
#######################################################
#                                                     #
#                        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  105 (  799),  selected  105 , name one
# Molecule2: number of CA atoms  108 (  820),  selected  105 , 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:   105      18_A - 122_A       0.70     0.70
  LCS_AVERAGE:     97.22

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      18_A - 122_A       0.70     0.70
  LCS_AVERAGE:     97.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      18_A - 122_A       0.70     0.70
  LCS_AVERAGE:     97.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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    18_A     K    18_A    105  105  105      3    4   13   38  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    19_A     I    19_A    105  105  105     18  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    20_A     T    20_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    21_A     S    21_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    22_A     I    22_A    105  105  105     27  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    23_A     L    23_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    24_A     N    24_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     P    25_A     P    25_A    105  105  105     53  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    26_A     A    26_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    27_A     D    27_A    105  105  105     54  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    28_A     I    28_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    29_A     T    29_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    30_A     K    30_A    105  105  105     46  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    31_A     A    31_A    105  105  105     54  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    32_A     L    32_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    33_A     E    33_A    105  105  105     49  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     Q    34_A     Q    34_A    105  105  105     21  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     C    35_A     C    35_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    36_A     A    36_A    105  105  105      4   26  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    37_A     A    37_A    105  105  105      4    6   57  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    38_A     G    38_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    39_A     F    39_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     H    40_A     H    40_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     H    41_A     H    41_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    42_A     T    42_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    43_A     A    43_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    44_A     F    44_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    45_A     F    45_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    47_A     A    47_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    48_A     S    48_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    49_A     G    49_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    50_A     L    50_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    51_A     S    51_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    52_A     K    52_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    53_A     K    53_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    54_A     S    54_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    55_A     D    55_A    105  105  105     45  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    56_A     A    56_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    57_A     E    57_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    58_A     L    58_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    59_A     A    59_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    60_A     E    60_A    105  105  105     45  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    61_A     I    61_A    105  105  105     45  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    62_A     F    62_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    63_A     N    63_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V    64_A     V    64_A    105  105  105     30  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    65_A     L    65_A    105  105  105     30  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    66_A     D    66_A    105  105  105     45  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    67_A     G    67_A    105  105  105     41  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A    105  105  105     30   99  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     Q    69_A     Q    69_A    105  105  105     18  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    70_A     S    70_A    105  105  105     41  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    71_A     G    71_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     Y    72_A     Y    72_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    73_A     I    73_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    74_A     E    74_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V    75_A     V    75_A    105  105  105     53  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    76_A     E    76_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    77_A     E    77_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    78_A     L    78_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    79_A     K    79_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    80_A     N    80_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    81_A     F    81_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    82_A     L    82_A    105  105  105     53  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A    105  105  105     53  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     C    84_A     C    84_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    85_A     F    85_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    86_A     S    86_A    105  105  105     54  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    88_A     G    88_A    105  105  105     53  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    89_A     A    89_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     R    90_A     R    90_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V    91_A     V    91_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    92_A     L    92_A    105  105  105     52  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    93_A     N    93_A    105  105  105     41  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    94_A     D    94_A    105  105  105     41  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    95_A     K    95_A    105  105  105     41  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    96_A     E    96_A    105  105  105     41  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    97_A     T    97_A    105  105  105     25  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    98_A     S    98_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    99_A     N    99_A    105  105  105     41  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F   100_A     F   100_A    105  105  105     35  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L   101_A     L   101_A    105  105  105     26   99  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A   102_A     A   102_A    105  105  105     12  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A   103_A     A   103_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G   104_A     G   104_A    105  105  105     26  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   105_A     D   105_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S   106_A     S   106_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A    105  105  105     19  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G   108_A     G   108_A    105  105  105      7  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   109_A     D   109_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     H   110_A     H   110_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K   111_A     K   111_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I   112_A     I   112_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G   113_A     G   113_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V   114_A     V   114_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   115_A     D   115_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E   116_A     E   116_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F   117_A     F   117_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S   119_A     S   119_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     M   120_A     M   120_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A   121_A     A   121_A    105  105  105     54  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K   122_A     K   122_A    105  105  105     55  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  97.22  (  97.22   97.22   97.22 )

