CB 4.4Å
65N94.7Very high94.1Very high40 Ų4055.2 Ų55.221%0.21427%0.272CS..  trans-94.9102-176.5-177-7.1000109.4C60 F62 N63 N67 A68 Q130C60-N65 WeakPolarHBondContact CB-O 3.45Å; C60-N65 PolarHBondContact SG-O 2.84Å; C60-N65 VanDerWaalsContact SG-O 3.37Å; F62-N65 WeakPolarHBondContact O-CB 3.37Å; F62-N65 PolarHBondContact O-N 3.46Å; N63-N65 PolarHBondContact O-N 3.36Å; N65-N67 PolarHBondContact O-N 3.18Å; N65-N67 VanDerWaalsContact O-N 3.1Å; N65-N67 WeakPolarHBondContact OD1-CB 3.41Å; N65-N67 PolarHBondContact OD1-N 3.24Å; N65-N67 VanDerWaalsContact OD1-N 3.12Å; N65-A68 HydrophobicContact CB-CB 4.39Å; N65-A68 VanDerWaalsContact O-CB 3.32Å; N65-A68 WeakPolarHBondContact O-CB 3.49Å; N65-A68 PolarHBondContact O-N 3Å; N65-Q130 PolarHBondContact ND2-OE1 3.49Å
66Q94.7Very high94.6Very high63 Ų6352.5 Ų52.529%0.29426%0.259SS..Hα-helixtrans-59.6-27-177.8-59.5-63.320.900113.2Y49 E58 A68 C69 N70Y49-Q66 VanDerWaalsContact CE1-OE1 3.31Å; E58-Q66 PolarHBondContact O-NE2 2.94Å; Q66-A68 PolarHBondContact O-N 3.27Å; Q66-C69 PolarHBondContact O-N 3.39Å; Q66-N70 VanDerWaalsContact O-CB 3.26Å; Q66-N70 WeakPolarHBondContact O-CB 3.39Å; Q66-N70 PolarHBondContact O-N 3.45Å; Q66-N70 PolarHBondContact O-ND2 3.1Å
67N96Very high95.2Very high114 Ų11447.8 Ų47.861%0.6123%0.233SC*.Hα-helixtrans-65.3-26.7176-62.5-32.8000112.4N65 Y71N65-N67 PolarHBondContact O-N 3.18Å; N65-N67 VanDerWaalsContact O-N 3.1Å; N65-N67 WeakPolarHBondContact OD1-CB 3.41Å; N65-N67 PolarHBondContact OD1-N 3.24Å; N65-N67 VanDerWaalsContact OD1-N 3.12Å; N67-Y71 WeakPolarHBondContact O-CB 3.48Å; N67-Y71 PolarHBondContact O-N 3.27Å
68A96.6Very high95.6Very high0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-70.2-50.5177.900000112.1F62 N65 Q66 Y71 G72 F126 L127 Q130F62-A68 HydrophobicContact CB-CB 3.62Å; F62-A68 HydrophobicContact CD2-CB 4.26Å; F62-A68 HydrophobicContact CG-CB 4.25Å; N65-A68 HydrophobicContact CB-CB 4.39Å; N65-A68 VanDerWaalsContact O-CB 3.32Å; N65-A68 WeakPolarHBondContact O-CB 3.49Å; N65-A68 PolarHBondContact O-N 3Å; Q66-A68 PolarHBondContact O-N 3.27Å; A68-Y71 PolarHBondContact O-N 3.33Å; A68-G72 PolarHBondContact O-N 2.98Å; A68-F126 HydrophobicContact CB-CE1 4.05Å; A68-F126 HydrophobicContact CB-CZ 4.06Å; A68-L127 HydrophobicContact CB-CD2 4.26Å; A68-Q130 HydrophobicContact CB-CB 4.47Å; A68-Q130 HydrophobicContact CB-CG 4.17Å
69C96.9Very high96Very high0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-66.9-43.5176.9-70.70000111.2I44 G48 Y49 C60 Q66 Y71 G72 V73I44-C69 HydrophobicContact CG2-CB 3.74Å; G48-C69 PolarHBondContact O-SG 3.27Å; Y49-C69 HydrophobicContact CE1-CB 4.04Å; Y49-C69 HydrophobicContact CE2-CB 4.01Å; Y49-C69 WeakPolarHBondContact OH-CB 3.17Å; C60-C69 WeakPolarHBondContact CA-SG 3.42Å; C60-C69 HydrophobicContact CB-CB 3.74Å; C60-C69 WeakPolarHBondContact CB-SG 3.45Å; C60-C69 WeakPolarHBondContact SG-CB 3.44Å; C60-C69 PolarHBondContact SG-N 3.2Å; C60-C69 CovalentContact SG-SG 2.03Å; C60-C69 PolarHBondContact SG-SG 3.25Å; Q66-C69 PolarHBondContact O-N 3.39Å; C69-Y71 VanDerWaalsContact C-N 3.29Å; C69-Y71 PolarHBondContact O-N 3.37Å; C69-G72 PolarHBondContact O-N 2.92Å; C69-G72 VanDerWaalsContact O-N 3.16Å; C69-V73 WeakPolarHBondContact O-CG2 3.31Å; C69-V73 PolarHBondContact O-N 3.03Å
70N97.1Very high96.2Very high82 Ų8239.6 Ų39.644%0.43920%0.197SC..Hα-helixtrans-58.5-42.4175.9-70.5-11.7000111.7Y49 Q66 F74Y49-N70 PolarHBondContact OH-OD1 3.34Å; Y49-N70 VanDerWaalsContact OH-OD1 3.1Å; Q66-N70 VanDerWaalsContact O-CB 3.26Å; Q66-N70 WeakPolarHBondContact O-CB 3.39Å; Q66-N70 PolarHBondContact O-N 3.45Å; Q66-N70 PolarHBondContact O-ND2 3.1Å; N70-F74 WeakPolarHBondContact O-CB 3.41Å; N70-F74 PolarHBondContact O-N 2.71Å
71Y96.8Very high96.3Very high45 Ų4544.5 Ų44.518%0.17622%0.222CC..Hα-helixtrans-58.9-52174.3172-88.9000111.4N67 A68 C69 V73 F74 M75 M119 G123 F126N67-Y71 WeakPolarHBondContact O-CB 3.48Å; N67-Y71 PolarHBondContact O-N 3.27Å; A68-Y71 PolarHBondContact O-N 3.33Å; C69-Y71 VanDerWaalsContact C-N 3.29Å; C69-Y71 PolarHBondContact O-N 3.37Å; Y71-V73 PolarHBondContact O-N 3Å; Y71-F74 PolarHBondContact O-N 2.7Å; Y71-M75 HydrophobicContact CD1-CG 4.45Å; Y71-M75 HydrophobicContact CD2-CG 3.82Å; Y71-M75 HydrophobicContact CE1-CG 4.15Å; Y71-M75 HydrophobicContact CE2-CG 3.51Å; Y71-M75 HydrophobicContact CE2-SD 4.36Å; Y71-M75 HydrophobicContact CG-CG 4.27Å; Y71-M75 VanDerWaalsContact O-CB 3.26Å; Y71-M75 WeakPolarHBondContact O-CB 3.34Å; Y71-M75 VanDerWaalsContact O-CG 3.23Å; Y71-M75 WeakPolarHBondContact O-CG 3.18Å; Y71-M75 PolarHBondContact O-N 2.83Å; Y71-M119 PolarHBondContact OH-O 2.95Å; Y71-G123 VanDerWaalsContact CZ-CA 3.43Å; Y71-G123 WeakPolarHBondContact OH-CA 3.5Å; Y71-G123 PolarHBondContact OH-N 3.43Å; Y71-F126 HydrophobicContact CD1-CD1 4.07Å; Y71-F126 HydrophobicContact CG-CD1 4.15Å; Y71-F126 HydrophobicContact CG-CE1 4.27Å
72G96Very high96.3Very high0 Ų045.1 Ų45.10%023%0.227CC..Hα-helixtrans-62.2-43.6-178.200000113.3A68 C69 G76A68-G72 PolarHBondContact O-N 2.98Å; C69-G72 PolarHBondContact O-N 2.92Å; C69-G72 VanDerWaalsContact O-N 3.16Å; G72-G76 PolarHBondContact O-N 3.11Å
73V97.7Very high96.3Very high39 Ų3945.1 Ų45.124%0.23623%0.227CC..Hα-helixtrans-64.1-49.7176.7172.80000110.9I44 A45 C69 Y71 S77I44-V73 HydrophobicContact CB-CG2 4.13Å; I44-V73 HydrophobicContact CG2-CG2 3.68Å; A45-V73 HydrophobicContact CB-CG2 4.32Å; C69-V73 WeakPolarHBondContact O-CG2 3.31Å; C69-V73 PolarHBondContact O-N 3.03Å; Y71-V73 PolarHBondContact O-N 3Å; V73-S77 VanDerWaalsContact O-CB 3.25Å; V73-S77 WeakPolarHBondContact O-CB 3.27Å; V73-S77 PolarHBondContact O-N 3.26Å; V73-S77 PolarHBondContact O-OG 2.92Å
74F97.8Very high96.3Very high119 Ų11945.6 Ų45.652%0.52223%0.232SC..Hα-helixtrans-64.2-50.4-177.8175.9-102.4000111.8N70 Y71 S77 M78N70-F74 WeakPolarHBondContact O-CB 3.41Å; N70-F74 PolarHBondContact O-N 2.71Å; Y71-F74 PolarHBondContact O-N 2.7Å; F74-S77 PolarHBondContact O-N 2.93Å; F74-M78 HydrophobicContact CE2-CE 3.91Å; F74-M78 HydrophobicContact CZ-CE 3.75Å; F74-M78 WeakPolarHBondContact O-CB 3.45Å; F74-M78 PolarHBondContact O-N 3.3Å
75M96.9Very high96.4Very high16 Ų1645.6 Ų45.68%0.07925%0.245CC..Hα-helixtrans-66.8-41.5-178.2-65.7-57.8-7500111.6Y71 M78 A79 W116 M119Y71-M75 HydrophobicContact CD1-CG 4.45Å; Y71-M75 HydrophobicContact CD2-CG 3.82Å; Y71-M75 HydrophobicContact CE1-CG 4.15Å; Y71-M75 HydrophobicContact CE2-CG 3.51Å; Y71-M75 HydrophobicContact CE2-SD 4.36Å; Y71-M75 HydrophobicContact CG-CG 4.27Å; Y71-M75 VanDerWaalsContact O-CB 3.26Å; Y71-M75 WeakPolarHBondContact O-CB 3.34Å; Y71-M75 VanDerWaalsContact O-CG 3.23Å; Y71-M75 WeakPolarHBondContact O-CG 3.18Å; Y71-M75 PolarHBondContact O-N 2.83Å; M75-M78 PolarHBondContact O-N 3.48Å; M75-A79 VanDerWaalsContact O-CB 3.27Å; M75-A79 WeakPolarHBondContact O-CB 3.46Å; M75-A79 PolarHBondContact O-N 3.43Å; M75-W116 HydrophobicContact CB-CZ3 4.33Å; M75-W116 HydrophobicContact CE-CE3 4.37Å; M75-W116 HydrophobicContact CE-CH2 3.95Å; M75-W116 HydrophobicContact CE-CZ3 3.59Å; M75-W116 WeakPolarHBondContact O-CH2 3.49Å; M75-W116 WeakPolarHBondContact O-CZ3 3.26Å; M75-W116 HydrophobicContact SD-CH2 4.49Å; M75-M119 HydrophobicContact CE-CB 3.5Å; M75-M119 HydrophobicContact CE-CG 3.54Å; M75-M119 HydrophobicContact CE-SD 3.63Å
76G97Very high96.3Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-63.8-40.9175.200000112.7G72 A79 F80G72-G76 PolarHBondContact O-N 3.11Å; G76-A79 PolarHBondContact O-N 2.95Å; G76-F80 WeakPolarHBondContact O-CB 3.19Å; G76-F80 PolarHBondContact O-N 3.46Å
77S97.4Very high96.1Very high44 Ų4443 Ų4331%0.30823%0.233SC..Hα-helixtrans-65.8-43.6177-57.70000112.2V73 F74 F80 L81V73-S77 VanDerWaalsContact O-CB 3.25Å; V73-S77 WeakPolarHBondContact O-CB 3.27Å; V73-S77 PolarHBondContact O-N 3.26Å; V73-S77 PolarHBondContact O-OG 2.92Å; F74-S77 PolarHBondContact O-N 2.93Å; S77-F80 WeakPolarHBondContact O-CB 3.45Å; S77-F80 PolarHBondContact O-N 3.32Å; S77-L81 WeakPolarHBondContact O-CG 3.36Å; S77-L81 PolarHBondContact O-N 3.09Å; S77-L81 VanDerWaalsContact O-N 3.09Å
78M97.6Very high95.9Very high85 Ų8539.5 Ų39.542%0.41922%0.22SC..Hα-helixtrans-68-38178.4-170.969.870.500111.5F74 M75 L81 C82 W116F74-M78 HydrophobicContact CE2-CE 3.91Å; F74-M78 HydrophobicContact CZ-CE 3.75Å; F74-M78 WeakPolarHBondContact O-CB 3.45Å; F74-M78 PolarHBondContact O-N 3.3Å; M75-M78 PolarHBondContact O-N 3.48Å; M78-L81 PolarHBondContact O-N 3.22Å; M78-C82 VanDerWaalsContact O-CB 3.26Å; M78-C82 WeakPolarHBondContact O-CB 3.13Å; M78-C82 PolarHBondContact O-N 3.35Å; M78-W116 HydrophobicContact CB-CH2 3.89Å; M78-W116 HydrophobicContact CB-CZ2 4.01Å; M78-W116 HydrophobicContact CG-CH2 4.12Å; M78-W116 HydrophobicContact CG-CZ2 3.78Å
79A96.6Very high95.6Very high0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-63.8-42.117400000111.7S37 M75 G76 C82 C83 W116 W120 W162S37-A79 WeakPolarHBondContact OG-CB 3.38Å; M75-A79 VanDerWaalsContact O-CB 3.27Å; M75-A79 WeakPolarHBondContact O-CB 3.46Å; M75-A79 PolarHBondContact O-N 3.43Å; G76-A79 PolarHBondContact O-N 2.95Å; A79-C82 PolarHBondContact O-N 2.88Å; A79-C83 WeakPolarHBondContact O-CB 3.03Å; A79-C83 PolarHBondContact O-N 2.86Å; A79-C83 PolarHBondContact O-SG 3.49Å; A79-W116 HydrophobicContact CB-CD2 4.37Å; A79-W116 HydrophobicContact CB-CE3 4.05Å; A79-W116 HydrophobicContact CB-CH2 3.67Å; A79-W116 HydrophobicContact CB-CZ2 3.99Å; A79-W116 HydrophobicContact CB-CZ3 3.67Å; A79-W116 VanDerWaalsContact N-CH2 3.32Å; A79-W120 HydrophobicContact CB-CZ2 3.7Å; A79-W162 HydrophobicContact CB-CZ2 4.45Å
80F96.4Very high95.2Very high56 Ų5642.3 Ų42.325%0.24623%0.234CC..Hα-helixtrans-56.6-51.1174.6166.3-93.1000111.5W34 I38 F41 G76 S77 C82 C83 V84W34-F80 AromaticContact CD1-CD2 3.52Å; W34-F80 AromaticContact CD1-CE2 3.85Å; W34-F80 AromaticContact CE2-CE2 3.58Å; W34-F80 AromaticContact CZ2-CE2 3.84Å; W34-F80 HydrophobicContact CZ2-CE2 3.84Å; W34-F80 AromaticContact NE1-CD2 3.12Å; W34-F80 AromaticContact NE1-CE2 2.94Å; W34-F80 AromaticContact NE1-CZ 3.85Å; I38-F80 HydrophobicContact CD1-CD2 4.1Å; I38-F80 HydrophobicContact CD1-CE2 3.98Å; I38-F80 HydrophobicContact CG1-CD2 3.63Å; I38-F80 HydrophobicContact CG1-CE2 3.91Å; F41-F80 HydrophobicContact CD1-CB 4.5Å; F41-F80 HydrophobicContact CE1-CB 4.05Å; F41-F80 HydrophobicContact CE1-CD2 4.25Å; F41-F80 HydrophobicContact CE1-CG 4.16Å; G76-F80 WeakPolarHBondContact O-CB 3.19Å; G76-F80 PolarHBondContact O-N 3.46Å; S77-F80 WeakPolarHBondContact O-CB 3.45Å; S77-F80 PolarHBondContact O-N 3.32Å; F80-C82 VanDerWaalsContact C-N 3.34Å; F80-C82 PolarHBondContact O-N 2.9Å; F80-C83 PolarHBondContact O-N 2.86Å; F80-V84 HydrophobicContact CE1-CG2 4.37Å; F80-V84 HydrophobicContact CZ-CG2 4.25Å; F80-V84 WeakPolarHBondContact O-CG2 3.28Å; F80-V84 PolarHBondContact O-N 3.46Å
