A0A077ZKB1_TRITR Loading...

Retrovirus-related Pol polyprotein from transposo n TNT 1-94

AlphaFold DB , UniProt , Accession A0A077ZKB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M41.3Very low61.4Low127 Ų12799.5 Ų99.563%0.62653%0.532SS*.  0149.40-60.3-158.4-15800108.6G3 K30 E31M1-G3 PolarHBondContact O-N 3.2Å; M1-K30 HydrophobicContact CE-CD 3.66Å; M1-K30 HydrophobicContact CE-CG 3.72Å; M1-K30 HydrophobicContact SD-CD 3.99Å; M1-K30 WeakPolarHBondContact SD-CE 3.2Å; M1-K30 PolarHBondContact SD-NZ 3.06Å; M1-K30 VanDerWaalsContact SD-NZ 3.35Å; M1-E31 HydrophobicContact CE-CG 4.33Å; M1-E31 WeakPolarHBondContact CE-OE1 3.17Å; M1-E31 VanDerWaalsContact CG-OE1 3.26Å; M1-E31 WeakPolarHBondContact CG-OE1 3.38Å
2S43.2Very low62.2Low83 Ų8393.5 Ų93.558%0.5850%0.5SS*.  trans-60.3128.9175.7136.40000108.4K4 E5S2-K4 PolarHBondContact O-N 2.82Å; S2-E5 PolarHBondContact O-N 2.77Å
3G49.4Very low62.6Low53 Ų5390.7 Ų90.755%0.54649%0.485SS..G310 helixtrans-50.1-19.9-175.800000115.2M1 E5 V6M1-G3 PolarHBondContact O-N 3.2Å; G3-E5 VanDerWaalsContact C-N 3.28Å; G3-E5 PolarHBondContact O-N 2.84Å; G3-V6 PolarHBondContact O-N 3.5Å
4K53.9Low62.4Low161 Ų16188.1 Ų88.170%0.749%0.49SS*.G310 helixtrans-60.2-24179.3-61.3-175.1177.4-178.70115.9S2S2-K4 PolarHBondContact O-N 2.82Å
5E57.1Low63Low102 Ų10289.4 Ų89.448%0.47751%0.508SS..G310 helixtrans-81.3-27.9-176.3-152.9179.4167.100112.6S2 G3 D7 K30S2-E5 PolarHBondContact O-N 2.77Å; G3-E5 VanDerWaalsContact C-N 3.28Å; G3-E5 PolarHBondContact O-N 2.84Å; E5-D7 VanDerWaalsContact C-N 3.33Å; E5-K30 IonicContact OE1-NZ 2.68Å; E5-K30 PolarHBondContact OE1-NZ 3.36Å; E5-K30 IonicContact OE2-NZ 3.71Å; E5-K30 PolarHBondContact OE2-NZ 3.09Å
6V56.7Low63.9Low63 Ų6384.2 Ų84.238%0.38248%0.478SS..THydrogen-bonded Turntrans-73-30.7176.7-176.20000111.1G3 N8 L9G3-V6 PolarHBondContact O-N 3.5Å; V6-N8 VanDerWaalsContact C-N 3.28Å; V6-N8 PolarHBondContact O-N 3.19Å; V6-L9 PolarHBondContact O-N 3.49Å
7D60.1Low64.2Low131 Ų13181.1 Ų81.170%0.70146%0.457SS*.THydrogen-bonded Turntrans-70-21.7-178.7-67.2-28000113.7E5E5-D7 VanDerWaalsContact C-N 3.33Å
8N71.8Confident64.6Low140 Ų14083.1 Ų83.175%0.74946%0.462SS*.THydrogen-bonded Turntrans-85.1-7.5-178.5-72.5-21.1000113.9V6 Q10V6-N8 VanDerWaalsContact C-N 3.28Å; V6-N8 PolarHBondContact O-N 3.19Å; N8-Q10 PolarHBondContact O-N 2.99Å
9L77.5Confident65.3Low41 Ų4184.3 Ų84.322%0.21547%0.467CS..SBendtrans-81.8118.5177-67.3180000109.6V6 K11 N23 L27V6-L9 PolarHBondContact O-N 3.49Å; L9-K11 PolarHBondContact O-N 2.94Å; L9-N23 HydrophobicContact CD2-CB 3.82Å; L9-L27 HydrophobicContact CD1-CB 4.33Å; L9-L27 HydrophobicContact CD1-CD2 3.82Å; L9-L27 HydrophobicContact CD1-CG 4.49Å
10Q81.9Confident66.2Low112 Ų11280.4 Ų80.452%0.52345%0.445SS..PPolyproline II helixtrans-51.9126.1174.4-169.3-178.3-29.800109.3N8 N13 N16 W20N8-Q10 PolarHBondContact O-N 2.99Å; Q10-N13 PolarHBondContact NE2-ND2 2.96Å; Q10-N16 VanDerWaalsContact CD-ND2 3.28Å; Q10-N16 WeakPolarHBondContact CG-ND2 3.46Å; Q10-N16 PolarHBondContact NE2-ND2 3.1Å; Q10-W20 VanDerWaalsContact O-CD1 3.27Å
11K82.3Confident66.7Low82 Ų8279.7 Ų79.736%0.35744%0.437SS..PPolyproline II helixtrans-64.2152.8177.6-69.6-176.5-177.8173.50110.8L9 N13 N16 A71 E73L9-K11 PolarHBondContact O-N 2.94Å; K11-N13 PolarHBondContact O-N 3.4Å; K11-N16 PolarHBondContact O-ND2 3.37Å; K11-A71 CarbonylContact C-O 3.58Å; K11-A71 VanDerWaalsContact CA-O 3.23Å; K11-A71 WeakPolarHBondContact CA-O 3.35Å; K11-E73 HydrophobicContact CB-CB 4.43Å; K11-E73 WeakPolarHBondContact CB-OE2 3.41Å; K11-E73 WeakPolarHBondContact CD-OE2 3.5Å
12L70.4Confident68.5Low27 Ų2777.9 Ų77.914%0.14143%0.43CS..BIsolated β-bridgetrans-60.2126.2178.7-178.260.9000109.7Y17 W20 A71 I72L12-Y17 HydrophobicContact CD1-CD2 3.95Å; L12-W20 HydrophobicContact CB-CD2 3.84Å; L12-W20 HydrophobicContact CB-CG 3.92Å; L12-W20 HydrophobicContact CB-CZ2 4.08Å; L12-W20 HydrophobicContact CD1-CB 4.04Å; L12-W20 HydrophobicContact CD1-CD2 3.86Å; L12-W20 HydrophobicContact CD1-CE3 3.95Å; L12-W20 HydrophobicContact CD1-CG 3.9Å; L12-W20 HydrophobicContact CD2-CD2 4.44Å; L12-W20 HydrophobicContact CD2-CE3 4.33Å; L12-W20 HydrophobicContact CD2-CH2 4.26Å; L12-W20 HydrophobicContact CD2-CZ2 4.36Å; L12-W20 HydrophobicContact CD2-CZ3 4.26Å; L12-W20 HydrophobicContact CG-CD2 4.25Å; L12-W20 HydrophobicContact CG-CE3 4.5Å; L12-W20 HydrophobicContact CG-CG 4.48Å; L12-W20 VanDerWaalsContact N-CD1 3.26Å; L12-A71 PolarHBondContact N-O 2.84Å; L12-I72 HydrophobicContact CB-CG1 4.34Å; L12-I72 HydrophobicContact CD2-CG1 4.33Å
13N68.1Low70.4Confident57 Ų5777.2 Ų77.231%0.30542%0.42SS..  trans-136.8177172.870.936.7000110.1Q10 K11 S15 N16Q10-N13 PolarHBondContact NE2-ND2 2.96Å; K11-N13 PolarHBondContact O-N 3.4Å; N13-S15 PolarHBondContact O-N 2.91Å; N13-S15 VanDerWaalsContact O-N 3.1Å; N13-S15 PolarHBondContact OD1-N 3.2Å; N13-S15 PolarHBondContact OD1-OG 3.16Å; N13-N16 PolarHBondContact N-OD1 3.07Å; N13-N16 PolarHBondContact O-OD1 3.4Å; N13-N16 VanDerWaalsContact O-OD1 3.09Å; N13-N16 VanDerWaalsContact OD1-CG 3.28Å; N13-N16 PolarHBondContact OD1-N 2.94Å; N13-N16 VanDerWaalsContact OD1-N 3.14Å; N13-N16 PolarHBondContact OD1-OD1 3.02Å
14G59.1Low71.8Confident54 Ų5475 Ų7556%0.55740%0.395SS*.THydrogen-bonded Turntrans-64.8-13.4-174.400000115.8
15S71.4Confident73.1Confident108 Ų10869.5 Ų69.576%0.75537%0.372SS*.THydrogen-bonded Turntrans-117.1-2.2-173.762.70000114.5N13N13-S15 PolarHBondContact O-N 2.91Å; N13-S15 VanDerWaalsContact O-N 3.1Å; N13-S15 PolarHBondContact OD1-N 3.2Å; N13-S15 PolarHBondContact OD1-OG 3.16Å
16N78Confident74.4Confident6 Ų673 Ų733%0.03238%0.381CS..  trans-124.217.9-172.577.5-15.3000114.6Q10 K11 N13 H18 D19 W20Q10-N16 VanDerWaalsContact CD-ND2 3.28Å; Q10-N16 WeakPolarHBondContact CG-ND2 3.46Å; Q10-N16 PolarHBondContact NE2-ND2 3.1Å; K11-N16 PolarHBondContact O-ND2 3.37Å; N13-N16 PolarHBondContact N-OD1 3.07Å; N13-N16 PolarHBondContact O-OD1 3.4Å; N13-N16 VanDerWaalsContact O-OD1 3.09Å; N13-N16 VanDerWaalsContact OD1-CG 3.28Å; N13-N16 PolarHBondContact OD1-N 2.94Å; N13-N16 VanDerWaalsContact OD1-N 3.14Å; N13-N16 PolarHBondContact OD1-OD1 3.02Å; N16-H18 VanDerWaalsContact C-N 3.35Å; N16-H18 PolarHBondContact O-N 3.42Å; N16-D19 PolarHBondContact O-N 2.88Å; N16-W20 WeakPolarHBondContact O-CB 3.4Å; N16-W20 PolarHBondContact O-N 3.26Å
17Y68.1Low75.7Confident32 Ų3270.7 Ų70.713%0.12537%0.366CS..Hα-helixtrans-54.2-45.8-172.1175.4-109.3000113.6L12 K21 L105L12-Y17 HydrophobicContact CD1-CD2 3.95Å; Y17-K21 HydrophobicContact CE1-CD 4.36Å; Y17-K21 WeakPolarHBondContact O-CB 3.29Å; Y17-K21 PolarHBondContact O-N 2.99Å; Y17-L105 HydrophobicContact CD1-CD2 3.78Å; Y17-L105 HydrophobicContact CD2-CD2 3.59Å; Y17-L105 HydrophobicContact CE1-CD2 3.67Å; Y17-L105 HydrophobicContact CE2-CD2 3.5Å; Y17-L105 HydrophobicContact CG-CD2 3.73Å; Y17-L105 PolarHBondContact OH-O 3.28Å
18H71.9Confident76.7Confident116 Ų11664.5 Ų64.554%0.53733%0.333SS..Hα-helixtrans-65.3-47.5-178.5-65.1-68.7000112.4N16 K21 L22 E104N16-H18 VanDerWaalsContact C-N 3.35Å; N16-H18 PolarHBondContact O-N 3.42Å; H18-K21 PolarHBondContact O-N 3.05Å; H18-L22 WeakPolarHBondContact O-CB 3.47Å; H18-L22 PolarHBondContact O-N 3.24Å; H18-E104 IonicContact NE2-OE2 3.82Å
19D78.5Confident77.3Confident106 Ų10664.6 Ų64.657%0.56732%0.323SS*.Hα-helixtrans-65.7-42.9178.6-62.6-34.8000111.2N16 L22 N23N16-D19 PolarHBondContact O-N 2.88Å; D19-L22 PolarHBondContact O-N 3.44Å; D19-N23 VanDerWaalsContact O-CB 3.27Å; D19-N23 WeakPolarHBondContact O-CB 3.38Å; D19-N23 PolarHBondContact O-N 3.15Å; D19-N23 PolarHBondContact O-ND2 3.14Å; D19-N23 VanDerWaalsContact O-ND2 3.1Å
20W82.9Confident77.8Confident6 Ų667.4 Ų67.42%0.02333%0.334CS..Hα-helixtrans-60.1-47.1175179.191.6000111.2Q10 L12 N16 L22 N23 K24 T68 A71 I72 W146Q10-W20 VanDerWaalsContact O-CD1 3.27Å; L12-W20 HydrophobicContact CB-CD2 3.84Å; L12-W20 HydrophobicContact CB-CG 3.92Å; L12-W20 HydrophobicContact CB-CZ2 4.08Å; L12-W20 HydrophobicContact CD1-CB 4.04Å; L12-W20 HydrophobicContact CD1-CD2 3.86Å; L12-W20 HydrophobicContact CD1-CE3 3.95Å; L12-W20 HydrophobicContact CD1-CG 3.9Å; L12-W20 HydrophobicContact CD2-CD2 4.44Å; L12-W20 HydrophobicContact CD2-CE3 4.33Å; L12-W20 HydrophobicContact CD2-CH2 4.26Å; L12-W20 HydrophobicContact CD2-CZ2 4.36Å; L12-W20 HydrophobicContact CD2-CZ3 4.26Å; L12-W20 HydrophobicContact CG-CD2 4.25Å; L12-W20 HydrophobicContact CG-CE3 4.5Å; L12-W20 HydrophobicContact CG-CG 4.48Å; L12-W20 VanDerWaalsContact N-CD1 3.26Å; N16-W20 WeakPolarHBondContact O-CB 3.4Å; N16-W20 PolarHBondContact O-N 3.26Å; W20-L22 PolarHBondContact O-N 3.03Å; W20-N23 PolarHBondContact O-N 3.09Å; W20-K24 HydrophobicContact CD2-CG 3.78Å; W20-K24 VanDerWaalsContact CE2-CG 3.49Å; W20-K24 HydrophobicContact CE3-CG 4.19Å; W20-K24 HydrophobicContact CG-CG 4.34Å; W20-K24 HydrophobicContact CH2-CG 4.15Å; W20-K24 HydrophobicContact CZ2-CD 4.25Å; W20-K24 HydrophobicContact CZ2-CG 3.74Å; W20-K24 HydrophobicContact CZ3-CG 4.35Å; W20-K24 WeakPolarHBondContact O-CB 3.45Å; W20-K24 VanDerWaalsContact O-CG 3.29Å; W20-K24 WeakPolarHBondContact O-CG 3.38Å; W20-K24 PolarHBondContact O-N 2.83Å; W20-T68 HydrophobicContact CH2-CG2 3.34Å; W20-T68 HydrophobicContact CZ2-CG2 3.51Å; W20-A71 HydrophobicContact CZ2-CB 3.92Å; W20-A71 PolarHBondContact NE1-O 3.41Å; W20-I72 HydrophobicContact CZ2-CG1 4.13Å; W20-W146 HydrophobicContact CH2-CD2 4.49Å
21K77.3Confident77.9Confident66 Ų6665.8 Ų65.829%0.28733%0.326SS..Hα-helixtrans-59.7-48.8179.8178.5-176.7176.8-175.50110.6Y17 H18 K24 E25Y17-K21 HydrophobicContact CE1-CD 4.36Å; Y17-K21 WeakPolarHBondContact O-CB 3.29Å; Y17-K21 PolarHBondContact O-N 2.99Å; H18-K21 PolarHBondContact O-N 3.05Å; K21-K24 PolarHBondContact O-N 3.3Å; K21-E25 WeakPolarHBondContact O-CB 3.37Å; K21-E25 PolarHBondContact O-N 3.3Å
22L79.7Confident78Confident90 Ų9069.7 Ų69.747%0.47134%0.343SS..Hα-helixtrans-59.2-54.7177.1-170.268000109.7H18 D19 W20 K24 E25 W26H18-L22 WeakPolarHBondContact O-CB 3.47Å; H18-L22 PolarHBondContact O-N 3.24Å; D19-L22 PolarHBondContact O-N 3.44Å; W20-L22 PolarHBondContact O-N 3.03Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 3.26Å; L22-E25 WeakPolarHBondContact O-CB 3.48Å; L22-E25 PolarHBondContact O-N 2.78Å; L22-E25 VanDerWaalsContact O-N 3.08Å; L22-W26 PolarHBondContact O-N 3.18Å
23N81.6Confident78.4Confident69 Ų6968.8 Ų68.837%0.36934%0.339SS..Hα-helixtrans-56.9-39.4-179.3-74-29.4000113.4L9 D19 W20 L27L9-N23 HydrophobicContact CD2-CB 3.82Å; D19-N23 VanDerWaalsContact O-CB 3.27Å; D19-N23 WeakPolarHBondContact O-CB 3.38Å; D19-N23 PolarHBondContact O-N 3.15Å; D19-N23 PolarHBondContact O-ND2 3.14Å; D19-N23 VanDerWaalsContact O-ND2 3.1Å; W20-N23 PolarHBondContact O-N 3.09Å; N23-L27 WeakPolarHBondContact O-CB 3.49Å; N23-L27 PolarHBondContact O-N 2.82Å
24K80.3Confident78.9Confident6 Ų668.4 Ų68.43%0.02633%0.333CS..Hα-helixtrans-68.3-42.9176-72.7-65.3131.9-179.70112.2W20 K21 L22 W26 L27 L28 A71W20-K24 HydrophobicContact CD2-CG 3.78Å; W20-K24 VanDerWaalsContact CE2-CG 3.49Å; W20-K24 HydrophobicContact CE3-CG 4.19Å; W20-K24 HydrophobicContact CG-CG 4.34Å; W20-K24 HydrophobicContact CH2-CG 4.15Å; W20-K24 HydrophobicContact CZ2-CD 4.25Å; W20-K24 HydrophobicContact CZ2-CG 3.74Å; W20-K24 HydrophobicContact CZ3-CG 4.35Å; W20-K24 WeakPolarHBondContact O-CB 3.45Å; W20-K24 VanDerWaalsContact O-CG 3.29Å; W20-K24 WeakPolarHBondContact O-CG 3.38Å; W20-K24 PolarHBondContact O-N 2.83Å; K21-K24 PolarHBondContact O-N 3.3Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 3.26Å; K24-W26 VanDerWaalsContact C-N 3.34Å; K24-W26 PolarHBondContact O-N 3Å; K24-L27 PolarHBondContact O-N 3.3Å; K24-L28 WeakPolarHBondContact O-CB 3.21Å; K24-L28 WeakPolarHBondContact O-CG 3.48Å; K24-L28 PolarHBondContact O-N 3.3Å; K24-A71 HydrophobicContact CD-CB 3.53Å; K24-A71 HydrophobicContact CG-CB 4.45Å
