A0A077ZJZ1_TRITR Loading...

Proteasome assembly chaperone 4

AlphaFold DB , UniProt , Accession A0A077ZJZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 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
1M42.4Very low72.5Confident235 Ų23592.9 Ų92.9100%1.15853%0.534SS*.  0113.40-87.2173.8167.500106.2D3M1-D3 PolarHBondContact O-N 3.29Å
2N53.1Low74.4Confident156 Ų15695 Ų9583%0.83453%0.533SS*.  trans-70.7108.8168.8-72.7-13.7000106.4D4N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 3.12Å
3D60.2Low76.1Confident130 Ų13090.7 Ų90.770%0.69551%0.506SS*.  trans-76.382.3177.4-176.514.6000109.2M1 S5M1-D3 PolarHBondContact O-N 3.29Å; D3-S5 PolarHBondContact O-N 3.25Å; D3-S5 VanDerWaalsContact O-N 3.16Å; D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.48Å; D3-S5 PolarHBondContact OD1-OG 3.43Å; D3-S5 PolarHBondContact OD2-OG 2.88Å
4D63.9Low77.6Confident82 Ų8288.4 Ų88.444%0.43950%0.495SS..G310 helixtrans-70.52.8175.4-9625.9000112.5N2 G6 M7 R9N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 3.12Å; D4-G6 PolarHBondContact O-N 3.08Å; D4-G6 VanDerWaalsContact O-N 3.09Å; D4-M7 PolarHBondContact O-N 3.14Å; D4-R9 IonicContact OD2-NH2 2.72Å; D4-R9 PolarHBondContact OD2-NH2 2.96Å
5S61.8Low78.8Confident72 Ų7284.3 Ų84.350%0.50347%0.474SS..G310 helixtrans-60-24.1-174.467.90000113.7D3 S30D3-S5 PolarHBondContact O-N 3.25Å; D3-S5 VanDerWaalsContact O-N 3.16Å; D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.48Å; D3-S5 PolarHBondContact OD1-OG 3.43Å; D3-S5 PolarHBondContact OD2-OG 2.88Å; S5-S30 PolarHBondContact O-OG 3.16Å
6G65.7Low79.9Confident67 Ų6788.5 Ų88.569%0.69149%0.489SS*.G310 helixtrans-95.5-4177.100000115.6D4 C8D4-G6 PolarHBondContact O-N 3.08Å; D4-G6 VanDerWaalsContact O-N 3.09Å; G6-C8 PolarHBondContact O-N 3.34Å
7M81.6Confident80.8Confident83 Ų8387.1 Ų87.141%0.40948%0.477SS..  trans-81108.1-171.9-165.7169.766.700111.8D4 R9D4-M7 PolarHBondContact O-N 3.14Å; M7-R9 HydrophobicContact CE-CG 4.36Å
8C88.3Confident81.5Confident48 Ų4888.4 Ų88.432%0.32448%0.483SS..  trans-75.7125.6166.6-179.90000109.8G6 Y29G6-C8 PolarHBondContact O-N 3.34Å; C8-Y29 HydrophobicContact CB-CD1 3.95Å; C8-Y29 HydrophobicContact CB-CE1 3.58Å
9R90.7Very high82.1Confident38 Ų3893.7 Ų93.714%0.14350%0.504CS..EExtended strand (participates in β ladder)trans-102.4129.1169.7-64.3178.2179.778.6-1109.1D4 M7 N27 S28 L115D4-R9 IonicContact OD2-NH2 2.72Å; D4-R9 PolarHBondContact OD2-NH2 2.96Å; M7-R9 HydrophobicContact CE-CG 4.36Å; R9-N27 CarbonylContact O-C 3.58Å; R9-N27 WeakPolarHBondContact O-CA 3.41Å; R9-S28 PolarHBondContact N-O 3.21Å; R9-S28 PolarHBondContact O-N 3.11Å; R9-L115 HydrophobicContact CB-CD2 4.02Å
10T94Very high82.7Confident83 Ų8393 Ų9351%0.50950%0.498SS..EExtended strand (participates in β ladder)trans-117.2132.5-176.4-57.80000109.9L25 L26 N27T10-L25 HydrophobicContact CG2-CD1 3.53Å; T10-L26 WeakPolarHBondContact CA-O 3.44Å; T10-N27 VanDerWaalsContact CG2-ND2 3.31Å; T10-N27 WeakPolarHBondContact CG2-ND2 3.29Å; T10-N27 PolarHBondContact OG1-ND2 3.32Å
11V95.4Very high83.3Confident28 Ų2893.5 Ų93.517%0.1750%0.497CS..EExtended strand (participates in β ladder)trans-127.8135.7167.1640000109E13 L25 L26 M111 L115V11-E13 HydrophobicContact CG2-CG 4.07Å; V11-L25 WeakPolarHBondContact O-CA 3.43Å; V11-L26 HydrophobicContact CG1-CB 3.79Å; V11-L26 PolarHBondContact N-O 3.17Å; V11-L26 PolarHBondContact O-N 3.09Å; V11-M111 HydrophobicContact CG1-CB 4.14Å; V11-M111 HydrophobicContact CG1-CE 3.63Å; V11-M111 HydrophobicContact CG2-CE 4.34Å; V11-L115 HydrophobicContact CB-CD1 4.29Å; V11-L115 HydrophobicContact CB-CD2 4.09Å; V11-L115 HydrophobicContact CB-CG 4.25Å; V11-L115 HydrophobicContact CG1-CD1 3.63Å; V11-L115 HydrophobicContact CG1-CD2 4.29Å; V11-L115 HydrophobicContact CG1-CG 3.91Å
12F96.1Very high85.9Confident118 Ų11882.9 Ų82.952%0.51844%0.444SS..EExtended strand (participates in β ladder)trans-122.3129173178.4-93.9000108.3T14 H23 F24 L25 W36F12-T14 WeakPolarHBondContact CE1-OG1 3.35Å; F12-H23 HydrophobicContact CE2-CB 4.21Å; F12-H23 HydrophobicContact CZ-CB 4.19Å; F12-F24 CarbonylContact C-O 3.55Å; F12-F24 VanDerWaalsContact CA-O 3.27Å; F12-F24 WeakPolarHBondContact CA-O 3.42Å; F12-F24 WeakPolarHBondContact CD2-O 3.44Å; F12-L25 HydrophobicContact CB-CD1 4.33Å; F12-L25 HydrophobicContact CD2-CB 4.22Å; F12-L25 HydrophobicContact CD2-CD1 4.42Å; F12-W36 HydrophobicContact CE2-CZ3 4.09Å
13E96.7Very high88Confident39 Ų3976.8 Ų76.818%0.18241%0.411CS..EExtended strand (participates in β ladder)trans-134.7145.2175.8-64.6-169-159.700109.5V11 F24 K107 M111 K114V11-E13 HydrophobicContact CG2-CG 4.07Å; E13-F24 PolarHBondContact N-O 3.42Å; E13-F24 PolarHBondContact O-N 3.32Å; E13-K107 WeakPolarHBondContact OE2-CE 3.32Å; E13-K107 IonicContact OE2-NZ 3.54Å; E13-K107 PolarHBondContact OE2-NZ 3.14Å; E13-M111 HydrophobicContact CB-CE 4.18Å; E13-M111 HydrophobicContact CB-SD 4.34Å; E13-M111 HydrophobicContact CG-CE 4.16Å; E13-M111 HydrophobicContact CG-SD 4.49Å; E13-K114 IonicContact OE1-NZ 3.42Å; E13-K114 PolarHBondContact OE1-NZ 3.08Å
14T97Very high89.8Confident58 Ų5870.7 Ų70.736%0.35638%0.378SS..EExtended strand (participates in β ladder)trans-121.2137.5169.3-62.20000107.9F12 E21 Y22 H23F12-T14 WeakPolarHBondContact CE1-OG1 3.35Å; T14-E21 VanDerWaalsContact CG2-CD 3.47Å; T14-E21 HydrophobicContact CG2-CG 3.49Å; T14-E21 VanDerWaalsContact CG2-CG 3.49Å; T14-E21 VanDerWaalsContact CG2-OE2 3.31Å; T14-E21 WeakPolarHBondContact CG2-OE2 3.33Å; T14-Y22 WeakPolarHBondContact CA-O 3.03Å; T14-H23 VanDerWaalsContact CG2-ND1 3.33Å; T14-H23 WeakPolarHBondContact CG2-ND1 3.36Å; T14-H23 PolarHBondContact OG1-ND1 3.28Å
15C95.5Very high91.4Very high27 Ų2768.5 Ų68.518%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-153.7151.417755.20000111.4Y22 F24 F103C15-Y22 PolarHBondContact N-O 3.39Å; C15-Y22 PolarHBondContact O-N 3.13Å; C15-F24 WeakPolarHBondContact SG-CE2 3.48Å; C15-F103 VanDerWaalsContact SG-CZ 3.59Å
16E95.9Very high93Very high152 Ų15265.1 Ų65.171%0.7134%0.342SS*.EExtended strand (participates in β ladder)trans-92.7138.9176.6-165.3-175.3139.500110.8Q20E16-Q20 WeakPolarHBondContact CA-O 3.42Å
17F95.9Very high94.4Very high64 Ų6463 Ų6328%0.28132%0.315SS..EExtended strand (participates in β ladder)trans-150134.1171.9178.2-96.3000109.2E19 Q20 Y22 K99 V100 F103F17-E19 VanDerWaalsContact C-N 3.28Å; F17-E19 PolarHBondContact O-N 3.49Å; F17-Q20 PolarHBondContact N-O 3.46Å; F17-Q20 PolarHBondContact O-N 3.36Å; F17-Q20 VanDerWaalsContact O-O 3.1Å; F17-Y22 HydrophobicContact CB-CD2 4.08Å; F17-Y22 HydrophobicContact CB-CE2 3.9Å; F17-Y22 HydrophobicContact CD1-CE2 4.32Å; F17-Y22 WeakPolarHBondContact O-CE2 3.29Å; F17-K99 HydrophobicContact CE1-CB 4.43Å; F17-K99 HydrophobicContact CZ-CB 4.31Å; F17-V100 HydrophobicContact CD1-CG2 4.28Å; F17-V100 HydrophobicContact CE1-CG2 4.04Å; F17-F103 HydrophobicContact CB-CD1 3.8Å; F17-F103 HydrophobicContact CB-CD2 4.13Å; F17-F103 HydrophobicContact CB-CE1 3.49Å; F17-F103 VanDerWaalsContact CB-CE1 3.49Å; F17-F103 HydrophobicContact CB-CE2 3.83Å; F17-F103 HydrophobicContact CB-CG 4.1Å; F17-F103 HydrophobicContact CB-CZ 3.48Å; F17-F103 VanDerWaalsContact CB-CZ 3.48Å; F17-F103 HydrophobicContact CD1-CB 4.03Å; F17-F103 AromaticContact CD1-CD1 3.7Å; F17-F103 HydrophobicContact CD1-CD1 3.7Å; F17-F103 HydrophobicContact CD1-CD2 4.46Å; F17-F103 HydrophobicContact CD1-CE1 4.27Å; F17-F103 AromaticContact CD1-CG 3.81Å; F17-F103 HydrophobicContact CD1-CG 3.81Å; F17-F103 HydrophobicContact CD2-CB 4.16Å; F17-F103 HydrophobicContact CD2-CD1 4.28Å; F17-F103 AromaticContact CD2-CD2 3.6Å; F17-F103 HydrophobicContact CD2-CD2 3.6Å; F17-F103 AromaticContact CD2-CE2 4Å; F17-F103 HydrophobicContact CD2-CE2 4Å; F17-F103 AromaticContact CD2-CG 3.75Å; F17-F103 HydrophobicContact CD2-CG 3.75Å; F17-F103 HydrophobicContact CD2-CZ 4.49Å; F17-F103 HydrophobicContact CE1-CB 3.85Å; F17-F103 HydrophobicContact CE1-CD1 4.36Å; F17-F103 HydrophobicContact CE1-CG 4.15Å; F17-F103 HydrophobicContact CE2-CB 3.99Å; F17-F103 HydrophobicContact CE2-CD2 4.11Å; F17-F103 HydrophobicContact CE2-CG 4.09Å; F17-F103 HydrophobicContact CG-CB 4.19Å; F17-F103 AromaticContact CG-CD1 3.65Å; F17-F103 HydrophobicContact CG-CD1 3.65Å; F17-F103 AromaticContact CG-CD2 3.81Å; F17-F103 HydrophobicContact CG-CD2 3.81Å; F17-F103 AromaticContact CG-CE1 3.91Å; F17-F103 HydrophobicContact CG-CE1 3.91Å; F17-F103 HydrophobicContact CG-CE2 4.03Å; F17-F103 AromaticContact CG-CG 3.6Å; F17-F103 HydrophobicContact CG-CG 3.6Å; F17-F103 HydrophobicContact CG-CZ 4.07Å; F17-F103 HydrophobicContact CZ-CB 3.83Å; F17-F103 HydrophobicContact CZ-CG 4.28Å
18D93.2Very high95Very high111 Ų11159.1 Ų59.159%0.59430%0.296SS*.THydrogen-bonded Turntrans52.745.5177.3-149.531.8000112.7Q20D18-Q20 PolarHBondContact O-N 3.48Å; D18-Q20 VanDerWaalsContact O-N 3.1Å
19E92.9Very high95.2Very high189 Ų18961.4 Ų61.488%0.88330%0.299SS*.THydrogen-bonded Turntrans62.612.8-179.2-53179.2172.700114.9F17F17-E19 VanDerWaalsContact C-N 3.28Å; F17-E19 PolarHBondContact O-N 3.49Å
