A0A087XYE9_POEFO Loading...

GTP cyclohydrolase 1 feedback regulatory protein

AlphaFold DB , UniProt , Accession A0A087XYE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 73 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
1S91.4Very high97.1Very high144 Ų14471.2 Ų71.2100%1.00742%0.419SS*.  0165.3037.80000108.8
2G95.1Very high97.2Very high25 Ų2572.3 Ų72.326%0.25842%0.422SS..  trans-79.5-169.9165.800000111.7D37G2-D37 WeakPolarHBondContact CA-O 3.42Å
3P96.9Very high97.2Very high94 Ų9473.6 Ų73.661%0.6143%0.434SS*.  cis-72.6161.50.731.2-36000113V36P3-V36 CarbonylContact C-O 3.58Å; P3-V36 WeakPolarHBondContact CA-O 3.34Å; P3-V36 WeakPolarHBondContact CB-O 3.29Å
4T98.6Very high97.3Very high19 Ų1973.1 Ų73.112%0.11744%0.442CS..EExtended strand (participates in β ladder)trans-119.3123.1173.3-54.40000109.3V6 H35 V36 E38 P40 V43T4-V6 HydrophobicContact CG2-CG1 4Å; T4-H35 VanDerWaalsContact O-CA 3.29Å; T4-H35 WeakPolarHBondContact O-CA 3.43Å; T4-V36 PolarHBondContact N-O 3.34Å; T4-V36 PolarHBondContact O-N 3.37Å; T4-E38 PolarHBondContact OG1-O 3.35Å; T4-P40 HydrophobicContact CG2-CB 4.17Å; T4-P40 WeakPolarHBondContact OG1-CD 3.23Å; T4-P40 VanDerWaalsContact OG1-N 3.13Å; T4-V43 HydrophobicContact CG2-CB 4.48Å; T4-V43 HydrophobicContact CG2-CG2 4.07Å
5N98.3Very high97.4Very high86 Ų8670.5 Ų70.546%0.4642%0.424SS..EExtended strand (participates in β ladder)trans-75.6129.5169.9-709.9000108.8E33 Y34N5-E33 PolarHBondContact ND2-OE1 3.12Å; N5-Y34 WeakPolarHBondContact CA-O 3.26Å
6V98.6Very high97.4Very high31 Ų3166.8 Ų66.819%0.18840%0.401CS..EExtended strand (participates in β ladder)trans-126.6-4.5-169.6-62.90000114.3T4 M16 L19 A21 Y34 V36 V43T4-V6 HydrophobicContact CG2-CG1 4Å; V6-M16 HydrophobicContact CG2-SD 3.91Å; V6-M16 WeakPolarHBondContact O-CE 3.24Å; V6-L19 HydrophobicContact CB-CD1 3.9Å; V6-L19 HydrophobicContact CG1-CD1 4.25Å; V6-L19 HydrophobicContact CG2-CD1 4.07Å; V6-A21 HydrophobicContact CG2-CB 3.61Å; V6-Y34 PolarHBondContact N-O 2.84Å; V6-V36 HydrophobicContact CG1-CG2 4.1Å; V6-V36 HydrophobicContact CG2-CG1 4.48Å; V6-V43 HydrophobicContact CG1-CG1 3.65Å; V6-V43 HydrophobicContact CG1-CG2 4.28Å
7G98.3Very high97.5Very high19 Ų1968.2 Ų68.220%0.19642%0.415CS..EExtended strand (participates in β ladder)trans-176163.9177.800000113.5S11 E33 Y34G7-S11 VanDerWaalsContact CA-OG 3.23Å; G7-S11 WeakPolarHBondContact CA-OG 3.42Å; G7-E33 CarbonylContact O-C 3.58Å; G7-E33 WeakPolarHBondContact O-CA 3.2Å; G7-Y34 PolarHBondContact O-N 3.48Å
8D98.3Very high97.6Very high86 Ų8670.3 Ų70.346%0.4642%0.415SS..EExtended strand (participates in β ladder)trans-98-173.2171.757.841.1000111.3F10 S11 Y34D8-F10 PolarHBondContact O-N 2.88Å; D8-F10 WeakPolarHBondContact OD1-CA 3.47Å; D8-F10 PolarHBondContact OD1-N 2.7Å; D8-S11 PolarHBondContact N-OG 3.08Å; D8-S11 WeakPolarHBondContact O-CB 3.48Å; D8-S11 PolarHBondContact O-N 2.68Å; D8-S11 PolarHBondContact O-OG 3.48Å; D8-S11 PolarHBondContact OD1-N 3.48Å; D8-S11 PolarHBondContact OD1-OG 3.31Å; D8-Y34 WeakPolarHBondContact O-CD2 3.47Å; D8-Y34 WeakPolarHBondContact O-CE2 3.4Å
9E97.1Very high97.6Very high84 Ų8466.8 Ų66.839%0.39339%0.394SS..THydrogen-bonded Turntrans-64.3-21.1-177.270.1-177.8139.100115.3K23 S32E9-K23 PolarHBondContact O-NZ 2.9Å; E9-S32 PolarHBondContact N-O 3.06Å
10F97.5Very high97.6Very high171 Ų17166.3 Ų66.375%0.7540%0.403SS*.THydrogen-bonded Turntrans-103.8-1-176.7-56.8-67.3000113.2D8D8-F10 PolarHBondContact O-N 2.88Å; D8-F10 WeakPolarHBondContact OD1-CA 3.47Å; D8-F10 PolarHBondContact OD1-N 2.7Å
11S98Very high97.7Very high24 Ų2464 Ų6417%0.16839%0.391CS..SBendtrans-60.4144.5178.6-65.70000111.8G7 D8 P13G7-S11 VanDerWaalsContact CA-OG 3.23Å; G7-S11 WeakPolarHBondContact CA-OG 3.42Å; D8-S11 PolarHBondContact N-OG 3.08Å; D8-S11 WeakPolarHBondContact O-CB 3.48Å; D8-S11 PolarHBondContact O-N 2.68Å; D8-S11 PolarHBondContact O-OG 3.48Å; D8-S11 PolarHBondContact OD1-N 3.48Å; D8-S11 PolarHBondContact OD1-OG 3.31Å; S11-P13 VanDerWaalsContact O-CD 3.26Å; S11-P13 WeakPolarHBondContact O-CD 3.48Å; S11-P13 VanDerWaalsContact O-N 3.11Å
12D98.2Very high98Very high85 Ų8563.2 Ų63.246%0.45537%0.366SS..  trans-54.3114.3-176.4-176.8-21.8000111.1A14 I15 M16D12-A14 PolarHBondContact O-N 3.22Å; D12-A14 WeakPolarHBondContact OD1-CB 3.43Å; D12-A14 PolarHBondContact OD1-N 2.91Å; D12-I15 HydrophobicContact CB-CB 4.23Å; D12-I15 HydrophobicContact CB-CD1 3.98Å; D12-I15 HydrophobicContact CB-CG1 4Å; D12-I15 PolarHBondContact O-N 3.27Å; D12-I15 VanDerWaalsContact O-N 3.1Å; D12-M16 WeakPolarHBondContact O-CG 3.38Å; D12-M16 PolarHBondContact O-N 2.98Å
