
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:   104      17_A - 120_A       0.62     0.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.62     0.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.62     0.62
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    18_A     E    18_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    19_A     E    19_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    20_A     M    20_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    21_A     N    21_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    22_A     K    22_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    23_A     V    23_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    24_A     H    24_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    25_A     N    25_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    26_A     I    26_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    27_A     K    27_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    28_A     C    28_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    29_A     H    29_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    30_A     F    30_A    104  104  104     27   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    31_A     D    31_A    104  104  104     25   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    32_A     N    32_A    104  104  104      7   46  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    33_A     C    33_A    104  104  104     25   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    34_A     N    34_A    104  104  104      3   36   94  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    35_A     R    35_A    104  104  104     28   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    36_A     K    36_A    104  104  104     27   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    37_A     I    37_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    38_A     H    38_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W    39_A     W    39_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    40_A     K    40_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    41_A     I    41_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    42_A     R    42_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    43_A     Y    43_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    44_A     G    44_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    45_A     K    45_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    46_A     L    46_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    47_A     R    47_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    48_A     L    48_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    49_A     V    49_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    50_A     D    50_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    51_A     H    51_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    52_A     A    52_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    53_A     L    53_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    55_A     H    55_A    104  104  104     74   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    56_A     Q    56_A    104  104  104     53   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    58_A     E    58_A    104  104  104     73   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    59_A     K    59_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    60_A     S    60_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    62_A     D    62_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    63_A     C    63_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    64_A     Q    64_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    65_A     K    65_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    66_A     C    66_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    67_A     E    67_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    68_A     Y    68_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    69_A     S    69_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    70_A     C    70_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    71_A     Q    71_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    72_A     T    72_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    73_A     T    73_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    74_A     R    74_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    75_A     Q    75_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    76_A     M    76_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    77_A     R    77_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    78_A     Y    78_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    79_A     H    79_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    80_A     Y    80_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    81_A     K    81_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    82_A     K    82_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    83_A     I    83_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    84_A     H    84_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    85_A     A    85_A    104  104  104     34   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    86_A     N    86_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    87_A     L    87_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    88_A     K    88_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    89_A     M    89_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    90_A     E    90_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    91_A     G    91_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    92_A     F    92_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    93_A     G    93_A    104  104  104     17   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    94_A     I    94_A    104  104  104     25   83  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    95_A     L    95_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    96_A     N    96_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    97_A     I    97_A    104  104  104     19   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     P    98_A     P    98_A    104  104  104     