
#######################################################
#                                                     #
#                        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  110 (  922),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.26     1.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.26     1.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      37_C - 109_C       1.00     1.27
  LCS_AVERAGE:     53.49

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     L     2_C     L     2_C     28  108  108     36   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     28  108  108     38   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     28  108  108     30   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     28  108  108     30   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     28  108  108     41   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     28  108  108     41   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     28  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     28  108  108     41   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     28  108  108     35   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     28  108  108     33   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     28  108  108     33   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     28  108  108     30   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     28  108  108     27   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     28  108  108     27   58   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     28  108  108     10   58   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     28  108  108     12   58   94  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     28  108  108     12   42   72   98  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     28  108  108      3    4    8   81  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C      4  108  108      3    4   57   90  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C      4  108  108      3    4    6    9  100  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_C     N    32_C      4  108  108      3   16   28   44   55   90  106  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     27  108  108      4   21   77  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     29  108  108     14   58   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     29  108  108     14   21   89  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     29  108  108     16   23   94  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     73  108  108     16   64   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     73  108  108     16   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     73  108  108     16   27   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     73  108  108     14   21   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     73  108  108     16   60   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     73  108  108     16   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     73  108  108     16   54   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     73  108  108     16   54   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     73  108  108     16   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     73  108  108     16   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     73  108  108     16   48   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     73  108  108     16   55   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     73  108  108     16   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     73  108  108     16   65   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     73  108  108     16   55   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     73  108  108     16   55   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     73  108  108     20   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     73  108  108      6   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     73  108  108     38   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     73  108  108     38   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     73  108  108     23   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     73  108  108     38   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     73  108  108     15   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     73  108  108     15   55   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     73  108  108     23   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     73  108  108     38   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     73  108  108     15   55   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     73  108  108     23   55   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     73  108  108     23   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     73  108  108     23   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     73  108  108     23   66   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C     73  108  108     23   66   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C     73  108  108     23   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C     73  108  108     23   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C     73  108  108     13   56   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C     73  108  108      3    4    5   94  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C     73  108  108      3   61   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C     73  108  108      3    4   25   99  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C     73  108  108     23   48   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     73  108  108     37   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     73  108  108     42   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     73  108  108     41   67   94  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     73  108  108      5   67   96  101  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  84.50  (  53.49  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     42     67     96    101    103    107    107    108    108    108    108    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  38.89  62.04  88.89  93.52  95.37  99.07  99.07 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.56   0.90   0.97   1.02   1.16   1.16   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26
GDT RMS_ALL_AT   1.38   1.32   1.26   1.27   1.27   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26

