A0A077ZI71_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZI71, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 101 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
1M30.8Very low44.9Very low227 Ų22795.5 Ų95.5100%1.11846%0.455SS*.  0108.50-172.2172.5-171.500105.7V3M1-V3 PolarHBondContact O-N 2.97Å
2F32.5Very low44.9Very low166 Ų16689.2 Ų89.273%0.72843%0.434SS*.  trans-74.5111.2172.8-65.1-80.7000105.9F4F2-F4 HydrophobicContact CB-CE2 4.36Å; F2-F4 HydrophobicContact CB-CZ 4.36Å; F2-F4 WeakPolarHBondContact O-CD2 3.41Å; F2-F4 PolarHBondContact O-N 3.33Å; F2-F4 VanDerWaalsContact O-N 3.12Å
3V35.4Very low44.8Very low103 Ų10387.5 Ų87.562%0.62444%0.444SS*.  trans-71.2105.8169-176.10000104.6M1 E5M1-V3 PolarHBondContact O-N 2.97Å; V3-E5 HydrophobicContact CG1-CB 4.15Å; V3-E5 PolarHBondContact O-N 3.25Å
4F37.7Very low44.7Very low139 Ų13981.9 Ų81.961%0.6142%0.415SS*.  trans-74.468.9172.3-64.1-85000108F2 L6 N68F2-F4 HydrophobicContact CB-CE2 4.36Å; F2-F4 HydrophobicContact CB-CZ 4.36Å; F2-F4 WeakPolarHBondContact O-CD2 3.41Å; F2-F4 PolarHBondContact O-N 3.33Å; F2-F4 VanDerWaalsContact O-N 3.12Å; F4-L6 PolarHBondContact O-N 3.01Å; F4-N68 WeakPolarHBondContact CD1-OD1 3.23Å; F4-N68 WeakPolarHBondContact CE1-OD1 3.3Å
5E47.5Very low44.5Very low100 Ų10078.1 Ų78.147%0.46740%0.395SS..  trans-79.3106.4175.1-150.4165.1169.500107.9V3 V7 I66 F101V3-E5 HydrophobicContact CG1-CB 4.15Å; V3-E5 PolarHBondContact O-N 3.25Å; E5-V7 PolarHBondContact O-N 3.09Å; E5-V7 VanDerWaalsContact O-N 3.13Å; E5-I66 VanDerWaalsContact O-O 3.06Å; E5-F101 HydrophobicContact CG-CE1 4.37Å; E5-F101 WeakPolarHBondContact OE2-CE1 3.27Å
6L47.3Very low44.3Very low99 Ų9983.7 Ų83.752%0.51842%0.419SS..  trans-72.9101.4173.1-83.6152.7000108F4 R8 Y42 M65 A67F4-L6 PolarHBondContact O-N 3.01Å; L6-R8 PolarHBondContact O-N 2.87Å; L6-Y42 HydrophobicContact CD2-CD2 4.16Å; L6-Y42 HydrophobicContact CD2-CE2 4.5Å; L6-M65 HydrophobicContact CD2-CB 3.69Å; L6-M65 HydrophobicContact CD2-SD 4.17Å; L6-A67 HydrophobicContact CD2-CB 4.45Å
7V51.1Low44Very low2 Ų283.4 Ų83.41%0.01243%0.427CS..EExtended strand (participates in β ladder)trans-85.5102.6178.2-164.70000109.4E5 L9 M65 I66 F69 M97 K100 F101E5-V7 PolarHBondContact O-N 3.09Å; E5-V7 VanDerWaalsContact O-N 3.13Å; V7-L9 PolarHBondContact O-N 2.83Å; V7-M65 WeakPolarHBondContact O-CA 3.28Å; V7-I66 PolarHBondContact N-O 2.71Å; V7-I66 PolarHBondContact O-N 2.81Å; V7-F69 HydrophobicContact CG2-CB 4.15Å; V7-F69 HydrophobicContact CG2-CD2 4.33Å; V7-F69 HydrophobicContact CG2-CG 4.19Å; V7-M97 HydrophobicContact CB-CE 4.24Å; V7-M97 HydrophobicContact CG1-CE 3.64Å; V7-M97 HydrophobicContact CG1-SD 3.54Å; V7-M97 VanDerWaalsContact CG1-SD 3.54Å; V7-K100 HydrophobicContact CG1-CD 4.46Å; V7-F101 HydrophobicContact CB-CE2 4.39Å; V7-F101 HydrophobicContact CB-CZ 4.37Å; V7-F101 HydrophobicContact CG1-CE2 3.75Å; V7-F101 HydrophobicContact CG1-CZ 4.09Å; V7-F101 HydrophobicContact CG2-CE2 3.73Å; V7-F101 HydrophobicContact CG2-CZ 3.4Å; V7-F101 VanDerWaalsContact CG2-CZ 3.4Å
8R55.6Low43.6Very low137 Ų13782.8 Ų82.852%0.51742%0.42SS..EExtended strand (participates in β ladder)trans-69.9109.1170.6-165.8-175.5173.7172.7-3.3109.8L6 T63 M65L6-R8 PolarHBondContact O-N 2.87Å; R8-T63 HydrophobicContact CG-CG2 3.27Å; R8-T63 PolarHBondContact NE-OG1 3.2Å; R8-T63 PolarHBondContact NH2-OG1 3.04Å; R8-M65 HydrophobicContact CG-CE 4.48Å
9L53Low43.5Very low3 Ų383.6 Ų83.62%0.01643%0.432CS..EExtended strand (participates in β ladder)trans-97114.7168-72.7177.7000108.8V7 F11 I14 T63 V64 I66 F76 V93 M97V7-L9 PolarHBondContact O-N 2.83Å; L9-F11 HydrophobicContact CD1-CE1 4.4Å; L9-F11 HydrophobicContact CD1-CZ 4.21Å; L9-F11 PolarHBondContact O-N 2.86Å; L9-I14 HydrophobicContact CB-CD1 4.14Å; L9-I14 HydrophobicContact CD2-CD1 4.02Å; L9-T63 VanDerWaalsContact O-CA 3.23Å; L9-T63 WeakPolarHBondContact O-CA 3.39Å; L9-V64 PolarHBondContact N-O 3.12Å; L9-V64 PolarHBondContact O-N 3.44Å; L9-I66 HydrophobicContact CD1-CD1 3.52Å; L9-I66 HydrophobicContact CG-CD1 4.27Å; L9-F76 HydrophobicContact CD1-CE1 3.66Å; L9-F76 HydrophobicContact CD1-CE2 4.41Å; L9-F76 HydrophobicContact CD1-CZ 3.36Å; L9-V93 HydrophobicContact CD1-CG1 4.38Å; L9-V93 HydrophobicContact CD2-CG1 4.18Å; L9-M97 HydrophobicContact CD1-CE 3.8Å; L9-M97 HydrophobicContact CD2-CE 3.53Å; L9-M97 HydrophobicContact CD2-CG 3.99Å; L9-M97 HydrophobicContact CD2-SD 3.42Å; L9-M97 WeakPolarHBondContact CD2-SD 3.46Å; L9-M97 HydrophobicContact CG-CE 3.82Å; L9-M97 HydrophobicContact CG-SD 4.31Å
10D53.2Low43.4Very low67 Ų6785.8 Ų85.836%0.35844%0.438SS..EExtended strand (participates in β ladder)trans-81.597.4171.4-165.1-41.1000109.2G12 A13 I14 S62D10-G12 PolarHBondContact O-N 2.97Å; D10-G12 VanDerWaalsContact OD1-CA 3.24Å; D10-G12 WeakPolarHBondContact OD1-CA 3.38Å; D10-G12 PolarHBondContact OD1-N 3.37Å; D10-A13 HydrophobicContact CB-CB 4.04Å; D10-A13 PolarHBondContact O-N 3.34Å; D10-A13 PolarHBondContact OD1-N 2.95Å; D10-I14 WeakPolarHBondContact O-CB 3.47Å; D10-I14 VanDerWaalsContact O-CD1 3.3Å; D10-I14 WeakPolarHBondContact O-CD1 3.15Å; D10-I14 WeakPolarHBondContact O-CG1 3.16Å; D10-I14 PolarHBondContact O-N 3.48Å; D10-S62 CarbonylContact C-O 3.44Å; D10-S62 VanDerWaalsContact CA-O 3.29Å; D10-S62 WeakPolarHBondContact CA-O 3.26Å; D10-S62 VanDerWaalsContact OD1-O 3.05Å
11F49.4Very low43.4Very low7 Ų782.1 Ų82.13%0.03142%0.42CS..Hα-helixtrans-72.2-21.3178.4-81.2-42.7000112.8L9 I14 F15 L61 S62 V64 I80L9-F11 HydrophobicContact CD1-CE1 4.4Å; L9-F11 HydrophobicContact CD1-CZ 4.21Å; L9-F11 PolarHBondContact O-N 2.86Å; F11-I14 HydrophobicContact CD1-CB 4.25Å; F11-I14 HydrophobicContact CD1-CD1 3.76Å; F11-I14 HydrophobicContact CD1-CG2 4.29Å; F11-I14 HydrophobicContact CE1-CD1 4.17Å; F11-F15 HydrophobicContact CB-CD2 3.64Å; F11-F15 HydrophobicContact CB-CE2 3.83Å; F11-F15 AromaticContact CD1-CD2 3.57Å; F11-F15 HydrophobicContact CD1-CD2 3.57Å; F11-F15 AromaticContact CD1-CE2 2.92Å; F11-F15 HydrophobicContact CD1-CE2 2.92Å; F11-F15 AromaticContact CD1-CZ 3.7Å; F11-F15 HydrophobicContact CD1-CZ 3.7Å; F11-F15 HydrophobicContact CD2-CE2 4.36Å; F11-F15 HydrophobicContact CE1-CD2 4.42Å; F11-F15 AromaticContact CE1-CE2 3.39Å; F11-F15 HydrophobicContact CE1-CE2 3.39Å; F11-F15 AromaticContact CE1-CZ 3.75Å; F11-F15 HydrophobicContact CE1-CZ 3.75Å; F11-F15 AromaticContact CG-CD2 3.86Å; F11-F15 HydrophobicContact CG-CD2 3.86Å; F11-F15 AromaticContact CG-CE2 3.48Å; F11-F15 HydrophobicContact CG-CE2 3.48Å; F11-F15 VanDerWaalsContact CG-CE2 3.48Å; F11-F15 HydrophobicContact CZ-CE2 4.27Å; F11-F15 WeakPolarHBondContact O-CA 3.05Å; F11-F15 WeakPolarHBondContact O-CB 3.21Å; F11-F15 WeakPolarHBondContact O-CD2 3.4Å; F11-F15 PolarHBondContact O-N 3.35Å; F11-L61 HydrophobicContact CB-CD2 4.5Å; F11-L61 HydrophobicContact CD2-CD2 3.4Å; F11-L61 VanDerWaalsContact CD2-CD2 3.4Å; F11-L61 HydrophobicContact CD2-CG 4.04Å; F11-L61 HydrophobicContact CE2-CD2 3.85Å; F11-L61 HydrophobicContact CG-CD2 4.28Å; F11-S62 PolarHBondContact N-O 3.3Å; F11-V64 HydrophobicContact CD2-CB 3.69Å; F11-V64 HydrophobicContact CD2-CG2 3.55Å; F11-V64 HydrophobicContact CE2-CB 3.31Å; F11-V64 HydrophobicContact CE2-CG1 4.03Å; F11-V64 HydrophobicContact CE2-CG2 3.31Å; F11-V64 HydrophobicContact CZ-CB 4.31Å; F11-I80 HydrophobicContact CZ-CD1 4.29Å