81L97Very high94.7Very high104 Ų10440.9 Ų40.955%0.54523%0.229SC..Hα-helixtrans-63-41178.3-67.2176000111.9S77 M78 C83 V84 A85S77-L81 WeakPolarHBondContact O-CG 3.36Å; S77-L81 PolarHBondContact O-N 3.09Å; S77-L81 VanDerWaalsContact O-N 3.09Å; M78-L81 PolarHBondContact O-N 3.22Å; L81-C83 VanDerWaalsContact C-N 3.34Å; L81-C83 PolarHBondContact O-N 2.86Å; L81-V84 PolarHBondContact O-N 2.96Å; L81-A85 WeakPolarHBondContact O-CB 3.28Å; L81-A85 PolarHBondContact O-N 3.34Å
82C96.1Very high94.2Very high23 Ų2345.6 Ų45.616%0.15525%0.247CC..Hα-helixtrans-61.3-42.6176.3-175.20000111.6M78 A79 F80 A85 F86 I112 W116M78-C82 VanDerWaalsContact O-CB 3.26Å; M78-C82 WeakPolarHBondContact O-CB 3.13Å; M78-C82 PolarHBondContact O-N 3.35Å; A79-C82 PolarHBondContact O-N 2.88Å; F80-C82 VanDerWaalsContact C-N 3.34Å; F80-C82 PolarHBondContact O-N 2.9Å; C82-A85 PolarHBondContact O-N 3.35Å; C82-F86 WeakPolarHBondContact O-CB 3.4Å; C82-F86 WeakPolarHBondContact O-CD2 3.48Å; C82-F86 PolarHBondContact O-N 2.86Å; C82-F86 WeakPolarHBondContact SG-CE2 3.35Å; C82-I112 VanDerWaalsContact SG-CG2 3.58Å; C82-W116 PolarHBondContact SG-NE1 3.38Å
83C94.9Very high93.6Very high0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-63.1-42.1175.3-68.50000112.1W34 A79 F80 L81 F86 L87 W162W34-C83 HydrophobicContact CB-CB 3.8Å; W34-C83 HydrophobicContact CG-CB 4.22Å; A79-C83 WeakPolarHBondContact O-CB 3.03Å; A79-C83 PolarHBondContact O-N 2.86Å; A79-C83 PolarHBondContact O-SG 3.49Å; F80-C83 PolarHBondContact O-N 2.86Å; L81-C83 VanDerWaalsContact C-N 3.34Å; L81-C83 PolarHBondContact O-N 2.86Å; C83-F86 PolarHBondContact O-N 3Å; C83-L87 WeakPolarHBondContact O-CB 3.38Å; C83-L87 WeakPolarHBondContact O-CG 3.34Å; C83-L87 PolarHBondContact O-N 2.87Å; C83-W162 VanDerWaalsContact SG-CZ2 3.58Å
84V95.2Very high92.8Very high67 Ų6746.6 Ų46.641%0.40625%0.253SS..Hα-helixtrans-62-46.9175.6172.20000111.1F80 L81 F86 L87 A88F80-V84 HydrophobicContact CE1-CG2 4.37Å; F80-V84 HydrophobicContact CZ-CG2 4.25Å; F80-V84 WeakPolarHBondContact O-CG2 3.28Å; F80-V84 PolarHBondContact O-N 3.46Å; L81-V84 PolarHBondContact O-N 2.96Å; V84-F86 VanDerWaalsContact C-N 3.27Å; V84-F86 PolarHBondContact O-N 3.31Å; V84-L87 PolarHBondContact O-N 2.92Å; V84-A88 PolarHBondContact O-N 3.37Å
85A95.3Very high92Very high61 Ų6147.1 Ų47.150%0.50426%0.257SS..Hα-helixtrans-60.2-40.1177.900000111.8L81 C82 A88 L89L81-A85 WeakPolarHBondContact O-CB 3.28Å; L81-A85 PolarHBondContact O-N 3.34Å; C82-A85 PolarHBondContact O-N 3.35Å; A85-A88 PolarHBondContact O-N 3.32Å; A85-L89 WeakPolarHBondContact O-CB 3.21Å; A85-L89 PolarHBondContact O-N 2.91Å
86F92.8Very high91.2Very high12 Ų1248.4 Ų48.45%0.05326%0.264CS..Hα-helixtrans-73.8-36177.6-82-40.7000114.5C82 C83 V84 A88 L89 D90 D109 I112 W162C82-F86 WeakPolarHBondContact O-CB 3.4Å; C82-F86 WeakPolarHBondContact O-CD2 3.48Å; C82-F86 PolarHBondContact O-N 2.86Å; C82-F86 WeakPolarHBondContact SG-CE2 3.35Å; C83-F86 PolarHBondContact O-N 3Å; V84-F86 VanDerWaalsContact C-N 3.27Å; V84-F86 PolarHBondContact O-N 3.31Å; F86-A88 VanDerWaalsContact C-N 3.28Å; F86-A88 PolarHBondContact O-N 2.9Å; F86-L89 WeakPolarHBondContact O-CB 3.4Å; F86-L89 PolarHBondContact O-N 2.98Å; F86-D90 WeakPolarHBondContact O-CB 3.27Å; F86-D90 PolarHBondContact O-N 3.15Å; F86-D109 HydrophobicContact CE1-CB 4.4Å; F86-I112 HydrophobicContact CE1-CD1 4.31Å; F86-I112 HydrophobicContact CE2-CB 4Å; F86-I112 HydrophobicContact CE2-CD1 4.5Å; F86-I112 HydrophobicContact CE2-CG2 3.5Å; F86-I112 VanDerWaalsContact CE2-CG2 3.5Å; F86-I112 HydrophobicContact CZ-CB 3.7Å; F86-I112 HydrophobicContact CZ-CD1 3.65Å; F86-I112 HydrophobicContact CZ-CG1 4.25Å; F86-I112 HydrophobicContact CZ-CG2 3.67Å; F86-W162 HydrophobicContact CE2-CZ3 4.38Å
87L91.2Very high90.2Very high36 Ų3653 Ų5319%0.18830%0.297CS..Hα-helixtrans-60.7-42.2170.9-78.3168.4000110.7T27 R30 I31 C83 V84 D90 V91T27-L87 HydrophobicContact CG2-CD2 4.34Å; R30-L87 HydrophobicContact CB-CD2 3.75Å; R30-L87 HydrophobicContact CB-CG 4.18Å; R30-L87 HydrophobicContact CG-CD2 4.46Å; I31-L87 HydrophobicContact CG1-CD2 4.29Å; C83-L87 WeakPolarHBondContact O-CB 3.38Å; C83-L87 WeakPolarHBondContact O-CG 3.34Å; C83-L87 PolarHBondContact O-N 2.87Å; V84-L87 PolarHBondContact O-N 2.92Å; L87-D90 PolarHBondContact O-N 3.21Å; L87-V91 WeakPolarHBondContact O-CG2 3.44Å; L87-V91 PolarHBondContact O-N 2.95Å
88A91.4Very high89.3Confident41 Ų4152.8 Ų52.834%0.33930%0.295SS..Hα-helixtrans-61.6-4617300000111.2V84 A85 F86 D90 V91 Y92V84-A88 PolarHBondContact O-N 3.37Å; A85-A88 PolarHBondContact O-N 3.32Å; F86-A88 VanDerWaalsContact C-N 3.28Å; F86-A88 PolarHBondContact O-N 2.9Å; A88-D90 VanDerWaalsContact C-N 3.3Å; A88-D90 PolarHBondContact O-N 3.49Å; A88-V91 WeakPolarHBondContact O-CB 3.34Å; A88-V91 PolarHBondContact O-N 3.36Å; A88-V91 VanDerWaalsContact O-N 3.15Å; A88-Y92 HydrophobicContact CB-CD2 4.49Å; A88-Y92 HydrophobicContact CB-CE2 4.38Å; A88-Y92 WeakPolarHBondContact O-CD2 3.48Å; A88-Y92 PolarHBondContact O-N 3.21Å
89L90.1Very high88.4Confident49 Ų4950.9 Ų50.926%0.25729%0.288SS..Hα-helixtrans-57.3-43.6175.4-175.8149.7000111.6A85 F86 V91 Y92 F93 A105A85-L89 WeakPolarHBondContact O-CB 3.21Å; A85-L89 PolarHBondContact O-N 2.91Å; F86-L89 WeakPolarHBondContact O-CB 3.4Å; F86-L89 PolarHBondContact O-N 2.98Å; L89-V91 VanDerWaalsContact C-N 3.3Å; L89-V91 PolarHBondContact O-N 2.98Å; L89-Y92 CarbonylContact O-C 3.56Å; L89-Y92 PolarHBondContact O-N 3.48Å; L89-F93 HydrophobicContact CD2-CD2 4.02Å; L89-F93 WeakPolarHBondContact O-CA 3.48Å; L89-F93 VanDerWaalsContact O-CB 3.32Å; L89-F93 WeakPolarHBondContact O-CB 3.42Å; L89-F93 PolarHBondContact O-N 3.31Å; L89-A105 HydrophobicContact CD1-CB 4.18Å; L89-A105 HydrophobicContact CD2-CB 4.35Å
90D88.1Confident87.8Confident10 Ų1058.8 Ų58.85%0.05332%0.322CS..Hα-helixtrans-63.7-35.3178.9-68.2-27.8000111.5F21 R30 F86 L87 A88F21-D90 HydrophobicContact CE2-CB 3.9Å; F21-D90 HydrophobicContact CZ-CB 3.97Å; R30-D90 IonicContact CZ-OD2 3.77Å; R30-D90 IonicContact NE-OD2 2.8Å; R30-D90 PolarHBondContact NE-OD2 3.46Å; R30-D90 IonicContact NH2-OD1 2.88Å; R30-D90 PolarHBondContact NH2-OD1 3.38Å; R30-D90 IonicContact NH2-OD2 3.24Å; F86-D90 WeakPolarHBondContact O-CB 3.27Å; F86-D90 PolarHBondContact O-N 3.15Å; L87-D90 PolarHBondContact O-N 3.21Å; A88-D90 VanDerWaalsContact C-N 3.3Å; A88-D90 PolarHBondContact O-N 3.49Å
91V86.9Confident87.3Confident52 Ų5259.7 Ų59.732%0.31533%0.33SS..Hα-helixtrans-68-41173.21710000111.9F16 F21 L87 A88 L89 P94F16-V91 HydrophobicContact CE2-CG1 4.4Å; F16-V91 HydrophobicContact CZ-CG2 4.49Å; F21-V91 HydrophobicContact CE1-CG2 4.12Å; F21-V91 HydrophobicContact CE2-CG2 4.25Å; F21-V91 HydrophobicContact CZ-CG2 3.77Å; L87-V91 WeakPolarHBondContact O-CG2 3.44Å; L87-V91 PolarHBondContact O-N 2.95Å; A88-V91 WeakPolarHBondContact O-CB 3.34Å; A88-V91 PolarHBondContact O-N 3.36Å; A88-V91 VanDerWaalsContact O-N 3.15Å; L89-V91 VanDerWaalsContact C-N 3.3Å; L89-V91 PolarHBondContact O-N 2.98Å; V91-P94 WeakPolarHBondContact O-CD 3.02Å
92Y85.4Confident86.8Confident144 Ų14454.9 Ų54.957%0.56530%0.304SS*.Hα-helixtrans-81.8-18.8179.7-68.9-65.3000113.5A88 L89 P94 Q95 I96A88-Y92 HydrophobicContact CB-CD2 4.49Å; A88-Y92 HydrophobicContact CB-CE2 4.38Å; A88-Y92 WeakPolarHBondContact O-CD2 3.48Å; A88-Y92 PolarHBondContact O-N 3.21Å; L89-Y92 CarbonylContact O-C 3.56Å; L89-Y92 PolarHBondContact O-N 3.48Å; Y92-P94 VanDerWaalsContact C-CD 3.43Å; Y92-Q95 WeakPolarHBondContact O-CB 3.41Å; Y92-Q95 PolarHBondContact O-N 3.06Å; Y92-I96 PolarHBondContact O-N 3.31Å
93F84.9Confident86.4Confident8 Ų858.3 Ų58.34%0.03532%0.316CS..G310 helixtrans-52.5-42.8-174.4-165-93.9000113.9A9 L89 Q95 I96 R102 A105 V106A9-F93 HydrophobicContact CB-CD1 4.12Å; A9-F93 HydrophobicContact CB-CE1 4.06Å; L89-F93 HydrophobicContact CD2-CD2 4.02Å; L89-F93 WeakPolarHBondContact O-CA 3.48Å; L89-F93 VanDerWaalsContact O-CB 3.32Å; L89-F93 WeakPolarHBondContact O-CB 3.42Å; L89-F93 PolarHBondContact O-N 3.31Å; F93-Q95 PolarHBondContact O-N 2.85Å; F93-I96 HydrophobicContact CD2-CD1 4.21Å; F93-I96 PolarHBondContact O-N 2.94Å; F93-R102 HydrophobicContact CE2-CB 4.29Å; F93-R102 HydrophobicContact CE2-CG 4.41Å; F93-R102 HydrophobicContact CZ-CB 4Å; F93-R102 HydrophobicContact CZ-CG 4.14Å; F93-A105 HydrophobicContact CD2-CB 4.36Å; F93-A105 HydrophobicContact CE2-CB 4.02Å; F93-V106 HydrophobicContact CE2-CG2 3.83Å; F93-V106 HydrophobicContact CZ-CG2 3.65Å
94P80.8Confident86.2Confident51 Ų5165 Ų6533%0.33135%0.346SS..G310 helixtrans-64-25.3176.8-21.434.6000114V91 Y92V91-P94 WeakPolarHBondContact O-CD 3.02Å; Y92-P94 VanDerWaalsContact C-CD 3.43Å
95Q80.4Confident86.1Confident130 Ų13062.6 Ų62.661%0.60733%0.332SS*.G310 helixtrans-82.4-16.1-178.2-58.5-179-4.900112.9Y92 F93 S97Y92-Q95 WeakPolarHBondContact O-CB 3.41Å; Y92-Q95 PolarHBondContact O-N 3.06Å; F93-Q95 PolarHBondContact O-N 2.85Å; Q95-S97 PolarHBondContact O-N 3.37Å
96I80.4Confident85.9Confident44 Ų4459.9 Ų59.923%0.22631%0.309CS..  trans-67.5117.1178.8-57.6175.6000108.5Y92 F93 D101 R102Y92-I96 PolarHBondContact O-N 3.31Å; F93-I96 HydrophobicContact CD2-CD1 4.21Å; F93-I96 PolarHBondContact O-N 2.94Å; I96-D101 HydrophobicContact CG2-CB 3.93Å; I96-R102 HydrophobicContact CB-CG 3.96Å; I96-R102 HydrophobicContact CG2-CG 3.72Å; I96-R102 PolarHBondContact O-NE 3.38Å; I96-R102 PolarHBondContact O-NH2 3.27Å
97S75.7Confident85.9Confident97 Ų9764 Ų6468%0.67833%0.332SS*.  trans-83.4-24.3178.755.70000113.6Q95Q95-S97 PolarHBondContact O-N 3.37Å
98S79.3Confident86.1Confident38 Ų3864.4 Ų64.427%0.26634%0.34SS..  trans-86.9120.7-175168.70000112.4K100 D101 R102S98-K100 PolarHBondContact O-N 3.34Å; S98-K100 PolarHBondContact OG-N 3.42Å; S98-D101 WeakPolarHBondContact CB-OD2 3.27Å; S98-D101 PolarHBondContact O-N 3.18Å; S98-D101 PolarHBondContact OG-N 2.87Å; S98-D101 PolarHBondContact OG-OD2 3.45Å; S98-R102 WeakPolarHBondContact O-CG 3.42Å; S98-R102 PolarHBondContact O-N 2.89Å; S98-R102 VanDerWaalsContact O-N 3.08Å
99V78.8Confident86.2Confident45 Ų4562.6 Ų62.627%0.27333%0.325SS..Hα-helixtrans-61.3-34.2175.5-178.30000111.5M4 A6 Y7 K103 A180M4-V99 HydrophobicContact CB-CG2 4.29Å; M4-V99 HydrophobicContact CG-CG2 4.33Å; A6-V99 HydrophobicContact CB-CG1 4.22Å; A6-V99 HydrophobicContact CB-CG2 4.3Å; Y7-V99 HydrophobicContact CE2-CG1 3.96Å; V99-K103 WeakPolarHBondContact O-CB 3.48Å; V99-K103 PolarHBondContact O-N 3.47Å; V99-A180 HydrophobicContact CG1-CB 4.32Å