20Q93.8Very high95.1Very high79 Ų7962.6 Ų62.637%0.36931%0.313SS..EExtended strand (participates in β ladder)trans-119.7134.6177.2178.760.269.500111.2E16 F17 D18 Y22 T39E16-Q20 WeakPolarHBondContact CA-O 3.42Å; F17-Q20 PolarHBondContact N-O 3.46Å; F17-Q20 PolarHBondContact O-N 3.36Å; F17-Q20 VanDerWaalsContact O-O 3.1Å; D18-Q20 PolarHBondContact O-N 3.48Å; D18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-Y22 HydrophobicContact CB-CE2 3.83Å; Q20-Y22 HydrophobicContact CG-CD2 4.41Å; Q20-Y22 HydrophobicContact CG-CE1 4.03Å; Q20-Y22 HydrophobicContact CG-CE2 3.86Å; Q20-Y22 VanDerWaalsContact O-CD2 3.29Å; Q20-Y22 WeakPolarHBondContact O-CD2 3.37Å; Q20-Y22 WeakPolarHBondContact O-CE2 3.29Å; Q20-T39 HydrophobicContact CG-CG2 3.65Å
21E95.8Very high94.9Very high104 Ų10465.6 Ų65.649%0.48632%0.321SS..EExtended strand (participates in β ladder)trans-79.8132.9170.6-173.5172.273.400110.6T14 H23T14-E21 VanDerWaalsContact CG2-CD 3.47Å; T14-E21 HydrophobicContact CG2-CG 3.49Å; T14-E21 VanDerWaalsContact CG2-CG 3.49Å; T14-E21 VanDerWaalsContact CG2-OE2 3.31Å; T14-E21 WeakPolarHBondContact CG2-OE2 3.33Å; E21-H23 IonicContact OE1-CE1 2.7Å; E21-H23 PolarHBondContact OE1-CE1 3.3Å; E21-H23 IonicContact OE1-NE2 3.45Å; E21-H23 PolarHBondContact OE1-NE2 2.99Å
22Y96.7Very high94.9Very high13 Ų1365.4 Ų65.45%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-122.7137.6175.3-62.4-84.6000110.7T14 C15 F17 Q20 F24 T39 V93 V100 F103 I104T14-Y22 WeakPolarHBondContact CA-O 3.03Å; C15-Y22 PolarHBondContact N-O 3.39Å; C15-Y22 PolarHBondContact O-N 3.13Å; F17-Y22 HydrophobicContact CB-CD2 4.08Å; F17-Y22 HydrophobicContact CB-CE2 3.9Å; F17-Y22 HydrophobicContact CD1-CE2 4.32Å; F17-Y22 WeakPolarHBondContact O-CE2 3.29Å; Q20-Y22 HydrophobicContact CB-CE2 3.83Å; Q20-Y22 HydrophobicContact CG-CD2 4.41Å; Q20-Y22 HydrophobicContact CG-CE1 4.03Å; Q20-Y22 HydrophobicContact CG-CE2 3.86Å; Q20-Y22 VanDerWaalsContact O-CD2 3.29Å; Q20-Y22 WeakPolarHBondContact O-CD2 3.37Å; Q20-Y22 WeakPolarHBondContact O-CE2 3.29Å; Y22-F24 VanDerWaalsContact CB-CE2 3.48Å; Y22-T39 HydrophobicContact CD1-CG2 3.79Å; Y22-T39 HydrophobicContact CE1-CG2 3.71Å; Y22-V93 HydrophobicContact CD1-CG1 4.28Å; Y22-V93 HydrophobicContact CD1-CG2 4.09Å; Y22-V93 HydrophobicContact CE1-CG1 3.61Å; Y22-V93 HydrophobicContact CE1-CG2 4.26Å; Y22-V100 HydrophobicContact CE1-CG1 4.28Å; Y22-F103 HydrophobicContact CD2-CD1 4.47Å; Y22-F103 AromaticContact CD2-CE1 3.65Å; Y22-F103 HydrophobicContact CD2-CE1 3.65Å; Y22-F103 HydrophobicContact CD2-CZ 4.4Å; Y22-F103 HydrophobicContact CE2-CE1 4.08Å; Y22-F103 HydrophobicContact CG-CE1 4.08Å; Y22-I104 HydrophobicContact CD1-CD1 4.21Å; Y22-I104 HydrophobicContact CE1-CD1 4.17Å
23H97.3Very high94.8Very high28 Ų2859.8 Ų59.813%0.1330%0.297CS..EExtended strand (participates in β ladder)trans-111.4140.2174.5-48.7-74.8000110.2F12 T14 E21 W36 I37 G38F12-H23 HydrophobicContact CE2-CB 4.21Å; F12-H23 HydrophobicContact CZ-CB 4.19Å; T14-H23 VanDerWaalsContact CG2-ND1 3.33Å; T14-H23 WeakPolarHBondContact CG2-ND1 3.36Å; T14-H23 PolarHBondContact OG1-ND1 3.28Å; E21-H23 IonicContact OE1-CE1 2.7Å; E21-H23 PolarHBondContact OE1-CE1 3.3Å; E21-H23 IonicContact OE1-NE2 3.45Å; E21-H23 PolarHBondContact OE1-NE2 2.99Å; H23-W36 HydrophobicContact CB-CH2 3.64Å; H23-W36 HydrophobicContact CB-CZ3 3.44Å; H23-W36 VanDerWaalsContact CB-CZ3 3.44Å; H23-I37 WeakPolarHBondContact O-CA 3.28Å; H23-G38 PolarHBondContact CD2-O 3.44Å; H23-G38 PolarHBondContact N-O 3.17Å; H23-G38 PolarHBondContact O-N 3.22Å
24F97.4Very high94.8Very high1 Ų159.8 Ų59.80%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-130.9128.9-178.7-59.6-96.2000109F12 E13 C15 Y22 W36 I37 F103 I104 K107 V108 M111F12-F24 CarbonylContact C-O 3.55Å; F12-F24 VanDerWaalsContact CA-O 3.27Å; F12-F24 WeakPolarHBondContact CA-O 3.42Å; F12-F24 WeakPolarHBondContact CD2-O 3.44Å; E13-F24 PolarHBondContact N-O 3.42Å; E13-F24 PolarHBondContact O-N 3.32Å; C15-F24 WeakPolarHBondContact SG-CE2 3.48Å; Y22-F24 VanDerWaalsContact CB-CE2 3.48Å; F24-W36 WeakPolarHBondContact CA-O 3.48Å; F24-I37 HydrophobicContact CD1-CG1 4.08Å; F24-I37 HydrophobicContact CD1-CG2 4.15Å; F24-I37 HydrophobicContact CE1-CG1 4.32Å; F24-I37 HydrophobicContact CE1-CG2 3.84Å; F24-I37 HydrophobicContact CZ-CG2 4.44Å; F24-F103 HydrophobicContact CE2-CE1 4.43Å; F24-F103 HydrophobicContact CE2-CZ 4.47Å; F24-F103 HydrophobicContact CZ-CE1 4Å; F24-F103 HydrophobicContact CZ-CZ 4.35Å; F24-I104 HydrophobicContact CE1-CB 4.35Å; F24-I104 HydrophobicContact CE1-CG1 3.93Å; F24-I104 HydrophobicContact CE1-CG2 4.2Å; F24-I104 HydrophobicContact CZ-CG1 3.89Å; F24-K107 HydrophobicContact CD1-CG 4.13Å; F24-K107 HydrophobicContact CD2-CG 4.02Å; F24-K107 HydrophobicContact CE1-CB 4.06Å; F24-K107 HydrophobicContact CE1-CG 3.92Å; F24-K107 HydrophobicContact CE2-CG 3.83Å; F24-K107 HydrophobicContact CG-CG 4.17Å; F24-K107 HydrophobicContact CZ-CB 4.05Å; F24-K107 HydrophobicContact CZ-CG 3.78Å; F24-V108 HydrophobicContact CD1-CG2 4.01Å; F24-V108 HydrophobicContact CE1-CG2 4.26Å; F24-M111 HydrophobicContact CB-CE 3.54Å; F24-M111 HydrophobicContact CB-SD 3.48Å; F24-M111 WeakPolarHBondContact CB-SD 3.37Å; F24-M111 HydrophobicContact CD1-SD 4.39Å; F24-M111 HydrophobicContact CG-SD 3.98Å
25L97Very high94.8Very high36 Ų3657.1 Ų57.119%0.18828%0.28CS..EExtended strand (participates in β ladder)trans-122.1126.3168.5174.768.4000107.8T10 V11 F12 V35 W36T10-L25 HydrophobicContact CG2-CD1 3.53Å; V11-L25 WeakPolarHBondContact O-CA 3.43Å; F12-L25 HydrophobicContact CB-CD1 4.33Å; F12-L25 HydrophobicContact CD2-CB 4.22Å; F12-L25 HydrophobicContact CD2-CD1 4.42Å; L25-V35 CarbonylContact O-C 3.52Å; L25-V35 WeakPolarHBondContact O-CA 3.48Å; L25-W36 HydrophobicContact CB-CB 4.22Å; L25-W36 HydrophobicContact CB-CE3 3.83Å; L25-W36 PolarHBondContact N-O 3.18Å; L25-W36 PolarHBondContact O-N 3.33Å
26L96.8Very high94.9Very high1 Ų157 Ų571%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-125.3121.7175.5-171170.5000109T10 V11 C33 F34 V35 V108 M111 N112 L115T10-L26 WeakPolarHBondContact CA-O 3.44Å; V11-L26 HydrophobicContact CG1-CB 3.79Å; V11-L26 PolarHBondContact N-O 3.17Å; V11-L26 PolarHBondContact O-N 3.09Å; L26-C33 VanDerWaalsContact CD2-SG 3.55Å; L26-F34 CarbonylContact C-O 3.53Å; L26-F34 WeakPolarHBondContact CA-O 3.45Å; L26-V35 HydrophobicContact CG-CG2 4.28Å; L26-V108 HydrophobicContact CD1-CG1 4.32Å; L26-M111 HydrophobicContact CB-CE 4.19Å; L26-M111 HydrophobicContact CD1-CB 4.07Å; L26-N112 HydrophobicContact CD1-CB 3.96Å; L26-L115 HydrophobicContact CD2-CD1 3.4Å; L26-L115 VanDerWaalsContact CD2-CD1 3.4Å; L26-L115 HydrophobicContact CG-CD1 4.42Å
27N95.5Very high95Very high22 Ų2249.7 Ų49.712%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-107.6114.4170-56.1114000108.8R9 T10 Y29 C33 F34R9-N27 CarbonylContact O-C 3.58Å; R9-N27 WeakPolarHBondContact O-CA 3.41Å; T10-N27 VanDerWaalsContact CG2-ND2 3.31Å; T10-N27 WeakPolarHBondContact CG2-ND2 3.29Å; T10-N27 PolarHBondContact OG1-ND2 3.32Å; N27-Y29 HydrophobicContact CB-CE2 3.8Å; N27-C33 CarbonylContact O-C 3.48Å; N27-C33 WeakPolarHBondContact O-CA 3.4Å; N27-F34 HydrophobicContact CB-CB 4.24Å; N27-F34 PolarHBondContact N-O 2.77Å; N27-F34 PolarHBondContact O-N 2.98Å; N27-F34 WeakPolarHBondContact OD1-CD1 3.44Å
28S93.2Very high95Very high3 Ų346.7 Ų46.72%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-100.7122.1177.6-169.20000109.4R9 K85 E116R9-S28 PolarHBondContact N-O 3.21Å; R9-S28 PolarHBondContact O-N 3.11Å; S28-K85 PolarHBondContact OG-NZ 3.18Å; S28-E116 PolarHBondContact OG-OE1 3.03Å
29Y91.7Very high95.2Very high96 Ų9643.8 Ų43.838%0.37621%0.214SC..  trans-107.7175.3170.7-54.1-90.9000109.4C8 N27 S32 K85C8-Y29 HydrophobicContact CB-CD1 3.95Å; C8-Y29 HydrophobicContact CB-CE1 3.58Å; N27-Y29 HydrophobicContact CB-CE2 3.8Å; Y29-S32 CarbonylContact C-O 3.51Å; Y29-S32 WeakPolarHBondContact CA-O 3.37Å; Y29-S32 WeakPolarHBondContact CB-O 3.34Å; Y29-S32 WeakPolarHBondContact CD2-OG 3.24Å; Y29-S32 PolarHBondContact N-O 2.59Å; Y29-K85 PolarHBondContact O-NZ 3.03Å; Y29-K85 VanDerWaalsContact O-NZ 3.07Å
30S89.3Confident95.2Very high63 Ų6337 Ų3744%0.44119%0.188SC..SBendtrans-54.6-56.2176.545.30000112S5S5-S30 PolarHBondContact O-OG 3.16Å
31E90.3Very high95Very high146 Ų14641 Ų4168%0.68221%0.21SC*.SBendtrans-111.93.6-174-61.8-57.2138.100113.9Q86E31-Q86 PolarHBondContact O-N 2.7Å
32S93.9Very high94.8Very high24 Ų2439.7 Ų39.717%0.16821%0.209CC..EExtended strand (participates in β ladder)trans-146.8165.5-179.869.80000113.6Y29 Q86Y29-S32 CarbonylContact C-O 3.51Å; Y29-S32 WeakPolarHBondContact CA-O 3.37Å; Y29-S32 WeakPolarHBondContact CB-O 3.34Å; Y29-S32 WeakPolarHBondContact CD2-OG 3.24Å; Y29-S32 PolarHBondContact N-O 2.59Å; S32-Q86 CarbonylContact C-O 3.53Å; S32-Q86 WeakPolarHBondContact CA-O 3.21Å