25E79.6Confident79.8Confident45 Ų4569.9 Ų69.921%0.2132%0.324CS..Hα-helixtrans-58.9-47.2175.1175.3170.1179.900111.2K21 L22 L27 L28 R29 W34K21-E25 WeakPolarHBondContact O-CB 3.37Å; K21-E25 PolarHBondContact O-N 3.3Å; L22-E25 WeakPolarHBondContact O-CB 3.48Å; L22-E25 PolarHBondContact O-N 2.78Å; L22-E25 VanDerWaalsContact O-N 3.08Å; E25-L27 PolarHBondContact O-N 3.01Å; E25-L28 PolarHBondContact O-N 3.26Å; E25-R29 HydrophobicContact CG-CG 4.45Å; E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 VanDerWaalsContact O-CG 3.29Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 3.45Å; E25-R29 IonicContact OE1-CZ 2.73Å; E25-R29 IonicContact OE1-NE 3.22Å; E25-R29 PolarHBondContact OE1-NE 3.08Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 3.23Å; E25-W34 HydrophobicContact CB-CH2 3.85Å; E25-W34 HydrophobicContact CB-CZ2 4.48Å; E25-W34 HydrophobicContact CB-CZ3 3.92Å; E25-W34 HydrophobicContact CG-CD2 4.4Å; E25-W34 HydrophobicContact CG-CE3 4.31Å; E25-W34 HydrophobicContact CG-CH2 3.57Å; E25-W34 HydrophobicContact CG-CZ2 3.7Å; E25-W34 HydrophobicContact CG-CZ3 3.9Å
26W84.3Confident79.8Confident175 Ų17566 Ų6666%0.66329%0.293SS*.Hα-helixtrans-62.1-42.8177.5-7976.1000112.1L22 K24 R29 K30L22-W26 PolarHBondContact O-N 3.18Å; K24-W26 VanDerWaalsContact C-N 3.34Å; K24-W26 PolarHBondContact O-N 3Å; W26-R29 PolarHBondContact O-N 3.3Å; W26-K30 VanDerWaalsContact O-CB 3.3Å; W26-K30 WeakPolarHBondContact O-CB 3.43Å; W26-K30 PolarHBondContact O-N 3.49Å
27L84.1Confident79.3Confident15 Ų1566 Ų668%0.07929%0.294CS..Hα-helixtrans-60.1-48.8175.6-17969.4000111.6L9 N23 K24 E25 R29 K30 E31 T67L9-L27 HydrophobicContact CD1-CB 4.33Å; L9-L27 HydrophobicContact CD1-CD2 3.82Å; L9-L27 HydrophobicContact CD1-CG 4.49Å; N23-L27 WeakPolarHBondContact O-CB 3.49Å; N23-L27 PolarHBondContact O-N 2.82Å; K24-L27 PolarHBondContact O-N 3.3Å; E25-L27 PolarHBondContact O-N 3.01Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 3.07Å; L27-K30 WeakPolarHBondContact O-CB 3.27Å; L27-K30 PolarHBondContact O-N 2.85Å; L27-E31 HydrophobicContact CD1-CG 4.37Å; L27-E31 WeakPolarHBondContact O-CG 3.5Å; L27-E31 PolarHBondContact O-N 3.12Å; L27-T67 HydrophobicContact CD2-CG2 3.89Å
28L82.2Confident79.4Confident2 Ų266.8 Ų66.81%0.0130%0.3CS..Hα-helixtrans-70.5-28.9-178.1-66.3175.1000112.4K24 E25 K32 P33 W34 V37 P64 T67 W146K24-L28 WeakPolarHBondContact O-CB 3.21Å; K24-L28 WeakPolarHBondContact O-CG 3.48Å; K24-L28 PolarHBondContact O-N 3.3Å; E25-L28 PolarHBondContact O-N 3.26Å; L28-K32 PolarHBondContact O-N 3.3Å; L28-P33 HydrophobicContact CB-CG 4.37Å; L28-P33 HydrophobicContact CD2-CG 3.78Å; L28-P33 WeakPolarHBondContact O-CD 3.24Å; L28-W34 HydrophobicContact CB-CB 4.29Å; L28-W34 HydrophobicContact CB-CE3 3.69Å; L28-W34 HydrophobicContact CB-CZ3 4.47Å; L28-W34 HydrophobicContact CD1-CE3 3.95Å; L28-W34 HydrophobicContact CD1-CZ3 4.07Å; L28-W34 HydrophobicContact CG-CE3 4.49Å; L28-W34 WeakPolarHBondContact O-CB 3.08Å; L28-W34 PolarHBondContact O-N 3.22Å; L28-V37 HydrophobicContact CD1-CG2 4.31Å; L28-P64 HydrophobicContact CD1-CB 4.36Å; L28-P64 HydrophobicContact CD2-CB 3.8Å; L28-T67 HydrophobicContact CD2-CG2 4.15Å; L28-W146 HydrophobicContact CD1-CZ3 4.22Å
29R84.6Confident79.2Confident142 Ų14262.6 Ų62.654%0.53629%0.288SS..Hα-helixtrans-69.3-44.6169.9-74.3174.6-180-112.36.2110.9E25 W26 L27 E31 K32 W34E25-R29 HydrophobicContact CG-CG 4.45Å; E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 VanDerWaalsContact O-CG 3.29Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 3.45Å; E25-R29 IonicContact OE1-CZ 2.73Å; E25-R29 IonicContact OE1-NE 3.22Å; E25-R29 PolarHBondContact OE1-NE 3.08Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 3.23Å; W26-R29 PolarHBondContact O-N 3.3Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 3.07Å; R29-E31 PolarHBondContact O-N 3.28Å; R29-K32 PolarHBondContact O-N 3.01Å; R29-W34 HydrophobicContact CG-CB 3.89Å; R29-W34 HydrophobicContact CG-CD2 4.1Å; R29-W34 HydrophobicContact CG-CG 3.65Å
30K86.5Confident78.9Confident99 Ų9964 Ų6443%0.4330%0.295SS..Hα-helixtrans-59.7-44.7178.2-169.2-165.9-177.6-171.70111.9M1 E5 W26 L27 K32M1-K30 HydrophobicContact CE-CD 3.66Å; M1-K30 HydrophobicContact CE-CG 3.72Å; M1-K30 HydrophobicContact SD-CD 3.99Å; M1-K30 WeakPolarHBondContact SD-CE 3.2Å; M1-K30 PolarHBondContact SD-NZ 3.06Å; M1-K30 VanDerWaalsContact SD-NZ 3.35Å; E5-K30 IonicContact OE1-NZ 2.68Å; E5-K30 PolarHBondContact OE1-NZ 3.36Å; E5-K30 IonicContact OE2-NZ 3.71Å; E5-K30 PolarHBondContact OE2-NZ 3.09Å; W26-K30 VanDerWaalsContact O-CB 3.3Å; W26-K30 WeakPolarHBondContact O-CB 3.43Å; W26-K30 PolarHBondContact O-N 3.49Å; L27-K30 WeakPolarHBondContact O-CB 3.27Å; L27-K30 PolarHBondContact O-N 2.85Å; K30-K32 VanDerWaalsContact C-N 3.26Å; K30-K32 PolarHBondContact O-N 3.35Å
31E84.3Confident78.5Confident79 Ų7966.1 Ų66.137%0.36931%0.308SS..THydrogen-bonded Turntrans-79.1-8.1-179.6-66-65.5169.400113.3M1 L27 R29 P33M1-E31 HydrophobicContact CE-CG 4.33Å; M1-E31 WeakPolarHBondContact CE-OE1 3.17Å; M1-E31 VanDerWaalsContact CG-OE1 3.26Å; M1-E31 WeakPolarHBondContact CG-OE1 3.38Å; L27-E31 HydrophobicContact CD1-CG 4.37Å; L27-E31 WeakPolarHBondContact O-CG 3.5Å; L27-E31 PolarHBondContact O-N 3.12Å; R29-E31 PolarHBondContact O-N 3.28Å; E31-P33 VanDerWaalsContact CB-CD 3.43Å; E31-P33 HydrophobicContact CB-CG 4.13Å; E31-P33 WeakPolarHBondContact O-CD 3.47Å
32K84.4Confident78.5Confident163 Ų16371.4 Ų71.471%0.70933%0.331SS*.SBendtrans73.7-4.5-175.1-48.1172-179.6175.10119.1L28 R29 K30 W34L28-K32 PolarHBondContact O-N 3.3Å; R29-K32 PolarHBondContact O-N 3.01Å; K30-K32 VanDerWaalsContact C-N 3.26Å; K30-K32 PolarHBondContact O-N 3.35Å; K32-W34 PolarHBondContact O-N 3.07Å
33P80.6Confident78.6Confident9 Ų973 Ų736%0.05833%0.331CS..G310 helixtrans-74.2-7.5177.132.4-39.3000113.9L28 E31 K35 Y36 I63 P64L28-P33 HydrophobicContact CB-CG 4.37Å; L28-P33 HydrophobicContact CD2-CG 3.78Å; L28-P33 WeakPolarHBondContact O-CD 3.24Å; E31-P33 VanDerWaalsContact CB-CD 3.43Å; E31-P33 HydrophobicContact CB-CG 4.13Å; E31-P33 WeakPolarHBondContact O-CD 3.47Å; P33-K35 PolarHBondContact O-N 2.96Å; P33-Y36 WeakPolarHBondContact O-CB 3.48Å; P33-Y36 PolarHBondContact O-N 2.95Å; P33-I63 HydrophobicContact CB-CG2 4.39Å; P33-I63 HydrophobicContact CG-CG2 4.44Å; P33-P64 HydrophobicContact CB-CB 3.99Å; P33-P64 HydrophobicContact CB-CG 3.94Å; P33-P64 HydrophobicContact CG-CB 4.32Å
34W77.7Confident78.7Confident48 Ų4870.9 Ų70.918%0.18232%0.321CS..G310 helixtrans-52.4-31.3-179-173.9-102.8000114.4E25 L28 R29 K32 Y36 V37 D38E25-W34 HydrophobicContact CB-CH2 3.85Å; E25-W34 HydrophobicContact CB-CZ2 4.48Å; E25-W34 HydrophobicContact CB-CZ3 3.92Å; E25-W34 HydrophobicContact CG-CD2 4.4Å; E25-W34 HydrophobicContact CG-CE3 4.31Å; E25-W34 HydrophobicContact CG-CH2 3.57Å; E25-W34 HydrophobicContact CG-CZ2 3.7Å; E25-W34 HydrophobicContact CG-CZ3 3.9Å; L28-W34 HydrophobicContact CB-CB 4.29Å; L28-W34 HydrophobicContact CB-CE3 3.69Å; L28-W34 HydrophobicContact CB-CZ3 4.47Å; L28-W34 HydrophobicContact CD1-CE3 3.95Å; L28-W34 HydrophobicContact CD1-CZ3 4.07Å; L28-W34 HydrophobicContact CG-CE3 4.49Å; L28-W34 WeakPolarHBondContact O-CB 3.08Å; L28-W34 PolarHBondContact O-N 3.22Å; R29-W34 HydrophobicContact CG-CB 3.89Å; R29-W34 HydrophobicContact CG-CD2 4.1Å; R29-W34 HydrophobicContact CG-CG 3.65Å; K32-W34 PolarHBondContact O-N 3.07Å; W34-Y36 PolarHBondContact O-N 3.39Å; W34-Y36 VanDerWaalsContact O-N 3.13Å; W34-V37 HydrophobicContact CD2-CB 4.43Å; W34-V37 HydrophobicContact CD2-CG1 4.36Å; W34-V37 HydrophobicContact CE3-CB 4.02Å; W34-V37 HydrophobicContact CE3-CG1 3.72Å; W34-V37 HydrophobicContact CH2-CG1 4Å; W34-V37 HydrophobicContact CZ3-CB 4.35Å; W34-V37 HydrophobicContact CZ3-CG1 3.53Å; W34-V37 WeakPolarHBondContact O-CA 3.49Å; W34-V37 WeakPolarHBondContact O-CB 3.29Å; W34-V37 PolarHBondContact O-N 2.87Å; W34-D38 PolarHBondContact NE1-OD2 3.34Å; W34-D38 VanDerWaalsContact O-CG 3.3Å; W34-D38 PolarHBondContact O-N 3.17Å
35K77.5Confident78.7Confident86 Ų8678.6 Ų78.637%0.37436%0.357SS..G310 helixtrans-61.6-19.4177.270-177.6-178172.10114.7P33 D38 V41P33-K35 PolarHBondContact O-N 2.96Å; K35-D38 VanDerWaalsContact C-OD1 3.31Å; K35-D38 VanDerWaalsContact CA-OD1 3.26Å; K35-D38 WeakPolarHBondContact CA-OD1 3.06Å; K35-D38 VanDerWaalsContact O-OD1 3.1Å; K35-V41 HydrophobicContact CB-CG2 3.89Å; K35-V41 HydrophobicContact CD-CG2 3.9Å; K35-V41 HydrophobicContact CG-CG2 3.76Å; K35-V41 WeakPolarHBondContact O-CB 3.4Å; K35-V41 WeakPolarHBondContact O-CG2 3.46Å; K35-V41 PolarHBondContact O-N 3.43Å
36Y72.2Confident78.9Confident26 Ų2681.9 Ų81.910%0.10237%0.373CS..G310 helixtrans-89.7-13.6172.9-62.5-77.2000112.2P33 W34 V41 F57 Q60 A61P33-Y36 WeakPolarHBondContact O-CB 3.48Å; P33-Y36 PolarHBondContact O-N 2.95Å; W34-Y36 PolarHBondContact O-N 3.39Å; W34-Y36 VanDerWaalsContact O-N 3.13Å; Y36-V41 HydrophobicContact CD1-CB 4.22Å; Y36-V41 HydrophobicContact CD1-CG1 4.34Å; Y36-V41 HydrophobicContact CE1-CB 4.17Å; Y36-V41 HydrophobicContact CE1-CG1 3.91Å; Y36-F57 AromaticContact CD1-CD2 3.91Å; Y36-F57 HydrophobicContact CD1-CD2 3.91Å; Y36-F57 AromaticContact CD1-CE2 3.58Å; Y36-F57 HydrophobicContact CD1-CE2 3.58Å; Y36-F57 HydrophobicContact CD1-CZ 4.01Å; Y36-F57 AromaticContact CE1-CD2 3.75Å; Y36-F57 HydrophobicContact CE1-CD2 3.75Å; Y36-F57 AromaticContact CE1-CE2 3.87Å; Y36-F57 HydrophobicContact CE1-CE2 3.87Å; Y36-F57 HydrophobicContact CE1-CG 4.46Å; Y36-Q60 HydrophobicContact CD1-CB 4.47Å; Y36-Q60 HydrophobicContact CD2-CB 4.14Å; Y36-Q60 HydrophobicContact CE1-CB 3.94Å; Y36-Q60 HydrophobicContact CE2-CB 3.56Å; Y36-Q60 HydrophobicContact CE2-CG 4.33Å; Y36-Q60 VanDerWaalsContact CZ-CB 3.49Å; Y36-Q60 PolarHBondContact OH-OE1 3.26Å; Y36-A61 HydrophobicContact CD1-CB 4.46Å
37V66.4Low79.2Confident6 Ų676.8 Ų76.84%0.03636%0.361CS..THydrogen-bonded Turntrans-97.4-40.9-177.2167.90000111.5L28 W34 G39 P64 V149L28-V37 HydrophobicContact CD1-CG2 4.31Å; W34-V37 HydrophobicContact CD2-CB 4.43Å; W34-V37 HydrophobicContact CD2-CG1 4.36Å; W34-V37 HydrophobicContact CE3-CB 4.02Å; W34-V37 HydrophobicContact CE3-CG1 3.72Å; W34-V37 HydrophobicContact CH2-CG1 4Å; W34-V37 HydrophobicContact CZ3-CB 4.35Å; W34-V37 HydrophobicContact CZ3-CG1 3.53Å; W34-V37 WeakPolarHBondContact O-CA 3.49Å; W34-V37 WeakPolarHBondContact O-CB 3.29Å; W34-V37 PolarHBondContact O-N 2.87Å; V37-G39 VanDerWaalsContact C-N 3.25Å; V37-G39 PolarHBondContact O-N 3.12Å; V37-P64 HydrophobicContact CG2-CB 3.39Å; V37-P64 HydrophobicContact CG2-CG 3.76Å; V37-V149 HydrophobicContact CB-CG2 3.82Å; V37-V149 HydrophobicContact CG1-CG2 3.47Å; V37-V149 VanDerWaalsContact CG1-CG2 3.47Å; V37-V149 HydrophobicContact CG2-CG1 4.13Å; V37-V149 HydrophobicContact CG2-CG2 3.92Å
38D71.6Confident79.3Confident48 Ų4887.9 Ų87.926%0.25740%0.402SS..SBendtrans-81-0.9-179648.1000114.6W34 K35 L40W34-D38 PolarHBondContact NE1-OD2 3.34Å; W34-D38 VanDerWaalsContact O-CG 3.3Å; W34-D38 PolarHBondContact O-N 3.17Å; K35-D38 VanDerWaalsContact C-OD1 3.31Å; K35-D38 VanDerWaalsContact CA-OD1 3.26Å; K35-D38 WeakPolarHBondContact CA-OD1 3.06Å; K35-D38 VanDerWaalsContact O-OD1 3.1Å; D38-L40 VanDerWaalsContact C-N 3.25Å; D38-L40 PolarHBondContact O-N 3.37Å; D38-L40 VanDerWaalsContact OD1-CB 3.23Å; D38-L40 WeakPolarHBondContact OD1-CB 3.5Å; D38-L40 VanDerWaalsContact OD1-CG 3.31Å; D38-L40 WeakPolarHBondContact OD1-CG 3.42Å; D38-L40 PolarHBondContact OD1-N 3.19Å; D38-L40 WeakPolarHBondContact OD2-CD1 3.49Å; D38-L40 WeakPolarHBondContact OD2-CG 3.29Å
39G68Low79.6Confident28 Ų2896.6 Ų96.629%0.28945%0.445SS..SBendtrans757-179.100000114.8V37 V41V37-G39 VanDerWaalsContact C-N 3.25Å; V37-G39 PolarHBondContact O-N 3.12Å; G39-V41 VanDerWaalsContact C-N 3.3Å; G39-V41 PolarHBondContact O-N 3.11Å
40L71.9Confident79.9Confident137 Ų13791.1 Ų91.172%0.71743%0.426SS*.SBendtrans-62.6-38.7175.2-72.9180000111.5D38D38-L40 VanDerWaalsContact C-N 3.25Å; D38-L40 PolarHBondContact O-N 3.37Å; D38-L40 VanDerWaalsContact OD1-CB 3.23Å; D38-L40 WeakPolarHBondContact OD1-CB 3.5Å; D38-L40 VanDerWaalsContact OD1-CG 3.31Å; D38-L40 WeakPolarHBondContact OD1-CG 3.42Å; D38-L40 PolarHBondContact OD1-N 3.19Å; D38-L40 WeakPolarHBondContact OD2-CD1 3.49Å; D38-L40 WeakPolarHBondContact OD2-CG 3.29Å
