G4VR57_SCHMA Loading...

Putative calmodulin; Similar to 16 kDa calcium-binding protein

AlphaFold DB (A0A3Q0KJG4), UniProt , Accession G4VR57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 99 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
1M49Very low70.3Confident219 Ų219106.5 Ų106.5100%1.07951%0.505SS*.  0112.90-93.9162.4171.400105.6E3M1-E3 PolarHBondContact O-N 3.5Å
2D59.3Low71.2Confident112 Ų112107.5 Ų107.560%0.59951%0.509SS*.  trans-66126-174.7-60.3-100.3000110.9K4 I5D2-K4 PolarHBondContact O-N 3.06Å; D2-I5 HydrophobicContact CB-CG1 4.45Å; D2-I5 PolarHBondContact O-N 3Å
3E63.8Low71.9Confident123 Ų123102.1 Ų102.158%0.57548%0.484SS*.Hα-helixtrans-44.4-34.1171-83.1159.853.300112.2M1 I5 L6 L7 I66M1-E3 PolarHBondContact O-N 3.5Å; E3-I5 VanDerWaalsContact C-N 3.35Å; E3-I5 PolarHBondContact O-N 3.08Å; E3-L6 PolarHBondContact O-N 3.34Å; E3-L7 WeakPolarHBondContact O-CB 3.15Å; E3-L7 PolarHBondContact O-N 2.98Å; E3-I66 HydrophobicContact CG-CD1 3.71Å
4K68.2Low72.9Confident173 Ų17395.9 Ų95.975%0.75246%0.455SS*.Hα-helixtrans-60.4-37.6179.6-69.9-173.9176.5176.40114.2D2 D8D2-K4 PolarHBondContact O-N 3.06Å; K4-D8 VanDerWaalsContact O-CB 3.29Å; K4-D8 WeakPolarHBondContact O-CB 2.94Å; K4-D8 PolarHBondContact O-N 2.77Å
5I73.8Confident73.3Confident102 Ų10297.4 Ų97.452%0.52346%0.459SS..Hα-helixtrans-70.3-41.3-179.3-62.8174.2000109.4D2 E3 D8 Q9D2-I5 HydrophobicContact CB-CG1 4.45Å; D2-I5 PolarHBondContact O-N 3Å; E3-I5 VanDerWaalsContact C-N 3.35Å; E3-I5 PolarHBondContact O-N 3.08Å; I5-D8 PolarHBondContact O-N 3.23Å; I5-Q9 WeakPolarHBondContact O-CG 3.09Å; I5-Q9 PolarHBondContact O-N 3.42Å
6L69.3Low74Confident23 Ų2399.9 Ų99.912%0.1248%0.476CS..Hα-helixtrans-66.2-44.4179.4-62.5173.8000110.9E3 D8 Q9 F10 Y60 L64 I66E3-L6 PolarHBondContact O-N 3.34Å; L6-D8 VanDerWaalsContact C-N 3.32Å; L6-D8 PolarHBondContact O-N 3.2Å; L6-Q9 PolarHBondContact O-N 2.98Å; L6-F10 WeakPolarHBondContact O-CB 3.14Å; L6-F10 PolarHBondContact O-N 2.99Å; L6-Y60 HydrophobicContact CB-CE1 4.05Å; L6-Y60 HydrophobicContact CD2-CE1 4.49Å; L6-L64 HydrophobicContact CB-CD1 4.13Å; L6-L64 HydrophobicContact CD1-CB 4.33Å; L6-L64 HydrophobicContact CD1-CD1 3.69Å; L6-L64 HydrophobicContact CD2-CD1 3.4Å; L6-L64 VanDerWaalsContact CD2-CD1 3.4Å; L6-L64 HydrophobicContact CD2-CD2 4.43Å; L6-L64 HydrophobicContact CD2-CG 4.48Å; L6-L64 HydrophobicContact CG-CD1 3.88Å; L6-I66 HydrophobicContact CD1-CD1 4.07Å
7L73.7Confident74.4Confident71 Ų7197.5 Ų97.537%0.37249%0.485SS..Hα-helixtrans-62.8-39.6174.4-175.857.9000111.9E3 F10 R11 L57E3-L7 WeakPolarHBondContact O-CB 3.15Å; E3-L7 PolarHBondContact O-N 2.98Å; L7-F10 PolarHBondContact O-N 3.39Å; L7-R11 HydrophobicContact CD1-CG 4.12Å; L7-R11 HydrophobicContact CG-CG 4.34Å; L7-R11 VanDerWaalsContact O-CB 3.3Å; L7-R11 WeakPolarHBondContact O-CB 3.37Å; L7-R11 WeakPolarHBondContact O-CG 3.46Å; L7-R11 PolarHBondContact O-N 3.22Å; L7-L57 HydrophobicContact CD1-CD1 3.36Å; L7-L57 HydrophobicContact CD1-CG 4.48Å
8D80.1Confident74.9Confident85 Ų8596.3 Ų96.346%0.45548%0.48SS..Hα-helixtrans-65-41.9176.3-164.9-94.9000111.4K4 I5 L6 R11 Q12K4-D8 VanDerWaalsContact O-CB 3.29Å; K4-D8 WeakPolarHBondContact O-CB 2.94Å; K4-D8 PolarHBondContact O-N 2.77Å; I5-D8 PolarHBondContact O-N 3.23Å; L6-D8 VanDerWaalsContact C-N 3.32Å; L6-D8 PolarHBondContact O-N 3.2Å; D8-R11 PolarHBondContact O-N 2.75Å; D8-Q12 WeakPolarHBondContact O-CB 3.44Å; D8-Q12 VanDerWaalsContact O-CG 3.3Å; D8-Q12 WeakPolarHBondContact O-CG 3.19Å; D8-Q12 PolarHBondContact O-N 3.32Å; D8-Q12 PolarHBondContact OD1-NE2 3.49Å
9Q75.5Confident75.2Confident92 Ų9292.9 Ų92.943%0.4347%0.472SS..Hα-helixtrans-63-43.7173.7-72.4-163.8-90.200112.3I5 L6 Q12 M13I5-Q9 WeakPolarHBondContact O-CG 3.09Å; I5-Q9 PolarHBondContact O-N 3.42Å; L6-Q9 PolarHBondContact O-N 2.98Å; Q9-Q12 PolarHBondContact O-N 3.28Å; Q9-M13 HydrophobicContact CB-CE 4.32Å; Q9-M13 WeakPolarHBondContact O-CE 3.13Å; Q9-M13 WeakPolarHBondContact O-CG 3.37Å; Q9-M13 PolarHBondContact O-N 2.79Å
10F79.5Confident75.8Confident2 Ų289.8 Ų89.81%0.00946%0.457CS..Hα-helixtrans-60.4-48.5176.4-170.7-82.6000110.7L6 L7 Q12 M13 D14 G19 L21 I55 L57 Y60L6-F10 WeakPolarHBondContact O-CB 3.14Å; L6-F10 PolarHBondContact O-N 2.99Å; L7-F10 PolarHBondContact O-N 3.39Å; F10-Q12 VanDerWaalsContact C-N 3.29Å; F10-Q12 PolarHBondContact O-N 2.99Å; F10-M13 CarbonylContact O-C 3.58Å; F10-M13 WeakPolarHBondContact O-CA 3.32Å; F10-M13 WeakPolarHBondContact O-CB 3.2Å; F10-M13 PolarHBondContact O-N 2.98Å; F10-D14 HydrophobicContact CD1-CB 4.34Å; F10-D14 HydrophobicContact CE1-CB 4.27Å; F10-D14 WeakPolarHBondContact O-CB 3.4Å; F10-D14 PolarHBondContact O-N 3.46Å; F10-G19 WeakPolarHBondContact CE1-O 3.19Å; F10-G19 WeakPolarHBondContact CZ-O 3.33Å; F10-L21 HydrophobicContact CD2-CD1 3.64Å; F10-L21 HydrophobicContact CD2-CG 3.92Å; F10-L21 HydrophobicContact CE1-CG 4.16Å; F10-L21 HydrophobicContact CE2-CB 4.33Å; F10-L21 HydrophobicContact CE2-CD1 3.67Å; F10-L21 HydrophobicContact CE2-CG 3.55Å; F10-L21 HydrophobicContact CG-CD1 4.29Å; F10-L21 HydrophobicContact CG-CG 4.4Å; F10-L21 HydrophobicContact CZ-CB 4.4Å; F10-L21 HydrophobicContact CZ-CD1 4.32Å; F10-L21 HydrophobicContact CZ-CG 3.7Å; F10-I55 WeakPolarHBondContact CE2-O 3.44Å; F10-I55 WeakPolarHBondContact CZ-O 3.43Å; F10-L57 HydrophobicContact CZ-CB 4.31Å; F10-Y60 HydrophobicContact CB-CD1 4.4Å; F10-Y60 HydrophobicContact CB-CE1 4.31Å; F10-Y60 AromaticContact CD2-CD1 3.88Å; F10-Y60 HydrophobicContact CD2-CD1 3.88Å; F10-Y60 HydrophobicContact CD2-CD2 4.36Å; F10-Y60 HydrophobicContact CD2-CE1 4.42Å; F10-Y60 AromaticContact CD2-CG 3.85Å; F10-Y60 HydrophobicContact CD2-CG 3.85Å; F10-Y60 HydrophobicContact CE2-CG 4.37Å
11R80.7Confident76.2Confident170 Ų17085.5 Ų85.564%0.64244%0.436SS*.Hα-helixtrans-66.2-27.3178.2-70.4175.477.7-167.76.6113.8L7 D8 M13 D14L7-R11 HydrophobicContact CD1-CG 4.12Å; L7-R11 HydrophobicContact CG-CG 4.34Å; L7-R11 VanDerWaalsContact O-CB 3.3Å; L7-R11 WeakPolarHBondContact O-CB 3.37Å; L7-R11 WeakPolarHBondContact O-CG 3.46Å; L7-R11 PolarHBondContact O-N 3.22Å; D8-R11 PolarHBondContact O-N 2.75Å; R11-M13 VanDerWaalsContact C-N 3.29Å; R11-D14 VanDerWaalsContact O-O 3.13Å