13P97.9Very high98.1Very high89 Ų8966.5 Ų66.558%0.57837%0.374SS*.Hα-helixtrans-58.9-30.5-177.7-2534.6000113.7S11 S17S11-P13 VanDerWaalsContact O-CD 3.26Å; S11-P13 WeakPolarHBondContact O-CD 3.48Å; S11-P13 VanDerWaalsContact O-N 3.11Å; P13-S17 WeakPolarHBondContact O-CB 3.43Å; P13-S17 PolarHBondContact O-N 3.09Å
14A98.1Very high98.1Very high67 Ų6764.5 Ų64.555%0.55436%0.359SS*.Hα-helixtrans-68.6-40.9178.600000111.1D12 Y18D12-A14 PolarHBondContact O-N 3.22Å; D12-A14 WeakPolarHBondContact OD1-CB 3.43Å; D12-A14 PolarHBondContact OD1-N 2.91Å; A14-Y18 WeakPolarHBondContact O-CB 3.4Å; A14-Y18 PolarHBondContact O-N 3.5Å
15I98.2Very high98Very high34 Ų3467.5 Ų67.517%0.17438%0.378CS..Hα-helixtrans-68.9-43.9176-59.3-179.8000110.2D12 S17 Y18 L19 L47 I50 F52D12-I15 HydrophobicContact CB-CB 4.23Å; D12-I15 HydrophobicContact CB-CD1 3.98Å; D12-I15 HydrophobicContact CB-CG1 4Å; D12-I15 PolarHBondContact O-N 3.27Å; D12-I15 VanDerWaalsContact O-N 3.1Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 3.43Å; I15-Y18 WeakPolarHBondContact O-CB 3.49Å; I15-Y18 PolarHBondContact O-N 3.2Å; I15-L19 HydrophobicContact CG2-CD1 4.3Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 3.04Å; I15-L47 HydrophobicContact CG2-CD2 4.19Å; I15-I50 HydrophobicContact CG1-CD1 4.42Å; I15-I50 HydrophobicContact CG2-CD1 4.05Å; I15-F52 HydrophobicContact CD1-CE2 3.97Å; I15-F52 HydrophobicContact CD1-CZ 3.87Å
16M98.6Very high97.8Very high10 Ų1068.4 Ų68.45%0.04938%0.381CS..Hα-helixtrans-61.4-41178.1-64-57.1101.300111.7V6 D12 L19 G20 A21 Y34V6-M16 HydrophobicContact CG2-SD 3.91Å; V6-M16 WeakPolarHBondContact O-CE 3.24Å; D12-M16 WeakPolarHBondContact O-CG 3.38Å; D12-M16 PolarHBondContact O-N 2.98Å; M16-L19 HydrophobicContact CE-CD1 4.09Å; M16-L19 PolarHBondContact O-N 3.45Å; M16-G20 PolarHBondContact O-N 2.84Å; M16-A21 HydrophobicContact CB-CB 4.42Å; M16-A21 WeakPolarHBondContact O-CB 3.25Å; M16-A21 PolarHBondContact O-N 2.88Å; M16-Y34 HydrophobicContact CB-CD1 3.8Å; M16-Y34 HydrophobicContact CB-CE1 3.81Å; M16-Y34 HydrophobicContact CB-CG 4.17Å; M16-Y34 HydrophobicContact CG-CD1 3.85Å; M16-Y34 HydrophobicContact CG-CD2 3.73Å; M16-Y34 HydrophobicContact CG-CE1 3.98Å; M16-Y34 HydrophobicContact CG-CE2 3.86Å; M16-Y34 HydrophobicContact CG-CG 3.72Å; M16-Y34 VanDerWaalsContact SD-CB 3.54Å; M16-Y34 HydrophobicContact SD-CD1 4.19Å; M16-Y34 HydrophobicContact SD-CD2 3.81Å; M16-Y34 HydrophobicContact SD-CG 3.6Å; M16-Y34 VanDerWaalsContact SD-CG 3.6Å
17S98.4Very high97.7Very high92 Ų9275.9 Ų75.964%0.64342%0.419SS*.Hα-helixtrans-63.2-45.3173.6-175.40000112P13 I15 L19 G20P13-S17 WeakPolarHBondContact O-CB 3.43Å; P13-S17 PolarHBondContact O-N 3.09Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 3.43Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 3.35Å; S17-G20 PolarHBondContact O-N 2.97Å
18Y98.6Very high97.6Very high106 Ų10678.3 Ų78.342%0.41644%0.444SS..Hα-helixtrans-58.6-39176.1172.2-101.9000112.9A14 I15 G20 K46 I50A14-Y18 WeakPolarHBondContact O-CB 3.4Å; A14-Y18 PolarHBondContact O-N 3.5Å; I15-Y18 WeakPolarHBondContact O-CB 3.49Å; I15-Y18 PolarHBondContact O-N 3.2Å; Y18-G20 PolarHBondContact O-N 2.83Å; Y18-K46 HydrophobicContact CE1-CB 3.97Å; Y18-I50 HydrophobicContact CD1-CD1 4.08Å; Y18-I50 HydrophobicContact CD1-CG2 4.29Å; Y18-I50 HydrophobicContact CE1-CD1 4.24Å; Y18-I50 HydrophobicContact CE1-CG1 4.49Å; Y18-I50 HydrophobicContact CE1-CG2 3.78Å; Y18-I50 HydrophobicContact CE2-CG2 4.4Å
19L98.5Very high97.5Very high3 Ų376.7 Ų76.72%0.01644%0.435CS..Hα-helixtrans-71.4-18175.5-66.2177.1000112.9V6 I15 M16 S17 V36 V43 K46 L47V6-L19 HydrophobicContact CB-CD1 3.9Å; V6-L19 HydrophobicContact CG1-CD1 4.25Å; V6-L19 HydrophobicContact CG2-CD1 4.07Å; I15-L19 HydrophobicContact CG2-CD1 4.3Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 3.04Å; M16-L19 HydrophobicContact CE-CD1 4.09Å; M16-L19 PolarHBondContact O-N 3.45Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 3.35Å; L19-V36 HydrophobicContact CB-CG1 4.37Å; L19-V43 HydrophobicContact CD1-CG1 4.46Å; L19-V43 HydrophobicContact CD2-CG1 4.31Å; L19-K46 HydrophobicContact CD2-CB 3.77Å; L19-K46 HydrophobicContact CD2-CD 3.95Å; L19-K46 PolarHBondContact O-NZ 2.94Å; L19-L47 HydrophobicContact CD1-CD2 4.14Å; L19-L47 HydrophobicContact CD2-CD2 4.13Å; L19-L47 HydrophobicContact CD2-CG 4.22Å