12G45.3Very low44.1Very low20 Ų2082.8 Ų82.821%0.20641%0.41CS..Hα-helixtrans-58.5-57.216500000109.4D10 I14 F15 E16 S62D10-G12 PolarHBondContact O-N 2.97Å; D10-G12 VanDerWaalsContact OD1-CA 3.24Å; D10-G12 WeakPolarHBondContact OD1-CA 3.38Å; D10-G12 PolarHBondContact OD1-N 3.37Å; G12-I14 PolarHBondContact O-N 2.85Å; G12-F15 PolarHBondContact O-N 2.77Å; G12-E16 VanDerWaalsContact O-CA 3.3Å; G12-E16 WeakPolarHBondContact O-CA 3.17Å; G12-E16 WeakPolarHBondContact O-CB 3.42Å; G12-E16 WeakPolarHBondContact O-CG 3.39Å; G12-E16 PolarHBondContact O-N 3.47Å; G12-S62 PolarHBondContact N-O 3.13Å
13A43.6Very low44.6Very low68 Ų6879 Ų7956%0.56242%0.418SS*.Hα-helixtrans-62.8-38.7179.400000113.5D10D10-A13 HydrophobicContact CB-CB 4.04Å; D10-A13 PolarHBondContact O-N 3.34Å; D10-A13 PolarHBondContact OD1-N 2.95Å
14I43.7Very low45.1Very low8 Ų876.1 Ų76.14%0.04140%0.402CS..Hα-helixtrans-69.2-45.7179.3-68.8157.7000111.3L9 D10 F11 G12 V93L9-I14 HydrophobicContact CB-CD1 4.14Å; L9-I14 HydrophobicContact CD2-CD1 4.02Å; D10-I14 WeakPolarHBondContact O-CB 3.47Å; D10-I14 VanDerWaalsContact O-CD1 3.3Å; D10-I14 WeakPolarHBondContact O-CD1 3.15Å; D10-I14 WeakPolarHBondContact O-CG1 3.16Å; D10-I14 PolarHBondContact O-N 3.48Å; F11-I14 HydrophobicContact CD1-CB 4.25Å; F11-I14 HydrophobicContact CD1-CD1 3.76Å; F11-I14 HydrophobicContact CD1-CG2 4.29Å; F11-I14 HydrophobicContact CE1-CD1 4.17Å; G12-I14 PolarHBondContact O-N 2.85Å; I14-V93 HydrophobicContact CB-CG2 4.33Å; I14-V93 HydrophobicContact CD1-CG1 4.49Å; I14-V93 HydrophobicContact CD1-CG2 3.99Å; I14-V93 HydrophobicContact CG1-CG2 4.17Å; I14-V93 HydrophobicContact CG2-CG2 3.26Å
15F40.7Very low45.8Very low25 Ų2572 Ų7211%0.1139%0.39CS..Hα-helixtrans-99.8-2.4-173.3-60.4-63.4000114.2F11 G12 S17 K18 W26 T89 F90F11-F15 HydrophobicContact CB-CD2 3.64Å; F11-F15 HydrophobicContact CB-CE2 3.83Å; F11-F15 AromaticContact CD1-CD2 3.57Å; F11-F15 HydrophobicContact CD1-CD2 3.57Å; F11-F15 AromaticContact CD1-CE2 2.92Å; F11-F15 HydrophobicContact CD1-CE2 2.92Å; F11-F15 AromaticContact CD1-CZ 3.7Å; F11-F15 HydrophobicContact CD1-CZ 3.7Å; F11-F15 HydrophobicContact CD2-CE2 4.36Å; F11-F15 HydrophobicContact CE1-CD2 4.42Å; F11-F15 AromaticContact CE1-CE2 3.39Å; F11-F15 HydrophobicContact CE1-CE2 3.39Å; F11-F15 AromaticContact CE1-CZ 3.75Å; F11-F15 HydrophobicContact CE1-CZ 3.75Å; F11-F15 AromaticContact CG-CD2 3.86Å; F11-F15 HydrophobicContact CG-CD2 3.86Å; F11-F15 AromaticContact CG-CE2 3.48Å; F11-F15 HydrophobicContact CG-CE2 3.48Å; F11-F15 VanDerWaalsContact CG-CE2 3.48Å; F11-F15 HydrophobicContact CZ-CE2 4.27Å; F11-F15 WeakPolarHBondContact O-CA 3.05Å; F11-F15 WeakPolarHBondContact O-CB 3.21Å; F11-F15 WeakPolarHBondContact O-CD2 3.4Å; F11-F15 PolarHBondContact O-N 3.35Å; G12-F15 PolarHBondContact O-N 2.77Å; F15-S17 PolarHBondContact O-N 3.04Å; F15-K18 PolarHBondContact O-N 2.83Å; F15-W26 AromaticContact CD2-CH2 3.65Å; F15-W26 HydrophobicContact CD2-CH2 3.65Å; F15-W26 AromaticContact CD2-CZ2 3.6Å; F15-W26 HydrophobicContact CD2-CZ2 3.6Å; F15-W26 HydrophobicContact CE1-CH2 4.04Å; F15-W26 AromaticContact CE2-CH2 3Å; F15-W26 HydrophobicContact CE2-CH2 3Å; F15-W26 AromaticContact CE2-CZ2 3.47Å; F15-W26 HydrophobicContact CE2-CZ2 3.47Å; F15-W26 VanDerWaalsContact CE2-CZ2 3.47Å; F15-W26 AromaticContact CE2-CZ3 3.84Å; F15-W26 HydrophobicContact CE2-CZ3 3.84Å; F15-W26 HydrophobicContact CG-CH2 4.38Å; F15-W26 HydrophobicContact CG-CZ2 4.27Å; F15-W26 AromaticContact CZ-CH2 3.31Å; F15-W26 HydrophobicContact CZ-CH2 3.31Å; F15-W26 HydrophobicContact CZ-CZ2 4.12Å; F15-W26 HydrophobicContact CZ-CZ3 4.08Å; F15-T89 HydrophobicContact CD1-CG2 3.49Å; F15-T89 VanDerWaalsContact CD1-CG2 3.49Å; F15-T89 HydrophobicContact CE1-CG2 3.69Å; F15-F90 HydrophobicContact CZ-CZ 4.43Å
16E41.8Very low46.3Very low168 Ų16868.5 Ų68.579%0.78537%0.373SS*.THydrogen-bonded Turntrans-55.9-22178.6-104.5172.4-160.800112G12G12-E16 VanDerWaalsContact O-CA 3.3Å; G12-E16 WeakPolarHBondContact O-CA 3.17Å; G12-E16 WeakPolarHBondContact O-CB 3.42Å; G12-E16 WeakPolarHBondContact O-CG 3.39Å; G12-E16 PolarHBondContact O-N 3.47Å
17S38.7Very low46.6Very low79 Ų7965 Ų6555%0.55236%0.356SS*.THydrogen-bonded Turntrans-89.5-12175.268.70000115.7F15F15-S17 PolarHBondContact O-N 3.04Å
18K37.8Very low46.8Very low72 Ų7266.7 Ų66.731%0.31337%0.37SS..SBendtrans-133.6130.9-175-57.5-148.7-177.6-172.40113.6F15 K20 S88 T89F15-K18 PolarHBondContact O-N 2.83Å; K18-K20 PolarHBondContact O-N 3.31Å; K18-S88 PolarHBondContact NZ-OG 2.98Å; K18-T89 HydrophobicContact CB-CG2 4.19Å; K18-T89 HydrophobicContact CD-CG2 4.15Å; K18-T89 HydrophobicContact CG-CG2 4.14Å
19P41.2Very low46.8Very low98 Ų9860.5 Ų60.564%0.63635%0.348SS*.  trans-58.3136.1-179.422-31.2000110.5R86P19-R86 PolarHBondContact O-NH1 3.16Å; P19-R86 PolarHBondContact O-NH2 2.91Å
20K42.3Very low47Very low127 Ų12760.6 Ų60.655%0.55235%0.348SS*.  trans-34.1135.6175.6-178.5-177.5175.4177.70112.2K18 R22 C24K18-K20 PolarHBondContact O-N 3.31Å; K20-R22 PolarHBondContact O-N 3.26Å; K20-R22 VanDerWaalsContact O-N 3.15Å; K20-C24 WeakPolarHBondContact CE-O 3.17Å
21P43.5Very low47.3Very low10 Ų1059.8 Ų59.87%0.06534%0.344CS..  trans-49125.9174.710.9-23.2000110.2G23 C24 D84P21-G23 PolarHBondContact O-N 3.37Å; P21-C24 HydrophobicContact CB-CB 4.42Å; P21-D84 HydrophobicContact CB-CB 4.36Å
22R44.4Very low47.6Very low241 Ų24163 Ų6391%0.90936%0.361SS*.THydrogen-bonded Turntrans-69130.8177.3-71.4-174-177.9176.71.4107.8K20 C24K20-R22 PolarHBondContact O-N 3.26Å; K20-R22 VanDerWaalsContact O-N 3.15Å; R22-C24 VanDerWaalsContact C-N 3.34Å; R22-C24 PolarHBondContact O-N 3.21Å
23G44.4Very low48.1Very low86 Ų8662.1 Ų62.189%0.88735%0.352SS*.THydrogen-bonded Turntrans87-10.8172.500000116P21P21-G23 PolarHBondContact O-N 3.37Å
24C45Very low48.7Very low42 Ų4261.4 Ų61.428%0.28434%0.337SS..  trans-108135.8173.1-68.10000111K20 P21 R22 V29K20-C24 WeakPolarHBondContact CE-O 3.17Å; P21-C24 HydrophobicContact CB-CB 4.42Å; R22-C24 VanDerWaalsContact C-N 3.34Å; R22-C24 PolarHBondContact O-N 3.21Å; C24-V29 HydrophobicContact CB-CG2 4.38Å
25S53Low49.4Very low53 Ų5368 Ų6837%0.37137%0.365SS..  trans-86.9141.9165.867.40000108.2A28 V29S25-A28 WeakPolarHBondContact O-CB 3.47Å; S25-A28 PolarHBondContact O-N 2.92Å; S25-A28 PolarHBondContact OG-N 2.74Å; S25-V29 PolarHBondContact O-N 3.41Å
26W57.4Low49.9Very low26 Ų2670 Ų7010%0.09839%0.386CS..Hα-helixtrans-45.9-40.6166.9-76.4123.5000113.1F15 A28 V29 I30 L61F15-W26 AromaticContact CD2-CH2 3.65Å; F15-W26 HydrophobicContact CD2-CH2 3.65Å; F15-W26 AromaticContact CD2-CZ2 3.6Å; F15-W26 HydrophobicContact CD2-CZ2 3.6Å; F15-W26 HydrophobicContact CE1-CH2 4.04Å; F15-W26 AromaticContact CE2-CH2 3Å; F15-W26 HydrophobicContact CE2-CH2 3Å; F15-W26 AromaticContact CE2-CZ2 3.47Å; F15-W26 HydrophobicContact CE2-CZ2 3.47Å; F15-W26 VanDerWaalsContact CE2-CZ2 3.47Å; F15-W26 AromaticContact CE2-CZ3 3.84Å; F15-W26 HydrophobicContact CE2-CZ3 3.84Å; F15-W26 HydrophobicContact CG-CH2 4.38Å; F15-W26 HydrophobicContact CG-CZ2 4.27Å; F15-W26 AromaticContact CZ-CH2 3.31Å; F15-W26 HydrophobicContact CZ-CH2 3.31Å; F15-W26 HydrophobicContact CZ-CZ2 4.12Å; F15-W26 HydrophobicContact CZ-CZ3 4.08Å; W26-A28 VanDerWaalsContact C-N 3.31Å; W26-A28 PolarHBondContact O-N 3.28Å; W26-V29 HydrophobicContact CE3-CB 4.15Å; W26-V29 HydrophobicContact CE3-CG1 4.32Å; W26-V29 HydrophobicContact CE3-CG2 4.22Å; W26-V29 HydrophobicContact CZ3-CB 4.43Å; W26-V29 HydrophobicContact CZ3-CG1 4.18Å; W26-V29 HydrophobicContact CZ3-CG2 4.39Å; W26-V29 WeakPolarHBondContact O-CB 3.02Å; W26-V29 PolarHBondContact O-N 3.12Å; W26-V29 VanDerWaalsContact O-N 3.13Å; W26-I30 HydrophobicContact CB-CD1 4.47Å; W26-I30 WeakPolarHBondContact O-CD1 3.35Å; W26-I30 WeakPolarHBondContact O-CG1 3.42Å; W26-I30 PolarHBondContact O-N 2.87Å; W26-L61 HydrophobicContact CB-CD2 4.19Å; W26-L61 HydrophobicContact CD2-CB 4.36Å; W26-L61 HydrophobicContact CD2-CD2 3.53Å; W26-L61 HydrophobicContact CE3-CD2 3.7Å; W26-L61 HydrophobicContact CG-CB 4.03Å; W26-L61 HydrophobicContact CG-CD2 3.75Å; W26-L61 HydrophobicContact CG-CG 4.47Å; W26-L61 HydrophobicContact CZ3-CD2 4.42Å
