
#######################################################
#                                                     #
#                        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       0.65     0.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.65     0.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.65     0.65
  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     37   96  102  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   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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   96  102  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     68   96  102  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     68   96  102  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   96  102  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     66   96  102  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     26   96  102  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      3   70  102  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     26   96  102  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   38   79  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     26   95  102  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     22   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     65   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     66   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     68   96  102  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     29   96  102  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     29   96  102  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     65   96  102  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     67   96  102  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     67   96  102  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     19   96  102  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     26   96  102  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     68   96  102  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     68   96  102  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     27   96  102  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     31   96  102  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     68   96  102  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      8   42  102  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   69  102  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     68   96  102  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     53   96  102  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     68   96  102  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     68   96  102  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     53   96  102  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     68   96  102  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     68   96  102  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     53   96  102  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     68   96  102  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     68   96  102  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     41   96  102  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     25   96  102  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     26   96  102  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     38   96  102  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     23   96  102  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     12   77  102  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     65   96  102  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     32   96  102  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      5   57  102  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     68     96    102    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  65.38  92.31  98.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.49   0.59   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65
GDT RMS_ALL_AT   0.68   0.66   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65

# 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     0.609     4    0.042   0.054     0.826   95.238   52.381
LGA    E    18_A      E    18_A     0.293     4    0.013   0.014     0.410  100.000   55.556
LGA    E    19_A      E    19_A     0.429     4    0.179   0.192     0.710  100.000   54.497
LGA    M    20_A      M    20_A     0.470     0    0.018   0.704     2.612   95.238   87.560
LGA    N    21_A      N    21_A     0.479     0    0.099   0.992     4.219   95.238   80.952
LGA    K    22_A      K    22_A     0.611     0    0.008   0.395     2.256   90.476   84.656
LGA    V    23_A      V    23_A     0.489     0    0.029   0.056     0.850   97.619   94.558