100K83.4Confident86.5Confident167 Ų16761.6 Ų61.673%0.72632%0.32SS*.Hα-helixtrans-64.9-40.6178.5-66.4178.9-178.1174.80111.5S98 K103 K104S98-K100 PolarHBondContact O-N 3.34Å; S98-K100 PolarHBondContact OG-N 3.42Å; K100-K103 PolarHBondContact O-N 2.89Å; K100-K104 WeakPolarHBondContact O-CG 3.32Å; K100-K104 PolarHBondContact O-N 3.38Å; K100-K104 VanDerWaalsContact O-N 3.1Å
101D85.6Confident86.9Confident75 Ų7563 Ų6340%0.40134%0.337SS..Hα-helixtrans-76.5-36.8-178.9-60.1-41.1000111.4I96 S98 K103 K104 A105I96-D101 HydrophobicContact CG2-CB 3.93Å; S98-D101 WeakPolarHBondContact CB-OD2 3.27Å; S98-D101 PolarHBondContact O-N 3.18Å; S98-D101 PolarHBondContact OG-N 2.87Å; S98-D101 PolarHBondContact OG-OD2 3.45Å; D101-K103 VanDerWaalsContact C-N 3.34Å; D101-K103 PolarHBondContact O-N 3.26Å; D101-K104 PolarHBondContact O-N 3.36Å; D101-A105 WeakPolarHBondContact O-CB 3.25Å; D101-A105 PolarHBondContact O-N 3.4Å
102R86.3Confident87.4Confident2 Ų263.6 Ų63.61%0.00834%0.337CS..Hα-helixtrans-57.5-45.4168.7-69.2-179.2-176.4170.40.7111.7M4 A6 Y7 F93 I96 S98 K104 A105 V106M4-R102 PolarHBondContact O-NH1 2.95Å; A6-R102 PolarHBondContact O-NH1 3.03Å; Y7-R102 HydrophobicContact CD2-CB 3.75Å; Y7-R102 HydrophobicContact CE2-CB 4.29Å; Y7-R102 HydrophobicContact CG-CB 4.49Å; F93-R102 HydrophobicContact CE2-CB 4.29Å; F93-R102 HydrophobicContact CE2-CG 4.41Å; F93-R102 HydrophobicContact CZ-CB 4Å; F93-R102 HydrophobicContact CZ-CG 4.14Å; I96-R102 HydrophobicContact CB-CG 3.96Å; I96-R102 HydrophobicContact CG2-CG 3.72Å; I96-R102 PolarHBondContact O-NE 3.38Å; I96-R102 PolarHBondContact O-NH2 3.27Å; S98-R102 WeakPolarHBondContact O-CG 3.42Å; S98-R102 PolarHBondContact O-N 2.89Å; S98-R102 VanDerWaalsContact O-N 3.08Å; R102-K104 PolarHBondContact O-N 3.14Å; R102-A105 PolarHBondContact O-N 2.9Å; R102-V106 VanDerWaalsContact O-CG2 3.31Å; R102-V106 WeakPolarHBondContact O-CG2 3.46Å; R102-V106 PolarHBondContact O-N 3.49Å
103K88.5Confident88Confident95 Ų9556.8 Ų56.841%0.41331%0.31SS..Hα-helixtrans-59.3-46.4176.6-177.3177178175.70111.9Y7 V99 K100 D101 V106 L107 Y173Y7-K103 HydrophobicContact CE2-CB 4.05Å; Y7-K103 WeakPolarHBondContact OH-CB 3.43Å; Y7-K103 WeakPolarHBondContact OH-CG 3.39Å; V99-K103 WeakPolarHBondContact O-CB 3.48Å; V99-K103 PolarHBondContact O-N 3.47Å; K100-K103 PolarHBondContact O-N 2.89Å; D101-K103 VanDerWaalsContact C-N 3.34Å; D101-K103 PolarHBondContact O-N 3.26Å; K103-V106 PolarHBondContact O-N 2.94Å; K103-L107 WeakPolarHBondContact O-CB 3.47Å; K103-L107 PolarHBondContact O-N 3.5Å; K103-Y173 HydrophobicContact CG-CE2 4.11Å
104K90.6Very high88.6Confident142 Ų14258.3 Ų58.362%0.61733%0.325SS*.Hα-helixtrans-62-44.5177.8-73.5174.4-178.6174.30111.6K100 D101 R102 L107 A108K100-K104 WeakPolarHBondContact O-CG 3.32Å; K100-K104 PolarHBondContact O-N 3.38Å; K100-K104 VanDerWaalsContact O-N 3.1Å; D101-K104 PolarHBondContact O-N 3.36Å; R102-K104 PolarHBondContact O-N 3.14Å; K104-L107 PolarHBondContact O-N 3.01Å; K104-A108 WeakPolarHBondContact O-CB 3.44Å; K104-A108 PolarHBondContact O-N 3.43Å
105A91.6Very high89.4Confident15 Ų1561 Ų6112%0.12433%0.331CS..Hα-helixtrans-60.2-46.8177.500000111.6L89 F93 D101 R102 L107 A108 D109L89-A105 HydrophobicContact CD1-CB 4.18Å; L89-A105 HydrophobicContact CD2-CB 4.35Å; F93-A105 HydrophobicContact CD2-CB 4.36Å; F93-A105 HydrophobicContact CE2-CB 4.02Å; D101-A105 WeakPolarHBondContact O-CB 3.25Å; D101-A105 PolarHBondContact O-N 3.4Å; R102-A105 PolarHBondContact O-N 2.9Å; A105-L107 PolarHBondContact O-N 3.27Å; A105-A108 PolarHBondContact O-N 3.5Å; A105-D109 WeakPolarHBondContact O-CB 3.41Å; A105-D109 PolarHBondContact O-N 3.46Å
106V91.9Very high90.3Very high4 Ų455.3 Ų55.32%0.02430%0.304CS..Hα-helixtrans-64.4-40.6176.9176.50000111.6Y7 F93 R102 K103 D109 I110 A169 R172 Y173Y7-V106 HydrophobicContact CD1-CG2 4.15Å; Y7-V106 HydrophobicContact CG-CG2 4.35Å; F93-V106 HydrophobicContact CE2-CG2 3.83Å; F93-V106 HydrophobicContact CZ-CG2 3.65Å; R102-V106 VanDerWaalsContact O-CG2 3.31Å; R102-V106 WeakPolarHBondContact O-CG2 3.46Å; R102-V106 PolarHBondContact O-N 3.49Å; K103-V106 PolarHBondContact O-N 2.94Å; V106-D109 WeakPolarHBondContact O-CB 3.31Å; V106-D109 PolarHBondContact O-N 3.27Å; V106-I110 HydrophobicContact CG1-CD1 4.22Å; V106-I110 WeakPolarHBondContact O-CG1 3.27Å; V106-I110 PolarHBondContact O-N 3.46Å; V106-A169 WeakPolarHBondContact CG1-O 3.39Å; V106-R172 HydrophobicContact CG2-CG 4.37Å; V106-Y173 HydrophobicContact CG1-CD2 4.29Å; V106-Y173 HydrophobicContact CG1-CG 4.48Å
107L93.1Very high91.1Very high99 Ų9954.1 Ų54.152%0.51830%0.3SS..Hα-helixtrans-67.3-40.3178.2-171.666.2000112.1K103 K104 A105 D109 I110 G111K103-L107 WeakPolarHBondContact O-CB 3.47Å; K103-L107 PolarHBondContact O-N 3.5Å; K104-L107 PolarHBondContact O-N 3.01Å; A105-L107 PolarHBondContact O-N 3.27Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.96Å; L107-I110 PolarHBondContact O-N 2.87Å; L107-G111 PolarHBondContact O-N 3.42Å
108A95Very high92.2Very high44 Ų4455.2 Ų55.236%0.36429%0.293SS..Hα-helixtrans-61-41.3173.500000111K104 A105 G111 I112K104-A108 WeakPolarHBondContact O-CB 3.44Å; K104-A108 PolarHBondContact O-N 3.43Å; A105-A108 PolarHBondContact O-N 3.5Å; A108-G111 PolarHBondContact O-N 2.82Å; A108-I112 HydrophobicContact CB-CD1 4.48Å; A108-I112 VanDerWaalsContact O-CB 3.31Å; A108-I112 WeakPolarHBondContact O-CB 3.45Å; A108-I112 VanDerWaalsContact O-CG1 3.27Å; A108-I112 WeakPolarHBondContact O-CG1 3.47Å; A108-I112 PolarHBondContact O-N 3.35Å
109D94.7Very high93.1Very high4 Ų455.1 Ų55.12%0.02129%0.289CS..Hα-helixtrans-61.6-45.8177-170.121.8000112.7Q26 R30 F86 A105 V106 L107 S113 A169Q26-D109 PolarHBondContact NE2-OD2 3.13Å; R30-D109 IonicContact CZ-OD1 3.74Å; R30-D109 VanDerWaalsContact CZ-OD1 3.24Å; R30-D109 IonicContact CZ-OD2 2.82Å; R30-D109 IonicContact NH1-OD1 2.77Å; R30-D109 PolarHBondContact NH1-OD1 3.21Å; R30-D109 IonicContact NH2-OD1 2.63Å; R30-D109 PolarHBondContact NH2-OD1 2.75Å; R30-D109 IonicContact NH2-OD2 3.4Å; R30-D109 PolarHBondContact NH2-OD2 3.16Å; F86-D109 HydrophobicContact CE1-CB 4.4Å; A105-D109 WeakPolarHBondContact O-CB 3.41Å; A105-D109 PolarHBondContact O-N 3.46Å; V106-D109 WeakPolarHBondContact O-CB 3.31Å; V106-D109 PolarHBondContact O-N 3.27Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.96Å; D109-S113 WeakPolarHBondContact O-CB 3.34Å; D109-S113 PolarHBondContact O-N 3.45Å; D109-S113 PolarHBondContact O-OG 3.06Å; D109-S113 PolarHBondContact OD1-OG 3.03Å; D109-A169 HydrophobicContact CB-CB 4.29Å
110I96.1Very high94Very high28 Ų2853 Ų5314%0.14428%0.276CS..Hα-helixtrans-59.1-50.7175-65.2163.3000110.6V106 L107 S113 A114 S166 A169 F170 Y173V106-I110 HydrophobicContact CG1-CD1 4.22Å; V106-I110 WeakPolarHBondContact O-CG1 3.27Å; V106-I110 PolarHBondContact O-N 3.46Å; L107-I110 PolarHBondContact O-N 2.87Å; I110-S113 PolarHBondContact O-N 3.36Å; I110-A114 WeakPolarHBondContact O-CB 3.39Å; I110-A114 PolarHBondContact O-N 3.07Å; I110-S166 PolarHBondContact O-OG 3.39Å; I110-A169 HydrophobicContact CG1-CB 3.6Å; I110-F170 HydrophobicContact CD1-CB 4.22Å; I110-F170 HydrophobicContact CD1-CD2 4.35Å; I110-F170 HydrophobicContact CG1-CB 4.4Å; I110-Y173 HydrophobicContact CD1-CG 4.28Å
111G96.8Very high94.7Very high40 Ų4050.3 Ų50.341%0.41226%0.264SS..Hα-helixtrans-64.9-48.1-174.900000112.7L107 A108 A114 F115L107-G111 PolarHBondContact O-N 3.42Å; A108-G111 PolarHBondContact O-N 2.82Å; G111-A114 PolarHBondContact O-N 2.82Å; G111-F115 WeakPolarHBondContact O-CB 3.37Å; G111-F115 PolarHBondContact O-N 3.44Å
112I97.1Very high95.3Very high64 Ų6449.5 Ų49.533%0.32826%0.262SS..Hα-helixtrans-68.3-38.9179.4-66.9167.6000110.5C82 F86 A108 F115 W116C82-I112 VanDerWaalsContact SG-CG2 3.58Å; F86-I112 HydrophobicContact CE1-CD1 4.31Å; F86-I112 HydrophobicContact CE2-CB 4Å; F86-I112 HydrophobicContact CE2-CD1 4.5Å; F86-I112 HydrophobicContact CE2-CG2 3.5Å; F86-I112 VanDerWaalsContact CE2-CG2 3.5Å; F86-I112 HydrophobicContact CZ-CB 3.7Å; F86-I112 HydrophobicContact CZ-CD1 3.65Å; F86-I112 HydrophobicContact CZ-CG1 4.25Å; F86-I112 HydrophobicContact CZ-CG2 3.67Å; A108-I112 HydrophobicContact CB-CD1 4.48Å; A108-I112 VanDerWaalsContact O-CB 3.31Å; A108-I112 WeakPolarHBondContact O-CB 3.45Å; A108-I112 VanDerWaalsContact O-CG1 3.27Å; A108-I112 WeakPolarHBondContact O-CG1 3.47Å; A108-I112 PolarHBondContact O-N 3.35Å; I112-F115 PolarHBondContact O-N 3.45Å; I112-W116 VanDerWaalsContact O-CD1 3.28Å; I112-W116 PolarHBondContact O-N 3Å
113S97.4Very high95.8Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-66-40.6177-62.60000112.2D109 I110 W116 S117D109-S113 WeakPolarHBondContact O-CB 3.34Å; D109-S113 PolarHBondContact O-N 3.45Å; D109-S113 PolarHBondContact O-OG 3.06Å; D109-S113 PolarHBondContact OD1-OG 3.03Å; I110-S113 PolarHBondContact O-N 3.36Å; S113-W116 PolarHBondContact O-N 3.21Å; S113-S117 PolarHBondContact O-N 3.35Å
114A97.7Very high96.3Very high41 Ų4147.3 Ų47.334%0.33925%0.252SS..Hα-helixtrans-63.6-44.1173.100000111.6I110 G111 W116 S117 F118I110-A114 WeakPolarHBondContact O-CB 3.39Å; I110-A114 PolarHBondContact O-N 3.07Å; G111-A114 PolarHBondContact O-N 2.82Å; A114-W116 VanDerWaalsContact C-N 3.35Å; A114-W116 PolarHBondContact O-N 3.47Å; A114-S117 PolarHBondContact O-N 3.27Å; A114-S117 PolarHBondContact O-OG 3.45Å; A114-F118 PolarHBondContact O-N 3.02Å
115F97.9Very high96.7Very high107 Ų10743.2 Ų43.247%0.46924%0.241SC..Hα-helixtrans-56.9-47.1174.7170.4-101.1000112G111 I112 S117 F118 M119G111-F115 WeakPolarHBondContact O-CB 3.37Å; G111-F115 PolarHBondContact O-N 3.44Å; I112-F115 PolarHBondContact O-N 3.45Å; F115-S117 PolarHBondContact O-N 3Å; F115-F118 PolarHBondContact O-N 3.19Å; F115-M119 HydrophobicContact CD1-CG 4.21Å; F115-M119 HydrophobicContact CD2-CG 4.25Å; F115-M119 HydrophobicContact CE1-CG 3.73Å; F115-M119 HydrophobicContact CE2-CE 4.19Å; F115-M119 HydrophobicContact CE2-CG 3.77Å; F115-M119 HydrophobicContact CE2-SD 4.07Å; F115-M119 HydrophobicContact CG-CG 4.46Å; F115-M119 HydrophobicContact CZ-CG 3.49Å; F115-M119 VanDerWaalsContact CZ-CG 3.49Å; F115-M119 HydrophobicContact CZ-SD 3.9Å; F115-M119 WeakPolarHBondContact O-CG 3.38Å; F115-M119 PolarHBondContact O-N 3.46Å