27P53.4Low50.3Low27 Ų2764.2 Ų64.218%0.17536%0.361CS..Hα-helixtrans-46.5-51168.9-27.121.9000114.6V29 I30 D31 P55 F57P27-V29 VanDerWaalsContact C-N 3.33Å; P27-V29 PolarHBondContact O-N 2.99Å; P27-I30 PolarHBondContact O-N 3.2Å; P27-D31 VanDerWaalsContact O-CB 3.25Å; P27-D31 WeakPolarHBondContact O-CB 3.5Å; P27-D31 PolarHBondContact O-N 3.28Å; P27-P55 WeakPolarHBondContact CA-O 3.49Å; P27-P55 HydrophobicContact CB-CB 4.12Å; P27-P55 WeakPolarHBondContact CB-O 3.29Å; P27-P55 WeakPolarHBondContact CG-O 3.23Å; P27-P55 VanDerWaalsContact O-CB 3.24Å; P27-P55 WeakPolarHBondContact O-CB 3.43Å; P27-F57 WeakPolarHBondContact CD-O 3.5Å; P27-F57 HydrophobicContact CG-CB 4.36Å; P27-F57 WeakPolarHBondContact CG-O 3.39Å
28A56.5Low50.9Low37 Ų3768.7 Ų68.731%0.30638%0.378SS..Hα-helixtrans-67-36.7-177.900000111.7S25 W26 N32S25-A28 WeakPolarHBondContact O-CB 3.47Å; S25-A28 PolarHBondContact O-N 2.92Å; S25-A28 PolarHBondContact OG-N 2.74Å; W26-A28 VanDerWaalsContact C-N 3.31Å; W26-A28 PolarHBondContact O-N 3.28Å; A28-N32 VanDerWaalsContact O-CB 3.23Å; A28-N32 WeakPolarHBondContact O-CB 3.14Å; A28-N32 PolarHBondContact O-N 3.36Å; A28-N32 PolarHBondContact O-ND2 3.15Å
29V54.5Low51.8Low7 Ų765.8 Ų65.84%0.04237%0.365CS..Hα-helixtrans-63.2-46.8176-178.10000110.7C24 S25 W26 P27 A33 I80 C83C24-V29 HydrophobicContact CB-CG2 4.38Å; S25-V29 PolarHBondContact O-N 3.41Å; W26-V29 HydrophobicContact CE3-CB 4.15Å; W26-V29 HydrophobicContact CE3-CG1 4.32Å; W26-V29 HydrophobicContact CE3-CG2 4.22Å; W26-V29 HydrophobicContact CZ3-CB 4.43Å; W26-V29 HydrophobicContact CZ3-CG1 4.18Å; W26-V29 HydrophobicContact CZ3-CG2 4.39Å; W26-V29 WeakPolarHBondContact O-CB 3.02Å; W26-V29 PolarHBondContact O-N 3.12Å; W26-V29 VanDerWaalsContact O-N 3.13Å; P27-V29 VanDerWaalsContact C-N 3.33Å; P27-V29 PolarHBondContact O-N 2.99Å; V29-A33 VanDerWaalsContact O-CB 3.32Å; V29-A33 WeakPolarHBondContact O-CB 3.21Å; V29-A33 PolarHBondContact O-N 3.47Å; V29-I80 HydrophobicContact CG1-CG2 3.52Å; V29-C83 HydrophobicContact CB-CB 4.3Å; V29-C83 HydrophobicContact CG1-CB 4.16Å; V29-C83 HydrophobicContact CG2-CB 3.76Å
30I58.4Low52.3Low5 Ų563.4 Ų63.43%0.02635%0.349CS..Hα-helixtrans-67.8-46-179.2-68.4159.3000110.7W26 P27 N32 A33 Q34 I41 T43 P55 L61W26-I30 HydrophobicContact CB-CD1 4.47Å; W26-I30 WeakPolarHBondContact O-CD1 3.35Å; W26-I30 WeakPolarHBondContact O-CG1 3.42Å; W26-I30 PolarHBondContact O-N 2.87Å; P27-I30 PolarHBondContact O-N 3.2Å; I30-N32 VanDerWaalsContact C-N 3.34Å; I30-N32 PolarHBondContact O-N 3.04Å; I30-A33 PolarHBondContact O-N 3.3Å; I30-Q34 HydrophobicContact CG2-CG 4.4Å; I30-Q34 WeakPolarHBondContact O-CB 3.38Å; I30-Q34 WeakPolarHBondContact O-CG 3.26Å; I30-Q34 PolarHBondContact O-N 3.03Å; I30-I41 HydrophobicContact CG1-CG2 4.28Å; I30-I41 HydrophobicContact CG2-CB 3.89Å; I30-I41 HydrophobicContact CG2-CD1 4.21Å; I30-I41 HydrophobicContact CG2-CG2 3.82Å; I30-T43 HydrophobicContact CD1-CG2 3.32Å; I30-T43 HydrophobicContact CG1-CG2 4.43Å; I30-P55 HydrophobicContact CB-CB 4.37Å; I30-P55 HydrophobicContact CG2-CB 4.28Å; I30-L61 HydrophobicContact CD1-CD1 4.5Å; I30-L61 HydrophobicContact CD1-CD2 4.49Å
31D59.5Low53Low49 Ų4957.6 Ų57.626%0.26232%0.323SS..Hα-helixtrans-62.1-41.8178-177.450.2000111.3P27 Q34 K35 P55P27-D31 VanDerWaalsContact O-CB 3.25Å; P27-D31 WeakPolarHBondContact O-CB 3.5Å; P27-D31 PolarHBondContact O-N 3.28Å; D31-Q34 PolarHBondContact O-N 2.83Å; D31-K35 WeakPolarHBondContact O-CB 3.49Å; D31-K35 VanDerWaalsContact O-CG 3.28Å; D31-K35 WeakPolarHBondContact O-CG 3.43Å; D31-K35 PolarHBondContact O-N 3.25Å; D31-K35 WeakPolarHBondContact OD1-CE 3.44Å; D31-K35 IonicContact OD1-NZ 2.65Å; D31-K35 VanDerWaalsContact OD2-CE 3.27Å; D31-K35 WeakPolarHBondContact OD2-CE 3.21Å; D31-K35 IonicContact OD2-NZ 3.73Å; D31-K35 PolarHBondContact OD2-NZ 3.44Å; D31-P55 HydrophobicContact CB-CB 4.03Å; D31-P55 HydrophobicContact CB-CG 4.26Å
32N54.2Low53.4Low76 Ų7660.7 Ų60.741%0.40633%0.334SS..Hα-helixtrans-64.5-41.2173.8-76.4-19.7000111.9A28 I30 K35 A36 C83A28-N32 VanDerWaalsContact O-CB 3.23Å; A28-N32 WeakPolarHBondContact O-CB 3.14Å; A28-N32 PolarHBondContact O-N 3.36Å; A28-N32 PolarHBondContact O-ND2 3.15Å; I30-N32 VanDerWaalsContact C-N 3.34Å; I30-N32 PolarHBondContact O-N 3.04Å; N32-K35 PolarHBondContact O-N 3.43Å; N32-A36 VanDerWaalsContact O-CB 3.26Å; N32-A36 WeakPolarHBondContact O-CB 3.19Å; N32-A36 PolarHBondContact O-N 3.45Å; N32-C83 PolarHBondContact ND2-SG 2.95Å
33A55.3Low53.8Low1 Ų149.4 Ų49.41%0.00829%0.292CS..Hα-helixtrans-65.7-37.4176.600000112.5V29 I30 N37 W39 I41 A79V29-A33 VanDerWaalsContact O-CB 3.32Å; V29-A33 WeakPolarHBondContact O-CB 3.21Å; V29-A33 PolarHBondContact O-N 3.47Å; I30-A33 PolarHBondContact O-N 3.3Å; A33-N37 VanDerWaalsContact O-CB 3.26Å; A33-N37 WeakPolarHBondContact O-CB 3.45Å; A33-W39 HydrophobicContact CB-CH2 4.2Å; A33-W39 HydrophobicContact CB-CZ3 3.99Å; A33-I41 HydrophobicContact CB-CD1 3.54Å; A33-A79 HydrophobicContact CB-CB 4.04Å
34Q57.2Low53.9Low53 Ų5346.9 Ų46.925%0.24826%0.257CS..Hα-helixtrans-71-33.8173.4-73.1-177.9-55.800112.9I30 D31 N37 I41I30-Q34 HydrophobicContact CG2-CG 4.4Å; I30-Q34 WeakPolarHBondContact O-CB 3.38Å; I30-Q34 WeakPolarHBondContact O-CG 3.26Å; I30-Q34 PolarHBondContact O-N 3.03Å; D31-Q34 PolarHBondContact O-N 2.83Å; Q34-N37 CarbonylContact C-O 3.56Å; Q34-I41 HydrophobicContact CG-CB 4.17Å; Q34-I41 HydrophobicContact CG-CD1 4.13Å; Q34-I41 HydrophobicContact CG-CG1 4Å
35K57.7Low54.1Low147 Ų14748.3 Ų48.364%0.63926%0.258SS*.Hα-helixtrans-74.4-38.1177.1-78.7171.1177.6165.70112.6D31 N32 N37D31-K35 WeakPolarHBondContact O-CB 3.49Å; D31-K35 VanDerWaalsContact O-CG 3.28Å; D31-K35 WeakPolarHBondContact O-CG 3.43Å; D31-K35 PolarHBondContact O-N 3.25Å; D31-K35 WeakPolarHBondContact OD1-CE 3.44Å; D31-K35 IonicContact OD1-NZ 2.65Å; D31-K35 VanDerWaalsContact OD2-CE 3.27Å; D31-K35 WeakPolarHBondContact OD2-CE 3.21Å; D31-K35 IonicContact OD2-NZ 3.73Å; D31-K35 PolarHBondContact OD2-NZ 3.44Å; N32-K35 PolarHBondContact O-N 3.43Å; K35-N37 PolarHBondContact O-N 2.97Å
36A52.6Low53.9Low66 Ų6650 Ų5055%0.54527%0.267SS..SBendtrans-66.7-14.6-179.600000112.5N32 A79N32-A36 VanDerWaalsContact O-CB 3.26Å; N32-A36 WeakPolarHBondContact O-CB 3.19Å; N32-A36 PolarHBondContact O-N 3.45Å; A36-A79 HydrophobicContact CB-CB 4.23Å