33C94.9Very high94.7Very high0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-137.7135.8173.3-169.60000108.8L26 N27 M83 Q86 V87 F88L26-C33 VanDerWaalsContact CD2-SG 3.55Å; N27-C33 CarbonylContact O-C 3.48Å; N27-C33 WeakPolarHBondContact O-CA 3.4Å; C33-M83 HydrophobicContact CB-SD 4.17Å; C33-Q86 PolarHBondContact N-O 3.48Å; C33-V87 HydrophobicContact CB-CG1 4.41Å; C33-V87 HydrophobicContact CB-CG2 4.15Å; C33-V87 CarbonylContact O-C 3.6Å; C33-V87 WeakPolarHBondContact O-CA 3.49Å; C33-F88 PolarHBondContact O-N 3.25Å
34F97.1Very high94.6Very high39 Ų3944.6 Ų44.617%0.17123%0.23CC..EExtended strand (participates in β ladder)trans-107.7133.9164.2175-95.8000109.2L26 N27 W36 Y43 L46 F88L26-F34 CarbonylContact C-O 3.53Å; L26-F34 WeakPolarHBondContact CA-O 3.45Å; N27-F34 HydrophobicContact CB-CB 4.24Å; N27-F34 PolarHBondContact N-O 2.77Å; N27-F34 PolarHBondContact O-N 2.98Å; N27-F34 WeakPolarHBondContact OD1-CD1 3.44Å; F34-W36 HydrophobicContact CE1-CB 3.66Å; F34-W36 HydrophobicContact CZ-CB 3.89Å; F34-Y43 HydrophobicContact CZ-CE1 4.02Å; F34-L46 HydrophobicContact CE2-CD1 4Å; F34-F88 HydrophobicContact CB-CB 4.42Å; F34-F88 HydrophobicContact CD2-CB 3.66Å; F34-F88 HydrophobicContact CE2-CB 4.47Å
35V97.6Very high94.5Very high2 Ų244.8 Ų44.81%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-126.6123.4176.8-172.90000107.7L25 L26 I37 L79 V87 F88 V89 S90 V108L25-V35 CarbonylContact O-C 3.52Å; L25-V35 WeakPolarHBondContact O-CA 3.48Å; L26-V35 HydrophobicContact CG-CG2 4.28Å; V35-I37 HydrophobicContact CG1-CD1 4.11Å; V35-I37 HydrophobicContact CG1-CG1 3.91Å; V35-L79 HydrophobicContact CG2-CD1 4.16Å; V35-V87 HydrophobicContact CG2-CG1 4.27Å; V35-F88 PolarHBondContact N-O 3.31Å; V35-V89 HydrophobicContact CB-CG2 4.41Å; V35-V89 CarbonylContact O-C 3.56Å; V35-V89 VanDerWaalsContact O-CA 3.3Å; V35-V89 WeakPolarHBondContact O-CA 2.92Å; V35-S90 PolarHBondContact O-N 3.41Å; V35-V108 HydrophobicContact CG1-CG1 3.87Å; V35-V108 HydrophobicContact CG1-CG2 3.79Å; V35-V108 HydrophobicContact CG2-CG1 3.98Å
36W97.8Very high94.6Very high23 Ų2344.6 Ų44.69%0.08723%0.229CC..EExtended strand (participates in β ladder)trans-112.5134.6166.8168.788.2000109.7F12 H23 F24 L25 F34 S40 T42 Y43 S90F12-W36 HydrophobicContact CE2-CZ3 4.09Å; H23-W36 HydrophobicContact CB-CH2 3.64Å; H23-W36 HydrophobicContact CB-CZ3 3.44Å; H23-W36 VanDerWaalsContact CB-CZ3 3.44Å; F24-W36 WeakPolarHBondContact CA-O 3.48Å; L25-W36 HydrophobicContact CB-CB 4.22Å; L25-W36 HydrophobicContact CB-CE3 3.83Å; L25-W36 PolarHBondContact N-O 3.18Å; L25-W36 PolarHBondContact O-N 3.33Å; F34-W36 HydrophobicContact CE1-CB 3.66Å; F34-W36 HydrophobicContact CZ-CB 3.89Å; W36-S40 VanDerWaalsContact CZ2-O 3.29Å; W36-S40 WeakPolarHBondContact CZ2-O 3.46Å; W36-T42 PolarHBondContact NE1-O 2.83Å; W36-T42 VanDerWaalsContact NE1-O 3.15Å; W36-Y43 AromaticContact CD1-CD1 3.47Å; W36-Y43 VanDerWaalsContact CD1-CD1 3.47Å; W36-Y43 AromaticContact CD1-CE1 3.62Å; W36-Y43 HydrophobicContact CG-CD1 4.4Å; W36-Y43 HydrophobicContact CG-CE1 4.15Å; W36-Y43 AromaticContact NE1-CD1 3.88Å; W36-S90 CarbonylContact C-O 3.55Å; W36-S90 WeakPolarHBondContact CA-O 3.27Å
37I97.2Very high94.7Very high0 Ų044.5 Ų44.50%023%0.229CC..EExtended strand (participates in β ladder)trans-130.8127.5-178.8-52.8153.6000107H23 F24 V35 L75 V89 S90 C91 N92 V93 I104 V108H23-I37 WeakPolarHBondContact O-CA 3.28Å; F24-I37 HydrophobicContact CD1-CG1 4.08Å; F24-I37 HydrophobicContact CD1-CG2 4.15Å; F24-I37 HydrophobicContact CE1-CG1 4.32Å; F24-I37 HydrophobicContact CE1-CG2 3.84Å; F24-I37 HydrophobicContact CZ-CG2 4.44Å; V35-I37 HydrophobicContact CG1-CD1 4.11Å; V35-I37 HydrophobicContact CG1-CG1 3.91Å; I37-L75 HydrophobicContact CD1-CD1 4.05Å; I37-V89 HydrophobicContact CD1-CG1 4.22Å; I37-S90 PolarHBondContact N-O 2.82Å; I37-C91 WeakPolarHBondContact O-CA 3.34Å; I37-N92 PolarHBondContact O-N 3.42Å; I37-N92 VanDerWaalsContact O-N 3.11Å; I37-V93 HydrophobicContact CG2-CG2 3.77Å; I37-I104 HydrophobicContact CD1-CG2 3.63Å; I37-I104 HydrophobicContact CG1-CG2 4.36Å; I37-I104 HydrophobicContact CG2-CD1 4.05Å; I37-I104 HydrophobicContact CG2-CG1 4.27Å; I37-I104 HydrophobicContact CG2-CG2 4.2Å; I37-V108 HydrophobicContact CD1-CG2 4.26Å; I37-V108 HydrophobicContact CG1-CG2 4.39Å
38G96.6Very high94.8Very high0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-158.3159.3175.800000116.9H23 N92H23-G38 PolarHBondContact CD2-O 3.44Å; H23-G38 PolarHBondContact N-O 3.17Å; H23-G38 PolarHBondContact O-N 3.22Å; G38-N92 WeakPolarHBondContact CA-OD1 3.31Å
39T95.7Very high95Very high50 Ų5044.1 Ų44.131%0.30723%0.227SC..SBendtrans-100.4-6.616854.20000112Q20 Y22 N92 V93Q20-T39 HydrophobicContact CG-CG2 3.65Å; Y22-T39 HydrophobicContact CD1-CG2 3.79Å; Y22-T39 HydrophobicContact CE1-CG2 3.71Å; T39-N92 PolarHBondContact N-OD1 3.36Å; T39-V93 HydrophobicContact CG2-CG1 4.42Å; T39-V93 HydrophobicContact CG2-CG2 4.15Å
40S93.3Very high95.2Very high48 Ų4843.1 Ų43.134%0.33623%0.227SC..SBendtrans-136.2164.917475.20000110.6W36 T42 N92W36-S40 VanDerWaalsContact CZ2-O 3.29Å; W36-S40 WeakPolarHBondContact CZ2-O 3.46Å; S40-T42 PolarHBondContact O-N 2.88Å; S40-T42 PolarHBondContact OG-OG1 2.95Å; S40-N92 PolarHBondContact O-ND2 3.4Å; S40-N92 PolarHBondContact OG-ND2 3.06Å
41I89.5Confident95.4Very high162 Ų16242.9 Ų42.983%0.83122%0.218SC*.SBendtrans-72.314.1-179.562.8168.4000115
42T92.9Very high95.3Very high76 Ų7642.8 Ų42.847%0.46621%0.212SC..SBendtrans-103.3156.3-175.965.10000112.3W36 S40 N92W36-T42 PolarHBondContact NE1-O 2.83Å; W36-T42 VanDerWaalsContact NE1-O 3.15Å; S40-T42 PolarHBondContact O-N 2.88Å; S40-T42 PolarHBondContact OG-OG1 2.95Å; T42-N92 PolarHBondContact O-ND2 2.94Å; T42-N92 PolarHBondContact OG1-ND2 3.29Å
43Y93.4Very high95Very high139 Ų13946.7 Ų46.755%0.54524%0.237SC..  trans-79.5138.1166.1-70.9-76.7000110.1F34 W36 K66F34-Y43 HydrophobicContact CZ-CE1 4.02Å; W36-Y43 AromaticContact CD1-CD1 3.47Å; W36-Y43 VanDerWaalsContact CD1-CD1 3.47Å; W36-Y43 AromaticContact CD1-CE1 3.62Å; W36-Y43 HydrophobicContact CG-CD1 4.4Å; W36-Y43 HydrophobicContact CG-CE1 4.15Å; W36-Y43 AromaticContact NE1-CD1 3.88Å; Y43-K66 PolarHBondContact O-NZ 3.46Å
44G95Very high94.5Very high6 Ų655.2 Ų55.26%0.06228%0.282CS..  trans-98.8-139.517500000111.9C91G44-C91 WeakPolarHBondContact CA-O 3.48Å
45D96.8Very high93.8Very high5 Ų555.7 Ų55.73%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-59.5154.8167.7-66.6-21.7000109.7I64 K66 T67 A72 S90 C91D45-I64 WeakPolarHBondContact CA-O 3.29Å; D45-K66 WeakPolarHBondContact OD1-CA 3.39Å; D45-K66 WeakPolarHBondContact OD1-CB 3.43Å; D45-K66 PolarHBondContact OD1-N 3.24Å; D45-T67 PolarHBondContact OD1-N 3.49Å; D45-T67 PolarHBondContact OD2-OG1 2.94Å; D45-A72 HydrophobicContact CB-CB 3.94Å; D45-S90 CarbonylContact O-C 3.53Å; D45-S90 WeakPolarHBondContact O-CA 3.5Å; D45-S90 PolarHBondContact O-OG 3.19Å; D45-C91 PolarHBondContact N-O 2.88Å; D45-C91 PolarHBondContact O-N 3.25Å
46L98.2Very high93.2Very high31 Ų3162.3 Ų62.316%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-133.1123.8173.317865.6000108.9F34 L63 I64 F88 V89F34-L46 HydrophobicContact CE2-CD1 4Å; L46-L63 HydrophobicContact CD2-CB 4.17Å; L46-L63 HydrophobicContact CD2-CD1 4.14Å; L46-L63 HydrophobicContact CG-CB 4.22Å; L46-L63 HydrophobicContact CG-CD1 4.3Å; L46-L63 PolarHBondContact O-N 2.93Å; L46-I64 HydrophobicContact CB-CB 3.84Å; L46-I64 HydrophobicContact CB-CD1 4.06Å; L46-I64 HydrophobicContact CB-CG1 3.99Å; L46-I64 HydrophobicContact CD2-CD1 3.97Å; L46-I64 HydrophobicContact CD2-CG1 4.24Å; L46-I64 PolarHBondContact N-O 3.03Å; L46-I64 PolarHBondContact O-N 3.22Å; L46-I64 VanDerWaalsContact O-N 3.08Å; L46-F88 HydrophobicContact CD1-CB 4.48Å; L46-V89 CarbonylContact C-O 3.58Å; L46-V89 WeakPolarHBondContact CA-O 3.49Å
47A98.2Very high92.9Very high0 Ų064.1 Ų64.10%033%0.331CS..EExtended strand (participates in β ladder)trans-125.2156.9174.100000111.2T61 K62 A72 E73 A76 F88 V89A47-T61 WeakPolarHBondContact CA-O 3.33Å; A47-K62 HydrophobicContact CB-CG 4.36Å; A47-A72 HydrophobicContact CB-CB 4.02Å; A47-E73 HydrophobicContact CB-CB 4.12Å; A47-A76 HydrophobicContact CB-CB 4.3Å; A47-F88 CarbonylContact O-C 3.59Å; A47-F88 VanDerWaalsContact O-CA 3.3Å; A47-F88 WeakPolarHBondContact O-CA 3.39Å; A47-V89 PolarHBondContact N-O 2.93Å; A47-V89 PolarHBondContact O-N 2.87Å
48I98.5Very high92.8Very high17 Ų1765 Ų659%0.08734%0.336CS..EExtended strand (participates in β ladder)trans-122.9145172-169.6178.9000109L50 S60 T61 L63 Q86 V87 F88I48-L50 HydrophobicContact CD1-CD1 4.31Å; I48-L50 HydrophobicContact CG1-CD1 4.35Å; I48-S60 WeakPolarHBondContact O-CA 3.37Å; I48-S60 WeakPolarHBondContact O-CB 3.36Å; I48-T61 HydrophobicContact CG2-CG2 3.55Å; I48-T61 PolarHBondContact N-O 3.44Å; I48-T61 PolarHBondContact O-N 3.18Å; I48-L63 HydrophobicContact CB-CD1 4.15Å; I48-L63 HydrophobicContact CB-CG 4.48Å; I48-L63 HydrophobicContact CG2-CD1 4.18Å; I48-L63 HydrophobicContact CG2-CD2 4.07Å; I48-L63 HydrophobicContact CG2-CG 4.09Å; I48-Q86 HydrophobicContact CD1-CG 3.87Å; I48-Q86 HydrophobicContact CG1-CG 3.95Å; I48-V87 CarbonylContact C-O 3.41Å; I48-V87 WeakPolarHBondContact CA-O 3.37Å; I48-F88 HydrophobicContact CB-CD1 4.01Å; I48-F88 HydrophobicContact CB-CE1 4.17Å; I48-F88 HydrophobicContact CD1-CD1 3.91Å; I48-F88 HydrophobicContact CD1-CE1 3.26Å; I48-F88 HydrophobicContact CD1-CE2 4.18Å; I48-F88 HydrophobicContact CD1-CZ 3.41Å; I48-F88 VanDerWaalsContact CD1-CZ 3.41Å; I48-F88 HydrophobicContact CG1-CD1 3.84Å; I48-F88 HydrophobicContact CG1-CE1 3.74Å; I48-F88 HydrophobicContact CG1-CE2 4.49Å; I48-F88 HydrophobicContact CG1-CG 4.28Å; I48-F88 HydrophobicContact CG1-CZ 4.07Å