41V74.9Confident80.1Confident50 Ų5088.9 Ų88.930%0.30343%0.425SS..SBendtrans-96.2111.7169.7-169.60000108.3K35 Y36 G39 F57K35-V41 HydrophobicContact CB-CG2 3.89Å; K35-V41 HydrophobicContact CD-CG2 3.9Å; K35-V41 HydrophobicContact CG-CG2 3.76Å; K35-V41 WeakPolarHBondContact O-CB 3.4Å; K35-V41 WeakPolarHBondContact O-CG2 3.46Å; K35-V41 PolarHBondContact O-N 3.43Å; Y36-V41 HydrophobicContact CD1-CB 4.22Å; Y36-V41 HydrophobicContact CD1-CG1 4.34Å; Y36-V41 HydrophobicContact CE1-CB 4.17Å; Y36-V41 HydrophobicContact CE1-CG1 3.91Å; G39-V41 VanDerWaalsContact C-N 3.3Å; G39-V41 PolarHBondContact O-N 3.11Å; V41-F57 HydrophobicContact CB-CE2 4.2Å; V41-F57 HydrophobicContact CG1-CD2 3.89Å; V41-F57 HydrophobicContact CG1-CE2 3.72Å; V41-F57 WeakPolarHBondContact O-CE2 3.48Å
42K77.1Confident80.4Confident177 Ų17788.2 Ų88.277%0.7743%0.434SS*.PPolyproline II helixtrans-79.9141173.3-65.6-172.9177.8-174.90110.2P44K42-P44 WeakPolarHBondContact O-CD 3.37Å
43R81.8Confident80.7Confident124 Ų12485.8 Ų85.847%0.46843%0.425SS..PPolyproline II helixtrans-60.2124.4168.4-172.6171.1-173.8-971.2108.7F57 D58R43-F57 HydrophobicContact CB-CD1 3.82Å; R43-F57 HydrophobicContact CB-CE1 3.48Å; R43-F57 VanDerWaalsContact CB-CE1 3.48Å; R43-F57 HydrophobicContact CB-CE2 4.24Å; R43-F57 HydrophobicContact CB-CG 4.37Å; R43-F57 HydrophobicContact CB-CZ 3.71Å; R43-F57 HydrophobicContact CG-CD1 3.61Å; R43-F57 HydrophobicContact CG-CE1 3.74Å; R43-F57 HydrophobicContact CG-CG 4.25Å; R43-F57 HydrophobicContact CG-CZ 4.43Å; R43-D58 IonicContact CZ-OD1 3.53Å; R43-D58 IonicContact CZ-OD2 2.88Å; R43-D58 IonicContact NE-OD1 4Å; R43-D58 PolarHBondContact NE-OD1 3.05Å; R43-D58 IonicContact NE-OD2 3.6Å; R43-D58 IonicContact NH2-OD1 2.78Å; R43-D58 IonicContact NH2-OD2 3.64Å; R43-D58 PolarHBondContact NH2-OD2 2.06Å
44P82.6Confident80.8Confident24 Ų2485.4 Ų85.416%0.15642%0.422CS..PPolyproline II helixtrans-61144.1175.1-18.429.5000110.5K42 Q46 E53 V54K42-P44 WeakPolarHBondContact O-CD 3.37Å; P44-Q46 PolarHBondContact O-N 3.2Å; P44-E53 HydrophobicContact CG-CG 3.92Å; P44-V54 HydrophobicContact CB-CG2 4.06Å
45E80.4Confident81.2Confident168 Ų16889.3 Ų89.379%0.78544%0.441SS*.PPolyproline II helixtrans-64.3133.4171.1-70.6-177.2179.400109.6T47 N50E45-T47 PolarHBondContact O-N 3.37Å; E45-T47 VanDerWaalsContact O-N 3.09Å; E45-N50 PolarHBondContact O-ND2 3.37Å; E45-N50 PolarHBondContact O-OD1 3.09Å
46Q84.4Confident81.7Confident114 Ų11493.2 Ų93.253%0.53345%0.453SS..  trans-67.2112.5-179.3-174.978.347.900110P44 V54P44-Q46 PolarHBondContact O-N 3.2Å; Q46-V54 VanDerWaalsContact OE1-CG1 3.24Å
47T89.6Confident82.4Confident67 Ų6793.1 Ų93.141%0.41145%0.453SS..  trans-118.6167.6171.5730000110E45 M49 N50E45-T47 PolarHBondContact O-N 3.37Å; E45-T47 VanDerWaalsContact O-N 3.09Å; T47-M49 PolarHBondContact O-N 3.09Å; T47-M49 PolarHBondContact OG1-N 2.79Å; T47-N50 WeakPolarHBondContact CA-OD1 3.39Å; T47-N50 PolarHBondContact N-OD1 2.9Å; T47-N50 PolarHBondContact O-OD1 2.91Å; T47-N50 VanDerWaalsContact O-OD1 3.07Å; T47-N50 PolarHBondContact OG1-N 2.9Å; T47-N50 PolarHBondContact OG1-OD1 3.1Å
48R86.4Confident83Confident249 Ų24995.7 Ų95.794%0.9447%0.467SS*.SBendtrans-61.1-27.7176-172.6176175.3177.8-0.7112.8
49M89.6Confident83.5Confident185 Ų18598.2 Ų98.291%0.91148%0.477SS*.SBendtrans-93.8-21.9-172.3-66-177.866.400114.1T47T47-M49 PolarHBondContact O-N 3.09Å; T47-M49 PolarHBondContact OG1-N 2.79Å
50N91Very high84.2Confident27 Ų27100.5 Ų100.514%0.14448%0.48CS..  trans-111.319.3-171.773.4-14.5000114E45 T47 A52 E53 V54E45-N50 PolarHBondContact O-ND2 3.37Å; E45-N50 PolarHBondContact O-OD1 3.09Å; T47-N50 WeakPolarHBondContact CA-OD1 3.39Å; T47-N50 PolarHBondContact N-OD1 2.9Å; T47-N50 PolarHBondContact O-OD1 2.91Å; T47-N50 VanDerWaalsContact O-OD1 3.07Å; T47-N50 PolarHBondContact OG1-N 2.9Å; T47-N50 PolarHBondContact OG1-OD1 3.1Å; N50-A52 PolarHBondContact O-N 2.89Å; N50-A52 VanDerWaalsContact O-N 3.13Å; N50-E53 HydrophobicContact CB-CB 4.21Å; N50-E53 WeakPolarHBondContact O-CA 3.23Å; N50-E53 WeakPolarHBondContact O-CB 3.27Å; N50-E53 PolarHBondContact O-N 3.46Å; N50-V54 PolarHBondContact O-N 3.29Å
51A89.1Confident84.3Confident51 Ų5194.8 Ų94.842%0.42145%0.453SS..Hα-helixtrans-54.1-36.5-179.100000113.3K55A51-K55 WeakPolarHBondContact O-CB 3.49Å; A51-K55 PolarHBondContact O-N 2.98Å
52A92.4Very high84.3Confident66 Ų6697.5 Ų97.555%0.54546%0.462SS..Hα-helixtrans-68.9-32.617600000113.3N50 R56N50-A52 PolarHBondContact O-N 2.89Å; N50-A52 VanDerWaalsContact O-N 3.13Å; A52-R56 VanDerWaalsContact O-CG 3.28Å; A52-R56 WeakPolarHBondContact O-CG 3.47Å; A52-R56 PolarHBondContact O-N 2.97Å; A52-R56 VanDerWaalsContact O-N 3.1Å
53E90.1Very high84.3Confident111 Ų11193.5 Ų93.552%0.51945%0.448SS..Hα-helixtrans-72.5-45.5177.7-167.9-170.4172.500111P44 N50 K55 R56 F57P44-E53 HydrophobicContact CG-CG 3.92Å; N50-E53 HydrophobicContact CB-CB 4.21Å; N50-E53 WeakPolarHBondContact O-CA 3.23Å; N50-E53 WeakPolarHBondContact O-CB 3.27Å; N50-E53 PolarHBondContact O-N 3.46Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 2.89Å; E53-R56 PolarHBondContact O-N 3.35Å; E53-F57 PolarHBondContact O-N 3Å
54V82.1Confident83.8Confident1 Ų187.6 Ų87.61%0.00643%0.426CS..Hα-helixtrans-60.2-45.6175.5-179.80000110.5P44 Q46 N50 R56 F57 D58P44-V54 HydrophobicContact CB-CG2 4.06Å; Q46-V54 VanDerWaalsContact OE1-CG1 3.24Å; N50-V54 PolarHBondContact O-N 3.29Å; V54-R56 PolarHBondContact O-N 2.82Å; V54-F57 WeakPolarHBondContact O-CB 3.13Å; V54-F57 PolarHBondContact O-N 3.29Å; V54-F57 VanDerWaalsContact O-N 3.13Å; V54-D58 VanDerWaalsContact O-CG 3.3Å; V54-D58 PolarHBondContact O-N 3.26Å
55K85.9Confident83.1Confident130 Ų13089.3 Ų89.357%0.56543%0.432SS*.Hα-helixtrans-57.9-46.1175.8-176.5176.1174.3179.30112.3A51 E53 F57 D58 E59A51-K55 WeakPolarHBondContact O-CB 3.49Å; A51-K55 PolarHBondContact O-N 2.98Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 2.89Å; K55-F57 VanDerWaalsContact C-N 3.3Å; K55-F57 PolarHBondContact O-N 3.14Å; K55-D58 PolarHBondContact O-N 3.28Å; K55-E59 WeakPolarHBondContact CE-OE1 3.46Å; K55-E59 IonicContact NZ-OE1 2.98Å; K55-E59 WeakPolarHBondContact O-CB 3.48Å; K55-E59 WeakPolarHBondContact O-CG 3.15Å; K55-E59 PolarHBondContact O-N 3.06Å
56R89.1Confident82.7Confident168 Ų16884.1 Ų84.163%0.63441%0.412SS*.Hα-helixtrans-64.3-33.6176.5-76.6176.9-172.9176.43.6113.1A52 E53 V54 Q60A52-R56 VanDerWaalsContact O-CG 3.28Å; A52-R56 WeakPolarHBondContact O-CG 3.47Å; A52-R56 PolarHBondContact O-N 2.97Å; A52-R56 VanDerWaalsContact O-N 3.1Å; E53-R56 PolarHBondContact O-N 3.35Å; V54-R56 PolarHBondContact O-N 2.82Å; R56-Q60 WeakPolarHBondContact O-CB 3.48Å; R56-Q60 WeakPolarHBondContact O-CG 3.13Å; R56-Q60 PolarHBondContact O-N 3.44Å; R56-Q60 PolarHBondContact O-NE2 2.87Å
57F86.9Confident82.4Confident25 Ų2580.4 Ų80.411%0.1140%0.397CS..Hα-helixtrans-65.6-50.8173.2178.5-80.6000109.8Y36 V41 R43 E53 V54 K55 E59 Q60 A61Y36-F57 AromaticContact CD1-CD2 3.91Å; Y36-F57 HydrophobicContact CD1-CD2 3.91Å; Y36-F57 AromaticContact CD1-CE2 3.58Å; Y36-F57 HydrophobicContact CD1-CE2 3.58Å; Y36-F57 HydrophobicContact CD1-CZ 4.01Å; Y36-F57 AromaticContact CE1-CD2 3.75Å; Y36-F57 HydrophobicContact CE1-CD2 3.75Å; Y36-F57 AromaticContact CE1-CE2 3.87Å; Y36-F57 HydrophobicContact CE1-CE2 3.87Å; Y36-F57 HydrophobicContact CE1-CG 4.46Å; V41-F57 HydrophobicContact CB-CE2 4.2Å; V41-F57 HydrophobicContact CG1-CD2 3.89Å; V41-F57 HydrophobicContact CG1-CE2 3.72Å; V41-F57 WeakPolarHBondContact O-CE2 3.48Å; R43-F57 HydrophobicContact CB-CD1 3.82Å; R43-F57 HydrophobicContact CB-CE1 3.48Å; R43-F57 VanDerWaalsContact CB-CE1 3.48Å; R43-F57 HydrophobicContact CB-CE2 4.24Å; R43-F57 HydrophobicContact CB-CG 4.37Å; R43-F57 HydrophobicContact CB-CZ 3.71Å; R43-F57 HydrophobicContact CG-CD1 3.61Å; R43-F57 HydrophobicContact CG-CE1 3.74Å; R43-F57 HydrophobicContact CG-CG 4.25Å; R43-F57 HydrophobicContact CG-CZ 4.43Å; E53-F57 PolarHBondContact O-N 3Å; V54-F57 WeakPolarHBondContact O-CB 3.13Å; V54-F57 PolarHBondContact O-N 3.29Å; V54-F57 VanDerWaalsContact O-N 3.13Å; K55-F57 VanDerWaalsContact C-N 3.3Å; K55-F57 PolarHBondContact O-N 3.14Å; F57-E59 PolarHBondContact O-N 2.98Å; F57-Q60 PolarHBondContact O-N 3.03Å; F57-Q60 VanDerWaalsContact O-N 3.13Å; F57-A61 HydrophobicContact CD1-CB 4.2Å; F57-A61 HydrophobicContact CE1-CB 3.85Å; F57-A61 HydrophobicContact CZ-CB 4.44Å; F57-A61 VanDerWaalsContact O-CB 3.28Å; F57-A61 WeakPolarHBondContact O-CB 3.13Å; F57-A61 PolarHBondContact O-N 2.83Å
58D78Confident81.6Confident60 Ų6077.2 Ų77.232%0.32138%0.377SS..Hα-helixtrans-60.6-44.5-177.2-68.2-18.9000110.9R43 V54 K55 Q60 A61 E62R43-D58 IonicContact CZ-OD1 3.53Å; R43-D58 IonicContact CZ-OD2 2.88Å; R43-D58 IonicContact NE-OD1 4Å; R43-D58 PolarHBondContact NE-OD1 3.05Å; R43-D58 IonicContact NE-OD2 3.6Å; R43-D58 IonicContact NH2-OD1 2.78Å; R43-D58 IonicContact NH2-OD2 3.64Å; R43-D58 PolarHBondContact NH2-OD2 2.06Å; V54-D58 VanDerWaalsContact O-CG 3.3Å; V54-D58 PolarHBondContact O-N 3.26Å; K55-D58 PolarHBondContact O-N 3.28Å; D58-Q60 VanDerWaalsContact C-N 3.35Å; D58-Q60 PolarHBondContact O-N 3.23Å; D58-A61 PolarHBondContact O-N 3.27Å; D58-E62 WeakPolarHBondContact O-CB 3.46Å; D58-E62 PolarHBondContact O-N 2.8Å
59E83.4Confident80.9Confident101 Ų10166.6 Ų66.647%0.47234%0.34SS..Hα-helixtrans-59.6-40.5174.5-73.4170.8174.900112.8K55 F57K55-E59 WeakPolarHBondContact CE-OE1 3.46Å; K55-E59 IonicContact NZ-OE1 2.98Å; K55-E59 WeakPolarHBondContact O-CB 3.48Å; K55-E59 WeakPolarHBondContact O-CG 3.15Å; K55-E59 PolarHBondContact O-N 3.06Å; F57-E59 PolarHBondContact O-N 2.98Å
60Q81.5Confident80.3Confident75 Ų7563 Ų6335%0.3532%0.324SS..Hα-helixtrans-77.8-31.3178.9-75.7175.182.600112.8Y36 R56 F57 D58 E62 I63 P64Y36-Q60 HydrophobicContact CD1-CB 4.47Å; Y36-Q60 HydrophobicContact CD2-CB 4.14Å; Y36-Q60 HydrophobicContact CE1-CB 3.94Å; Y36-Q60 HydrophobicContact CE2-CB 3.56Å; Y36-Q60 HydrophobicContact CE2-CG 4.33Å; Y36-Q60 VanDerWaalsContact CZ-CB 3.49Å; Y36-Q60 PolarHBondContact OH-OE1 3.26Å; R56-Q60 WeakPolarHBondContact O-CB 3.48Å; R56-Q60 WeakPolarHBondContact O-CG 3.13Å; R56-Q60 PolarHBondContact O-N 3.44Å; R56-Q60 PolarHBondContact O-NE2 2.87Å; F57-Q60 PolarHBondContact O-N 3.03Å; F57-Q60 VanDerWaalsContact O-N 3.13Å; D58-Q60 VanDerWaalsContact C-N 3.35Å; D58-Q60 PolarHBondContact O-N 3.23Å; Q60-E62 VanDerWaalsContact C-N 3.3Å; Q60-I63 PolarHBondContact O-N 3.18Å; Q60-P64 WeakPolarHBondContact O-CD 3.39Å
61A73.9Confident79.6Confident17 Ų1762 Ų6214%0.1432%0.319CS..Hα-helixtrans-72.1-25.7175.300000112Y36 F57 D58 P64 Q65Y36-A61 HydrophobicContact CD1-CB 4.46Å; F57-A61 HydrophobicContact CD1-CB 4.2Å; F57-A61 HydrophobicContact CE1-CB 3.85Å; F57-A61 HydrophobicContact CZ-CB 4.44Å; F57-A61 VanDerWaalsContact O-CB 3.28Å; F57-A61 WeakPolarHBondContact O-CB 3.13Å; F57-A61 PolarHBondContact O-N 2.83Å; D58-A61 PolarHBondContact O-N 3.27Å; A61-P64 VanDerWaalsContact O-CD 3.23Å; A61-P64 WeakPolarHBondContact O-CD 3.26Å; A61-P64 VanDerWaalsContact O-CG 3.28Å; A61-P64 WeakPolarHBondContact O-CG 3.47Å; A61-Q65 WeakPolarHBondContact O-CB 3.41Å
62E75.2Confident78.6Confident108 Ų10859.7 Ų59.751%0.50530%0.3SS..Hα-helixtrans-66-34.5174-170.6177.6-179.400112.5D58 Q60 Q65 T66D58-E62 WeakPolarHBondContact O-CB 3.46Å; D58-E62 PolarHBondContact O-N 2.8Å; Q60-E62 VanDerWaalsContact C-N 3.3Å; E62-Q65 WeakPolarHBondContact O-CA 3.42Å; E62-Q65 WeakPolarHBondContact O-CB 3.08Å; E62-Q65 PolarHBondContact O-N 2.71Å; E62-T66 WeakPolarHBondContact O-CB 3.4Å; E62-T66 PolarHBondContact O-N 3.31Å; E62-T66 PolarHBondContact O-OG1 3.31Å
63I76.7Confident77.5Confident93 Ų9360.3 Ų60.348%0.47729%0.291SS..Hα-helixtrans-55.8-58.4-179.9-61.2171.1000113P33 Q60 Q65 T66 T67P33-I63 HydrophobicContact CB-CG2 4.39Å; P33-I63 HydrophobicContact CG-CG2 4.44Å; Q60-I63 PolarHBondContact O-N 3.18Å; I63-Q65 PolarHBondContact O-N 2.76Å; I63-T66 PolarHBondContact O-N 2.81Å; I63-T67 VanDerWaalsContact O-CB 3.27Å; I63-T67 WeakPolarHBondContact O-CB 3.49Å; I63-T67 PolarHBondContact O-N 2.74Å; I63-T67 PolarHBondContact O-OG1 3.37Å