37N50.2Low53.4Low46 Ų4652.7 Ų52.725%0.24629%0.29CS..SBendtrans-167.3139.8-150-108-41.1000112.4A33 Q34 K35 W39 A75A33-N37 VanDerWaalsContact O-CB 3.26Å; A33-N37 WeakPolarHBondContact O-CB 3.45Å; Q34-N37 CarbonylContact C-O 3.56Å; K35-N37 PolarHBondContact O-N 2.97Å; N37-W39 HydrophobicContact CB-CD2 4.06Å; N37-W39 HydrophobicContact CB-CG 4.22Å; N37-W39 HydrophobicContact CB-CZ2 3.63Å; N37-W39 VanDerWaalsContact CG-CZ2 3.47Å; N37-W39 WeakPolarHBondContact ND2-CZ2 3.26Å; N37-W39 PolarHBondContact O-N 3.24Å; N37-W39 PolarHBondContact OD1-NE1 3.18Å; N37-W39 VanDerWaalsContact OD1-NE1 3.16Å; N37-A75 PolarHBondContact ND2-O 3Å
38L49.9Very low53Low174 Ų17455.5 Ų55.591%0.91130%0.303SS*.SBendtrans-69.914.8-170.7-73.6166.9000116.4
39W57.2Low52.4Low10 Ų1061.2 Ų61.24%0.03833%0.328CS..  trans-93.7148.3-171.66.7-54.3000112.3A33 N37 I41 I66 A75 F76 A79A33-W39 HydrophobicContact CB-CH2 4.2Å; A33-W39 HydrophobicContact CB-CZ3 3.99Å; N37-W39 HydrophobicContact CB-CD2 4.06Å; N37-W39 HydrophobicContact CB-CG 4.22Å; N37-W39 HydrophobicContact CB-CZ2 3.63Å; N37-W39 VanDerWaalsContact CG-CZ2 3.47Å; N37-W39 WeakPolarHBondContact ND2-CZ2 3.26Å; N37-W39 PolarHBondContact O-N 3.24Å; N37-W39 PolarHBondContact OD1-NE1 3.18Å; N37-W39 VanDerWaalsContact OD1-NE1 3.16Å; W39-I41 HydrophobicContact CE3-CD1 3.95Å; W39-I41 HydrophobicContact CE3-CG1 4.01Å; W39-I41 HydrophobicContact CZ3-CD1 3.91Å; W39-I41 HydrophobicContact CZ3-CG1 4.45Å; W39-I66 HydrophobicContact CB-CG2 3.93Å; W39-I66 HydrophobicContact CD2-CG2 4.36Å; W39-I66 HydrophobicContact CE3-CG2 3.88Å; W39-I66 HydrophobicContact CG-CG2 4.45Å; W39-A75 WeakPolarHBondContact CZ2-O 3.3Å; W39-F76 AromaticContact CE3-CD2 3.76Å; W39-F76 HydrophobicContact CE3-CD2 3.76Å; W39-F76 HydrophobicContact CE3-CE2 4.07Å; W39-F76 VanDerWaalsContact CH2-CA 3.45Å; W39-F76 HydrophobicContact CH2-CB 4.04Å; W39-F76 AromaticContact CH2-CD2 3.28Å; W39-F76 HydrophobicContact CH2-CD2 3.28Å; W39-F76 AromaticContact CH2-CE2 3.96Å; W39-F76 HydrophobicContact CH2-CE2 3.96Å; W39-F76 HydrophobicContact CH2-CG 4.01Å; W39-F76 HydrophobicContact CZ2-CB 4.26Å; W39-F76 HydrophobicContact CZ2-CD2 4.11Å; W39-F76 AromaticContact CZ3-CD2 3.05Å; W39-F76 HydrophobicContact CZ3-CD2 3.05Å; W39-F76 AromaticContact CZ3-CE2 3.35Å; W39-F76 HydrophobicContact CZ3-CE2 3.35Å; W39-F76 HydrophobicContact CZ3-CG 4.18Å; W39-A79 HydrophobicContact CH2-CB 3.69Å; W39-A79 HydrophobicContact CZ2-CB 4.04Å
40T52.8Low51.8Low49 Ų4962.9 Ų62.930%0.30134%0.34SS..EExtended strand (participates in β ladder)trans-98.3112.6173.1-50.10000108.5Y42 A67T40-Y42 HydrophobicContact CG2-CD2 4.18Å; T40-Y42 HydrophobicContact CG2-CE1 4.23Å; T40-Y42 HydrophobicContact CG2-CE2 3.54Å; T40-A67 PolarHBondContact N-O 2.84Å; T40-A67 PolarHBondContact O-N 3.18Å
41I56.1Low51.4Low4 Ų468.3 Ų68.32%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-91.2116.6174.6-57.2-176.9000107.6I30 A33 Q34 W39 V64 I66I30-I41 HydrophobicContact CG1-CG2 4.28Å; I30-I41 HydrophobicContact CG2-CB 3.89Å; I30-I41 HydrophobicContact CG2-CD1 4.21Å; I30-I41 HydrophobicContact CG2-CG2 3.82Å; A33-I41 HydrophobicContact CB-CD1 3.54Å; Q34-I41 HydrophobicContact CG-CB 4.17Å; Q34-I41 HydrophobicContact CG-CD1 4.13Å; Q34-I41 HydrophobicContact CG-CG1 4Å; W39-I41 HydrophobicContact CE3-CD1 3.95Å; W39-I41 HydrophobicContact CE3-CG1 4.01Å; W39-I41 HydrophobicContact CZ3-CD1 3.91Å; W39-I41 HydrophobicContact CZ3-CG1 4.45Å; I41-V64 HydrophobicContact CG2-CB 4.48Å; I41-V64 HydrophobicContact CG2-CG1 3.31Å; I41-V64 HydrophobicContact CG2-CG2 4.38Å; I41-I66 HydrophobicContact CG1-CG1 4.42Å
42Y52.6Low50.8Low75 Ų7570.8 Ų70.829%0.29438%0.376SS..EExtended strand (participates in β ladder)trans-95.9134.5169.4-60.2-93.6000108.1L6 T40 P53 V64 M65 A67L6-Y42 HydrophobicContact CD2-CD2 4.16Å; L6-Y42 HydrophobicContact CD2-CE2 4.5Å; T40-Y42 HydrophobicContact CG2-CD2 4.18Å; T40-Y42 HydrophobicContact CG2-CE1 4.23Å; T40-Y42 HydrophobicContact CG2-CE2 3.54Å; Y42-P53 HydrophobicContact CD1-CB 4.14Å; Y42-P53 HydrophobicContact CE1-CB 4.11Å; Y42-V64 CarbonylContact O-C 3.57Å; Y42-V64 WeakPolarHBondContact O-CA 3.46Å; Y42-M65 PolarHBondContact N-O 3.36Å; Y42-M65 PolarHBondContact O-N 2.93Å; Y42-A67 HydrophobicContact CD2-CB 4.37Å; Y42-A67 HydrophobicContact CE2-CB 3.74Å
43T51.2Low50.3Low4 Ų471.9 Ų71.93%0.02539%0.387CS..EExtended strand (participates in β ladder)trans-105.5138.8172.867.50000108.8I30 E52 L61 V64I30-T43 HydrophobicContact CD1-CG2 3.32Å; I30-T43 HydrophobicContact CG1-CG2 4.43Å; T43-E52 PolarHBondContact N-O 2.97Å; T43-E52 PolarHBondContact O-N 3.22Å; T43-L61 HydrophobicContact CG2-CD1 3.91Å; T43-V64 HydrophobicContact CG2-CG2 4.03Å
44H47.8Very low49.7Very low33 Ų3372.5 Ų72.515%0.15339%0.393CS..EExtended strand (participates in β ladder)trans-108.6125.9171.1-175.5-86.2000109.3T63H44-T63 HydrophobicContact CB-CG2 4.3Å; H44-T63 PolarHBondContact N-O 3.03Å
45K48.1Very low48.9Very low72 Ų7271.7 Ų71.731%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-84125.2178.1-168.4177.6-177.3-179.90109.5S47 N48 F57K45-S47 VanDerWaalsContact CE-OG 3.31Å; K45-S47 WeakPolarHBondContact CE-OG 3.21Å; K45-S47 PolarHBondContact O-N 2.94Å; K45-S47 VanDerWaalsContact O-N 3.11Å; K45-N48 CarbonylContact O-C 3.57Å; K45-N48 PolarHBondContact O-N 3.37Å; K45-F57 HydrophobicContact CB-CE2 4Å; K45-F57 HydrophobicContact CG-CE2 4.02Å; K45-F57 HydrophobicContact CG-CZ 4.45Å
46T48.6Very low48.1Very low89 Ų8972.9 Ų72.955%0.54640%0.401SS..THydrogen-bonded Turntrans-62.9-22.1-179.2-11.90000113.4L60 S62T46-L60 PolarHBondContact OG1-O 3.27Å; T46-L60 VanDerWaalsContact OG1-O 3.13Å; T46-S62 WeakPolarHBondContact CB-OG 3.28Å; T46-S62 VanDerWaalsContact CG2-OG 3.3Å; T46-S62 WeakPolarHBondContact CG2-OG 3.35Å; T46-S62 VanDerWaalsContact OG1-CB 3.29Å; T46-S62 WeakPolarHBondContact OG1-CB 3.3Å; T46-S62 PolarHBondContact OG1-OG 3.39Å
47S47.8Very low47.7Very low83 Ų8370.3 Ų70.358%0.5838%0.377SS*.THydrogen-bonded Turntrans-87.5-26.3-177.177.70000114.1K45K45-S47 VanDerWaalsContact CE-OG 3.31Å; K45-S47 WeakPolarHBondContact CE-OG 3.21Å; K45-S47 PolarHBondContact O-N 2.94Å; K45-S47 VanDerWaalsContact O-N 3.11Å
48N44.1Very low47.4Very low86 Ų8676.6 Ų76.646%0.4641%0.411SS..SBendtrans-136.5125.1-174.9-648.8000106.3K45 S50K45-N48 CarbonylContact O-C 3.57Å; K45-N48 PolarHBondContact O-N 3.37Å; N48-S50 PolarHBondContact O-N 3.47Å
49N44Very low47.2Very low156 Ų15670 Ų7083%0.83439%0.385SS*.  trans-6330.3176-71.3-9.7000114.2
50S43.6Very low46.8Very low42 Ų4276.8 Ų76.829%0.29442%0.421SS..  trans-92.6114.9174.154.90000108.9N48 E52N48-S50 PolarHBondContact O-N 3.47Å; S50-E52 PolarHBondContact O-N 2.87Å
51E49.2Very low46.6Very low120 Ų12075 Ų7556%0.56141%0.41SS*.EExtended strand (participates in β ladder)trans-71.4105.8159.4-64.7176.6174.500107
52E46.1Very low46.2Very low100 Ų10075.6 Ų75.647%0.46741%0.414SS..EExtended strand (participates in β ladder)trans-99.5120.2173.3-76.7-177.6165.400108.5T43 S50 G54T43-E52 PolarHBondContact N-O 2.97Å; T43-E52 PolarHBondContact O-N 3.22Å; S50-E52 PolarHBondContact O-N 2.87Å; E52-G54 PolarHBondContact O-N 2.8Å
53P44.2Very low46.1Very low99 Ų9972.1 Ų72.164%0.64340%0.401SS*.EExtended strand (participates in β ladder)trans-70.2118.5169.627.9-30000108.2Y42Y42-P53 HydrophobicContact CD1-CB 4.14Å; Y42-P53 HydrophobicContact CE1-CB 4.11Å