116W97.8Very high97Very high10 Ų1045.4 Ų45.44%0.03825%0.248CC..Hα-helixtrans-65.1-38.5178.7-85.9113.7000113.3M75 M78 A79 C82 I112 S113 A114 F118 M119 W120 W162M75-W116 HydrophobicContact CB-CZ3 4.33Å; M75-W116 HydrophobicContact CE-CE3 4.37Å; M75-W116 HydrophobicContact CE-CH2 3.95Å; M75-W116 HydrophobicContact CE-CZ3 3.59Å; M75-W116 WeakPolarHBondContact O-CH2 3.49Å; M75-W116 WeakPolarHBondContact O-CZ3 3.26Å; M75-W116 HydrophobicContact SD-CH2 4.49Å; M78-W116 HydrophobicContact CB-CH2 3.89Å; M78-W116 HydrophobicContact CB-CZ2 4.01Å; M78-W116 HydrophobicContact CG-CH2 4.12Å; M78-W116 HydrophobicContact CG-CZ2 3.78Å; A79-W116 HydrophobicContact CB-CD2 4.37Å; A79-W116 HydrophobicContact CB-CE3 4.05Å; A79-W116 HydrophobicContact CB-CH2 3.67Å; A79-W116 HydrophobicContact CB-CZ2 3.99Å; A79-W116 HydrophobicContact CB-CZ3 3.67Å; A79-W116 VanDerWaalsContact N-CH2 3.32Å; C82-W116 PolarHBondContact SG-NE1 3.38Å; I112-W116 VanDerWaalsContact O-CD1 3.28Å; I112-W116 PolarHBondContact O-N 3Å; S113-W116 PolarHBondContact O-N 3.21Å; A114-W116 VanDerWaalsContact C-N 3.35Å; A114-W116 PolarHBondContact O-N 3.47Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 3.07Å; W116-M119 HydrophobicContact CE3-CB 4.2Å; W116-M119 PolarHBondContact O-N 3.2Å; W116-W120 AromaticContact CE3-CD1 4Å; W116-W120 AromaticContact CE3-NE1 3.51Å; W116-W120 HydrophobicContact CZ3-CZ2 4.33Å; W116-W120 PolarHBondContact O-N 3.21Å; W116-W162 HydrophobicContact CB-CB 4.4Å; W116-W162 HydrophobicContact CB-CD2 3.42Å; W116-W162 VanDerWaalsContact CB-CD2 3.42Å; W116-W162 HydrophobicContact CB-CE3 3.63Å; W116-W162 HydrophobicContact CB-CG 3.8Å; W116-W162 HydrophobicContact CB-CH2 4.2Å; W116-W162 HydrophobicContact CB-CZ2 4.08Å; W116-W162 HydrophobicContact CB-CZ3 4Å; W116-W162 AromaticContact CD1-CH2 3.58Å; W116-W162 AromaticContact CD1-CZ3 3.73Å; W116-W162 HydrophobicContact CD2-CZ2 4.3Å; W116-W162 HydrophobicContact CG-CD2 4.13Å; W116-W162 AromaticContact CG-CE2 3.99Å; W116-W162 HydrophobicContact CG-CE3 4.18Å; W116-W162 AromaticContact CG-CH2 3.88Å; W116-W162 HydrophobicContact CG-CH2 3.88Å; W116-W162 AromaticContact CG-CZ2 3.87Å; W116-W162 HydrophobicContact CG-CZ2 3.87Å; W116-W162 HydrophobicContact CG-CZ3 4.04Å
117S98Very high97.3Very high20 Ų2045.2 Ų45.214%0.1425%0.246CC..Hα-helixtrans-58.6-42.9174.366.40000112.4S113 A114 F115 W120 F121S113-S117 PolarHBondContact O-N 3.35Å; A114-S117 PolarHBondContact O-N 3.27Å; A114-S117 PolarHBondContact O-OG 3.45Å; F115-S117 PolarHBondContact O-N 3Å; S117-W120 PolarHBondContact O-N 3.42Å; S117-F121 PolarHBondContact O-N 2.79Å
118F98.3Very high97.5Very high120 Ų12041.8 Ų41.853%0.52623%0.233SC..Hα-helixtrans-67.2-43.7176.8174.9-110.1000111.8A114 F115 W116 W120 F121 V122A114-F118 PolarHBondContact O-N 3.02Å; F115-F118 PolarHBondContact O-N 3.19Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 3.07Å; F118-W120 PolarHBondContact O-N 2.81Å; F118-F121 WeakPolarHBondContact O-CB 3.47Å; F118-F121 PolarHBondContact O-N 3.35Å; F118-V122 HydrophobicContact CD2-CG2 4.29Å; F118-V122 HydrophobicContact CE1-CG2 4Å; F118-V122 HydrophobicContact CE2-CG2 3.77Å; F118-V122 HydrophobicContact CZ-CG2 3.61Å; F118-V122 WeakPolarHBondContact O-CG2 3.32Å; F118-V122 PolarHBondContact O-N 3.36Å
119M97.9Very high97.6Very high36 Ų3643.6 Ų43.618%0.17724%0.236CC..Hα-helixtrans-59.2-44.9175.8-73.7-6499.900112.2Y71 M75 F115 W116 F121 V122 G123Y71-M119 PolarHBondContact OH-O 2.95Å; M75-M119 HydrophobicContact CE-CB 3.5Å; M75-M119 HydrophobicContact CE-CG 3.54Å; M75-M119 HydrophobicContact CE-SD 3.63Å; F115-M119 HydrophobicContact CD1-CG 4.21Å; F115-M119 HydrophobicContact CD2-CG 4.25Å; F115-M119 HydrophobicContact CE1-CG 3.73Å; F115-M119 HydrophobicContact CE2-CE 4.19Å; F115-M119 HydrophobicContact CE2-CG 3.77Å; F115-M119 HydrophobicContact CE2-SD 4.07Å; F115-M119 HydrophobicContact CG-CG 4.46Å; F115-M119 HydrophobicContact CZ-CG 3.49Å; F115-M119 VanDerWaalsContact CZ-CG 3.49Å; F115-M119 HydrophobicContact CZ-SD 3.9Å; F115-M119 WeakPolarHBondContact O-CG 3.38Å; F115-M119 PolarHBondContact O-N 3.46Å; W116-M119 HydrophobicContact CE3-CB 4.2Å; W116-M119 PolarHBondContact O-N 3.2Å; M119-F121 VanDerWaalsContact C-N 3.33Å; M119-F121 PolarHBondContact O-N 3.5Å; M119-V122 PolarHBondContact O-N 2.9Å; M119-G123 PolarHBondContact O-N 2.76Å
120W98.3Very high97.7Very high1 Ų144.4 Ų44.40%0.00424%0.24CC..Hα-helixtrans-66.3-33.7176.5-74.9118.9000113.1I40 A79 W116 S117 F118 G123 F124 S158 I159 W162I40-W120 HydrophobicContact CB-CH2 4.32Å; I40-W120 HydrophobicContact CD1-CE3 4.14Å; I40-W120 HydrophobicContact CD1-CH2 3.47Å; I40-W120 VanDerWaalsContact CD1-CH2 3.47Å; I40-W120 HydrophobicContact CD1-CZ2 4.11Å; I40-W120 HydrophobicContact CD1-CZ3 3.5Å; I40-W120 HydrophobicContact CG1-CH2 4.48Å; I40-W120 HydrophobicContact CG2-CH2 3.99Å; I40-W120 HydrophobicContact CG2-CZ3 3.97Å; A79-W120 HydrophobicContact CB-CZ2 3.7Å; W116-W120 AromaticContact CE3-CD1 4Å; W116-W120 AromaticContact CE3-NE1 3.51Å; W116-W120 HydrophobicContact CZ3-CZ2 4.33Å; W116-W120 PolarHBondContact O-N 3.21Å; S117-W120 PolarHBondContact O-N 3.42Å; F118-W120 PolarHBondContact O-N 2.81Å; W120-G123 PolarHBondContact O-N 2.67Å; W120-F124 VanDerWaalsContact O-CB 3.25Å; W120-F124 WeakPolarHBondContact O-CB 3.47Å; W120-F124 PolarHBondContact O-N 2.8Å; W120-S158 PolarHBondContact NE1-OG 3.35Å; W120-S158 VanDerWaalsContact NE1-OG 3.14Å; W120-I159 HydrophobicContact CB-CG1 3.9Å; W120-W162 AromaticContact CD1-CD1 3.25Å; W120-W162 AromaticContact CD1-NE1 3.44Å; W120-W162 AromaticContact NE1-CD1 3.51Å; W120-W162 AromaticContact NE1-NE1 3.14Å; W120-W162 VanDerWaalsContact NE1-NE1 3.14Å
121F98.4Very high97.7Very high110 Ų11046.7 Ų46.748%0.48225%0.247SC..Hα-helixtrans-62.9-50.3172.6174.2-102.4000111.8S117 F118 M119 G123 F124 C125 I159S117-F121 PolarHBondContact O-N 2.79Å; F118-F121 WeakPolarHBondContact O-CB 3.47Å; F118-F121 PolarHBondContact O-N 3.35Å; M119-F121 VanDerWaalsContact C-N 3.33Å; M119-F121 PolarHBondContact O-N 3.5Å; F121-G123 VanDerWaalsContact C-N 3.31Å; F121-G123 PolarHBondContact O-N 2.89Å; F121-F124 PolarHBondContact O-N 2.93Å; F121-C125 PolarHBondContact O-N 3.42Å; F121-C125 PolarHBondContact O-SG 3Å; F121-C125 VanDerWaalsContact O-SG 3.35Å; F121-I159 HydrophobicContact CB-CD1 4.04Å; F121-I159 HydrophobicContact CB-CG1 4.31Å; F121-I159 HydrophobicContact CD2-CD1 4.15Å
122V98.1Very high97.7Very high57 Ų5752.3 Ų52.335%0.34526%0.262SS..Hα-helixtrans-60.2-44176173.20000110.7F118 M119 C125 F126F118-V122 HydrophobicContact CD2-CG2 4.29Å; F118-V122 HydrophobicContact CE1-CG2 4Å; F118-V122 HydrophobicContact CE2-CG2 3.77Å; F118-V122 HydrophobicContact CZ-CG2 3.61Å; F118-V122 WeakPolarHBondContact O-CG2 3.32Å; F118-V122 PolarHBondContact O-N 3.36Å; M119-V122 PolarHBondContact O-N 2.9Å; V122-C125 PolarHBondContact O-N 3.49Å; V122-F126 VanDerWaalsContact O-CB 3.28Å; V122-F126 WeakPolarHBondContact O-CB 3.21Å; V122-F126 PolarHBondContact O-N 3.26Å
123G97.7Very high97.6Very high0 Ų052.2 Ų52.20%027%0.265CS..Hα-helixtrans-63-44.5179.600000113.6Y71 M119 W120 F121 F126 L127Y71-G123 VanDerWaalsContact CZ-CA 3.43Å; Y71-G123 WeakPolarHBondContact OH-CA 3.5Å; Y71-G123 PolarHBondContact OH-N 3.43Å; M119-G123 PolarHBondContact O-N 2.76Å; W120-G123 PolarHBondContact O-N 2.67Å; F121-G123 VanDerWaalsContact C-N 3.31Å; F121-G123 PolarHBondContact O-N 2.89Å; G123-F126 PolarHBondContact O-N 3.3Å; G123-L127 WeakPolarHBondContact O-CB 3.32Å; G123-L127 VanDerWaalsContact O-CG 3.28Å; G123-L127 WeakPolarHBondContact O-CG 3.18Å; G123-L127 PolarHBondContact O-N 3.19Å
124F98.3Very high97.3Very high52 Ų5253.7 Ų53.723%0.22828%0.275CS..Hα-helixtrans-57.4-53173.1163.7-107.5000111W120 F121 F126 L127 A128 I152 F156 I159W120-F124 VanDerWaalsContact O-CB 3.25Å; W120-F124 WeakPolarHBondContact O-CB 3.47Å; W120-F124 PolarHBondContact O-N 2.8Å; F121-F124 PolarHBondContact O-N 2.93Å; F124-F126 VanDerWaalsContact C-N 3.29Å; F124-F126 PolarHBondContact O-N 3.42Å; F124-L127 PolarHBondContact O-N 2.8Å; F124-A128 HydrophobicContact CE2-CB 4.25Å; F124-A128 WeakPolarHBondContact O-CB 3.4Å; F124-A128 PolarHBondContact O-N 2.77Å; F124-I152 HydrophobicContact CD2-CG2 3.82Å; F124-I152 HydrophobicContact CE2-CG2 3.72Å; F124-F156 HydrophobicContact CD1-CD2 4.15Å; F124-F156 HydrophobicContact CD2-CB 3.62Å; F124-F156 HydrophobicContact CD2-CD2 4.38Å; F124-F156 HydrophobicContact CD2-CG 4.44Å; F124-F156 AromaticContact CE1-CD2 3.95Å; F124-F156 HydrophobicContact CE1-CD2 3.95Å; F124-F156 HydrophobicContact CE2-CB 3.81Å; F124-F156 HydrophobicContact CE2-CD2 4.19Å; F124-F156 HydrophobicContact CE2-CG 4.29Å; F124-F156 HydrophobicContact CG-CB 4.1Å; F124-F156 HydrophobicContact CG-CD2 4.35Å; F124-F156 HydrophobicContact CZ-CB 4.44Å; F124-F156 AromaticContact CZ-CD2 3.96Å; F124-F156 HydrophobicContact CZ-CD2 3.96Å; F124-F156 HydrophobicContact CZ-CG 4.48Å; F124-I159 HydrophobicContact CB-CD1 4.37Å
125C98.3Very high96.9Very high55 Ų5557.3 Ų57.337%0.37228%0.283SS..Hα-helixtrans-58.5-43179.3-70.10000111.6F121 V122 N129F121-C125 PolarHBondContact O-N 3.42Å; F121-C125 PolarHBondContact O-SG 3Å; F121-C125 VanDerWaalsContact O-SG 3.35Å; V122-C125 PolarHBondContact O-N 3.49Å; C125-N129 WeakPolarHBondContact O-CB 3.48Å; C125-N129 PolarHBondContact O-N 3.48Å
126F98.1Very high96.2Very high61 Ų6157.7 Ų57.727%0.26829%0.286SS..Hα-helixtrans-65.7-52.8-179.9177.2-130.9000112.3A68 Y71 V122 G123 F124 N129 Q130A68-F126 HydrophobicContact CB-CE1 4.05Å; A68-F126 HydrophobicContact CB-CZ 4.06Å; Y71-F126 HydrophobicContact CD1-CD1 4.07Å; Y71-F126 HydrophobicContact CG-CD1 4.15Å; Y71-F126 HydrophobicContact CG-CE1 4.27Å; V122-F126 VanDerWaalsContact O-CB 3.28Å; V122-F126 WeakPolarHBondContact O-CB 3.21Å; V122-F126 PolarHBondContact O-N 3.26Å; G123-F126 PolarHBondContact O-N 3.3Å; F124-F126 VanDerWaalsContact C-N 3.29Å; F124-F126 PolarHBondContact O-N 3.42Å; F126-N129 PolarHBondContact O-N 3.14Å; F126-Q130 HydrophobicContact CD2-CG 4.02Å; F126-Q130 HydrophobicContact CE2-CG 3.67Å; F126-Q130 HydrophobicContact CZ-CG 4.17Å; F126-Q130 WeakPolarHBondContact O-CG 3.44Å; F126-Q130 PolarHBondContact O-N 3.23Å
127L97.7Very high95.4Very high0 Ų062.6 Ų62.60%031%0.309CS..Hα-helixtrans-64-42.6-179.9-67.5175.3000111.6I44 F62 A68 G123 F124 N129 Q130 W131 I152I44-L127 HydrophobicContact CD1-CD1 4.46Å; F62-L127 HydrophobicContact CD2-CD2 3.89Å; F62-L127 HydrophobicContact CE2-CD2 3.85Å; F62-L127 HydrophobicContact CG-CD2 4.29Å; F62-L127 HydrophobicContact CZ-CD2 4.21Å; A68-L127 HydrophobicContact CB-CD2 4.26Å; G123-L127 WeakPolarHBondContact O-CB 3.32Å; G123-L127 VanDerWaalsContact O-CG 3.28Å; G123-L127 WeakPolarHBondContact O-CG 3.18Å; G123-L127 PolarHBondContact O-N 3.19Å; F124-L127 PolarHBondContact O-N 2.8Å; L127-N129 PolarHBondContact O-N 2.88Å; L127-Q130 PolarHBondContact O-N 3.31Å; L127-W131 VanDerWaalsContact O-CB 3.29Å; L127-W131 WeakPolarHBondContact O-CB 3.1Å; L127-W131 PolarHBondContact O-N 3.4Å; L127-I152 HydrophobicContact CB-CG1 3.94Å