64P72.3Confident76.8Confident0 Ų057.7 Ų57.70%028%0.284CS..Hα-helixtrans-64.3-32177.825-32.2000111.7L28 P33 V37 Q60 A61 T68L28-P64 HydrophobicContact CD1-CB 4.36Å; L28-P64 HydrophobicContact CD2-CB 3.8Å; P33-P64 HydrophobicContact CB-CB 3.99Å; P33-P64 HydrophobicContact CB-CG 3.94Å; P33-P64 HydrophobicContact CG-CB 4.32Å; V37-P64 HydrophobicContact CG2-CB 3.39Å; V37-P64 HydrophobicContact CG2-CG 3.76Å; Q60-P64 WeakPolarHBondContact O-CD 3.39Å; A61-P64 VanDerWaalsContact O-CD 3.23Å; A61-P64 WeakPolarHBondContact O-CD 3.26Å; A61-P64 VanDerWaalsContact O-CG 3.28Å; A61-P64 WeakPolarHBondContact O-CG 3.47Å; P64-T68 WeakPolarHBondContact O-CB 3.31Å; P64-T68 PolarHBondContact O-N 3.44Å; P64-T68 VanDerWaalsContact O-N 3.08Å; P64-T68 PolarHBondContact O-OG1 3.45Å
65Q67.2Low76Confident59 Ų5960.9 Ų60.928%0.27631%0.307SS..Hα-helixtrans-57.2-55.3176.1-126.6-149.4-23.800111.4A61 E62 I63 T68 V69 R150A61-Q65 WeakPolarHBondContact O-CB 3.41Å; E62-Q65 WeakPolarHBondContact O-CA 3.42Å; E62-Q65 WeakPolarHBondContact O-CB 3.08Å; E62-Q65 PolarHBondContact O-N 2.71Å; I63-Q65 PolarHBondContact O-N 2.76Å; Q65-T68 PolarHBondContact O-N 3.38Å; Q65-V69 PolarHBondContact O-N 3.05Å; Q65-V69 VanDerWaalsContact O-N 3.09Å; Q65-R150 VanDerWaalsContact CD-CZ 3.45Å; Q65-R150 VanDerWaalsContact CD-NH2 3.35Å; Q65-R150 HydrophobicContact CG-CG 3.96Å; Q65-R150 VanDerWaalsContact CG-CZ 3.5Å; Q65-R150 VanDerWaalsContact CG-NE 3.33Å; Q65-R150 VanDerWaalsContact CG-NH2 3.25Å; Q65-R150 PolarHBondContact O-NH2 2.83Å
66T73.1Confident75Confident59 Ų5957.1 Ų57.136%0.36229%0.291SS..Hα-helixtrans-72-44.3-175.8-64.10000110.2E62 I63 T68 V69 L70E62-T66 WeakPolarHBondContact O-CB 3.4Å; E62-T66 PolarHBondContact O-N 3.31Å; E62-T66 PolarHBondContact O-OG1 3.31Å; I63-T66 PolarHBondContact O-N 2.81Å; T66-T68 PolarHBondContact O-N 3.47Å; T66-T68 VanDerWaalsContact O-N 3.12Å; T66-V69 PolarHBondContact O-N 2.95Å; T66-L70 HydrophobicContact CG2-CD1 3.95Å; T66-L70 HydrophobicContact CG2-CG 4.36Å; T66-L70 WeakPolarHBondContact O-CB 3.48Å; T66-L70 VanDerWaalsContact O-CG 3.28Å; T66-L70 WeakPolarHBondContact O-CG 3.24Å; T66-L70 PolarHBondContact O-N 3.24Å
67T77.1Confident73.8Confident36 Ų3650.3 Ų50.322%0.22127%0.266CS..Hα-helixtrans-52.6-38.3175.2-59.80000111.7L27 L28 I63 A71L27-T67 HydrophobicContact CD2-CG2 3.89Å; L28-T67 HydrophobicContact CD2-CG2 4.15Å; I63-T67 VanDerWaalsContact O-CB 3.27Å; I63-T67 WeakPolarHBondContact O-CB 3.49Å; I63-T67 PolarHBondContact O-N 2.74Å; I63-T67 PolarHBondContact O-OG1 3.37Å; T67-A71 PolarHBondContact O-N 2.98Å
68T73.3Confident72.4Confident0 Ų053.2 Ų53.20%028%0.28CS..Hα-helixtrans-85.6-34.6-177.4-50.80000113.5W20 P64 Q65 T66 L70 A71 I72 W146W20-T68 HydrophobicContact CH2-CG2 3.34Å; W20-T68 HydrophobicContact CZ2-CG2 3.51Å; P64-T68 WeakPolarHBondContact O-CB 3.31Å; P64-T68 PolarHBondContact O-N 3.44Å; P64-T68 VanDerWaalsContact O-N 3.08Å; P64-T68 PolarHBondContact O-OG1 3.45Å; Q65-T68 PolarHBondContact O-N 3.38Å; T66-T68 PolarHBondContact O-N 3.47Å; T66-T68 VanDerWaalsContact O-N 3.12Å; T68-L70 PolarHBondContact O-N 3.29Å; T68-A71 WeakPolarHBondContact O-CA 3.43Å; T68-A71 VanDerWaalsContact O-CB 3.24Å; T68-A71 WeakPolarHBondContact O-CB 3.29Å; T68-A71 PolarHBondContact O-N 3.21Å; T68-I72 WeakPolarHBondContact O-CG1 3.5Å; T68-I72 PolarHBondContact O-N 2.97Å; T68-W146 HydrophobicContact CG2-CD2 3.98Å; T68-W146 HydrophobicContact CG2-CE3 3.82Å; T68-W146 HydrophobicContact CG2-CH2 3.09Å; T68-W146 HydrophobicContact CG2-CZ2 3.11Å; T68-W146 HydrophobicContact CG2-CZ3 3.39Å; T68-W146 WeakPolarHBondContact OG1-CH2 3.37Å; T68-W146 WeakPolarHBondContact OG1-CZ3 3.43Å
69V71.1Confident71.2Confident27 Ų2752.1 Ų52.116%0.16427%0.273CS..Hα-helixtrans-60-41170.6167.70000110.9Q65 T66 A71 I72 Q77 V80Q65-V69 PolarHBondContact O-N 3.05Å; Q65-V69 VanDerWaalsContact O-N 3.09Å; T66-V69 PolarHBondContact O-N 2.95Å; V69-A71 PolarHBondContact O-N 3.4Å; V69-I72 WeakPolarHBondContact O-CB 3.45Å; V69-I72 PolarHBondContact O-N 3.34Å; V69-I72 VanDerWaalsContact O-N 3.09Å; V69-Q77 HydrophobicContact CG1-CG 4.46Å; V69-Q77 PolarHBondContact O-NE2 3.31Å; V69-V80 HydrophobicContact CG2-CG1 3.97Å
70L76.5Confident69.8Low109 Ų10948.6 Ų48.657%0.57126%0.259SS*.THydrogen-bonded Turntrans-65.2-21.1174.6-67.1175.3000113.2T66 T68 I72T66-L70 HydrophobicContact CG2-CD1 3.95Å; T66-L70 HydrophobicContact CG2-CG 4.36Å; T66-L70 WeakPolarHBondContact O-CB 3.48Å; T66-L70 VanDerWaalsContact O-CG 3.28Å; T66-L70 WeakPolarHBondContact O-CG 3.24Å; T66-L70 PolarHBondContact O-N 3.24Å; T68-L70 PolarHBondContact O-N 3.29Å; L70-I72 VanDerWaalsContact C-N 3.32Å
71A75.9Confident68.5Low5 Ų551.9 Ų51.94%0.04127%0.268CS..THydrogen-bonded Turntrans-84.3-4175.800000114.4K11 L12 W20 K24 T67 T68 V69K11-A71 CarbonylContact C-O 3.58Å; K11-A71 VanDerWaalsContact CA-O 3.23Å; K11-A71 WeakPolarHBondContact CA-O 3.35Å; L12-A71 PolarHBondContact N-O 2.84Å; W20-A71 HydrophobicContact CZ2-CB 3.92Å; W20-A71 PolarHBondContact NE1-O 3.41Å; K24-A71 HydrophobicContact CD-CB 3.53Å; K24-A71 HydrophobicContact CG-CB 4.45Å; T67-A71 PolarHBondContact O-N 2.98Å; T68-A71 WeakPolarHBondContact O-CA 3.43Å; T68-A71 VanDerWaalsContact O-CB 3.24Å; T68-A71 WeakPolarHBondContact O-CB 3.29Å; T68-A71 PolarHBondContact O-N 3.21Å; V69-A71 PolarHBondContact O-N 3.4Å
72I70.1Confident67.3Low4 Ų456.4 Ų56.42%0.02129%0.289CS..BIsolated β-bridgetrans-94.8139.6176.5-64.4169.1000108.1L12 W20 T68 V69 L70 Q76 Q77 V80L12-I72 HydrophobicContact CB-CG1 4.34Å; L12-I72 HydrophobicContact CD2-CG1 4.33Å; W20-I72 HydrophobicContact CZ2-CG1 4.13Å; T68-I72 WeakPolarHBondContact O-CG1 3.5Å; T68-I72 PolarHBondContact O-N 2.97Å; V69-I72 WeakPolarHBondContact O-CB 3.45Å; V69-I72 PolarHBondContact O-N 3.34Å; V69-I72 VanDerWaalsContact O-N 3.09Å; L70-I72 VanDerWaalsContact C-N 3.32Å; I72-Q76 HydrophobicContact CG2-CB 3.53Å; I72-Q77 HydrophobicContact CB-CG 4.07Å; I72-Q77 HydrophobicContact CG2-CG 4.01Å; I72-Q77 PolarHBondContact O-NE2 2.93Å; I72-V80 HydrophobicContact CD1-CG2 4.3Å
73E69Low66Low78 Ų7853 Ų5336%0.36428%0.277SS..  trans-55132.6175-167.661.6-14500110K11 S75 Q76 Q77K11-E73 HydrophobicContact CB-CB 4.43Å; K11-E73 WeakPolarHBondContact CB-OE2 3.41Å; K11-E73 WeakPolarHBondContact CD-OE2 3.5Å; E73-S75 WeakPolarHBondContact CG-OG 3.19Å; E73-S75 PolarHBondContact O-N 2.93Å; E73-Q76 HydrophobicContact CB-CG 4.14Å; E73-Q76 WeakPolarHBondContact O-CA 3.39Å; E73-Q76 WeakPolarHBondContact O-CB 3.38Å; E73-Q76 PolarHBondContact O-N 3.08Å; E73-Q77 PolarHBondContact O-N 3.49Å; E73-Q77 VanDerWaalsContact O-N 3.09Å
74P74.9Confident64.5Low57 Ų5756.8 Ų56.837%0.3729%0.293SS..Hα-helixtrans-54.7-31.2-175.2-29.536.9000114.7Q76 Q77P74-Q76 PolarHBondContact O-N 3.09Å; P74-Q77 WeakPolarHBondContact O-CB 3.44Å; P74-Q77 PolarHBondContact O-N 3.21Å
75S66.1Low62.9Low68 Ų6861.8 Ų61.848%0.47632%0.32SS..Hα-helixtrans-63.1-28.3173.960.20000113.1E73E73-S75 WeakPolarHBondContact CG-OG 3.19Å; E73-S75 PolarHBondContact O-N 2.93Å
76Q63.3Low61.6Low50 Ų5061.1 Ų61.123%0.23432%0.324CS..Hα-helixtrans-90-23.2176.2-57.2-59.5-52.900111.7I72 E73 P74 Q78 H79 L160I72-Q76 HydrophobicContact CG2-CB 3.53Å; E73-Q76 HydrophobicContact CB-CG 4.14Å; E73-Q76 WeakPolarHBondContact O-CA 3.39Å; E73-Q76 WeakPolarHBondContact O-CB 3.38Å; E73-Q76 PolarHBondContact O-N 3.08Å; P74-Q76 PolarHBondContact O-N 3.09Å; Q76-Q78 VanDerWaalsContact C-N 3.28Å; Q76-Q78 PolarHBondContact O-N 2.91Å; Q76-H79 WeakPolarHBondContact O-CB 3.3Å; Q76-H79 PolarHBondContact O-N 3.33Å; Q76-L160 HydrophobicContact CB-CD2 3.97Å; Q76-L160 WeakPolarHBondContact O-CD2 3.03Å
77Q64.8Low59.8Low25 Ų2566.8 Ų66.812%0.11735%0.346CS..Hα-helixtrans-66.2-23.9-179.6-68.417910.600114.3V69 I72 E73 P74 H79 V80 R81V69-Q77 HydrophobicContact CG1-CG 4.46Å; V69-Q77 PolarHBondContact O-NE2 3.31Å; I72-Q77 HydrophobicContact CB-CG 4.07Å; I72-Q77 HydrophobicContact CG2-CG 4.01Å; I72-Q77 PolarHBondContact O-NE2 2.93Å; E73-Q77 PolarHBondContact O-N 3.49Å; E73-Q77 VanDerWaalsContact O-N 3.09Å; P74-Q77 WeakPolarHBondContact O-CB 3.44Å; P74-Q77 PolarHBondContact O-N 3.21Å; Q77-H79 PolarHBondContact O-N 3.05Å; Q77-H79 VanDerWaalsContact O-N 3.14Å; Q77-V80 WeakPolarHBondContact O-CA 3.23Å; Q77-V80 WeakPolarHBondContact O-CB 3Å; Q77-V80 PolarHBondContact O-N 3.47Å; Q77-R81 PolarHBondContact O-N 3.15Å
78Q57.4Low58.1Low86 Ų8671.4 Ų71.440%0.40237%0.37SS..Hα-helixtrans-52.7-36.417670.2-175.42.600111.1Q76 V80 R81 D82Q76-Q78 VanDerWaalsContact C-N 3.28Å; Q76-Q78 PolarHBondContact O-N 2.91Å; Q78-V80 PolarHBondContact O-N 3.46Å; Q78-R81 PolarHBondContact O-N 2.6Å; Q78-D82 VanDerWaalsContact O-CG 3.29Å; Q78-D82 PolarHBondContact O-N 3.24Å
79H52.7Low56.6Low37 Ų3773.9 Ų73.917%0.17139%0.385CS..Hα-helixtrans-72.6-16.6179.9-56.3-49.4000113.8Q76 Q77 C83 K159 L160Q76-H79 WeakPolarHBondContact O-CB 3.3Å; Q76-H79 PolarHBondContact O-N 3.33Å; Q77-H79 PolarHBondContact O-N 3.05Å; Q77-H79 VanDerWaalsContact O-N 3.14Å; H79-C83 PolarHBondContact O-SG 3.01Å; H79-K159 HydrophobicContact CB-CB 3.71Å; H79-K159 PolarHBondContact CD2-O 3.04Å; H79-K159 PolarHBondContact NE2-O 3.39Å; H79-L160 HydrophobicContact CB-CD2 4.04Å; H79-L160 HydrophobicContact CB-CG 4.28Å
80V54.7Low55.4Low28 Ų2874.1 Ų74.117%0.1739%0.386CS..Hα-helixtrans-91.6-35.5172.3-174.50000110.9V69 I72 Q77 Q78 L160V69-V80 HydrophobicContact CG2-CG1 3.97Å; I72-V80 HydrophobicContact CD1-CG2 4.3Å; Q77-V80 WeakPolarHBondContact O-CA 3.23Å; Q77-V80 WeakPolarHBondContact O-CB 3Å; Q77-V80 PolarHBondContact O-N 3.47Å; Q78-V80 PolarHBondContact O-N 3.46Å; V80-L160 HydrophobicContact CG2-CD1 4.31Å; V80-L160 HydrophobicContact CG2-CD2 4.25Å
81R53.7Low54.3Low144 Ų14479.4 Ų79.454%0.54341%0.405SS..Hα-helixtrans-71.1-43-179.6-72-168.3-65.3-93.9-1112.8Q77 Q78 C83Q77-R81 PolarHBondContact O-N 3.15Å; Q78-R81 PolarHBondContact O-N 2.6Å; R81-C83 PolarHBondContact O-N 2.74Å
82D49.2Very low53.8Low111 Ų11183.3 Ų83.359%0.59443%0.425SS*.SBendtrans-866.2-172.6-53.7-22.6000113Q78 E84Q78-D82 VanDerWaalsContact O-CG 3.29Å; Q78-D82 PolarHBondContact O-N 3.24Å; D82-E84 VanDerWaalsContact C-N 3.26Å; D82-E84 PolarHBondContact O-N 3.39Å
83C47.8Very low53.5Low37 Ų3786.2 Ų86.225%0.2544%0.439CS..  trans-8175.7171.2-78.70000109H79 R81 C156H79-C83 PolarHBondContact O-SG 3.01Å; R81-C83 PolarHBondContact O-N 2.74Å; C83-C156 HydrophobicContact CB-CB 4.49Å; C83-C156 WeakPolarHBondContact CB-SG 3.5Å; C83-C156 WeakPolarHBondContact SG-CB 3.14Å; C83-C156 CovalentContact SG-SG 2.06Å; C83-C156 PolarHBondContact SG-SG 2.87Å
84E43.9Very low53.6Low173 Ų17387 Ų8781%0.80844%0.442SS*.SBendtrans-71.2-27.1-179.7-78.2-172.1156.700113.1D82D82-E84 VanDerWaalsContact C-N 3.26Å; D82-E84 PolarHBondContact O-N 3.39Å
85N39.7Very low53.3Low105 Ų10586.9 Ų86.956%0.56145%0.446SS*.  trans-155.2133.9169-71.3-49.4000109.6Q87 D88N85-Q87 PolarHBondContact O-N 2.94Å; N85-D88 PolarHBondContact O-N 3.04Å
86A38.9Very low53.3Low44 Ų4483.6 Ų83.636%0.36442%0.423SS..G310 helixtrans-52.3-26.9176.500000113.7D153A86-D153 HydrophobicContact CB-CB 3.8Å
87Q36.2Very low53.6Low178 Ų17881.3 Ų81.383%0.83241%0.413SS*.G310 helixtrans-79.4-22.6-169.9-67.7-178.7-16.100115N85N85-Q87 PolarHBondContact O-N 2.94Å
88D40.1Very low54.1Low133 Ų13385.8 Ų85.871%0.71143%0.431SS*.G310 helixtrans-94.31.5-165.4-69.8-37.5000115N85N85-D88 PolarHBondContact O-N 3.04Å
89T42Very low54.5Low52 Ų5284.9 Ų84.932%0.31943%0.426SS..SBendtrans-125.8-16.2-166.8-24.40000117.1H155T89-H155 WeakPolarHBondContact CB-ND1 3.41Å; T89-H155 WeakPolarHBondContact CG2-CE1 3.44Å; T89-H155 WeakPolarHBondContact CG2-ND1 3.41Å; T89-H155 PolarHBondContact O-CD2 3.16Å; T89-H155 PolarHBondContact O-CE1 3.24Å; T89-H155 PolarHBondContact O-ND1 3.41Å; T89-H155 PolarHBondContact O-NE2 2.75Å