20G98.2Very high97.4Very high56 Ų5680.7 Ų80.758%0.57746%0.459SS*.THydrogen-bonded Turntrans76.228.4-172.300000112.6M16 S17 Y18M16-G20 PolarHBondContact O-N 2.84Å; S17-G20 PolarHBondContact O-N 2.97Å; Y18-G20 PolarHBondContact O-N 2.83Å
21A98.6Very high97.3Very high18 Ų1877.2 Ų77.215%0.14944%0.444CS..  trans-79145.6-173.300000112.8V6 M16 Y34 H35 V36V6-A21 HydrophobicContact CG2-CB 3.61Å; M16-A21 HydrophobicContact CB-CB 4.42Å; M16-A21 WeakPolarHBondContact O-CB 3.25Å; M16-A21 PolarHBondContact O-N 2.88Å; A21-Y34 HydrophobicContact CB-CD1 4.11Å; A21-Y34 HydrophobicContact CB-CG 4.48Å; A21-H35 WeakPolarHBondContact CA-O 3.46Å; A21-V36 HydrophobicContact CB-CG1 3.79Å
22R98.1Very high97.3Very high129 Ų12977.2 Ų77.249%0.48744%0.444SS..EExtended strand (participates in β ladder)trans-104.7130.8173.9-64.5-176.2-62.4-124.8-6.3109.9Y34 H35 D37R22-Y34 WeakPolarHBondContact O-CA 3.39Å; R22-H35 PolarHBondContact N-O 2.87Å; R22-H35 PolarHBondContact NH2-NE2 3Å; R22-H35 PolarHBondContact O-N 3.08Å; R22-H35 VanDerWaalsContact O-N 3.07Å; R22-H35 PolarHBondContact O-ND1 3.14Å; R22-D37 IonicContact CZ-OD2 3.56Å; R22-D37 IonicContact NH1-OD2 3.4Å; R22-D37 PolarHBondContact NH1-OD2 2.69Å; R22-D37 VanDerWaalsContact NH2-CG 3.28Å; R22-D37 IonicContact NH2-OD1 2.9Å; R22-D37 PolarHBondContact NH2-OD1 2.68Å; R22-D37 IonicContact NH2-OD2 2.92Å; R22-D37 PolarHBondContact NH2-OD2 3.24Å
23K97.8Very high97.3Very high94 Ų9475.4 Ų75.441%0.40943%0.433SS..EExtended strand (participates in β ladder)trans-79.2126.4172.1-164.7171.2-176.2168.10109.6E9 E33 Y34E9-K23 PolarHBondContact O-NZ 2.9Å; K23-E33 CarbonylContact C-O 3.58Å; K23-E33 WeakPolarHBondContact CA-O 3.38Å; K23-Y34 HydrophobicContact CB-CD1 3.88Å; K23-Y34 HydrophobicContact CB-CE1 3.59Å; K23-Y34 HydrophobicContact CD-CE1 4.29Å; K23-Y34 HydrophobicContact CD-CE2 4.08Å; K23-Y34 HydrophobicContact CG-CD1 4.49Å; K23-Y34 HydrophobicContact CG-CE1 4.16Å; K23-Y34 HydrophobicContact CG-CE2 4.28Å
24T96.9Very high97.3Very high51 Ų5172.7 Ų72.731%0.31341%0.411SS..EExtended strand (participates in β ladder)trans-138.2145.9177.548.30000111.3S32 E33 H35T24-S32 WeakPolarHBondContact O-CA 3.49Å; T24-E33 PolarHBondContact N-O 3.16Å; T24-E33 PolarHBondContact O-N 3.01Å; T24-H35 PolarHBondContact OG1-CE1 3.22Å; T24-H35 PolarHBondContact OG1-ND1 2.91Å; T24-H35 VanDerWaalsContact OG1-ND1 3.13Å
25T96.8Very high97.3Very high82 Ų8270.8 Ų70.850%0.50339%0.391SS..  trans-108.7109.7166.6-57.40000107.2N29 S32T25-N29 WeakPolarHBondContact CG2-O 3.4Å; T25-S32 PolarHBondContact OG1-OG 3.32Å
26M94.1Very high97.3Very high105 Ų10569.4 Ų69.452%0.51738%0.384SS..  trans-68146.4175.1-62-159.6-164.300110G28 N29M26-G28 PolarHBondContact O-N 3.38Å; M26-N29 WeakPolarHBondContact O-CB 3.3Å; M26-N29 PolarHBondContact O-N 2.91Å
27L95.3Very high97.3Very high188 Ų18873.9 Ų73.998%0.98441%0.408SS*.THydrogen-bonded Turntrans-57.1124.7176.5-178.867.4000109.9
28G96.5Very high97.3Very high70 Ų7072.2 Ų72.272%0.72239%0.39SS*.THydrogen-bonded Turntrans98.6-14.1-177.100000114.5M26M26-G28 PolarHBondContact O-N 3.38Å
29N95.3Very high97.3Very high53 Ų5369.1 Ų69.128%0.28338%0.383SS..  trans-90139.5173.2-67.9-4.6000110.9T25 M26 F31T25-N29 WeakPolarHBondContact CG2-O 3.4Å; M26-N29 WeakPolarHBondContact O-CB 3.3Å; M26-N29 PolarHBondContact O-N 2.91Å; N29-F31 VanDerWaalsContact C-N 3.31Å; N29-F31 HydrophobicContact CB-CD1 4.13Å; N29-F31 HydrophobicContact CB-CE1 3.95Å; N29-F31 HydrophobicContact CB-CE2 4.47Å; N29-F31 HydrophobicContact CB-CG 4.47Å; N29-F31 HydrophobicContact CB-CZ 4.13Å; N29-F31 WeakPolarHBondContact ND2-CZ 3.43Å
30N96.5Very high97.3Very high168 Ų16870.4 Ų70.490%0.89839%0.391SS*.SBendtrans-93.69.8171.2-65.6-28.7000112.5
31F95.3Very high97.3Very high98 Ų9874.8 Ų74.843%0.4339%0.39SS..SBendtrans-133.2154.3-178.359.5-89.8000109.7N29 E33N29-F31 VanDerWaalsContact C-N 3.31Å; N29-F31 HydrophobicContact CB-CD1 4.13Å; N29-F31 HydrophobicContact CB-CE1 3.95Å; N29-F31 HydrophobicContact CB-CE2 4.47Å; N29-F31 HydrophobicContact CB-CG 4.47Å; N29-F31 HydrophobicContact CB-CZ 4.13Å; N29-F31 WeakPolarHBondContact ND2-CZ 3.43Å; F31-E33 HydrophobicContact CD2-CG 3.84Å; F31-E33 HydrophobicContact CE2-CG 3.74Å
32S97.2Very high97.3Very high23 Ų2376.9 Ų76.916%0.16140%0.399CS..  trans-102.1147.9174-61.60000111E9 T24 T25E9-S32 PolarHBondContact N-O 3.06Å; T24-S32 WeakPolarHBondContact O-CA 3.49Å; T25-S32 PolarHBondContact OG1-OG 3.32Å
