
#######################################################
#                                                     #
#                        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  107 (  868),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       1_A - 54_A        0.70     1.44
  LONGEST_CONTINUOUS_SEGMENT:    54       2_A - 55_A        0.97     1.40
  LCS_AVERAGE:     50.19

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     54   90   90      4   16   77   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     54   90   90     54   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     54   90   90     58   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     54   90   90     19   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     54   90   90     30   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     54   90   90     33   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     54   90   90     29   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     54   90   90     61   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     54   90   90     57   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     54   90   90     40   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     54   90   90     61   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     54   90   90     61   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     54   90   90     61   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     54   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     54   90   90     12   69   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     54   90   90     23   78   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     54   90   90      7   57   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     54   90   90     57   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     54   90   90      3    3   12   23   40   72   85   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      3   90   90      0    3    4    5    9   13   15   39   61   82   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      1    3    4   27   62   82   86   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   33   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    5   58   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     43   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     34   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     62   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     63   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     28   79   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90     10   75   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  83.40  (  50.19  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     63     79     83     85     86     87     87     89     89     89     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  70.00  87.78  92.22  94.44  95.56  96.67  96.67  98.89  98.89  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.43   0.52   0.61   0.67   0.74   0.74   1.11   1.11   1.11   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38
GDT RMS_ALL_AT   1.46   1.47   1.44   1.43   1.43   1.44   1.44   1.39   1.39   1.39   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     2.773     0    0.230   1.007     4.605   61.190   54.405
LGA    L     2_A      L     2_A     0.843     0    0.074   1.138     2.710   88.214   81.071
LGA    F     3_A      F     3_A     0.630     0    0.077   0.100     1.152   88.214   87.186
LGA    E     4_A      E     4_A     0.344     0    0.104   0.301     1.219   95.238   95.820
LGA    G     5_A      G     5_A     1.083     0    0.049   0.049     1.217   83.690   83.690
LGA    D     6_A      D     6_A     1.488     0    0.039   0.876     4.393   81.429   66.964
LGA    K     7_A      K     7_A     1.201     0    0.014   0.767     3.890   85.952   79.206
LGA    F     8_A      F     8_A     0.935     0    0.007   0.065     1.092   85.952   88.874
LGA    V     9_A      V     9_A     0.812     0    0.048   0.093     1.047   88.214   89.184