# Checking swapping
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    49_C      E    49_C
#   possible swapping detected:  E    55_C      E    55_C
#   possible swapping detected:  D    56_C      D    56_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    87_C      E    87_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E   102_C      E   102_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C     0.420     0    0.059   0.427     1.825  100.000   90.833
LGA    P     3_C      P     3_C     0.211     0    0.030   0.041     0.470  100.000  100.000
LGA    D     4_C      D     4_C     0.239     0    0.055   0.076     0.534   97.619   98.810
LGA    E     5_C      E     5_C     0.470     0    0.087   0.884     3.437  100.000   83.651
LGA    E     6_C      E     6_C     0.416     0    0.059   0.489     1.352   97.619   92.698
LGA    K     7_C      K     7_C     0.446     0    0.021   0.893     3.133  100.000   81.799
LGA    L     8_C      L     8_C     0.454     0    0.047   0.111     0.722   95.238   95.238
LGA    K     9_C      K     9_C     0.474     0    0.021   0.635     1.874  100.000   91.852
LGA    L    10_C      L    10_C     0.392     0    0.007   1.282     2.604  100.000   87.917
LGA    L    11_C      L    11_C     0.553     0    0.022   0.080     0.666   90.476   94.048
LGA    D    12_C      D    12_C     0.628     0    0.030   0.216     0.997   90.476   90.476
LGA    T    13_C      T    13_C     0.754     0    0.038   0.035     0.851   90.476   90.476
LGA    L    14_C      L    14_C     0.698     0    0.010   0.163     0.963   90.476   91.667
LGA    L    15_C      L    15_C     0.565     0    0.013   0.061     0.701   90.476   92.857
LGA    T    16_C      T    16_C     0.979     0    0.038   0.949     2.021   90.476   82.993
LGA    M    17_C      M    17_C     1.009     0    0.035   1.145     3.639   88.214   78.988
LGA    V    18_C      V    18_C     0.755     0    0.018   0.083     0.786   90.476   90.476
LGA    E    19_C      E    19_C     0.792     0    0.019   0.795     3.167   90.476   80.159
LGA    W    20_C      W    20_C     1.287     0    0.038   1.578     5.913   81.429   54.456
LGA    V    21_C      V    21_C     1.295     0    0.036   0.099     1.684   81.429   80.204
LGA    K    22_C      K    22_C     0.886     0    0.009   0.444     1.469   90.476   88.466
LGA    E    23_C      E    23_C     0.942     0    0.026   0.933     2.853   85.952   76.190
LGA    L    24_C      L    24_C     1.449     0    0.010   0.192     1.723   79.286   77.143
LGA    L    25_C      L    25_C     1.495     0    0.011   0.198     1.738   77.143   80.417
LGA    E    26_C      E    26_C     1.633     0    0.040   0.311     2.110   72.976   75.767
LGA    E    27_C      E    27_C     1.958     0    0.228   0.233     2.521   75.000   68.466
LGA    S    28_C      S    28_C     2.529     0    0.119   0.132     3.812   62.976   57.540
LGA    V    29_C      V    29_C     2.770     0    0.139   1.279     5.891   60.952   53.333
LGA    E    30_C      E    30_C     2.850     0    0.570   0.902     5.277   57.262   43.704
LGA    K    31_C      K    31_C     3.115     0    0.184   0.894    10.242   53.571   30.212
LGA    N    32_C      N    32_C     4.976     0    0.101   0.132    11.269   34.881   19.048
LGA    S    33_C      S    33_C     2.243     0    0.647   0.798     4.812   72.976   61.111
LGA    R    34_C      R    34_C     1.592     0    0.069   1.190     5.749   72.857   60.519
LGA    M    35_C      M    35_C     2.304     0    0.063   1.473     9.853   70.833   46.786
LGA    R    36_C      R    36_C     1.806     0    0.016   0.999     3.961   75.000   61.255
LGA    H    37_C      H    37_C     1.091     0    0.032   0.900     2.138   81.429   78.048
LGA    I    38_C      I    38_C     1.277     0    0.048   0.096     2.700   81.429   73.155
LGA    R    39_C      R    39_C     1.685     0    0.018   0.986     3.618   75.000   66.797
LGA    A    40_C      A    40_C     1.530     0    0.028   0.030     1.763   79.286   78.000
LGA    V    41_C      V    41_C     1.150     0    0.052   0.059     1.472   81.429   81.429
LGA    M    42_C      M    42_C     1.070     0    0.026   1.132     4.100   81.429   74.940
LGA    W    43_C      W    43_C     1.263     0    0.021   0.535     2.216   81.429   77.857
LGA    A    44_C      A    44_C     1.225     0    0.009   0.023     1.267   81.429   81.429
LGA    E    45_C      E    45_C     1.043     0    0.023   0.116     1.716   85.952   82.487
LGA    Y    46_C      Y    46_C     0.923     0    0.067   0.450     2.954   85.952   74.762
LGA    M    47_C      M    47_C     1.372     0    0.030   0.604     1.625   81.429   83.750
LGA    L    48_C      L    48_C     1.337     0    0.008   1.395     4.793   81.429   64.881
LGA    E    49_C      E    49_C     1.085     0    0.011   0.912     1.947   81.429   79.524
LGA    I    50_C      I    50_C     1.034     0    0.046   0.655     3.014   81.429   77.500
LGA    A    51_C      A    51_C     1.293     0    0.063   0.069     1.554   81.429   79.714
LGA    R    52_C      R    52_C     1.318     0    0.012   0.558     3.682   81.429   70.563
LGA    S    53_C      S    53_C     0.747     0    0.033   0.664     2.693   88.214   85.000
LGA    L    54_C      L    54_C     0.785     0    0.042   0.997     3.108   90.476   83.155
LGA    E    55_C      E    55_C     0.243     0    0.046   0.760     2.840  100.000   85.344
LGA    D    56_C      D    56_C     0.542     0    0.098   0.238     1.029   90.595   89.405
LGA    E    57_C      E    57_C     1.019     0    0.097   0.870     2.158   88.214   83.651
LGA    K    58_C      K    58_C     0.483     0    0.050   1.187     5.508   95.238   78.783