12Q81.7Confident78Confident118 Ų11876.3 Ų76.355%0.55139%0.393SS*.Hα-helixtrans-70-31.5172.2-80-177.17000111.9D8 Q9 F10 K15D8-Q12 WeakPolarHBondContact O-CB 3.44Å; D8-Q12 VanDerWaalsContact O-CG 3.3Å; D8-Q12 WeakPolarHBondContact O-CG 3.19Å; D8-Q12 PolarHBondContact O-N 3.32Å; D8-Q12 PolarHBondContact OD1-NE2 3.49Å; Q9-Q12 PolarHBondContact O-N 3.28Å; F10-Q12 VanDerWaalsContact C-N 3.29Å; F10-Q12 PolarHBondContact O-N 2.99Å; Q12-K15 PolarHBondContact O-NZ 2.87Å
13M80.2Confident79.2Confident37 Ų3778.3 Ų78.318%0.18239%0.392CS..Hα-helixtrans-82.8-37.7178.3-70.3-172.8-88.900112.6Q9 F10 R11 K15 L21Q9-M13 HydrophobicContact CB-CE 4.32Å; Q9-M13 WeakPolarHBondContact O-CE 3.13Å; Q9-M13 WeakPolarHBondContact O-CG 3.37Å; Q9-M13 PolarHBondContact O-N 2.79Å; F10-M13 CarbonylContact O-C 3.58Å; F10-M13 WeakPolarHBondContact O-CA 3.32Å; F10-M13 WeakPolarHBondContact O-CB 3.2Å; F10-M13 PolarHBondContact O-N 2.98Å; R11-M13 VanDerWaalsContact C-N 3.29Å; M13-K15 PolarHBondContact O-N 3.12Å; M13-L21 HydrophobicContact CB-CD1 3.98Å; M13-L21 HydrophobicContact CB-CD2 3.44Å; M13-L21 VanDerWaalsContact CB-CD2 3.44Å; M13-L21 HydrophobicContact CB-CG 4.38Å; M13-L21 HydrophobicContact CE-CD1 4.34Å; M13-L21 HydrophobicContact SD-CD1 4.35Å
14D85.4Confident80.2Confident16 Ų1682 Ų829%0.08640%0.401CS..  trans-72.6101176.4178.19.2000109.2F10 R11 D16 G17 N18 G19 L21F10-D14 HydrophobicContact CD1-CB 4.34Å; F10-D14 HydrophobicContact CE1-CB 4.27Å; F10-D14 WeakPolarHBondContact O-CB 3.4Å; F10-D14 PolarHBondContact O-N 3.46Å; R11-D14 VanDerWaalsContact O-O 3.13Å; D14-D16 PolarHBondContact OD1-N 3.24Å; D14-G17 WeakPolarHBondContact OD1-CA 3.36Å; D14-G17 PolarHBondContact OD1-N 3.29Å; D14-G17 VanDerWaalsContact OD2-C 3.25Å; D14-G17 WeakPolarHBondContact OD2-CA 3.35Å; D14-N18 PolarHBondContact OD1-N 2.92Å; D14-N18 PolarHBondContact OD1-OD1 3.34Å; D14-N18 PolarHBondContact OD2-N 2.84Å; D14-N18 VanDerWaalsContact OD2-N 3.17Å; D14-G19 PolarHBondContact OD2-N 2.96Å; D14-L21 HydrophobicContact CB-CD2 3.82Å
15K79.8Confident81.1Confident118 Ų11874.4 Ų74.451%0.51337%0.368SS..SBendtrans-84.2-29.1-178.4-68-51.1-173.9-153.50111.9Q12 M13 E25Q12-K15 PolarHBondContact O-NZ 2.87Å; M13-K15 PolarHBondContact O-N 3.12Å; K15-E25 PolarHBondContact N-OE1 3.31Å
16D83.7Confident81.5Confident137 Ų13769.6 Ų69.673%0.73334%0.344SS*.SBendtrans-83.9-21179.7-152.2-112.4000111.9D14 N18 E25D14-D16 PolarHBondContact OD1-N 3.24Å; D16-N18 VanDerWaalsContact C-N 3.31Å; D16-E25 PolarHBondContact N-OE1 3.32Å
17G80.6Confident82.1Confident60 Ų6073 Ų7362%0.61936%0.355SS*.  trans73.624.6-178.500000112.6D14 G19D14-G17 WeakPolarHBondContact OD1-CA 3.36Å; D14-G17 PolarHBondContact OD1-N 3.29Å; D14-G17 VanDerWaalsContact OD2-C 3.25Å; D14-G17 WeakPolarHBondContact OD2-CA 3.35Å; G17-G19 VanDerWaalsContact C-N 3.34Å
18N84Confident82.6Confident76 Ų7674.7 Ų74.741%0.40636%0.361SS..SBendtrans-83.9-10.5-176.571.8-18000112.5D14 D16 T20D14-N18 PolarHBondContact OD1-N 2.92Å; D14-N18 PolarHBondContact OD1-OD1 3.34Å; D14-N18 PolarHBondContact OD2-N 2.84Å; D14-N18 VanDerWaalsContact OD2-N 3.17Å; D16-N18 VanDerWaalsContact C-N 3.31Å; N18-T20 PolarHBondContact ND2-OG1 2.82Å; N18-T20 PolarHBondContact OD1-N 2.77Å; N18-T20 PolarHBondContact OD1-O 3.2Å
19G81.6Confident82.6Confident31 Ų3171.6 Ų71.632%0.3235%0.346SS..SBendtrans83.48.8-177.800000114.8F10 D14 G17 L57F10-G19 WeakPolarHBondContact CE1-O 3.19Å; F10-G19 WeakPolarHBondContact CZ-O 3.33Å; D14-G19 PolarHBondContact OD2-N 2.96Å; G17-G19 VanDerWaalsContact C-N 3.34Å; G19-L57 PolarHBondContact O-N 2.83Å
20T85.7Confident82.6Confident30 Ų3068.2 Ų68.218%0.18433%0.33CS..EExtended strand (participates in β ladder)trans-129.2141.7172.369.10000109.4N18 S22 E54 I55 T56N18-T20 PolarHBondContact ND2-OG1 2.82Å; N18-T20 PolarHBondContact OD1-N 2.77Å; N18-T20 PolarHBondContact OD1-O 3.2Å; T20-S22 PolarHBondContact O-N 3.26Å; T20-E54 PolarHBondContact OG1-OE1 2.76Å; T20-I55 CarbonylContact C-O 3.56Å; T20-I55 WeakPolarHBondContact CA-O 3.4Å; T20-T56 HydrophobicContact CG2-CG2 3.87Å
21L85.8Confident82.6Confident0 Ų074.5 Ų74.50%036%0.357CS..EExtended strand (participates in β ladder)trans-92.197.9172.8-69.2175.6000109F10 M13 D14 I26 E54 I55F10-L21 HydrophobicContact CD2-CD1 3.64Å; F10-L21 HydrophobicContact CD2-CG 3.92Å; F10-L21 HydrophobicContact CE1-CG 4.16Å; F10-L21 HydrophobicContact CE2-CB 4.33Å; F10-L21 HydrophobicContact CE2-CD1 3.67Å; F10-L21 HydrophobicContact CE2-CG 3.55Å; F10-L21 HydrophobicContact CG-CD1 4.29Å; F10-L21 HydrophobicContact CG-CG 4.4Å; F10-L21 HydrophobicContact CZ-CB 4.4Å; F10-L21 HydrophobicContact CZ-CD1 4.32Å; F10-L21 HydrophobicContact CZ-CG 3.7Å; M13-L21 HydrophobicContact CB-CD1 3.98Å; M13-L21 HydrophobicContact CB-CD2 3.44Å; M13-L21 VanDerWaalsContact CB-CD2 3.44Å; M13-L21 HydrophobicContact CB-CG 4.38Å; M13-L21 HydrophobicContact CE-CD1 4.34Å; M13-L21 HydrophobicContact SD-CD1 4.35Å; D14-L21 HydrophobicContact CB-CD2 3.82Å; L21-I26 HydrophobicContact CB-CD1 4.14Å; L21-I26 HydrophobicContact CB-CG1 3.92Å; L21-E54 WeakPolarHBondContact O-CA 3.43Å; L21-I55 HydrophobicContact CB-CB 4.26Å; L21-I55 PolarHBondContact N-O 3.34Å; L21-I55 PolarHBondContact O-N 2.73Å
22S86.2Confident82.5Confident27 Ų2772.8 Ų72.819%0.18936%0.36CS..EExtended strand (participates in β ladder)trans-68.8154.4174.9-47.60000110.3T20 R24 E25 I26 E54T20-S22 PolarHBondContact O-N 3.26Å; S22-R24 PolarHBondContact O-N 3.37Å; S22-E25 PolarHBondContact N-OE2 3.23Å; S22-E25 PolarHBondContact O-N 2.8Å; S22-I26 PolarHBondContact O-N 3.42Å; S22-I26 VanDerWaalsContact O-N 3.1Å; S22-E54 WeakPolarHBondContact CB-OE1 3.45Å; S22-E54 PolarHBondContact OG-OE1 2.99Å
23R83.9Confident82.1Confident153 Ų15371.2 Ų71.258%0.57736%0.362SS*.Hα-helixtrans-44-31.6168.459.3169.9-76.9-172.50.1114.8R27 I44 G53R23-R27 WeakPolarHBondContact O-CB 3.41Å; R23-R27 PolarHBondContact O-N 3.39Å; R23-I44 HydrophobicContact CB-CD1 3.74Å; R23-G53 PolarHBondContact N-O 3.23Å
24R85.2Confident81.8Confident200 Ų20072.5 Ų72.576%0.75539%0.385SS*.Hα-helixtrans-71.8-40.2179.5-76.8177.364.7-160.5-2.4111.9S22 R27 Q28S22-R24 PolarHBondContact O-N 3.37Å; R24-R27 PolarHBondContact O-N 3.47Å; R24-Q28 WeakPolarHBondContact O-CB 3.39Å; R24-Q28 PolarHBondContact O-N 2.89Å
25E86.3Confident81.2Confident14 Ų1477 Ų777%0.06540%0.404CS..Hα-helixtrans-74.2-43.9-178.3-62.3-177.2111.300111K15 D16 S22 R27 Q28 C29K15-E25 PolarHBondContact N-OE1 3.31Å; D16-E25 PolarHBondContact N-OE1 3.32Å; S22-E25 PolarHBondContact N-OE2 3.23Å; S22-E25 PolarHBondContact O-N 2.8Å; E25-R27 VanDerWaalsContact C-N 3.27Å; E25-R27 PolarHBondContact O-N 3.39Å; E25-Q28 PolarHBondContact O-N 3.36Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; E25-C29 WeakPolarHBondContact O-CB 3.48Å; E25-C29 PolarHBondContact O-N 2.69Å
