
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.30     1.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.30     1.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       5_B - 83_B        0.86     1.34
  LCS_AVERAGE:     96.14

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     3_B     G     3_B      4   81   81      3    4    6   12   28   43   75   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B     63   81   81      3    4    5    8   17   38   65   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     79   81   81     35   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K     6_B     K     6_B     79   81   81     19   62   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     7_B     V     7_B     79   81   81     35   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T     8_B     T     8_B     79   81   81     39   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     9_B     V     9_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    10_B     V    10_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    11_B     L    11_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    12_B     Y    12_B     79   81   81     38   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    13_B     V    13_B     79   81   81     35   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    14_B     N    14_B     79   81   81     31   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    15_B     G    15_B     79   81   81     31   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    16_B     D    16_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    17_B     E    17_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    18_B     V    18_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    19_B     A    19_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    20_B     L    20_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    21_B     V    21_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     H    22_B     H    22_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    23_B     A    23_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    24_B     F    24_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M    25_B     M    25_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    26_B     T    26_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    27_B     T    27_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    28_B     A    28_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    29_B     S    29_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    30_B     L    30_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    31_B     L    31_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    32_B     A    32_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    33_B     K    33_B     79   81   81     35   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    34_B     E    34_B     79   81   81     39   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    35_B     G    35_B     79   81   81      5   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    36_B     K    36_B     79   81   81      9   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    37_B     L    37_B     79   81   81     10   58   72   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    38_B     V    38_B     79   81   81      9   60   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    39_B     E    39_B     79   81   81     10   62   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    40_B     K    40_B     79   81   81     22   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    41_B     L    41_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    42_B     I    42_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    43_B     L    43_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    44_B     T    44_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    45_B     S    45_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    46_B     N    46_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    47_B     F    47_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    48_B     T    48_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    49_B     E    49_B     79   81   81     27   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    50_B     R    50_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    51_B     T    51_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    52_B     V    52_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    53_B     R    53_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    54_B     R    54_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    55_B     A    55_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    56_B     F    56_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    57_B     D    57_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    58_B     L    58_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    59_B     V    59_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    60_B     R    60_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    61_B     E    61_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    62_B     L    62_B     79   81   81     21   63   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    63_B     L    63_B     79   81   81     16   60   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     P    64_B     P    64_B     79   81   81     21   