128A97.8Very high94.7Very high28 Ų2862.5 Ų62.523%0.23131%0.307CS..Hα-helixtrans-62.5-4317700000111.8F124 W131 Q132 I152F124-A128 HydrophobicContact CE2-CB 4.25Å; F124-A128 WeakPolarHBondContact O-CB 3.4Å; F124-A128 PolarHBondContact O-N 2.77Å; A128-W131 PolarHBondContact O-N 3.49Å; A128-Q132 WeakPolarHBondContact O-CB 3.43Å; A128-Q132 PolarHBondContact O-N 3.2Å; A128-I152 HydrophobicContact CB-CG2 4.08Å
129N97.9Very high94Very high81 Ų8157.7 Ų57.743%0.43329%0.287SS..Hα-helixtrans-64.6-45.3177-179.473.4000111.7C125 F126 L127 W131 Q132 V133C125-N129 WeakPolarHBondContact O-CB 3.48Å; C125-N129 PolarHBondContact O-N 3.48Å; F126-N129 PolarHBondContact O-N 3.14Å; L127-N129 PolarHBondContact O-N 2.88Å; N129-W131 VanDerWaalsContact C-N 3.31Å; N129-W131 PolarHBondContact O-N 3.06Å; N129-Q132 PolarHBondContact O-N 2.82Å; N129-V133 WeakPolarHBondContact O-CG2 3.24Å; N129-V133 PolarHBondContact O-N 3.32Å
130Q97.1Very high93.1Very high22 Ų2259.2 Ų59.210%0.10330%0.3CS..Hα-helixtrans-63.5-38.6176.3-65.6-59.3-62.500111.4F62 N63 N65 A68 F126 L127 V133 S134F62-Q130 HydrophobicContact CB-CB 3.8Å; N63-Q130 HydrophobicContact CB-CB 4.38Å; N63-Q130 WeakPolarHBondContact CB-O 3.41Å; N63-Q130 PolarHBondContact ND2-OE1 3.03Å; N65-Q130 PolarHBondContact ND2-OE1 3.49Å; A68-Q130 HydrophobicContact CB-CB 4.47Å; A68-Q130 HydrophobicContact CB-CG 4.17Å; F126-Q130 HydrophobicContact CD2-CG 4.02Å; F126-Q130 HydrophobicContact CE2-CG 3.67Å; F126-Q130 HydrophobicContact CZ-CG 4.17Å; F126-Q130 WeakPolarHBondContact O-CG 3.44Å; F126-Q130 PolarHBondContact O-N 3.23Å; L127-Q130 PolarHBondContact O-N 3.31Å; Q130-V133 WeakPolarHBondContact O-CG2 3.44Å; Q130-V133 PolarHBondContact O-N 2.77Å; Q130-S134 PolarHBondContact O-N 2.96Å; Q130-S134 PolarHBondContact O-OG 2.96Å
131W96.2Very high92.3Very high76 Ų7664.5 Ų64.529%0.28833%0.327SS..Hα-helixtrans-64.3-42.8174.7-177.8-114.3000112.8I61 F62 L127 A128 N129 V133 S134 A148 R149 I152I61-W131 HydrophobicContact CD1-CZ3 4.24Å; I61-W131 HydrophobicContact CG1-CZ3 3.79Å; F62-W131 HydrophobicContact CD1-CB 3.89Å; F62-W131 HydrophobicContact CD1-CE3 4.17Å; F62-W131 HydrophobicContact CE1-CB 4.09Å; F62-W131 HydrophobicContact CE1-CE3 4.3Å; L127-W131 VanDerWaalsContact O-CB 3.29Å; L127-W131 WeakPolarHBondContact O-CB 3.1Å; L127-W131 PolarHBondContact O-N 3.4Å; A128-W131 PolarHBondContact O-N 3.49Å; N129-W131 VanDerWaalsContact C-N 3.31Å; N129-W131 PolarHBondContact O-N 3.06Å; W131-V133 VanDerWaalsContact C-N 3.28Å; W131-V133 PolarHBondContact O-N 3.31Å; W131-S134 WeakPolarHBondContact CA-OG 3.32Å; W131-S134 VanDerWaalsContact O-CB 3.23Å; W131-S134 WeakPolarHBondContact O-CB 3.48Å; W131-S134 PolarHBondContact O-N 2.95Å; W131-S134 VanDerWaalsContact O-N 3.09Å; W131-S134 PolarHBondContact O-OG 3.49Å; W131-A148 HydrophobicContact CD2-CB 4.49Å; W131-A148 HydrophobicContact CE3-CB 4.03Å; W131-A148 HydrophobicContact CH2-CB 4.2Å; W131-A148 HydrophobicContact CZ3-CB 3.91Å; W131-R149 HydrophobicContact CZ2-CG 4.05Å; W131-I152 HydrophobicContact CB-CD1 3.49Å; W131-I152 VanDerWaalsContact CB-CD1 3.49Å; W131-I152 HydrophobicContact CD2-CD1 4.47Å; W131-I152 HydrophobicContact CG-CD1 3.62Å
132Q95.7Very high91.5Very high158 Ų15868.4 Ų68.474%0.73834%0.339SS*.Hα-helixtrans-60.3-37.6179.7-172.1-162.4-62.500112.6A128 N129 S134A128-Q132 WeakPolarHBondContact O-CB 3.43Å; A128-Q132 PolarHBondContact O-N 3.2Å; N129-Q132 PolarHBondContact O-N 2.82Å; Q132-S134 VanDerWaalsContact C-N 3.34Å
133V94.7Very high90.9Very high62 Ų6270.8 Ų70.838%0.37635%0.346SS..Hα-helixtrans-88.5-2.8179.6-56.80000113.1N63 N129 Q130 W131N63-V133 HydrophobicContact CB-CG2 3.9Å; N129-V133 WeakPolarHBondContact O-CG2 3.24Å; N129-V133 PolarHBondContact O-N 3.32Å; Q130-V133 WeakPolarHBondContact O-CG2 3.44Å; Q130-V133 PolarHBondContact O-N 2.77Å; W131-V133 VanDerWaalsContact C-N 3.28Å; W131-V133 PolarHBondContact O-N 3.31Å
134S91.8Very high90.3Very high30 Ų3071.3 Ų71.321%0.2135%0.352CS..  trans-66.5134.9176.5-60.90000110.1I61 N63 Q130 W131 Q132I61-S134 PolarHBondContact O-OG 3.32Å; N63-S134 WeakPolarHBondContact CA-OG 3.35Å; N63-S134 PolarHBondContact N-OG 2.86Å; Q130-S134 PolarHBondContact O-N 2.96Å; Q130-S134 PolarHBondContact O-OG 2.96Å; W131-S134 WeakPolarHBondContact CA-OG 3.32Å; W131-S134 VanDerWaalsContact O-CB 3.23Å; W131-S134 WeakPolarHBondContact O-CB 3.48Å; W131-S134 PolarHBondContact O-N 2.95Å; W131-S134 VanDerWaalsContact O-N 3.09Å; W131-S134 PolarHBondContact O-OG 3.49Å; Q132-S134 VanDerWaalsContact C-N 3.34Å
135K88.7Confident90Very high117 Ų11769.4 Ų69.451%0.50935%0.347SS..  trans-99.7147.2-174.2-54.8-178.3-175179.40111.6E137 D138K135-E137 HydrophobicContact CB-CG 3.71Å; K135-E137 HydrophobicContact CD-CG 3.98Å; K135-E137 WeakPolarHBondContact CD-OE1 3.08Å; K135-E137 IonicContact NZ-OE1 2.79Å; K135-E137 PolarHBondContact NZ-OE1 2.88Å; K135-E137 PolarHBondContact O-N 3.31Å; K135-D138 WeakPolarHBondContact O-CB 3.33Å; K135-D138 PolarHBondContact O-N 3.36Å
136Q83.4Confident89.8Confident115 Ų11572.9 Ų72.954%0.53736%0.362SS..G310 helixtrans-63-27.6176.9-168.860.533.800112.7D138 N139 R142Q136-D138 PolarHBondContact O-N 3.4Å; Q136-N139 PolarHBondContact NE2-O 3.48Å; Q136-N139 CarbonylContact O-C 3.17Å; Q136-N139 PolarHBondContact O-N 2.93Å; Q136-R142 VanDerWaalsContact NE2-CG 3.25Å
137E81.9Confident89.6Confident113 Ų11370.3 Ų70.353%0.52835%0.352SS..G310 helixtrans-64.8-23.6174.663.1-172.2-175.700113.3K135K135-E137 HydrophobicContact CB-CG 3.71Å; K135-E137 HydrophobicContact CD-CG 3.98Å; K135-E137 WeakPolarHBondContact CD-OE1 3.08Å; K135-E137 IonicContact NZ-OE1 2.79Å; K135-E137 PolarHBondContact NZ-OE1 2.88Å; K135-E137 PolarHBondContact O-N 3.31Å
138D82Confident89.5Confident19 Ų1970.5 Ų70.510%0.10235%0.353CS..G310 helixtrans-79.4-23.4176.3-61.3-38.6000112.4R52 R64 K135 Q136R52-D138 IonicContact CZ-OD1 3.29Å; R52-D138 IonicContact NE-OD1 3.38Å; R52-D138 PolarHBondContact NE-OD1 3.36Å; R52-D138 IonicContact NH2-OD1 3.64Å; R52-D138 PolarHBondContact NH2-OD1 3.49Å; R64-D138 WeakPolarHBondContact CD-OD1 3.45Å; R64-D138 HydrophobicContact CG-CB 4.4Å; K135-D138 WeakPolarHBondContact O-CB 3.33Å; K135-D138 PolarHBondContact O-N 3.36Å; Q136-D138 PolarHBondContact O-N 3.4Å
139N83.6Confident89.5Confident19 Ų1976.1 Ų76.110%0.10237%0.368CS..  trans-139.370.3-179.8-171.53.6000111.7I50 Q136 L141 R142 E143I50-N139 HydrophobicContact CD1-CB 3.56Å; Q136-N139 PolarHBondContact NE2-O 3.48Å; Q136-N139 CarbonylContact O-C 3.17Å; Q136-N139 PolarHBondContact O-N 2.93Å; N139-L141 PolarHBondContact O-N 2.92Å; N139-R142 PolarHBondContact O-N 3.02Å; N139-R142 WeakPolarHBondContact OD1-CA 3.31Å; N139-R142 PolarHBondContact OD1-N 3.32Å; N139-E143 PolarHBondContact ND2-N 3.17Å; N139-E143 PolarHBondContact ND2-O 3.3Å; N139-E143 PolarHBondContact OD1-N 2.66Å; N139-E143 VanDerWaalsContact OD1-N 3.13Å
140P79Confident89.4Confident68 Ų6873.5 Ų73.544%0.44236%0.358SS..THydrogen-bonded Turntrans-64.7-28.4-17725.5-33.9000112.9P53P53-P140 HydrophobicContact CG-CG 3.77Å
141L81.6Confident89.5Confident111 Ų11172.4 Ų72.458%0.58135%0.353SS*.THydrogen-bonded Turntrans-84.7-7.5-179.2-62.3175.3000113.5P53 N139 E143P53-L141 HydrophobicContact CG-CD1 4.38Å; N139-L141 PolarHBondContact O-N 2.92Å; L141-E143 HydrophobicContact CB-CG 3.92Å; L141-E143 PolarHBondContact O-N 3.43Å
142R81.9Confident89.6Confident193 Ų19369.5 Ų69.573%0.72834%0.343SS*.  trans57.831.2-178.4-58.9179.665178.6-0.9113.6Q136 N139Q136-R142 VanDerWaalsContact NE2-CG 3.25Å; N139-R142 PolarHBondContact O-N 3.02Å; N139-R142 WeakPolarHBondContact OD1-CA 3.31Å; N139-R142 PolarHBondContact OD1-N 3.32Å
143E84.8Confident89.7Confident106 Ų10665.1 Ų65.150%0.49533%0.327SS..THydrogen-bonded Turntrans-75.9145.6177.8-67.5178.5-179.200110.8I61 N139 L141 G145I61-E143 WeakPolarHBondContact CD1-O 3.42Å; N139-E143 PolarHBondContact ND2-N 3.17Å; N139-E143 PolarHBondContact ND2-O 3.3Å; N139-E143 PolarHBondContact OD1-N 2.66Å; N139-E143 VanDerWaalsContact OD1-N 3.13Å; L141-E143 HydrophobicContact CB-CG 3.92Å; L141-E143 PolarHBondContact O-N 3.43Å; E143-G145 PolarHBondContact O-N 2.99Å
144G86.2Confident89.8Confident12 Ų1265 Ų6512%0.12432%0.322CS..THydrogen-bonded Turntrans66.2-0.1177.700000116.1I61 D146 A147 A148I61-G144 WeakPolarHBondContact CD1-O 3.33Å; G144-D146 VanDerWaalsContact C-N 3.32Å; G144-D146 PolarHBondContact O-N 2.57Å; G144-A147 PolarHBondContact O-N 3.28Å; G144-A148 PolarHBondContact O-N 2.92Å
145G91.8Very high90.1Very high12 Ų1263.6 Ų63.612%0.12431%0.312CS..Hα-helixtrans-63.5-36.6-177.800000113.2E143 R149E143-G145 PolarHBondContact O-N 2.99Å; G145-R149 WeakPolarHBondContact O-CB 3.34Å; G145-R149 VanDerWaalsContact O-CG 3.23Å; G145-R149 WeakPolarHBondContact O-CG 3.48Å; G145-R149 PolarHBondContact O-N 3.26Å
146D93.5Very high90.6Very high128 Ų12861.7 Ų61.768%0.68430%0.304SS*.Hα-helixtrans-70.3-38.4175.3-73-27.6000111.7G144 R149 A150G144-D146 VanDerWaalsContact C-N 3.32Å; G144-D146 PolarHBondContact O-N 2.57Å; D146-R149 PolarHBondContact O-N 3.5Å; D146-R149 IonicContact OD1-NH1 3.42Å; D146-A150 VanDerWaalsContact O-CB 3.31Å; D146-A150 WeakPolarHBondContact O-CB 3.35Å; D146-A150 PolarHBondContact O-N 3.37Å
147A94.8Very high91.3Very high7 Ų760.9 Ų60.96%0.05830%0.298CS..Hα-helixtrans-63.8-42.7173.100000112.3C43 E47 G144 R149 A150 A151C43-A147 HydrophobicContact CB-CB 3.96Å; E47-A147 HydrophobicContact CB-CB 3.72Å; E47-A147 HydrophobicContact CG-CB 4.37Å; E47-A147 VanDerWaalsContact OE2-CB 3.24Å; E47-A147 WeakPolarHBondContact OE2-CB 3.25Å; G144-A147 PolarHBondContact O-N 3.28Å; A147-R149 PolarHBondContact O-N 3.4Å; A147-A150 PolarHBondContact O-N 3.12Å; A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 3.3Å
148A95.7Very high92.1Very high3 Ų355.5 Ų55.53%0.02527%0.273CS..Hα-helixtrans-61.2-44.7175.200000111.9I61 F62 W131 G144 A151 I152I61-A148 HydrophobicContact CD1-CB 4.05Å; I61-A148 HydrophobicContact CG1-CB 4.34Å; I61-A148 HydrophobicContact CG2-CB 3.99Å; F62-A148 HydrophobicContact CE1-CB 3.89Å; F62-A148 HydrophobicContact CZ-CB 3.89Å; W131-A148 HydrophobicContact CD2-CB 4.49Å; W131-A148 HydrophobicContact CE3-CB 4.03Å; W131-A148 HydrophobicContact CH2-CB 4.2Å; W131-A148 HydrophobicContact CZ3-CB 3.91Å; G144-A148 PolarHBondContact O-N 2.92Å; A148-A151 PolarHBondContact O-N 3.15Å; A148-I152 WeakPolarHBondContact O-CG1 3.45Å; A148-I152 PolarHBondContact O-N 3.15Å; A148-I152 VanDerWaalsContact O-N 3.1Å