33E97.9Very high97.3Very high47 Ų4771 Ų7122%0.2238%0.377CS..EExtended strand (participates in β ladder)trans-127.6152.3175.3-66.2175100.400110.4N5 G7 K23 T24 F31N5-E33 PolarHBondContact ND2-OE1 3.12Å; G7-E33 CarbonylContact O-C 3.58Å; G7-E33 WeakPolarHBondContact O-CA 3.2Å; K23-E33 CarbonylContact C-O 3.58Å; K23-E33 WeakPolarHBondContact CA-O 3.38Å; T24-E33 PolarHBondContact N-O 3.16Å; T24-E33 PolarHBondContact O-N 3.01Å; F31-E33 HydrophobicContact CD2-CG 3.84Å; F31-E33 HydrophobicContact CE2-CG 3.74Å
34Y98.6Very high97.4Very high33 Ų3368.3 Ų68.313%0.12937%0.367CS..EExtended strand (participates in β ladder)trans-94.7133.1168.1-71.1-87.9000110.2N5 V6 G7 D8 M16 A21 R22 K23N5-Y34 WeakPolarHBondContact CA-O 3.26Å; V6-Y34 PolarHBondContact N-O 2.84Å; G7-Y34 PolarHBondContact O-N 3.48Å; D8-Y34 WeakPolarHBondContact O-CD2 3.47Å; D8-Y34 WeakPolarHBondContact O-CE2 3.4Å; M16-Y34 HydrophobicContact CB-CD1 3.8Å; M16-Y34 HydrophobicContact CB-CE1 3.81Å; M16-Y34 HydrophobicContact CB-CG 4.17Å; M16-Y34 HydrophobicContact CG-CD1 3.85Å; M16-Y34 HydrophobicContact CG-CD2 3.73Å; M16-Y34 HydrophobicContact CG-CE1 3.98Å; M16-Y34 HydrophobicContact CG-CE2 3.86Å; M16-Y34 HydrophobicContact CG-CG 3.72Å; M16-Y34 VanDerWaalsContact SD-CB 3.54Å; M16-Y34 HydrophobicContact SD-CD1 4.19Å; M16-Y34 HydrophobicContact SD-CD2 3.81Å; M16-Y34 HydrophobicContact SD-CG 3.6Å; M16-Y34 VanDerWaalsContact SD-CG 3.6Å; A21-Y34 HydrophobicContact CB-CD1 4.11Å; A21-Y34 HydrophobicContact CB-CG 4.48Å; R22-Y34 WeakPolarHBondContact O-CA 3.39Å; K23-Y34 HydrophobicContact CB-CD1 3.88Å; K23-Y34 HydrophobicContact CB-CE1 3.59Å; K23-Y34 HydrophobicContact CD-CE1 4.29Å; K23-Y34 HydrophobicContact CD-CE2 4.08Å; K23-Y34 HydrophobicContact CG-CD1 4.49Å; K23-Y34 HydrophobicContact CG-CE1 4.16Å; K23-Y34 HydrophobicContact CG-CE2 4.28Å
35H98.2Very high97.5Very high27 Ų2768.7 Ų68.713%0.12537%0.367CS..EExtended strand (participates in β ladder)trans-134.8157173.471.2-88.9000112T4 A21 R22 T24T4-H35 VanDerWaalsContact O-CA 3.29Å; T4-H35 WeakPolarHBondContact O-CA 3.43Å; A21-H35 WeakPolarHBondContact CA-O 3.46Å; R22-H35 PolarHBondContact N-O 2.87Å; R22-H35 PolarHBondContact NH2-NE2 3Å; R22-H35 PolarHBondContact O-N 3.08Å; R22-H35 VanDerWaalsContact O-N 3.07Å; R22-H35 PolarHBondContact O-ND1 3.14Å; T24-H35 PolarHBondContact OG1-CE1 3.22Å; T24-H35 PolarHBondContact OG1-ND1 2.91Å; T24-H35 VanDerWaalsContact OG1-ND1 3.13Å
36V98.5Very high97.5Very high5 Ų567 Ų673%0.0335%0.353CS..EExtended strand (participates in β ladder)trans-122.8153.6168.7-64.10000110.1P3 T4 V6 L19 A21 E38 V43P3-V36 CarbonylContact C-O 3.58Å; P3-V36 WeakPolarHBondContact CA-O 3.34Å; P3-V36 WeakPolarHBondContact CB-O 3.29Å; T4-V36 PolarHBondContact N-O 3.34Å; T4-V36 PolarHBondContact O-N 3.37Å; V6-V36 HydrophobicContact CG1-CG2 4.1Å; V6-V36 HydrophobicContact CG2-CG1 4.48Å; L19-V36 HydrophobicContact CB-CG1 4.37Å; A21-V36 HydrophobicContact CB-CG1 3.79Å; V36-E38 HydrophobicContact CG2-CB 4.13Å; V36-E38 PolarHBondContact O-N 2.7Å; V36-V43 HydrophobicContact CG2-CG2 3.49Å; V36-V43 VanDerWaalsContact CG2-CG2 3.49Å
37D98.3Very high97.7Very high104 Ų10462.9 Ų62.956%0.55633%0.333SS*.SBendtrans-75.5-12.4177.9-62.5-35.1000112.4G2 R22G2-D37 WeakPolarHBondContact CA-O 3.42Å; R22-D37 IonicContact CZ-OD2 3.56Å; R22-D37 IonicContact NH1-OD2 3.4Å; R22-D37 PolarHBondContact NH1-OD2 2.69Å; R22-D37 VanDerWaalsContact NH2-CG 3.28Å; R22-D37 IonicContact NH2-OD1 2.9Å; R22-D37 PolarHBondContact NH2-OD1 2.68Å; R22-D37 IonicContact NH2-OD2 2.92Å; R22-D37 PolarHBondContact NH2-OD2 3.24Å
38E98.3Very high97.9Very high57 Ų5760.5 Ų60.527%0.26632%0.317SS..SBendtrans-74.2148.7-176.9-62.5162.114400112.1T4 V36 L42 V43 K46T4-E38 PolarHBondContact OG1-O 3.35Å; V36-E38 HydrophobicContact CG2-CB 4.13Å; V36-E38 PolarHBondContact O-N 2.7Å; E38-L42 HydrophobicContact CB-CB 4.28Å; E38-L42 HydrophobicContact CB-CD1 4.42Å; E38-L42 HydrophobicContact CG-CD1 4.48Å; E38-V43 HydrophobicContact CB-CG2 4.49Å; E38-K46 IonicContact OE1-NZ 3.9Å; E38-K46 PolarHBondContact OE1-NZ 2.94Å; E38-K46 IonicContact OE2-NZ 2.7Å; E38-K46 PolarHBondContact OE2-NZ 3.21Å
39P98.5Very high97.9Very high40 Ų4064.9 Ų64.926%0.2632%0.316SS..  trans-66.5156171.429.8-36.5000111.8R41 L42 V43P39-R41 PolarHBondContact O-N 3.35Å; P39-R41 VanDerWaalsContact O-N 3.08Å; P39-L42 HydrophobicContact CG-CD1 4.2Å; P39-L42 HydrophobicContact CG-CG 4.17Å; P39-L42 PolarHBondContact O-N 2.84Å; P39-V43 PolarHBondContact O-N 3.34Å