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     55    100    103    104    104    105    105    105    105    105    105    105    105    105    105    105    105    105    105    105 
GDT PERCENT_AT  50.93  92.59  95.37  96.30  96.30  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22
GDT RMS_LOCAL    0.36   0.55   0.59   0.63   0.63   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70
GDT RMS_ALL_AT   0.72   0.71   0.71   0.71   0.71   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70

# Checking swapping
#   possible swapping detected:  F    44_A      F    44_A
#   possible swapping detected:  Y    72_A      Y    72_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  F   100_A      F   100_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    18_A      K    18_A     3.251     0    0.613   0.624    14.356   65.238   32.487
LGA    I    19_A      I    19_A     1.042     0    0.143   0.912     2.661   86.190   79.702
LGA    T    20_A      T    20_A     0.886     0    0.063   0.141     1.937   90.476   82.925
LGA    S    21_A      S    21_A     0.433     0    0.161   0.155     1.497   92.976   92.143
LGA    I    22_A      I    22_A     0.676     0    0.044   0.050     2.106   97.619   86.369
LGA    L    23_A      L    23_A     0.523     0    0.034   0.068     0.931   92.857   91.667
LGA    N    24_A      N    24_A     0.484     0    0.031   1.057     3.699   97.619   81.071
LGA    P    25_A      P    25_A     0.649     0    0.022   0.135     0.935   90.476   91.837
LGA    A    26_A      A    26_A     0.523     0    0.011   0.013     0.611   95.238   94.286
LGA    D    27_A      D    27_A     0.562     0    0.017   0.035     0.788   92.857   91.667
LGA    I    28_A      I    28_A     0.447     0    0.010   0.057     0.641   97.619   96.429
LGA    T    29_A      T    29_A     0.313     0    0.013   0.048     0.450  100.000  100.000
LGA    K    30_A      K    30_A     0.607     0    0.029   0.774     4.190   97.619   73.598
LGA    A    31_A      A    31_A     0.538     0    0.012   0.015     0.563   95.238   94.286
LGA    L    32_A      L    32_A     0.236     0    0.018   0.033     0.466  100.000  100.000
LGA    E    33_A      E    33_A     0.566     0    0.040   0.947     3.339   92.857   79.683
LGA    Q    34_A      Q    34_A     1.002     0    0.014   0.889     5.826   88.214   64.286
LGA    C    35_A      C    35_A     0.589     0    0.138   0.147     2.427   90.595   83.333
LGA    A    36_A      A    36_A     1.823     0    0.019   0.022     2.627   69.048   68.190
LGA    A    37_A      A    37_A     2.323     0    0.283   0.284     3.462   63.095   61.905
LGA    G    38_A      G    38_A     0.159     0    0.077   0.077     0.639   97.619   97.619
LGA    F    39_A      F    39_A     0.171     0    0.038   0.100     1.333  100.000   92.338
LGA    H    40_A      H    40_A     0.244     0    0.031   0.092     0.483  100.000  100.000
LGA    H    41_A      H    41_A     0.440     0    0.009   0.138     0.810  100.000   95.238
LGA    T    42_A      T    42_A     0.570     0    0.012   1.135     3.034   95.238   84.898
LGA    A    43_A      A    43_A     0.462     0    0.023   0.026     0.511  100.000   98.095
LGA    F    44_A      F    44_A     0.164     0    0.026   0.207     0.782  100.000   98.268
LGA    F    45_A      F    45_A     0.152     0    0.036   0.637     1.944  100.000   92.468
LGA    K    46_A      K    46_A     0.272     0    0.022   0.076     0.896  100.000   95.767
LGA    A    47_A      A    47_A     0.458     0    0.008   0.022     0.550   97.619   96.190
LGA    S    48_A      S    48_A     0.480     0    0.027   0.047     0.519   97.619   98.413
LGA    G    49_A      G    49_A     0.278     0    0.030   0.030     0.310  100.000  100.000
LGA    L    50_A      L    50_A     0.276     0    0.011   0.074     0.509  100.000   98.810