149R96.5Very high92.9Very high146 Ų14655.7 Ų55.755%0.55127%0.274SS*.Hα-helixtrans-65.8-41.5176.6-70174.376.4-126.8-0.3111.8W131 G145 D146 A147 I152 T153W131-R149 HydrophobicContact CZ2-CG 4.05Å; G145-R149 WeakPolarHBondContact O-CB 3.34Å; G145-R149 VanDerWaalsContact O-CG 3.23Å; G145-R149 WeakPolarHBondContact O-CG 3.48Å; G145-R149 PolarHBondContact O-N 3.26Å; D146-R149 PolarHBondContact O-N 3.5Å; D146-R149 IonicContact OD1-NH1 3.42Å; A147-R149 PolarHBondContact O-N 3.4Å; R149-I152 PolarHBondContact O-N 3.28Å; R149-T153 WeakPolarHBondContact O-CB 3.25Å; R149-T153 PolarHBondContact O-N 2.79Å; R149-T153 PolarHBondContact O-OG1 3.42Å; R149-T153 VanDerWaalsContact O-OG1 3.09Å
150A97.4Very high93.5Very high26 Ų2660.9 Ų60.922%0.21530%0.296CS..Hα-helixtrans-58.1-50.6173.500000110.6D146 A147 I152 T153 F154D146-A150 VanDerWaalsContact O-CB 3.31Å; D146-A150 WeakPolarHBondContact O-CB 3.35Å; D146-A150 PolarHBondContact O-N 3.37Å; A147-A150 PolarHBondContact O-N 3.12Å; A150-I152 VanDerWaalsContact C-N 3.28Å; A150-I152 PolarHBondContact O-N 3.47Å; A150-T153 PolarHBondContact O-N 3.32Å; A150-T153 VanDerWaalsContact O-N 3.11Å; A150-F154 HydrophobicContact CB-CD2 4.21Å; A150-F154 HydrophobicContact CB-CE2 4.33Å; A150-F154 WeakPolarHBondContact O-CB 3.5Å; A150-F154 WeakPolarHBondContact O-CD2 3.41Å; A150-F154 PolarHBondContact O-N 2.99Å
151A97.7Very high94.4Very high0 Ų058.1 Ų58.10%028%0.278CS..Hα-helixtrans-56-41.6178.600000112.6C43 I44 A147 A148 S155C43-A151 HydrophobicContact CB-CB 4.38Å; I44-A151 HydrophobicContact CD1-CB 3.92Å; I44-A151 HydrophobicContact CG1-CB 3.78Å; A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 3.3Å; A148-A151 PolarHBondContact O-N 3.15Å; A151-S155 VanDerWaalsContact O-CB 3.31Å; A151-S155 WeakPolarHBondContact O-CB 3.48Å; A151-S155 PolarHBondContact O-N 3.12Å; A151-S155 PolarHBondContact O-OG 3.3Å
152I98.2Very high95.2Very high15 Ų1552.9 Ų52.98%0.07725%0.25CS..Hα-helixtrans-64.3-49.6175-67.7163.9000111.2F62 F124 L127 A128 W131 A148 R149 A150 S155 F156F62-I152 HydrophobicContact CE1-CD1 3.79Å; F62-I152 HydrophobicContact CE1-CG1 4.08Å; F62-I152 HydrophobicContact CZ-CG1 4.44Å; F124-I152 HydrophobicContact CD2-CG2 3.82Å; F124-I152 HydrophobicContact CE2-CG2 3.72Å; L127-I152 HydrophobicContact CB-CG1 3.94Å; A128-I152 HydrophobicContact CB-CG2 4.08Å; W131-I152 HydrophobicContact CB-CD1 3.49Å; W131-I152 VanDerWaalsContact CB-CD1 3.49Å; W131-I152 HydrophobicContact CD2-CD1 4.47Å; W131-I152 HydrophobicContact CG-CD1 3.62Å; A148-I152 WeakPolarHBondContact O-CG1 3.45Å; A148-I152 PolarHBondContact O-N 3.15Å; A148-I152 VanDerWaalsContact O-N 3.1Å; R149-I152 PolarHBondContact O-N 3.28Å; A150-I152 VanDerWaalsContact C-N 3.28Å; A150-I152 PolarHBondContact O-N 3.47Å; I152-S155 WeakPolarHBondContact O-CB 3.28Å; I152-S155 PolarHBondContact O-N 3.08Å; I152-F156 PolarHBondContact O-N 3.24Å
153T98.2Very high96Very high65 Ų6547 Ų4740%0.39924%0.236SC..Hα-helixtrans-62.6-44.4-177.9-64.70000112R149 A150 S155 F156 F157R149-T153 WeakPolarHBondContact O-CB 3.25Å; R149-T153 PolarHBondContact O-N 2.79Å; R149-T153 PolarHBondContact O-OG1 3.42Å; R149-T153 VanDerWaalsContact O-OG1 3.09Å; A150-T153 PolarHBondContact O-N 3.32Å; A150-T153 VanDerWaalsContact O-N 3.11Å; T153-S155 VanDerWaalsContact C-N 3.35Å; T153-F156 WeakPolarHBondContact O-CB 3.5Å; T153-F156 PolarHBondContact O-N 2.86Å; T153-F157 HydrophobicContact CG2-CD2 3.73Å; T153-F157 HydrophobicContact CG2-CE2 3.35Å; T153-F157 HydrophobicContact CG2-CZ 4.28Å; T153-F157 VanDerWaalsContact O-CD2 3.32Å; T153-F157 WeakPolarHBondContact O-CD2 3.36Å; T153-F157 PolarHBondContact O-N 3.33Å
154F98.1Very high96.5Very high61 Ų6143 Ų4327%0.26822%0.222SC..Hα-helixtrans-69.2-33.3177.1-76.8-74.9000112F36 V39 I40 A150 F156 F157 S158F36-F154 AromaticContact CD1-CD1 3.4Å; F36-F154 HydrophobicContact CD1-CD1 3.4Å; F36-F154 AromaticContact CD1-CE1 3.76Å; F36-F154 HydrophobicContact CD1-CE1 3.76Å; F36-F154 AromaticContact CE1-CD1 3.65Å; F36-F154 HydrophobicContact CE1-CD1 3.65Å; F36-F154 AromaticContact CE1-CE1 3.7Å; F36-F154 HydrophobicContact CE1-CE1 3.7Å; F36-F154 HydrophobicContact CG-CD1 4.01Å; F36-F154 HydrophobicContact CZ-CD1 4.43Å; V39-F154 HydrophobicContact CB-CD2 4.24Å; V39-F154 HydrophobicContact CB-CG 4.33Å; V39-F154 HydrophobicContact CG1-CD2 3.38Å; V39-F154 HydrophobicContact CG1-CE2 3.61Å; V39-F154 HydrophobicContact CG1-CG 3.93Å; V39-F154 HydrophobicContact CG1-CZ 4.3Å; I40-F154 HydrophobicContact CD1-CB 4.07Å; I40-F154 HydrophobicContact CG1-CB 3.68Å; A150-F154 HydrophobicContact CB-CD2 4.21Å; A150-F154 HydrophobicContact CB-CE2 4.33Å; A150-F154 WeakPolarHBondContact O-CB 3.5Å; A150-F154 WeakPolarHBondContact O-CD2 3.41Å; A150-F154 PolarHBondContact O-N 2.99Å; F154-F156 VanDerWaalsContact C-N 3.33Å; F154-F156 PolarHBondContact O-N 2.79Å; F154-F157 PolarHBondContact O-N 3.44Å; F154-S158 VanDerWaalsContact O-CB 3.27Å; F154-S158 WeakPolarHBondContact O-CB 3.31Å; F154-S158 PolarHBondContact O-N 2.88Å
155S98.3Very high97Very high0 Ų042.4 Ų42.40%022%0.216CC..Hα-helixtrans-60.5-42.5170.8-61.80000111.6A151 I152 T153 S158A151-S155 VanDerWaalsContact O-CB 3.31Å; A151-S155 WeakPolarHBondContact O-CB 3.48Å; A151-S155 PolarHBondContact O-N 3.12Å; A151-S155 PolarHBondContact O-OG 3.3Å; I152-S155 WeakPolarHBondContact O-CB 3.28Å; I152-S155 PolarHBondContact O-N 3.08Å; T153-S155 VanDerWaalsContact C-N 3.35Å; S155-S158 WeakPolarHBondContact O-CB 3.42Å; S155-S158 PolarHBondContact O-N 3.33Å
156F98.5Very high97.2Very high77 Ų7742.8 Ų42.834%0.33822%0.218SC..Hα-helixtrans-62.1-49175.1175.2-106000112.2F124 I152 T153 F154 S158 I159 F160F124-F156 HydrophobicContact CD1-CD2 4.15Å; F124-F156 HydrophobicContact CD2-CB 3.62Å; F124-F156 HydrophobicContact CD2-CD2 4.38Å; F124-F156 HydrophobicContact CD2-CG 4.44Å; F124-F156 AromaticContact CE1-CD2 3.95Å; F124-F156 HydrophobicContact CE1-CD2 3.95Å; F124-F156 HydrophobicContact CE2-CB 3.81Å; F124-F156 HydrophobicContact CE2-CD2 4.19Å; F124-F156 HydrophobicContact CE2-CG 4.29Å; F124-F156 HydrophobicContact CG-CB 4.1Å; F124-F156 HydrophobicContact CG-CD2 4.35Å; F124-F156 HydrophobicContact CZ-CB 4.44Å; F124-F156 AromaticContact CZ-CD2 3.96Å; F124-F156 HydrophobicContact CZ-CD2 3.96Å; F124-F156 HydrophobicContact CZ-CG 4.48Å; I152-F156 PolarHBondContact O-N 3.24Å; T153-F156 WeakPolarHBondContact O-CB 3.5Å; T153-F156 PolarHBondContact O-N 2.86Å; F154-F156 VanDerWaalsContact C-N 3.33Å; F154-F156 PolarHBondContact O-N 2.79Å; F156-S158 VanDerWaalsContact C-N 3.28Å; F156-S158 PolarHBondContact O-N 3.39Å; F156-I159 HydrophobicContact CD2-CD1 4.21Å; F156-I159 WeakPolarHBondContact O-CB 3.39Å; F156-I159 WeakPolarHBondContact O-CD1 3.38Å; F156-I159 WeakPolarHBondContact O-CG1 3.09Å; F156-I159 PolarHBondContact O-N 2.91Å; F156-F160 HydrophobicContact CD1-CE2 4.28Å; F156-F160 AromaticContact CE1-CE2 3.7Å; F156-F160 HydrophobicContact CE1-CE2 3.7Å; F156-F160 HydrophobicContact CE1-CZ 4.45Å; F156-F160 HydrophobicContact CE2-CE2 4.09Å; F156-F160 HydrophobicContact CE2-CZ 4.42Å; F156-F160 AromaticContact CZ-CE2 3.59Å; F156-F160 HydrophobicContact CZ-CE2 3.59Å; F156-F160 AromaticContact CZ-CZ 3.96Å; F156-F160 HydrophobicContact CZ-CZ 3.96Å
157F98.2Very high97.4Very high97 Ų9742.4 Ų42.443%0.42521%0.21SC..Hα-helixtrans-67-30.7-179.8-69.3-47.9000113.2F36 T153 F154 I159 F160 T161F36-F157 HydrophobicContact CD2-CB 4.4Å; F36-F157 HydrophobicContact CE2-CB 3.69Å; F36-F157 HydrophobicContact CZ-CB 4.06Å; T153-F157 HydrophobicContact CG2-CD2 3.73Å; T153-F157 HydrophobicContact CG2-CE2 3.35Å; T153-F157 HydrophobicContact CG2-CZ 4.28Å; T153-F157 VanDerWaalsContact O-CD2 3.32Å; T153-F157 WeakPolarHBondContact O-CD2 3.36Å; T153-F157 PolarHBondContact O-N 3.33Å; F154-F157 PolarHBondContact O-N 3.44Å; F157-I159 PolarHBondContact O-N 2.87Å; F157-F160 PolarHBondContact O-N 3.47Å; F157-F160 VanDerWaalsContact O-N 3.14Å; F157-T161 PolarHBondContact O-N 3.37Å
158S98.1Very high97.3Very high0 Ų043.9 Ų43.90%022%0.217CC..Hα-helixtrans-57.2-31.8174.4-165.70000112.4W120 F154 S155 F156 F160 T161 W162W120-S158 PolarHBondContact NE1-OG 3.35Å; W120-S158 VanDerWaalsContact NE1-OG 3.14Å; F154-S158 VanDerWaalsContact O-CB 3.27Å; F154-S158 WeakPolarHBondContact O-CB 3.31Å; F154-S158 PolarHBondContact O-N 2.88Å; S155-S158 WeakPolarHBondContact O-CB 3.42Å; S155-S158 PolarHBondContact O-N 3.33Å; F156-S158 VanDerWaalsContact C-N 3.28Å; F156-S158 PolarHBondContact O-N 3.39Å; S158-F160 VanDerWaalsContact C-N 3.3Å; S158-F160 PolarHBondContact O-N 3.45Å; S158-T161 WeakPolarHBondContact CA-OG1 3.43Å; S158-T161 PolarHBondContact O-N 3.5Å; S158-T161 PolarHBondContact O-OG1 2.95Å; S158-W162 PolarHBondContact O-N 3.32Å; S158-W162 VanDerWaalsContact OG-CD1 3.24Å; S158-W162 PolarHBondContact OG-NE1 2.92Å
159I98.4Very high97.2Very high23 Ų2343.8 Ų43.812%0.11822%0.216CC..Hα-helixtrans-55.2-49.1176.7-56.7165.8000110.3W120 F121 F124 F156 F157 T161 W162 V163W120-I159 HydrophobicContact CB-CG1 3.9Å; F121-I159 HydrophobicContact CB-CD1 4.04Å; F121-I159 HydrophobicContact CB-CG1 4.31Å; F121-I159 HydrophobicContact CD2-CD1 4.15Å; F124-I159 HydrophobicContact CB-CD1 4.37Å; F156-I159 HydrophobicContact CD2-CD1 4.21Å; F156-I159 WeakPolarHBondContact O-CB 3.39Å; F156-I159 WeakPolarHBondContact O-CD1 3.38Å; F156-I159 WeakPolarHBondContact O-CG1 3.09Å; F156-I159 PolarHBondContact O-N 2.91Å; F157-I159 PolarHBondContact O-N 2.87Å; I159-T161 PolarHBondContact O-N 3.1Å; I159-W162 PolarHBondContact O-N 2.91Å; I159-V163 HydrophobicContact CG2-CG2 4.4Å; I159-V163 WeakPolarHBondContact O-CB 3.35Å; I159-V163 VanDerWaalsContact O-CG2 3.24Å; I159-V163 WeakPolarHBondContact O-CG2 3.33Å; I159-V163 PolarHBondContact O-N 3.27Å
160F97.8Very high97Very high128 Ų12841.4 Ų41.456%0.56121%0.21SC*.Hα-helixtrans-69-35.4-176.7-61.6-75.9000112.7F156 F157 S158 G164F156-F160 HydrophobicContact CD1-CE2 4.28Å; F156-F160 AromaticContact CE1-CE2 3.7Å; F156-F160 HydrophobicContact CE1-CE2 3.7Å; F156-F160 HydrophobicContact CE1-CZ 4.45Å; F156-F160 HydrophobicContact CE2-CE2 4.09Å; F156-F160 HydrophobicContact CE2-CZ 4.42Å; F156-F160 AromaticContact CZ-CE2 3.59Å; F156-F160 HydrophobicContact CZ-CE2 3.59Å; F156-F160 AromaticContact CZ-CZ 3.96Å; F156-F160 HydrophobicContact CZ-CZ 3.96Å; F157-F160 PolarHBondContact O-N 3.47Å; F157-F160 VanDerWaalsContact O-N 3.14Å; S158-F160 VanDerWaalsContact C-N 3.3Å; S158-F160 PolarHBondContact O-N 3.45Å; F160-G164 PolarHBondContact O-N 2.92Å