49A98Very high92.8Very high0 Ų071.1 Ų71.10%036%0.364CS..EExtended strand (participates in β ladder)trans-131.9140.4166.900000111.7F59 A76 M77 A80 Q86 V87A49-F59 CarbonylContact C-O 3.58Å; A49-F59 WeakPolarHBondContact CA-O 3.44Å; A49-A76 HydrophobicContact CB-CB 3.69Å; A49-A76 WeakPolarHBondContact CB-O 3.48Å; A49-M77 HydrophobicContact CB-CB 4.47Å; A49-M77 HydrophobicContact CB-CG 4.14Å; A49-A80 HydrophobicContact CB-CB 3.79Å; A49-Q86 WeakPolarHBondContact O-CA 3.3Å; A49-V87 PolarHBondContact N-O 3.33Å; A49-V87 PolarHBondContact O-N 2.6Å
50L96.2Very high92.8Very high74 Ų7470.3 Ų70.339%0.38736%0.36SS..EExtended strand (participates in β ladder)trans-121.3117.9179-55.397.6000108.6I48 C58 F59 Q86I48-L50 HydrophobicContact CD1-CD1 4.31Å; I48-L50 HydrophobicContact CG1-CD1 4.35Å; L50-C58 CarbonylContact O-C 3.58Å; L50-C58 WeakPolarHBondContact O-CA 3.42Å; L50-C58 PolarHBondContact O-SG 3.45Å; L50-F59 PolarHBondContact N-O 3.44Å; L50-F59 PolarHBondContact O-N 2.88Å; L50-Q86 HydrophobicContact CG-CG 4.39Å
51K92.6Very high93Very high59 Ų5971.4 Ų71.426%0.25737%0.365SS..EExtended strand (participates in β ladder)trans-80.9129.5169.4-169.1-171.4-175.4173.40108.8D55 K81K51-D55 VanDerWaalsContact CE-O 3.29Å; K51-D55 WeakPolarHBondContact CE-O 3.42Å; K51-K81 PolarHBondContact NZ-O 2.93Å; K51-K81 VanDerWaalsContact NZ-O 3.08Å
52R89.2Confident93.4Very high143 Ų14365.5 Ų65.554%0.5433%0.333SS..PPolyproline II helixtrans-68.2133.9173.1-179.1178.7-176.8-159.310.2109.5N54 D55 V57R52-N54 PolarHBondContact O-N 2.81Å; R52-D55 HydrophobicContact CB-CB 4.02Å; R52-D55 WeakPolarHBondContact CD-OD2 3.27Å; R52-D55 HydrophobicContact CG-CB 3.97Å; R52-D55 IonicContact CZ-OD2 3.48Å; R52-D55 IonicContact NE-OD2 3.21Å; R52-D55 IonicContact NH1-OD2 2.6Å; R52-D55 PolarHBondContact NH1-OD2 3.46Å; R52-D55 PolarHBondContact O-N 3.32Å; R52-V57 PolarHBondContact N-O 3.42Å
53P86.6Confident93.6Very high107 Ų10766.5 Ų66.570%0.69534%0.335SS*.THydrogen-bonded Turntrans-56.7136.6177.2-25.534.3000111.6D55P53-D55 PolarHBondContact O-N 2.99Å; P53-D55 VanDerWaalsContact O-N 3.12Å
54N83.8Confident93.8Very high179 Ų17963.5 Ų63.596%0.95733%0.328SS*.THydrogen-bonded Turntrans57.720.6178.5-56-31.7000115.4R52R52-N54 PolarHBondContact O-N 2.81Å
55D84Confident93.8Very high48 Ų4867.7 Ų67.726%0.25735%0.348SS..SBendtrans-134.2159.6179-163.6-14.9000109.8K51 R52 P53 V57K51-D55 VanDerWaalsContact CE-O 3.29Å; K51-D55 WeakPolarHBondContact CE-O 3.42Å; R52-D55 HydrophobicContact CB-CB 4.02Å; R52-D55 WeakPolarHBondContact CD-OD2 3.27Å; R52-D55 HydrophobicContact CG-CB 3.97Å; R52-D55 IonicContact CZ-OD2 3.48Å; R52-D55 IonicContact NE-OD2 3.21Å; R52-D55 IonicContact NH1-OD2 2.6Å; R52-D55 PolarHBondContact NH1-OD2 3.46Å; R52-D55 PolarHBondContact O-N 3.32Å; P53-D55 PolarHBondContact O-N 2.99Å; P53-D55 VanDerWaalsContact O-N 3.12Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 WeakPolarHBondContact OD1-CG2 3.25Å; D55-V57 PolarHBondContact OD1-N 3.21Å
56Q84.5Confident93.7Very high142 Ų14273.7 Ų73.766%0.66437%0.374SS*.SBendtrans-89.4-5.7173.4-60.9-59.4-29.300112.4C58Q56-C58 PolarHBondContact O-N 3.48Å
57V92Very high93.4Very high60 Ų6076.6 Ų76.636%0.36439%0.393SS..  trans-67.3129.2174.6178.80000110.4R52 D55 F59R52-V57 PolarHBondContact N-O 3.42Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 WeakPolarHBondContact OD1-CG2 3.25Å; D55-V57 PolarHBondContact OD1-N 3.21Å; V57-F59 HydrophobicContact CG1-CD2 4.38Å; V57-F59 HydrophobicContact CG1-CE1 4.08Å; V57-F59 HydrophobicContact CG1-CE2 3.82Å; V57-F59 HydrophobicContact CG1-CZ 3.65Å
58C94.6Very high93Very high18 Ų1879 Ų7912%0.12242%0.418CS..EExtended strand (participates in β ladder)trans-126.4126.1172.5-164.20000108.1L50 Q56 K81L50-C58 CarbonylContact O-C 3.58Å; L50-C58 WeakPolarHBondContact O-CA 3.42Å; L50-C58 PolarHBondContact O-SG 3.45Å; Q56-C58 PolarHBondContact O-N 3.48Å; C58-K81 HydrophobicContact CB-CD 4.23Å; C58-K81 VanDerWaalsContact CB-CE 3.41Å; C58-K81 HydrophobicContact CB-CG 3.8Å
59F95.7Very high92.6Very high130 Ų13080 Ų8057%0.5743%0.427SS*.EExtended strand (participates in β ladder)trans-92.6146.8170.9-59.6-75.4000108.8A49 L50 V57A49-F59 CarbonylContact C-O 3.58Å; A49-F59 WeakPolarHBondContact CA-O 3.44Å; L50-F59 PolarHBondContact N-O 3.44Å; L50-F59 PolarHBondContact O-N 2.88Å; V57-F59 HydrophobicContact CG1-CD2 4.38Å; V57-F59 HydrophobicContact CG1-CE1 4.08Å; V57-F59 HydrophobicContact CG1-CE2 3.82Å; V57-F59 HydrophobicContact CG1-CZ 3.65Å
60S96.8Very high92.3Very high32 Ų3284.3 Ų84.322%0.22446%0.455CS..EExtended strand (participates in β ladder)trans-141.5156.3173.456.80000111.2I48 E73 M77I48-S60 WeakPolarHBondContact O-CA 3.37Å; I48-S60 WeakPolarHBondContact O-CB 3.36Å; S60-E73 VanDerWaalsContact CB-CG 3.46Å; S60-E73 WeakPolarHBondContact CB-OE1 3.2Å; S60-E73 VanDerWaalsContact OG-CD 3.29Å; S60-E73 WeakPolarHBondContact OG-CG 3.37Å; S60-E73 PolarHBondContact OG-OE1 3.09Å; S60-M77 VanDerWaalsContact CB-CG 3.43Å; S60-M77 WeakPolarHBondContact OG-CG 3.35Å; S60-M77 PolarHBondContact OG-SD 3.35Å
61T97.3Very high92.1Very high72 Ų7282.1 Ų82.144%0.44244%0.444SS..EExtended strand (participates in β ladder)trans-153.6149.8169.6-174.50000109A47 I48 L63A47-T61 WeakPolarHBondContact CA-O 3.33Å; I48-T61 HydrophobicContact CG2-CG2 3.55Å; I48-T61 PolarHBondContact N-O 3.44Å; I48-T61 PolarHBondContact O-N 3.18Å; T61-L63 HydrophobicContact CG2-CD2 4.18Å
62K96.9Very high92.2Very high38 Ų3879.3 Ų79.317%0.16543%0.432CS..EExtended strand (participates in β ladder)trans-76.3139.2163.3-70.8-174.6178.6179.80110.1A47 D65 G68 S69 E73A47-K62 HydrophobicContact CB-CG 4.36Å; K62-D65 HydrophobicContact CB-CB 4.48Å; K62-D65 HydrophobicContact CD-CB 3.83Å; K62-D65 VanDerWaalsContact CD-CG 3.45Å; K62-D65 WeakPolarHBondContact CD-OD2 3.18Å; K62-D65 IonicContact NZ-OD1 2.77Å; K62-D65 PolarHBondContact NZ-OD1 3Å; K62-D65 IonicContact NZ-OD2 3.79Å; K62-D65 PolarHBondContact NZ-OD2 3.24Å; K62-G68 PolarHBondContact NZ-O 3.13Å; K62-S69 WeakPolarHBondContact CE-O 3.44Å; K62-S69 VanDerWaalsContact NZ-C 3.34Å; K62-S69 PolarHBondContact NZ-O 3.48Å; K62-E73 HydrophobicContact CG-CB 4.49Å
63L97.8Very high92.5Very high96 Ų9675 Ų7550%0.50342%0.418SS..EExtended strand (participates in β ladder)trans-102.2-36.3172.5-58.6179.1000110.7L46 I48 T61 F88L46-L63 HydrophobicContact CD2-CB 4.17Å; L46-L63 HydrophobicContact CD2-CD1 4.14Å; L46-L63 HydrophobicContact CG-CB 4.22Å; L46-L63 HydrophobicContact CG-CD1 4.3Å; L46-L63 PolarHBondContact O-N 2.93Å; I48-L63 HydrophobicContact CB-CD1 4.15Å; I48-L63 HydrophobicContact CB-CG 4.48Å; I48-L63 HydrophobicContact CG2-CD1 4.18Å; I48-L63 HydrophobicContact CG2-CD2 4.07Å; I48-L63 HydrophobicContact CG2-CG 4.09Å; T61-L63 HydrophobicContact CG2-CD2 4.18Å; L63-F88 HydrophobicContact CD1-CD1 4.21Å; L63-F88 HydrophobicContact CD1-CE1 4.24Å
64I97.3Very high92.8Very high77 Ų7772.5 Ų72.540%0.39541%0.406SS..EExtended strand (participates in β ladder)trans-130.1120.8173.2-55.2175.2000106.8D45 L46 K66D45-I64 WeakPolarHBondContact CA-O 3.29Å; L46-I64 HydrophobicContact CB-CB 3.84Å; L46-I64 HydrophobicContact CB-CD1 4.06Å; L46-I64 HydrophobicContact CB-CG1 3.99Å; L46-I64 HydrophobicContact CD2-CD1 3.97Å; L46-I64 HydrophobicContact CD2-CG1 4.24Å; L46-I64 PolarHBondContact N-O 3.03Å; L46-I64 PolarHBondContact O-N 3.22Å; L46-I64 VanDerWaalsContact O-N 3.08Å; I64-K66 HydrophobicContact CG2-CG 3.99Å
65D95.4Very high93.3Very high93 Ų9364.1 Ų64.150%0.49736%0.362SS..  trans-117.996.8177.5-163.85.3000109.8K62 G68K62-D65 HydrophobicContact CB-CB 4.48Å; K62-D65 HydrophobicContact CD-CB 3.83Å; K62-D65 VanDerWaalsContact CD-CG 3.45Å; K62-D65 WeakPolarHBondContact CD-OD2 3.18Å; K62-D65 IonicContact NZ-OD1 2.77Å; K62-D65 PolarHBondContact NZ-OD1 3Å; K62-D65 IonicContact NZ-OD2 3.79Å; K62-D65 PolarHBondContact NZ-OD2 3.24Å; D65-G68 WeakPolarHBondContact OD1-CA 3.35Å; D65-G68 PolarHBondContact OD1-N 3.37Å
66K93.7Very high93.9Very high132 Ų13261.9 Ų61.957%0.57435%0.349SS*.SBendtrans-90.9-35.5176.8-64.7-170.1177.4-175.10111.8Y43 D45 I64Y43-K66 PolarHBondContact O-NZ 3.46Å; D45-K66 WeakPolarHBondContact OD1-CA 3.39Å; D45-K66 WeakPolarHBondContact OD1-CB 3.43Å; D45-K66 PolarHBondContact OD1-N 3.24Å; I64-K66 HydrophobicContact CG2-CG 3.99Å
67T91.7Very high94.5Very high91 Ų9157.8 Ų57.856%0.55833%0.331SS*.SBendtrans-110.1-15.7-169.677.50000114.5D45 S69D45-T67 PolarHBondContact OD1-N 3.49Å; D45-T67 PolarHBondContact OD2-OG1 2.94Å; T67-S69 PolarHBondContact O-N 3.27Å; T67-S69 WeakPolarHBondContact OG1-CB 3.36Å; T67-S69 PolarHBondContact OG1-N 2.99Å
