
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:   106      12_A - 117_A       2.59     2.59
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      12_A - 115_A       1.88     2.65
  LCS_AVERAGE:     96.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      15_A - 98_A        0.98     2.69
  LONGEST_CONTINUOUS_SEGMENT:    84      16_A - 99_A        0.99     2.71
  LCS_AVERAGE:     66.33

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      4  104  106      3    3   11   12   14   26   46   93  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     D    13_A     D    13_A      4  104  106      3   12   26   65   88   94  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     P    14_A     P    14_A     43  104  106      3    3    4   26   50   93   98  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     G    15_A     G    15_A     84  104  106      3   56   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    16_A     I    16_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     N    17_A     N    17_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     R    18_A     R    18_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    19_A     K    19_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     A    20_A     A    20_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    21_A     I    21_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     N    22_A     N    22_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     F    23_A     F    23_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     D    24_A     D    24_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L    25_A     L    25_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     S    26_A     S    26_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     T    27_A     T    27_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    28_A     K    28_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     S    29_A     S    29_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L    30_A     L    30_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    31_A     E    31_A     84  104  106     34   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    32_A     K    32_A     84  104  106     19   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Y    33_A     Y    33_A     84  104  106     19   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     F    34_A     F    34_A     84  104  106     51   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    35_A     K    35_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     D    36_A     D    36_A     84  104  106     54   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     T    37_A     T    37_A     84  104  106     53   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     R    38_A     R    38_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    39_A     E    39_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     P    40_A     P    40_A     84  104  106     53   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Y    41_A     Y    41_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     S    42_A     S    42_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L    43_A     L    43_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    44_A     I    44_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    45_A     K    45_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    46_A     K    46_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     F    47_A     F    47_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     M    48_A     M    48_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L    49_A     L    49_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    50_A     E    50_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     N    51_A     N    51_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     G    52_A     G    52_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     F    53_A     F    53_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    54_A     E    54_A     84  104  106     18   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     H    55_A     H    55_A     84  104  106     54   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     R    56_A     R    56_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Q    57_A     Q    57_A     84  104  106      8   12   14   38   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Y    58_A     Y    58_A     84  104  106      3    3    9   13   21   75   97  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     S    59_A     S    59_A     84  104  106      3    3   10   18   70   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     G    60_A     G    60_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Y    61_A     Y    61_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     T    62_A     T    62_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     S    63_A     S    63_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    64_A     K    64_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    65_A     E    65_A     84  104  106     54   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     P    66_A     P    66_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    67_A     I    67_A     84  104  106     46   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     N    68_A     N    68_A     84  104  106     34   