90V46.4Very low55.4Low32 Ų3283.1 Ų83.119%0.19442%0.418CS..  trans-107.3128.1167-144.90000110.3D92 A96 D153 H155V90-D92 WeakPolarHBondContact CG1-O 3.45Å; V90-A96 HydrophobicContact CG1-CB 4.08Å; V90-D153 WeakPolarHBondContact CG2-OD1 3.36Å; V90-H155 HydrophobicContact CB-CB 4.38Å; V90-H155 HydrophobicContact CG2-CB 3.22Å
91K53.2Low56.3Low221 Ų22183.9 Ų83.996%0.96142%0.418SS*.SBendtrans-73.3-21.1165.6-66.2-173.9178.7-176.80112.7
92D65.3Low57.1Low87 Ų8782.4 Ų82.447%0.46542%0.421SS..  trans-154.796.8-175.3-176.48.2000111.4V90 E94 A95V90-D92 WeakPolarHBondContact CG1-O 3.45Å; D92-E94 PolarHBondContact O-N 2.86Å; D92-E94 VanDerWaalsContact O-N 3.12Å; D92-E94 VanDerWaalsContact OD1-CB 3.29Å; D92-E94 WeakPolarHBondContact OD1-CB 3.27Å; D92-E94 PolarHBondContact OD1-N 2.93Å; D92-E94 VanDerWaalsContact OD1-N 3.17Å; D92-A95 HydrophobicContact CB-CB 4.46Å; D92-A95 PolarHBondContact O-N 3.38Å; D92-A95 VanDerWaalsContact O-N 3.15Å
93E65.3Low57.9Low65 Ų6581.9 Ų81.930%0.30441%0.413SS..Hα-helixtrans-53.5-30.5179.2-166.2-170.6177.300111.2A95 A96 V97 M126 R142 A154E93-A95 PolarHBondContact O-N 3.1Å; E93-A96 PolarHBondContact O-N 2.81Å; E93-V97 WeakPolarHBondContact O-CB 3.3Å; E93-V97 WeakPolarHBondContact O-CG2 2.88Å; E93-V97 PolarHBondContact O-N 3.48Å; E93-M126 HydrophobicContact CB-CE 3.42Å; E93-M126 VanDerWaalsContact CB-CE 3.42Å; E93-M126 VanDerWaalsContact CD-SD 3.5Å; E93-M126 HydrophobicContact CG-CE 3.32Å; E93-M126 HydrophobicContact CG-SD 3.83Å; E93-M126 WeakPolarHBondContact O-CE 3.28Å; E93-R142 IonicContact OE1-CZ 3.93Å; E93-R142 IonicContact OE1-NH2 3.04Å; E93-R142 PolarHBondContact OE1-NH2 3.29Å; E93-A154 HydrophobicContact CG-CB 4.49Å
94E70.1Confident58.8Low94 Ų9486.1 Ų86.144%0.43943%0.43SS..Hα-helixtrans-63.4-41.2-179-174.8171.1-177.500112D92 V97 K98 M126D92-E94 PolarHBondContact O-N 2.86Å; D92-E94 VanDerWaalsContact O-N 3.12Å; D92-E94 VanDerWaalsContact OD1-CB 3.29Å; D92-E94 WeakPolarHBondContact OD1-CB 3.27Å; D92-E94 PolarHBondContact OD1-N 2.93Å; D92-E94 VanDerWaalsContact OD1-N 3.17Å; E94-V97 PolarHBondContact O-N 3.08Å; E94-K98 WeakPolarHBondContact O-CB 3.12Å; E94-K98 PolarHBondContact O-N 3.46Å; E94-M126 HydrophobicContact CB-CE 4.28Å; E94-M126 VanDerWaalsContact N-CE 3.31Å
95A68.6Low59.8Low54 Ų5479.2 Ų79.245%0.44640%0.398SS..Hα-helixtrans-64.8-41177.200000111.7D92 E93 K98 F99D92-A95 HydrophobicContact CB-CB 4.46Å; D92-A95 PolarHBondContact O-N 3.38Å; D92-A95 VanDerWaalsContact O-N 3.15Å; E93-A95 PolarHBondContact O-N 3.1Å; A95-K98 PolarHBondContact O-N 3.4Å; A95-F99 PolarHBondContact O-N 2.81Å
96A66.2Low61.4Low0 Ų074.4 Ų74.40%037%0.372CS..Hα-helixtrans-63.5-48.917700000110.6V90 E93 K98 F99 L100 A154 L158V90-A96 HydrophobicContact CG1-CB 4.08Å; E93-A96 PolarHBondContact O-N 2.81Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 2.83Å; A96-F99 PolarHBondContact O-N 2.82Å; A96-L100 WeakPolarHBondContact O-CG 3.22Å; A96-L100 PolarHBondContact O-N 2.86Å; A96-A154 HydrophobicContact CB-CB 3.54Å; A96-L158 HydrophobicContact CB-CD1 3.91Å; A96-L158 HydrophobicContact CB-CD2 4.43Å; A96-L158 HydrophobicContact CB-CG 4.01Å
97V70.4Confident63Low2 Ų275.2 Ų75.21%0.01237%0.368CS..Hα-helixtrans-59.4-42.7176.6165.80000112.2E93 E94 L100 R101 L106 G125 M126 I141 A154E93-V97 WeakPolarHBondContact O-CB 3.3Å; E93-V97 WeakPolarHBondContact O-CG2 2.88Å; E93-V97 PolarHBondContact O-N 3.48Å; E94-V97 PolarHBondContact O-N 3.08Å; V97-L100 PolarHBondContact O-N 3.1Å; V97-R101 VanDerWaalsContact CG1-NH1 3.33Å; V97-R101 PolarHBondContact O-N 2.93Å; V97-L106 HydrophobicContact CB-CD1 4.29Å; V97-L106 HydrophobicContact CG1-CD1 3.92Å; V97-L106 HydrophobicContact CG2-CD1 4.23Å; V97-G125 WeakPolarHBondContact CG1-O 3.44Å; V97-M126 HydrophobicContact CB-CE 4.39Å; V97-M126 HydrophobicContact CG2-CE 3.89Å; V97-M126 HydrophobicContact CG2-SD 3.73Å; V97-I141 HydrophobicContact CG1-CD1 3.32Å; V97-I141 HydrophobicContact CG1-CG1 4.39Å; V97-I141 HydrophobicContact CG1-CG2 4.38Å; V97-I141 HydrophobicContact CG2-CG2 4.3Å; V97-A154 HydrophobicContact CG2-CB 3.69Å
98K73.7Confident64.8Low118 Ų11870.3 Ų70.351%0.51335%0.354SS..Hα-helixtrans-59.1-50.8176.4-176.6-172.9174.1-162.30111.3E94 A95 A96 L100 R101 D102E94-K98 WeakPolarHBondContact O-CB 3.12Å; E94-K98 PolarHBondContact O-N 3.46Å; A95-K98 PolarHBondContact O-N 3.4Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 2.83Å; K98-L100 PolarHBondContact O-N 3.28Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 2.77Å; K98-R101 VanDerWaalsContact O-N 3.12Å; K98-D102 VanDerWaalsContact O-CG 3.31Å; K98-D102 PolarHBondContact O-N 3.39Å
99F65.9Low66.7Low67 Ų6772.1 Ų72.129%0.29436%0.358SS..Hα-helixtrans-57.1-41.4177.7174.8-83000111.7A95 A96 R101 D102 K103 L158 S161A95-F99 PolarHBondContact O-N 2.81Å; A96-F99 PolarHBondContact O-N 2.82Å; F99-R101 VanDerWaalsContact C-N 3.31Å; F99-R101 PolarHBondContact O-N 3.06Å; F99-D102 CarbonylContact O-C 3.55Å; F99-D102 WeakPolarHBondContact O-CB 3.4Å; F99-D102 PolarHBondContact O-N 3.2Å; F99-D102 VanDerWaalsContact O-N 3.16Å; F99-K103 HydrophobicContact CD1-CG 3.88Å; F99-K103 HydrophobicContact CE1-CD 4.44Å; F99-K103 HydrophobicContact CE1-CG 3.59Å; F99-K103 HydrophobicContact CE2-CG 4.47Å; F99-K103 HydrophobicContact CG-CG 4.49Å; F99-K103 HydrophobicContact CZ-CD 4.31Å; F99-K103 VanDerWaalsContact CZ-CE 3.41Å; F99-K103 HydrophobicContact CZ-CG 3.93Å; F99-K103 VanDerWaalsContact O-CG 3.29Å; F99-K103 WeakPolarHBondContact O-CG 3.29Å; F99-K103 PolarHBondContact O-N 3.25Å; F99-L158 HydrophobicContact CB-CD2 3.45Å; F99-L158 VanDerWaalsContact CB-CD2 3.45Å; F99-L158 HydrophobicContact CD1-CD2 3.01Å; F99-L158 HydrophobicContact CD1-CG 4.43Å; F99-L158 HydrophobicContact CD2-CD2 4.04Å; F99-L158 HydrophobicContact CE1-CD2 3.6Å; F99-L158 HydrophobicContact CG-CD2 3.23Å; F99-L158 HydrophobicContact CZ-CD2 4.32Å; F99-S161 VanDerWaalsContact CE1-CB 3.47Å; F99-S161 WeakPolarHBondContact CE1-OG 3.49Å; F99-S161 WeakPolarHBondContact CZ-OG 3.38Å
100L72.1Confident68.7Low0 Ų071.5 Ų71.50%035%0.35CS..Hα-helixtrans-67.8-31179.8-65168.1000113.2A96 V97 K98 E104 L105 L106 A154 L157A96-L100 WeakPolarHBondContact O-CG 3.22Å; A96-L100 PolarHBondContact O-N 2.86Å; V97-L100 PolarHBondContact O-N 3.1Å; K98-L100 PolarHBondContact O-N 3.28Å; L100-E104 PolarHBondContact O-N 3.34Å; L100-L105 HydrophobicContact CB-CB 4.36Å; L100-L105 HydrophobicContact CD2-CB 4.22Å; L100-L105 HydrophobicContact CD2-CD1 3.7Å; L100-L105 WeakPolarHBondContact O-CA 3.44Å; L100-L105 WeakPolarHBondContact O-CB 3.34Å; L100-L105 PolarHBondContact O-N 3.47Å; L100-L106 HydrophobicContact CB-CB 4.23Å; L100-L106 HydrophobicContact CB-CD1 3.65Å; L100-L106 HydrophobicContact CB-CG 3.75Å; L100-L106 HydrophobicContact CD1-CD1 3.78Å; L100-L106 HydrophobicContact CD1-CG 4.25Å; L100-L106 HydrophobicContact CG-CD1 4.42Å; L100-L106 PolarHBondContact O-N 3.32Å; L100-L106 VanDerWaalsContact O-N 3.08Å; L100-A154 HydrophobicContact CD1-CB 3.77Å; L100-L157 HydrophobicContact CD1-CB 3.64Å; L100-L157 HydrophobicContact CD1-CD1 3.41Å; L100-L157 VanDerWaalsContact CD1-CD1 3.41Å; L100-L157 HydrophobicContact CD1-CG 4.09Å; L100-L157 HydrophobicContact CD2-CB 3.28Å; L100-L157 HydrophobicContact CD2-CD1 4.35Å; L100-L157 HydrophobicContact CD2-CG 4.43Å; L100-L157 HydrophobicContact CG-CB 4.02Å; L100-L157 HydrophobicContact CG-CD1 4.47Å
101R74.6Confident70.6Confident44 Ų4475.5 Ų75.517%0.16637%0.369CS..Hα-helixtrans-69.2-42.4169.1-67.6-168.6-52.5-101.1-0.8111.4V97 K98 F99 K103 E104 L106 H107 S108 I141V97-R101 VanDerWaalsContact CG1-NH1 3.33Å; V97-R101 PolarHBondContact O-N 2.93Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 2.77Å; K98-R101 VanDerWaalsContact O-N 3.12Å; F99-R101 VanDerWaalsContact C-N 3.31Å; F99-R101 PolarHBondContact O-N 3.06Å; R101-K103 PolarHBondContact O-N 2.73Å; R101-E104 WeakPolarHBondContact O-CA 3.4Å; R101-E104 PolarHBondContact O-N 2.91Å; R101-L106 HydrophobicContact CG-CB 3.8Å; R101-H107 WeakPolarHBondContact CD-O 3.39Å; R101-S108 PolarHBondContact O-OG 2.82Å; R101-I141 HydrophobicContact CG-CD1 4.38Å
102D69.2Low72Confident113 Ų11365.1 Ų65.160%0.60432%0.324SS*.Hα-helixtrans-62.6-24.7176.9-64.1-12.1000111.8K98 F99K98-D102 VanDerWaalsContact O-CG 3.31Å; K98-D102 PolarHBondContact O-N 3.39Å; F99-D102 CarbonylContact O-C 3.55Å; F99-D102 WeakPolarHBondContact O-CB 3.4Å; F99-D102 PolarHBondContact O-N 3.2Å; F99-D102 VanDerWaalsContact O-N 3.16Å
103K66.7Low72.8Confident101 Ų10165.2 Ų65.244%0.43933%0.33SS..THydrogen-bonded Turntrans-92.74172.7-63.4-61.9-175.6176.40114.2F99 R101 L105F99-K103 HydrophobicContact CD1-CG 3.88Å; F99-K103 HydrophobicContact CE1-CD 4.44Å; F99-K103 HydrophobicContact CE1-CG 3.59Å; F99-K103 HydrophobicContact CE2-CG 4.47Å; F99-K103 HydrophobicContact CG-CG 4.49Å; F99-K103 HydrophobicContact CZ-CD 4.31Å; F99-K103 VanDerWaalsContact CZ-CE 3.41Å; F99-K103 HydrophobicContact CZ-CG 3.93Å; F99-K103 VanDerWaalsContact O-CG 3.29Å; F99-K103 WeakPolarHBondContact O-CG 3.29Å; F99-K103 PolarHBondContact O-N 3.25Å; R101-K103 PolarHBondContact O-N 2.73Å; K103-L105 HydrophobicContact CB-CD1 4.05Å; K103-L105 HydrophobicContact CB-CG 3.97Å; K103-L105 PolarHBondContact O-N 2.72Å
104E66.7Low73.7Confident126 Ų12667.6 Ų67.659%0.58934%0.339SS*.THydrogen-bonded Turntrans58.717.6-177.4-53.9-178.4167.800114.5H18 L100 R101H18-E104 IonicContact NE2-OE2 3.82Å; L100-E104 PolarHBondContact O-N 3.34Å; R101-E104 WeakPolarHBondContact O-CA 3.4Å; R101-E104 PolarHBondContact O-N 2.91Å
105L64.3Low74.7Confident27 Ų2765 Ų6514%0.14133%0.331CS..SBendtrans-78.4-36.7176-64.4177000110.8Y17 L100 K103 F147Y17-L105 HydrophobicContact CD1-CD2 3.78Å; Y17-L105 HydrophobicContact CD2-CD2 3.59Å; Y17-L105 HydrophobicContact CE1-CD2 3.67Å; Y17-L105 HydrophobicContact CE2-CD2 3.5Å; Y17-L105 HydrophobicContact CG-CD2 3.73Å; Y17-L105 PolarHBondContact OH-O 3.28Å; L100-L105 HydrophobicContact CB-CB 4.36Å; L100-L105 HydrophobicContact CD2-CB 4.22Å; L100-L105 HydrophobicContact CD2-CD1 3.7Å; L100-L105 WeakPolarHBondContact O-CA 3.44Å; L100-L105 WeakPolarHBondContact O-CB 3.34Å; L100-L105 PolarHBondContact O-N 3.47Å; K103-L105 HydrophobicContact CB-CD1 4.05Å; K103-L105 HydrophobicContact CB-CG 3.97Å; K103-L105 PolarHBondContact O-N 2.72Å; L105-F147 HydrophobicContact CB-CE2 4.49Å; L105-F147 HydrophobicContact CB-CZ 4.29Å; L105-F147 WeakPolarHBondContact O-CE2 3.32Å
106L72.5Confident75.6Confident4 Ų464.7 Ų64.72%0.02133%0.333CS..SBendtrans-101150.9165.9-71.5175.8000109.7V97 L100 R101 S108 I141 T145 F147V97-L106 HydrophobicContact CB-CD1 4.29Å; V97-L106 HydrophobicContact CG1-CD1 3.92Å; V97-L106 HydrophobicContact CG2-CD1 4.23Å; L100-L106 HydrophobicContact CB-CB 4.23Å; L100-L106 HydrophobicContact CB-CD1 3.65Å; L100-L106 HydrophobicContact CB-CG 3.75Å; L100-L106 HydrophobicContact CD1-CD1 3.78Å; L100-L106 HydrophobicContact CD1-CG 4.25Å; L100-L106 HydrophobicContact CG-CD1 4.42Å; L100-L106 PolarHBondContact O-N 3.32Å; L100-L106 VanDerWaalsContact O-N 3.08Å; R101-L106 HydrophobicContact CG-CB 3.8Å; L106-S108 PolarHBondContact O-N 2.9Å; L106-I141 HydrophobicContact CB-CG1 4.5Å; L106-I141 HydrophobicContact CD1-CD1 4.03Å; L106-I141 HydrophobicContact CD1-CG1 4.03Å; L106-I141 HydrophobicContact CD2-CG1 4.25Å; L106-T145 HydrophobicContact CD2-CG2 4.09Å; L106-F147 HydrophobicContact CD2-CD2 3.41Å; L106-F147 VanDerWaalsContact CD2-CD2 3.41Å; L106-F147 HydrophobicContact CD2-CE2 3.61Å; L106-F147 HydrophobicContact CG-CD2 4.29Å; L106-F147 HydrophobicContact CG-CE2 4.07Å
107H73Confident76.7Confident62 Ų6270.4 Ų70.429%0.28736%0.358SS..  trans-57.8131.5174.8-6297.7000110.3R101 W128 T145R101-H107 WeakPolarHBondContact CD-O 3.39Å; H107-W128 HydrophobicContact CB-CZ2 4.21Å; H107-W128 VanDerWaalsContact O-CZ2 3.29Å; H107-W128 WeakPolarHBondContact O-CZ2 3.27Å; H107-T145 VanDerWaalsContact CE1-CG2 3.47Å; H107-T145 WeakPolarHBondContact CE1-CG2 3.23Å; H107-T145 WeakPolarHBondContact ND1-CG2 3.26Å
108S74.7Confident77.6Confident74 Ų7473.2 Ų73.252%0.51738%0.382SS..SBendtrans-87.4-23.7168.6-62.40000112R101 L106 W128R101-S108 PolarHBondContact O-OG 2.82Å; L106-S108 PolarHBondContact O-N 2.9Å; S108-W128 WeakPolarHBondContact O-CH2 3.07Å
