
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  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      22_A - 126_A       1.72     1.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.72     1.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      22_A - 89_A        0.95     1.88
  LCS_AVERAGE:     51.62

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     N    22_A     N    22_A     68  105  105      3   10   26   58   95  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     68  105  105     16   56   83   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     68  105  105     24   65   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     68  105  105     22   65   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     68  105  105     25   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     68  105  105     35   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     68  105  105     24   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     68  105  105     40   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     68  105  105     35   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     68  105  105     32   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     68  105  105     24   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     68  105  105     23   62   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     68  105  105     23   61   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     68  105  105     23   62   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     68  105  105     23   61   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     68  105  105     25   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     68  105  105     35   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     68  105  105     40   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     68  105  105     40   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     68  105  105     35   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     68  105  105     40   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     68  105  105     22   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     68  105  105     20   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     68  105  105     34   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     68  105  105     32   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     68  105  105      3    6   19   92   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     68  105  105     24   67   83   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     68  105  105     34   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     68  105  105     28   67   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     68  105  105      7   44   81   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     68  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     68  105  105      3    5   52   93   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     67  105  105      3    3    6   12   27   88  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      4  105  105      3   11   66   87   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3    4   46   66   88  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A     31  105  105      7   34   70   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A     31  105  105     12   60   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A     31  105  105     22   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A     31  105  105     19   60   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A     31  105  105     15   58   80   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     31  105  105     16   37   72   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     31  105  105      4    5   50   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     31  105  105      5   16   62   93   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     31  105  105      5   16   60   80   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     31  105  105      5   49   73   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     31  105  105     23   63   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     31  105  105      5   45   83   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     31  105  105     19   63   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     31  105  105     20   58   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     31  105  105     21   61   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     31  105  105     20   61   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     31  105  105     28   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     31  105  105     27   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     31  105  105     28   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     31  105  105     40   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     31  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     31  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     31  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     31  105  105     18   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     31  105  105     15   67   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     31  105  105     24   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     31  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     31  105  105     41   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     31  105  105     35   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     31  105  105     30   69   84   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     31  105  105      9   55   83   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     23  105  105      3    5   79   95   99  100  101  103  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  105  105      3    4    4    5   16   22   47   83  103  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4  105  105      3    4    4    5    5    5    5    6    6    9   10   12   45   64  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  83.87  (  51.62  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     41     69     84     95     99    100    101    103    103    104    104    104    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  39.05  65.71  80.00  90.48  94.29  95.24  96.19  98.10  98.10  99.05  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.59   0.82   1.02   1.12   1.15   1.21   1.33   1.33   1.42   1.42   1.42   1.42   1.42   1.72   1.72   1.72   1.72   1.72   1.72
GDT RMS_ALL_AT   2.07   1.84   1.76   1.74   1.74   1.73   1.73   1.74   1.74   1.73   1.73   1.73   1.73   1.73   1.72   1.72   1.72   1.72   1.72   1.72