68G90.6Very high94.5Very high51 Ų5160.3 Ų60.353%0.52634%0.337SS..  trans75.9-6-168.700000113.8K62 D65K62-G68 PolarHBondContact NZ-O 3.13Å; D65-G68 WeakPolarHBondContact OD1-CA 3.35Å; D65-G68 PolarHBondContact OD1-N 3.37Å
69S90Very high94.5Very high38 Ų3859.7 Ų59.727%0.26633%0.333SS..  trans-70131.6-175179.60000113.5K62 T67 V71K62-S69 WeakPolarHBondContact CE-O 3.44Å; K62-S69 VanDerWaalsContact NZ-C 3.34Å; K62-S69 PolarHBondContact NZ-O 3.48Å; T67-S69 PolarHBondContact O-N 3.27Å; T67-S69 WeakPolarHBondContact OG1-CB 3.36Å; T67-S69 PolarHBondContact OG1-N 2.99Å; S69-V71 PolarHBondContact O-N 2.95Å; S69-V71 VanDerWaalsContact O-N 3.15Å; S69-V71 WeakPolarHBondContact OG-CB 3.35Å; S69-V71 WeakPolarHBondContact OG-CG2 3.17Å; S69-V71 PolarHBondContact OG-N 2.8Å
70P91.8Very high94.5Very high90 Ų9053.5 Ų53.558%0.58431%0.306SS*.THydrogen-bonded Turntrans-73.8-1.3178.932.1-36.5000113.6E73 A74P70-E73 PolarHBondContact O-N 2.98Å; P70-A74 WeakPolarHBondContact O-CB 3.45Å; P70-A74 PolarHBondContact O-N 2.99Å
71V91.6Very high94.3Very high28 Ų2856.5 Ų56.517%0.1731%0.314CS..Hα-helixtrans-61.6-49.5-170.1168.40000112.9S69 E73 A74 L75 M95S69-V71 PolarHBondContact O-N 2.95Å; S69-V71 VanDerWaalsContact O-N 3.15Å; S69-V71 WeakPolarHBondContact OG-CB 3.35Å; S69-V71 WeakPolarHBondContact OG-CG2 3.17Å; S69-V71 PolarHBondContact OG-N 2.8Å; V71-E73 PolarHBondContact O-N 3.02Å; V71-A74 PolarHBondContact O-N 3.15Å; V71-L75 HydrophobicContact CG1-CD1 3.84Å; V71-L75 HydrophobicContact CG1-CG 4.37Å; V71-L75 WeakPolarHBondContact O-CB 3.19Å; V71-L75 WeakPolarHBondContact O-CG 3.31Å; V71-L75 PolarHBondContact O-N 3.39Å; V71-M95 HydrophobicContact CG1-CB 4.31Å; V71-M95 HydrophobicContact CG1-CE 4.1Å; V71-M95 HydrophobicContact CG1-CG 3.71Å; V71-M95 HydrophobicContact CG1-SD 3.48Å; V71-M95 WeakPolarHBondContact CG1-SD 3.42Å; V71-M95 HydrophobicContact CG2-CB 4Å; V71-M95 HydrophobicContact CG2-CG 4.32Å
72A94.8Very high94Very high1 Ų158.9 Ų58.91%0.00832%0.319CS..Hα-helixtrans-59.8-39.6-17900000111.2D45 A47 A76 C91D45-A72 HydrophobicContact CB-CB 3.94Å; A47-A72 HydrophobicContact CB-CB 4.02Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 2.77Å; A72-C91 HydrophobicContact CB-CB 4.37Å
73E95.4Very high93.7Very high53 Ų5358.6 Ų58.625%0.24832%0.318CS..Hα-helixtrans-68.4-45.7178.4-164.7-177-172.600112.2A47 S60 K62 P70 V71 L75 A76 M77A47-E73 HydrophobicContact CB-CB 4.12Å; S60-E73 VanDerWaalsContact CB-CG 3.46Å; S60-E73 WeakPolarHBondContact CB-OE1 3.2Å; S60-E73 VanDerWaalsContact OG-CD 3.29Å; S60-E73 WeakPolarHBondContact OG-CG 3.37Å; S60-E73 PolarHBondContact OG-OE1 3.09Å; K62-E73 HydrophobicContact CG-CB 4.49Å; P70-E73 PolarHBondContact O-N 2.98Å; V71-E73 PolarHBondContact O-N 3.02Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.38Å; E73-A76 PolarHBondContact O-N 3.35Å; E73-M77 HydrophobicContact CG-CE 4.34Å; E73-M77 PolarHBondContact O-N 2.78Å
74A93.7Very high93.3Very high53 Ų5356.4 Ų56.444%0.43832%0.319SS..Hα-helixtrans-61.7-41.5176.400000112.2P70 V71 K78P70-A74 WeakPolarHBondContact O-CB 3.45Å; P70-A74 PolarHBondContact O-N 2.99Å; V71-A74 PolarHBondContact O-N 3.15Å; A74-K78 WeakPolarHBondContact O-CB 3.38Å; A74-K78 PolarHBondContact O-N 3.25Å
75L94.4Very high93Very high4 Ų453.8 Ų53.82%0.02131%0.305CS..Hα-helixtrans-63.5-47.2174.3-76173000111.2I37 V71 E73 M77 K78 L79 V89 M95 L101 I104I37-L75 HydrophobicContact CD1-CD1 4.05Å; V71-L75 HydrophobicContact CG1-CD1 3.84Å; V71-L75 HydrophobicContact CG1-CG 4.37Å; V71-L75 WeakPolarHBondContact O-CB 3.19Å; V71-L75 WeakPolarHBondContact O-CG 3.31Å; V71-L75 PolarHBondContact O-N 3.39Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.38Å; L75-M77 PolarHBondContact O-N 3.26Å; L75-K78 PolarHBondContact O-N 3.07Å; L75-L79 WeakPolarHBondContact O-CB 3.19Å; L75-L79 VanDerWaalsContact O-CG 3.25Å; L75-L79 WeakPolarHBondContact O-CG 3.04Å; L75-L79 PolarHBondContact O-N 2.87Å; L75-V89 HydrophobicContact CB-CG1 4.06Å; L75-V89 HydrophobicContact CB-CG2 4.33Å; L75-V89 HydrophobicContact CD1-CG1 4.32Å; L75-M95 HydrophobicContact CD1-CE 3.99Å; L75-L101 HydrophobicContact CD2-CD1 3.84Å; L75-L101 HydrophobicContact CG-CD1 4.33Å; L75-I104 HydrophobicContact CD1-CG2 4.46Å
76A96.6Very high93Very high0 Ų052.3 Ų52.30%029%0.294CS..Hα-helixtrans-57.2-48.4177.900000111.1A47 A49 A72 E73 K78 L79 A80 V89A47-A76 HydrophobicContact CB-CB 4.3Å; A49-A76 HydrophobicContact CB-CB 3.69Å; A49-A76 WeakPolarHBondContact CB-O 3.48Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 2.77Å; E73-A76 PolarHBondContact O-N 3.35Å; A76-K78 PolarHBondContact O-N 3.42Å; A76-L79 PolarHBondContact O-N 2.98Å; A76-A80 VanDerWaalsContact O-CB 3.24Å; A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 2.83Å; A76-V89 HydrophobicContact CB-CB 4.17Å; A76-V89 HydrophobicContact CB-CG2 3.78Å
77M95.6Very high93.2Very high57 Ų5746 Ų4628%0.28127%0.267SS..Hα-helixtrans-59.3-46.4177.3-77.7-168.1-8300112.7A49 S60 E73 L75 A80 K81A49-M77 HydrophobicContact CB-CB 4.47Å; A49-M77 HydrophobicContact CB-CG 4.14Å; S60-M77 VanDerWaalsContact CB-CG 3.43Å; S60-M77 WeakPolarHBondContact OG-CG 3.35Å; S60-M77 PolarHBondContact OG-SD 3.35Å; E73-M77 HydrophobicContact CG-CE 4.34Å; E73-M77 PolarHBondContact O-N 2.78Å; L75-M77 PolarHBondContact O-N 3.26Å; M77-A80 PolarHBondContact O-N 2.82Å; M77-K81 WeakPolarHBondContact O-CB 3.35Å; M77-K81 WeakPolarHBondContact O-CG 3.43Å; M77-K81 PolarHBondContact O-N 3.46Å
78K93.4Very high93.5Very high113 Ų11344.1 Ų44.149%0.49125%0.251SS..Hα-helixtrans-64.7-43.2-177.9-176.5167.8170.2-173.70111.3A74 L75 A76 K82 N105A74-K78 WeakPolarHBondContact O-CB 3.38Å; A74-K78 PolarHBondContact O-N 3.25Å; L75-K78 PolarHBondContact O-N 3.07Å; A76-K78 PolarHBondContact O-N 3.42Å; K78-K82 WeakPolarHBondContact O-CB 3.43Å; K78-K82 PolarHBondContact O-N 2.9Å; K78-N105 VanDerWaalsContact CD-OD1 3.27Å; K78-N105 WeakPolarHBondContact CD-OD1 3.36Å; K78-N105 VanDerWaalsContact CE-OD1 3.28Å; K78-N105 WeakPolarHBondContact CE-OD1 3.39Å; K78-N105 VanDerWaalsContact NZ-CG 3.33Å; K78-N105 PolarHBondContact NZ-ND2 2.77Å; K78-N105 PolarHBondContact NZ-OD1 3.4Å
79L94.2Very high93.8Very high5 Ų541.7 Ų41.73%0.02623%0.226CC..Hα-helixtrans-67.7-45176.9-67172000111.3V35 L75 A76 K81 K82 M83 V87 V89 V108V35-L79 HydrophobicContact CG2-CD1 4.16Å; L75-L79 WeakPolarHBondContact O-CB 3.19Å; L75-L79 VanDerWaalsContact O-CG 3.25Å; L75-L79 WeakPolarHBondContact O-CG 3.04Å; L75-L79 PolarHBondContact O-N 2.87Å; A76-L79 PolarHBondContact O-N 2.98Å; L79-K81 PolarHBondContact O-N 3.28Å; L79-K82 PolarHBondContact O-N 2.96Å; L79-K82 VanDerWaalsContact O-N 3.17Å; L79-M83 HydrophobicContact CB-CE 4.35Å; L79-M83 HydrophobicContact CB-SD 4.22Å; L79-M83 HydrophobicContact CD2-CE 3.91Å; L79-M83 VanDerWaalsContact O-CB 3.29Å; L79-M83 WeakPolarHBondContact O-CB 3.48Å; L79-M83 VanDerWaalsContact O-CG 3.29Å; L79-M83 WeakPolarHBondContact O-CG 3.38Å; L79-M83 PolarHBondContact O-N 2.94Å; L79-V87 HydrophobicContact CB-CB 4.3Å; L79-V87 HydrophobicContact CB-CG1 3.85Å; L79-V87 HydrophobicContact CB-CG2 4.13Å; L79-V87 HydrophobicContact CD1-CG1 4.16Å; L79-V89 HydrophobicContact CD1-CG2 3.81Å; L79-V108 HydrophobicContact CD1-CG1 3.85Å; L79-V108 HydrophobicContact CD2-CB 4.3Å; L79-V108 HydrophobicContact CD2-CG1 3.67Å; L79-V108 HydrophobicContact CG-CG1 4.43Å
80A94.8Very high94.2Very high0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-61.3-42.8177.900000112.5A49 A76 M77 K82 G84 K85 V87A49-A80 HydrophobicContact CB-CB 3.79Å; A76-A80 VanDerWaalsContact O-CB 3.24Å; A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 2.83Å; M77-A80 PolarHBondContact O-N 2.82Å; A80-K82 VanDerWaalsContact C-N 3.32Å; A80-K82 PolarHBondContact O-N 3.28Å; A80-G84 WeakPolarHBondContact O-CA 3.41Å; A80-G84 PolarHBondContact O-N 2.89Å; A80-K85 WeakPolarHBondContact CA-O 3.37Å; A80-K85 WeakPolarHBondContact CB-O 3.3Å; A80-V87 HydrophobicContact CB-CB 4.16Å; A80-V87 HydrophobicContact CB-CG2 3.94Å
81K93.2Very high94.4Very high94 Ų9436 Ų3641%0.40919%0.188SC..Hα-helixtrans-59.1-43.7174.3-76.5179.1-179.2-179.80112.1K51 C58 M77 L79K51-K81 PolarHBondContact NZ-O 2.93Å; K51-K81 VanDerWaalsContact NZ-O 3.08Å; C58-K81 HydrophobicContact CB-CD 4.23Å; C58-K81 VanDerWaalsContact CB-CE 3.41Å; C58-K81 HydrophobicContact CB-CG 3.8Å; M77-K81 WeakPolarHBondContact O-CB 3.35Å; M77-K81 WeakPolarHBondContact O-CG 3.43Å; M77-K81 PolarHBondContact O-N 3.46Å; L79-K81 PolarHBondContact O-N 3.28Å
82K90.6Very high94.5Very high122 Ų12236 Ų3653%0.5319%0.188SC..Hα-helixtrans-76-40.4-175.9-165.5174.5-165.6-167.80113.2K78 L79 A80 F109K78-K82 WeakPolarHBondContact O-CB 3.43Å; K78-K82 PolarHBondContact O-N 2.9Å; L79-K82 PolarHBondContact O-N 2.96Å; L79-K82 VanDerWaalsContact O-N 3.17Å; A80-K82 VanDerWaalsContact C-N 3.32Å; A80-K82 PolarHBondContact O-N 3.28Å; K82-F109 HydrophobicContact CD-CD2 3.48Å; K82-F109 VanDerWaalsContact CD-CD2 3.48Å; K82-F109 HydrophobicContact CD-CE2 3.6Å; K82-F109 HydrophobicContact CD-CG 4.2Å; K82-F109 HydrophobicContact CD-CZ 4.4Å; K82-F109 VanDerWaalsContact CE-CZ 3.45Å; K82-F109 HydrophobicContact CG-CD2 4.22Å; K82-F109 HydrophobicContact CG-CE2 3.99Å; K82-F109 VanDerWaalsContact NZ-CE1 3.3Å; K82-F109 VanDerWaalsContact NZ-CE2 3.31Å
