
#######################################################
#                                                     #
#                        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       0.68     0.68
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.68     0.68
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.68     0.68
  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     34   95  101  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     68   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     68   95  101  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     69   95  101  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     69   95  101  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     68   95  101  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     30   95  101  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     21   95  101  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      6   84  101  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     23   95  101  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   35   95  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     22   94  101  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     23   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     65   95  101  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     55   95  101  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     69   95  101  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     67   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     51   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     31   95  101  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     69   95  101  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     69   95  101  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     59   95  101  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     62   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     25   95  101  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     21   94  101  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     69   95  101  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     69   95  101  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     13   95  101  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     32   95  101  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     56   95  101  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      4   25   94  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      4   10   38  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     32   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     69   95  101  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     66   95  101  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     30   95  101  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     23   95  101  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     23   95  101  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     22   95  101  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     13   81  101  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     49   95  101  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     13   95  101  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     25   77  101  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     69     95    101    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  66.35  91.35  97.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.50   0.58   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68
GDT RMS_ALL_AT   0.71   0.69   0.69   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68   0.68

# 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     0.756     4    0.043   0.055     0.996   95.238   52.381
LGA    E    18_A      E    18_A     0.390     4    0.014   0.016     0.511   97.619   54.497
LGA    E    19_A      E    19_A     0.366     4    0.181   0.199     0.674  100.000   54.497
LGA    M    20_A      M    20_A     0.389     0    0.021   0.703     2.643  100.000   89.940
LGA    N    21_A      N    21_A     0.371     0    0.101   0.989     4.022   97.619   82.143
LGA    K    22_A      K    22_A     0.555     0    0.008   0.386     2.384   92.857   85.714
LGA    V    23_A      V    23_A     0.435     0    0.041   0.065     0.805   97.619   94.558
LGA    H    24_A      H    24_A     0.202     0    0.053   0.149     0.868   97.619   96.190
LGA    N    25_A      N    25_A     0.326     0    0.066   0.182     1.608   97.619   91.845
LGA    I    26_A      I    26_A     0.422     0    0.017   0.104     0.611   97.619   96.429
LGA    K    27_A      K    27_A     0.345     0    0.081   0.870     4.812  100.000   77.566