26I81.8Confident81Confident2 Ų277.5 Ų77.51%0.0141%0.413CS..Hα-helixtrans-57.3-46.8170.5-55.2165.5000108.5L21 S22 Q28 C29 M30 L40 F43 I44 I55L21-I26 HydrophobicContact CB-CD1 4.14Å; L21-I26 HydrophobicContact CB-CG1 3.92Å; S22-I26 PolarHBondContact O-N 3.42Å; S22-I26 VanDerWaalsContact O-N 3.1Å; I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.9Å; I26-C29 PolarHBondContact O-N 2.93Å; I26-M30 HydrophobicContact CG2-CE 3.91Å; I26-M30 HydrophobicContact CG2-CG 4.02Å; I26-M30 VanDerWaalsContact O-CB 3.3Å; I26-M30 WeakPolarHBondContact O-CB 3.12Å; I26-M30 WeakPolarHBondContact O-CG 3.43Å; I26-M30 PolarHBondContact O-N 3.17Å; I26-L40 HydrophobicContact CB-CD1 4.06Å; I26-L40 HydrophobicContact CG2-CD1 3.9Å; I26-L40 HydrophobicContact CG2-CG 4.01Å; I26-F43 HydrophobicContact CD1-CD1 4.16Å; I26-F43 HydrophobicContact CD1-CE1 4.38Å; I26-F43 HydrophobicContact CG2-CD1 4.11Å; I26-I44 HydrophobicContact CD1-CD1 4.25Å; I26-I44 HydrophobicContact CD1-CG1 3.8Å; I26-I55 HydrophobicContact CD1-CD1 3.59Å; I26-I55 HydrophobicContact CD1-CG1 4.3Å
27R83.9Confident80.7Confident95 Ų9576.4 Ų76.436%0.35840%0.403SS..Hα-helixtrans-60.9-40.3178.3-170.3177.4-173.2-157.92.8112.3R23 R24 E25 K31 E37 L40R23-R27 WeakPolarHBondContact O-CB 3.41Å; R23-R27 PolarHBondContact O-N 3.39Å; R24-R27 PolarHBondContact O-N 3.47Å; E25-R27 VanDerWaalsContact C-N 3.27Å; E25-R27 PolarHBondContact O-N 3.39Å; R27-K31 WeakPolarHBondContact O-CB 3.26Å; R27-K31 VanDerWaalsContact O-CG 3.28Å; R27-K31 WeakPolarHBondContact O-CG 3.42Å; R27-K31 PolarHBondContact O-N 2.73Å; R27-E37 IonicContact CZ-OE1 3.12Å; R27-E37 IonicContact NE-OE1 2.86Å; R27-E37 PolarHBondContact NE-OE1 2.94Å; R27-E37 IonicContact NH2-OE1 2.69Å; R27-E37 PolarHBondContact NH2-OE1 3.37Å; R27-L40 HydrophobicContact CB-CD1 3.42Å; R27-L40 VanDerWaalsContact CB-CD1 3.42Å; R27-L40 HydrophobicContact CG-CD1 4.11Å
28Q83.9Confident80.7Confident106 Ų10681.5 Ų81.550%0.49541%0.408SS..Hα-helixtrans-68-45179.1-174.9170.7-30.700111R24 E25 I26 K31 L32R24-Q28 WeakPolarHBondContact O-CB 3.39Å; R24-Q28 PolarHBondContact O-N 2.89Å; E25-Q28 PolarHBondContact O-N 3.36Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.9Å; Q28-K31 PolarHBondContact O-N 3.49Å; Q28-L32 WeakPolarHBondContact O-CG 3.33Å; Q28-L32 PolarHBondContact O-N 3.32Å
29C78.4Confident80.3Confident20 Ų2082.3 Ų82.314%0.13541%0.408CS..Hα-helixtrans-62.5-44.1174.5-76.20000111.9E25 I26 K31 L32 S33E25-C29 WeakPolarHBondContact O-CB 3.48Å; E25-C29 PolarHBondContact O-N 2.69Å; I26-C29 PolarHBondContact O-N 2.93Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 3.15Å; C29-L32 PolarHBondContact O-N 3.4Å; C29-S33 WeakPolarHBondContact O-CB 3.15Å; C29-S33 PolarHBondContact O-N 2.86Å; C29-S33 PolarHBondContact O-OG 3.21Å
30M77.2Confident80.3Confident20 Ų2081.9 Ų81.910%0.09940%0.398CS..Hα-helixtrans-62.3-40.8176.4-69.1-64.4172.600111.7I26 L32 S33 G34 F35 F39 F43I26-M30 HydrophobicContact CG2-CE 3.91Å; I26-M30 HydrophobicContact CG2-CG 4.02Å; I26-M30 VanDerWaalsContact O-CB 3.3Å; I26-M30 WeakPolarHBondContact O-CB 3.12Å; I26-M30 WeakPolarHBondContact O-CG 3.43Å; I26-M30 PolarHBondContact O-N 3.17Å; M30-L32 PolarHBondContact O-N 3.47Å; M30-S33 CarbonylContact O-C 3.57Å; M30-S33 PolarHBondContact O-N 2.94Å; M30-G34 PolarHBondContact O-N 3.28Å; M30-F35 HydrophobicContact CB-CB 4.04Å; M30-F35 HydrophobicContact CG-CB 4.31Å; M30-F35 PolarHBondContact O-N 3.49Å; M30-F35 HydrophobicContact SD-CB 3.46Å; M30-F35 WeakPolarHBondContact SD-CB 3.35Å; M30-F35 HydrophobicContact SD-CD2 3.67Å; M30-F35 HydrophobicContact SD-CG 3.76Å; M30-F39 HydrophobicContact CE-CD1 3.5Å; M30-F39 HydrophobicContact CE-CE1 3.64Å; M30-F39 HydrophobicContact SD-CD1 3.72Å; M30-F39 HydrophobicContact SD-CE1 4.24Å; M30-F43 HydrophobicContact CE-CD2 4.49Å; M30-F43 HydrophobicContact CE-CG 4.4Å
31K79.4Confident80Confident135 Ų13583.9 Ų83.959%0.58741%0.411SS*.Hα-helixtrans-63-40.2174.9-81.8-176.7178.3-170.30112.7R27 Q28 C29 S33 G34R27-K31 WeakPolarHBondContact O-CB 3.26Å; R27-K31 VanDerWaalsContact O-CG 3.28Å; R27-K31 WeakPolarHBondContact O-CG 3.42Å; R27-K31 PolarHBondContact O-N 2.73Å; Q28-K31 PolarHBondContact O-N 3.49Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 3.15Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-G34 PolarHBondContact O-N 2.92Å
32L77.6Confident79.8Confident134 Ų13489.3 Ų89.370%0.70244%0.436SS*.Hα-helixtrans-67.8-36177.3-70.5171.7000111.7Q28 C29 M30Q28-L32 WeakPolarHBondContact O-CG 3.33Å; Q28-L32 PolarHBondContact O-N 3.32Å; C29-L32 PolarHBondContact O-N 3.4Å; M30-L32 PolarHBondContact O-N 3.47Å
33S73.6Confident79.5Confident84 Ų8489.3 Ų89.359%0.58743%0.433SS*.Hα-helixtrans-86.7-4.7-180-630000114.3C29 M30 K31 F35C29-S33 WeakPolarHBondContact O-CB 3.15Å; C29-S33 PolarHBondContact O-N 2.86Å; C29-S33 PolarHBondContact O-OG 3.21Å; M30-S33 CarbonylContact O-C 3.57Å; M30-S33 PolarHBondContact O-N 2.94Å; K31-S33 VanDerWaalsContact C-N 3.33Å; S33-F35 VanDerWaalsContact CB-CD2 3.46Å
34G74.7Confident79.4Confident65 Ų6583 Ų8367%0.6741%0.41SS*.THydrogen-bonded Turntrans7915179.400000115.2M30 K31M30-G34 PolarHBondContact O-N 3.28Å; K31-G34 PolarHBondContact O-N 2.92Å
35F72.7Confident79.3Confident110 Ų11080.4 Ų80.448%0.48241%0.407SS..  trans-79.6143.7175.7-67.4-73.3000111.5M30 S33M30-F35 HydrophobicContact CB-CB 4.04Å; M30-F35 HydrophobicContact CG-CB 4.31Å; M30-F35 PolarHBondContact O-N 3.49Å; M30-F35 HydrophobicContact SD-CB 3.46Å; M30-F35 WeakPolarHBondContact SD-CB 3.35Å; M30-F35 HydrophobicContact SD-CD2 3.67Å; M30-F35 HydrophobicContact SD-CG 3.76Å; S33-F35 VanDerWaalsContact CB-CD2 3.46Å
36N74.4Confident79Confident129 Ų12983.6 Ų83.669%0.6943%0.427SS*.  trans-74.7153.1179.4-78.8-46.1000112K38 F39N36-K38 PolarHBondContact O-N 3.45Å; N36-F39 WeakPolarHBondContact O-CB 3.3Å; N36-F39 PolarHBondContact O-N 3.17Å
37E78.3Confident78.9Confident114 Ų11484.7 Ų84.753%0.53343%0.432SS..Hα-helixtrans-58.6-23.1178.2-64.6-174.1108.700113.5R27 L40 T41R27-E37 IonicContact CZ-OE1 3.12Å; R27-E37 IonicContact NE-OE1 2.86Å; R27-E37 PolarHBondContact NE-OE1 2.94Å; R27-E37 IonicContact NH2-OE1 2.69Å; R27-E37 PolarHBondContact NH2-OE1 3.37Å; E37-L40 WeakPolarHBondContact O-CB 3.4Å; E37-L40 PolarHBondContact O-N 3.27Å; E37-T41 PolarHBondContact O-N 3.12Å; E37-T41 PolarHBondContact O-OG1 3.29Å