54G42.3Very low46.2Very low14 Ų1472 Ų7214%0.14440%0.4CS..SBendtrans136.3172.2168.300000115.2E52 E56E52-G54 PolarHBondContact O-N 2.8Å; G54-E56 VanDerWaalsContact C-N 3.28Å; G54-E56 PolarHBondContact O-N 2.8Å
55P41.6Very low46.5Very low36 Ų3672 Ų7223%0.23440%0.401CS..SBendtrans-76.9-10-178.230.7-34.9000113P27 I30 D31 F57P27-P55 WeakPolarHBondContact CA-O 3.49Å; P27-P55 HydrophobicContact CB-CB 4.12Å; P27-P55 WeakPolarHBondContact CB-O 3.29Å; P27-P55 WeakPolarHBondContact CG-O 3.23Å; P27-P55 VanDerWaalsContact O-CB 3.24Å; P27-P55 WeakPolarHBondContact O-CB 3.43Å; I30-P55 HydrophobicContact CB-CB 4.37Å; I30-P55 HydrophobicContact CG2-CB 4.28Å; D31-P55 HydrophobicContact CB-CB 4.03Å; D31-P55 HydrophobicContact CB-CG 4.26Å; P55-F57 VanDerWaalsContact C-N 3.31Å; P55-F57 PolarHBondContact O-N 2.76Å
56E40.7Very low46.8Very low172 Ų17268.6 Ų68.680%0.80439%0.386SS*.  trans-67.281.2-172.6-66.5-168.4-178.600112.9G54G54-E56 VanDerWaalsContact C-N 3.28Å; G54-E56 PolarHBondContact O-N 2.8Å
57F44.6Very low46.9Very low13 Ų1364.7 Ų64.76%0.05736%0.362CS..  trans-128.2105.6-174.3-161.8-94.8000112.8P27 K45 P55 G59 L60 L61P27-F57 WeakPolarHBondContact CD-O 3.5Å; P27-F57 HydrophobicContact CG-CB 4.36Å; P27-F57 WeakPolarHBondContact CG-O 3.39Å; K45-F57 HydrophobicContact CB-CE2 4Å; K45-F57 HydrophobicContact CG-CE2 4.02Å; K45-F57 HydrophobicContact CG-CZ 4.45Å; P55-F57 VanDerWaalsContact C-N 3.31Å; P55-F57 PolarHBondContact O-N 2.76Å; F57-G59 VanDerWaalsContact CE1-CA 3.47Å; F57-G59 WeakPolarHBondContact CE1-O 3.32Å; F57-L60 VanDerWaalsContact CZ-C 3.44Å; F57-L60 VanDerWaalsContact CZ-O 3.26Å; F57-L60 WeakPolarHBondContact CZ-O 3.35Å; F57-L61 HydrophobicContact CD1-CB 4.09Å; F57-L61 HydrophobicContact CD1-CD1 3.98Å; F57-L61 HydrophobicContact CD2-CD1 4.08Å; F57-L61 HydrophobicContact CE1-CB 3.61Å; F57-L61 HydrophobicContact CE1-CD1 3.95Å; F57-L61 HydrophobicContact CE1-CG 4.42Å; F57-L61 HydrophobicContact CE2-CD1 4.09Å; F57-L61 HydrophobicContact CG-CD1 4.03Å; F57-L61 HydrophobicContact CZ-CB 4.13Å; F57-L61 HydrophobicContact CZ-CD1 4.03Å
58N43.1Very low47Very low177 Ų17763.3 Ų63.395%0.94735%0.349SS*.  trans-98.47.8176-75.5-23.5000113.7
59G45.6Very low47.2Very low36 Ų3661.2 Ų61.237%0.37134%0.335SS..SBendtrans-107.9-163.2-173.600000115.8F57F57-G59 VanDerWaalsContact CE1-CA 3.47Å; F57-G59 WeakPolarHBondContact CE1-O 3.32Å
60L48.7Very low47.4Very low153 Ų15355.1 Ų55.180%0.80131%0.305SS*.  trans-87114.5163.8-78.8161.5000109.2T46 F57 S62T46-L60 PolarHBondContact OG1-O 3.27Å; T46-L60 VanDerWaalsContact OG1-O 3.13Å; F57-L60 VanDerWaalsContact CZ-C 3.44Å; F57-L60 VanDerWaalsContact CZ-O 3.26Å; F57-L60 WeakPolarHBondContact CZ-O 3.35Å; L60-S62 PolarHBondContact O-N 2.77Å; L60-S62 VanDerWaalsContact O-N 3.12Å
61L48.6Very low47.7Very low12 Ų1259.7 Ų59.76%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-78.7102-175-171.878.6000106.7F11 W26 I30 T43 F57 V64F11-L61 HydrophobicContact CB-CD2 4.5Å; F11-L61 HydrophobicContact CD2-CD2 3.4Å; F11-L61 VanDerWaalsContact CD2-CD2 3.4Å; F11-L61 HydrophobicContact CD2-CG 4.04Å; F11-L61 HydrophobicContact CE2-CD2 3.85Å; F11-L61 HydrophobicContact CG-CD2 4.28Å; W26-L61 HydrophobicContact CB-CD2 4.19Å; W26-L61 HydrophobicContact CD2-CB 4.36Å; W26-L61 HydrophobicContact CD2-CD2 3.53Å; W26-L61 HydrophobicContact CE3-CD2 3.7Å; W26-L61 HydrophobicContact CG-CB 4.03Å; W26-L61 HydrophobicContact CG-CD2 3.75Å; W26-L61 HydrophobicContact CG-CG 4.47Å; W26-L61 HydrophobicContact CZ3-CD2 4.42Å; I30-L61 HydrophobicContact CD1-CD1 4.5Å; I30-L61 HydrophobicContact CD1-CD2 4.49Å; T43-L61 HydrophobicContact CG2-CD1 3.91Å; F57-L61 HydrophobicContact CD1-CB 4.09Å; F57-L61 HydrophobicContact CD1-CD1 3.98Å; F57-L61 HydrophobicContact CD2-CD1 4.08Å; F57-L61 HydrophobicContact CE1-CB 3.61Å; F57-L61 HydrophobicContact CE1-CD1 3.95Å; F57-L61 HydrophobicContact CE1-CG 4.42Å; F57-L61 HydrophobicContact CE2-CD1 4.09Å; F57-L61 HydrophobicContact CG-CD1 4.03Å; F57-L61 HydrophobicContact CZ-CB 4.13Å; F57-L61 HydrophobicContact CZ-CD1 4.03Å; L61-V64 HydrophobicContact CD1-CG2 3.92Å; L61-V64 HydrophobicContact CD2-CG2 3.76Å; L61-V64 HydrophobicContact CG-CG2 4.06Å
62S47.3Very low47.7Very low16 Ų1657 Ų5711%0.11233%0.33CS..EExtended strand (participates in β ladder)trans-87.6-33.3177.648.90000111.4D10 F11 G12 T46 L60D10-S62 CarbonylContact C-O 3.44Å; D10-S62 VanDerWaalsContact CA-O 3.29Å; D10-S62 WeakPolarHBondContact CA-O 3.26Å; D10-S62 VanDerWaalsContact OD1-O 3.05Å; F11-S62 PolarHBondContact N-O 3.3Å; G12-S62 PolarHBondContact N-O 3.13Å; T46-S62 WeakPolarHBondContact CB-OG 3.28Å; T46-S62 VanDerWaalsContact CG2-OG 3.3Å; T46-S62 WeakPolarHBondContact CG2-OG 3.35Å; T46-S62 VanDerWaalsContact OG1-CB 3.29Å; T46-S62 WeakPolarHBondContact OG1-CB 3.3Å; T46-S62 PolarHBondContact OG1-OG 3.39Å; L60-S62 PolarHBondContact O-N 2.77Å; L60-S62 VanDerWaalsContact O-N 3.12Å
63T49.9Very low47.9Very low1 Ų153.8 Ų53.81%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-147.1134.7-171.8-69.20000111.4R8 L9 H44 M65R8-T63 HydrophobicContact CG-CG2 3.27Å; R8-T63 PolarHBondContact NE-OG1 3.2Å; R8-T63 PolarHBondContact NH2-OG1 3.04Å; L9-T63 VanDerWaalsContact O-CA 3.23Å; L9-T63 WeakPolarHBondContact O-CA 3.39Å; H44-T63 HydrophobicContact CB-CG2 4.3Å; H44-T63 PolarHBondContact N-O 3.03Å; T63-M65 HydrophobicContact CG2-CG 4.34Å
64V54Low48.2Very low3 Ų355 Ų552%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-118.7136.8165.2161.40000109.4L9 F11 I41 Y42 T43 L61 I66L9-V64 PolarHBondContact N-O 3.12Å; L9-V64 PolarHBondContact O-N 3.44Å; F11-V64 HydrophobicContact CD2-CB 3.69Å; F11-V64 HydrophobicContact CD2-CG2 3.55Å; F11-V64 HydrophobicContact CE2-CB 3.31Å; F11-V64 HydrophobicContact CE2-CG1 4.03Å; F11-V64 HydrophobicContact CE2-CG2 3.31Å; F11-V64 HydrophobicContact CZ-CB 4.31Å; I41-V64 HydrophobicContact CG2-CB 4.48Å; I41-V64 HydrophobicContact CG2-CG1 3.31Å; I41-V64 HydrophobicContact CG2-CG2 4.38Å; Y42-V64 CarbonylContact O-C 3.57Å; Y42-V64 WeakPolarHBondContact O-CA 3.46Å; T43-V64 HydrophobicContact CG2-CG2 4.03Å; L61-V64 HydrophobicContact CD1-CG2 3.92Å; L61-V64 HydrophobicContact CD2-CG2 3.76Å; L61-V64 HydrophobicContact CG-CG2 4.06Å; V64-I66 HydrophobicContact CG1-CD1 4.38Å; V64-I66 HydrophobicContact CG1-CG1 4.02Å
65M54.2Low48.5Very low33 Ų3355.5 Ų55.516%0.16332%0.318CS..EExtended strand (participates in β ladder)trans-110.1130170.3-55.6177.6165.800108.6L6 V7 R8 Y42 T63L6-M65 HydrophobicContact CD2-CB 3.69Å; L6-M65 HydrophobicContact CD2-SD 4.17Å; V7-M65 WeakPolarHBondContact O-CA 3.28Å; R8-M65 HydrophobicContact CG-CE 4.48Å; Y42-M65 PolarHBondContact N-O 3.36Å; Y42-M65 PolarHBondContact O-N 2.93Å; T63-M65 HydrophobicContact CG2-CG 4.34Å
66I54.9Low48.9Very low0 Ų053.9 Ų53.90%031%0.308CS..EExtended strand (participates in β ladder)trans-108.6123.8175.9-57.2130.2000107.5E5 V7 L9 W39 I41 V64 F69 F76 M97E5-I66 VanDerWaalsContact O-O 3.06Å; V7-I66 PolarHBondContact N-O 2.71Å; V7-I66 PolarHBondContact O-N 2.81Å; L9-I66 HydrophobicContact CD1-CD1 3.52Å; L9-I66 HydrophobicContact CG-CD1 4.27Å; W39-I66 HydrophobicContact CB-CG2 3.93Å; W39-I66 HydrophobicContact CD2-CG2 4.36Å; W39-I66 HydrophobicContact CE3-CG2 3.88Å; W39-I66 HydrophobicContact CG-CG2 4.45Å; I41-I66 HydrophobicContact CG1-CG1 4.42Å; V64-I66 HydrophobicContact CG1-CD1 4.38Å; V64-I66 HydrophobicContact CG1-CG1 4.02Å; I66-F69 HydrophobicContact CB-CD2 4.05Å; I66-F69 HydrophobicContact CD1-CD2 4.13Å; I66-F69 HydrophobicContact CD1-CE2 4.07Å; I66-F69 HydrophobicContact CG2-CD2 3.82Å; I66-F76 HydrophobicContact CD1-CD2 3.88Å; I66-F76 HydrophobicContact CD1-CE1 4.33Å; I66-F76 HydrophobicContact CD1-CE2 3.08Å; I66-F76 HydrophobicContact CD1-CZ 3.33Å; I66-F76 HydrophobicContact CG1-CD2 4.5Å; I66-F76 HydrophobicContact CG1-CE2 3.74Å; I66-F76 HydrophobicContact CG1-CZ 4.36Å; I66-M97 HydrophobicContact CD1-CE 4.41Å