40P98.4Very high98Very high30 Ų3064.6 Ų64.620%0.19531%0.314CS..Hα-helixtrans-58.5-32-174.720.5-33000112.8T4 L42 V43 L44 W66T4-P40 HydrophobicContact CG2-CB 4.17Å; T4-P40 WeakPolarHBondContact OG1-CD 3.23Å; T4-P40 VanDerWaalsContact OG1-N 3.13Å; P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.4Å; P40-V43 WeakPolarHBondContact O-CB 3.34Å; P40-V43 PolarHBondContact O-N 2.88Å; P40-V43 VanDerWaalsContact O-N 3.12Å; P40-L44 VanDerWaalsContact O-CG 3.26Å; P40-L44 WeakPolarHBondContact O-CG 3.39Å; P40-L44 PolarHBondContact O-N 2.87Å; P40-W66 HydrophobicContact CB-CE3 4.27Å; P40-W66 HydrophobicContact CB-CH2 3.84Å; P40-W66 HydrophobicContact CB-CZ2 4.43Å; P40-W66 HydrophobicContact CB-CZ3 3.75Å; P40-W66 HydrophobicContact CG-CH2 3.74Å; P40-W66 HydrophobicContact CG-CZ2 4.48Å; P40-W66 HydrophobicContact CG-CZ3 4.02Å
41R98.5Very high98Very high149 Ų14958.3 Ų58.356%0.56229%0.289SS*.Hα-helixtrans-53.5-46.1175.3-165.7-166.862.865.41.3112.7P39 L44 D45P39-R41 PolarHBondContact O-N 3.35Å; P39-R41 VanDerWaalsContact O-N 3.08Å; R41-L44 PolarHBondContact O-N 3.4Å; R41-D45 IonicContact CZ-OD2 2.88Å; R41-D45 IonicContact NH1-OD1 3.84Å; R41-D45 IonicContact NH1-OD2 2.68Å; R41-D45 PolarHBondContact NH1-OD2 3.39Å; R41-D45 PolarHBondContact O-N 2.96Å; R41-D45 VanDerWaalsContact O-N 3.08Å
42L98.6Very high98.1Very high61 Ų6155.8 Ų55.832%0.31928%0.278SS..Hα-helixtrans-71.4-32.3179.7-71.6-177.6000112.4E38 P39 P40 K46E38-L42 HydrophobicContact CB-CB 4.28Å; E38-L42 HydrophobicContact CB-CD1 4.42Å; E38-L42 HydrophobicContact CG-CD1 4.48Å; P39-L42 HydrophobicContact CG-CD1 4.2Å; P39-L42 HydrophobicContact CG-CG 4.17Å; P39-L42 PolarHBondContact O-N 2.84Å; P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.4Å; L42-K46 WeakPolarHBondContact O-CG 3.33Å; L42-K46 PolarHBondContact O-N 3.1Å; L42-K46 VanDerWaalsContact O-N 3.16Å
43V98.8Very high98.1Very high6 Ų660.3 Ų60.34%0.03629%0.292CS..Hα-helixtrans-66.6-45.7175.2179.90000110.5T4 V6 L19 V36 E38 P39 P40 D45 K46 L47T4-V43 HydrophobicContact CG2-CB 4.48Å; T4-V43 HydrophobicContact CG2-CG2 4.07Å; V6-V43 HydrophobicContact CG1-CG1 3.65Å; V6-V43 HydrophobicContact CG1-CG2 4.28Å; L19-V43 HydrophobicContact CD1-CG1 4.46Å; L19-V43 HydrophobicContact CD2-CG1 4.31Å; V36-V43 HydrophobicContact CG2-CG2 3.49Å; V36-V43 VanDerWaalsContact CG2-CG2 3.49Å; E38-V43 HydrophobicContact CB-CG2 4.49Å; P39-V43 PolarHBondContact O-N 3.34Å; P40-V43 WeakPolarHBondContact O-CB 3.34Å; P40-V43 PolarHBondContact O-N 2.88Å; P40-V43 VanDerWaalsContact O-N 3.12Å; V43-D45 VanDerWaalsContact C-N 3.35Å; V43-D45 PolarHBondContact O-N 2.98Å; V43-K46 WeakPolarHBondContact O-CB 3.42Å; V43-K46 PolarHBondContact O-N 2.92Å; V43-K46 VanDerWaalsContact O-N 3.14Å; V43-L47 HydrophobicContact CG1-CD1 3.94Å; V43-L47 HydrophobicContact CG1-CG 4.34Å; V43-L47 WeakPolarHBondContact O-CG 3.21Å; V43-L47 PolarHBondContact O-N 2.97Å
44L98.7Very high98.1Very high37 Ų3760.8 Ų60.819%0.19430%0.297CS..Hα-helixtrans-60.7-43.6176.7-65.1174.1000111.1P40 R41 K46 L47 E48 V54 W66 L68P40-L44 VanDerWaalsContact O-CG 3.26Å; P40-L44 WeakPolarHBondContact O-CG 3.39Å; P40-L44 PolarHBondContact O-N 2.87Å; R41-L44 PolarHBondContact O-N 3.4Å; L44-K46 VanDerWaalsContact C-N 3.27Å; L44-K46 PolarHBondContact O-N 2.9Å; L44-L47 PolarHBondContact O-N 3.4Å; L44-E48 WeakPolarHBondContact O-CB 3.45Å; L44-E48 PolarHBondContact O-N 2.92Å; L44-V54 HydrophobicContact CD2-CG2 3.92Å; L44-W66 HydrophobicContact CD1-CD2 4.38Å; L44-W66 HydrophobicContact CD1-CG 4.21Å; L44-W66 HydrophobicContact CD2-CB 4.26Å; L44-W66 HydrophobicContact CD2-CG 4.25Å; L44-L68 HydrophobicContact CD2-CD1 4Å; L44-L68 HydrophobicContact CD2-CD2 3.81Å; L44-L68 HydrophobicContact CD2-CG 4.31Å
45D98.6Very high98.1Very high59 Ų5963.4 Ų63.432%0.31631%0.313SS..Hα-helixtrans-58.4-36.5174.5-63.1-11.8000112.3R41 V43 K49R41-D45 IonicContact CZ-OD2 2.88Å; R41-D45 IonicContact NH1-OD1 3.84Å; R41-D45 IonicContact NH1-OD2 2.68Å; R41-D45 PolarHBondContact NH1-OD2 3.39Å; R41-D45 PolarHBondContact O-N 2.96Å; R41-D45 VanDerWaalsContact O-N 3.08Å; V43-D45 VanDerWaalsContact C-N 3.35Å; V43-D45 PolarHBondContact O-N 2.98Å; D45-K49 WeakPolarHBondContact O-CG 3.42Å