LGA    S    51_A      S    51_A     0.102     0    0.066   0.061     0.599   97.619   96.825
LGA    K    52_A      K    52_A     0.339     0    0.080   1.092     7.851  100.000   71.534
LGA    K    53_A      K    53_A     0.338     0    0.022   0.548     1.663  100.000   92.804
LGA    S    54_A      S    54_A     0.407     0    0.022   0.039     0.503  100.000   98.413
LGA    D    55_A      D    55_A     0.717     0    0.080   0.822     3.484   92.857   79.226
LGA    A    56_A      A    56_A     0.518     0    0.014   0.022     0.548   95.238   94.286
LGA    E    57_A      E    57_A     0.502     0    0.024   0.091     0.592   95.238   96.825
LGA    L    58_A      L    58_A     0.448     0    0.031   0.102     0.540  100.000   98.810
LGA    A    59_A      A    59_A     0.391     0    0.039   0.045     0.455  100.000  100.000
LGA    E    60_A      E    60_A     0.644     0    0.012   0.583     3.680   92.857   74.444
LGA    I    61_A      I    61_A     0.641     0    0.029   0.609     2.210   90.476   87.262
LGA    F    62_A      F    62_A     0.373     0    0.006   0.066     0.408  100.000  100.000
LGA    N    63_A      N    63_A     0.408     0    0.047   0.144     1.132   95.238   91.726
LGA    V    64_A      V    64_A     0.732     0    0.086   1.198     3.869   92.857   83.810
LGA    L    65_A      L    65_A     0.686     0    0.014   0.114     1.259   90.476   89.345
LGA    D    66_A      D    66_A     0.596     0    0.025   0.086     0.809   90.476   90.476
LGA    G    67_A      G    67_A     0.654     0    0.049   0.049     0.855   90.476   90.476
LGA    D    68_A      D    68_A     1.010     0    0.031   0.116     1.124   85.952   85.952
LGA    Q    69_A      Q    69_A     0.909     0    0.112   1.060     3.057   90.476   77.354
LGA    S    70_A      S    70_A     0.701     0    0.028   0.043     0.803   90.476   90.476
LGA    G    71_A      G    71_A     0.423     0    0.027   0.027     0.519   97.619   97.619
LGA    Y    72_A      Y    72_A     0.463     0    0.021   0.165     1.276   95.238   90.556
LGA    I    73_A      I    73_A     0.389     0    0.009   0.083     0.473  100.000  100.000
LGA    E    74_A      E    74_A     0.300     0    0.075   0.746     3.593  100.000   83.968
LGA    V    75_A      V    75_A     0.602     0    0.013   1.094     3.296   92.857   83.537
LGA    E    76_A      E    76_A     0.752     0    0.027   0.565     1.407   90.476   89.524
LGA    E    77_A      E    77_A     0.471     0    0.069   0.125     0.831   97.619   96.825
LGA    L    78_A      L    78_A     0.268     0    0.013   1.319     2.689  100.000   86.726
LGA    K    79_A      K    79_A     0.687     0    0.046   1.090     4.661   92.857   75.820
LGA    N    80_A      N    80_A     0.649     0    0.028   0.181     1.584   92.857   88.333
LGA    F    81_A      F    81_A     0.303     0    0.029   0.094     0.435  100.000  100.000
LGA    L    82_A      L    82_A     0.546     0    0.045   0.166     0.969   95.238   92.857
LGA    K    83_A      K    83_A     0.620     0    0.052   0.640     2.114   90.476   87.619
LGA    C    84_A      C    84_A     0.760     0    0.026   0.032     1.018   90.476   88.968
LGA    F    85_A      F    85_A     0.533     0    0.042   0.151     0.781   90.476   93.074
LGA    S    86_A      S    86_A     0.641     0    0.040   0.045     0.700   90.476   92.063
LGA    D    87_A      D    87_A     0.974     0    0.014   1.122     4.237   90.476   76.250
LGA    G    88_A      G    88_A     0.685     0    0.074   0.074     0.901   90.476   90.476
LGA    A    89_A      A    89_A     0.553     0    0.022   0.026     0.609   92.857   92.381
LGA    R    90_A      R    90_A     0.542     0    0.037   0.978     2.515   90.476   89.437
LGA    V    91_A      V    91_A     0.443     0    0.053   0.089     0.610   97.619   97.279