83M90.1Very high94.4Very high33 Ų3336.7 Ų36.716%0.16319%0.191CC..Hα-helixtrans-84.5-20.5-179-64.3170.2173.500112.6C33 L79 K85 V87 V108 N112C33-M83 HydrophobicContact CB-SD 4.17Å; L79-M83 HydrophobicContact CB-CE 4.35Å; L79-M83 HydrophobicContact CB-SD 4.22Å; L79-M83 HydrophobicContact CD2-CE 3.91Å; L79-M83 VanDerWaalsContact O-CB 3.29Å; L79-M83 WeakPolarHBondContact O-CB 3.48Å; L79-M83 VanDerWaalsContact O-CG 3.29Å; L79-M83 WeakPolarHBondContact O-CG 3.38Å; L79-M83 PolarHBondContact O-N 2.94Å; M83-K85 VanDerWaalsContact C-N 3.27Å; M83-K85 HydrophobicContact CB-CG 3.99Å; M83-K85 PolarHBondContact O-N 2.84Å; M83-V87 HydrophobicContact SD-CG2 3.73Å; M83-V108 HydrophobicContact CE-CG1 4.22Å; M83-N112 HydrophobicContact CE-CB 3.73Å
84G90.1Very high94Very high49 Ų4941.3 Ų41.351%0.50521%0.213SC..SBendtrans7414.7-18000000114.7A80A80-G84 WeakPolarHBondContact O-CA 3.41Å; A80-G84 PolarHBondContact O-N 2.89Å
85K91.1Very high93.5Very high23 Ų2340.6 Ų40.610%0.120%0.201CC..SBendtrans-136.6171.7-177.962.3-177.7176.2177.40111.9S28 Y29 A80 M83 V87 E116S28-K85 PolarHBondContact OG-NZ 3.18Å; Y29-K85 PolarHBondContact O-NZ 3.03Å; Y29-K85 VanDerWaalsContact O-NZ 3.07Å; A80-K85 WeakPolarHBondContact CA-O 3.37Å; A80-K85 WeakPolarHBondContact CB-O 3.3Å; M83-K85 VanDerWaalsContact C-N 3.27Å; M83-K85 HydrophobicContact CB-CG 3.99Å; M83-K85 PolarHBondContact O-N 2.84Å; K85-V87 PolarHBondContact O-N 2.63Å; K85-E116 IonicContact NZ-OE1 3.1Å
86Q95.6Very high92.7Very high61 Ų6148.5 Ų48.529%0.28524%0.238SC..EExtended strand (participates in β ladder)trans-63.9132.9176178.4178.872.800110E31 S32 C33 I48 A49 L50 F88E31-Q86 PolarHBondContact O-N 2.7Å; S32-Q86 CarbonylContact C-O 3.53Å; S32-Q86 WeakPolarHBondContact CA-O 3.21Å; C33-Q86 PolarHBondContact N-O 3.48Å; I48-Q86 HydrophobicContact CD1-CG 3.87Å; I48-Q86 HydrophobicContact CG1-CG 3.95Å; A49-Q86 WeakPolarHBondContact O-CA 3.3Å; L50-Q86 HydrophobicContact CG-CG 4.39Å; Q86-F88 HydrophobicContact CG-CD2 4.37Å; Q86-F88 HydrophobicContact CG-CE2 3.8Å; Q86-F88 HydrophobicContact CG-CZ 4.24Å
87V97.4Very high92.2Very high0 Ų050.4 Ų50.40%025%0.251CS..EExtended strand (participates in β ladder)trans-126.9127.2178.6-175.50000110.5C33 V35 I48 A49 L79 A80 M83 K85 V89C33-V87 HydrophobicContact CB-CG1 4.41Å; C33-V87 HydrophobicContact CB-CG2 4.15Å; C33-V87 CarbonylContact O-C 3.6Å; C33-V87 WeakPolarHBondContact O-CA 3.49Å; V35-V87 HydrophobicContact CG2-CG1 4.27Å; I48-V87 CarbonylContact C-O 3.41Å; I48-V87 WeakPolarHBondContact CA-O 3.37Å; A49-V87 PolarHBondContact N-O 3.33Å; A49-V87 PolarHBondContact O-N 2.6Å; L79-V87 HydrophobicContact CB-CB 4.3Å; L79-V87 HydrophobicContact CB-CG1 3.85Å; L79-V87 HydrophobicContact CB-CG2 4.13Å; L79-V87 HydrophobicContact CD1-CG1 4.16Å; A80-V87 HydrophobicContact CB-CB 4.16Å; A80-V87 HydrophobicContact CB-CG2 3.94Å; M83-V87 HydrophobicContact SD-CG2 3.73Å; K85-V87 PolarHBondContact O-N 2.63Å; V87-V89 HydrophobicContact CG1-CG2 3.89Å
88F98.3Very high92Very high52 Ų5254 Ų5423%0.22827%0.268CS..EExtended strand (participates in β ladder)trans-99.4131.8168-59.5-98.5000108.4C33 F34 V35 L46 A47 I48 L63 Q86C33-F88 PolarHBondContact O-N 3.25Å; F34-F88 HydrophobicContact CB-CB 4.42Å; F34-F88 HydrophobicContact CD2-CB 3.66Å; F34-F88 HydrophobicContact CE2-CB 4.47Å; V35-F88 PolarHBondContact N-O 3.31Å; L46-F88 HydrophobicContact CD1-CB 4.48Å; A47-F88 CarbonylContact O-C 3.59Å; A47-F88 VanDerWaalsContact O-CA 3.3Å; A47-F88 WeakPolarHBondContact O-CA 3.39Å; I48-F88 HydrophobicContact CB-CD1 4.01Å; I48-F88 HydrophobicContact CB-CE1 4.17Å; I48-F88 HydrophobicContact CD1-CD1 3.91Å; I48-F88 HydrophobicContact CD1-CE1 3.26Å; I48-F88 HydrophobicContact CD1-CE2 4.18Å; I48-F88 HydrophobicContact CD1-CZ 3.41Å; I48-F88 VanDerWaalsContact CD1-CZ 3.41Å; I48-F88 HydrophobicContact CG1-CD1 3.84Å; I48-F88 HydrophobicContact CG1-CE1 3.74Å; I48-F88 HydrophobicContact CG1-CE2 4.49Å; I48-F88 HydrophobicContact CG1-CG 4.28Å; I48-F88 HydrophobicContact CG1-CZ 4.07Å; L63-F88 HydrophobicContact CD1-CD1 4.21Å; L63-F88 HydrophobicContact CD1-CE1 4.24Å; Q86-F88 HydrophobicContact CG-CD2 4.37Å; Q86-F88 HydrophobicContact CG-CE2 3.8Å; Q86-F88 HydrophobicContact CG-CZ 4.24Å
89V97.9Very high91.9Very high0 Ų055.6 Ų55.60%027%0.274CS..EExtended strand (participates in β ladder)trans-125.8119.6176.5178.80000109.1V35 I37 L46 A47 L75 A76 L79 V87 C91V35-V89 HydrophobicContact CB-CG2 4.41Å; V35-V89 CarbonylContact O-C 3.56Å; V35-V89 VanDerWaalsContact O-CA 3.3Å; V35-V89 WeakPolarHBondContact O-CA 2.92Å; I37-V89 HydrophobicContact CD1-CG1 4.22Å; L46-V89 CarbonylContact C-O 3.58Å; L46-V89 WeakPolarHBondContact CA-O 3.49Å; A47-V89 PolarHBondContact N-O 2.93Å; A47-V89 PolarHBondContact O-N 2.87Å; L75-V89 HydrophobicContact CB-CG1 4.06Å; L75-V89 HydrophobicContact CB-CG2 4.33Å; L75-V89 HydrophobicContact CD1-CG1 4.32Å; A76-V89 HydrophobicContact CB-CB 4.17Å; A76-V89 HydrophobicContact CB-CG2 3.78Å; L79-V89 HydrophobicContact CD1-CG2 3.81Å; V87-V89 HydrophobicContact CG1-CG2 3.89Å; V89-C91 HydrophobicContact CG1-CB 4.5Å
90S97.8Very high91.8Very high1 Ų155.7 Ų55.71%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-103.1131.1163.1-171.90000110.9V35 W36 I37 D45V35-S90 PolarHBondContact O-N 3.41Å; W36-S90 CarbonylContact C-O 3.55Å; W36-S90 WeakPolarHBondContact CA-O 3.27Å; I37-S90 PolarHBondContact N-O 2.82Å; D45-S90 CarbonylContact O-C 3.53Å; D45-S90 WeakPolarHBondContact O-CA 3.5Å; D45-S90 PolarHBondContact O-OG 3.19Å
91C95.6Very high91.7Very high7 Ų758.6 Ų58.65%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-139.6120.8-176.4-1710000110.4I37 G44 D45 A72 V89I37-C91 WeakPolarHBondContact O-CA 3.34Å; G44-C91 WeakPolarHBondContact CA-O 3.48Å; D45-C91 PolarHBondContact N-O 2.88Å; D45-C91 PolarHBondContact O-N 3.25Å; A72-C91 HydrophobicContact CB-CB 4.37Å; V89-C91 HydrophobicContact CG1-CB 4.5Å
92N95Very high91.6Very high29 Ų2961.6 Ų61.616%0.15530%0.299CS..  trans-105.99.6169.877.818.7000113.1I37 G38 T39 S40 T42I37-N92 PolarHBondContact O-N 3.42Å; I37-N92 VanDerWaalsContact O-N 3.11Å; G38-N92 WeakPolarHBondContact CA-OD1 3.31Å; T39-N92 PolarHBondContact N-OD1 3.36Å; S40-N92 PolarHBondContact O-ND2 3.4Å; S40-N92 PolarHBondContact OG-ND2 3.06Å; T42-N92 PolarHBondContact O-ND2 2.94Å; T42-N92 PolarHBondContact OG1-ND2 3.29Å
93V92.1Very high91.8Very high14 Ų1457.5 Ų57.59%0.08528%0.281CS..  trans-84.7129.3-179.7-177.70000110.7Y22 I37 T39 M95 V100 I104Y22-V93 HydrophobicContact CD1-CG1 4.28Å; Y22-V93 HydrophobicContact CD1-CG2 4.09Å; Y22-V93 HydrophobicContact CE1-CG1 3.61Å; Y22-V93 HydrophobicContact CE1-CG2 4.26Å; I37-V93 HydrophobicContact CG2-CG2 3.77Å; T39-V93 HydrophobicContact CG2-CG1 4.42Å; T39-V93 HydrophobicContact CG2-CG2 4.15Å; V93-M95 HydrophobicContact CG1-CG 4.39Å; V93-M95 PolarHBondContact O-N 2.85Å; V93-V100 HydrophobicContact CG1-CG1 4.41Å; V93-I104 HydrophobicContact CG1-CD1 4.18Å
94E85.9Confident92.1Very high150 Ų15055.9 Ų55.970%0.70127%0.274SS*.  trans-72.8113.1165.1-63.6-171.7-171.900109.2E96E94-E96 VanDerWaalsContact C-N 3.34Å; E94-E96 HydrophobicContact CB-CG 4.22Å; E94-E96 PolarHBondContact O-N 3.01Å; E94-E96 VanDerWaalsContact O-N 3.14Å
95M82.9Confident92.2Very high39 Ų3954.3 Ų54.319%0.19225%0.253CS..  trans-89.975.6-179.6-67.8-145.4169.200111V71 L75 V93 S97 L101 I104V71-M95 HydrophobicContact CG1-CB 4.31Å; V71-M95 HydrophobicContact CG1-CE 4.1Å; V71-M95 HydrophobicContact CG1-CG 3.71Å; V71-M95 HydrophobicContact CG1-SD 3.48Å; V71-M95 WeakPolarHBondContact CG1-SD 3.42Å; V71-M95 HydrophobicContact CG2-CB 4Å; V71-M95 HydrophobicContact CG2-CG 4.32Å; L75-M95 HydrophobicContact CD1-CE 3.99Å; V93-M95 HydrophobicContact CG1-CG 4.39Å; V93-M95 PolarHBondContact O-N 2.85Å; M95-S97 VanDerWaalsContact C-N 3.31Å; M95-S97 PolarHBondContact O-N 2.85Å; M95-L101 HydrophobicContact CE-CD1 4.48Å; M95-L101 HydrophobicContact SD-CB 3.89Å; M95-L101 HydrophobicContact SD-CD1 3.43Å; M95-L101 WeakPolarHBondContact SD-CD1 3.29Å; M95-L101 HydrophobicContact SD-CG 4.25Å; M95-I104 HydrophobicContact CE-CB 4.04Å; M95-I104 HydrophobicContact CE-CD1 3.16Å; M95-I104 HydrophobicContact CE-CG1 4.15Å; M95-I104 HydrophobicContact CE-CG2 3.88Å
96E79.2Confident92.3Very high169 Ų16959.5 Ų59.579%0.7928%0.278SS*.  trans-72-23.8-176.5-57.8-174.6157.900113.2E94E94-E96 VanDerWaalsContact C-N 3.34Å; E94-E96 HydrophobicContact CB-CG 4.22Å; E94-E96 PolarHBondContact O-N 3.01Å; E94-E96 VanDerWaalsContact O-N 3.14Å
97S86.5Confident92.4Very high40 Ų4057.9 Ų57.928%0.2827%0.27SS..SBendtrans-136.5150-175.582.20000114.3M95 K99 V100 L101M95-S97 VanDerWaalsContact C-N 3.31Å; M95-S97 PolarHBondContact O-N 2.85Å; S97-K99 PolarHBondContact O-N 2.9Å; S97-V100 PolarHBondContact O-N 3.22Å; S97-V100 WeakPolarHBondContact OG-CG2 3.42Å; S97-V100 PolarHBondContact OG-N 3.24Å; S97-L101 PolarHBondContact O-N 2.82Å