38K79.3Confident78.9Confident167 Ų16781.2 Ų81.273%0.72642%0.42SS*.Hα-helixtrans-61.8-42.3173.9-66.4-173.6176.6-173.60112.7N36 L40 T41 E42N36-K38 PolarHBondContact O-N 3.45Å; K38-L40 PolarHBondContact O-N 3.09Å; K38-T41 PolarHBondContact O-N 2.84Å; K38-T41 VanDerWaalsContact O-N 3.14Å; K38-E42 PolarHBondContact O-N 2.94Å; K38-E42 VanDerWaalsContact O-N 3.07Å
39F76.4Confident78.7Confident92 Ų9281 Ų8140%0.40442%0.422SS..Hα-helixtrans-66.8-29.5179.4-170.5-92.8000111.3M30 N36 E42 F43M30-F39 HydrophobicContact CE-CD1 3.5Å; M30-F39 HydrophobicContact CE-CE1 3.64Å; M30-F39 HydrophobicContact SD-CD1 3.72Å; M30-F39 HydrophobicContact SD-CE1 4.24Å; N36-F39 WeakPolarHBondContact O-CB 3.3Å; N36-F39 PolarHBondContact O-N 3.17Å; F39-E42 PolarHBondContact O-N 2.89Å; F39-F43 HydrophobicContact CE1-CD2 4.26Å; F39-F43 WeakPolarHBondContact O-CB 3.48Å; F39-F43 PolarHBondContact O-N 3.27Å
40L80.6Confident79Confident22 Ų2285 Ų8512%0.11544%0.442CS..Hα-helixtrans-64.3-43.8173173.7148.7000111.5I26 R27 E37 K38 F43 I44I26-L40 HydrophobicContact CB-CD1 4.06Å; I26-L40 HydrophobicContact CG2-CD1 3.9Å; I26-L40 HydrophobicContact CG2-CG 4.01Å; R27-L40 HydrophobicContact CB-CD1 3.42Å; R27-L40 VanDerWaalsContact CB-CD1 3.42Å; R27-L40 HydrophobicContact CG-CD1 4.11Å; E37-L40 WeakPolarHBondContact O-CB 3.4Å; E37-L40 PolarHBondContact O-N 3.27Å; K38-L40 PolarHBondContact O-N 3.09Å; L40-F43 PolarHBondContact O-N 3.2Å; L40-I44 HydrophobicContact CD2-CD1 3.5Å; L40-I44 HydrophobicContact CD2-CG1 4.43Å; L40-I44 HydrophobicContact CG-CD1 3.96Å; L40-I44 VanDerWaalsContact O-CG1 3.31Å; L40-I44 WeakPolarHBondContact O-CG1 3.34Å; L40-I44 PolarHBondContact O-N 3.11Å
41T81.3Confident79.1Confident72 Ų7286.8 Ų86.844%0.44247%0.466SS..Hα-helixtrans-62.6-47.4177.2-490000110.1E37 K38 F43 I44 E45E37-T41 PolarHBondContact O-N 3.12Å; E37-T41 PolarHBondContact O-OG1 3.29Å; K38-T41 PolarHBondContact O-N 2.84Å; K38-T41 VanDerWaalsContact O-N 3.14Å; T41-F43 VanDerWaalsContact C-N 3.3Å; T41-F43 PolarHBondContact O-N 3.46Å; T41-I44 PolarHBondContact O-N 3.31Å; T41-E45 HydrophobicContact CG2-CG 4.34Å; T41-E45 WeakPolarHBondContact CG2-OE2 3.26Å; T41-E45 WeakPolarHBondContact O-CB 3.49Å; T41-E45 VanDerWaalsContact O-CG 3.31Å; T41-E45 WeakPolarHBondContact O-CG 3.17Å; T41-E45 PolarHBondContact O-N 2.83Å
42E81.2Confident79.4Confident115 Ų11584.5 Ų84.554%0.53746%0.46SS..Hα-helixtrans-60.4-38.3176.2-70.6177.390.100112.6K38 F39 T46K38-E42 PolarHBondContact O-N 2.94Å; K38-E42 VanDerWaalsContact O-N 3.07Å; F39-E42 PolarHBondContact O-N 2.89Å; E42-T46 VanDerWaalsContact O-CB 3.3Å; E42-T46 WeakPolarHBondContact O-CB 3.31Å; E42-T46 PolarHBondContact O-N 2.75Å; E42-T46 PolarHBondContact O-OG1 3.39Å
43F78.4Confident79.6Confident27 Ų2779 Ų7912%0.11844%0.436CS..Hα-helixtrans-66.2-48.1177.9-169.9-93.3000111I26 M30 F39 L40 T41 T46 F47 I55 Y60I26-F43 HydrophobicContact CD1-CD1 4.16Å; I26-F43 HydrophobicContact CD1-CE1 4.38Å; I26-F43 HydrophobicContact CG2-CD1 4.11Å; M30-F43 HydrophobicContact CE-CD2 4.49Å; M30-F43 HydrophobicContact CE-CG 4.4Å; F39-F43 HydrophobicContact CE1-CD2 4.26Å; F39-F43 WeakPolarHBondContact O-CB 3.48Å; F39-F43 PolarHBondContact O-N 3.27Å; L40-F43 PolarHBondContact O-N 3.2Å; T41-F43 VanDerWaalsContact C-N 3.3Å; T41-F43 PolarHBondContact O-N 3.46Å; F43-T46 PolarHBondContact O-N 3.27Å; F43-F47 HydrophobicContact CD1-CD2 4.15Å; F43-F47 AromaticContact CD2-CD2 3.78Å; F43-F47 HydrophobicContact CD2-CD2 3.78Å; F43-F47 AromaticContact CD2-CE2 3.64Å; F43-F47 HydrophobicContact CD2-CE2 3.64Å; F43-F47 HydrophobicContact CE1-CD2 4.06Å; F43-F47 HydrophobicContact CE1-CE2 4.47Å; F43-F47 HydrophobicContact CE1-CG 4.32Å; F43-F47 AromaticContact CE2-CD2 3.67Å; F43-F47 HydrophobicContact CE2-CD2 3.67Å; F43-F47 AromaticContact CE2-CE2 3.3Å; F43-F47 HydrophobicContact CE2-CE2 3.3Å; F43-F47 AromaticContact CE2-CZ 3.9Å; F43-F47 HydrophobicContact CE2-CZ 3.9Å; F43-F47 HydrophobicContact CG-CD2 4.02Å; F43-F47 HydrophobicContact CG-CE2 4.36Å; F43-F47 AromaticContact CZ-CD2 3.81Å; F43-F47 HydrophobicContact CZ-CD2 3.81Å; F43-F47 AromaticContact CZ-CE2 3.78Å; F43-F47 HydrophobicContact CZ-CE2 3.78Å; F43-F47 HydrophobicContact CZ-CG 4.23Å; F43-F47 HydrophobicContact CZ-CZ 4.16Å; F43-F47 WeakPolarHBondContact O-CB 3.29Å; F43-F47 VanDerWaalsContact O-CD2 3.28Å; F43-F47 WeakPolarHBondContact O-CD2 3.39Å; F43-F47 PolarHBondContact O-N 2.93Å; F43-I55 HydrophobicContact CD1-CD1 3.46Å; F43-I55 VanDerWaalsContact CD1-CD1 3.46Å; F43-I55 HydrophobicContact CE1-CD1 3.32Å; F43-I55 HydrophobicContact CZ-CD1 4.46Å; F43-Y60 HydrophobicContact CZ-CE2 4.42Å
44I82.4Confident80.2Confident20 Ų2078.1 Ų78.110%0.10342%0.423CS..Hα-helixtrans-61.4-53.3175.5-64.7172.4000108.9R23 I26 L40 T41 T46 F47 D48R23-I44 HydrophobicContact CB-CD1 3.74Å; I26-I44 HydrophobicContact CD1-CD1 4.25Å; I26-I44 HydrophobicContact CD1-CG1 3.8Å; L40-I44 HydrophobicContact CD2-CD1 3.5Å; L40-I44 HydrophobicContact CD2-CG1 4.43Å; L40-I44 HydrophobicContact CG-CD1 3.96Å; L40-I44 VanDerWaalsContact O-CG1 3.31Å; L40-I44 WeakPolarHBondContact O-CG1 3.34Å; L40-I44 PolarHBondContact O-N 3.11Å; T41-I44 PolarHBondContact O-N 3.31Å; I44-T46 PolarHBondContact O-N 3.36Å; I44-F47 PolarHBondContact O-N 2.97Å; I44-D48 HydrophobicContact CG2-CB 3.66Å; I44-D48 WeakPolarHBondContact O-CA 3.41Å; I44-D48 WeakPolarHBondContact O-CB 3.47Å; I44-D48 PolarHBondContact O-N 3.2Å
45E82.6Confident80.7Confident145 Ų14575 Ų7568%0.67839%0.391SS*.Hα-helixtrans-56.5-24.8179.2-72.5-179.7101.600114.6T41T41-E45 HydrophobicContact CG2-CG 4.34Å; T41-E45 WeakPolarHBondContact CG2-OE2 3.26Å; T41-E45 WeakPolarHBondContact O-CB 3.49Å; T41-E45 VanDerWaalsContact O-CG 3.31Å; T41-E45 WeakPolarHBondContact O-CG 3.17Å; T41-E45 PolarHBondContact O-N 2.83Å
46T80.4Confident81.4Confident82 Ų8271.5 Ų71.550%0.50338%0.379SS..Hα-helixtrans-86.8-36.1177.4-57.60000112.8E42 F43 I44 V63E42-T46 VanDerWaalsContact O-CB 3.3Å; E42-T46 WeakPolarHBondContact O-CB 3.31Å; E42-T46 PolarHBondContact O-N 2.75Å; E42-T46 PolarHBondContact O-OG1 3.39Å; F43-T46 PolarHBondContact O-N 3.27Å; I44-T46 PolarHBondContact O-N 3.36Å; T46-V63 HydrophobicContact CG2-CG1 4.25Å