LGA    I    59_C      I    59_C     0.929     0    0.014   0.658     2.014   85.952   81.607
LGA    L    60_C      L    60_C     1.259     0    0.041   1.404     4.519   81.429   73.095
LGA    E    61_C      E    61_C     0.775     0    0.015   0.161     0.986   90.476   90.476
LGA    I    62_C      I    62_C     0.558     0    0.035   0.522     2.015   90.476   87.262
LGA    A    63_C      A    63_C     1.157     0    0.013   0.013     1.438   83.690   83.238
LGA    E    64_C      E    64_C     1.305     0    0.016   0.833     4.596   81.429   64.021
LGA    K    65_C      K    65_C     0.878     0    0.031   0.698     2.815   88.214   82.063
LGA    L    66_C      L    66_C     0.825     0    0.019   0.124     0.987   90.476   90.476
LGA    E    67_C      E    67_C     1.032     0    0.011   0.223     1.999   83.690   78.624
LGA    K    68_C      K    68_C     1.049     0    0.028   1.282     7.138   83.690   61.746
LGA    A    69_C      A    69_C     0.695     0    0.143   0.153     0.789   90.476   90.476
LGA    L    70_C      L    70_C     0.899     0    0.043   0.116     2.718   88.214   77.619
LGA    P    71_C      P    71_C     1.575     0    0.092   0.138     1.830   75.000   76.531
LGA    E    72_C      E    72_C     3.051     0    0.675   0.900     4.773   48.929   46.825
LGA    K    73_C      K    73_C     1.239     0    0.536   0.575    10.430   86.190   50.000
LGA    S    74_C      S    74_C     2.566     0    0.271   0.647     3.810   61.667   56.667
LGA    K    75_C      K    75_C     1.581     0    0.318   0.924     4.929   67.143   57.619
LGA    M    76_C      M    76_C     0.769     0    0.023   0.796     5.057   92.857   72.679
LGA    F    77_C      F    77_C     0.924     0    0.110   0.629     3.148   90.476   76.753
LGA    T    78_C      T    78_C     1.075     0    0.024   0.060     1.404   83.690   82.721
LGA    K    79_C      K    79_C     0.964     0    0.012   0.713     3.256   88.214   80.952
LGA    E    80_C      E    80_C     0.867     0    0.057   0.805     1.858   90.476   83.598
LGA    E    81_C      E    81_C     0.902     0    0.039   0.600     3.276   90.476   76.614
LGA    Y    82_C      Y    82_C     0.912     0    0.019   1.319     8.173   90.476   59.643
LGA    E    83_C      E    83_C     0.737     0    0.027   0.068     1.395   92.857   89.524
LGA    K    84_C      K    84_C     0.718     0    0.010   1.100     4.939   90.476   69.683
LGA    L    85_C      L    85_C     0.750     0    0.014   1.303     2.690   90.476   81.964
LGA    M    86_C      M    86_C     0.365     0    0.018   0.787     2.026   97.619   88.690
LGA    E    87_C      E    87_C     0.241     0    0.541   0.762     4.534   86.905   67.354
LGA    V    88_C      V    88_C     0.286     0    0.050   0.110     0.610  100.000   97.279
LGA    L    89_C      L    89_C     0.182     0    0.013   0.164     0.839  100.000   98.810
LGA    E    90_C      E    90_C     0.194     0    0.011   0.848     3.882  100.000   83.386
LGA    E    91_C      E    91_C     0.197     0    0.021   0.893     2.658  100.000   86.190
LGA    L    92_C      L    92_C     0.318     0    0.055   0.146     0.552  100.000   98.810
LGA    E    93_C      E    93_C     0.314     0    0.050   0.490     1.325  100.000   95.873
LGA    E    94_C      E    94_C     0.385     0    0.040   0.084     1.239  100.000   91.693
LGA    V    95_C      V    95_C     0.333     0    0.064   0.062     0.685  100.000   95.918
LGA    L    96_C      L    96_C     0.230     0    0.025   0.093     0.294  100.000  100.000
LGA    E    97_C      E    97_C     0.413     0    0.023   0.160     1.112  100.000   94.762
LGA    E    98_C      E    98_C     0.672     0    0.031   0.106     1.376   90.476   86.455
LGA    K    99_C      K    99_C     0.492     0    0.015   0.723     2.223   97.619   92.910
LGA    K   100_C      K   100_C     0.283     0    0.046   0.119     1.609  100.000   92.804
LGA    E   101_C      E   101_C     0.560     0    0.003   0.122     1.933   97.619   88.677
LGA    E   102_C      E   102_C     0.342     0    0.039   0.812     1.972  100.000   89.841
LGA    V   103_C      V   103_C     0.338     0    0.017   0.050     0.446  100.000  100.000
LGA    E   104_C      E   104_C     0.481     0    0.024   0.347     1.641   95.238   91.693
LGA    E   105_C      E   105_C     0.539     0    0.008   0.088     0.883   92.857   91.534
LGA    R   106_C      R   106_C     0.472     0    0.005   1.298     4.864   95.238   76.883
LGA    I   107_C      I   107_C     0.829     0    0.069   0.166     1.099   88.214   88.214
LGA    E   108_C      E   108_C     1.132     0    0.387   0.952     4.427   75.357   69.630
LGA    G   109_C      G   109_C     1.030     0    0.621   0.621     3.845   65.833   65.833

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     1.256          1.256                  2.127           86.335   79.032

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  108    4.0    108    1.26    88.889    95.305     7.964

LGA_LOCAL      RMSD:   1.256  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.256  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   1.256  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.550682 * X  +  -0.551226 * Y  +  -0.626817 * Z  +  16.443686
  Y_new =  -0.193714 * X  +  -0.814828 * Y  +   0.546379 * Z  +  -3.711822
  Z_new =  -0.811926 * X  +  -0.179458 * Y  +  -0.555492 * Z  +  12.691940 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.338252  0.947444 -2.829116   [DEG:  -19.3804   54.2845 -162.0964 ]
ZXZ: -2.287738  2.159751 -1.788326   [DEG: -131.0778  123.7446 -102.4635 ]
 
# END of job