46K98.5Very high98.1Very high46 Ų4665.5 Ų65.520%0.233%0.331CS..Hα-helixtrans-72.3-43.8176.3-73.6176.9-176.8175.60111.7Y18 L19 E38 L42 V43 L44 E48 K49Y18-K46 HydrophobicContact CE1-CB 3.97Å; L19-K46 HydrophobicContact CD2-CB 3.77Å; L19-K46 HydrophobicContact CD2-CD 3.95Å; L19-K46 PolarHBondContact O-NZ 2.94Å; E38-K46 IonicContact OE1-NZ 3.9Å; E38-K46 PolarHBondContact OE1-NZ 2.94Å; E38-K46 IonicContact OE2-NZ 2.7Å; E38-K46 PolarHBondContact OE2-NZ 3.21Å; L42-K46 WeakPolarHBondContact O-CG 3.33Å; L42-K46 PolarHBondContact O-N 3.1Å; L42-K46 VanDerWaalsContact O-N 3.16Å; V43-K46 WeakPolarHBondContact O-CB 3.42Å; V43-K46 PolarHBondContact O-N 2.92Å; V43-K46 VanDerWaalsContact O-N 3.14Å; L44-K46 VanDerWaalsContact C-N 3.27Å; L44-K46 PolarHBondContact O-N 2.9Å; K46-E48 VanDerWaalsContact C-N 3.32Å; K46-E48 PolarHBondContact O-N 2.95Å; K46-K49 WeakPolarHBondContact O-CB 3.16Å; K46-K49 PolarHBondContact O-N 3.07Å
47L98.2Very high98.1Very high20 Ų2070.4 Ų70.411%0.10536%0.355CS..Hα-helixtrans-65.5-36.3-179.8-72.8176000111.8I15 L19 V43 L44 K49 I50 G51 F52 L68I15-L47 HydrophobicContact CG2-CD2 4.19Å; L19-L47 HydrophobicContact CD1-CD2 4.14Å; L19-L47 HydrophobicContact CD2-CD2 4.13Å; L19-L47 HydrophobicContact CD2-CG 4.22Å; V43-L47 HydrophobicContact CG1-CD1 3.94Å; V43-L47 HydrophobicContact CG1-CG 4.34Å; V43-L47 WeakPolarHBondContact O-CG 3.21Å; V43-L47 PolarHBondContact O-N 2.97Å; L44-L47 PolarHBondContact O-N 3.4Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-I50 HydrophobicContact CD2-CD1 4.13Å; L47-I50 VanDerWaalsContact O-CG1 3.25Å; L47-I50 WeakPolarHBondContact O-CG1 3.39Å; L47-I50 PolarHBondContact O-N 3Å; L47-G51 PolarHBondContact O-N 3.19Å; L47-F52 HydrophobicContact CB-CB 4.05Å; L47-F52 HydrophobicContact CB-CD2 4.4Å; L47-F52 HydrophobicContact CB-CG 4.48Å; L47-F52 HydrophobicContact CD2-CD2 4.07Å; L47-F52 HydrophobicContact CD2-CE2 4.35Å; L47-F52 PolarHBondContact O-N 3.17Å; L47-L68 HydrophobicContact CB-CD2 4.07Å; L47-L68 HydrophobicContact CD1-CD1 4.48Å; L47-L68 HydrophobicContact CD1-CD2 3.84Å
48E97.8Very high98.1Very high137 Ų13769.1 Ų69.164%0.6435%0.351SS*.Hα-helixtrans-57.1-44.3173-175.8-177.5-152.400111.8L44 K46 I50 G51 F52L44-E48 WeakPolarHBondContact O-CB 3.45Å; L44-E48 PolarHBondContact O-N 2.92Å; K46-E48 VanDerWaalsContact C-N 3.32Å; K46-E48 PolarHBondContact O-N 2.95Å; E48-I50 PolarHBondContact O-N 3.13Å; E48-I50 VanDerWaalsContact O-N 3.09Å; E48-G51 PolarHBondContact O-N 3.46Å; E48-F52 WeakPolarHBondContact CA-O 3.19Å
49K97.4Very high98.1Very high162 Ų16268.8 Ų68.870%0.70436%0.363SS*.Hα-helixtrans-61.6-20.7179.9-69.7173.5-175.9177.60114.5D45 K46 L47D45-K49 WeakPolarHBondContact O-CG 3.42Å; K46-K49 WeakPolarHBondContact O-CB 3.16Å; K46-K49 PolarHBondContact O-N 3.07Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 2.92Å
50I96.3Very high98Very high47 Ų4771.5 Ų71.524%0.24138%0.378CS..THydrogen-bonded Turntrans-109.114.9178.463.9168.1000112.4I15 Y18 L47 E48 F52 K70I15-I50 HydrophobicContact CG1-CD1 4.42Å; I15-I50 HydrophobicContact CG2-CD1 4.05Å; Y18-I50 HydrophobicContact CD1-CD1 4.08Å; Y18-I50 HydrophobicContact CD1-CG2 4.29Å; Y18-I50 HydrophobicContact CE1-CD1 4.24Å; Y18-I50 HydrophobicContact CE1-CG1 4.49Å; Y18-I50 HydrophobicContact CE1-CG2 3.78Å; Y18-I50 HydrophobicContact CE2-CG2 4.4Å; L47-I50 HydrophobicContact CD2-CD1 4.13Å; L47-I50 VanDerWaalsContact O-CG1 3.25Å; L47-I50 WeakPolarHBondContact O-CG1 3.39Å; L47-I50 PolarHBondContact O-N 3Å; E48-I50 PolarHBondContact O-N 3.13Å; E48-I50 VanDerWaalsContact O-N 3.09Å; I50-F52 HydrophobicContact CD1-CD2 4.06Å; I50-F52 HydrophobicContact CD1-CE2 3.84Å; I50-F52 HydrophobicContact CG1-CD2 3.83Å; I50-F52 HydrophobicContact CG1-CE2 4.06Å; I50-K70 VanDerWaalsContact O-CE 3.3Å; I50-K70 WeakPolarHBondContact O-CE 3.26Å
51G96.5Very high98Very high37 Ų3773.6 Ų73.638%0.38141%0.406SS..THydrogen-bonded Turntrans95.911.7167.400000115.9L47 E48 K70 E71L47-G51 PolarHBondContact O-N 3.19Å; E48-G51 PolarHBondContact O-N 3.46Å; G51-K70 WeakPolarHBondContact O-CA 3.48Å; G51-E71 PolarHBondContact O-N 2.85Å
52F97.8Very high97.9Very high44 Ų4476.1 Ų76.119%0.19342%0.423CS..EExtended strand (participates in β ladder)trans-85.3136.2173.6-70.8-94.4000111.5I15 L47 E48 I50 L68 H69 K70I15-F52 HydrophobicContact CD1-CE2 3.97Å; I15-F52 HydrophobicContact CD1-CZ 3.87Å; L47-F52 HydrophobicContact CB-CB 4.05Å; L47-F52 HydrophobicContact CB-CD2 4.4Å; L47-F52 HydrophobicContact CB-CG 4.48Å; L47-F52 HydrophobicContact CD2-CD2 4.07Å; L47-F52 HydrophobicContact CD2-CE2 4.35Å; L47-F52 PolarHBondContact O-N 3.17Å; E48-F52 WeakPolarHBondContact CA-O 3.19Å; I50-F52 HydrophobicContact CD1-CD2 4.06Å; I50-F52 HydrophobicContact CD1-CE2 3.84Å; I50-F52 HydrophobicContact CG1-CD2 3.83Å; I50-F52 HydrophobicContact CG1-CE2 4.06Å; F52-L68 HydrophobicContact CB-CB 4.26Å; F52-L68 HydrophobicContact CB-CD2 3.87Å; F52-L68 HydrophobicContact CD1-CB 4.14Å; F52-H69 WeakPolarHBondContact CA-O 3.38Å; F52-K70 HydrophobicContact CD1-CB 3.82Å; F52-K70 HydrophobicContact CD2-CB 4.48Å; F52-K70 HydrophobicContact CE1-CB 3.71Å; F52-K70 HydrophobicContact CE2-CB 4.38Å; F52-K70 HydrophobicContact CE2-CD 4.19Å; F52-K70 HydrophobicContact CG-CB 4.22Å; F52-K70 HydrophobicContact CZ-CB 4Å; F52-K70 HydrophobicContact CZ-CD 4.24Å