47F79.9Confident81.6Confident25 Ų2568 Ų6811%0.1136%0.36CS..Hα-helixtrans-102.7-30.2-170.7-78.8-92.3000113.9F43 I44 L49 I55 E59 Y60 V63 L64F43-F47 HydrophobicContact CD1-CD2 4.15Å; F43-F47 AromaticContact CD2-CD2 3.78Å; F43-F47 HydrophobicContact CD2-CD2 3.78Å; F43-F47 AromaticContact CD2-CE2 3.64Å; F43-F47 HydrophobicContact CD2-CE2 3.64Å; F43-F47 HydrophobicContact CE1-CD2 4.06Å; F43-F47 HydrophobicContact CE1-CE2 4.47Å; F43-F47 HydrophobicContact CE1-CG 4.32Å; F43-F47 AromaticContact CE2-CD2 3.67Å; F43-F47 HydrophobicContact CE2-CD2 3.67Å; F43-F47 AromaticContact CE2-CE2 3.3Å; F43-F47 HydrophobicContact CE2-CE2 3.3Å; F43-F47 AromaticContact CE2-CZ 3.9Å; F43-F47 HydrophobicContact CE2-CZ 3.9Å; F43-F47 HydrophobicContact CG-CD2 4.02Å; F43-F47 HydrophobicContact CG-CE2 4.36Å; F43-F47 AromaticContact CZ-CD2 3.81Å; F43-F47 HydrophobicContact CZ-CD2 3.81Å; F43-F47 AromaticContact CZ-CE2 3.78Å; F43-F47 HydrophobicContact CZ-CE2 3.78Å; F43-F47 HydrophobicContact CZ-CG 4.23Å; F43-F47 HydrophobicContact CZ-CZ 4.16Å; F43-F47 WeakPolarHBondContact O-CB 3.29Å; F43-F47 VanDerWaalsContact O-CD2 3.28Å; F43-F47 WeakPolarHBondContact O-CD2 3.39Å; F43-F47 PolarHBondContact O-N 2.93Å; I44-F47 PolarHBondContact O-N 2.97Å; F47-L49 PolarHBondContact O-N 2.7Å; F47-I55 HydrophobicContact CB-CD1 3.45Å; F47-I55 VanDerWaalsContact CB-CD1 3.45Å; F47-I55 HydrophobicContact CB-CG1 3.8Å; F47-I55 HydrophobicContact CB-CG2 3.89Å; F47-I55 HydrophobicContact CG-CD1 4.27Å; F47-E59 WeakPolarHBondContact O-CB 3.3Å; F47-Y60 AromaticContact CD1-CD2 3.6Å; F47-Y60 HydrophobicContact CD1-CD2 3.6Å; F47-Y60 HydrophobicContact CD1-CE2 4.15Å; F47-Y60 AromaticContact CE1-CD2 3.51Å; F47-Y60 HydrophobicContact CE1-CD2 3.51Å; F47-Y60 AromaticContact CE1-CE2 3.63Å; F47-Y60 HydrophobicContact CE1-CE2 3.63Å; F47-Y60 HydrophobicContact CZ-CE2 4.26Å; F47-V63 HydrophobicContact CB-CG2 4.43Å; F47-V63 HydrophobicContact CD1-CB 3.58Å; F47-V63 HydrophobicContact CD1-CG1 3.46Å; F47-V63 VanDerWaalsContact CD1-CG1 3.46Å; F47-V63 HydrophobicContact CD1-CG2 4.05Å; F47-V63 HydrophobicContact CD2-CG1 4.28Å; F47-V63 HydrophobicContact CE1-CB 3.84Å; F47-V63 HydrophobicContact CE1-CG1 3.47Å; F47-V63 VanDerWaalsContact CE1-CG1 3.47Å; F47-V63 HydrophobicContact CE2-CG1 4.29Å; F47-V63 HydrophobicContact CG-CB 4.3Å; F47-V63 HydrophobicContact CG-CG1 3.9Å; F47-V63 HydrophobicContact CG-CG2 4.43Å; F47-V63 HydrophobicContact CZ-CG1 3.91Å; F47-L64 HydrophobicContact CE1-CD2 4.32Å; F47-L64 HydrophobicContact CE1-CG 4.2Å; F47-L64 HydrophobicContact CZ-CD2 4.5Å
48D84.8Confident81.7Confident21 Ų2168.8 Ų68.811%0.11236%0.363CS..  trans-77.895.7174.3-178.98.6000108.3I44 G51 D52 G53 I55I44-D48 HydrophobicContact CG2-CB 3.66Å; I44-D48 WeakPolarHBondContact O-CA 3.41Å; I44-D48 WeakPolarHBondContact O-CB 3.47Å; I44-D48 PolarHBondContact O-N 3.2Å; D48-G51 VanDerWaalsContact CG-CA 3.5Å; D48-G51 WeakPolarHBondContact OD1-CA 3.27Å; D48-G51 PolarHBondContact OD1-N 3.05Å; D48-G51 VanDerWaalsContact OD2-C 3.32Å; D48-G51 VanDerWaalsContact OD2-CA 3.27Å; D48-G51 WeakPolarHBondContact OD2-CA 3.19Å; D48-D52 PolarHBondContact OD1-N 3.45Å; D48-D52 PolarHBondContact OD2-N 2.94Å; D48-G53 VanDerWaalsContact OD2-CA 3.3Å; D48-G53 WeakPolarHBondContact OD2-CA 3.03Å; D48-G53 PolarHBondContact OD2-N 2.74Å; D48-I55 HydrophobicContact CB-CG1 4.43Å
49L79.7Confident81.9Confident103 Ų10361.1 Ų61.154%0.53933%0.33SS..SBendtrans-82.4-25.7-177.8-62.1179.4000111.5F47 E59 K62 V63F47-L49 PolarHBondContact O-N 2.7Å; L49-E59 HydrophobicContact CB-CG 4.21Å; L49-E59 HydrophobicContact CD1-CB 4.45Å; L49-E59 HydrophobicContact CD1-CG 4.31Å; L49-E59 HydrophobicContact CG-CB 4.47Å; L49-E59 HydrophobicContact CG-CG 4.31Å; L49-E59 PolarHBondContact N-OE1 2.76Å; L49-K62 HydrophobicContact CD1-CB 3.81Å; L49-K62 HydrophobicContact CD1-CD 3.83Å; L49-K62 HydrophobicContact CD1-CG 4.49Å; L49-V63 HydrophobicContact CD1-CG2 4.18Å; L49-V63 HydrophobicContact CD2-CG2 3.93Å; L49-V63 HydrophobicContact CG-CG2 4.05Å
50D83.1Confident81.9Confident102 Ų10257.4 Ų57.455%0.54531%0.313SS..SBendtrans-96.8-17.5-179.875.3-119.9000114.4D52 E59D50-D52 WeakPolarHBondContact OD2-CB 3.36Å; D50-D52 VanDerWaalsContact OD2-CG 3.29Å; D50-D52 PolarHBondContact OD2-N 2.58Å; D50-D52 VanDerWaalsContact OD2-N 3.12Å; D50-E59 PolarHBondContact N-OE1 3.21Å
51G81.3Confident81.6Confident58 Ų5859.3 Ų59.360%0.59832%0.321SS*.  trans83.321.217500000114.3D48 G53D48-G51 VanDerWaalsContact CG-CA 3.5Å; D48-G51 WeakPolarHBondContact OD1-CA 3.27Å; D48-G51 PolarHBondContact OD1-N 3.05Å; D48-G51 VanDerWaalsContact OD2-C 3.32Å; D48-G51 VanDerWaalsContact OD2-CA 3.27Å; D48-G51 WeakPolarHBondContact OD2-CA 3.19Å; G51-G53 VanDerWaalsContact C-N 3.32Å
52D85Confident81.4Confident87 Ų8760.7 Ų60.747%0.46532%0.321SS..SBendtrans-79.6-12.8178.876.1-7.1000113.6D48 D50 E54D48-D52 PolarHBondContact OD1-N 3.45Å; D48-D52 PolarHBondContact OD2-N 2.94Å; D50-D52 WeakPolarHBondContact OD2-CB 3.36Å; D50-D52 VanDerWaalsContact OD2-CG 3.29Å; D50-D52 PolarHBondContact OD2-N 2.58Å; D50-D52 VanDerWaalsContact OD2-N 3.12Å; D52-E54 WeakPolarHBondContact OD1-CA 3.41Å; D52-E54 WeakPolarHBondContact OD1-CB 3.47Å; D52-E54 PolarHBondContact OD1-N 2.72Å
53G81.8Confident80.9Confident20 Ų2056.8 Ų56.821%0.20631%0.305CS..SBendtrans83.511.8-177.400000114.5R23 D48 G51R23-G53 PolarHBondContact N-O 3.23Å; D48-G53 VanDerWaalsContact OD2-CA 3.3Å; D48-G53 WeakPolarHBondContact OD2-CA 3.03Å; D48-G53 PolarHBondContact OD2-N 2.74Å; G51-G53 VanDerWaalsContact C-N 3.32Å
54E85.7Confident80.4Confident65 Ų6558.4 Ų58.430%0.30432%0.315SS..EExtended strand (participates in β ladder)trans-118.3156.2169.3-48.7-159.668.700108.9T20 L21 S22 D52T20-E54 PolarHBondContact OG1-OE1 2.76Å; L21-E54 WeakPolarHBondContact O-CA 3.43Å; S22-E54 WeakPolarHBondContact CB-OE1 3.45Å; S22-E54 PolarHBondContact OG-OE1 2.99Å; D52-E54 WeakPolarHBondContact OD1-CA 3.41Å; D52-E54 WeakPolarHBondContact OD1-CB 3.47Å; D52-E54 PolarHBondContact OD1-N 2.72Å
55I85.7Confident79.4Confident0 Ų060.3 Ų60.30%033%0.325CS..EExtended strand (participates in β ladder)trans-117.7107.2175-60163.3000106.9F10 T20 L21 I26 F43 F47 D48 E59 Y60F10-I55 WeakPolarHBondContact CE2-O 3.44Å; F10-I55 WeakPolarHBondContact CZ-O 3.43Å; T20-I55 CarbonylContact C-O 3.56Å; T20-I55 WeakPolarHBondContact CA-O 3.4Å; L21-I55 HydrophobicContact CB-CB 4.26Å; L21-I55 PolarHBondContact N-O 3.34Å; L21-I55 PolarHBondContact O-N 2.73Å; I26-I55 HydrophobicContact CD1-CD1 3.59Å; I26-I55 HydrophobicContact CD1-CG1 4.3Å; F43-I55 HydrophobicContact CD1-CD1 3.46Å; F43-I55 VanDerWaalsContact CD1-CD1 3.46Å; F43-I55 HydrophobicContact CE1-CD1 3.32Å; F43-I55 HydrophobicContact CZ-CD1 4.46Å; F47-I55 HydrophobicContact CB-CD1 3.45Å; F47-I55 VanDerWaalsContact CB-CD1 3.45Å; F47-I55 HydrophobicContact CB-CG1 3.8Å; F47-I55 HydrophobicContact CB-CG2 3.89Å; F47-I55 HydrophobicContact CG-CD1 4.27Å; D48-I55 HydrophobicContact CB-CG1 4.43Å; I55-E59 HydrophobicContact CG2-CB 4.36Å; I55-Y60 HydrophobicContact CG2-CD2 4.5Å
