Assignment 5 LGA Results
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From: AS2TS automatic reply <mailer@bialko.llnl.gov> Date: December 5, 2006 11:11:04 PM EST (CA) To: boris.steipe@utoronto.ca Subject: LGA Results: 1DUX.1MB1 # Date: 12/05/06 20:11:01 Sender: boris.steipe@utoronto.ca Molecules: 1DUX.1MB1 # Thank you for using AS2TS and LGA servers: http://as2ts.llnl.gov/ ####################################################### # # # LGA # # --------------- # # # # Local-Global Alignment # # A Method for Finding 3-D Similarities # # in Protein Structures # # # # --------------- 08/2006 # # # # Adam Zemla (adamz@llnl.gov) # # Lawrence Livermore National Laboratory, CA # # # ####################################################### # Molecule1: number of CA atoms 86 ( 1275), selected 86 , name 1DUX # Molecule2: number of CA atoms 98 ( 850), selected 98 , name 1MB1 # PARAMETERS: -4 -sia -o2 -d:5.0 mol2_1151 # Search for Atom-Atom correspondence # Structure alignment analysis # Molecule1 Molecule2 DISTANCE LGA V 5_C - - - LGA T 6_C - - - LGA L 7_C - - - LGA W 8_C - - - LGA Q 9_C - - - LGA F 10_C - - - LGA L 11_C - - - LGA L 12_C - - - LGA Q 13_C - - - LGA L 14_C - - - LGA L 15_C - - - LGA R 16_C - - - LGA E 17_C - - - LGA Q 18_C N 3 # LGA G 19_C Q 4 4.420 LGA N 20_C I 5 2.715 LGA - - Y 6 - LGA - - S 7 - LGA - - A 8 - LGA - - R 9 - LGA - - Y 10 - LGA - - S 11 - LGA - - G 12 - LGA - - V 13 - LGA - - D 14 - LGA - - V 15 - LGA - - Y 16 - LGA - - E 17 - LGA G 21_C F 18 1.755 LGA H 22_C I 19 1.723 LGA - - H 20 - LGA - - S 21 - LGA - - T 22 - LGA - - G 23 - LGA I 23_C S 24 2.663 LGA I 24_C I 25 0.802 LGA S 25_C M 26 1.308 LGA W 26_C K 27 1.266 LGA T 27_C R 28 3.501 LGA S 28_C K 29 4.274 LGA R 29_C K 30 4.896 LGA D 30_C D 31 0.950 LGA G 31_C D 32 # LGA G 32_C W 33 1.327 LGA E 33_C V 34 4.568 LGA F 34_C N 35 2.819 LGA K 35_C A 36 # LGA - - T 37 - LGA L 36_C H 38 2.563 LGA V 37_C I 39 - LGA D 38_C L 40 - LGA A 39_C - - - LGA E 40_C - - - LGA E 41_C K 41 4.755 LGA V 42_C A 42 1.452 LGA A 43_C A 43 3.719 LGA R 44_C N 44 1.222 LGA L 45_C - - - LGA W 46_C - - - LGA G 47_C - - - LGA L 48_C - - - LGA R 49_C - - - LGA K 50_C - - - LGA N 51_C - - - LGA K 52_C - - - LGA T 53_C - - - LGA N 54_C - - - LGA M 55_C F 45 3.026 LGA N 56_C A 46 1.417 LGA Y 57_C K 47 2.882 LGA D 58_C A 48 2.502 LGA K 59_C K 49 0.740 LGA L 60_C R 50 1.725 LGA S 61_C T 51 2.878 LGA R 62_C R 52 2.278 LGA A 63_C I 53 0.711 LGA L 64_C L 54 1.289 LGA R 65_C E 55 2.173 LGA Y 66_C K 56 1.877 LGA Y 67_C E 57 3.399 LGA Y 68_C V 58 5.001 LGA D 69_C L 59 4.335 LGA K 70_C K 60 1.427 LGA N 71_C E 61 1.834 LGA I 72_C T 62 3.697 LGA I 73_C H 63 3.206 LGA R 74_C E 64 3.288 LGA K 75_C K 65 1.012 LGA V 76_C V 66 1.616 LGA S 77_C Q 67 2.773 LGA G 78_C G 68 2.085 LGA Q 79_C G 69 3.764 LGA - - F 70 - LGA - - G 71 - LGA - - K 72 - LGA K 80_C Y 73 5.292 LGA F 81_C Q 74 3.173 LGA V 82_C G 75 2.879 LGA Y 83_C T 76 2.145 LGA K 84_C W 77 1.693 LGA F 85_C V 78 0.956 LGA V 86_C - - - LGA S 87_C - - - LGA Y 88_C P 79 3.763 LGA P 89_C L 80 1.598 LGA E 90_C N 81 3.628 LGA - - I 82 - LGA - - A 83 - LGA - - K 84 - LGA - - Q 85 - LGA - - L 86 - LGA - - A 87 - LGA - - E 88 - LGA - - K 89 - LGA - - F 90 - LGA - - S 91 - LGA - - V 92 - LGA - - Y 93 - LGA - - D 94 - LGA - - Q 95 - LGA - - L 96 - LGA - - K 97 - LGA - - P 98 - LGA - - L 99 - LGA - - F 100 - # N1 N2 DIST N RMSD Seq_Id LGA_S LGA_Q SUMMARY(LGA) 86 98 5.0 54 2.85 18.52 33.150 1.828 Unitary ROTATION matrix and the shift VECTOR superimpose MOLECULES (1=>2) X_new = -0.244634 * X + -0.831273 * Y + -0.499139 * Z + 53.596428 Y_new = 0.578587 * X + 0.287936 * Y + -0.763105 * Z + 32.173584 Z_new = 0.778068 * X + -0.475477 * Y + 0.410525 * Z + 88.684303 Euler angles from the ROTATION matrix (XYZ convention, two solutions) Psi = -0.858577 2.283016 [ DEG: -49.1928 130.8072 ] Theta = -0.891585 -2.250007 [ DEG: -51.0841 -128.9159 ] Phi = 1.970813 -1.170780 [ DEG: 112.9193 -67.0807 ] # END of job