LGA    G    10_A      G    10_A     0.241     0    0.026   0.026     0.582   97.619   97.619
LGA    S    11_A      S    11_A     0.181     0    0.018   0.680     2.372  100.000   94.127
LGA    F    12_A      F    12_A     0.258     0    0.018   0.090     0.393  100.000  100.000
LGA    E    13_A      E    13_A     0.640     0    0.029   0.598     3.035   92.857   81.217
LGA    N    14_A      N    14_A     0.560     0    0.010   0.548     2.453   90.476   81.845
LGA    A    15_A      A    15_A     0.285     0    0.015   0.016     0.308  100.000  100.000
LGA    A    16_A      A    16_A     0.429     0    0.045   0.048     0.793  100.000   98.095
LGA    A    17_A      A    17_A     0.542     0    0.022   0.022     0.633   90.476   90.476
LGA    G    18_A      G    18_A     0.443     0    0.062   0.062     0.475  100.000  100.000
LGA    T    19_A      T    19_A     0.327     0    0.013   0.097     0.742   97.619   97.279
LGA    F    20_A      F    20_A     0.249     0    0.031   0.081     0.369  100.000  100.000
LGA    V    21_A      V    21_A     0.115     0    0.016   0.026     0.229  100.000  100.000
LGA    L    22_A      L    22_A     0.179     0    0.021   0.068     0.439  100.000  100.000
LGA    D    23_A      D    23_A     0.337     0    0.033   0.567     1.518  100.000   94.286
LGA    M    24_A      M    24_A     0.266     0    0.085   0.643     2.750  100.000   86.667
LGA    Y    25_A      Y    25_A     0.297     0    0.017   0.076     1.116  100.000   93.690
LGA    A    26_A      A    26_A     0.316     0    0.011   0.014     0.361  100.000  100.000
LGA    Y    27_A      Y    27_A     0.159     0    0.006   0.303     1.393  100.000   92.976
LGA    E    28_A      E    28_A     0.379     0    0.010   0.769     3.562  100.000   80.265
LGA    R    29_A      R    29_A     0.615     0    0.006   1.639     5.489   90.476   67.273
LGA    L    30_A      L    30_A     0.403     0    0.014   0.093     0.656  100.000   98.810
LGA    A    31_A      A    31_A     0.375     0    0.023   0.026     0.409  100.000  100.000
LGA    N    32_A      N    32_A     0.151     0    0.107   0.112     0.930   97.619   95.238
LGA    S    33_A      S    33_A     0.187     0    0.084   0.090     0.382  100.000  100.000
LGA    I    34_A      I    34_A     0.341     0    0.032   0.167     0.845  100.000   98.810
LGA    S    35_A      S    35_A     0.459     0    0.029   0.660     2.111  100.000   94.127
LGA    T    36_A      T    36_A     0.628     0    0.004   0.051     0.781   90.476   90.476
LGA    E    37_A      E    37_A     0.848     0    0.024   1.036     3.581   90.476   74.127
LGA    K    38_A      K    38_A     0.486     0    0.008   0.942     3.998   97.619   80.159
LGA    L    39_A      L    39_A     0.302     0    0.019   0.182     0.748  100.000   98.810
LGA    R    40_A      R    40_A     0.565     0    0.034   0.474     1.130   92.857   89.697
LGA    Q    41_A      Q    41_A     0.466     0    0.025   1.138     4.662   97.619   82.434
LGA    Y    42_A      Y    42_A     0.243     0    0.004   0.152     0.553  100.000   99.206
LGA    A    43_A      A    43_A     0.517     0    0.010   0.013     0.603   92.857   92.381
LGA    S    44_A      S    44_A     0.509     0    0.023   0.601     2.369   92.857   87.778
LGA    T    45_A      T    45_A     0.360     0    0.024   0.103     0.487  100.000  100.000
LGA    Y    46_A      Y    46_A     0.465     0    0.012   0.055     0.507   95.238   98.413
LGA    N    47_A      N    47_A     0.500     0    0.007   0.405     1.446   97.619   94.107
LGA    K    48_A      K    48_A     0.378     0    0.002   0.719     2.487  100.000   95.026
LGA    Y    49_A      Y    49_A     0.481     0    0.038   0.114     0.625   95.238   96.032
LGA    K    50_A      K    50_A     0.476     0    0.054   0.634     4.373   92.976   75.979
LGA    Y    51_A      Y    51_A     1.297     0    0.082   0.076     3.358   83.690   67.976
LGA    Y    52_A      Y    52_A     0.872     0    0.061   0.087     1.103   85.952   88.968
LGA    S    53_A      S    53_A     1.756     0    0.062   0.666     4.575   72.976   64.683
LGA    G    54_A      G    54_A     1.178     0    0.663   0.663     3.467   71.667   71.667