161T97.3Very high96.7Very high11 Ų1144.2 Ų44.27%0.06722%0.218CC..Hα-helixtrans-68.1-44.1178.858.90000111L29 V32 S33 F36 F157 S158 I159 G164 Q165L29-T161 HydrophobicContact CD2-CG2 4.45Å; V32-T161 HydrophobicContact CB-CG2 4.44Å; V32-T161 HydrophobicContact CG1-CG2 3.76Å; S33-T161 WeakPolarHBondContact OG-CB 3.14Å; S33-T161 PolarHBondContact OG-OG1 3.21Å; F36-T161 HydrophobicContact CD2-CG2 4.1Å; F36-T161 HydrophobicContact CE2-CG2 3.6Å; F157-T161 PolarHBondContact O-N 3.37Å; S158-T161 WeakPolarHBondContact CA-OG1 3.43Å; S158-T161 PolarHBondContact O-N 3.5Å; S158-T161 PolarHBondContact O-OG1 2.95Å; I159-T161 PolarHBondContact O-N 3.1Å; T161-G164 PolarHBondContact O-N 3.46Å; T161-Q165 VanDerWaalsContact O-CG 3.32Å; T161-Q165 WeakPolarHBondContact O-CG 3.5Å; T161-Q165 PolarHBondContact O-N 3.43Å; T161-Q165 PolarHBondContact O-OE1 3.31Å
162W98Very high96.3Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-68.1-37.8176.3-74.9103.4000113.1A79 C83 F86 W116 W120 S158 I159 Q165 S166A79-W162 HydrophobicContact CB-CZ2 4.45Å; C83-W162 VanDerWaalsContact SG-CZ2 3.58Å; F86-W162 HydrophobicContact CE2-CZ3 4.38Å; W116-W162 HydrophobicContact CB-CB 4.4Å; W116-W162 HydrophobicContact CB-CD2 3.42Å; W116-W162 VanDerWaalsContact CB-CD2 3.42Å; W116-W162 HydrophobicContact CB-CE3 3.63Å; W116-W162 HydrophobicContact CB-CG 3.8Å; W116-W162 HydrophobicContact CB-CH2 4.2Å; W116-W162 HydrophobicContact CB-CZ2 4.08Å; W116-W162 HydrophobicContact CB-CZ3 4Å; W116-W162 AromaticContact CD1-CH2 3.58Å; W116-W162 AromaticContact CD1-CZ3 3.73Å; W116-W162 HydrophobicContact CD2-CZ2 4.3Å; W116-W162 HydrophobicContact CG-CD2 4.13Å; W116-W162 AromaticContact CG-CE2 3.99Å; W116-W162 HydrophobicContact CG-CE3 4.18Å; W116-W162 AromaticContact CG-CH2 3.88Å; W116-W162 HydrophobicContact CG-CH2 3.88Å; W116-W162 AromaticContact CG-CZ2 3.87Å; W116-W162 HydrophobicContact CG-CZ2 3.87Å; W116-W162 HydrophobicContact CG-CZ3 4.04Å; W120-W162 AromaticContact CD1-CD1 3.25Å; W120-W162 AromaticContact CD1-NE1 3.44Å; W120-W162 AromaticContact NE1-CD1 3.51Å; W120-W162 AromaticContact NE1-NE1 3.14Å; W120-W162 VanDerWaalsContact NE1-NE1 3.14Å; S158-W162 PolarHBondContact O-N 3.32Å; S158-W162 VanDerWaalsContact OG-CD1 3.24Å; S158-W162 PolarHBondContact OG-NE1 2.92Å; I159-W162 PolarHBondContact O-N 2.91Å; W162-Q165 PolarHBondContact O-N 3.47Å; W162-S166 PolarHBondContact O-N 3.28Å
163V98.1Very high95.8Very high71 Ų7148.5 Ų48.543%0.4323%0.234SC..Hα-helixtrans-61.7-46171.1169.20000110.6I159 Q165 S166 F167I159-V163 HydrophobicContact CG2-CG2 4.4Å; I159-V163 WeakPolarHBondContact O-CB 3.35Å; I159-V163 VanDerWaalsContact O-CG2 3.24Å; I159-V163 WeakPolarHBondContact O-CG2 3.33Å; I159-V163 PolarHBondContact O-N 3.27Å; V163-Q165 VanDerWaalsContact C-N 3.34Å; V163-Q165 PolarHBondContact O-N 2.96Å; V163-S166 PolarHBondContact O-N 3.01Å; V163-F167 WeakPolarHBondContact O-CB 3.33Å; V163-F167 PolarHBondContact O-N 2.69Å
164G97.1Very high95.4Very high20 Ų2050.9 Ų50.921%0.20624%0.239CC..Hα-helixtrans-59.4-43.5176.800000112.2F160 T161 F167 L168F160-G164 PolarHBondContact O-N 2.92Å; T161-G164 PolarHBondContact O-N 3.46Å; G164-F167 PolarHBondContact O-N 2.86Å; G164-L168 WeakPolarHBondContact O-CG 3.47Å; G164-L168 PolarHBondContact O-N 3.45Å
165Q95.8Very high94.6Very high0 Ų053.5 Ų53.50%026%0.255CS..Hα-helixtrans-61.6-47.5175-72.4174-99.600112L29 S33 T161 W162 V163 F167 L168 A169L29-Q165 HydrophobicContact CB-CG 3.62Å; L29-Q165 HydrophobicContact CD1-CG 4.22Å; S33-Q165 PolarHBondContact OG-OE1 3.34Å; T161-Q165 VanDerWaalsContact O-CG 3.32Å; T161-Q165 WeakPolarHBondContact O-CG 3.5Å; T161-Q165 PolarHBondContact O-N 3.43Å; T161-Q165 PolarHBondContact O-OE1 3.31Å; W162-Q165 PolarHBondContact O-N 3.47Å; V163-Q165 VanDerWaalsContact C-N 3.34Å; V163-Q165 PolarHBondContact O-N 2.96Å; Q165-F167 VanDerWaalsContact C-N 3.29Å; Q165-F167 PolarHBondContact O-N 3.4Å; Q165-L168 PolarHBondContact O-N 3.06Å; Q165-A169 VanDerWaalsContact O-CB 3.28Å; Q165-A169 WeakPolarHBondContact O-CB 3.45Å; Q165-A169 PolarHBondContact O-N 3.3Å
166S96.5Very high93.6Very high21 Ų2153.5 Ų53.515%0.14726%0.255CS..Hα-helixtrans-58.9-42.7177.2-173.70000111.5I110 W162 V163 A169 F170I110-S166 PolarHBondContact O-OG 3.39Å; W162-S166 PolarHBondContact O-N 3.28Å; V163-S166 PolarHBondContact O-N 3.01Å; S166-A169 PolarHBondContact O-N 3.29Å; S166-F170 WeakPolarHBondContact O-CB 3.48Å; S166-F170 PolarHBondContact O-N 3.37Å
167F96.4Very high92.5Very high119 Ų11951.3 Ų51.352%0.52225%0.251SS..Hα-helixtrans-64.3-47.8177.2178.8-102.7000112.7V163 G164 Q165 A169 F170 Q171V163-F167 WeakPolarHBondContact O-CB 3.33Å; V163-F167 PolarHBondContact O-N 2.69Å; G164-F167 PolarHBondContact O-N 2.86Å; Q165-F167 VanDerWaalsContact C-N 3.29Å; Q165-F167 PolarHBondContact O-N 3.4Å; F167-A169 VanDerWaalsContact C-N 3.34Å; F167-A169 PolarHBondContact O-N 3.25Å; F167-F170 WeakPolarHBondContact O-CB 3.45Å; F167-F170 PolarHBondContact O-N 2.83Å; F167-Q171 HydrophobicContact CD1-CG 4.44Å; F167-Q171 VanDerWaalsContact CE1-CD 3.41Å; F167-Q171 HydrophobicContact CE1-CG 4.08Å; F167-Q171 HydrophobicContact CZ-CG 4.14Å; F167-Q171 WeakPolarHBondContact O-CG 3.46Å; F167-Q171 PolarHBondContact O-N 3Å
168L93.9Very high91.2Very high39 Ų3950.9 Ų50.920%0.20425%0.253CS..Hα-helixtrans-63.4-40.1176.9-69179.3000111.7P25 Q26 L29 G164 Q165 F170 Q171 R172P25-L168 HydrophobicContact CB-CD1 4.02Å; Q26-L168 HydrophobicContact CB-CD1 4.26Å; L29-L168 HydrophobicContact CD1-CD1 3.8Å; G164-L168 WeakPolarHBondContact O-CG 3.47Å; G164-L168 PolarHBondContact O-N 3.45Å; Q165-L168 PolarHBondContact O-N 3.06Å; L168-F170 VanDerWaalsContact C-N 3.31Å; L168-F170 PolarHBondContact O-N 3.42Å; L168-Q171 PolarHBondContact O-N 3.35Å; L168-R172 WeakPolarHBondContact O-CB 3.38Å; L168-R172 PolarHBondContact O-N 3.26Å
169A92.6Very high89.6Confident0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-63.7-38.517500000111.4V106 D109 I110 Q165 S166 F167 R172 Y173V106-A169 WeakPolarHBondContact CG1-O 3.39Å; D109-A169 HydrophobicContact CB-CB 4.29Å; I110-A169 HydrophobicContact CG1-CB 3.6Å; Q165-A169 VanDerWaalsContact O-CB 3.28Å; Q165-A169 WeakPolarHBondContact O-CB 3.45Å; Q165-A169 PolarHBondContact O-N 3.3Å; S166-A169 PolarHBondContact O-N 3.29Å; F167-A169 VanDerWaalsContact C-N 3.34Å; F167-A169 PolarHBondContact O-N 3.25Å; A169-R172 PolarHBondContact O-N 2.89Å; A169-Y173 WeakPolarHBondContact O-CB 3.44Å; A169-Y173 PolarHBondContact O-N 3.21Å
170F93.4Very high87.9Confident97 Ų9753.3 Ų53.343%0.42527%0.273SS..Hα-helixtrans-66.1-40.6173.5-179.3-104.3000112.4I110 S166 F167 L168 Y173 K174I110-F170 HydrophobicContact CD1-CB 4.22Å; I110-F170 HydrophobicContact CD1-CD2 4.35Å; I110-F170 HydrophobicContact CG1-CB 4.4Å; S166-F170 WeakPolarHBondContact O-CB 3.48Å; S166-F170 PolarHBondContact O-N 3.37Å; F167-F170 WeakPolarHBondContact O-CB 3.45Å; F167-F170 PolarHBondContact O-N 2.83Å; L168-F170 VanDerWaalsContact C-N 3.31Å; L168-F170 PolarHBondContact O-N 3.42Å; F170-Y173 WeakPolarHBondContact O-CB 3.33Å; F170-Y173 PolarHBondContact O-N 2.96Å; F170-K174 HydrophobicContact CD1-CD 4.26Å; F170-K174 HydrophobicContact CE1-CD 3.57Å; F170-K174 HydrophobicContact CE1-CG 4.1Å; F170-K174 HydrophobicContact CZ-CD 3.84Å; F170-K174 HydrophobicContact CZ-CG 4.09Å; F170-K174 PolarHBondContact O-N 3.23Å
171Q91.3Very high86Confident85 Ų8551.9 Ų51.940%0.39727%0.271SS..Hα-helixtrans-61.1-44.7172.4-71.5-174.1-30.100111.4F167 L168 Y173 K174 L175F167-Q171 HydrophobicContact CD1-CG 4.44Å; F167-Q171 VanDerWaalsContact CE1-CD 3.41Å; F167-Q171 HydrophobicContact CE1-CG 4.08Å; F167-Q171 HydrophobicContact CZ-CG 4.14Å; F167-Q171 WeakPolarHBondContact O-CG 3.46Å; F167-Q171 PolarHBondContact O-N 3Å; L168-Q171 PolarHBondContact O-N 3.35Å; Q171-Y173 VanDerWaalsContact C-N 3.3Å; Q171-Y173 PolarHBondContact O-N 2.73Å; Q171-K174 PolarHBondContact O-N 2.89Å; Q171-L175 WeakPolarHBondContact O-CG 3.37Å; Q171-L175 PolarHBondContact O-N 3.29Å
172R88.3Confident84Confident43 Ų4358 Ų5816%0.16230%0.297CS..Hα-helixtrans-59.9-40174.1179.4178.9-85.5172.2-3.3111.6Y7 V106 L168 A169 G176Y7-R172 WeakPolarHBondContact O-CG 3.4Å; V106-R172 HydrophobicContact CG2-CG 4.37Å; L168-R172 WeakPolarHBondContact O-CB 3.38Å; L168-R172 PolarHBondContact O-N 3.26Å; A169-R172 PolarHBondContact O-N 2.89Å; R172-G176 PolarHBondContact O-N 3.47Å
173Y88.9Confident81.9Confident62 Ų6259.3 Ų59.324%0.24331%0.306CS..Hα-helixtrans-60.5-48.5174.9177.2-101000111.9Y7 K103 V106 I110 A169 F170 Q171 G176 A177Y7-Y173 HydrophobicContact CE1-CD2 4.14Å; K103-Y173 HydrophobicContact CG-CE2 4.11Å; V106-Y173 HydrophobicContact CG1-CD2 4.29Å; V106-Y173 HydrophobicContact CG1-CG 4.48Å; I110-Y173 HydrophobicContact CD1-CG 4.28Å; A169-Y173 WeakPolarHBondContact O-CB 3.44Å; A169-Y173 PolarHBondContact O-N 3.21Å; F170-Y173 WeakPolarHBondContact O-CB 3.33Å; F170-Y173 PolarHBondContact O-N 2.96Å; Q171-Y173 VanDerWaalsContact C-N 3.3Å; Q171-Y173 PolarHBondContact O-N 2.73Å; Y173-G176 PolarHBondContact O-N 3.15Å; Y173-A177 VanDerWaalsContact O-CB 3.25Å; Y173-A177 WeakPolarHBondContact O-CB 3.3Å; Y173-A177 PolarHBondContact O-N 3.25Å
174K87.8Confident79.7Confident115 Ų11563.7 Ų63.750%0.532%0.322SS..Hα-helixtrans-60.2-51.6178.4-72-169.667177.90111.6F170 Q171 G176 A177 D178F170-K174 HydrophobicContact CD1-CD 4.26Å; F170-K174 HydrophobicContact CE1-CD 3.57Å; F170-K174 HydrophobicContact CE1-CG 4.1Å; F170-K174 HydrophobicContact CZ-CD 3.84Å; F170-K174 HydrophobicContact CZ-CG 4.09Å; F170-K174 PolarHBondContact O-N 3.23Å; Q171-K174 PolarHBondContact O-N 2.89Å; K174-G176 VanDerWaalsContact C-N 3.29Å; K174-G176 PolarHBondContact O-N 3Å; K174-A177 PolarHBondContact O-N 2.7Å; K174-A177 VanDerWaalsContact O-N 3.16Å; K174-D178 VanDerWaalsContact O-CG 3.23Å; K174-D178 PolarHBondContact O-N 3.38Å
175L82.8Confident77.5Confident116 Ų11669.6 Ų69.661%0.60734%0.344SS*.Hα-helixtrans-57.1-42.2178.9-70.3167.7000112.2Q171 S179Q171-L175 WeakPolarHBondContact O-CG 3.37Å; Q171-L175 PolarHBondContact O-N 3.29Å; L175-S179 PolarHBondContact O-N 3.39Å; L175-S179 VanDerWaalsContact O-N 3.15Å; L175-S179 PolarHBondContact O-OG 2.99Å
176G77.6Confident75.2Confident0 Ų078.1 Ų78.10%038%0.377CS..Hα-helixtrans-76.8-29.4178.600000114.5Y7 R172 Y173 K174 A180Y7-G176 VanDerWaalsContact CD1-CA 3.5Å; R172-G176 PolarHBondContact O-N 3.47Å; Y173-G176 PolarHBondContact O-N 3.15Å; K174-G176 VanDerWaalsContact C-N 3.29Å; K174-G176 PolarHBondContact O-N 3Å; G176-A180 VanDerWaalsContact O-CB 3.29Å; G176-A180 WeakPolarHBondContact O-CB 3.29Å; G176-A180 PolarHBondContact O-N 2.95Å
177A74.5Confident73.1Confident31 Ų3181.2 Ų81.226%0.25640%0.396SS..Hα-helixtrans-67.3-42.6172.700000111.2Y173 K174 A180 L181Y173-A177 VanDerWaalsContact O-CB 3.25Å; Y173-A177 WeakPolarHBondContact O-CB 3.3Å; Y173-A177 PolarHBondContact O-N 3.25Å; K174-A177 PolarHBondContact O-N 2.7Å; K174-A177 VanDerWaalsContact O-N 3.16Å; A177-A180 PolarHBondContact O-N 3.08Å; A177-L181 PolarHBondContact O-N 3.35Å; A177-L181 VanDerWaalsContact O-N 3.08Å