67A51.4Low49.4Very low6 Ų645.7 Ų45.75%0.0527%0.269CS..EExtended strand (participates in β ladder)trans-94.3151.2167.600000110.2L6 T40 Y42 F69L6-A67 HydrophobicContact CD2-CB 4.45Å; T40-A67 PolarHBondContact N-O 2.84Å; T40-A67 PolarHBondContact O-N 3.18Å; Y42-A67 HydrophobicContact CD2-CB 4.37Å; Y42-A67 HydrophobicContact CE2-CB 3.74Å; A67-F69 VanDerWaalsContact C-N 3.32Å
68N49.6Very low49.5Very low55 Ų5548.3 Ų48.329%0.29429%0.289SS..SBendtrans57.944.1-176.2-53.9-43.1000112.3F4F4-N68 WeakPolarHBondContact CD1-OD1 3.23Å; F4-N68 WeakPolarHBondContact CE1-OD1 3.3Å
69F48.2Very low49.7Very low41 Ų4140.2 Ų40.218%0.1825%0.247CC..  trans-56.7127.8179.2-162.8-97.2000109.7V7 I66 A67 F76 M97V7-F69 HydrophobicContact CG2-CB 4.15Å; V7-F69 HydrophobicContact CG2-CD2 4.33Å; V7-F69 HydrophobicContact CG2-CG 4.19Å; I66-F69 HydrophobicContact CB-CD2 4.05Å; I66-F69 HydrophobicContact CD1-CD2 4.13Å; I66-F69 HydrophobicContact CD1-CE2 4.07Å; I66-F69 HydrophobicContact CG2-CD2 3.82Å; A67-F69 VanDerWaalsContact C-N 3.32Å; F69-F76 HydrophobicContact CD2-CD2 4.42Å; F69-F76 HydrophobicContact CE2-CB 3.84Å; F69-F76 HydrophobicContact CE2-CD1 4.11Å; F69-F76 AromaticContact CE2-CD2 3.61Å; F69-F76 HydrophobicContact CE2-CD2 3.61Å; F69-F76 HydrophobicContact CE2-CE2 4.26Å; F69-F76 AromaticContact CE2-CG 3.57Å; F69-F76 HydrophobicContact CE2-CG 3.57Å; F69-F76 HydrophobicContact CZ-CB 3.78Å; F69-F76 HydrophobicContact CZ-CD1 4.27Å; F69-F76 HydrophobicContact CZ-CD2 4.38Å; F69-F76 AromaticContact CZ-CG 3.89Å; F69-F76 HydrophobicContact CZ-CG 3.89Å; F69-M97 HydrophobicContact CD2-CE 4.23Å; F69-M97 HydrophobicContact CE1-CE 4.44Å; F69-M97 HydrophobicContact CE2-CE 3.45Å; F69-M97 VanDerWaalsContact CE2-CE 3.45Å; F69-M97 HydrophobicContact CZ-CE 3.59Å
70P47.8Very low49.9Very low29 Ų2938.9 Ų38.919%0.18823%0.231CC..  trans-63146179.325.4-32.3000109.7S72 A75P70-S72 PolarHBondContact O-N 3.47Å; P70-S72 VanDerWaalsContact O-N 3.09Å; P70-A75 HydrophobicContact CG-CB 4.23Å
71S49Very low49.7Very low137 Ų13734.9 Ų34.996%0.95821%0.209SC*.SBendtrans-61.3-17.1172.354.90000112.9
72S49.1Very low49.5Very low63 Ų6342.5 Ų42.544%0.44124%0.244SC..  trans-112.4116.5177.963.70000111.4P70 D74P70-S72 PolarHBondContact O-N 3.47Å; P70-S72 VanDerWaalsContact O-N 3.09Å; S72-D74 VanDerWaalsContact C-N 3.28Å; S72-D74 PolarHBondContact O-N 3.18Å
73Y50.5Low49.2Very low34 Ų3442.7 Ų42.713%0.13325%0.245CC..Hα-helixtrans-56.4-34.3178.9177.6-97.5000114.5A75 F76 G77 F90 E94 M97Y73-A75 PolarHBondContact O-N 3.04Å; Y73-F76 HydrophobicContact CE2-CD1 4.34Å; Y73-F76 WeakPolarHBondContact O-CA 3.45Å; Y73-F76 WeakPolarHBondContact O-CB 3.05Å; Y73-F76 PolarHBondContact O-N 2.89Å; Y73-G77 PolarHBondContact O-N 3.32Å; Y73-F90 PolarHBondContact OH-O 2.7Å; Y73-E94 HydrophobicContact CD1-CG 3.85Å; Y73-E94 HydrophobicContact CE1-CB 3.62Å; Y73-E94 VanDerWaalsContact CE1-CD 3.42Å; Y73-E94 HydrophobicContact CE1-CG 3.32Å; Y73-E94 WeakPolarHBondContact CE1-OE2 3.29Å; Y73-E94 HydrophobicContact CE2-CB 4.13Å; Y73-E94 HydrophobicContact CE2-CG 4.21Å; Y73-E94 HydrophobicContact CG-CG 4.48Å; Y73-E94 WeakPolarHBondContact OH-CA 3.34Å; Y73-E94 WeakPolarHBondContact OH-CB 3.33Å; Y73-E94 PolarHBondContact OH-N 2.84Å; Y73-E94 VanDerWaalsContact OH-N 3.12Å; Y73-M97 HydrophobicContact CD2-CB 4.31Å; Y73-M97 HydrophobicContact CE2-CB 4.18Å; Y73-M97 HydrophobicContact CE2-CG 4.37Å
74D50.9Low48.8Very low124 Ų12443.5 Ų43.566%0.66325%0.25SC*.Hα-helixtrans-52.5-35.7-174.5-63.9-12.9000112.8S72 S78S72-D74 VanDerWaalsContact C-N 3.28Å; S72-D74 PolarHBondContact O-N 3.18Å; D74-S78 WeakPolarHBondContact O-CB 3.01Å; D74-S78 PolarHBondContact O-N 3.5Å
75A48.5Very low48.2Very low25 Ų2551.2 Ų51.221%0.20729%0.291CS..Hα-helixtrans-67.8-39.9177.300000112.1N37 W39 P70 Y73 A79N37-A75 PolarHBondContact ND2-O 3Å; W39-A75 WeakPolarHBondContact CZ2-O 3.3Å; P70-A75 HydrophobicContact CG-CB 4.23Å; Y73-A75 PolarHBondContact O-N 3.04Å; A75-A79 WeakPolarHBondContact O-CB 3.24Å; A75-A79 PolarHBondContact O-N 3.21Å; A75-A79 VanDerWaalsContact O-N 3.15Å
76F50.6Low47.6Very low1 Ų152.7 Ų52.70%0.00430%0.295CS..Hα-helixtrans-69.2-55.2178.5-175.1-99.1000111.6L9 W39 I66 F69 Y73 S78 A79 I80 V93 M97L9-F76 HydrophobicContact CD1-CE1 3.66Å; L9-F76 HydrophobicContact CD1-CE2 4.41Å; L9-F76 HydrophobicContact CD1-CZ 3.36Å; W39-F76 AromaticContact CE3-CD2 3.76Å; W39-F76 HydrophobicContact CE3-CD2 3.76Å; W39-F76 HydrophobicContact CE3-CE2 4.07Å; W39-F76 VanDerWaalsContact CH2-CA 3.45Å; W39-F76 HydrophobicContact CH2-CB 4.04Å; W39-F76 AromaticContact CH2-CD2 3.28Å; W39-F76 HydrophobicContact CH2-CD2 3.28Å; W39-F76 AromaticContact CH2-CE2 3.96Å; W39-F76 HydrophobicContact CH2-CE2 3.96Å; W39-F76 HydrophobicContact CH2-CG 4.01Å; W39-F76 HydrophobicContact CZ2-CB 4.26Å; W39-F76 HydrophobicContact CZ2-CD2 4.11Å; W39-F76 AromaticContact CZ3-CD2 3.05Å; W39-F76 HydrophobicContact CZ3-CD2 3.05Å; W39-F76 AromaticContact CZ3-CE2 3.35Å; W39-F76 HydrophobicContact CZ3-CE2 3.35Å; W39-F76 HydrophobicContact CZ3-CG 4.18Å; I66-F76 HydrophobicContact CD1-CD2 3.88Å; I66-F76 HydrophobicContact CD1-CE1 4.33Å; I66-F76 HydrophobicContact CD1-CE2 3.08Å; I66-F76 HydrophobicContact CD1-CZ 3.33Å; I66-F76 HydrophobicContact CG1-CD2 4.5Å; I66-F76 HydrophobicContact CG1-CE2 3.74Å; I66-F76 HydrophobicContact CG1-CZ 4.36Å; F69-F76 HydrophobicContact CD2-CD2 4.42Å; F69-F76 HydrophobicContact CE2-CB 3.84Å; F69-F76 HydrophobicContact CE2-CD1 4.11Å; F69-F76 AromaticContact CE2-CD2 3.61Å; F69-F76 HydrophobicContact CE2-CD2 3.61Å; F69-F76 HydrophobicContact CE2-CE2 4.26Å; F69-F76 AromaticContact CE2-CG 3.57Å; F69-F76 HydrophobicContact CE2-CG 3.57Å; F69-F76 HydrophobicContact CZ-CB 3.78Å; F69-F76 HydrophobicContact CZ-CD1 4.27Å; F69-F76 HydrophobicContact CZ-CD2 4.38Å; F69-F76 AromaticContact CZ-CG 3.89Å; F69-F76 HydrophobicContact CZ-CG 3.89Å; Y73-F76 HydrophobicContact CE2-CD1 4.34Å; Y73-F76 WeakPolarHBondContact O-CA 3.45Å; Y73-F76 WeakPolarHBondContact O-CB 3.05Å; Y73-F76 PolarHBondContact O-N 2.89Å; F76-S78 VanDerWaalsContact C-N 3.3Å; F76-S78 PolarHBondContact O-N 3.23Å; F76-A79 PolarHBondContact O-N 2.83Å; F76-I80 HydrophobicContact CD1-CD1 4.22Å; F76-I80 HydrophobicContact CD2-CD1 4.44Å; F76-I80 HydrophobicContact CE1-CD1 3.45Å; F76-I80 VanDerWaalsContact CE1-CD1 3.45Å; F76-I80 HydrophobicContact CE1-CG1 4.42Å; F76-I80 HydrophobicContact CE2-CD1 3.64Å; F76-I80 HydrophobicContact CE2-CG1 4.36Å; F76-I80 HydrophobicContact CZ-CD1 3.09Å; F76-I80 HydrophobicContact CZ-CG1 4.18Å; F76-I80 PolarHBondContact O-N 2.93Å; F76-V93 HydrophobicContact CE1-CG1 3.97Å; F76-M97 HydrophobicContact CE1-CE 4.42Å