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  E   114_A      E   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.901     0    0.315   0.901     5.548   48.690   41.012
LGA    K    23_A      K    23_A     1.678     0    0.145   0.772     3.926   68.929   66.085
LGA    V    24_A      V    24_A     1.079     0    0.039   0.046     1.307   81.429   84.014
LGA    H    25_A      H    25_A     1.003     0    0.068   0.096     1.440   85.952   83.238
LGA    I    26_A      I    26_A     0.734     0    0.010   1.486     3.444   90.476   77.083
LGA    I    27_A      I    27_A     0.480     0    0.030   0.080     0.717   97.619   94.048
LGA    K    28_A      K    28_A     0.295     0    0.012   0.110     1.043  100.000   95.820
LGA    C    29_A      C    29_A     0.406     0    0.030   0.085     0.778   95.238   95.238
LGA    H    30_A      H    30_A     0.573     0    0.011   0.173     0.815   90.476   90.476
LGA    F    31_A      F    31_A     0.757     0    0.030   0.067     1.063   90.476   88.009
LGA    D    32_A      D    32_A     0.650     0    0.038   0.390     1.195   90.476   90.536
LGA    K    33_A      K    33_A     0.892     0    0.027   0.875     3.810   88.214   76.720
LGA    C    34_A      C    34_A     0.845     0    0.123   0.135     0.925   90.476   90.476
LGA    N    35_A      N    35_A     0.527     0    0.022   0.207     1.316   95.238   92.917
LGA    K    36_A      K    36_A     0.376     0    0.040   0.601     2.292  100.000   85.238
LGA    S    37_A      S    37_A     0.325     0    0.022   0.052     0.404  100.000  100.000
LGA    Y    38_A      Y    38_A     0.498     0    0.069   0.135     0.982   97.619   92.857
LGA    N    39_A      N    39_A     0.497     0    0.113   0.487     2.152   97.619   90.833
LGA    W    40_A      W    40_A     0.907     0    0.031   0.122     1.025   85.952   89.184
LGA    R    41_A      R    41_A     1.297     0    0.056   1.050     4.864   81.429   68.225
LGA    K    42_A      K    42_A     1.428     0    0.011   0.806     3.709   79.286   74.339
LGA    K    43_A      K    43_A     1.581     0    0.047   0.583     5.070   79.286   66.984
LGA    Y    44_A      Y    44_A     1.481     0    0.163   0.266     3.118   81.429   67.857
LGA    G    45_A      G    45_A     0.722     0    0.033   0.033     1.109   88.214   88.214
LGA    K    46_A      K    46_A     0.398     0    0.059   0.530     2.092  100.000   90.952
LGA    L    47_A      L    47_A     0.204     0    0.022   0.122     0.726  100.000   96.429
LGA    R    48_A      R    48_A     0.236     0    0.036   0.970     4.858  100.000   75.714
LGA    L    49_A      L    49_A     0.359     0    0.011   0.037     0.458  100.000  100.000
LGA    V    50_A      V    50_A     0.422     0    0.043   0.063     0.552  100.000   98.639
LGA    D    51_A      D    51_A     0.270     0    0.032   0.143     0.759  100.000   96.429
LGA    H    52_A      H    52_A     0.373     0    0.051   0.161     1.509   97.619   88.000
LGA    A    53_A      A    53_A     0.803     0    0.019   0.031     0.924   90.476   90.476
LGA    F    54_A      F    54_A     0.706     0    0.030   0.820     3.185   95.238   73.377
LGA    T    55_A      T    55_A     0.339     0    0.048   0.077     0.636  100.000   95.918
LGA    H    56_A      H    56_A     0.537     0    0.062   0.187     1.372   92.857   88.714
LGA    V    57_A      V    57_A     0.545     0    0.177   0.164     1.440   88.333   91.973
LGA    P    58_A      P    58_A     2.275     0    0.665   0.624     3.923   61.429   60.748
LGA    H    59_A      H    59_A     1.379     0    0.110   1.075     7.500   81.429   50.333
LGA    L    60_A      L    60_A     1.299     0    0.105   0.132     2.008   79.286   76.131
LGA    K    61_A      K    61_A     0.961     0    0.020   0.891     1.765   90.476   86.614
LGA    M    62_A      M    62_A     1.041     0    0.013   0.867     3.434   81.429   77.500
LGA    K    63_A      K    63_A     1.069     0    0.024   1.102     7.433   83.690   60.847
LGA    C    64_A      C    64_A     1.262     0    0.045   0.124     1.668   79.286   80.000
LGA    N    65_A      N    65_A     1.680     0    0.068   0.184     2.181   77.143   71.964
LGA    F    66_A      F    66_A     1.314     0    0.014   0.109     1.714   81.429   79.091
LGA    C    67_A      C    67_A     1.252     0    0.057   0.095     1.348   81.429   81.429
LGA    D    68_A      D    68_A     1.370     0    0.037   0.303     2.707   81.429   75.179
LGA    Y    69_A      Y    69_A     0.950     0    0.054   0.051     1.171   83.690   92.183
LGA    M    70_A      M    70_A     1.014     0    0.085   0.235     1.858   83.690   81.488
LGA    C    71_A      C    71_A     0.862     0    0.074   0.117     1.128   88.214   88.968
LGA    K    72_A      K    72_A     0.525     0    0.077   0.683     1.932   90.476   88.677
LGA    G    73_A      G    73_A     0.802     0    0.084   0.084     0.802   95.238   95.238
LGA    I    74_A      I    74_A     0.308     0    0.036   0.092     0.696  100.000   98.810
LGA    R    75_A      R    75_A     0.324     0    0.029   0.678     2.483  100.000   81.515
LGA    N    76_A      N    76_A     0.272     0    0.045   0.083     0.721  100.000   96.429
LGA    I    77_A      I    77_A     0.268     0    0.036   0.070     0.507   97.619   98.810
LGA    R    78_A      R    78_A     0.660     0    0.018   0.244     1.261   92.857   90.519