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    69_A     E    69_A     84  104  106     26   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     R    70_A     R    70_A     84  104  106     37   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     R    71_A     R    71_A     84  104  106     47   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     V    72_A     V    72_A     84  104  106     39   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    73_A     I    73_A     84  104  106     54   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     R    74_A     R    74_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    75_A     I    75_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    76_A     I    76_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     N    77_A     N    77_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    78_A     K    78_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L    79_A     L    79_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     T    80_A     T    80_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    81_A     K    81_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    82_A     K    82_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     F    83_A     F    83_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     T    84_A     T    84_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     W    85_A     W    85_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L    86_A     L    86_A     84  104  106     54   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     G    87_A     G    87_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    88_A     E    88_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     C    89_A     C    89_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     V    90_A     V    90_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K    91_A     K    91_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    92_A     E    92_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     F    93_A     F    93_A     84  104  106     57   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     D    94_A     D    94_A     84  104  106     51   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    95_A     I    95_A     84  104  106     43   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     T    96_A     T    96_A     84  104  106     43   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E    97_A     E    97_A     84  104  106     31   80   81   83   91   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I    98_A     I    98_A     84  104  106     31   80   81   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     G    99_A     G    99_A     84  104  106      3   56   81   82   89   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E   100_A     E   100_A     42  104  106      3   23   78   82   84   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Q   101_A     Q   101_A     42  104  106      3    4   26   73   85   95  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Y   102_A     Y   102_A     13  104  106      5   11   14   23   50   93  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     S   103_A     S   103_A     13  104  106      6   12   14   30   82   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L   104_A     L   104_A     13  104  106     10   12   20   49   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K   105_A     K   105_A     13  104  106     10   12   20   78   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     E   106_A     E   106_A     13  104  106     10   12   20   49   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     T   107_A     T   107_A     13  104  106     10   12   24   81   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     I   108_A     I   108_A     13  104  106     10   12   37   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     Q   109_A     Q   109_A     13  104  106     10   12   20   81   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     D   110_A     D   110_A     13  104  106     10   12   24   81   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     L   111_A     L   111_A     13  104  106     10   12   66   83   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     C   112_A     C   112_A     13  104  106     10   12   20   81   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     A   113_A     A   113_A     13  104  106      6   12   14   17   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     K   114_A     K   114_A     13  104  106     10   12   14   26   92   96  100  101  103  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     D   115_A     D   115_A      3  104  106      3    3    5    9   16   27   38   86  102  104  104  104  104  104  104  104  104  105  106  106 
LCS_GDT     F   116_A     F   116_A      3    5  106      3    3    5    5    6    8    8   10   12   19   20   23   26   37   92   95  104  105  106  106 
LCS_GDT     H   117_A     H   117_A      3    5  106      3    3    5    5    6    8    8   11   14   19   20   59   62   65   72   79   98  100  106  106 
LCS_AVERAGE  LCS_A:  87.56  (  66.33   96.35  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     57     80     81     83     92     96    100    101    103    104    104    104    104    104    104    104    104    105    106    106 
GDT PERCENT_AT  53.77  75.47  76.42  78.30  86.79  90.57  94.34  95.28  97.17  98.11  98.11  98.11  98.11  98.11  98.11  98.11  98.11  99.06 100.00 100.00