77G50.2Low47Very low0 Ų059.5 Ų59.50%033%0.327CS..Hα-helixtrans-54.8-47.217700000111.2Y73 A79 I80 M81Y73-G77 PolarHBondContact O-N 3.32Å; G77-A79 PolarHBondContact O-N 3.4Å; G77-I80 PolarHBondContact O-N 2.71Å; G77-M81 WeakPolarHBondContact O-CB 3.19Å; G77-M81 WeakPolarHBondContact O-CG 3.46Å; G77-M81 PolarHBondContact O-N 2.9Å
78S47.6Very low46.5Very low68 Ų6861.7 Ų61.748%0.47634%0.341SS..Hα-helixtrans-63.1-41.3-179.7-173.70000113.3D74 F76 I80 H82D74-S78 WeakPolarHBondContact O-CB 3.01Å; D74-S78 PolarHBondContact O-N 3.5Å; F76-S78 VanDerWaalsContact C-N 3.3Å; F76-S78 PolarHBondContact O-N 3.23Å; S78-I80 VanDerWaalsContact C-N 3.32Å; S78-I80 PolarHBondContact O-N 3.44Å; S78-H82 WeakPolarHBondContact O-CB 3.21Å; S78-H82 PolarHBondContact O-N 3.12Å
79A47.6Very low46.2Very low7 Ų759.1 Ų59.16%0.05833%0.327CS..Hα-helixtrans-69.3-33.5-175.700000112.1A33 A36 W39 A75 F76 G77A33-A79 HydrophobicContact CB-CB 4.04Å; A36-A79 HydrophobicContact CB-CB 4.23Å; W39-A79 HydrophobicContact CH2-CB 3.69Å; W39-A79 HydrophobicContact CZ2-CB 4.04Å; A75-A79 WeakPolarHBondContact O-CB 3.24Å; A75-A79 PolarHBondContact O-N 3.21Å; A75-A79 VanDerWaalsContact O-N 3.15Å; F76-A79 PolarHBondContact O-N 2.83Å; G77-A79 PolarHBondContact O-N 3.4Å
80I48.5Very low45.9Very low8 Ų857.3 Ų57.34%0.04132%0.32CS..Hα-helixtrans-82.2-40.1175.6-45.1-172000111.5F11 V29 F76 G77 S78 H82 C83 D84 F90F11-I80 HydrophobicContact CZ-CD1 4.29Å; V29-I80 HydrophobicContact CG1-CG2 3.52Å; F76-I80 HydrophobicContact CD1-CD1 4.22Å; F76-I80 HydrophobicContact CD2-CD1 4.44Å; F76-I80 HydrophobicContact CE1-CD1 3.45Å; F76-I80 VanDerWaalsContact CE1-CD1 3.45Å; F76-I80 HydrophobicContact CE1-CG1 4.42Å; F76-I80 HydrophobicContact CE2-CD1 3.64Å; F76-I80 HydrophobicContact CE2-CG1 4.36Å; F76-I80 HydrophobicContact CZ-CD1 3.09Å; F76-I80 HydrophobicContact CZ-CG1 4.18Å; F76-I80 PolarHBondContact O-N 2.93Å; G77-I80 PolarHBondContact O-N 2.71Å; S78-I80 VanDerWaalsContact C-N 3.32Å; S78-I80 PolarHBondContact O-N 3.44Å; I80-H82 PolarHBondContact O-N 2.96Å; I80-C83 PolarHBondContact O-N 3.44Å; I80-D84 PolarHBondContact O-N 2.86Å; I80-F90 HydrophobicContact CB-CD1 4.22Å; I80-F90 HydrophobicContact CB-CE1 3.36Å; I80-F90 HydrophobicContact CB-CE2 4.42Å; I80-F90 HydrophobicContact CB-CZ 3.52Å; I80-F90 HydrophobicContact CD1-CE1 4.09Å; I80-F90 HydrophobicContact CG1-CE1 4.27Å; I80-F90 HydrophobicContact CG2-CD1 4.49Å; I80-F90 HydrophobicContact CG2-CE1 3.27Å; I80-F90 HydrophobicContact CG2-CE2 4.09Å; I80-F90 HydrophobicContact CG2-CZ 3.03Å
81M45Very low45.8Very low70 Ų7060.3 Ų60.335%0.34533%0.334SS..Hα-helixtrans-56.2-33.3173.1-80.3-162.4-79.200112.1G77 C83 D84 F90G77-M81 WeakPolarHBondContact O-CB 3.19Å; G77-M81 WeakPolarHBondContact O-CG 3.46Å; G77-M81 PolarHBondContact O-N 2.9Å; M81-C83 PolarHBondContact O-N 3.29Å; M81-D84 CarbonylContact O-C 3.43Å; M81-D84 PolarHBondContact O-N 2.83Å; M81-D84 VanDerWaalsContact O-O 3.04Å; M81-F90 HydrophobicContact CB-CD2 4.45Å; M81-F90 HydrophobicContact CG-CB 4.01Å; M81-F90 HydrophobicContact CG-CD2 3.49Å; M81-F90 VanDerWaalsContact CG-CD2 3.49Å; M81-F90 HydrophobicContact CG-CE2 4.25Å; M81-F90 HydrophobicContact CG-CG 3.74Å; M81-F90 HydrophobicContact SD-CB 4.46Å
82H44.3Very low45.7Very low172 Ų17257 Ų5780%0.79631%0.305SS*.THydrogen-bonded Turntrans-62-16.9178.2-134.837.7000113.9S78 I80S78-H82 WeakPolarHBondContact O-CB 3.21Å; S78-H82 PolarHBondContact O-N 3.12Å; I80-H82 PolarHBondContact O-N 2.96Å
83C40.7Very low45.6Very low20 Ų2054 Ų5414%0.13528%0.284CS..THydrogen-bonded Turntrans-102.2-19.1177.4-630000114.3V29 N32 I80 M81V29-C83 HydrophobicContact CB-CB 4.3Å; V29-C83 HydrophobicContact CG1-CB 4.16Å; V29-C83 HydrophobicContact CG2-CB 3.76Å; N32-C83 PolarHBondContact ND2-SG 2.95Å; I80-C83 PolarHBondContact O-N 3.44Å; M81-C83 PolarHBondContact O-N 3.29Å
84D41.5Very low45.5Very low17 Ų1754.6 Ų54.69%0.09129%0.289CS..  trans-130.4107.2179.6-160.2-1.9000108P21 I80 M81 R86 F90P21-D84 HydrophobicContact CB-CB 4.36Å; I80-D84 PolarHBondContact O-N 2.86Å; M81-D84 CarbonylContact O-C 3.43Å; M81-D84 PolarHBondContact O-N 2.83Å; M81-D84 VanDerWaalsContact O-O 3.04Å; D84-R86 PolarHBondContact O-N 3.44Å; D84-R86 WeakPolarHBondContact OD1-CD 3.35Å; D84-R86 VanDerWaalsContact OD1-CG 3.23Å; D84-R86 WeakPolarHBondContact OD1-CG 3.45Å; D84-R86 IonicContact OD1-NE 3.61Å; D84-F90 HydrophobicContact CB-CE2 4.32Å
85N42.2Very low45.5Very low166 Ų16653.9 Ų53.989%0.88828%0.281SS*.SBendtrans-60.218.4173.2-90.47.2000113.5
86R42.3Very low45.4Very low63 Ų6356.2 Ų56.224%0.23829%0.293CS..  trans-104.172.3175.6-63.3178.9-175.4178.69.4109.3P19 D84 S88 T89P19-R86 PolarHBondContact O-NH1 3.16Å; P19-R86 PolarHBondContact O-NH2 2.91Å; D84-R86 PolarHBondContact O-N 3.44Å; D84-R86 WeakPolarHBondContact OD1-CD 3.35Å; D84-R86 VanDerWaalsContact OD1-CG 3.23Å; D84-R86 WeakPolarHBondContact OD1-CG 3.45Å; D84-R86 IonicContact OD1-NE 3.61Å; R86-S88 PolarHBondContact O-N 3.39Å; R86-T89 WeakPolarHBondContact CB-OG1 3.47Å; R86-T89 PolarHBondContact O-N 2.91Å; R86-T89 PolarHBondContact O-OG1 3.13Å
87E42.2Very low45.3Very low144 Ų14456.3 Ų56.367%0.67329%0.293SS*.Hα-helixtrans-38.9-46169.9-63.1176.4156.800111T89 F90E87-T89 VanDerWaalsContact C-N 3.28Å; E87-T89 PolarHBondContact O-N 3.34Å; E87-F90 PolarHBondContact O-N 3.2Å
88S39.9Very low45.3Very low51 Ų5164 Ų6436%0.35732%0.322SS..Hα-helixtrans-59.1-16.9-178.363.40000118.7K18 R86K18-S88 PolarHBondContact NZ-OG 2.98Å; R86-S88 PolarHBondContact O-N 3.39Å
89T42.9Very low45.3Very low1 Ų167.8 Ų67.81%0.00633%0.332CS..Hα-helixtrans-87.8-22.4178.1-25.20000111F15 K18 R86 E87F15-T89 HydrophobicContact CD1-CG2 3.49Å; F15-T89 VanDerWaalsContact CD1-CG2 3.49Å; F15-T89 HydrophobicContact CE1-CG2 3.69Å; K18-T89 HydrophobicContact CB-CG2 4.19Å; K18-T89 HydrophobicContact CD-CG2 4.15Å; K18-T89 HydrophobicContact CG-CG2 4.14Å; R86-T89 WeakPolarHBondContact CB-OG1 3.47Å; R86-T89 PolarHBondContact O-N 2.91Å; R86-T89 PolarHBondContact O-OG1 3.13Å; E87-T89 VanDerWaalsContact C-N 3.28Å; E87-T89 PolarHBondContact O-N 3.34Å
90F42.4Very low45.2Very low4 Ų473 Ų732%0.01835%0.354CS..Hα-helixtrans-83.8-24.4178.1-73.6-73.5000113.1F15 Y73 I80 M81 D84 E87 N92 V93 E94F15-F90 HydrophobicContact CZ-CZ 4.43Å; Y73-F90 PolarHBondContact OH-O 2.7Å; I80-F90 HydrophobicContact CB-CD1 4.22Å; I80-F90 HydrophobicContact CB-CE1 3.36Å; I80-F90 HydrophobicContact CB-CE2 4.42Å; I80-F90 HydrophobicContact CB-CZ 3.52Å; I80-F90 HydrophobicContact CD1-CE1 4.09Å; I80-F90 HydrophobicContact CG1-CE1 4.27Å; I80-F90 HydrophobicContact CG2-CD1 4.49Å; I80-F90 HydrophobicContact CG2-CE1 3.27Å; I80-F90 HydrophobicContact CG2-CE2 4.09Å; I80-F90 HydrophobicContact CG2-CZ 3.03Å; M81-F90 HydrophobicContact CB-CD2 4.45Å; M81-F90 HydrophobicContact CG-CB 4.01Å; M81-F90 HydrophobicContact CG-CD2 3.49Å; M81-F90 VanDerWaalsContact CG-CD2 3.49Å; M81-F90 HydrophobicContact CG-CE2 4.25Å; M81-F90 HydrophobicContact CG-CG 3.74Å; M81-F90 HydrophobicContact SD-CB 4.46Å; D84-F90 HydrophobicContact CB-CE2 4.32Å; E87-F90 PolarHBondContact O-N 3.2Å; F90-N92 PolarHBondContact O-N 3.45Å; F90-V93 HydrophobicContact CD1-CB 4.28Å; F90-V93 HydrophobicContact CD1-CG2 4.04Å; F90-V93 HydrophobicContact CE1-CG2 4.33Å; F90-V93 CarbonylContact O-C 3.53Å; F90-V93 WeakPolarHBondContact O-CA 3.25Å; F90-V93 WeakPolarHBondContact O-CB 3.24Å; F90-V93 PolarHBondContact O-N 3.32Å; F90-E94 WeakPolarHBondContact O-CB 3.23Å; F90-E94 PolarHBondContact O-N 3.28Å