LGA    H    24_A      H    24_A     0.240     0    0.065   0.154     0.815   97.619   97.143
LGA    N    25_A      N    25_A     0.367     0    0.106   0.286     1.774   95.238   90.655
LGA    I    26_A      I    26_A     0.402     0    0.015   0.070     0.532  100.000   98.810
LGA    K    27_A      K    27_A     0.319     0    0.061   0.858     5.007  100.000   76.984
LGA    C    28_A      C    28_A     0.203     0    0.098   0.157     0.850   97.619   96.825
LGA    H    29_A      H    29_A     0.388     0    0.019   1.142     2.308   95.238   86.476
LGA    F    30_A      F    30_A     0.737     0    0.014   0.042     1.345   90.476   85.541
LGA    D    31_A      D    31_A     0.914     0    0.072   0.699     2.126   85.952   82.738
LGA    N    32_A      N    32_A     1.579     0    0.090   0.428     2.426   79.286   72.024
LGA    C    33_A      C    33_A     0.836     0    0.519   0.533     2.790   82.143   84.921
LGA    N    34_A      N    34_A     2.111     0    0.040   0.100     3.671   70.833   59.643
LGA    R    35_A      R    35_A     1.076     0    0.090   1.090     7.320   90.595   57.532
LGA    K    36_A      K    36_A     0.746     0    0.029   0.740     1.694   90.476   86.508
LGA    I    37_A      I    37_A     0.255     0    0.059   0.641     2.262  100.000   95.595
LGA    H    38_A      H    38_A     0.504     0    0.115   0.846     2.538   90.595   80.190
LGA    W    39_A      W    39_A     0.476     0    0.047   0.120     0.703   97.619   95.918
LGA    K    40_A      K    40_A     0.395     0    0.023   0.087     0.475  100.000  100.000
LGA    I    41_A      I    41_A     0.380     0    0.047   0.106     0.454  100.000  100.000
LGA    R    42_A      R    42_A     0.558     0    0.110   0.742     3.148   92.857   71.342
LGA    Y    43_A      Y    43_A     0.487     0    0.024   0.134     1.478   97.619   89.841
LGA    G    44_A      G    44_A     0.430     0    0.017   0.017     0.484  100.000  100.000
LGA    K    45_A      K    45_A     0.313     0    0.008   0.642     3.057  100.000   91.323
LGA    L    46_A      L    46_A     0.327     0    0.015   0.104     0.404  100.000  100.000
LGA    R    47_A      R    47_A     0.455     0    0.026   0.992     2.304  100.000   83.723
LGA    L    48_A      L    48_A     0.298     0    0.009   0.101     0.634  100.000   98.810
LGA    V    49_A      V    49_A     0.225     0    0.038   0.057     0.429  100.000  100.000
LGA    D    50_A      D    50_A     0.422     0    0.019   0.705     2.684  100.000   87.738
LGA    H    51_A      H    51_A     0.238     0    0.023   0.406     1.444  100.000   93.476
LGA    A    52_A      A    52_A     0.450     0    0.034   0.044     0.526  100.000   98.095
LGA    L    53_A      L    53_A     0.274     0    0.039   0.083     0.609  100.000   97.619
LGA    S    54_A      S    54_A     0.318     0    0.019   0.049     0.356  100.000  100.000
LGA    H    55_A      H    55_A     0.519     0    0.028   0.189     1.213   92.857   88.714
LGA    Q    56_A      Q    56_A     0.615     0    0.046   0.657     1.677   95.238   88.624
LGA    E    57_A      E    57_A     0.418     4    0.056   0.071     0.486  100.000   55.556
LGA    E    58_A      E    58_A     0.338     4    0.104   0.114     0.815   97.619   54.497
LGA    K    59_A      K    59_A     0.374     0    0.086   0.495     1.991  100.000   95.926
LGA    S    60_A      S    60_A     0.475     0    0.048   0.074     0.517   97.619   96.825
LGA    I    61_A      I    61_A     0.522     0    0.076   0.633     1.236   95.238   91.726
LGA    D    62_A      D    62_A     0.462     0    0.042   0.123     0.610   97.619   96.429
LGA    C    63_A      C    63_A     0.291     0    0.062   0.088     0.722   97.619   98.413
LGA    Q    64_A      Q    64_A     0.424     0    0.079   0.996     3.058  100.000   90.265
LGA    K    65_A      K    65_A     0.233     0    0.109   0.296     1.815   95.357   91.799
LGA    C    66_A      C    66_A     0.196     0    0.061   0.152     0.381  100.000  100.000
LGA    E    67_A      E    67_A     0.266     4    0.118   0.111     0.845   97.619   54.497
LGA    Y    68_A      Y    68_A     0.288     0    0.076   0.153     0.428  100.000  100.000
LGA    S    69_A      S    69_A     0.355     0    0.052   0.681     2.221  100.000   94.127
LGA    C    70_A      C    70_A     0.293     0    0.042   0.101     0.487  100.000  100.000
LGA    Q    71_A      Q    71_A     0.528     0    0.020   0.349     1.986   97.619   90.688
LGA    T    72_A      T    72_A     0.321     0    0.049   0.080     0.758  100.000   95.918
LGA    T    73_A      T    73_A     0.230     0    0.013   0.080     0.538  100.000   98.639
LGA    R    74_A      R    74_A     0.419     0    0.022   1.391     7.125  100.000   70.693
LGA    Q    75_A      Q    75_A     0.333     0    0.045   0.190     1.023  100.000   96.878
LGA    M    76_A      M    76_A     0.199     0    0.032   0.089     0.384  100.000  100.000