56T86.4Confident78Confident36 Ų3657.3 Ų57.322%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-70.7156.2174.563.80000110.7T20 E58 E59 Y60T20-T56 HydrophobicContact CG2-CG2 3.87Å; T56-E58 PolarHBondContact O-N 3.2Å; T56-E59 WeakPolarHBondContact CB-OE2 3.39Å; T56-E59 PolarHBondContact N-OE2 3.18Å; T56-E59 PolarHBondContact O-N 2.9Å; T56-E59 VanDerWaalsContact O-N 3.15Å; T56-E59 WeakPolarHBondContact OG1-CG 3.31Å; T56-E59 PolarHBondContact OG1-N 2.79Å; T56-E59 PolarHBondContact OG1-OE2 2.88Å; T56-Y60 PolarHBondContact O-N 2.87Å
57L79.5Confident76.5Confident56 Ų5655.1 Ų55.129%0.29330%0.299SS..Hα-helixtrans-54.6-40.1173.9-177.5153.2000111.5L7 F10 G19 E59 Y60 E61L7-L57 HydrophobicContact CD1-CD1 3.36Å; L7-L57 HydrophobicContact CD1-CG 4.48Å; F10-L57 HydrophobicContact CZ-CB 4.31Å; G19-L57 PolarHBondContact O-N 2.83Å; L57-E59 PolarHBondContact O-N 3.4Å; L57-Y60 WeakPolarHBondContact O-CB 3.42Å; L57-Y60 PolarHBondContact O-N 3.1Å; L57-E61 HydrophobicContact CD2-CG 4.17Å; L57-E61 WeakPolarHBondContact CD2-OE2 3.49Å; L57-E61 WeakPolarHBondContact O-CG 3.47Å; L57-E61 PolarHBondContact O-N 3.02Å
58E80Confident74.9Confident129 Ų12957.7 Ų57.760%0.60332%0.319SS*.Hα-helixtrans-62.8-41.4177.5-72.7-175.769.500112.6T56 E61 K62T56-E58 PolarHBondContact O-N 3.2Å; E58-E61 PolarHBondContact O-N 3.34Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.35Å; E58-K62 PolarHBondContact O-N 3.32Å
59E83.7Confident73Confident6 Ų664.2 Ų64.23%0.02835%0.346CS..Hα-helixtrans-67.9-42.1176.1-71.9172.6108.800111.8F47 L49 D50 I55 T56 L57 E61 K62 V63F47-E59 WeakPolarHBondContact O-CB 3.3Å; L49-E59 HydrophobicContact CB-CG 4.21Å; L49-E59 HydrophobicContact CD1-CB 4.45Å; L49-E59 HydrophobicContact CD1-CG 4.31Å; L49-E59 HydrophobicContact CG-CB 4.47Å; L49-E59 HydrophobicContact CG-CG 4.31Å; L49-E59 PolarHBondContact N-OE1 2.76Å; D50-E59 PolarHBondContact N-OE1 3.21Å; I55-E59 HydrophobicContact CG2-CB 4.36Å; T56-E59 WeakPolarHBondContact CB-OE2 3.39Å; T56-E59 PolarHBondContact N-OE2 3.18Å; T56-E59 PolarHBondContact O-N 2.9Å; T56-E59 VanDerWaalsContact O-N 3.15Å; T56-E59 WeakPolarHBondContact OG1-CG 3.31Å; T56-E59 PolarHBondContact OG1-N 2.79Å; T56-E59 PolarHBondContact OG1-OE2 2.88Å; L57-E59 PolarHBondContact O-N 3.4Å; E59-E61 VanDerWaalsContact C-N 3.31Å; E59-E61 PolarHBondContact O-N 2.85Å; E59-K62 PolarHBondContact O-N 2.85Å; E59-V63 WeakPolarHBondContact O-CB 3.45Å; E59-V63 WeakPolarHBondContact O-CG2 3.3Å; E59-V63 PolarHBondContact O-N 3.39Å
60Y77Confident71.6Confident15 Ų1566.3 Ų66.36%0.05935%0.353CS..Hα-helixtrans-56.8-46.3174.3-170.3-110.9000111.2L6 F10 F43 F47 I55 T56 L57 V63 L64L6-Y60 HydrophobicContact CB-CE1 4.05Å; L6-Y60 HydrophobicContact CD2-CE1 4.49Å; F10-Y60 HydrophobicContact CB-CD1 4.4Å; F10-Y60 HydrophobicContact CB-CE1 4.31Å; F10-Y60 AromaticContact CD2-CD1 3.88Å; F10-Y60 HydrophobicContact CD2-CD1 3.88Å; F10-Y60 HydrophobicContact CD2-CD2 4.36Å; F10-Y60 HydrophobicContact CD2-CE1 4.42Å; F10-Y60 AromaticContact CD2-CG 3.85Å; F10-Y60 HydrophobicContact CD2-CG 3.85Å; F10-Y60 HydrophobicContact CE2-CG 4.37Å; F43-Y60 HydrophobicContact CZ-CE2 4.42Å; F47-Y60 AromaticContact CD1-CD2 3.6Å; F47-Y60 HydrophobicContact CD1-CD2 3.6Å; F47-Y60 HydrophobicContact CD1-CE2 4.15Å; F47-Y60 AromaticContact CE1-CD2 3.51Å; F47-Y60 HydrophobicContact CE1-CD2 3.51Å; F47-Y60 AromaticContact CE1-CE2 3.63Å; F47-Y60 HydrophobicContact CE1-CE2 3.63Å; F47-Y60 HydrophobicContact CZ-CE2 4.26Å; I55-Y60 HydrophobicContact CG2-CD2 4.5Å; T56-Y60 PolarHBondContact O-N 2.87Å; L57-Y60 WeakPolarHBondContact O-CB 3.42Å; L57-Y60 PolarHBondContact O-N 3.1Å; Y60-V63 PolarHBondContact O-N 2.81Å; Y60-L64 HydrophobicContact CD1-CD1 3.47Å; Y60-L64 VanDerWaalsContact CD1-CD1 3.47Å; Y60-L64 HydrophobicContact CD2-CD1 4.21Å; Y60-L64 HydrophobicContact CE1-CD1 3.15Å; Y60-L64 HydrophobicContact CE1-CG 4.37Å; Y60-L64 HydrophobicContact CE2-CD1 3.91Å; Y60-L64 HydrophobicContact CE2-CG 4.41Å; Y60-L64 HydrophobicContact CG-CD1 4Å; Y60-L64 VanDerWaalsContact O-CB 3.26Å; Y60-L64 WeakPolarHBondContact O-CB 3.28Å; Y60-L64 WeakPolarHBondContact O-CD1 3.11Å; Y60-L64 WeakPolarHBondContact O-CG 3.3Å; Y60-L64 PolarHBondContact O-N 3.22Å
61E74.5Confident70.1Confident61 Ų6167.5 Ų67.529%0.28536%0.356SS..Hα-helixtrans-64.8-40.8176.1-72.3-173.9122.400113.2L57 E58 E59 N65L57-E61 HydrophobicContact CD2-CG 4.17Å; L57-E61 WeakPolarHBondContact CD2-OE2 3.49Å; L57-E61 WeakPolarHBondContact O-CG 3.47Å; L57-E61 PolarHBondContact O-N 3.02Å; E58-E61 PolarHBondContact O-N 3.34Å; E59-E61 VanDerWaalsContact C-N 3.31Å; E59-E61 PolarHBondContact O-N 2.85Å; E61-N65 PolarHBondContact O-N 3.03Å
62K76.2Confident68.4Low101 Ų10171 Ų7144%0.43935%0.354SS..Hα-helixtrans-61.5-46.7175.3-79.1172.4-177.8168.20111.5L49 E58 E59 N65 V67L49-K62 HydrophobicContact CD1-CB 3.81Å; L49-K62 HydrophobicContact CD1-CD 3.83Å; L49-K62 HydrophobicContact CD1-CG 4.49Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.35Å; E58-K62 PolarHBondContact O-N 3.32Å; E59-K62 PolarHBondContact O-N 2.85Å; K62-N65 WeakPolarHBondContact O-CA 3.35Å; K62-N65 PolarHBondContact O-N 2.96Å; K62-N65 VanDerWaalsContact O-N 3.09Å; K62-V67 WeakPolarHBondContact O-CG2 3.38Å
63V71.9Confident66.6Low34 Ų3472.5 Ų72.521%0.20636%0.358CS..Hα-helixtrans-69.9-39.8-177.4175.90000110.9T46 F47 L49 E59 Y60 N65T46-V63 HydrophobicContact CG2-CG1 4.25Å; F47-V63 HydrophobicContact CB-CG2 4.43Å; F47-V63 HydrophobicContact CD1-CB 3.58Å; F47-V63 HydrophobicContact CD1-CG1 3.46Å; F47-V63 VanDerWaalsContact CD1-CG1 3.46Å; F47-V63 HydrophobicContact CD1-CG2 4.05Å; F47-V63 HydrophobicContact CD2-CG1 4.28Å; F47-V63 HydrophobicContact CE1-CB 3.84Å; F47-V63 HydrophobicContact CE1-CG1 3.47Å; F47-V63 VanDerWaalsContact CE1-CG1 3.47Å; F47-V63 HydrophobicContact CE2-CG1 4.29Å; F47-V63 HydrophobicContact CG-CB 4.3Å; F47-V63 HydrophobicContact CG-CG1 3.9Å; F47-V63 HydrophobicContact CG-CG2 4.43Å; F47-V63 HydrophobicContact CZ-CG1 3.91Å; L49-V63 HydrophobicContact CD1-CG2 4.18Å; L49-V63 HydrophobicContact CD2-CG2 3.93Å; L49-V63 HydrophobicContact CG-CG2 4.05Å; E59-V63 WeakPolarHBondContact O-CB 3.45Å; E59-V63 WeakPolarHBondContact O-CG2 3.3Å; E59-V63 PolarHBondContact O-N 3.39Å; Y60-V63 PolarHBondContact O-N 2.81Å; V63-N65 PolarHBondContact O-N 2.83Å; V63-N65 VanDerWaalsContact O-N 3.11Å