LGA    L    79_A      L    79_A     0.649     0    0.036   1.395     3.936   90.476   77.202
LGA    H    80_A      H    80_A     0.440     0    0.077   0.196     1.071   92.857   93.381
LGA    H    81_A      H    81_A     0.595     0    0.020   1.202     5.790   92.857   67.381
LGA    K    82_A      K    82_A     0.843     0    0.091   0.554     2.661   88.214   85.767
LGA    K    83_A      K    83_A     0.502     0    0.036   0.356     2.376   95.238   86.772
LGA    S    84_A      S    84_A     0.166     0    0.009   0.050     0.474  100.000  100.000
LGA    H    85_A      H    85_A     0.787     0    0.033   0.139     1.297   88.333   89.619
LGA    P    86_A      P    86_A     1.365     0    0.094   0.098     2.125   75.119   80.408
LGA    D    87_A      D    87_A     2.209     0    0.022   1.127     6.010   68.810   50.893
LGA    E    88_A      E    88_A     1.222     0    0.258   0.303     2.122   79.286   76.720
LGA    Q    89_A      Q    89_A     2.185     0    0.617   0.991     7.877   61.190   39.735
LGA    L    90_A      L    90_A     4.232     0    0.197   1.413    11.343   45.238   24.702
LGA    T    91_A      T    91_A     2.805     0    0.021   0.827     6.070   60.952   44.830
LGA    G    92_A      G    92_A     3.888     0    0.668   0.668     4.384   45.238   45.238
LGA    F    93_A      F    93_A     2.020     0    0.517   1.294     5.224   79.762   52.944
LGA    G    94_A      G    94_A     1.131     0    0.029   0.029     1.515   83.810   83.810
LGA    I    95_A      I    95_A     0.683     0    0.091   1.079     2.911   88.214   82.917
LGA    K    96_A      K    96_A     1.307     0    0.248   0.679     4.573   77.381   67.619
LGA    S    97_A      S    97_A     1.759     0    0.209   0.264     1.874   75.000   74.286
LGA    V    98_A      V    98_A     1.885     0    0.060   0.055     2.359   70.833   68.231
LGA    V    99_A      V    99_A     2.038     0    0.080   0.079     2.507   70.833   67.143
LGA    R   100_A      R   100_A     2.424     0    0.099   0.876     4.162   59.167   55.455
LGA    T   101_A      T   101_A     3.065     0    0.021   1.039     5.892   55.357   51.293
LGA    S   102_A      S   102_A     2.158     0    0.133   0.140     2.314   70.952   68.889
LGA    K   103_A      K   103_A     0.966     0    0.099   0.079     1.584   81.548   84.497
LGA    K   104_A      K   104_A     1.634     4    0.058   0.058     2.298   75.000   40.529
LGA    G   105_A      G   105_A     1.137     0    0.161   0.161     1.202   85.952   85.952
LGA    K   106_A      K   106_A     1.372     0    0.028   1.003     4.776   81.429   67.037
LGA    D   107_A      D   107_A     1.163     0    0.092   0.088     1.688   83.690   79.345
LGA    L   108_A      L   108_A     1.059     0    0.039   1.428     4.607   85.952   68.750
LGA    A   109_A      A   109_A     0.424     0    0.067   0.080     0.719   97.619   96.190
LGA    K   110_A      K   110_A     0.480     0    0.045   0.750     2.167   95.238   84.021
LGA    V   111_A      V   111_A     0.646     0    0.050   0.856     2.391   90.476   84.286
LGA    W   112_A      W   112_A     0.325     0    0.013   0.106     1.009   97.619   93.912
LGA    D   113_A      D   113_A     0.510     0    0.077   0.939     3.734   92.857   79.583
LGA    E   114_A      E   114_A     0.825     0    0.061   0.133     1.374   88.214   85.450
LGA    C   115_A      C   115_A     0.650     0    0.026   0.041     0.845   90.476   90.476
LGA    F   116_A      F   116_A     0.862     0    0.054   0.125     1.477   90.476   85.541
LGA    K   117_A      K   117_A     1.173     0    0.026   0.640     3.460   83.690   68.466
LGA    K   118_A      K   118_A     0.920     0    0.021   0.089     1.127   90.476   88.466
LGA    N   119_A      N   119_A     0.385     0    0.058   0.067     0.560   97.619   98.810
LGA    R   120_A      R   120_A     0.677     6    0.031   0.030     0.977   95.238   42.857
LGA    V   121_A      V   121_A     0.562     0    0.057   1.181     3.327   92.857   81.293
LGA    L   122_A      L   122_A     0.775     0    0.036   0.124     1.304   85.952   88.274
LGA    Q   123_A      Q   123_A     1.681     0    0.641   0.899     4.463   64.048   58.466
LGA    H   124_A      H   124_A     2.238     0    0.538   1.240     9.719   72.976   36.143
LGA    G   125_A      G   125_A     5.376     0    0.061   0.061     9.706   20.952   20.952
LGA    S   126_A      S   126_A    10.266     0    0.227   0.720    11.473    1.786    1.429

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     1.723          1.753                  2.269           84.158   77.471

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.33    88.571    93.889     7.207

LGA_LOCAL      RMSD:   1.329  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.735  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.723  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.263967 * X  +  -0.334110 * Y  +   0.904816 * Z  +   6.297383
  Y_new =  -0.962301 * X  +  -0.154985 * Y  +   0.223508 * Z  + -25.794243
  Z_new =   0.065556 * X  +  -0.929704 * Y  +  -0.362426 * Z  +   9.774626 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.303074 -0.065603 -1.942504   [DEG:  -74.6606   -3.7588 -111.2973 ]
ZXZ:  1.812969  1.941666  3.071196   [DEG:  103.8755  111.2492  175.9666 ]
 
# END of job