98E89.5Confident92.3Very high134 Ų13458 Ų5863%0.62627%0.271SS*.Hα-helixtrans-60.3-29.1173.3-162.6-159.3137.800111.8R102E98-R102 VanDerWaalsContact O-CB 3.29Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 3.31Å; E98-R102 IonicContact OE1-CZ 3.75Å; E98-R102 IonicContact OE1-NH2 2.88Å; E98-R102 PolarHBondContact OE1-NH2 2.89Å
99K92.8Very high92Very high145 Ų14558.8 Ų58.863%0.6327%0.274SS*.Hα-helixtrans-64.4-47.7177.7-66.7-178.5-177.6174.90111.2F17 S97 R102 F103F17-K99 HydrophobicContact CE1-CB 4.43Å; F17-K99 HydrophobicContact CZ-CB 4.31Å; S97-K99 PolarHBondContact O-N 2.9Å; K99-R102 PolarHBondContact O-N 3.2Å; K99-F103 WeakPolarHBondContact O-CB 3.39Å; K99-F103 PolarHBondContact O-N 3.26Å
100V92.3Very high91.8Very high8 Ų862.4 Ų62.45%0.04829%0.291CS..Hα-helixtrans-62.4-45.8177.3170.80000110.5F17 Y22 V93 S97 R102 F103 I104F17-V100 HydrophobicContact CD1-CG2 4.28Å; F17-V100 HydrophobicContact CE1-CG2 4.04Å; Y22-V100 HydrophobicContact CE1-CG1 4.28Å; V93-V100 HydrophobicContact CG1-CG1 4.41Å; S97-V100 PolarHBondContact O-N 3.22Å; S97-V100 WeakPolarHBondContact OG-CG2 3.42Å; S97-V100 PolarHBondContact OG-N 3.24Å; V100-R102 VanDerWaalsContact C-N 3.31Å; V100-R102 PolarHBondContact O-N 2.8Å; V100-F103 PolarHBondContact O-N 2.84Å; V100-I104 HydrophobicContact CG1-CD1 3.76Å; V100-I104 PolarHBondContact O-N 2.94Å
101L90.9Very high91.7Very high61 Ų6162.4 Ų62.432%0.31929%0.291SS..Hα-helixtrans-58.7-43.2175.7177.464.9000111.7L75 M95 S97 N105L75-L101 HydrophobicContact CD2-CD1 3.84Å; L75-L101 HydrophobicContact CG-CD1 4.33Å; M95-L101 HydrophobicContact CE-CD1 4.48Å; M95-L101 HydrophobicContact SD-CB 3.89Å; M95-L101 HydrophobicContact SD-CD1 3.43Å; M95-L101 WeakPolarHBondContact SD-CD1 3.29Å; M95-L101 HydrophobicContact SD-CG 4.25Å; S97-L101 PolarHBondContact O-N 2.82Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.4Å; L101-N105 WeakPolarHBondContact O-CB 3.41Å; L101-N105 PolarHBondContact O-N 3.15Å; L101-N105 PolarHBondContact O-ND2 2.92Å
102R92.7Very high91.5Very high156 Ų15662.8 Ų62.859%0.58929%0.293SS*.Hα-helixtrans-64.8-46.6178.2-173.9-177.3-60.9-1761.7111.5E98 K99 V100 N105 Q106E98-R102 VanDerWaalsContact O-CB 3.29Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 3.31Å; E98-R102 IonicContact OE1-CZ 3.75Å; E98-R102 IonicContact OE1-NH2 2.88Å; E98-R102 PolarHBondContact OE1-NH2 2.89Å; K99-R102 PolarHBondContact O-N 3.2Å; V100-R102 VanDerWaalsContact C-N 3.31Å; V100-R102 PolarHBondContact O-N 2.8Å; R102-N105 PolarHBondContact O-N 3.31Å; R102-Q106 WeakPolarHBondContact O-CB 3.36Å; R102-Q106 PolarHBondContact O-N 2.83Å
103F95.1Very high91.3Very high36 Ų3665.3 Ų65.316%0.15831%0.306CS..Hα-helixtrans-56.7-52177161.5-107.3000111.5C15 F17 Y22 F24 K99 V100 N105 Q106 K107C15-F103 VanDerWaalsContact SG-CZ 3.59Å; F17-F103 HydrophobicContact CB-CD1 3.8Å; F17-F103 HydrophobicContact CB-CD2 4.13Å; F17-F103 HydrophobicContact CB-CE1 3.49Å; F17-F103 VanDerWaalsContact CB-CE1 3.49Å; F17-F103 HydrophobicContact CB-CE2 3.83Å; F17-F103 HydrophobicContact CB-CG 4.1Å; F17-F103 HydrophobicContact CB-CZ 3.48Å; F17-F103 VanDerWaalsContact CB-CZ 3.48Å; F17-F103 HydrophobicContact CD1-CB 4.03Å; F17-F103 AromaticContact CD1-CD1 3.7Å; F17-F103 HydrophobicContact CD1-CD1 3.7Å; F17-F103 HydrophobicContact CD1-CD2 4.46Å; F17-F103 HydrophobicContact CD1-CE1 4.27Å; F17-F103 AromaticContact CD1-CG 3.81Å; F17-F103 HydrophobicContact CD1-CG 3.81Å; F17-F103 HydrophobicContact CD2-CB 4.16Å; F17-F103 HydrophobicContact CD2-CD1 4.28Å; F17-F103 AromaticContact CD2-CD2 3.6Å; F17-F103 HydrophobicContact CD2-CD2 3.6Å; F17-F103 AromaticContact CD2-CE2 4Å; F17-F103 HydrophobicContact CD2-CE2 4Å; F17-F103 AromaticContact CD2-CG 3.75Å; F17-F103 HydrophobicContact CD2-CG 3.75Å; F17-F103 HydrophobicContact CD2-CZ 4.49Å; F17-F103 HydrophobicContact CE1-CB 3.85Å; F17-F103 HydrophobicContact CE1-CD1 4.36Å; F17-F103 HydrophobicContact CE1-CG 4.15Å; F17-F103 HydrophobicContact CE2-CB 3.99Å; F17-F103 HydrophobicContact CE2-CD2 4.11Å; F17-F103 HydrophobicContact CE2-CG 4.09Å; F17-F103 HydrophobicContact CG-CB 4.19Å; F17-F103 AromaticContact CG-CD1 3.65Å; F17-F103 HydrophobicContact CG-CD1 3.65Å; F17-F103 AromaticContact CG-CD2 3.81Å; F17-F103 HydrophobicContact CG-CD2 3.81Å; F17-F103 AromaticContact CG-CE1 3.91Å; F17-F103 HydrophobicContact CG-CE1 3.91Å; F17-F103 HydrophobicContact CG-CE2 4.03Å; F17-F103 AromaticContact CG-CG 3.6Å; F17-F103 HydrophobicContact CG-CG 3.6Å; F17-F103 HydrophobicContact CG-CZ 4.07Å; F17-F103 HydrophobicContact CZ-CB 3.83Å; F17-F103 HydrophobicContact CZ-CG 4.28Å; Y22-F103 HydrophobicContact CD2-CD1 4.47Å; Y22-F103 AromaticContact CD2-CE1 3.65Å; Y22-F103 HydrophobicContact CD2-CE1 3.65Å; Y22-F103 HydrophobicContact CD2-CZ 4.4Å; Y22-F103 HydrophobicContact CE2-CE1 4.08Å; Y22-F103 HydrophobicContact CG-CE1 4.08Å; F24-F103 HydrophobicContact CE2-CE1 4.43Å; F24-F103 HydrophobicContact CE2-CZ 4.47Å; F24-F103 HydrophobicContact CZ-CE1 4Å; F24-F103 HydrophobicContact CZ-CZ 4.35Å; K99-F103 WeakPolarHBondContact O-CB 3.39Å; K99-F103 PolarHBondContact O-N 3.26Å; V100-F103 PolarHBondContact O-N 2.84Å; F103-N105 PolarHBondContact O-N 3.4Å; F103-Q106 PolarHBondContact O-N 2.94Å; F103-Q106 VanDerWaalsContact O-N 3.15Å; F103-K107 WeakPolarHBondContact O-CB 3.1Å; F103-K107 PolarHBondContact O-N 2.98Å
104I95Very high91.2Very high0 Ų068.8 Ų68.80%032%0.32CS..Hα-helixtrans-61.3-43.8179.7-78.2163.9000111.6Y22 F24 I37 L75 V93 M95 V100 Q106 K107 V108Y22-I104 HydrophobicContact CD1-CD1 4.21Å; Y22-I104 HydrophobicContact CE1-CD1 4.17Å; F24-I104 HydrophobicContact CE1-CB 4.35Å; F24-I104 HydrophobicContact CE1-CG1 3.93Å; F24-I104 HydrophobicContact CE1-CG2 4.2Å; F24-I104 HydrophobicContact CZ-CG1 3.89Å; I37-I104 HydrophobicContact CD1-CG2 3.63Å; I37-I104 HydrophobicContact CG1-CG2 4.36Å; I37-I104 HydrophobicContact CG2-CD1 4.05Å; I37-I104 HydrophobicContact CG2-CG1 4.27Å; I37-I104 HydrophobicContact CG2-CG2 4.2Å; L75-I104 HydrophobicContact CD1-CG2 4.46Å; V93-I104 HydrophobicContact CG1-CD1 4.18Å; M95-I104 HydrophobicContact CE-CB 4.04Å; M95-I104 HydrophobicContact CE-CD1 3.16Å; M95-I104 HydrophobicContact CE-CG1 4.15Å; M95-I104 HydrophobicContact CE-CG2 3.88Å; V100-I104 HydrophobicContact CG1-CD1 3.76Å; V100-I104 PolarHBondContact O-N 2.94Å; I104-Q106 VanDerWaalsContact C-N 3.31Å; I104-Q106 PolarHBondContact O-N 2.88Å; I104-K107 PolarHBondContact O-N 2.91Å; I104-V108 WeakPolarHBondContact O-CG2 3.41Å; I104-V108 PolarHBondContact O-N 3.11Å
105N92.4Very high91.3Very high15 Ų1562.5 Ų62.58%0.0829%0.291CS..Hα-helixtrans-58.7-43.1175.6-88.3-75.9000112.5K78 L101 R102 F103 F109K78-N105 VanDerWaalsContact CD-OD1 3.27Å; K78-N105 WeakPolarHBondContact CD-OD1 3.36Å; K78-N105 VanDerWaalsContact CE-OD1 3.28Å; K78-N105 WeakPolarHBondContact CE-OD1 3.39Å; K78-N105 VanDerWaalsContact NZ-CG 3.33Å; K78-N105 PolarHBondContact NZ-ND2 2.77Å; K78-N105 PolarHBondContact NZ-OD1 3.4Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.4Å; L101-N105 WeakPolarHBondContact O-CB 3.41Å; L101-N105 PolarHBondContact O-N 3.15Å; L101-N105 PolarHBondContact O-ND2 2.92Å; R102-N105 PolarHBondContact O-N 3.31Å; F103-N105 PolarHBondContact O-N 3.4Å; N105-F109 WeakPolarHBondContact O-CB 3.04Å; N105-F109 PolarHBondContact O-N 2.88Å
106Q94.3Very high91.3Very high132 Ų13263.6 Ų63.662%0.61730%0.295SS*.Hα-helixtrans-67.5-43.7179.2-176.8171.1-6.300110.9R102 F103 I104 F109 E110R102-Q106 WeakPolarHBondContact O-CB 3.36Å; R102-Q106 PolarHBondContact O-N 2.83Å; F103-Q106 PolarHBondContact O-N 2.94Å; F103-Q106 VanDerWaalsContact O-N 3.15Å; I104-Q106 VanDerWaalsContact C-N 3.31Å; I104-Q106 PolarHBondContact O-N 2.88Å; Q106-F109 PolarHBondContact O-N 2.84Å; Q106-E110 PolarHBondContact O-N 3.06Å
107K96.3Very high91.5Very high28 Ų2860.5 Ų60.512%0.12228%0.281CS..Hα-helixtrans-61.9-49.5-179.1-173.462.7178.5-177.10112.5E13 F24 F103 I104 F109 E110 M111E13-K107 WeakPolarHBondContact OE2-CE 3.32Å; E13-K107 IonicContact OE2-NZ 3.54Å; E13-K107 PolarHBondContact OE2-NZ 3.14Å; F24-K107 HydrophobicContact CD1-CG 4.13Å; F24-K107 HydrophobicContact CD2-CG 4.02Å; F24-K107 HydrophobicContact CE1-CB 4.06Å; F24-K107 HydrophobicContact CE1-CG 3.92Å; F24-K107 HydrophobicContact CE2-CG 3.83Å; F24-K107 HydrophobicContact CG-CG 4.17Å; F24-K107 HydrophobicContact CZ-CB 4.05Å; F24-K107 HydrophobicContact CZ-CG 3.78Å; F103-K107 WeakPolarHBondContact O-CB 3.1Å; F103-K107 PolarHBondContact O-N 2.98Å; I104-K107 PolarHBondContact O-N 2.91Å; K107-F109 VanDerWaalsContact C-N 3.26Å; K107-F109 PolarHBondContact O-N 2.81Å; K107-E110 WeakPolarHBondContact O-CB 3.4Å; K107-E110 PolarHBondContact O-N 3.01Å; K107-M111 HydrophobicContact CG-SD 4.08Å; K107-M111 VanDerWaalsContact O-CG 3.31Å; K107-M111 WeakPolarHBondContact O-CG 3.34Å; K107-M111 PolarHBondContact O-N 2.69Å