LGA    C    28_A      C    28_A     0.326     0    0.097   0.159     1.022   92.976   92.143
LGA    H    29_A      H    29_A     0.603     0    0.015   0.126     0.883   92.857   93.333
LGA    F    30_A      F    30_A     0.876     0    0.019   0.046     1.355   90.476   85.541
LGA    D    31_A      D    31_A     1.069     0    0.075   0.712     1.982   83.690   82.619
LGA    N    32_A      N    32_A     1.606     0    0.071   0.449     2.355   79.286   73.036
LGA    C    33_A      C    33_A     0.917     0    0.517   0.535     2.848   82.143   84.921
LGA    N    34_A      N    34_A     2.101     0    0.038   0.097     3.610   68.810   59.464
LGA    R    35_A      R    35_A     1.140     0    0.098   0.965     3.965   90.595   68.398
LGA    K    36_A      K    36_A     0.693     0    0.032   0.747     1.659   90.476   86.508
LGA    I    37_A      I    37_A     0.139     0    0.051   0.649     2.306  100.000   95.595
LGA    H    38_A      H    38_A     0.357     0    0.118   0.862     2.376   97.619   83.857
LGA    W    39_A      W    39_A     0.361     0    0.057   0.147     0.613   97.619   96.599
LGA    K    40_A      K    40_A     0.317     0    0.023   0.089     0.405  100.000  100.000
LGA    I    41_A      I    41_A     0.256     0    0.049   0.093     0.335  100.000  100.000
LGA    R    42_A      R    42_A     0.473     0    0.101   0.724     3.477   97.619   73.074
LGA    Y    43_A      Y    43_A     0.474     0    0.033   0.109     1.697  100.000   88.413
LGA    G    44_A      G    44_A     0.315     0    0.013   0.013     0.394  100.000  100.000
LGA    K    45_A      K    45_A     0.299     0    0.017   0.645     3.108  100.000   89.259
LGA    L    46_A      L    46_A     0.296     0    0.016   0.084     0.478  100.000  100.000
LGA    R    47_A      R    47_A     0.369     0    0.021   1.000     2.609  100.000   83.074
LGA    L    48_A      L    48_A     0.297     0    0.009   0.095     0.615  100.000   98.810
LGA    V    49_A      V    49_A     0.283     0    0.043   0.066     0.597  100.000   98.639
LGA    D    50_A      D    50_A     0.412     0    0.015   0.718     2.822  100.000   87.738
LGA    H    51_A      H    51_A     0.225     0    0.022   0.351     1.537  100.000   91.667
LGA    A    52_A      A    52_A     0.468     0    0.030   0.041     0.542  100.000   98.095
LGA    L    53_A      L    53_A     0.324     0    0.041   0.078     0.742  100.000   97.619
LGA    S    54_A      S    54_A     0.299     0    0.016   0.037     0.339  100.000  100.000
LGA    H    55_A      H    55_A     0.614     0    0.040   0.156     1.258   92.857   88.714
LGA    Q    56_A      Q    56_A     0.717     0    0.057   0.652     1.671   95.238   86.614
LGA    E    57_A      E    57_A     0.078     4    0.036   0.052     0.281  100.000   55.556
LGA    E    58_A      E    58_A     0.497     4    0.079   0.086     0.841   97.619   53.439
LGA    K    59_A      K    59_A     0.272     0    0.034   0.524     2.463  100.000   95.026
LGA    S    60_A      S    60_A     0.243     0    0.015   0.164     0.794  100.000   98.413
LGA    I    61_A      I    61_A     0.401     0    0.065   0.637     1.448  100.000   96.488
LGA    D    62_A      D    62_A     0.522     0    0.046   0.102     0.767   95.238   92.857
LGA    C    63_A      C    63_A     0.398     0    0.093   0.119     1.015   92.976   95.317
LGA    Q    64_A      Q    64_A     0.720     0    0.050   1.056     2.734   90.476   83.810
LGA    K    65_A      K    65_A     0.363     0    0.114   0.260     1.941   92.976   90.741
LGA    C    66_A      C    66_A     0.386     0    0.063   0.158     0.582   97.619   98.413
LGA    E    67_A      E    67_A     0.448     4    0.090   0.084     1.012   92.976   52.434
LGA    Y    68_A      Y    68_A     0.396     0    0.067   0.149     0.515   97.619   99.206
LGA    S    69_A      S    69_A     0.332     0    0.038   0.064     0.471  100.000  100.000
LGA    C    70_A      C    70_A     0.061     0    0.052   0.120     0.407  100.000  100.000
LGA    Q    71_A      Q    71_A     0.414     0    0.025   0.178     1.343  100.000   91.693
LGA    T    72_A      T    72_A     0.373     0    0.053   0.084     0.772  100.000   95.918
LGA    T    73_A      T    73_A     0.367     0    0.019   0.090     0.663  100.000   98.639
LGA    R    74_A      R    74_A     0.412     0    0.022   1.405     7.189  100.000   70.693
LGA    Q    75_A      Q    75_A     0.238     0    0.047   0.218     1.006  100.000   97.937
LGA    M    76_A      M    76_A     0.224     0    0.026   0.112     0.528  100.000   98.810
LGA    R    77_A      R    77_A     0.253     0    0.022   1.110     6.766  100.000   69.784
LGA    Y    78_A      Y    78_A     0.185     0    0.031   0.069     0.458  100.000  100.000