64L67.4Low65Low61 Ų6174.1 Ų74.132%0.31937%0.37SS..THydrogen-bonded Turntrans-68.9-2.8172.6-69.4174.1000114L6 F47 Y60 I66L6-L64 HydrophobicContact CB-CD1 4.13Å; L6-L64 HydrophobicContact CD1-CB 4.33Å; L6-L64 HydrophobicContact CD1-CD1 3.69Å; L6-L64 HydrophobicContact CD2-CD1 3.4Å; L6-L64 VanDerWaalsContact CD2-CD1 3.4Å; L6-L64 HydrophobicContact CD2-CD2 4.43Å; L6-L64 HydrophobicContact CD2-CG 4.48Å; L6-L64 HydrophobicContact CG-CD1 3.88Å; F47-L64 HydrophobicContact CE1-CD2 4.32Å; F47-L64 HydrophobicContact CE1-CG 4.2Å; F47-L64 HydrophobicContact CZ-CD2 4.5Å; Y60-L64 HydrophobicContact CD1-CD1 3.47Å; Y60-L64 VanDerWaalsContact CD1-CD1 3.47Å; Y60-L64 HydrophobicContact CD2-CD1 4.21Å; Y60-L64 HydrophobicContact CE1-CD1 3.15Å; Y60-L64 HydrophobicContact CE1-CG 4.37Å; Y60-L64 HydrophobicContact CE2-CD1 3.91Å; Y60-L64 HydrophobicContact CE2-CG 4.41Å; Y60-L64 HydrophobicContact CG-CD1 4Å; Y60-L64 VanDerWaalsContact O-CB 3.26Å; Y60-L64 WeakPolarHBondContact O-CB 3.28Å; Y60-L64 WeakPolarHBondContact O-CD1 3.11Å; Y60-L64 WeakPolarHBondContact O-CG 3.3Å; Y60-L64 PolarHBondContact O-N 3.22Å; L64-I66 PolarHBondContact O-N 3.39Å
65N61.1Low63.4Low60 Ų6074.1 Ų74.132%0.32138%0.381SS..THydrogen-bonded Turntrans60.845.2162.3-158.796.2000112.7E61 K62 V63 V67 K72E61-N65 PolarHBondContact O-N 3.03Å; K62-N65 WeakPolarHBondContact O-CA 3.35Å; K62-N65 PolarHBondContact O-N 2.96Å; K62-N65 VanDerWaalsContact O-N 3.09Å; V63-N65 PolarHBondContact O-N 2.83Å; V63-N65 VanDerWaalsContact O-N 3.11Å; N65-V67 PolarHBondContact ND2-O 3.28Å; N65-V67 VanDerWaalsContact ND2-O 3.12Å; N65-V67 PolarHBondContact O-N 2.98Å; N65-K72 VanDerWaalsContact OD1-CE 3.31Å; N65-K72 WeakPolarHBondContact OD1-CE 3.31Å; N65-K72 PolarHBondContact OD1-NZ 3.14Å
66I52.1Low61.9Low81 Ų8177.1 Ų77.142%0.41541%0.406SS..  trans-69.7-9.4151.3-45.1179.8000109.7E3 L6 L64E3-I66 HydrophobicContact CG-CD1 3.71Å; L6-I66 HydrophobicContact CD1-CD1 4.07Å; L64-I66 PolarHBondContact O-N 3.39Å
67V49.6Very low60.3Low36 Ų3681.9 Ų81.922%0.21842%0.42CS..SBendtrans-72.5125.7165.9-80.90000111.1K62 N65K62-V67 WeakPolarHBondContact O-CG2 3.38Å; N65-V67 PolarHBondContact ND2-O 3.28Å; N65-V67 VanDerWaalsContact ND2-O 3.12Å; N65-V67 PolarHBondContact O-N 2.98Å
68P47Very low59.1Low79 Ų7988.6 Ų88.651%0.51344%0.441SS..  trans-58149.9175.923.8-31.6000110.4E70 E71P68-E70 PolarHBondContact O-N 2.7Å; P68-E71 PolarHBondContact O-N 2.91Å
69K45.5Very low58.1Low159 Ų15986.8 Ų86.869%0.69144%0.443SS*.THydrogen-bonded Turntrans-44-23.7-179.7-103.3-178.7171.9-175.60114.8E71 K72 E73K69-E71 VanDerWaalsContact C-N 3.34Å; K69-E71 PolarHBondContact O-N 2.88Å; K69-K72 PolarHBondContact O-N 3.01Å; K69-E73 PolarHBondContact O-N 3.07Å
70E48.7Very low57Low147 Ų14789.4 Ų89.469%0.68746%0.459SS*.Hα-helixtrans-57.8-32.7-178.5-78.3151.184.300114.8P68 A74P68-E70 PolarHBondContact O-N 2.7Å; E70-A74 WeakPolarHBondContact O-CB 3.35Å; E70-A74 PolarHBondContact O-N 3Å
71E51.8Low56Low127 Ų12791.8 Ų91.859%0.59347%0.47SS*.Hα-helixtrans-77.4-33.2177.3-88.4-169.479.800113.6P68 K69 E73 A74 A75P68-E71 PolarHBondContact O-N 2.91Å; K69-E71 VanDerWaalsContact C-N 3.34Å; K69-E71 PolarHBondContact O-N 2.88Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E71-A74 PolarHBondContact O-N 3.4Å; E71-A75 PolarHBondContact O-N 3.49Å
72K45.9Very low55.2Low132 Ų13295.4 Ų95.457%0.57449%0.491SS*.Hα-helixtrans-69.6-33.2174.3-80.1-179.1175.1160.80111.7N65 K69N65-K72 VanDerWaalsContact OD1-CE 3.31Å; N65-K72 WeakPolarHBondContact OD1-CE 3.31Å; N65-K72 PolarHBondContact OD1-NZ 3.14Å; K69-K72 PolarHBondContact O-N 3.01Å
73E46.6Very low54.5Low117 Ų11799.5 Ų99.555%0.54751%0.505SS..Hα-helixtrans-73.4-34.8172.2-66.8-172.586.700111.5K69 E71 A75 A76 W77K69-E73 PolarHBondContact O-N 3.07Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E73-A75 PolarHBondContact O-N 3.34Å; E73-A76 PolarHBondContact O-N 3.28Å; E73-W77 WeakPolarHBondContact O-CB 3.37Å; E73-W77 PolarHBondContact O-N 3.3Å
74A49.1Very low53.7Low54 Ų54103.8 Ų103.845%0.44652%0.524SS..Hα-helixtrans-64.4-35.1177.600000113.8E70 E71 R78E70-A74 WeakPolarHBondContact O-CB 3.35Å; E70-A74 PolarHBondContact O-N 3Å; E71-A74 PolarHBondContact O-N 3.4Å; A74-R78 VanDerWaalsContact O-CB 3.32Å; A74-R78 WeakPolarHBondContact O-CB 3.28Å; A74-R78 PolarHBondContact O-N 3.32Å
75A52.7Low53.4Low65 Ų65102.2 Ų102.254%0.53752%0.517SS..Hα-helixtrans-71.4-39.3176.600000112.6E71 E73E71-A75 PolarHBondContact O-N 3.49Å; E73-A75 PolarHBondContact O-N 3.34Å
76A53.6Low53.4Low64 Ų64108.4 Ų108.453%0.52954%0.54SS..Hα-helixtrans-71.9-41.4175.300000111.9E73 R78 S79 V80E73-A76 PolarHBondContact O-N 3.28Å; A76-R78 VanDerWaalsContact C-N 3.32Å; A76-R78 PolarHBondContact O-N 2.91Å; A76-S79 PolarHBondContact O-N 3.05Å; A76-V80 PolarHBondContact O-N 3.14Å
77W51.8Low54.2Low136 Ų136111 Ų11152%0.51556%0.556SS.*Hα-helixtrans-68.4-27.5173.6-108.7127.9000112.1E73 S79 V80 F81 M84E73-W77 WeakPolarHBondContact O-CB 3.37Å; E73-W77 PolarHBondContact O-N 3.3Å; W77-S79 VanDerWaalsContact C-N 3.31Å; W77-S79 PolarHBondContact O-N 3.28Å; W77-V80 HydrophobicContact CD2-CB 4.49Å; W77-V80 HydrophobicContact CE3-CB 3.57Å; W77-V80 HydrophobicContact CE3-CG1 3.81Å; W77-V80 HydrophobicContact CH2-CB 4.5Å; W77-V80 HydrophobicContact CH2-CG1 3.85Å; W77-V80 HydrophobicContact CZ3-CB 3.59Å; W77-V80 HydrophobicContact CZ3-CG1 3.24Å; W77-V80 PolarHBondContact O-N 3.34Å; W77-F81 HydrophobicContact CE3-CB 4.36Å; W77-F81 WeakPolarHBondContact O-CA 3.2Å; W77-F81 WeakPolarHBondContact O-CB 3.48Å; W77-F81 PolarHBondContact O-N 2.93Å; W77-M84 HydrophobicContact CH2-SD 4.4Å; W77-M84 HydrophobicContact CZ3-SD 4.26Å
78R55.3Low54.6Low197 Ų197116.6 Ų116.674%0.74358%0.584SS**Hα-helixtrans-61.2-38.6174.3-109.3177.8155.1-175.8-5.5112.9A74 A76 N82A74-R78 VanDerWaalsContact O-CB 3.32Å; A74-R78 WeakPolarHBondContact O-CB 3.28Å; A74-R78 PolarHBondContact O-N 3.32Å; A76-R78 VanDerWaalsContact C-N 3.32Å; A76-R78 PolarHBondContact O-N 2.91Å; R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 PolarHBondContact O-N 3.35Å