108V95.6Very high90.9Very high2 Ų262.4 Ų62.41%0.01229%0.291CS..Hα-helixtrans-61.4-38.3178174.80000111.2F24 L26 V35 I37 L79 M83 I104 M111 N112F24-V108 HydrophobicContact CD1-CG2 4.01Å; F24-V108 HydrophobicContact CE1-CG2 4.26Å; L26-V108 HydrophobicContact CD1-CG1 4.32Å; V35-V108 HydrophobicContact CG1-CG1 3.87Å; V35-V108 HydrophobicContact CG1-CG2 3.79Å; V35-V108 HydrophobicContact CG2-CG1 3.98Å; I37-V108 HydrophobicContact CD1-CG2 4.26Å; I37-V108 HydrophobicContact CG1-CG2 4.39Å; L79-V108 HydrophobicContact CD1-CG1 3.85Å; L79-V108 HydrophobicContact CD2-CB 4.3Å; L79-V108 HydrophobicContact CD2-CG1 3.67Å; L79-V108 HydrophobicContact CG-CG1 4.43Å; M83-V108 HydrophobicContact CE-CG1 4.22Å; I104-V108 WeakPolarHBondContact O-CG2 3.41Å; I104-V108 PolarHBondContact O-N 3.11Å; V108-M111 PolarHBondContact O-N 3.03Å; V108-N112 WeakPolarHBondContact O-CB 3.18Å; V108-N112 PolarHBondContact O-N 3.3Å
109F92.1Very high90Very high68 Ų6860.7 Ų60.730%0.29828%0.281SS..Hα-helixtrans-67.4-41.7177.4-177.7-110.3000112.8K82 N105 Q106 K107 N112 L113K82-F109 HydrophobicContact CD-CD2 3.48Å; K82-F109 VanDerWaalsContact CD-CD2 3.48Å; K82-F109 HydrophobicContact CD-CE2 3.6Å; K82-F109 HydrophobicContact CD-CG 4.2Å; K82-F109 HydrophobicContact CD-CZ 4.4Å; K82-F109 VanDerWaalsContact CE-CZ 3.45Å; K82-F109 HydrophobicContact CG-CD2 4.22Å; K82-F109 HydrophobicContact CG-CE2 3.99Å; K82-F109 VanDerWaalsContact NZ-CE1 3.3Å; K82-F109 VanDerWaalsContact NZ-CE2 3.31Å; N105-F109 WeakPolarHBondContact O-CB 3.04Å; N105-F109 PolarHBondContact O-N 2.88Å; Q106-F109 PolarHBondContact O-N 2.84Å; K107-F109 VanDerWaalsContact C-N 3.26Å; K107-F109 PolarHBondContact O-N 2.81Å; F109-N112 PolarHBondContact O-N 3.47Å; F109-L113 WeakPolarHBondContact O-CB 3.43Å; F109-L113 PolarHBondContact O-N 3.34Å
110E94.7Very high88.6Confident76 Ų7657.8 Ų57.836%0.35528%0.279SS..Hα-helixtrans-60.3-46.9174.5-173-163.9141.300111.2Q106 K107 N112 L113 K114Q106-E110 PolarHBondContact O-N 3.06Å; K107-E110 WeakPolarHBondContact O-CB 3.4Å; K107-E110 PolarHBondContact O-N 3.01Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 3.01Å; E110-L113 PolarHBondContact O-N 2.89Å; E110-K114 WeakPolarHBondContact O-CG 3.33Å; E110-K114 PolarHBondContact O-N 2.72Å; E110-K114 WeakPolarHBondContact OE1-CE 3.35Å; E110-K114 IonicContact OE1-NZ 3.91Å; E110-K114 PolarHBondContact OE1-NZ 2.81Å
111M95.1Very high87.3Confident2 Ų263.3 Ų63.31%0.0131%0.309CS..Hα-helixtrans-59-43.4176.9-70.1171.37000111.7V11 E13 F24 L26 K107 V108 K114 L115V11-M111 HydrophobicContact CG1-CB 4.14Å; V11-M111 HydrophobicContact CG1-CE 3.63Å; V11-M111 HydrophobicContact CG2-CE 4.34Å; E13-M111 HydrophobicContact CB-CE 4.18Å; E13-M111 HydrophobicContact CB-SD 4.34Å; E13-M111 HydrophobicContact CG-CE 4.16Å; E13-M111 HydrophobicContact CG-SD 4.49Å; F24-M111 HydrophobicContact CB-CE 3.54Å; F24-M111 HydrophobicContact CB-SD 3.48Å; F24-M111 WeakPolarHBondContact CB-SD 3.37Å; F24-M111 HydrophobicContact CD1-SD 4.39Å; F24-M111 HydrophobicContact CG-SD 3.98Å; L26-M111 HydrophobicContact CB-CE 4.19Å; L26-M111 HydrophobicContact CD1-CB 4.07Å; K107-M111 HydrophobicContact CG-SD 4.08Å; K107-M111 VanDerWaalsContact O-CG 3.31Å; K107-M111 WeakPolarHBondContact O-CG 3.34Å; K107-M111 PolarHBondContact O-N 2.69Å; V108-M111 PolarHBondContact O-N 3.03Å; M111-K114 PolarHBondContact O-N 2.71Å; M111-L115 PolarHBondContact O-N 3.29Å; M111-L115 VanDerWaalsContact O-N 3.13Å
112N91.8Very high85.9Confident15 Ų1564.7 Ų64.78%0.0832%0.323CS..Hα-helixtrans-64.3-43.4176-174.280.4000112.2L26 M83 V108 F109 E110 K114 L115 E116L26-N112 HydrophobicContact CD1-CB 3.96Å; M83-N112 HydrophobicContact CE-CB 3.73Å; V108-N112 WeakPolarHBondContact O-CB 3.18Å; V108-N112 PolarHBondContact O-N 3.3Å; F109-N112 PolarHBondContact O-N 3.47Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 3.01Å; N112-K114 VanDerWaalsContact C-N 3.34Å; N112-K114 PolarHBondContact O-N 2.97Å; N112-L115 PolarHBondContact O-N 2.87Å; N112-E116 WeakPolarHBondContact O-CG 3.31Å; N112-E116 PolarHBondContact O-N 2.93Å
113L90.2Very high84Confident82 Ų8260.5 Ų60.543%0.42933%0.328SS..Hα-helixtrans-62-42.5179.3-176.164.4000111.6F109 E110 L115 E116 Q117F109-L113 WeakPolarHBondContact O-CB 3.43Å; F109-L113 PolarHBondContact O-N 3.34Å; E110-L113 PolarHBondContact O-N 2.89Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.62Å; L113-E116 PolarHBondContact O-N 3.27Å; L113-Q117 WeakPolarHBondContact O-CG 3.29Å; L113-Q117 PolarHBondContact O-N 3.21Å
114K89.7Confident81.3Confident86 Ų8664.1 Ų64.137%0.37435%0.354SS..Hα-helixtrans-58.3-45.4174.3-73.2169.9174.8171.20111.6E13 E110 M111 N112 Q117 V118E13-K114 IonicContact OE1-NZ 3.42Å; E13-K114 PolarHBondContact OE1-NZ 3.08Å; E110-K114 WeakPolarHBondContact O-CG 3.33Å; E110-K114 PolarHBondContact O-N 2.72Å; E110-K114 WeakPolarHBondContact OE1-CE 3.35Å; E110-K114 IonicContact OE1-NZ 3.91Å; E110-K114 PolarHBondContact OE1-NZ 2.81Å; M111-K114 PolarHBondContact O-N 2.71Å; N112-K114 VanDerWaalsContact C-N 3.34Å; N112-K114 PolarHBondContact O-N 2.97Å; K114-Q117 PolarHBondContact O-N 3.44Å; K114-V118 WeakPolarHBondContact O-CG2 2.85Å; K114-V118 PolarHBondContact O-N 3.4Å
115L87.7Confident78.7Confident19 Ų1974.5 Ų74.510%0.09942%0.416CS..Hα-helixtrans-63.8-40.9178.5-77.5-178.3000113.4R9 V11 L26 M111 N112 L113 V118 K119R9-L115 HydrophobicContact CB-CD2 4.02Å; V11-L115 HydrophobicContact CB-CD1 4.29Å; V11-L115 HydrophobicContact CB-CD2 4.09Å; V11-L115 HydrophobicContact CB-CG 4.25Å; V11-L115 HydrophobicContact CG1-CD1 3.63Å; V11-L115 HydrophobicContact CG1-CD2 4.29Å; V11-L115 HydrophobicContact CG1-CG 3.91Å; L26-L115 HydrophobicContact CD2-CD1 3.4Å; L26-L115 VanDerWaalsContact CD2-CD1 3.4Å; L26-L115 HydrophobicContact CG-CD1 4.42Å; M111-L115 PolarHBondContact O-N 3.29Å; M111-L115 VanDerWaalsContact O-N 3.13Å; N112-L115 PolarHBondContact O-N 2.87Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.62Å; L115-V118 PolarHBondContact O-N 2.9Å; L115-K119 PolarHBondContact O-N 2.74Å
116E83.3Confident78Confident61 Ų6177.5 Ų77.529%0.28543%0.433SS..Hα-helixtrans-73.2-29.5178.9-63.3-59.4149.700112.3S28 K85 N112 L113 K119 S120S28-E116 PolarHBondContact OG-OE1 3.03Å; K85-E116 IonicContact NZ-OE1 3.1Å; N112-E116 WeakPolarHBondContact O-CG 3.31Å; N112-E116 PolarHBondContact O-N 2.93Å; L113-E116 PolarHBondContact O-N 3.27Å; E116-K119 WeakPolarHBondContact O-CB 3.37Å; E116-K119 PolarHBondContact O-N 2.94Å; E116-S120 PolarHBondContact O-N 3.1Å
117Q82.8Confident77.1Confident105 Ų10574.6 Ų74.649%0.49142%0.424SS..Hα-helixtrans-66.3-40171.9-74.2175.411.500112.2L113 K114 K119 S120 N121L113-Q117 WeakPolarHBondContact O-CG 3.29Å; L113-Q117 PolarHBondContact O-N 3.21Å; K114-Q117 PolarHBondContact O-N 3.44Å; Q117-K119 PolarHBondContact O-N 2.8Å; Q117-S120 PolarHBondContact O-N 2.91Å; Q117-S120 VanDerWaalsContact O-N 3.14Å; Q117-N121 PolarHBondContact O-N 3.06Å; Q117-N121 VanDerWaalsContact O-N 3.11Å
118V75.2Confident76.1Confident79 Ų7977.2 Ų77.248%0.47944%0.44SS..Hα-helixtrans-58.9-38.7173.6174.20000110.7K114 L115 S120 N121 S122K114-V118 WeakPolarHBondContact O-CG2 2.85Å; K114-V118 PolarHBondContact O-N 3.4Å; L115-V118 PolarHBondContact O-N 2.9Å; V118-S120 PolarHBondContact O-N 2.69Å; V118-N121 PolarHBondContact O-N 3.1Å; V118-S122 PolarHBondContact O-N 3.45Å; V118-S122 VanDerWaalsContact O-N 3.09Å; V118-S122 PolarHBondContact O-OG 3.15Å; V118-S122 VanDerWaalsContact O-OG 3.13Å
119K69.3Low74.9Confident98 Ų9881.6 Ų81.643%0.42647%0.466SS..Hα-helixtrans-60.9-41.7175.4-176.4-179.7179.2-176.90112.5L115 E116 Q117L115-K119 PolarHBondContact O-N 2.74Å; E116-K119 WeakPolarHBondContact O-CB 3.37Å; E116-K119 PolarHBondContact O-N 2.94Å; Q117-K119 PolarHBondContact O-N 2.8Å
120S63.5Low73.8Confident84 Ų8482.4 Ų82.459%0.58748%0.476SS*.Hα-helixtrans-67.7-36.3178-167.80000112.8E116 Q117 V118E116-S120 PolarHBondContact O-N 3.1Å; Q117-S120 PolarHBondContact O-N 2.91Å; Q117-S120 VanDerWaalsContact O-N 3.14Å; V118-S120 PolarHBondContact O-N 2.69Å
121N65.5Low72.5Confident125 Ų12582.9 Ų82.967%0.66848%0.484SS*.Hα-helixtrans-77.3-33.4-176.7-68-8.2000112.5Q117 V118 G123Q117-N121 PolarHBondContact O-N 3.06Å; Q117-N121 VanDerWaalsContact O-N 3.11Å; V118-N121 PolarHBondContact O-N 3.1Å; N121-G123 PolarHBondContact O-N 2.94Å
122S61.1Low70.8Confident89 Ų8988.6 Ų88.662%0.62252%0.518SS*.Hα-helixtrans-70.5-14.9176.8-58.90000114V118 T124V118-S122 PolarHBondContact O-N 3.45Å; V118-S122 VanDerWaalsContact O-N 3.09Å; V118-S122 PolarHBondContact O-OG 3.15Å; V118-S122 VanDerWaalsContact O-OG 3.13Å; S122-T124 VanDerWaalsContact C-N 3.32Å; S122-T124 PolarHBondContact O-N 2.99Å
123G53.9Low69.2Low68 Ų6894.3 Ų94.370%0.70155%0.552SS**THydrogen-bonded Turntrans-83.94.3178.800000115.6N121N121-G123 PolarHBondContact O-N 2.94Å
124T38.4Very low67.5Low113 Ų11395.3 Ų95.369%0.69356%0.562SS**  trans-115.370-174.9-37.10000112S122S122-T124 VanDerWaalsContact C-N 3.32Å; S122-T124 PolarHBondContact O-N 2.99Å
125V39.2Very low65.4Low217 Ų21796.2 Ų96.2100%1.31558%0.579SS**  trans-149.10150.7-173.40000109.1

Retrieved 125 of 125 residues in 178 ms (Link to these results)

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