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    65_B     A    65_B     79   81   81     13   57   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    66_B     K    66_B     79   81   81     16   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    67_B     A    67_B     79   81   81     15   60   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    68_B     E    68_B     79   81   81     22   57   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    69_B     I    69_B     79   81   81     22   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    70_B     I    70_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    71_B     D    71_B     79   81   81     41   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    72_B     A    72_B     79   81   81     21   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    73_B     L    73_B     79   81   81     31   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    74_B     R    74_B     79   81   81     30   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    75_B     E    75_B     79   81   81     30   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    76_B     E    76_B     79   81   81     21   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    77_B     A    77_B     79   81   81     21   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    78_B     E    78_B     79   81   81     21   64   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    79_B     K    79_B     79   81   81     19   57   74   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    80_B     Y    80_B     79   81   81      5   40   67   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    81_B     F    81_B     79   81   81      5   40   69   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    82_B     A    82_B     79   81   81      5   34   67   78   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    83_B     E    83_B     79   81   81      3   11   53   70   79   79   79   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_AVERAGE  LCS_A:  98.71  (  96.14  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     41     64     74     78     79     79     79     81     81     81     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  50.62  79.01  91.36  96.30  97.53  97.53  97.53 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.53   0.69   0.80   0.86   0.86   0.86   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30
GDT RMS_ALL_AT   1.41   1.36   1.36   1.35   1.34   1.34   1.34   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  E    39_B      E    39_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    80_B      Y    80_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     5.877     0    0.443   0.443     6.927   29.048   29.048
LGA    M     4_B      M     4_B     6.000     0    0.040   1.012    15.474   26.786   13.988
LGA    E     5_B      E     5_B     0.613     0    0.357   1.120     7.957   81.786   54.444
LGA    K     6_B      K     6_B     0.854     0    0.024   0.465     2.297   90.476   81.693
LGA    V     7_B      V     7_B     0.550     0    0.027   0.112     1.007   88.214   90.544
LGA    T     8_B      T     8_B     0.504     0    0.024   0.050     0.661   92.857   94.558
LGA    V     9_B      V     9_B     0.811     0    0.015   0.117     1.363   90.476   87.891
LGA    V    10_B      V    10_B     0.554     0    0.078   0.083     0.790   92.857   93.197
LGA    L    11_B      L    11_B     0.143     0    0.047   1.030     3.321  100.000   85.774
LGA    Y    12_B      Y    12_B     0.496     0    0.045   1.347     8.893  100.000   59.206
LGA    V    13_B      V    13_B     0.485     0    0.041   0.233     1.047   97.619   93.265
LGA    N    14_B      N    14_B     0.464     0    0.059   0.304     2.023  100.000   88.690
LGA    G    15_B      G    15_B     0.579     0    0.085   0.085     0.995   90.476   90.476
LGA    D    16_B      D    16_B     0.045     0    0.043   0.331     0.970  100.000   98.810
LGA    E    17_B      E    17_B     0.527     0    0.047   0.236     1.947   92.857   85.661
LGA    V    18_B      V    18_B     0.564     0    0.057   0.881     2.490   90.476   83.129
LGA    A    19_B      A    19_B     0.194     0    0.101   0.107     0.490  100.000  100.000
LGA    L    20_B      L    20_B     0.275     0    0.021   0.206     0.859  100.000   98.810
LGA    V    21_B      V    21_B     0.280     0    0.058   1.067     2.538  100.000   88.844
LGA    H    22_B      H    22_B     0.105     0    0.028   0.464     1.043  100.000   95.286
LGA    A    23_B      A    23_B     0.410     0    0.008   0.008     0.560  100.000   98.095
LGA    F    24_B      F    24_B     0.543     0    0.023   0.210     0.983   90.476   92.208
LGA    M    25_B      M    25_B     0.428     0    0.005   0.484     1.567  100.000   95.417
LGA    T    26_B      T    26_B     0.231     0    0.021   0.190     0.737  100.000   97.279
LGA    T    27_B      T    27_B     0.630     0    0.007   0.134     1.288   92.857   90.544
LGA    A    28_B      A    28_B     0.617     0    0.023   0.023     0.692   92.857   92.381
LGA    S    29_B      S    29_B     0.263     0    0.025   0.062     0.384  100.000  100.000
LGA    L    30_B      L    30_B     0.439     0    0.006   1.217     3.291   97.619   85.774
LGA    L    31_B      L    31_B     0.633     0    0.073   1.095     2.646   90.476   84.107
LGA    A    32_B      A    32_B     0.402     0    0.017   0.018     0.508   97.619   98.095
LGA    K    33_B      K    33_B     0.723     0    0.021   0.859     3.984   90.595   78.783