LGA    S    55_A      S    55_A     5.450     0    0.676   0.829     8.797   25.000   18.810
LGA    A    56_A      A    56_A     8.071     0    0.676   0.623    10.030   13.214   10.571
LGA    S    57_A      S    57_A     5.293     0    0.623   0.620     8.112   34.167   25.794
LGA    E    58_A      E    58_A     2.932     0    0.628   1.122    11.947   62.857   31.852
LGA    A    59_A      A    59_A     2.134     0    0.084   0.089     2.350   70.952   69.714
LGA    D    60_A      D    60_A     0.588     0    0.267   0.929     2.808   92.857   80.952
LGA    Y    61_A      Y    61_A     0.921     0    0.019   0.083     0.960   90.476   90.476
LGA    R    62_A      R    62_A     1.067     0    0.027   1.244     6.675   85.952   58.658
LGA    L    63_A      L    63_A     0.712     0    0.028   1.015     3.134   90.476   83.214
LGA    A    64_A      A    64_A     0.399     0    0.026   0.029     0.498  100.000  100.000
LGA    C    65_A      C    65_A     0.401     0    0.018   0.035     0.457  100.000  100.000
LGA    F    66_A      F    66_A     0.436     0    0.029   0.082     0.729   97.619   94.805
LGA    A    67_A      A    67_A     0.360     0    0.010   0.011     0.449  100.000  100.000
LGA    H    68_A      H    68_A     0.219     0    0.022   0.093     0.353  100.000  100.000
LGA    L    69_A      L    69_A     0.226     0    0.019   0.063     0.427  100.000  100.000
LGA    A    70_A      A    70_A     0.260     0    0.009   0.010     0.297  100.000  100.000
LGA    K    71_A      K    71_A     0.248     0    0.005   0.682     3.176  100.000   92.328
LGA    A    72_A      A    72_A     0.197     0    0.028   0.029     0.232  100.000  100.000
LGA    M    73_A      M    73_A     0.367     0    0.014   0.075     0.478  100.000  100.000
LGA    M    74_A      M    74_A     0.395     0    0.041   0.620     1.887  100.000   95.417
LGA    D    75_A      D    75_A     0.274     0    0.051   0.147     0.640  100.000   98.810
LGA    Y    76_A      Y    76_A     0.252     0    0.017   0.053     0.953  100.000   96.032
LGA    A    77_A      A    77_A     0.377     0    0.046   0.049     0.398  100.000  100.000
LGA    S    78_A      S    78_A     0.552     0    0.028   0.572     2.142   92.857   87.778
LGA    N    79_A      N    79_A     0.555     0    0.029   0.174     0.798   92.857   94.048
LGA    H    80_A      H    80_A     0.540     0    0.072   0.618     1.638   90.476   86.000
LGA    N    81_A      N    81_A     0.598     0    0.067   1.339     3.528   90.476   77.321
LGA    D    82_A      D    82_A     0.312     0    0.014   0.374     1.382   97.619   95.298
LGA    T    83_A      T    83_A     0.491     0    0.013   0.519     1.246  100.000   93.333
LGA    L    84_A      L    84_A     0.176     0    0.052   0.060     1.015  100.000   95.298
LGA    Y    85_A      Y    85_A     0.225     0    0.024   0.091     0.651  100.000   97.619
LGA    T    86_A      T    86_A     0.228     0    0.077   0.076     0.385  100.000  100.000
LGA    P    87_A      P    87_A     0.239     0    0.010   0.248     0.676   97.619   97.279
LGA    P    88_A      P    88_A     0.689     0    0.120   0.256     1.007   97.619   94.626
LGA    T    89_A      T    89_A     1.012     0    0.104   0.307     2.708   88.214   80.612
LGA    V    90_A      V    90_A     1.155     0    0.085   0.488     2.625   81.429   78.027

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     1.384          1.297                  1.771           91.757   87.131

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     89    1.11    95.278    97.217     7.369

LGA_LOCAL      RMSD:   1.108  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.392  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.384  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.802745 * X  +   0.424089 * Y  +   0.419224 * Z  + -10.603406
  Y_new =   0.302586 * X  +   0.895470 * Y  +  -0.326459 * Z  +  21.575243
  Z_new =  -0.513851 * X  +  -0.135212 * Y  +  -0.847157 * Z  +  -0.785097 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.781122  0.539667 -2.983321   [DEG:  159.3466   30.9207 -170.9317 ]
ZXZ:  0.909165  2.581409 -1.828098   [DEG:   52.0913  147.9038 -104.7423 ]
 
# END of job