LGA    R    77_A      R    77_A     0.195     0    0.019   1.159     5.208  100.000   82.857
LGA    Y    78_A      Y    78_A     0.240     0    0.023   0.120     1.114  100.000   95.278
LGA    H    79_A      H    79_A     0.186     0    0.057   0.071     0.359  100.000  100.000
LGA    Y    80_A      Y    80_A     0.088     0    0.044   0.052     0.363  100.000  100.000
LGA    K    81_A      K    81_A     0.332     0    0.057   0.922     5.307  100.000   80.423
LGA    K    82_A      K    82_A     0.391     0    0.024   0.708     3.471  100.000   81.799
LGA    I    83_A      I    83_A     0.261     0    0.017   0.056     0.336  100.000  100.000
LGA    H    84_A      H    84_A     0.134     0    0.057   0.058     0.306  100.000  100.000
LGA    A    85_A      A    85_A     0.413     0    0.015   0.017     0.618  100.000   98.095
LGA    N    86_A      N    86_A     0.322     3    0.086   0.094     0.667  100.000   61.310
LGA    L    87_A      L    87_A     0.175     0    0.030   1.098     2.767  100.000   89.286
LGA    K    88_A      K    88_A     0.705     0    0.007   0.784     3.352   90.476   82.011
LGA    M    89_A      M    89_A     0.838     0    0.124   0.350     1.188   90.476   89.345
LGA    E    90_A      E    90_A     0.620     0    0.097   0.590     2.340   88.214   81.693
LGA    G    91_A      G    91_A     0.577     0    0.191   0.191     0.577   97.619   97.619
LGA    F    92_A      F    92_A     0.526     0    0.035   0.069     0.688   90.476   94.805
LGA    G    93_A      G    93_A     0.889     0    0.025   0.025     0.889   90.476   90.476
LGA    I    94_A      I    94_A     0.970     0    0.037   1.155     3.192   90.476   80.952
LGA    L    95_A      L    95_A     0.313     0    0.091   0.111     1.192   97.619   92.917
LGA    N    96_A      N    96_A     0.373     0    0.069   1.009     2.550   92.976   86.548
LGA    I    97_A      I    97_A     0.706     0    0.033   0.103     0.942   90.476   90.476
LGA    P    98_A      P    98_A     0.628     0    0.117   0.116     0.804   95.238   93.197
LGA    L    99_A      L    99_A     0.461     0    0.143   0.139     0.646   95.238   97.619
LGA    Q   100_A      Q   100_A     1.517     0    0.353   0.849     5.170   79.286   63.598
LGA    N   101_A      N   101_A     1.636     0    0.096   0.460     3.250   81.667   75.476
LGA    T   102_A      T   102_A     0.175     0    0.026   1.062     2.831   97.619   87.483
LGA    K   103_A      K   103_A     0.728     0    0.031   0.963     2.914   90.476   82.063
LGA    F   104_A      F   104_A     0.432     0    0.027   0.082     0.655   97.619   96.537
LGA    S   105_A      S   105_A     0.432     0    0.019   0.683     2.202   95.238   90.952
LGA    D   106_A      D   106_A     0.649     0    0.032   0.134     0.712   90.476   90.476
LGA    V   107_A      V   107_A     0.530     0    0.023   0.959     2.211   90.476   84.286
LGA    W   108_A      W   108_A     0.515     0    0.026   0.070     0.559   90.476   96.599
LGA    N   109_A      N   109_A     0.647     0    0.016   0.761     3.190   90.476   81.012
LGA    K   110_A      K   110_A     0.524     0    0.027   1.230     5.517   95.238   71.799
LGA    C   111_A      C   111_A     0.523     0    0.052   0.074     0.688   92.857   92.063
LGA    F   112_A      F   112_A     0.736     0    0.047   0.101     1.008   90.476   89.654
LGA    G   113_A      G   113_A     1.060     0    0.022   0.022     1.348   83.690   83.690
LGA    D   114_A      D   114_A     1.039     3    0.129   0.143     1.039   88.214   55.417
LGA    Q   115_A      Q   115_A     0.796     0    0.092   0.102     1.017   88.214   89.471
LGA    L   116_A      L   116_A     1.074     0    0.066   1.064     2.975   83.690   76.369
LGA    K   117_A      K   117_A     1.243     0    0.032   0.782     5.100   81.429   64.497
LGA    T   118_A      T   118_A     0.538     0    0.039   0.080     0.695   90.476   93.197
LGA    I   119_A      I   119_A     0.712     0    0.186   1.254     3.481   83.810   79.881
LGA    G   120_A      G   120_A     1.860     0    0.095   0.095     2.493   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):     0.646          0.655                  1.288           94.760   86.558

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.65    98.077    99.249    13.948

LGA_LOCAL      RMSD:   0.646  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.646  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.646  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.350256 * X  +   0.558973 * Y  +  -0.751578 * Z  +  -2.289103
  Y_new =  -0.824569 * X  +   0.564636 * Y  +   0.035667 * Z  +  -2.651212
  Z_new =   0.444305 * X  +   0.607236 * Y  +   0.658679 * Z  +   0.157493 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.169117 -0.460398  0.744783   [DEG:  -66.9855  -26.3789   42.6729 ]
ZXZ: -1.618216  0.851735  0.631675   [DEG:  -92.7170   48.8008   36.1923 ]
 
# END of job