109E80.8Confident78.4Confident171 Ų17168.1 Ų68.180%0.79936%0.36SS*.SBendtrans-138.7147.7175.2-63.2-174.7177.400109.6
110R83.1Confident79.5Confident39 Ų3973.7 Ų73.715%0.14738%0.379CS..  trans-146.5140.9-179.4-168.4175-174.4157.38.2112.2M119 W128 F140 M143R110-M119 HydrophobicContact CG-SD 4.3Å; R110-M119 PolarHBondContact O-N 3.4Å; R110-W128 HydrophobicContact CB-CD2 3.69Å; R110-W128 HydrophobicContact CB-CE3 3.82Å; R110-W128 HydrophobicContact CB-CG 4.21Å; R110-W128 HydrophobicContact CB-CH2 4.27Å; R110-W128 HydrophobicContact CB-CZ2 4.16Å; R110-W128 HydrophobicContact CB-CZ3 4.1Å; R110-W128 HydrophobicContact CG-CD2 4.46Å; R110-F140 PolarHBondContact NH1-O 3.45Å; R110-M143 PolarHBondContact NH1-O 2.83Å; R110-M143 PolarHBondContact NH2-O 2.95Å
111L85.2Confident80.2Confident117 Ų11776.5 Ų76.561%0.61339%0.394SS*.BIsolated β-bridgetrans-94.3142.5168.4-59.3-178.5000110.8A118L111-A118 HydrophobicContact CD2-CB 4.46Å
112C83.3Confident80.5Confident2 Ų275.5 Ų75.51%0.01440%0.397CS..  trans-66.1123.1173177.20000109.3F114 C115 G116 K117 M119 C130 C135C112-F114 PolarHBondContact O-N 3.12Å; C112-F114 VanDerWaalsContact O-N 3.1Å; C112-F114 PolarHBondContact SG-N 2.79Å; C112-C115 PolarHBondContact O-N 2.82Å; C112-G116 VanDerWaalsContact O-CA 3.3Å; C112-G116 WeakPolarHBondContact O-CA 3.49Å; C112-G116 PolarHBondContact O-N 3.42Å; C112-K117 WeakPolarHBondContact CB-O 3.46Å; C112-K117 PolarHBondContact N-O 3.48Å; C112-M119 VanDerWaalsContact CA-SD 3.57Å; C112-M119 HydrophobicContact CB-CG 3.82Å; C112-M119 HydrophobicContact CB-SD 4.02Å; C112-C130 HydrophobicContact CB-CB 4.26Å; C112-C135 VanDerWaalsContact SG-SG 3.61Å
113P81.4Confident80.6Confident89 Ų8982.4 Ų82.458%0.57841%0.414SS*.THydrogen-bonded Turntrans-65.7-17.3-178.925.1-31000112.7L139P113-L139 HydrophobicContact CG-CD1 3.87Å
114F85.6Confident80.7Confident116 Ų11679 Ų7951%0.50941%0.408SS..THydrogen-bonded Turntrans-94.3-29.5-177.6-61.9-84.9000114.2C112 R137C112-F114 PolarHBondContact O-N 3.12Å; C112-F114 VanDerWaalsContact O-N 3.1Å; C112-F114 PolarHBondContact SG-N 2.79Å; F114-R137 VanDerWaalsContact CD1-CZ 3.46Å; F114-R137 HydrophobicContact CD2-CG 4.44Å; F114-R137 VanDerWaalsContact CE2-CD 3.41Å; F114-R137 VanDerWaalsContact CG-CD 3.48Å
115C90.6Very high81.1Confident38 Ų3873.1 Ų73.126%0.25738%0.381SS..THydrogen-bonded Turntrans-133.72.2-175.577.60000114.5C112 K117 C130 K132C112-C115 PolarHBondContact O-N 2.82Å; C115-K117 PolarHBondContact O-N 3.08Å; C115-K117 VanDerWaalsContact O-N 3.08Å; C115-C130 PolarHBondContact SG-SG 3.45Å; C115-K132 HydrophobicContact CB-CD 4.01Å
116G88.6Confident81.6Confident48 Ų4874 Ų7450%0.49539%0.385SS..  trans66.46.9177.700000115.5C112C112-G116 VanDerWaalsContact O-CA 3.3Å; C112-G116 WeakPolarHBondContact O-CA 3.49Å; C112-G116 PolarHBondContact O-N 3.42Å
117K89.1Confident82.1Confident120 Ų12074 Ų7452%0.52239%0.386SS..PPolyproline II helixtrans-85.9147.4-179.4-68.3-65-177-176.40111C112 C115 M119 K132C112-K117 WeakPolarHBondContact CB-O 3.46Å; C112-K117 PolarHBondContact N-O 3.48Å; C115-K117 PolarHBondContact O-N 3.08Å; C115-K117 VanDerWaalsContact O-N 3.08Å; K117-M119 PolarHBondContact O-N 3.07Å; K117-K132 HydrophobicContact CG-CB 4.49Å
118A88.2Confident82.7Confident62 Ų6271.5 Ų71.551%0.51237%0.374SS..BIsolated β-bridgetrans-55.6128.1172.800000110.6L111 S131L111-A118 HydrophobicContact CD2-CB 4.46Å; A118-S131 PolarHBondContact O-OG 2.96Å
119M91.1Very high83.4Confident11 Ų1170 Ų705%0.05436%0.364CS..EExtended strand (participates in β ladder)trans-88.6149.4174.9-58.2-172.779.500109.3R110 C112 K117 W128 C129 C130 L139R110-M119 HydrophobicContact CG-SD 4.3Å; R110-M119 PolarHBondContact O-N 3.4Å; C112-M119 VanDerWaalsContact CA-SD 3.57Å; C112-M119 HydrophobicContact CB-CG 3.82Å; C112-M119 HydrophobicContact CB-SD 4.02Å; K117-M119 PolarHBondContact O-N 3.07Å; M119-W128 HydrophobicContact CB-CB 4.02Å; M119-W128 HydrophobicContact CB-CD2 4.42Å; M119-W128 HydrophobicContact CB-CE3 3.74Å; M119-W128 VanDerWaalsContact CE-C 3.47Å; M119-W128 HydrophobicContact CE-CB 3.68Å; M119-W128 WeakPolarHBondContact CE-O 3.42Å; M119-W128 HydrophobicContact SD-CB 3.84Å; M119-C129 CarbonylContact C-O 3.58Å; M119-C129 WeakPolarHBondContact CA-O 3.48Å; M119-C130 HydrophobicContact CE-CB 4.12Å; M119-L139 HydrophobicContact CE-CB 4.43Å; M119-L139 HydrophobicContact CE-CD1 3.86Å; M119-L139 HydrophobicContact CE-CG 3.84Å; M119-L139 HydrophobicContact SD-CD1 3.59Å; M119-L139 VanDerWaalsContact SD-CD1 3.59Å; M119-L139 HydrophobicContact SD-CG 4.25Å
120R89.1Confident83.9Confident184 Ų18462.2 Ų62.269%0.69433%0.328SS*.EExtended strand (participates in β ladder)trans-102.3147.2173.2-65-179.2-178.7-177.1-1.3108.7G122 W128 C129R120-G122 PolarHBondContact O-N 3.18Å; R120-W128 CarbonylContact O-C 3.57Å; R120-W128 WeakPolarHBondContact O-CA 3.48Å; R120-C129 PolarHBondContact N-O 3.36Å; R120-C129 PolarHBondContact O-N 3.4Å
121L86.2Confident84Confident59 Ų5963.2 Ų63.231%0.30934%0.34SS..EExtended strand (participates in β ladder)trans-73.4127.6171.2-160.673.3000109.5G125 W128 I141L121-G125 VanDerWaalsContact CD2-CA 3.49Å; L121-W128 HydrophobicContact CD1-CD2 4.21Å; L121-W128 HydrophobicContact CD1-CE3 4.46Å; L121-W128 HydrophobicContact CD1-CH2 4.38Å; L121-W128 HydrophobicContact CD1-CZ2 4.1Å; L121-I141 HydrophobicContact CD1-CD1 3.87Å
122G81.2Confident84.2Confident22 Ų2262 Ų6223%0.22733%0.33CS..  trans-69.1174.6177.500000112.5R120 G125 A127R120-G122 PolarHBondContact O-N 3.18Å; G122-G125 PolarHBondContact O-N 2.88Å; G122-G125 VanDerWaalsContact O-N 3.11Å; G122-A127 PolarHBondContact N-O 3.44Å
123R71Confident84.4Confident258 Ų25872.5 Ų72.597%0.97437%0.37SS*.G310 helixtrans-60.2138.3174.2-75.3-171.7-118.3-117.32110.3G125R123-G125 PolarHBondContact O-N 2.98Å
124G69.5Low84.8Confident30 Ų3072.8 Ų72.831%0.30937%0.374SS..G310 helixtrans77.7-1.9-175.800000114.3M126G124-M126 WeakPolarHBondContact O-CE 3.26Å; G124-M126 PolarHBondContact O-N 2.68Å
125G74.7Confident85Confident3 Ų368.4 Ų68.43%0.03136%0.357CS..G310 helixtrans73.67.2173.100000116V97 L121 G122 R123 I141V97-G125 WeakPolarHBondContact CG1-O 3.44Å; L121-G125 VanDerWaalsContact CD2-CA 3.49Å; G122-G125 PolarHBondContact O-N 2.88Å; G122-G125 VanDerWaalsContact O-N 3.11Å; R123-G125 PolarHBondContact O-N 2.98Å; G125-I141 VanDerWaalsContact O-CD1 3.26Å; G125-I141 WeakPolarHBondContact O-CD1 3.12Å
126M74.3Confident84.7Confident44 Ų4473.3 Ų73.322%0.21738%0.376CS..  trans-91-14.7-170.9-64.1-54159.300115.2E93 E94 V97 G124 I141E93-M126 HydrophobicContact CB-CE 3.42Å; E93-M126 VanDerWaalsContact CB-CE 3.42Å; E93-M126 VanDerWaalsContact CD-SD 3.5Å; E93-M126 HydrophobicContact CG-CE 3.32Å; E93-M126 HydrophobicContact CG-SD 3.83Å; E93-M126 WeakPolarHBondContact O-CE 3.28Å; E94-M126 HydrophobicContact CB-CE 4.28Å; E94-M126 VanDerWaalsContact N-CE 3.31Å; V97-M126 HydrophobicContact CB-CE 4.39Å; V97-M126 HydrophobicContact CG2-CE 3.89Å; V97-M126 HydrophobicContact CG2-SD 3.73Å; G124-M126 WeakPolarHBondContact O-CE 3.26Å; G124-M126 PolarHBondContact O-N 2.68Å; M126-I141 WeakPolarHBondContact O-CB 3.28Å; M126-I141 WeakPolarHBondContact O-CG2 3.46Å; M126-I141 PolarHBondContact O-N 2.93Å
127A83.6Confident84.5Confident6 Ų676.7 Ų76.75%0.0537%0.374CS..EExtended strand (participates in β ladder)trans-142.3147.4-175.200000112.2G122 E138 L139G122-A127 PolarHBondContact N-O 3.44Å; A127-E138 HydrophobicContact CB-CG 3.57Å; A127-E138 WeakPolarHBondContact CB-OE1 3.28Å; A127-L139 CarbonylContact C-O 3.49Å; A127-L139 VanDerWaalsContact CA-O 3.31Å; A127-L139 WeakPolarHBondContact CA-O 2.97Å
128W85.9Confident84.3Confident9 Ų977.1 Ų77.13%0.03438%0.378CS..EExtended strand (participates in β ladder)trans-90.6121.3169.1-69.497.5000109H107 S108 R110 M119 R120 L121 E138 L139H107-W128 HydrophobicContact CB-CZ2 4.21Å; H107-W128 VanDerWaalsContact O-CZ2 3.29Å; H107-W128 WeakPolarHBondContact O-CZ2 3.27Å; S108-W128 WeakPolarHBondContact O-CH2 3.07Å; R110-W128 HydrophobicContact CB-CD2 3.69Å; R110-W128 HydrophobicContact CB-CE3 3.82Å; R110-W128 HydrophobicContact CB-CG 4.21Å; R110-W128 HydrophobicContact CB-CH2 4.27Å; R110-W128 HydrophobicContact CB-CZ2 4.16Å; R110-W128 HydrophobicContact CB-CZ3 4.1Å; R110-W128 HydrophobicContact CG-CD2 4.46Å; M119-W128 HydrophobicContact CB-CB 4.02Å; M119-W128 HydrophobicContact CB-CD2 4.42Å; M119-W128 HydrophobicContact CB-CE3 3.74Å; M119-W128 VanDerWaalsContact CE-C 3.47Å; M119-W128 HydrophobicContact CE-CB 3.68Å; M119-W128 WeakPolarHBondContact CE-O 3.42Å; M119-W128 HydrophobicContact SD-CB 3.84Å; R120-W128 CarbonylContact O-C 3.57Å; R120-W128 WeakPolarHBondContact O-CA 3.48Å; L121-W128 HydrophobicContact CD1-CD2 4.21Å; L121-W128 HydrophobicContact CD1-CE3 4.46Å; L121-W128 HydrophobicContact CD1-CH2 4.38Å; L121-W128 HydrophobicContact CD1-CZ2 4.1Å; W128-E138 CarbonylContact O-C 3.48Å; W128-E138 VanDerWaalsContact O-CA 3.23Å; W128-E138 WeakPolarHBondContact O-CA 3.45Å; W128-L139 HydrophobicContact CB-CB 4.31Å; W128-L139 PolarHBondContact N-O 3.28Å; W128-L139 PolarHBondContact O-N 3.23Å
129C89.8Confident83.8Confident43 Ų4374.7 Ų74.729%0.29136%0.356SS..EExtended strand (participates in β ladder)trans-106.3127.1176.1-54.70000109.9M119 R120 S131M119-C129 CarbonylContact C-O 3.58Å; M119-C129 WeakPolarHBondContact CA-O 3.48Å; R120-C129 PolarHBondContact N-O 3.36Å; R120-C129 PolarHBondContact O-N 3.4Å; C129-S131 PolarHBondContact O-N 3.37Å
130C90.1Very high83Confident7 Ų780.9 Ų80.95%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-67.3124.1175.3-174.90000110.2C112 C115 M119 K132 C135 R137C112-C130 HydrophobicContact CB-CB 4.26Å; C115-C130 PolarHBondContact SG-SG 3.45Å; M119-C130 HydrophobicContact CE-CB 4.12Å; C130-K132 PolarHBondContact O-N 3.35Å; C130-C135 HydrophobicContact CB-CB 4.21Å; C130-C135 VanDerWaalsContact SG-CB 3.6Å; C130-C135 VanDerWaalsContact SG-SG 3.66Å; C130-R137 WeakPolarHBondContact CB-O 3.45Å; C130-R137 PolarHBondContact N-O 2.93Å
131S86.2Confident82.3Confident59 Ų5972.2 Ų72.241%0.41335%0.351SS..  trans-69.7-15.7-179.957.30000113.9A118 C129 R133A118-S131 PolarHBondContact O-OG 2.96Å; C129-S131 PolarHBondContact O-N 3.37Å; S131-R133 PolarHBondContact O-N 2.79Å
132K88.8Confident81.6Confident93 Ų9371.6 Ų71.640%0.40434%0.344SS..  trans-74.9117.4179.3-168.8-177.4-173.6-172.90110C115 K117 C130 S134 C135 H136C115-K132 HydrophobicContact CB-CD 4.01Å; K117-K132 HydrophobicContact CG-CB 4.49Å; C130-K132 PolarHBondContact O-N 3.35Å; K132-S134 WeakPolarHBondContact CD-OG 3.1Å; K132-S134 WeakPolarHBondContact CE-OG 3.23Å; K132-S134 PolarHBondContact O-N 2.75Å; K132-S134 VanDerWaalsContact O-N 3.1Å; K132-C135 HydrophobicContact CB-CB 3.99Å; K132-C135 HydrophobicContact CD-CB 4.4Å; K132-C135 HydrophobicContact CG-CB 4.44Å; K132-C135 PolarHBondContact O-N 3.35Å; K132-H136 PolarHBondContact O-N 3.42Å
133R87.5Confident80.8Confident221 Ų22172.9 Ų72.983%0.83435%0.345SS*.THydrogen-bonded Turntrans-57.3-22.1178.3-67.9-171.8-175.4-178.71.6115S131 H136S131-R133 PolarHBondContact O-N 2.79Å; R133-H136 VanDerWaalsContact C-CD2 3.49Å; R133-H136 WeakPolarHBondContact CA-NE2 3.1Å; R133-H136 PolarHBondContact O-CD2 3.18Å; R133-H136 PolarHBondContact O-NE2 3.26Å
134S89.9Confident80.4Confident95 Ų9562.8 Ų62.866%0.66432%0.321SS*.THydrogen-bonded Turntrans-87.5-11.5175.377.20000113K132K132-S134 WeakPolarHBondContact CD-OG 3.1Å; K132-S134 WeakPolarHBondContact CE-OG 3.23Å; K132-S134 PolarHBondContact O-N 2.75Å; K132-S134 VanDerWaalsContact O-N 3.1Å
135C89.9Confident80Confident25 Ų2561.7 Ų61.717%0.16931%0.308CS..THydrogen-bonded Turntrans-104-52.4-174.9-174.50000111C112 C130 K132 R137C112-C135 VanDerWaalsContact SG-SG 3.61Å; C130-C135 HydrophobicContact CB-CB 4.21Å; C130-C135 VanDerWaalsContact SG-CB 3.6Å; C130-C135 VanDerWaalsContact SG-SG 3.66Å; K132-C135 HydrophobicContact CB-CB 3.99Å; K132-C135 HydrophobicContact CD-CB 4.4Å; K132-C135 HydrophobicContact CG-CB 4.44Å; K132-C135 PolarHBondContact O-N 3.35Å; C135-R137 WeakPolarHBondContact O-CG 3.5Å; C135-R137 PolarHBondContact O-N 3.48Å