29   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    99_A     L    99_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   100_A     Q   100_A    104  104  104      7   91  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   101_A     N   101_A    104  104  104      7   23  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   102_A     T   102_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   103_A     K   103_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   104_A     F   104_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   105_A     S   105_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   106_A     D   106_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V   107_A     V   107_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W   108_A     W   108_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   109_A     N   109_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   110_A     K   110_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C   111_A     C   111_A    104  104  104     76   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   112_A     F   112_A    104  104  104     72   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A    104  104  104     35   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   114_A     D   114_A    104  104  104     53   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   115_A     Q   115_A    104  104  104     35   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L   116_A     L   116_A    104  104  104     27   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   117_A     K   117_A    104  104  104     23   89  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   118_A     T   118_A    104  104  104     71   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I   119_A     I   119_A    104  104  104     14   96  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   120_A     G   120_A    104  104  104     26   54  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     76     96    103    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  73.08  92.31  99.04 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.46   0.59   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62
GDT RMS_ALL_AT   0.64   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F   104_A      F   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     0.439     4    0.033   0.046     0.541   97.619   53.439
LGA    E    18_A      E    18_A     0.106     4    0.012   0.013     0.300  100.000   55.556
LGA    E    19_A      E    19_A     0.538     4    0.178   0.190     0.809   97.619   53.439
LGA    M    20_A      M    20_A     0.559     0    0.025   0.715     2.409   90.476   87.262
LGA    N    21_A      N    21_A     0.546     0    0.087   0.951     4.258   90.476   75.476
LGA    K    22_A      K    22_A     0.626     0    0.011   0.405     2.139   90.476   86.614
LGA    V    23_A      V    23_A     0.546     0    0.036   0.059     0.922   95.238   93.197
LGA    H    24_A      H    24_A     0.323     0    0.056   0.122     0.947   97.619   94.286
LGA    N    25_A      N    25_A     0.400     0    0.093   0.177     1.593   95.238   90.655
LGA    I    26_A      I    26_A     0.452     0    0.016   0.082     0.622   97.619   97.619
LGA    K    27_A      K    27_A     0.335     0    0.055   0.856     4.819  100.000   77.566
LGA    C    28_A      C    28_A     0.154     0    0.097   0.162     0.882   97.619   98.413
LGA    H    29_A      H    29_A     0.431     0    0.020   1.130     2.218   95.238   85.524
LGA    F    30_A      F    30_A     0.774     0    0.020   0.055     1.474   90.476   85.541
LGA    D    31_A      D    31_A     1.069     0    0.071   0.723     2.142   83.690   80.476
LGA    N    32_A      N    32_A     1.599     0    0.066   0.418     2.258   79.286   74.048
LGA    C    33_A      C    33_A     0.849     0    0.514   0.532     2.878   82.143   84.921
LGA    N    34_A      N    34_A     1.990     0    0.042   0.124     3.417   75.000   63.393
LGA    R    35_A      R    35_A     1.020     0    0.104   1.286     8.617   90.595   55.152
LGA    K    36_A      K    36_A     0.656     0    0.019   0.748     1.557   90.476   86.508
LGA    I    37_A      I    37_A     0.168     0    0.059   0.659     2.347  100.000   95.595
LGA    H    38_A      H    38_A     0.342     0    0.123   0.852     2.357   97.619   83.857
LGA    W    39_A      W    39_A     0.381     0    0.059   0.135     0.579   97.619   99.320
LGA    K    40_A      K    40_A     0.343     0    0.021   0.077     0.545  100.000   96.825
LGA    I    41_A      I    41_A     0.222     0    0.045   0.099     0.350  100.000  100.000
LGA    R    42_A      R    42_A     0.440     0    0.045   0.982     4.629  100.000   79.654
LGA    Y    43_A      Y    43_A     0.477     0    0.039   0.127     1.821  100.000   87.698
LGA    G    44_A      G    44_A     0.389     0    0.007   0.007     0.408  100.000  100.000
LGA    K    45_A      K    45_A     0.286     0    0.014   0.642     3.134  100.000   91.323
LGA    L    46_A      L    46_A     0.339     0    0.012   0.095     0.462  100.000  100.000
LGA    R    47_A      R    47_A     0.422     0    0.024   1.057     3.308  100.000   80.130
LGA    L    48_A      L    48_A     0.298     0    0.015   0.088     0.524  100.000   98.810
LGA    V    49_A      V    49_A     0.241     0    0.033   0.053     0.450  100.000  100.000
LGA    D    50_A      D    50_A     0.444     0    0.043   0.696     2.529   97.619   87.619
LGA    H    51_A      H    51_A     0.233     0    0.022   0.433     1.272  100.000   94.381
LGA    A    52_A      A    52_A     0.410     0    0.021   0.033     0.482  100.000  100.000
LGA    L    53_A      L    53_A     0.307     0    0.036   0.093     0.630  100.000   97.619
LGA    S    54_A      S    54_A     0.244     0    0.028   0.058     0.305  100.000  100.000
LGA    H    55_A      H    55_A     0.551     0    0.013   0.225     1.254   92.857   88.714
LGA    Q    56_A      Q    56_A     0.719     0    0.052   0.644     1.545   95.238   88.624
LGA    E    57_A      E    57_A     0.223     4    0.073   0.089     0.312  100.000   55.556
LGA    E    58_A      E    58_A     0.523     4    0.079   0.084     0.864   95.238   52.381
LGA    K    59_A      K    59_A     0.376     0    0.059   0.521     2.636   97.619   90.000
LGA    S    60_A      S    60_A     0.148     0    0.024   0.173     0.814  100.000   98.413