79S57.8Low55.5Low90 Ų90115.9 Ų115.963%0.62958%0.581SS**Hα-helixtrans-72.7-35.8177.9-68.70000112.6A76 W77 Y83A76-S79 PolarHBondContact O-N 3.05Å; W77-S79 VanDerWaalsContact C-N 3.31Å; W77-S79 PolarHBondContact O-N 3.28Å; S79-Y83 WeakPolarHBondContact O-CB 3.11Å; S79-Y83 PolarHBondContact O-N 2.98Å
80V60.5Low56.1Low61 Ų61110.9 Ų110.937%0.3758%0.575SS.*Hα-helixtrans-76.8-36175.7-174.30000110.9A76 W77 Y83 M84A76-V80 PolarHBondContact O-N 3.14Å; W77-V80 HydrophobicContact CD2-CB 4.49Å; W77-V80 HydrophobicContact CE3-CB 3.57Å; W77-V80 HydrophobicContact CE3-CG1 3.81Å; W77-V80 HydrophobicContact CH2-CB 4.5Å; W77-V80 HydrophobicContact CH2-CG1 3.85Å; W77-V80 HydrophobicContact CZ3-CB 3.59Å; W77-V80 HydrophobicContact CZ3-CG1 3.24Å; W77-V80 PolarHBondContact O-N 3.34Å; V80-Y83 PolarHBondContact O-N 3.22Å; V80-M84 HydrophobicContact CG1-CE 4.05Å; V80-M84 HydrophobicContact CG1-SD 4Å; V80-M84 WeakPolarHBondContact O-CB 3.38Å; V80-M84 WeakPolarHBondContact O-CG 3.3Å; V80-M84 PolarHBondContact O-N 3.27Å
81F56.1Low56.3Low65 Ų65111 Ų11129%0.28557%0.573SS.*Hα-helixtrans-67-42.1175.3-170.6-81.8000110.9W77 Y83 M84 D85 I92W77-F81 HydrophobicContact CE3-CB 4.36Å; W77-F81 WeakPolarHBondContact O-CA 3.2Å; W77-F81 WeakPolarHBondContact O-CB 3.48Å; W77-F81 PolarHBondContact O-N 2.93Å; F81-Y83 VanDerWaalsContact C-N 3.26Å; F81-Y83 PolarHBondContact O-N 2.77Å; F81-M84 PolarHBondContact O-N 2.83Å; F81-D85 HydrophobicContact CD1-CB 4.08Å; F81-D85 HydrophobicContact CE1-CB 3.96Å; F81-D85 WeakPolarHBondContact O-CB 3.46Å; F81-D85 PolarHBondContact O-N 3.35Å; F81-I92 HydrophobicContact CD2-CD1 3.29Å; F81-I92 HydrophobicContact CD2-CG1 3.87Å; F81-I92 HydrophobicContact CE2-CB 4.36Å; F81-I92 HydrophobicContact CE2-CD1 3.38Å; F81-I92 HydrophobicContact CE2-CG1 3.44Å; F81-I92 VanDerWaalsContact CE2-CG1 3.44Å; F81-I92 HydrophobicContact CG-CD1 4.43Å; F81-I92 HydrophobicContact CZ-CG1 4.27Å
82N58.9Low56.4Low138 Ų138108.9 Ų108.974%0.73857%0.565SS**Hα-helixtrans-72.5-20.5176-160.762000112.9R78R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 PolarHBondContact O-N 3.35Å
83Y60.3Low56.6Low186 Ų186105.4 Ų105.473%0.72956%0.557SS**Hα-helixtrans-81.2-29.8170.4-174.3-101.6000112.5S79 V80 F81S79-Y83 WeakPolarHBondContact O-CB 3.11Å; S79-Y83 PolarHBondContact O-N 2.98Å; V80-Y83 PolarHBondContact O-N 3.22Å; F81-Y83 VanDerWaalsContact C-N 3.26Å; F81-Y83 PolarHBondContact O-N 2.77Å
84M56.3Low57.1Low124 Ų124106 Ų10661%0.61157%0.569SS**Hα-helixtrans-93.9-26.7-178.8-72.5-176.7173.100114.1W77 V80 F81 K86W77-M84 HydrophobicContact CH2-SD 4.4Å; W77-M84 HydrophobicContact CZ3-SD 4.26Å; V80-M84 HydrophobicContact CG1-CE 4.05Å; V80-M84 HydrophobicContact CG1-SD 4Å; V80-M84 WeakPolarHBondContact O-CB 3.38Å; V80-M84 WeakPolarHBondContact O-CG 3.3Å; V80-M84 PolarHBondContact O-N 3.27Å; F81-M84 PolarHBondContact O-N 2.83Å; M84-K86 VanDerWaalsContact C-N 3.27Å; M84-K86 PolarHBondContact O-N 2.69Å
85D61.8Low57.2Low29 Ų29108.3 Ų108.316%0.15558%0.581CS.*  trans-83.364.4178.4-160.4-103.3000110.5F81 D87 N88 S89 G90F81-D85 HydrophobicContact CD1-CB 4.08Å; F81-D85 HydrophobicContact CE1-CB 3.96Å; F81-D85 WeakPolarHBondContact O-CB 3.46Å; F81-D85 PolarHBondContact O-N 3.35Å; D85-D87 PolarHBondContact O-N 2.86Å; D85-N88 VanDerWaalsContact OD1-C 3.31Å; D85-N88 WeakPolarHBondContact OD1-CA 3.48Å; D85-N88 PolarHBondContact OD1-N 3.27Å; D85-S89 PolarHBondContact OD1-N 3.44Å; D85-G90 PolarHBondContact OD1-N 3.06Å; D85-G90 PolarHBondContact OD2-N 3.49Å
86K60Low57.1Low189 Ų189112.9 Ų112.982%0.82259%0.592SS**THydrogen-bonded Turntrans-65.2-13.1176.1-84.4-172.7178.81770113.9M84M84-K86 VanDerWaalsContact C-N 3.27Å; M84-K86 PolarHBondContact O-N 2.69Å
87D68.3Low57.1Low137 Ų137115.4 Ų115.473%0.73360%0.6SS**THydrogen-bonded Turntrans-108.26.6-173.8-156.4-121000114D85 S89D85-D87 PolarHBondContact O-N 2.86Å; D87-S89 PolarHBondContact O-N 3.01Å; D87-S89 VanDerWaalsContact O-N 3.08Å
88N58.3Low56.8Low153 Ų153115.7 Ų115.782%0.81861%0.61SS**  trans51.830.2-176.7-83.3-92.7000113.2D85 G90D85-N88 VanDerWaalsContact OD1-C 3.31Å; D85-N88 WeakPolarHBondContact OD1-CA 3.48Å; D85-N88 PolarHBondContact OD1-N 3.27Å; N88-G90 VanDerWaalsContact C-N 3.3Å; N88-G90 PolarHBondContact O-N 3.44Å
89S66.3Low56.5Low63 Ų63118.1 Ų118.144%0.44164%0.635SS.*  trans-78.8-21.3-173.3-174.50000111.2D85 D87 K91D85-S89 PolarHBondContact OD1-N 3.44Å; D87-S89 PolarHBondContact O-N 3.01Å; D87-S89 VanDerWaalsContact O-N 3.08Å; S89-K91 PolarHBondContact O-N 2.94Å
90G58.4Low56.4Low55 Ų55119.5 Ų119.557%0.56764%0.636SS**  trans59.917.5178.800000112.9D85 N88D85-G90 PolarHBondContact OD1-N 3.06Å; D85-G90 PolarHBondContact OD2-N 3.49Å; N88-G90 VanDerWaalsContact C-N 3.3Å; N88-G90 PolarHBondContact O-N 3.44Å
91K52.4Low56.2Low148 Ų148122.6 Ų122.664%0.64365%0.65SS**  trans-147.7102.5-175.3-67.4-178.3-176.5177.10108.4S89 S93S89-K91 PolarHBondContact O-N 2.94Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 3.3Å
92I54.9Low56.2Low83 Ų83125.8 Ų125.843%0.42667%0.67SS.*  trans-69.896.9157.4-65.6168.7000105.6F81F81-I92 HydrophobicContact CD2-CD1 3.29Å; F81-I92 HydrophobicContact CD2-CG1 3.87Å; F81-I92 HydrophobicContact CE2-CB 4.36Å; F81-I92 HydrophobicContact CE2-CD1 3.38Å; F81-I92 HydrophobicContact CE2-CG1 3.44Å; F81-I92 VanDerWaalsContact CE2-CG1 3.44Å; F81-I92 HydrophobicContact CG-CD1 4.43Å; F81-I92 HydrophobicContact CZ-CG1 4.27Å
93S50Low56Low60 Ų60125.1 Ų125.142%0.4267%0.666SS.*  trans-72.5135.7171.8-73.40000108.2K91 S95 E96K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 3.3Å; S93-S95 PolarHBondContact O-N 3.5Å; S93-E96 PolarHBondContact O-N 2.89Å
94V55.8Low55.8Low129 Ų129121.3 Ų121.378%0.78266%0.662SS**THydrogen-bonded Turntrans-59.13.8177-62.90000114.3
95S51.7Low55.7Low102 Ų102121.1 Ų121.171%0.71367%0.665SS**THydrogen-bonded Turntrans-84.5-10.5170.4-480000113.5S93S93-S95 PolarHBondContact O-N 3.5Å
96E51.6Low55.3Low162 Ų162127.6 Ų127.676%0.75770%0.702SS**SBendtrans-95.12.2174.8-75-168.291.900114S93S93-E96 PolarHBondContact O-N 2.89Å
97V52.3Low54.9Low117 Ų117122.9 Ų122.971%0.70969%0.693SS**SBendtrans-112.255.5176-175.20000109.7
98I47.1Very low53.8Low142 Ų142121.8 Ų121.873%0.72869%0.689SS**  trans-147.483.6166.7-50.8176.6000109.1
99I47.1Very low53.4Low247 Ų247118.9 Ų118.9100%1.26768%0.677SS**  -147.60126.8-49.1-176.8000107.5

Retrieved 99 of 99 residues in 31.9 ms (Link to these results)

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