91D45.6Very low45Very low92 Ų9278.8 Ų78.849%0.49238%0.379SS..Hα-helixtrans-54.3-37.5170.8-60.2-26.5000111E94 E95D91-E94 WeakPolarHBondContact O-CB 3.27Å; D91-E94 PolarHBondContact O-N 3.3Å; D91-E95 WeakPolarHBondContact O-CB 3.26Å; D91-E95 PolarHBondContact O-N 2.93Å
92N47.4Very low45Very low66 Ų6679.2 Ų79.235%0.35338%0.381SS..Hα-helixtrans-71.1-38.1175.4-75.30.8000112.7F90 E94 E95 V96F90-N92 PolarHBondContact O-N 3.45Å; N92-E94 VanDerWaalsContact C-N 3.3Å; N92-E95 PolarHBondContact O-N 2.65Å; N92-V96 WeakPolarHBondContact O-CB 3.07Å; N92-V96 WeakPolarHBondContact O-CG2 2.92Å; N92-V96 PolarHBondContact O-N 2.68Å
93V47.6Very low45Very low0 Ų074.3 Ų74.30%036%0.359CS..Hα-helixtrans-64.8-42.1173.8-174.30000109.7L9 I14 F76 F90 V96 M97L9-V93 HydrophobicContact CD1-CG1 4.38Å; L9-V93 HydrophobicContact CD2-CG1 4.18Å; I14-V93 HydrophobicContact CB-CG2 4.33Å; I14-V93 HydrophobicContact CD1-CG1 4.49Å; I14-V93 HydrophobicContact CD1-CG2 3.99Å; I14-V93 HydrophobicContact CG1-CG2 4.17Å; I14-V93 HydrophobicContact CG2-CG2 3.26Å; F76-V93 HydrophobicContact CE1-CG1 3.97Å; F90-V93 HydrophobicContact CD1-CB 4.28Å; F90-V93 HydrophobicContact CD1-CG2 4.04Å; F90-V93 HydrophobicContact CE1-CG2 4.33Å; F90-V93 CarbonylContact O-C 3.53Å; F90-V93 WeakPolarHBondContact O-CA 3.25Å; F90-V93 WeakPolarHBondContact O-CB 3.24Å; F90-V93 PolarHBondContact O-N 3.32Å; V93-V96 PolarHBondContact O-N 3.36Å; V93-M97 HydrophobicContact CG1-CG 4.09Å; V93-M97 WeakPolarHBondContact O-CB 3.03Å; V93-M97 WeakPolarHBondContact O-CG 3.07Å; V93-M97 PolarHBondContact O-N 3.11Å
94E47.9Very low45.2Very low47 Ų4777.3 Ų77.322%0.2237%0.371CS..Hα-helixtrans-59.4-49.3176.6-170168.1164.500110.6Y73 F90 D91 N92 M97 R98Y73-E94 HydrophobicContact CD1-CG 3.85Å; Y73-E94 HydrophobicContact CE1-CB 3.62Å; Y73-E94 VanDerWaalsContact CE1-CD 3.42Å; Y73-E94 HydrophobicContact CE1-CG 3.32Å; Y73-E94 WeakPolarHBondContact CE1-OE2 3.29Å; Y73-E94 HydrophobicContact CE2-CB 4.13Å; Y73-E94 HydrophobicContact CE2-CG 4.21Å; Y73-E94 HydrophobicContact CG-CG 4.48Å; Y73-E94 WeakPolarHBondContact OH-CA 3.34Å; Y73-E94 WeakPolarHBondContact OH-CB 3.33Å; Y73-E94 PolarHBondContact OH-N 2.84Å; Y73-E94 VanDerWaalsContact OH-N 3.12Å; F90-E94 WeakPolarHBondContact O-CB 3.23Å; F90-E94 PolarHBondContact O-N 3.28Å; D91-E94 WeakPolarHBondContact O-CB 3.27Å; D91-E94 PolarHBondContact O-N 3.3Å; N92-E94 VanDerWaalsContact C-N 3.3Å; E94-M97 PolarHBondContact O-N 3.3Å; E94-R98 HydrophobicContact CG-CG 4.24Å; E94-R98 VanDerWaalsContact O-CB 3.28Å; E94-R98 WeakPolarHBondContact O-CB 3.45Å; E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.31Å; E94-R98 PolarHBondContact O-N 2.72Å; E94-R98 IonicContact OE1-CZ 3.21Å; E94-R98 IonicContact OE1-NE 2.83Å; E94-R98 PolarHBondContact OE1-NE 3.15Å; E94-R98 IonicContact OE1-NH2 2.71Å; E94-R98 PolarHBondContact OE1-NH2 2.94Å
95E49.9Very low45.5Very low110 Ų11080.9 Ų80.951%0.51439%0.388SS..Hα-helixtrans-63.2-47.9179.7-169.8177.9-176.800111.4D91 N92 M97 R98 Q99D91-E95 WeakPolarHBondContact O-CB 3.26Å; D91-E95 PolarHBondContact O-N 2.93Å; N92-E95 PolarHBondContact O-N 2.65Å; E95-M97 VanDerWaalsContact C-N 3.26Å; E95-M97 PolarHBondContact O-N 3.34Å; E95-R98 PolarHBondContact O-N 3.13Å; E95-Q99 WeakPolarHBondContact O-CB 3.42Å; E95-Q99 VanDerWaalsContact O-CG 3.26Å; E95-Q99 WeakPolarHBondContact O-CG 3.41Å; E95-Q99 PolarHBondContact O-N 2.63Å
96V47.9Very low45.7Very low73 Ų7375.6 Ų75.644%0.44236%0.356SS..Hα-helixtrans-61.6-36.4177.2171.90000111.4N92 V93 K100N92-V96 WeakPolarHBondContact O-CB 3.07Å; N92-V96 WeakPolarHBondContact O-CG2 2.92Å; N92-V96 PolarHBondContact O-N 2.68Å; V93-V96 PolarHBondContact O-N 3.36Å; V96-K100 PolarHBondContact O-N 2.91Å
97M47.1Very low45.9Very low4 Ų476.4 Ų76.42%0.0236%0.364CS..Hα-helixtrans-75.5-42.6178.5-70.5-67.3-12300112.3V7 L9 I66 F69 Y73 F76 V93 E94 E95 Q99 K100 F101V7-M97 HydrophobicContact CB-CE 4.24Å; V7-M97 HydrophobicContact CG1-CE 3.64Å; V7-M97 HydrophobicContact CG1-SD 3.54Å; V7-M97 VanDerWaalsContact CG1-SD 3.54Å; L9-M97 HydrophobicContact CD1-CE 3.8Å; L9-M97 HydrophobicContact CD2-CE 3.53Å; L9-M97 HydrophobicContact CD2-CG 3.99Å; L9-M97 HydrophobicContact CD2-SD 3.42Å; L9-M97 WeakPolarHBondContact CD2-SD 3.46Å; L9-M97 HydrophobicContact CG-CE 3.82Å; L9-M97 HydrophobicContact CG-SD 4.31Å; I66-M97 HydrophobicContact CD1-CE 4.41Å; F69-M97 HydrophobicContact CD2-CE 4.23Å; F69-M97 HydrophobicContact CE1-CE 4.44Å; F69-M97 HydrophobicContact CE2-CE 3.45Å; F69-M97 VanDerWaalsContact CE2-CE 3.45Å; F69-M97 HydrophobicContact CZ-CE 3.59Å; Y73-M97 HydrophobicContact CD2-CB 4.31Å; Y73-M97 HydrophobicContact CE2-CB 4.18Å; Y73-M97 HydrophobicContact CE2-CG 4.37Å; F76-M97 HydrophobicContact CE1-CE 4.42Å; V93-M97 HydrophobicContact CG1-CG 4.09Å; V93-M97 WeakPolarHBondContact O-CB 3.03Å; V93-M97 WeakPolarHBondContact O-CG 3.07Å; V93-M97 PolarHBondContact O-N 3.11Å; E94-M97 PolarHBondContact O-N 3.3Å; E95-M97 VanDerWaalsContact C-N 3.26Å; E95-M97 PolarHBondContact O-N 3.34Å; M97-Q99 PolarHBondContact O-N 3.29Å; M97-K100 PolarHBondContact O-N 3.44Å; M97-F101 PolarHBondContact O-N 3.42Å; M97-F101 HydrophobicContact SD-CE2 4.26Å
98R50.2Low46.2Very low161 Ų16171.6 Ų71.661%0.60834%0.342SS*.Hα-helixtrans-62.6-26.7173.6-77.7178.9-179.9-94.32.8112.8E94 E95 K100 F101E94-R98 HydrophobicContact CG-CG 4.24Å; E94-R98 VanDerWaalsContact O-CB 3.28Å; E94-R98 WeakPolarHBondContact O-CB 3.45Å; E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.31Å; E94-R98 PolarHBondContact O-N 2.72Å; E94-R98 IonicContact OE1-CZ 3.21Å; E94-R98 IonicContact OE1-NE 2.83Å; E94-R98 PolarHBondContact OE1-NE 3.15Å; E94-R98 IonicContact OE1-NH2 2.71Å; E94-R98 PolarHBondContact OE1-NH2 2.94Å; E95-R98 PolarHBondContact O-N 3.13Å; R98-K100 VanDerWaalsContact C-N 3.3Å; R98-F101 VanDerWaalsContact O-OXT 3.06Å
99Q48.7Very low46.6Very low147 Ų14773.2 Ų73.269%0.68734%0.341SS*.THydrogen-bonded Turntrans-77.5-19.3173.2-73.817811.300112.6E95 M97E95-Q99 WeakPolarHBondContact O-CB 3.42Å; E95-Q99 VanDerWaalsContact O-CG 3.26Å; E95-Q99 WeakPolarHBondContact O-CG 3.41Å; E95-Q99 PolarHBondContact O-N 2.63Å; M97-Q99 PolarHBondContact O-N 3.29Å
100K44.8Very low46.9Very low117 Ų11779.2 Ų79.251%0.50937%0.369SS..THydrogen-bonded Turntrans-98.8-27-175.5-157.7168.6-177176.30113.3V7 V96 M97 R98V7-K100 HydrophobicContact CG1-CD 4.46Å; V96-K100 PolarHBondContact O-N 2.91Å; M97-K100 PolarHBondContact O-N 3.44Å; R98-K100 VanDerWaalsContact C-N 3.3Å
101F43.7Very low47.4Very low129 Ų12986 Ų8657%0.56640%0.401SS*.  trans-123.90178.9-63.3-75000111.2E5 V7 M97 R98E5-F101 HydrophobicContact CG-CE1 4.37Å; E5-F101 WeakPolarHBondContact OE2-CE1 3.27Å; V7-F101 HydrophobicContact CB-CE2 4.39Å; V7-F101 HydrophobicContact CB-CZ 4.37Å; V7-F101 HydrophobicContact CG1-CE2 3.75Å; V7-F101 HydrophobicContact CG1-CZ 4.09Å; V7-F101 HydrophobicContact CG2-CE2 3.73Å; V7-F101 HydrophobicContact CG2-CZ 3.4Å; V7-F101 VanDerWaalsContact CG2-CZ 3.4Å; M97-F101 PolarHBondContact O-N 3.42Å; M97-F101 HydrophobicContact SD-CE2 4.26Å; R98-F101 VanDerWaalsContact O-OXT 3.06Å

Retrieved 101 of 101 residues in 61.6 ms (Link to these results)

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