178D70.4Confident70.8Confident87 Ų8778.6 Ų78.647%0.46539%0.387SS..Hα-helixtrans-62-47.1175.7-62.6-20.7000110K174 A180 L181 F182K174-D178 VanDerWaalsContact O-CG 3.23Å; K174-D178 PolarHBondContact O-N 3.38Å; D178-A180 VanDerWaalsContact C-N 3.35Å; D178-A180 PolarHBondContact O-N 3.16Å; D178-L181 PolarHBondContact O-N 2.89Å; D178-F182 WeakPolarHBondContact O-CD2 2.98Å; D178-F182 PolarHBondContact O-N 3.29Å
179S66.1Low69Low58 Ų5881.4 Ų81.441%0.40641%0.408SS..Hα-helixtrans-61.2-39.4177.8-51.80000113.3L175 S183L175-S179 PolarHBondContact O-N 3.39Å; L175-S179 VanDerWaalsContact O-N 3.15Å; L175-S179 PolarHBondContact O-OG 2.99Å; S179-S183 PolarHBondContact O-N 3.36Å
180A61.4Low67.3Low17 Ų1785 Ų8514%0.1443%0.432CS..Hα-helixtrans-72.6-27.6-179.900000112.9V99 G176 A177 D178 S183 H184V99-A180 HydrophobicContact CG1-CB 4.32Å; G176-A180 VanDerWaalsContact O-CB 3.29Å; G176-A180 WeakPolarHBondContact O-CB 3.29Å; G176-A180 PolarHBondContact O-N 2.95Å; A177-A180 PolarHBondContact O-N 3.08Å; D178-A180 VanDerWaalsContact C-N 3.35Å; D178-A180 PolarHBondContact O-N 3.16Å; A180-S183 VanDerWaalsContact C-OG 3.26Å; A180-S183 VanDerWaalsContact CA-OG 3.3Å; A180-S183 WeakPolarHBondContact CA-OG 3.48Å; A180-S183 PolarHBondContact O-OG 3.33Å; A180-H184 PolarHBondContact O-N 2.83Å
181L58.8Low65.5Low98 Ų9887.1 Ų87.151%0.51344%0.444SS..Hα-helixtrans-66.7-51.8175.5-159.5175.9000110.1A177 D178 S183 H184 E185A177-L181 PolarHBondContact O-N 3.35Å; A177-L181 VanDerWaalsContact O-N 3.08Å; D178-L181 PolarHBondContact O-N 2.89Å; L181-S183 PolarHBondContact O-N 3.41Å; L181-H184 WeakPolarHBondContact O-CB 3.25Å; L181-H184 PolarHBondContact O-N 2.99Å; L181-E185 PolarHBondContact O-N 3.22Å
182F54.8Low63.5Low138 Ų13888.8 Ų88.861%0.60546%0.455SS*.Hα-helixtrans-62.9-29.6179.5-64.4-65.2000113.1D178 H184 E185 Y186D178-F182 WeakPolarHBondContact O-CD2 2.98Å; D178-F182 PolarHBondContact O-N 3.29Å; F182-H184 VanDerWaalsContact C-N 3.32Å; F182-E185 PolarHBondContact O-N 3.24Å; F182-Y186 PolarHBondContact O-N 3Å
183S54.4Low61.7Low29 Ų2990.7 Ų90.720%0.20348%0.48CS..Hα-helixtrans-70.3-26.2173.862.80000115M4 S179 A180 L181M4-S183 WeakPolarHBondContact SD-CB 3.49Å; S179-S183 PolarHBondContact O-N 3.36Å; A180-S183 VanDerWaalsContact C-OG 3.26Å; A180-S183 VanDerWaalsContact CA-OG 3.3Å; A180-S183 WeakPolarHBondContact CA-OG 3.48Å; A180-S183 PolarHBondContact O-OG 3.33Å; L181-S183 PolarHBondContact O-N 3.41Å
184H51.2Low59.7Low163 Ų16392.2 Ų92.276%0.75551%0.506SS*.Hα-helixtrans-79.7-24.2175.9-103.2-74.2000112.2A180 L181 F182A180-H184 PolarHBondContact O-N 2.83Å; L181-H184 WeakPolarHBondContact O-CB 3.25Å; L181-H184 PolarHBondContact O-N 2.99Å; F182-H184 VanDerWaalsContact C-N 3.32Å
185E51.7Low57.7Low144 Ų14489.5 Ų89.567%0.67351%0.511SS*.Hα-helixtrans-82.1-25174.6-86175.3146.600113.1L181 F182 T187L181-E185 PolarHBondContact O-N 3.22Å; F182-E185 PolarHBondContact O-N 3.24Å; E185-T187 VanDerWaalsContact C-N 3.33Å; E185-T187 PolarHBondContact O-N 3.37Å; E185-T187 VanDerWaalsContact O-N 3.1Å
186Y46.5Very low55.6Low179 Ų17987.3 Ų87.370%0.70251%0.509SS*.  trans-83.577.6171.3-168.7-96.3000110.5F182F182-Y186 PolarHBondContact O-N 3Å
187T51.8Low53.8Low86 Ų8692.6 Ų92.653%0.52854%0.543SS..  trans-80.3121.3159.5-56.50000107.5E185 P189E185-T187 VanDerWaalsContact C-N 3.33Å; E185-T187 PolarHBondContact O-N 3.37Å; E185-T187 VanDerWaalsContact O-N 3.1Å; T187-P189 VanDerWaalsContact O-CD 3.28Å; T187-P189 WeakPolarHBondContact O-CD 3.27Å
188D48.8Very low52Low64 Ų64102.3 Ų102.334%0.34258%0.575SS.*  trans-58.6116.3176.1-179.3-9.7000110S190 Q191D188-S190 PolarHBondContact O-N 2.82Å; D188-S190 VanDerWaalsContact OD1-CB 3.27Å; D188-S190 WeakPolarHBondContact OD1-CB 3.28Å; D188-S190 PolarHBondContact OD1-N 3.25Å; D188-S190 PolarHBondContact OD1-OG 2.82Å; D188-S190 PolarHBondContact OD2-OG 3.34Å; D188-Q191 PolarHBondContact O-N 2.76Å
189P55.3Low50.3Low98 Ų98103.6 Ų103.664%0.63659%0.586SS**Hα-helixtrans-59-17.2-180-21.431.9000113.7T187 Q191T187-P189 VanDerWaalsContact O-CD 3.28Å; T187-P189 WeakPolarHBondContact O-CD 3.27Å; P189-Q191 VanDerWaalsContact C-N 3.32Å
190S58.6Low48.8Very low74 Ų74106.2 Ų106.252%0.51760%0.604SS.*Hα-helixtrans-74.9-18.3176.875.60000113.7D188D188-S190 PolarHBondContact O-N 2.82Å; D188-S190 VanDerWaalsContact OD1-CB 3.27Å; D188-S190 WeakPolarHBondContact OD1-CB 3.28Å; D188-S190 PolarHBondContact OD1-N 3.25Å; D188-S190 PolarHBondContact OD1-OG 2.82Å; D188-S190 PolarHBondContact OD2-OG 3.34Å
191Q54.2Low47.5Very low143 Ų143114.6 Ų114.667%0.66864%0.638SS**Hα-helixtrans-82.6-25.2175.3-70.2-167.3-1.300113.3D188 P189 A193D188-Q191 PolarHBondContact O-N 2.76Å; P189-Q191 VanDerWaalsContact C-N 3.32Å; Q191-A193 VanDerWaalsContact C-N 3.32Å
192D50.1Low46.2Very low119 Ų119113.2 Ų113.264%0.63665%0.648SS**Hα-helixtrans-75.3-21.6171.9-80.2-27.5000112.5A194 G195D192-A194 VanDerWaalsContact C-N 3.27Å; D192-A194 PolarHBondContact O-N 2.9Å; D192-G195 PolarHBondContact O-N 3.38Å
193A50.4Low45.1Very low83 Ų83110.2 Ų110.269%0.68666%0.655SS**THydrogen-bonded Turntrans-72.2-17.8177.100000113.8Q191Q191-A193 VanDerWaalsContact C-N 3.32Å
194A47Very low44Very low95 Ų95115.9 Ų115.979%0.78568%0.683SS**THydrogen-bonded Turntrans-91.6-3.1176.800000113.5D192D192-A194 VanDerWaalsContact C-N 3.27Å; D192-A194 PolarHBondContact O-N 2.9Å
195G45.4Very low43.1Very low58 Ų58114.9 Ų114.960%0.59868%0.683SS**  trans-117.38.2-174.400000115.2D192 P197D192-G195 PolarHBondContact O-N 3.38Å; G195-P197 WeakPolarHBondContact O-CD 3.21Å
196A39.7Very low42.2Very low70 Ų70115.3 Ų115.358%0.57969%0.69SS**  trans-71.6113.3176.600000110.1Y198A196-Y198 PolarHBondContact O-N 3.1Å
197P39.3Very low41.5Very low110 Ų110115.3 Ų115.371%0.71470%0.696SS**  trans-69.9121.8166.817.7-7.2000107.1G195 T199G195-P197 WeakPolarHBondContact O-CD 3.21Å; P197-T199 PolarHBondContact O-N 3Å
198Y35.4Very low40.5Very low235 Ų235116.3 Ų116.392%0.92271%0.706SS**  trans-55.5100.5167.9-68.8-87.9000108.5A196 S200A196-Y198 PolarHBondContact O-N 3.1Å; Y198-S200 VanDerWaalsContact C-N 3.29Å; Y198-S200 PolarHBondContact O-N 3.29Å
199T35.7Very low40.1Very low115 Ų115119.3 Ų119.371%0.70673%0.729SS**  trans-73.490.5166.239.70000107.4P197 F201P197-T199 PolarHBondContact O-N 3Å; T199-F201 PolarHBondContact O-N 3Å
200S34.6Very low38.9Very low112 Ų112118.3 Ų118.378%0.78374%0.737SS**  trans-60.7104.3160.5174.50000107.1Y198 G202Y198-S200 VanDerWaalsContact C-N 3.29Å; Y198-S200 PolarHBondContact O-N 3.29Å; S200-G202 PolarHBondContact O-N 2.84Å
201F33.4Very low37.5Very low194 Ų194118.7 Ų118.785%0.85175%0.753SS**  trans-65.3102.4161.8-86.2-89.1000106.9T199 G203T199-F201 PolarHBondContact O-N 3Å; F201-G203 PolarHBondContact O-N 3.04Å
202G31.5Very low36.3Very low69 Ų69116 Ų11671%0.71176%0.763SS**  trans-64.3107.716200000108.2S200S200-G202 PolarHBondContact O-N 2.84Å
203G31.8Very low35.4Very low74 Ų74114.6 Ų114.676%0.76378%0.777SS**  trans-97.2107.8165.600000108F201F201-G203 PolarHBondContact O-N 3.04Å
204D32.6Very low34.5Very low148 Ų148114.5 Ų114.579%0.79178%0.784SS**  trans-91.2129.1166.4-72.8-31.6000109.4
205D31.9Very low33.7Very low142 Ų142118.9 Ų118.976%0.75979%0.788SS**  trans71.3102153-50.9-34.8000120.3
206L33.1Very low33.1Very low154 Ų154122.9 Ų122.981%0.80680%0.801SS**  -170.8125.8105.3-120.279.9000112.8
207E31.1Very low32.9Very low179 Ų179127 Ų12784%0.83681%0.814SS**  trans78.1104.4145.4-129.5153.9115.500121.6
208S30.8Very low32.5Very low106 Ų106127.8 Ų127.874%0.74182%0.822SS**  trans-77.8165.3153.3-139.80000109.4
209P41.2Very low32.4Very low127 Ų127124.8 Ų124.883%0.82582%0.822SS**  cis-147.6156.833.537.1-14.4000118.5
210G29.7Very low32.3Very low78 Ų78122.9 Ų122.980%0.80482%0.824SS**  trans168.299.8158.700000116.5
211G29.6Very low32.6Very low82 Ų82123.8 Ų123.885%0.84583%0.828SS**  trans96.791.1138.300000119.8
212G28.3Very low33Very low85 Ų85124.6 Ų124.688%0.87683%0.831SS**  75.9116115.300000121.9
213G30.7Very low33.1Very low91 Ų91129 Ų12994%0.93884%0.838SS**  trans85.2137151.100000114.7
214G31Very low33.1Very low80 Ų80127.9 Ų127.983%0.82583%0.827SS**  cis166144.311.500000106.1
215Q32Very low33.1Very low188 Ų188126.9 Ų126.988%0.87983%0.831SS**  trans-50.1153178.6-76160-48.600114.1
216T31.6Very low33.1Very low142 Ų142124.1 Ų124.187%0.87184%0.837SS**  -176.2135.8107.532.80000113.3
217N34.9Very low33Very low157 Ų157120.5 Ų120.584%0.8484%0.837SS**  trans-61.4154.3164.3-72.6-24.5000112.5
218S32Very low33.3Very low126 Ų126123.6 Ų123.688%0.88184%0.842SS**  trans-168.5130.2134.127.30000112.3
219D33.2Very low33.7Very low172 Ų172127.1 Ų127.192%0.9285%0.847SS**  trans-75.4142.2175.1-81-57.5000113.5
220G32.7Very low33.4Very low74 Ų74130.9 Ų130.976%0.76385%0.845SS**  trans90.9165.8144.500000118.8
221P40.8Very low33.9Very low132 Ų132135.7 Ų135.786%0.85785%0.846SS**  cis-130.4172-21.335.9-17.2000113.9
222F42.5Very low34.2Very low211 Ų211136.5 Ų136.593%0.92583%0.831SS**  trans-73.2133175.2-147.6-93.1000111.8
223D33.3Very low34.8Very low161 Ų161147.1 Ų147.186%0.86185%0.847SS**  trans-164.2146.2149.7-161.29.9000112.7
224G32.8Very low35Very low50 Ų50149.9 Ų149.952%0.51584%0.843SS.*  trans104.779.8141.300000120.7
225S32.1Very low35.2Very low127 Ų127153.6 Ų153.689%0.88884%0.843SS**  45.8128.6127.562.20000122.7
226G31.5Very low35.4Very low85 Ų85151.7 Ų151.788%0.87684%0.841SS**  trans125119.213400000117.3
227G31.1Very low35.6Very low78 Ų78152.2 Ų152.280%0.80484%0.84SS**  trans162.378162.300000115.6
228Y38.3Very low35.7Very low244 Ų244151.9 Ų151.996%0.95784%0.84SS**  trans-67.5126.6159.6-87-99.1000109.1
229Q38.9Very low35.9Very low179 Ų179153.7 Ų153.784%0.83684%0.837SS**  trans-109.9110167.7-131.2175-50.800110.4
230R34Very low36.1Very low207 Ų207152.4 Ų152.478%0.78183%0.831SS**  trans-87.7136.5166.6-178.3-174.3175.91790.4107.3D232R230-D232 IonicContact CZ-OD2 3.14Å; R230-D232 IonicContact NE-OD2 2.82Å; R230-D232 PolarHBondContact NE-OD2 3.05Å; R230-D232 IonicContact NH2-OD2 2.82Å; R230-D232 PolarHBondContact NH2-OD2 3.2Å
231Q40.8Very low36.4Very low178 Ų178158.4 Ų158.483%0.83284%0.836SS**  trans-136.1103.8168-138.1163.26.600109.4
232D36.5Very low36Very low100 Ų100160.6 Ų160.654%0.53584%0.835SS.*  trans-87.4129.6165.5-74-52.2000108.2R230R230-D232 IonicContact CZ-OD2 3.14Å; R230-D232 IonicContact NE-OD2 2.82Å; R230-D232 PolarHBondContact NE-OD2 3.05Å; R230-D232 IonicContact NH2-OD2 2.82Å; R230-D232 PolarHBondContact NH2-OD2 3.2Å
233Y40.5Very low35.4Very low307 Ų307156 Ų156100%1.20483%0.826SS**  167.10119.1-99.8-78.4000110.3

Retrieved 233 of 233 residues in 621.7 ms (Link to these results)

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