LGA    I    61_A      I    61_A     0.374     0    0.059   0.630     1.556  100.000   95.417
LGA    D    62_A      D    62_A     0.430     0    0.039   0.116     0.606  100.000   98.810
LGA    C    63_A      C    63_A     0.335     0    0.054   0.080     0.800   95.238   96.825
LGA    Q    64_A      Q    64_A     0.516     0    0.072   0.938     2.865   97.619   88.942
LGA    K    65_A      K    65_A     0.301     0    0.079   0.287     1.953   92.976   90.741
LGA    C    66_A      C    66_A     0.294     0    0.060   0.139     0.446  100.000  100.000
LGA    E    67_A      E    67_A     0.240     4    0.115   0.109     0.890   97.619   54.497
LGA    Y    68_A      Y    68_A     0.326     0    0.065   0.145     0.458  100.000  100.000
LGA    S    69_A      S    69_A     0.342     0    0.044   0.068     0.473  100.000  100.000
LGA    C    70_A      C    70_A     0.185     0    0.044   0.096     0.299  100.000  100.000
LGA    Q    71_A      Q    71_A     0.451     0    0.020   0.321     2.071  100.000   89.841
LGA    T    72_A      T    72_A     0.419     0    0.062   0.095     0.866  100.000   95.918
LGA    T    73_A      T    73_A     0.348     0    0.017   0.109     0.658  100.000   98.639
LGA    R    74_A      R    74_A     0.480     0    0.022   1.462     7.731  100.000   65.368
LGA    Q    75_A      Q    75_A     0.352     0    0.028   0.179     1.043  100.000   96.878
LGA    M    76_A      M    76_A     0.246     0    0.036   0.100     0.404  100.000  100.000
LGA    R    77_A      R    77_A     0.242     0    0.022   1.143     6.647  100.000   71.039
LGA    Y    78_A      Y    78_A     0.245     0    0.021   0.092     0.914  100.000   96.825
LGA    H    79_A      H    79_A     0.180     0    0.051   0.091     0.255  100.000  100.000
LGA    Y    80_A      Y    80_A     0.192     0    0.045   0.046     0.292  100.000  100.000
LGA    K    81_A      K    81_A     0.336     0    0.060   0.908     4.868   97.619   81.005
LGA    K    82_A      K    82_A     0.229     0    0.023   0.681     3.814  100.000   81.217
LGA    I    83_A      I    83_A     0.141     0    0.007   0.068     0.267  100.000  100.000
LGA    H    84_A      H    84_A     0.304     0    0.055   0.079     0.402  100.000  100.000
LGA    A    85_A      A    85_A     0.646     0    0.018   0.018     0.849   95.238   94.286
LGA    N    86_A      N    86_A     0.182     3    0.081   0.088     0.516  100.000   61.310
LGA    L    87_A      L    87_A     0.150     0    0.035   1.125     3.021  100.000   87.202
LGA    K    88_A      K    88_A     0.378     0    0.007   0.799     3.159  100.000   90.265
LGA    M    89_A      M    89_A     0.455     0    0.132   0.289     0.890  100.000   97.619
LGA    E    90_A      E    90_A     0.308     0    0.095   0.613     2.072   97.619   88.889
LGA    G    91_A      G    91_A     0.345     0    0.173   0.173     0.449  100.000  100.000
LGA    F    92_A      F    92_A     0.361     0    0.033   0.089     0.689   95.238   98.268
LGA    G    93_A      G    93_A     0.973     0    0.023   0.023     1.022   88.214   88.214
LGA    I    94_A      I    94_A     1.193     0    0.033   1.171     3.380   85.952   78.690
LGA    L    95_A      L    95_A     0.410     0    0.078   0.098     0.945   95.238   94.048
LGA    N    96_A      N    96_A     0.327     0    0.075   1.028     2.663   92.976   86.548
LGA    I    97_A      I    97_A     0.832     0    0.029   0.095     1.094   90.476   88.214
LGA    P    98_A      P    98_A     0.693     0    0.100   0.101     0.943   95.238   93.197
LGA    L    99_A      L    99_A     0.410     0    0.096   0.097     0.613   95.238   96.429
LGA    Q   100_A      Q   100_A     1.348     0    0.350   0.298     3.330   81.429   68.042
LGA    N   101_A      N   101_A     1.733     0    0.132   0.798     4.100   77.143   65.714
LGA    T   102_A      T   102_A     0.264     0    0.049   1.064     2.841   97.619   87.483
LGA    K   103_A      K   103_A     0.578     0    0.053   0.943     2.757   97.619   85.238
LGA    F   104_A      F   104_A     0.338     0    0.018   0.114     0.919  100.000   94.805
LGA    S   105_A      S   105_A     0.238     0    0.014   0.708     2.416  100.000   94.127
LGA    D   106_A      D   106_A     0.463     0    0.037   0.130     0.549   97.619   97.619
LGA    V   107_A      V   107_A     0.365     0    0.026   0.953     2.164  100.000   89.932
LGA    W   108_A      W   108_A     0.358     0    0.024   0.062     0.434  100.000  100.000
LGA    N   109_A      N   109_A     0.505     0    0.024   0.736     3.242   95.238   82.381
LGA    K   110_A      K   110_A     0.442     0    0.024   1.232     5.524  100.000   74.974
LGA    C   111_A      C   111_A     0.467     0    0.044   0.064     0.645  100.000   96.825
LGA    F   112_A      F   112_A     0.617     0    0.051   0.127     0.940   90.476   91.342
LGA    G   113_A      G   113_A     0.833     0    0.041   0.041     1.179   88.214   88.214
LGA    D   114_A      D   114_A     0.791     3    0.115   0.129     0.791   90.476   56.548
LGA    Q   115_A      Q   115_A     0.714     0    0.091   0.115     0.920   90.476   93.651
LGA    L   116_A      L   116_A     1.004     0    0.055   1.072     2.929   83.690   77.381
LGA    K   117_A      K   117_A     1.215     0    0.019   0.784     4.997   81.429   65.079
LGA    T   118_A      T   118_A     0.531     0    0.050   0.075     0.692   90.476   93.197
LGA    I   119_A      I   119_A     0.741     0    0.198   1.269     3.609   83.810   77.917
LGA    G   120_A      G   120_A     1.759     0    0.119   0.119     2.441   70.952   70.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     0.615          0.629                  1.349           95.576   86.944

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.62    98.077    99.321    14.542

LGA_LOCAL      RMSD:   0.615  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.615  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.615  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.031902 * X  +  -0.005827 * Y  +  -0.999474 * Z  +  -0.309085
  Y_new =  -0.635081 * X  +  -0.772048 * Y  +   0.024773 * Z  +   2.973947
  Z_new =  -0.771787 * X  +   0.635537 * Y  +   0.020929 * Z  +  -0.529209 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.620988  0.881646  1.537877   [DEG:  -92.8758   50.5146   88.1138 ]
ZXZ: -1.595577  1.549865 -0.881912   [DEG:  -91.4198   88.8008  -50.5298 ]
 
# END of job