LGA    L    92_A      L    92_A     0.565     0    0.015   0.074     0.769   90.476   91.667
LGA    N    93_A      N    93_A     0.786     0    0.019   0.099     1.140   90.476   89.345
LGA    D    94_A      D    94_A     0.839     0    0.023   0.037     1.181   90.476   87.083
LGA    K    95_A      K    95_A     0.632     0    0.043   0.777     4.212   90.476   75.397
LGA    E    96_A      E    96_A     0.758     0    0.029   0.156     1.345   90.476   87.460
LGA    T    97_A      T    97_A     0.903     0    0.051   0.092     1.384   90.476   86.599
LGA    S    98_A      S    98_A     0.497     0    0.037   0.083     0.644   92.857   92.063
LGA    N    99_A      N    99_A     0.619     0    0.012   0.052     0.808   90.476   90.476
LGA    F   100_A      F   100_A     0.794     0    0.019   0.948     3.519   90.476   72.338
LGA    L   101_A      L   101_A     1.077     0    0.035   1.399     2.620   83.690   78.571
LGA    A   102_A      A   102_A     0.889     0    0.019   0.024     0.982   90.476   90.476
LGA    A   103_A      A   103_A     0.566     0    0.029   0.030     0.617   90.476   90.476
LGA    G   104_A      G   104_A     0.741     0    0.053   0.053     0.741   92.857   92.857
LGA    D   105_A      D   105_A     0.323     0    0.071   0.143     0.623   97.619   98.810
LGA    S   106_A      S   106_A     0.270     0    0.013   0.087     0.831  100.000   98.413
LGA    D   107_A      D   107_A     0.749     0    0.021   0.203     1.458   90.476   89.345
LGA    G   108_A      G   108_A     0.721     0    0.121   0.121     0.721   95.238   95.238
LGA    D   109_A      D   109_A     0.481     0    0.032   0.101     0.892   97.619   94.048
LGA    H   110_A      H   110_A     0.473     0    0.126   0.308     1.880  100.000   88.048
LGA    K   111_A      K   111_A     0.322     0    0.020   0.225     1.837  100.000   92.804
LGA    I   112_A      I   112_A     0.342     0    0.018   0.622     2.560  100.000   94.643
LGA    G   113_A      G   113_A     0.240     0    0.026   0.026     0.361  100.000  100.000
LGA    V   114_A      V   114_A     0.170     0    0.025   0.123     0.449  100.000  100.000
LGA    D   115_A      D   115_A     0.105     0    0.020   0.181     0.969  100.000   97.619
LGA    E   116_A      E   116_A     0.288     0    0.019   0.052     0.312  100.000  100.000
LGA    F   117_A      F   117_A     0.289     0    0.021   0.052     0.374  100.000  100.000
LGA    K   118_A      K   118_A     0.224     0    0.016   0.094     1.186  100.000   95.820
LGA    S   119_A      S   119_A     0.246     0    0.023   0.643     2.069  100.000   94.127
LGA    M   120_A      M   120_A     0.493     0    0.095   1.086     2.205  100.000   88.690
LGA    A   121_A      A   121_A     0.532     0    0.052   0.053     0.635   97.619   96.190
LGA    K   122_A      K   122_A     0.421     0    0.500   0.686     2.291   88.810   87.778

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     799    799  100.00               108
SUMMARY(RMSD_GDC):     0.705          0.685                  1.428           91.618   87.164

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  105  108    4.0    105    0.70    95.833    96.593    13.048

LGA_LOCAL      RMSD:   0.705  Number of atoms:  105  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.705  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   0.705  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.684683 * X  +   0.467226 * Y  +  -0.559383 * Z  +   2.250956
  Y_new =   0.388473 * X  +  -0.883334 * Y  +  -0.262317 * Z  + -27.372641
  Z_new =  -0.616683 * X  +  -0.037702 * Y  +  -0.786308 * Z  + -11.538176 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.516087  0.664522 -3.093681   [DEG:   29.5696   38.0743 -177.2549 ]
ZXZ: -1.132305  2.475607 -1.631857   [DEG:  -64.8763  141.8418  -93.4985 ]
 
# END of job