53R97.7Very high97.8Very high119 Ų11977.4 Ų77.445%0.44943%0.434SS..EExtended strand (participates in β ladder)trans-113.7140.4170.3-171.8175.462.379.2-5.1110.6L55 L68 H69 E71R53-L55 VanDerWaalsContact NH2-CD2 3.31Å; R53-L55 PolarHBondContact O-N 2.82Å; R53-L68 CarbonylContact O-C 3.51Å; R53-L68 VanDerWaalsContact O-CA 3.24Å; R53-L68 WeakPolarHBondContact O-CA 3.36Å; R53-H69 PolarHBondContact N-O 3Å; R53-H69 PolarHBondContact O-N 2.73Å; R53-E71 IonicContact CZ-OE1 3.23Å; R53-E71 VanDerWaalsContact CZ-OE1 3.23Å; R53-E71 IonicContact NE-OE1 2.69Å; R53-E71 PolarHBondContact NE-OE1 3.24Å; R53-E71 IonicContact NH2-OE1 2.68Å; R53-E71 PolarHBondContact NH2-OE1 3.2Å
54V98Very high97.8Very high56 Ų5682 Ų8234%0.33946%0.458SS..EExtended strand (participates in β ladder)trans-67.3122.1169.5179.50000109.2L44 L68L44-V54 HydrophobicContact CD2-CG2 3.92Å; V54-L68 HydrophobicContact CG2-CD2 4.18Å; V54-L68 HydrophobicContact CG2-CG 4.16Å
55L98Very high97.8Very high89 Ų8983.5 Ų83.547%0.46647%0.469SS..EExtended strand (participates in β ladder)trans-90.5-41.1172.2-65.1-169.3000111.6R53 C67 H69R53-L55 VanDerWaalsContact NH2-CD2 3.31Å; R53-L55 PolarHBondContact O-N 2.82Å; L55-C67 PolarHBondContact N-O 3.3Å; L55-H69 HydrophobicContact CD1-CB 3.49Å; L55-H69 VanDerWaalsContact CD1-CB 3.49Å; L55-H69 HydrophobicContact CD2-CB 4.1Å; L55-H69 HydrophobicContact CG-CB 3.71Å
56S98.3Very high97.8Very high70 Ų7084 Ų8449%0.4947%0.466SS..EExtended strand (participates in β ladder)trans-155.8158.1-176.5-173.40000111.4C67S56-C67 PolarHBondContact N-O 3.2Å; S56-C67 PolarHBondContact O-N 2.93Å
57M98.5Very high97.8Very high109 Ų10985.1 Ų85.154%0.53748%0.479SS..EExtended strand (participates in β ladder)trans-134.7136.6172.8-180-163.571.500108.5V65 W66M57-V65 WeakPolarHBondContact CA-O 3.44Å; M57-W66 HydrophobicContact CG-CD2 4.32Å; M57-W66 HydrophobicContact CG-CG 4.35Å; M57-W66 HydrophobicContact CG-CZ2 4.29Å; M57-W66 HydrophobicContact SD-CZ2 3.95Å
58T98.3Very high97.8Very high77 Ų7786.3 Ų86.347%0.47249%0.485SS..EExtended strand (participates in β ladder)trans-141.6159.1175.6-168.10000111.8V60 V65T58-V60 HydrophobicContact CG2-CG2 4.41Å; T58-V65 HydrophobicContact CG2-CB 4.27Å; T58-V65 PolarHBondContact N-O 2.85Å; T58-V65 PolarHBondContact O-N 2.96Å
59G98.3Very high97.8Very high50 Ų5084.1 Ų84.152%0.51548%0.475SS..EExtended strand (participates in β ladder)trans-108.5135.6170.900000110.9T63G59-T63 CarbonylContact C-O 3.56Å; G59-T63 WeakPolarHBondContact CA-O 3.4Å
60V97.6Very high97.7Very high96 Ų9681.7 Ų81.758%0.58246%0.464SS*.EExtended strand (participates in β ladder)trans-132.5109.1174.7-178.20000108.4T58 Q62 T63T58-V60 HydrophobicContact CG2-CG2 4.41Å; V60-Q62 PolarHBondContact O-N 3.45Å; V60-T63 PolarHBondContact N-O 2.94Å; V60-T63 WeakPolarHBondContact O-CB 3.48Å; V60-T63 PolarHBondContact O-N 3.37Å
61G97.1Very high97.1Very high75 Ų7584.5 Ų84.577%0.77348%0.476SS*.THydrogen-bonded Turntrans63.6-117.8-173.400000111.4
62Q96.8Very high96Very high201 Ų20188.5 Ų88.594%0.93949%0.494SS*.THydrogen-bonded Turntrans-101.49175.3-60.9-61.2-57.900112.7V60V60-Q62 PolarHBondContact O-N 3.45Å
63T97.1Very high93.9Very high88 Ų8899.2 Ų99.254%0.5454%0.544SS..EExtended strand (participates in β ladder)trans-106.4135.1-175.6-54.50000110.5G59 V60 V65G59-T63 CarbonylContact C-O 3.56Å; G59-T63 WeakPolarHBondContact CA-O 3.4Å; V60-T63 PolarHBondContact N-O 2.94Å; V60-T63 WeakPolarHBondContact O-CB 3.48Å; V60-T63 PolarHBondContact O-N 3.37Å; T63-V65 HydrophobicContact CG2-CG2 4.17Å
64L98.3Very high93.7Very high103 Ų10398.2 Ų98.254%0.53955%0.549SS..EExtended strand (participates in β ladder)trans-100.6136.9167.6-69.6171.8000109.7W66L64-W66 HydrophobicContact CB-CE3 4.44Å; L64-W66 HydrophobicContact CB-CH2 3.46Å; L64-W66 VanDerWaalsContact CB-CH2 3.46Å; L64-W66 HydrophobicContact CB-CZ2 4.3Å; L64-W66 HydrophobicContact CB-CZ3 3.54Å; L64-W66 HydrophobicContact CD1-CH2 3.85Å; L64-W66 HydrophobicContact CD1-CZ2 4.41Å; L64-W66 HydrophobicContact CG-CH2 4.29Å