136H83.3Confident78.9Confident140 Ų14063.4 Ų63.465%0.64831%0.314SS*.  trans46.516.5180-74.3-65.2000116.3K132 R133K132-H136 PolarHBondContact O-N 3.42Å; R133-H136 VanDerWaalsContact C-CD2 3.49Å; R133-H136 WeakPolarHBondContact CA-NE2 3.1Å; R133-H136 PolarHBondContact O-CD2 3.18Å; R133-H136 PolarHBondContact O-NE2 3.26Å
137R84.9Confident78.1Confident120 Ų12061.6 Ų61.645%0.45331%0.305SS..  trans-71.5143.4-177.4-73.5-176.8-177.3-114.96.7111.2F114 C130 C135F114-R137 VanDerWaalsContact CD1-CZ 3.46Å; F114-R137 HydrophobicContact CD2-CG 4.44Å; F114-R137 VanDerWaalsContact CE2-CD 3.41Å; F114-R137 VanDerWaalsContact CG-CD 3.48Å; C130-R137 WeakPolarHBondContact CB-O 3.45Å; C130-R137 PolarHBondContact N-O 2.93Å; C135-R137 WeakPolarHBondContact O-CG 3.5Å; C135-R137 PolarHBondContact O-N 3.48Å
138E85.2Confident76.9Confident129 Ų12964 Ų6460%0.60332%0.315SS*.EExtended strand (participates in β ladder)trans-113.5135.8175.8-169.9170.7178.600109.4A127 W128A127-E138 HydrophobicContact CB-CG 3.57Å; A127-E138 WeakPolarHBondContact CB-OE1 3.28Å; W128-E138 CarbonylContact O-C 3.48Å; W128-E138 VanDerWaalsContact O-CA 3.23Å; W128-E138 WeakPolarHBondContact O-CA 3.45Å
139L77.7Confident75.2Confident11 Ų1165.2 Ų65.26%0.05832%0.323CS..EExtended strand (participates in β ladder)trans-127.2133.5174.8-51.7173.5000108P113 M119 A127 W128 M143P113-L139 HydrophobicContact CG-CD1 3.87Å; M119-L139 HydrophobicContact CE-CB 4.43Å; M119-L139 HydrophobicContact CE-CD1 3.86Å; M119-L139 HydrophobicContact CE-CG 3.84Å; M119-L139 HydrophobicContact SD-CD1 3.59Å; M119-L139 VanDerWaalsContact SD-CD1 3.59Å; M119-L139 HydrophobicContact SD-CG 4.25Å; A127-L139 CarbonylContact C-O 3.49Å; A127-L139 VanDerWaalsContact CA-O 3.31Å; A127-L139 WeakPolarHBondContact CA-O 2.97Å; W128-L139 HydrophobicContact CB-CB 4.31Å; W128-L139 PolarHBondContact N-O 3.28Å; W128-L139 PolarHBondContact O-N 3.23Å; L139-M143 HydrophobicContact CB-CB 4.49Å; L139-M143 HydrophobicContact CB-SD 3.79Å; L139-M143 HydrophobicContact CD1-SD 4.46Å; L139-M143 HydrophobicContact CD2-CE 4.43Å; L139-M143 HydrophobicContact CD2-SD 3.46Å; L139-M143 WeakPolarHBondContact CD2-SD 3.48Å; L139-M143 HydrophobicContact CG-SD 4.06Å
140F75.4Confident73.1Confident141 Ų14166.6 Ų66.662%0.61832%0.322SS*.EExtended strand (participates in β ladder)trans-58.8147.8174.4-62.4-73.5000111.1R110 R142 M143R110-F140 PolarHBondContact NH1-O 3.45Å; F140-R142 PolarHBondContact O-N 3.18Å; F140-R142 VanDerWaalsContact O-N 3.16Å; F140-M143 HydrophobicContact CB-CB 4.48Å; F140-M143 HydrophobicContact CD2-CE 4.21Å; F140-M143 WeakPolarHBondContact O-CB 3.4Å; F140-M143 PolarHBondContact O-N 2.94Å
141I73.6Confident71.2Confident2 Ų271.8 Ų71.81%0.0135%0.35CS..THydrogen-bonded Turntrans-59.9-30.8-178.5-170.6156.1000112.3V97 R101 L106 L121 G125 M126 M143V97-I141 HydrophobicContact CG1-CD1 3.32Å; V97-I141 HydrophobicContact CG1-CG1 4.39Å; V97-I141 HydrophobicContact CG1-CG2 4.38Å; V97-I141 HydrophobicContact CG2-CG2 4.3Å; R101-I141 HydrophobicContact CG-CD1 4.38Å; L106-I141 HydrophobicContact CB-CG1 4.5Å; L106-I141 HydrophobicContact CD1-CD1 4.03Å; L106-I141 HydrophobicContact CD1-CG1 4.03Å; L106-I141 HydrophobicContact CD2-CG1 4.25Å; L121-I141 HydrophobicContact CD1-CD1 3.87Å; G125-I141 VanDerWaalsContact O-CD1 3.26Å; G125-I141 WeakPolarHBondContact O-CD1 3.12Å; M126-I141 WeakPolarHBondContact O-CB 3.28Å; M126-I141 WeakPolarHBondContact O-CG2 3.46Å; M126-I141 PolarHBondContact O-N 2.93Å; I141-M143 VanDerWaalsContact C-N 3.33Å
142R70.5Confident69.5Low45 Ų4570.2 Ų70.217%0.1734%0.337CS..THydrogen-bonded Turntrans-74.2-20.7176.4-64.4-178.1-110.4-179.61.8113.2E93 F140 G144 T145 F147 N151 I152E93-R142 IonicContact OE1-CZ 3.93Å; E93-R142 IonicContact OE1-NH2 3.04Å; E93-R142 PolarHBondContact OE1-NH2 3.29Å; F140-R142 PolarHBondContact O-N 3.18Å; F140-R142 VanDerWaalsContact O-N 3.16Å; R142-G144 PolarHBondContact O-N 3.49Å; R142-T145 WeakPolarHBondContact O-CB 3.48Å; R142-T145 PolarHBondContact O-N 3.07Å; R142-T145 PolarHBondContact O-OG1 2.98Å; R142-F147 HydrophobicContact CB-CB 3.94Å; R142-F147 HydrophobicContact CG-CB 3.84Å; R142-N151 PolarHBondContact NH1-O 3.4Å; R142-N151 PolarHBondContact NH1-OD1 2.79Å; R142-I152 PolarHBondContact NH1-O 3.25Å
143M66.3Low67.7Low50 Ų5066.8 Ų66.825%0.24632%0.322CS..THydrogen-bonded Turntrans-62132.1-175.3-174.6176.4-71.600110.9R110 L139 F140 I141 T145 E148R110-M143 PolarHBondContact NH1-O 2.83Å; R110-M143 PolarHBondContact NH2-O 2.95Å; L139-M143 HydrophobicContact CB-CB 4.49Å; L139-M143 HydrophobicContact CB-SD 3.79Å; L139-M143 HydrophobicContact CD1-SD 4.46Å; L139-M143 HydrophobicContact CD2-CE 4.43Å; L139-M143 HydrophobicContact CD2-SD 3.46Å; L139-M143 WeakPolarHBondContact CD2-SD 3.48Å; L139-M143 HydrophobicContact CG-SD 4.06Å; F140-M143 HydrophobicContact CB-CB 4.48Å; F140-M143 HydrophobicContact CD2-CE 4.21Å; F140-M143 WeakPolarHBondContact O-CB 3.4Å; F140-M143 PolarHBondContact O-N 2.94Å; I141-M143 VanDerWaalsContact C-N 3.33Å; M143-T145 PolarHBondContact O-N 3.04Å; M143-E148 VanDerWaalsContact CA-OE2 3.27Å; M143-E148 WeakPolarHBondContact CA-OE2 3.37Å; M143-E148 WeakPolarHBondContact CG-OE1 3.49Å
144G60.6Low65.9Low46 Ų4656.4 Ų56.447%0.47428%0.284SS..THydrogen-bonded Turntrans71.914.1-175.400000114.3R142 E148R142-G144 PolarHBondContact O-N 3.49Å; G144-E148 PolarHBondContact N-OE2 3.13Å
145T61.2Low63.9Low7 Ų753.4 Ų53.44%0.04326%0.259CS..SBendtrans-116166.1168.871.40000109.5L106 H107 R142 M143 F147 E148L106-T145 HydrophobicContact CD2-CG2 4.09Å; H107-T145 VanDerWaalsContact CE1-CG2 3.47Å; H107-T145 WeakPolarHBondContact CE1-CG2 3.23Å; H107-T145 WeakPolarHBondContact ND1-CG2 3.26Å; R142-T145 WeakPolarHBondContact O-CB 3.48Å; R142-T145 PolarHBondContact O-N 3.07Å; R142-T145 PolarHBondContact O-OG1 2.98Å; M143-T145 PolarHBondContact O-N 3.04Å; T145-F147 PolarHBondContact O-N 2.9Å; T145-F147 WeakPolarHBondContact OG1-CB 3.31Å; T145-F147 WeakPolarHBondContact OG1-CD2 3.06Å; T145-F147 PolarHBondContact OG1-N 3.46Å; T145-E148 PolarHBondContact O-N 3.43Å; T145-E148 VanDerWaalsContact O-N 3.15Å
146W53.5Low61.9Low38 Ų3852.7 Ų52.714%0.14425%0.254CS..G310 helixtrans-49.4-22.8172.3175.1-100.2000113.5W20 L28 T68W20-W146 HydrophobicContact CH2-CD2 4.49Å; L28-W146 HydrophobicContact CD1-CZ3 4.22Å; T68-W146 HydrophobicContact CG2-CD2 3.98Å; T68-W146 HydrophobicContact CG2-CE3 3.82Å; T68-W146 HydrophobicContact CG2-CH2 3.09Å; T68-W146 HydrophobicContact CG2-CZ2 3.11Å; T68-W146 HydrophobicContact CG2-CZ3 3.39Å; T68-W146 WeakPolarHBondContact OG1-CH2 3.37Å; T68-W146 WeakPolarHBondContact OG1-CZ3 3.43Å
147F55.5Low60.3Low6 Ų646.2 Ų46.23%0.02623%0.225CC..G310 helixtrans-80.7-13.4-174.3-45.6-50.5000114.8L105 L106 R142 T145 V149 L157L105-F147 HydrophobicContact CB-CE2 4.49Å; L105-F147 HydrophobicContact CB-CZ 4.29Å; L105-F147 WeakPolarHBondContact O-CE2 3.32Å; L106-F147 HydrophobicContact CD2-CD2 3.41Å; L106-F147 VanDerWaalsContact CD2-CD2 3.41Å; L106-F147 HydrophobicContact CD2-CE2 3.61Å; L106-F147 HydrophobicContact CG-CD2 4.29Å; L106-F147 HydrophobicContact CG-CE2 4.07Å; R142-F147 HydrophobicContact CB-CB 3.94Å; R142-F147 HydrophobicContact CG-CB 3.84Å; T145-F147 PolarHBondContact O-N 2.9Å; T145-F147 WeakPolarHBondContact OG1-CB 3.31Å; T145-F147 WeakPolarHBondContact OG1-CD2 3.06Å; T145-F147 PolarHBondContact OG1-N 3.46Å; F147-V149 VanDerWaalsContact C-N 3.32Å; F147-V149 PolarHBondContact O-N 2.94Å; F147-L157 HydrophobicContact CB-CD1 4.39Å; F147-L157 HydrophobicContact CD1-CD1 3.24Å; F147-L157 HydrophobicContact CD1-CD2 3.39Å; F147-L157 HydrophobicContact CD1-CG 3.92Å; F147-L157 HydrophobicContact CD2-CD1 3.7Å; F147-L157 HydrophobicContact CE1-CD1 3.28Å; F147-L157 HydrophobicContact CE1-CD2 3.1Å; F147-L157 HydrophobicContact CE1-CG 3.75Å; F147-L157 HydrophobicContact CE2-CD1 3.71Å; F147-L157 HydrophobicContact CG-CD1 3.48Å; F147-L157 VanDerWaalsContact CG-CD1 3.48Å; F147-L157 HydrophobicContact CG-CD2 4.44Å; F147-L157 HydrophobicContact CZ-CD1 3.5Å; F147-L157 HydrophobicContact CZ-CD2 3.96Å; F147-L157 HydrophobicContact CZ-CG 4.24Å
148E59.9Low58.6Low57 Ų5742.4 Ų42.427%0.26621%0.213SC..G310 helixtrans-65.3-35.9178.9-174.6162.5-160.900112.1M143 G144 T145 R150M143-E148 VanDerWaalsContact CA-OE2 3.27Å; M143-E148 WeakPolarHBondContact CA-OE2 3.37Å; M143-E148 WeakPolarHBondContact CG-OE1 3.49Å; G144-E148 PolarHBondContact N-OE2 3.13Å; T145-E148 PolarHBondContact O-N 3.43Å; T145-E148 VanDerWaalsContact O-N 3.15Å; E148-R150 VanDerWaalsContact C-N 3.34Å; E148-R150 PolarHBondContact O-N 3.29Å
149V50Low56.9Low34 Ų3439.5 Ų39.521%0.20620%0.198CC..THydrogen-bonded Turntrans-65.5-32.8-169.8-163.90000113.7V37 F147V37-V149 HydrophobicContact CB-CG2 3.82Å; V37-V149 HydrophobicContact CG1-CG2 3.47Å; V37-V149 VanDerWaalsContact CG1-CG2 3.47Å; V37-V149 HydrophobicContact CG2-CG1 4.13Å; V37-V149 HydrophobicContact CG2-CG2 3.92Å; F147-V149 VanDerWaalsContact C-N 3.32Å; F147-V149 PolarHBondContact O-N 2.94Å
150R45.9Very low55.3Low72 Ų7240.6 Ų40.627%0.27220%0.204SC..THydrogen-bonded Turntrans-114.8-1.5-169.2-69.6-152.1-170.2-146.1-20.4114.7Q65 E148 I152Q65-R150 VanDerWaalsContact CD-CZ 3.45Å; Q65-R150 VanDerWaalsContact CD-NH2 3.35Å; Q65-R150 HydrophobicContact CG-CG 3.96Å; Q65-R150 VanDerWaalsContact CG-CZ 3.5Å; Q65-R150 VanDerWaalsContact CG-NE 3.33Å; Q65-R150 VanDerWaalsContact CG-NH2 3.25Å; Q65-R150 PolarHBondContact O-NH2 2.83Å; E148-R150 VanDerWaalsContact C-N 3.34Å; E148-R150 PolarHBondContact O-N 3.29Å; R150-I152 HydrophobicContact CB-CB 4.26Å; R150-I152 HydrophobicContact CB-CD1 3.63Å; R150-I152 HydrophobicContact CB-CG1 3.45Å; R150-I152 VanDerWaalsContact CB-CG1 3.45Å; R150-I152 HydrophobicContact CG-CD1 3.9Å; R150-I152 HydrophobicContact CG-CG1 4.21Å; R150-I152 PolarHBondContact O-N 3.13Å
151N49.3Very low54Low117 Ų11734.2 Ų34.263%0.62618%0.177SC*.THydrogen-bonded Turntrans47.233.8-162.8-160.5-1.2000110.7R142 D153R142-N151 PolarHBondContact NH1-O 3.4Å; R142-N151 PolarHBondContact NH1-OD1 2.79Å; N151-D153 PolarHBondContact O-N 2.72Å
152I50Low52.6Low26 Ų2637.4 Ų37.413%0.13320%0.198CC..  trans-63126.4178.1-81.4158.6000106.4R142 R150 C156 L157R142-I152 PolarHBondContact NH1-O 3.25Å; R150-I152 HydrophobicContact CB-CB 4.26Å; R150-I152 HydrophobicContact CB-CD1 3.63Å; R150-I152 HydrophobicContact CB-CG1 3.45Å; R150-I152 VanDerWaalsContact CB-CG1 3.45Å; R150-I152 HydrophobicContact CG-CD1 3.9Å; R150-I152 HydrophobicContact CG-CG1 4.21Å; R150-I152 PolarHBondContact O-N 3.13Å; I152-C156 HydrophobicContact CG2-CB 3.62Å; I152-L157 HydrophobicContact CG2-CD2 3.86Å; I152-L157 HydrophobicContact CG2-CG 4.17Å
153D50.8Low51.3Low20 Ų2042.2 Ų42.211%0.10722%0.222CC..  trans-59.5142.4173.4-161.1-62.6000110.5A86 V90 N151 H155 C156A86-D153 HydrophobicContact CB-CB 3.8Å; V90-D153 WeakPolarHBondContact CG2-OD1 3.36Å; N151-D153 PolarHBondContact O-N 2.72Å; D153-H155 PolarHBondContact O-N 2.88Å; D153-H155 PolarHBondContact OD1-N 2.87Å; D153-C156 PolarHBondContact O-N 3.27Å
154A50.6Low49.9Very low3 Ų342.8 Ų42.83%0.02523%0.23CC..Hα-helixtrans-51-24.5172.400000112.9E93 A96 V97 L100 L157 L158E93-A154 HydrophobicContact CG-CB 4.49Å; A96-A154 HydrophobicContact CB-CB 3.54Å; V97-A154 HydrophobicContact CG2-CB 3.69Å; L100-A154 HydrophobicContact CD1-CB 3.77Å; A154-L157 VanDerWaalsContact O-CB 3.27Å; A154-L157 WeakPolarHBondContact O-CB 3.46Å; A154-L157 PolarHBondContact O-N 2.78Å; A154-L158 PolarHBondContact O-N 3.42Å
155H47.6Very low48.8Very low32 Ų3245.4 Ų45.415%0.14824%0.237CC..Hα-helixtrans-63-44.7174.5-144.9-111.8000115.8T89 V90 D153 L157 L158 K159T89-H155 WeakPolarHBondContact CB-ND1 3.41Å; T89-H155 WeakPolarHBondContact CG2-CE1 3.44Å; T89-H155 WeakPolarHBondContact CG2-ND1 3.41Å; T89-H155 PolarHBondContact O-CD2 3.16Å; T89-H155 PolarHBondContact O-CE1 3.24Å; T89-H155 PolarHBondContact O-ND1 3.41Å; T89-H155 PolarHBondContact O-NE2 2.75Å; V90-H155 HydrophobicContact CB-CB 4.38Å; V90-H155 HydrophobicContact CG2-CB 3.22Å; D153-H155 PolarHBondContact O-N 2.88Å; D153-H155 PolarHBondContact OD1-N 2.87Å; H155-L157 PolarHBondContact O-N 3.45Å; H155-L158 WeakPolarHBondContact O-CB 3Å; H155-L158 PolarHBondContact O-N 3.1Å; H155-K159 PolarHBondContact O-N 2.9Å