LGA    E    34_B      E    34_B     0.813     0    0.046   0.232     1.897   88.214   86.508
LGA    G    35_B      G    35_B     1.037     0    0.048   0.048     1.037   88.214   88.214
LGA    K    36_B      K    36_B     1.165     0    0.023   0.265     1.503   79.286   82.487
LGA    L    37_B      L    37_B     1.493     0    0.013   0.357     2.904   83.690   74.286
LGA    V    38_B      V    38_B     1.208     0    0.044   0.052     1.413   81.429   82.721
LGA    E    39_B      E    39_B     1.172     0    0.037   0.631     1.676   85.952   82.487
LGA    K    40_B      K    40_B     0.861     0    0.029   0.206     1.160   90.476   89.471
LGA    L    41_B      L    41_B     0.652     0    0.027   0.906     2.891   90.476   85.179
LGA    I    42_B      I    42_B     0.427     0    0.044   0.061     0.491  100.000  100.000
LGA    L    43_B      L    43_B     0.502     0    0.037   0.842     3.254   97.619   85.655
LGA    T    44_B      T    44_B     0.497     0    0.412   0.941     2.824   86.905   81.156
LGA    S    45_B      S    45_B     0.265     0    0.036   0.768     2.540   97.619   91.270
LGA    N    46_B      N    46_B     0.624     0    0.077   1.084     2.441   88.214   82.917
LGA    F    47_B      F    47_B     0.617     0    0.071   0.372     1.758   95.238   85.758
LGA    T    48_B      T    48_B     0.582     0    0.010   0.215     0.735   90.476   93.197
LGA    E    49_B      E    49_B     0.647     0    0.014   0.808     4.875   90.476   70.794
LGA    R    50_B      R    50_B     0.471     0    0.018   1.065     3.471   97.619   78.788
LGA    T    51_B      T    51_B     0.312     0    0.048   0.047     0.410  100.000  100.000
LGA    V    52_B      V    52_B     0.084     0    0.011   0.133     0.519  100.000   98.639
LGA    R    53_B      R    53_B     0.355     0    0.008   1.182     6.179   95.238   72.900
LGA    R    54_B      R    54_B     0.815     0    0.001   1.621     6.301   90.476   62.208
LGA    A    55_B      A    55_B     0.409     0    0.026   0.029     0.663   95.238   96.190
LGA    F    56_B      F    56_B     0.508     0    0.046   0.119     0.683   92.857   94.805
LGA    D    57_B      D    57_B     0.660     0    0.024   0.295     1.297   90.476   88.214
LGA    L    58_B      L    58_B     0.434     0    0.061   1.136     2.526   97.619   86.667
LGA    V    59_B      V    59_B     0.319     0    0.023   0.231     0.665  100.000   97.279
LGA    R    60_B      R    60_B     0.764     0    0.004   1.453     6.673   90.476   68.268
LGA    E    61_B      E    61_B     0.974     0    0.018   0.971     3.138   85.952   74.550
LGA    L    62_B      L    62_B     1.410     0    0.038   0.104     1.748   79.286   76.071
LGA    L    63_B      L    63_B     1.555     0    0.042   1.324     3.148   77.143   74.345
LGA    P    64_B      P    64_B     1.331     0    0.032   0.239     2.018   81.429   79.048
LGA    A    65_B      A    65_B     1.684     0    0.017   0.016     1.775   72.857   72.857
LGA    K    66_B      K    66_B     1.344     0    0.069   0.606     1.916   81.429   81.481
LGA    A    67_B      A    67_B     1.565     0    0.007   0.007     1.821   75.000   74.571
LGA    E    68_B      E    68_B     1.780     0    0.012   1.278     7.670   72.857   47.249
LGA    I    69_B      I    69_B     1.188     0    0.073   0.171     1.397   81.429   84.821
LGA    I    70_B      I    70_B     0.845     0    0.015   0.670     1.666   88.214   87.143
LGA    D    71_B      D    71_B     0.746     0    0.021   0.390     1.202   90.476   87.083
LGA    A    72_B      A    72_B     1.013     0    0.003   0.010     1.258   88.214   86.857
LGA    L    73_B      L    73_B     0.721     0    0.059   0.067     0.791   90.476   90.476
LGA    R    74_B      R    74_B     0.677     0    0.037   0.309     2.853   90.476   81.169
LGA    E    75_B      E    75_B     0.703     0    0.092   0.557     2.657   88.214   82.751
LGA    E    76_B      E    76_B     0.923     0    0.058   0.288     1.505   90.476   84.497
LGA    A    77_B      A    77_B     0.823     0    0.007   0.007     0.872   90.476   90.476
LGA    E    78_B      E    78_B     0.739     0    0.024   0.710     2.839   85.952   76.190
LGA    K    79_B      K    79_B     1.415     0    0.003   0.666     1.894   77.143   79.630
LGA    Y    80_B      Y    80_B     1.920     0    0.044   0.100     2.200   70.833   68.135
LGA    F    81_B      F    81_B     1.687     0    0.017   0.201     1.962   72.857   79.221
LGA    A    82_B      A    82_B     1.999     0    0.054   0.058     2.610   66.905   68.095
LGA    E    83_B      E    83_B     2.750     0    0.393   1.260     5.870   46.667   40.635

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):     1.301          1.301                  2.047           88.216   82.709

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     81    1.30    93.827    96.984     5.783

LGA_LOCAL      RMSD:   1.301  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.301  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   1.301  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.620834 * X  +   0.704744 * Y  +   0.343368 * Z  +  28.219601
  Y_new =  -0.777968 * X  +   0.607830 * Y  +   0.159086 * Z  +   7.828707
  Z_new =  -0.096595 * X  +  -0.365895 * Y  +   0.925630 * Z  +  -9.439948 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.897264  0.096746 -0.376442   [DEG:  -51.4094    5.5431  -21.5685 ]
ZXZ:  2.004663  0.388100 -2.883486   [DEG:  114.8588   22.2365 -165.2115 ]
 
# END of job