65V98.5Very high93.5Very high69 Ų69100.4 Ų100.442%0.41856%0.56SS.*EExtended strand (participates in β ladder)trans-126.5133.1-178.3-176.80000109.5M57 T58 T63M57-V65 WeakPolarHBondContact CA-O 3.44Å; T58-V65 HydrophobicContact CG2-CB 4.27Å; T58-V65 PolarHBondContact N-O 2.85Å; T58-V65 PolarHBondContact O-N 2.96Å; T63-V65 HydrophobicContact CG2-CG2 4.17Å
66W98.7Very high93.2Very high69 Ų69101.1 Ų101.126%0.26157%0.565SS.*EExtended strand (participates in β ladder)trans-111.1126.9171.9-69.6-96.2000109.3P40 L44 M57 L64 L68P40-W66 HydrophobicContact CB-CE3 4.27Å; P40-W66 HydrophobicContact CB-CH2 3.84Å; P40-W66 HydrophobicContact CB-CZ2 4.43Å; P40-W66 HydrophobicContact CB-CZ3 3.75Å; P40-W66 HydrophobicContact CG-CH2 3.74Å; P40-W66 HydrophobicContact CG-CZ2 4.48Å; P40-W66 HydrophobicContact CG-CZ3 4.02Å; L44-W66 HydrophobicContact CD1-CD2 4.38Å; L44-W66 HydrophobicContact CD1-CG 4.21Å; L44-W66 HydrophobicContact CD2-CB 4.26Å; L44-W66 HydrophobicContact CD2-CG 4.25Å; M57-W66 HydrophobicContact CG-CD2 4.32Å; M57-W66 HydrophobicContact CG-CG 4.35Å; M57-W66 HydrophobicContact CG-CZ2 4.29Å; M57-W66 HydrophobicContact SD-CZ2 3.95Å; L64-W66 HydrophobicContact CB-CE3 4.44Å; L64-W66 HydrophobicContact CB-CH2 3.46Å; L64-W66 VanDerWaalsContact CB-CH2 3.46Å; L64-W66 HydrophobicContact CB-CZ2 4.3Å; L64-W66 HydrophobicContact CB-CZ3 3.54Å; L64-W66 HydrophobicContact CD1-CH2 3.85Å; L64-W66 HydrophobicContact CD1-CZ2 4.41Å; L64-W66 HydrophobicContact CG-CH2 4.29Å; W66-L68 HydrophobicContact CB-CD1 3.85Å
67C98.4Very high92.9Very high69 Ų69102.9 Ų102.947%0.46657%0.569SS.*EExtended strand (participates in β ladder)trans-96.1120.9169.4-178.60000108.1L55 S56L55-C67 PolarHBondContact N-O 3.3Å; S56-C67 PolarHBondContact N-O 3.2Å; S56-C67 PolarHBondContact O-N 2.93Å
68L98.4Very high92.6Very high46 Ų46102.5 Ų102.524%0.24157%0.571CS.*EExtended strand (participates in β ladder)trans-115.8151.4178.4-6391.1000110.3L44 L47 F52 R53 V54 W66L44-L68 HydrophobicContact CD2-CD1 4Å; L44-L68 HydrophobicContact CD2-CD2 3.81Å; L44-L68 HydrophobicContact CD2-CG 4.31Å; L47-L68 HydrophobicContact CB-CD2 4.07Å; L47-L68 HydrophobicContact CD1-CD1 4.48Å; L47-L68 HydrophobicContact CD1-CD2 3.84Å; F52-L68 HydrophobicContact CB-CB 4.26Å; F52-L68 HydrophobicContact CB-CD2 3.87Å; F52-L68 HydrophobicContact CD1-CB 4.14Å; R53-L68 CarbonylContact O-C 3.51Å; R53-L68 VanDerWaalsContact O-CA 3.24Å; R53-L68 WeakPolarHBondContact O-CA 3.36Å; V54-L68 HydrophobicContact CG2-CD2 4.18Å; V54-L68 HydrophobicContact CG2-CG 4.16Å; W66-L68 HydrophobicContact CB-CD1 3.85Å
69H97.7Very high92.2Very high91 Ų91104.2 Ų104.242%0.42158%0.578SS.*EExtended strand (participates in β ladder)trans-130.9134.6171.4176.567000109F52 R53 L55 E71F52-H69 WeakPolarHBondContact CA-O 3.38Å; R53-H69 PolarHBondContact N-O 3Å; R53-H69 PolarHBondContact O-N 2.73Å; L55-H69 HydrophobicContact CD1-CB 3.49Å; L55-H69 VanDerWaalsContact CD1-CB 3.49Å; L55-H69 HydrophobicContact CD2-CB 4.1Å; L55-H69 HydrophobicContact CG-CB 3.71Å; H69-E71 PolarHBondContact O-N 3.21Å
70K94.5Very high91.8Very high111 Ų111108.1 Ų108.148%0.48358%0.583SS.*EExtended strand (participates in β ladder)trans-80.8108.5168.4-174170.2-176.2174.10107.2I50 G51 F52 T72I50-K70 VanDerWaalsContact O-CE 3.3Å; I50-K70 WeakPolarHBondContact O-CE 3.26Å; G51-K70 WeakPolarHBondContact O-CA 3.48Å; F52-K70 HydrophobicContact CD1-CB 3.82Å; F52-K70 HydrophobicContact CD2-CB 4.48Å; F52-K70 HydrophobicContact CE1-CB 3.71Å; F52-K70 HydrophobicContact CE2-CB 4.38Å; F52-K70 HydrophobicContact CE2-CD 4.19Å; F52-K70 HydrophobicContact CG-CB 4.22Å; F52-K70 HydrophobicContact CZ-CB 4Å; F52-K70 HydrophobicContact CZ-CD 4.24Å; K70-T72 PolarHBondContact O-N 2.99Å
71E83.8Confident91.3Very high105 Ų105109 Ų10949%0.49158%0.583SS.*  trans-63.5113174.7-67.6-175.9162.400107.2G51 R53 H69G51-E71 PolarHBondContact O-N 2.85Å; R53-E71 IonicContact CZ-OE1 3.23Å; R53-E71 VanDerWaalsContact CZ-OE1 3.23Å; R53-E71 IonicContact NE-OE1 2.69Å; R53-E71 PolarHBondContact NE-OE1 3.24Å; R53-E71 IonicContact NH2-OE1 2.68Å; R53-E71 PolarHBondContact NH2-OE1 3.2Å; H69-E71 PolarHBondContact O-N 3.21Å
72T74.6Confident90.9Very high122 Ų122111.8 Ų111.875%0.74857%0.567SS**  trans-65.4133.3162.128.20000107.8K70K70-T72 PolarHBondContact O-N 2.99Å
73E53.5Low90.3Very high268 Ų268103.7 Ų103.7100%1.25253%0.533SS*.  trans-52.10157.9-77-174.1156.600110.9

Retrieved 73 of 73 residues in 21.5 ms (Link to these results)

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