156C48.8Very low47.6Very low10 Ų1054 Ų547%0.06828%0.277CS..Hα-helixtrans-61.4-20.9-177.8-58.40000109.2C83 I152 D153 L160C83-C156 HydrophobicContact CB-CB 4.49Å; C83-C156 WeakPolarHBondContact CB-SG 3.5Å; C83-C156 WeakPolarHBondContact SG-CB 3.14Å; C83-C156 CovalentContact SG-SG 2.06Å; C83-C156 PolarHBondContact SG-SG 2.87Å; I152-C156 HydrophobicContact CG2-CB 3.62Å; D153-C156 PolarHBondContact O-N 3.27Å; C156-L160 WeakPolarHBondContact O-CG 3.36Å; C156-L160 PolarHBondContact O-N 3.47Å
157L49Very low46.7Very low4 Ų455.7 Ų55.72%0.02131%0.306CS..Hα-helixtrans-83.5-32.1179.3-46.7179.2000113.6L100 F147 I152 A154 H155 K159 L160 S161L100-L157 HydrophobicContact CD1-CB 3.64Å; L100-L157 HydrophobicContact CD1-CD1 3.41Å; L100-L157 VanDerWaalsContact CD1-CD1 3.41Å; L100-L157 HydrophobicContact CD1-CG 4.09Å; L100-L157 HydrophobicContact CD2-CB 3.28Å; L100-L157 HydrophobicContact CD2-CD1 4.35Å; L100-L157 HydrophobicContact CD2-CG 4.43Å; L100-L157 HydrophobicContact CG-CB 4.02Å; L100-L157 HydrophobicContact CG-CD1 4.47Å; F147-L157 HydrophobicContact CB-CD1 4.39Å; F147-L157 HydrophobicContact CD1-CD1 3.24Å; F147-L157 HydrophobicContact CD1-CD2 3.39Å; F147-L157 HydrophobicContact CD1-CG 3.92Å; F147-L157 HydrophobicContact CD2-CD1 3.7Å; F147-L157 HydrophobicContact CE1-CD1 3.28Å; F147-L157 HydrophobicContact CE1-CD2 3.1Å; F147-L157 HydrophobicContact CE1-CG 3.75Å; F147-L157 HydrophobicContact CE2-CD1 3.71Å; F147-L157 HydrophobicContact CG-CD1 3.48Å; F147-L157 VanDerWaalsContact CG-CD1 3.48Å; F147-L157 HydrophobicContact CG-CD2 4.44Å; F147-L157 HydrophobicContact CZ-CD1 3.5Å; F147-L157 HydrophobicContact CZ-CD2 3.96Å; F147-L157 HydrophobicContact CZ-CG 4.24Å; I152-L157 HydrophobicContact CG2-CD2 3.86Å; I152-L157 HydrophobicContact CG2-CG 4.17Å; A154-L157 VanDerWaalsContact O-CB 3.27Å; A154-L157 WeakPolarHBondContact O-CB 3.46Å; A154-L157 PolarHBondContact O-N 2.78Å; H155-L157 PolarHBondContact O-N 3.45Å; L157-K159 PolarHBondContact O-N 3.13Å; L157-L160 HydrophobicContact CD2-CD1 4.21Å; L157-L160 PolarHBondContact O-N 3.03Å; L157-S161 PolarHBondContact O-N 3.07Å
158L50.2Low45.8Very low41 Ų4162.1 Ų62.122%0.21534%0.336CS..Hα-helixtrans-56.8-37.8169.6-69.8-173.7000111A96 F99 A154 H155 S161A96-L158 HydrophobicContact CB-CD1 3.91Å; A96-L158 HydrophobicContact CB-CD2 4.43Å; A96-L158 HydrophobicContact CB-CG 4.01Å; F99-L158 HydrophobicContact CB-CD2 3.45Å; F99-L158 VanDerWaalsContact CB-CD2 3.45Å; F99-L158 HydrophobicContact CD1-CD2 3.01Å; F99-L158 HydrophobicContact CD1-CG 4.43Å; F99-L158 HydrophobicContact CD2-CD2 4.04Å; F99-L158 HydrophobicContact CE1-CD2 3.6Å; F99-L158 HydrophobicContact CG-CD2 3.23Å; F99-L158 HydrophobicContact CZ-CD2 4.32Å; A154-L158 PolarHBondContact O-N 3.42Å; H155-L158 WeakPolarHBondContact O-CB 3Å; H155-L158 PolarHBondContact O-N 3.1Å; L158-S161 WeakPolarHBondContact O-CB 3.28Å; L158-S161 PolarHBondContact O-N 3.02Å
159K49.1Very low44.7Very low67 Ų6765 Ų6529%0.29135%0.352SS..Hα-helixtrans-76.7-25.1-178.2-63.6-174.4178.1179.60113.5H79 H155 L157 S161H79-K159 HydrophobicContact CB-CB 3.71Å; H79-K159 PolarHBondContact CD2-O 3.04Å; H79-K159 PolarHBondContact NE2-O 3.39Å; H155-K159 PolarHBondContact O-N 2.9Å; L157-K159 PolarHBondContact O-N 3.13Å; K159-S161 VanDerWaalsContact C-N 3.31Å
160L44Very low43.9Very low35 Ų3574.6 Ų74.618%0.18338%0.384CS..Hα-helixtrans-81.4-9.2173.1-69.3172.2000113.3Q76 H79 V80 C156 L157Q76-L160 HydrophobicContact CB-CD2 3.97Å; Q76-L160 WeakPolarHBondContact O-CD2 3.03Å; H79-L160 HydrophobicContact CB-CD2 4.04Å; H79-L160 HydrophobicContact CB-CG 4.28Å; V80-L160 HydrophobicContact CG2-CD1 4.31Å; V80-L160 HydrophobicContact CG2-CD2 4.25Å; C156-L160 WeakPolarHBondContact O-CG 3.36Å; C156-L160 PolarHBondContact O-N 3.47Å; L157-L160 HydrophobicContact CD2-CD1 4.21Å; L157-L160 PolarHBondContact O-N 3.03Å
161S47.1Very low43.1Very low6 Ų676.7 Ų76.74%0.04241%0.405CS..SBendtrans-71.8134.3172.5-161.40000109.3F99 L157 L158 K159 Q163F99-S161 VanDerWaalsContact CE1-CB 3.47Å; F99-S161 WeakPolarHBondContact CE1-OG 3.49Å; F99-S161 WeakPolarHBondContact CZ-OG 3.38Å; L157-S161 PolarHBondContact O-N 3.07Å; L158-S161 WeakPolarHBondContact O-CB 3.28Å; L158-S161 PolarHBondContact O-N 3.02Å; K159-S161 VanDerWaalsContact C-N 3.31Å; S161-Q163 PolarHBondContact O-N 2.76Å
162P45Very low42.1Very low70 Ų7082.6 Ų82.646%0.45542%0.419SS..  trans-55.7112.2174.822.2-32.8000109.4
163Q42.2Very low41Very low145 Ų14587 Ų8768%0.67845%0.452SS*.PPolyproline II helixtrans-59.5133.6172-70-72.7-0.800108.2S161 T165S161-Q163 PolarHBondContact O-N 2.76Å; Q163-T165 PolarHBondContact O-N 2.76Å
164P38.1Very low40Very low63 Ų6394.1 Ų94.141%0.40948%0.482SS..PPolyproline II helixtrans-58.9125.6168.323-27.8000107.7E166 I169P164-E166 PolarHBondContact O-N 3.39Å; P164-I169 HydrophobicContact CB-CG1 4.5Å; P164-I169 HydrophobicContact CG-CD1 4.14Å; P164-I169 HydrophobicContact CG-CG1 4.27Å
165T36.2Very low38.9Very low101 Ų10197.8 Ų97.862%0.6251%0.508SS*.PPolyproline II helixtrans-48.8135.4175.647.40000109.4Q163 G167 Q168Q163-T165 PolarHBondContact O-N 2.76Å; T165-G167 PolarHBondContact O-N 2.74Å; T165-Q168 PolarHBondContact O-N 3.09Å
166E35.9Very low38Very low187 Ų187108.4 Ų108.487%0.87455%0.547SS*.THydrogen-bonded Turntrans-50.6-15.7-174.3-75.3179.4134.800114.7P164P164-E166 PolarHBondContact O-N 3.39Å
167G34.7Very low37.1Very low73 Ų73113.4 Ų113.475%0.75358%0.577SS**THydrogen-bonded Turntrans-75.7-12.4170.600000117T165T165-G167 PolarHBondContact O-N 2.74Å
168Q38.4Very low36.2Very low142 Ų142122.1 Ų122.166%0.66461%0.614SS**SBendtrans-96.6-9.6-180-81.1-177.2-20.500114.2T165 R170T165-Q168 PolarHBondContact O-N 3.09Å; Q168-R170 PolarHBondContact O-N 3.13Å
169I36.9Very low35.2Very low118 Ų118131.1 Ų131.161%0.60565%0.647SS**THydrogen-bonded Turntrans-86.6-6.3-171.1-58.4177000112.5P164P164-I169 HydrophobicContact CB-CG1 4.5Å; P164-I169 HydrophobicContact CG-CD1 4.14Å; P164-I169 HydrophobicContact CG-CG1 4.27Å
170R31.8Very low34.4Very low234 Ų234135.8 Ų135.888%0.88367%0.67SS**THydrogen-bonded Turntrans-97.31.6-170.7-107.5-180175.1177.8-0.6118.4Q168Q168-R170 PolarHBondContact O-N 3.13Å
171T29.4Very low33.7Very low117 Ų117144.2 Ų144.272%0.71870%0.699SS**  trans-151.178.5178.547.70000113.2
172R27.5Very low32.9Very low240 Ų240152.7 Ų152.791%0.90674%0.738SS**  trans-144.155.4148.5-81.7-159.8171.6178.8-2.9111.3F174R172-F174 PolarHBondContact O-N 2.9Å
173S28.2Very low32.5Very low118 Ų118154.1 Ų154.183%0.82574%0.742SS**  trans-7085.814035.50000107.1
174F28.6Very low31.9Very low170 Ų170151.9 Ų151.975%0.74674%0.74SS**  trans-144.195.9175.8-138-95.9000111.9R172R172-F174 PolarHBondContact O-N 2.9Å
175S28Very low31.7Very low80 Ų80156.8 Ų156.856%0.55976%0.762SS**  trans31.2102.6136.5-9.30000116.5T177S175-T177 PolarHBondContact O-N 3.37Å
176R29.7Very low31.8Very low256 Ų256159.7 Ų159.797%0.96677%0.768SS**SBendtrans-70.263.3169.3-164.6-180-179.1-173.9-0.1110.7
177T28.3Very low31.7Very low115 Ų115158.6 Ų158.671%0.70676%0.763SS**  trans-159.973.3174.150.30000110.2S175S175-T177 PolarHBondContact O-N 3.37Å
178K30.6Very low31.8Very low186 Ų186162.1 Ų162.181%0.80977%0.77SS**SBendtrans-16915.3161-124177.4-179.9178.40120.5
179Y30.4Very low31.6Very low230 Ų230160.3 Ų160.390%0.90278%0.779SS**  trans-134.157.6169.6-78.6-83.4000111.1
180E30.9Very low31.5Very low166 Ų166159.8 Ų159.878%0.77679%0.792SS**  trans-81.3138.8141.9-73.2178.6159.300106.9
181R30.6Very low31.6Very low211 Ų211153.1 Ų153.180%0.79679%0.788SS**SBendtrans74.795.5172.9-47.6179.6-159.3-175.14114.9
182H30.3Very low31.8Very low185 Ų185155.2 Ų155.286%0.85679%0.794SS**  175.885.2124.3-89.7-63.4000107.7P184H182-P184 WeakPolarHBondContact O-CD 3.37Å
183N34.8Very low31.9Very low100 Ų100150.1 Ų150.154%0.53579%0.794SS.*  trans-97.7107.3160.2-179.65.3000107.3L185N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.24Å; N183-L185 PolarHBondContact OD1-N 3.41Å; N183-L185 VanDerWaalsContact OD1-N 3.09Å
184P29.8Very low32.1Very low97 Ų97150 Ų15063%0.6379%0.793SS**THydrogen-bonded Turntrans-84.97.6178.9-8.928000114.2H182H182-P184 WeakPolarHBondContact O-CD 3.37Å
185L34.1Very low32.3Very low166 Ų166153.1 Ų153.187%0.86980%0.8SS**THydrogen-bonded Turntrans-107.616178.3-74.1169.2000114.1N183N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.24Å; N183-L185 PolarHBondContact OD1-N 3.41Å; N183-L185 VanDerWaalsContact OD1-N 3.09Å
186E38.5Very low32.8Very low163 Ų163157.2 Ų157.276%0.76281%0.814SS**  trans-112.131.3170.9-124.4-173.8160.200112.6
187Q34.1Very low33.3Very low164 Ų164149.5 Ų149.577%0.76680%0.804SS**  trans-105.716.5-180-70-168.216.100114.9
188V35.9Very low33.7Very low147 Ų147147.5 Ų147.589%0.89181%0.807SS**SBendtrans-131.761.7178.3-161.30000110.7
189A35.6Very low34.2Very low104 Ų104142.8 Ų142.886%0.8680%0.803SS**SBendtrans-162.7-2.9165.200000115.8
190A35.4Very low34.9Very low106 Ų106138.8 Ų138.888%0.87680%0.802SS**SBendtrans-121.323.3-173.400000114.7
191A32.8Very low35.3Very low95 Ų95134.3 Ų134.379%0.78580%0.801SS**  trans-130.364.3-179.200000111.2
192D33Very low35.8Very low161 Ų161136 Ų13686%0.86181%0.807SS**  trans-165.279.3158.1-128.2-12.8000110.7
193C31Very low36.2Very low133 Ų133131.6 Ų131.690%0.89980%0.803SS**  trans-171.759.2161.1-105.10000109
194S31.9Very low36.9Very low114 Ų114132.9 Ų132.980%0.79781%0.814SS**  trans-131.576165.8-780000107.6
195R33.5Very low37.6Very low236 Ų236136.7 Ų136.789%0.89182%0.823SS**  trans170.9111.8159.6-95.4150.5-170-179.24.3106.4
196I38.6Very low37.8Very low167 Ų167137 Ų13786%0.85683%0.826SS**  trans153.7114.2145-75.7152.6000107.4
197A39.6Very low38Very low93 Ų93132.9 Ų132.977%0.76983%0.827SS**  trans60.4108.1160.100000116.7
198G35.6Very low38.2Very low73 Ų73128.7 Ų128.775%0.75383%0.828SS**  cis73.3109.939.700000109.9
199A41.9Very low38.5Very low88 Ų88128 Ų12873%0.72783%0.829SS**  trans97.3111.9165.200000118.1
200T46.1Very low39.2Very low145 Ų145129 Ų12989%0.8983%0.827SS**  trans58.4125.8131.658.90000117.9
201G38.3Very low39.7Very low73 Ų73127.1 Ų127.175%0.75382%0.817SS**  cis144.2134.820.500000107.6
202R42.1Very low40.2Very low246 Ų246132.1 Ų132.193%0.92882%0.824SS**  trans60.2117.4160.5-68.5-174.9-171.9-163.81.6121.1
203A38.1Very low40.6Very low93 Ų93128.8 Ų128.877%0.76982%0.819SS**  47.3131.412100000120.8
204V48.7Very low41.8Very low127 Ų127127 Ų12777%0.7781%0.814SS**  trans172.9105.6136.4163.70000106.1
205E45Very low42.8Very low176 Ų176132.2 Ų132.282%0.82284%0.84SS**  70.4124.5101.9-60.1-168.8137.600116.9
206D38.6Very low43.2Very low172 Ų172127 Ų12792%0.9284%0.838SS**  trans35.5144.4141.1-88.3-39.5000124.5
207G42Very low43.5Very low77 Ų77124.9 Ų124.979%0.79484%0.837SS**  trans122.6108.8165.800000110.9
208G38Very low43.7Very low76 Ų76126.7 Ų126.778%0.78484%0.84SS**  cis118.5117.648.900000107.2
209C42.5Very low44.2Very low134 Ų134129.8 Ų129.891%0.90585%0.845SS**  trans-66.3158.1174.3-72.60000111.7
210P50.3Low44.3Very low125 Ų125132.4 Ų132.481%0.81285%0.853SS**  -139.2135.2128.131.5-15.6000114.8
211G46.7Very low44.2Very low65 Ų65131.6 Ų131.667%0.6785%0.85SS**  37.9134.4120.800000123
212E43.6Very low44.6Very low201 Ų201135.8 Ų135.894%0.93986%0.857SS**  trans61.9154.4139.7-79.6173.482.500119.4
213A41.6Very low44.8Very low90 Ų90127.3 Ų127.374%0.74485%0.852SS**  cis-175.3143.8-24.300000103.4
214A55Low45.4Very low97 Ų97130.2 Ų130.280%0.80286%0.859SS**  trans-164.112715700000112.6
215V52.4Low45.1Very low222 Ų222130.5 Ų130.5100%1.34587%0.867SS**  trans84.90166.6-159.40000117.3

Retrieved 215 of 215 residues in 87.1 ms (Link to these results)

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