LGA    H    79_A      H    79_A     0.093     0    0.055   0.071     0.191  100.000  100.000
LGA    Y    80_A      Y    80_A     0.279     0    0.045   0.090     0.361  100.000  100.000
LGA    K    81_A      K    81_A     0.309     0    0.069   0.923     4.673   97.619   81.799
LGA    K    82_A      K    82_A     0.279     0    0.018   0.948     6.092  100.000   72.857
LGA    I    83_A      I    83_A     0.192     0    0.004   0.051     0.280  100.000  100.000
LGA    H    84_A      H    84_A     0.336     0    0.067   0.071     0.428  100.000  100.000
LGA    A    85_A      A    85_A     0.693     0    0.016   0.017     0.868   92.857   92.381
LGA    N    86_A      N    86_A     0.497     3    0.097   0.103     0.875   97.619   60.119
LGA    L    87_A      L    87_A     0.443     0    0.032   1.103     3.102   97.619   86.012
LGA    K    88_A      K    88_A     0.562     0    0.011   0.788     4.522   95.238   81.217
LGA    M    89_A      M    89_A     0.545     0    0.098   0.582     1.549   90.476   88.274
LGA    E    90_A      E    90_A     0.416     0    0.085   0.596     1.740   95.238   89.683
LGA    G    91_A      G    91_A     0.307     0    0.085   0.085     0.358  100.000  100.000
LGA    F    92_A      F    92_A     0.488     0    0.045   0.079     0.778   95.238   98.268
LGA    G    93_A      G    93_A     1.011     0    0.023   0.023     1.042   83.690   83.690
LGA    I    94_A      I    94_A     1.151     0    0.061   1.285     2.665   85.952   76.488
LGA    L    95_A      L    95_A     0.480     0    0.024   0.088     1.238   97.619   91.786
LGA    N    96_A      N    96_A     0.518     0    0.093   1.073     2.611   90.595   86.548
LGA    I    97_A      I    97_A     0.935     0    0.028   0.100     1.177   90.476   87.083
LGA    P    98_A      P    98_A     0.934     0    0.104   0.103     1.117   92.857   87.959
LGA    L    99_A      L    99_A     0.607     0    0.077   0.147     0.932   90.476   91.667
LGA    Q   100_A      Q   100_A     1.894     0    0.394   0.431     4.679   77.143   58.624
LGA    N   101_A      N   101_A     2.379     0    0.156   0.805     4.252   68.810   60.476
LGA    T   102_A      T   102_A     0.821     0    0.034   1.080     3.229   90.595   80.000
LGA    K   103_A      K   103_A     0.472     0    0.060   0.959     2.606  100.000   87.143
LGA    F   104_A      F   104_A     0.437     0    0.025   0.087     0.680  100.000   94.805
LGA    S   105_A      S   105_A     0.341     0    0.010   0.043     0.653  100.000   98.413
LGA    D   106_A      D   106_A     0.403     0    0.035   0.144     0.587   97.619   96.429
LGA    V   107_A      V   107_A     0.410     0    0.027   0.953     2.248  100.000   91.088
LGA    W   108_A      W   108_A     0.335     0    0.029   0.068     0.532  100.000   98.639
LGA    N   109_A      N   109_A     0.560     0    0.023   0.749     3.533   92.857   79.345
LGA    K   110_A      K   110_A     0.586     0    0.018   1.230     5.479   92.857   71.270
LGA    C   111_A      C   111_A     0.582     0    0.048   0.070     0.705   90.476   90.476
LGA    F   112_A      F   112_A     0.691     0    0.030   0.071     0.977   90.476   90.476
LGA    G   113_A      G   113_A     0.915     0    0.016   0.016     1.192   88.214   88.214
LGA    D   114_A      D   114_A     0.879     3    0.143   0.160     0.879   90.476   56.548
LGA    Q   115_A      Q   115_A     0.812     0    0.089   1.067     3.719   90.476   84.233
LGA    L   116_A      L   116_A     1.025     0    0.060   1.071     2.766   83.690   77.381
LGA    K   117_A      K   117_A     1.281     0    0.027   0.784     5.063   81.429   64.497
LGA    T   118_A      T   118_A     0.665     0    0.023   0.076     0.790   90.476   91.837
LGA    I   119_A      I   119_A     0.820     0    0.130   0.129     1.432   85.952   83.690
LGA    G   120_A      G   120_A     1.560     0    0.127   0.127     2.139   72.976   72.976

# 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):     0.682          0.681                  1.324           94.824   86.222

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.68    97.837    99.102    13.291

LGA_LOCAL      RMSD:   0.682  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.682  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.682  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.986870 * X  +  -0.069204 * Y  +  -0.145937 * Z  +   0.786973
  Y_new =   0.145784 * X  +  -0.007286 * Y  +   0.989290 * Z  +   5.013121
  Z_new =  -0.069526 * X  +  -0.997576 * Y  +   0.002899 * Z  +  -3.752286 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.146662  0.069582 -1.567891   [DEG:    8.4031    3.9867  -89.8335 ]
ZXZ: -2.995132  1.567898 -3.072011   [DEG: -171.6084   89.8339 -176.0132 ]
 
# END of job