GDT RMS_LOCAL    0.33   0.49   0.52   0.67   1.23   1.36   1.50   1.57   1.75   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88   2.24   2.59   2.59
GDT RMS_ALL_AT   2.75   2.75   2.75   2.74   2.70   2.69   2.69   2.68   2.68   2.65   2.65   2.65   2.65   2.65   2.65   2.65   2.65   2.61   2.59   2.59

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   115_A      D   115_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     6.695     0    0.437   0.886    11.076   14.167    7.249
LGA    D    13_A      D    13_A     3.723     0    0.102   1.146     4.732   42.024   45.417
LGA    P    14_A      P    14_A     5.198     0    0.599   0.566     7.118   33.095   24.694
LGA    G    15_A      G    15_A     1.583     0    0.285   0.285     1.749   77.143   77.143
LGA    I    16_A      I    16_A     0.867     0    0.119   0.151     1.277   90.476   85.952
LGA    N    17_A      N    17_A     1.103     0    0.015   1.112     3.515   83.690   75.655
LGA    R    18_A      R    18_A     0.856     0    0.021   0.553     3.510   88.214   77.836
LGA    K    19_A      K    19_A     0.842     0    0.035   0.661     2.607   90.476   84.762
LGA    A    20_A      A    20_A     0.938     0    0.027   0.047     1.043   88.214   86.857
LGA    I    21_A      I    21_A     0.897     0    0.013   0.040     0.909   90.476   90.476
LGA    N    22_A      N    22_A     0.867     0    0.006   0.173     1.579   88.214   86.012
LGA    F    23_A      F    23_A     0.757     0    0.045   0.082     1.075   90.476   88.831
LGA    D    24_A      D    24_A     0.557     0    0.051   0.195     0.909   90.476   90.476
LGA    L    25_A      L    25_A     0.630     0    0.070   0.094     0.836   92.857   91.667
LGA    S    26_A      S    26_A     0.311     0    0.085   0.101     0.462  100.000  100.000
LGA    T    27_A      T    27_A     0.427     0    0.067   0.073     0.734  100.000   97.279
LGA    K    28_A      K    28_A     0.639     0    0.083   1.069     5.919   90.476   72.963
LGA    S    29_A      S    29_A     0.530     0    0.040   0.085     0.751   95.238   93.651
LGA    L    30_A      L    30_A     0.420     0    0.075   0.130     0.681   95.238   92.857
LGA    E    31_A      E    31_A     0.760     0    0.024   0.138     1.048   88.214   88.466
LGA    K    32_A      K    32_A     0.963     0    0.060   0.935     6.597   88.214   62.011
LGA    Y    33_A      Y    33_A     0.861     0    0.028   0.254     1.716   90.476   85.278
LGA    F    34_A      F    34_A     0.588     0    0.028   0.086     1.637   92.857   84.848
LGA    K    35_A      K    35_A     0.128     0    0.077   0.424     1.056  100.000   95.820
LGA    D    36_A      D    36_A     0.567     0    0.042   0.229     0.891   90.476   90.476
LGA    T    37_A      T    37_A     0.733     0    0.051   0.063     0.953   90.476   90.476
LGA    R    38_A      R    38_A     0.394     0    0.020   1.261     4.625   97.619   76.970
LGA    E    39_A      E    39_A     0.335     0    0.014   0.069     0.950  100.000   95.767
LGA    P    40_A      P    40_A     0.605     0    0.059   0.329     0.873   97.619   95.918
LGA    Y    41_A      Y    41_A     0.415     0    0.034   0.217     1.401  100.000   91.429
LGA    S    42_A      S    42_A     0.204     0    0.034   0.655     2.255  100.000   94.127
LGA    L    43_A      L    43_A     0.299     0    0.026   0.198     0.830  100.000   98.810
LGA    I    44_A      I    44_A     0.498     0    0.032   0.075     0.777  100.000   95.238
LGA    K    45_A      K    45_A     0.435     0    0.036   0.143     0.762  100.000   97.884
LGA    K    46_A      K    46_A     0.334     0    0.036   0.559     1.998  100.000   93.862
LGA    F    47_A      F    47_A     0.463     0    0.036   0.054     0.527   97.619   99.134
LGA    M    48_A      M    48_A     0.547     0    0.017   0.761     3.156   92.857   88.988
LGA    L    49_A      L    49_A     0.567     0    0.056   0.440     1.754   90.476   87.143
LGA    E    50_A      E    50_A     0.567     0    0.032   0.155     1.150   90.476   89.471
LGA    N    51_A      N    51_A     0.498     0    0.049   0.096     0.663   95.238   94.048
LGA    G    52_A      G    52_A     0.722     0    0.058   0.058     0.722   92.857   92.857
LGA    F    53_A      F    53_A     0.718     0    0.035   0.081     0.945   90.476   91.342
LGA    E    54_A      E    54_A     1.059     0    0.015   0.130     1.933   88.333   83.545
LGA    H    55_A      H    55_A     0.799     0    0.046   0.256     1.903   90.476   82.476
LGA    R    56_A      R    56_A     0.297     0    0.499   0.968     3.146   93.214   77.576
LGA    Q    57_A      Q    57_A     3.296     0    0.601   1.339     7.019   41.429   34.233
LGA    Y    58_A      Y    58_A     5.024     0    0.225   1.302    12.225   33.095   15.556
LGA    S    59_A      S    59_A     4.073     0    0.588   0.527     5.233   37.500   34.603
LGA    G    60_A      G    60_A     0.727     0    0.164   0.164     0.840   90.476   90.476
LGA    Y    61_A      Y    61_A     1.008     0    0.092   0.162     1.219   85.952   86.706
LGA    T    62_A      T    62_A     0.443     0    0.022   1.068     2.549   97.619   87.483
LGA    S    63_A      S    63_A     0.262     0    0.038   0.069     0.316  100.000  100.000
LGA    K    64_A      K    64_A     0.329     0    0.009   0.791     2.750  100.000   89.418
LGA    E    65_A      E    65_A     0.145     0    0.048   0.163     0.423  100.000  100.000
LGA    P    66_A      P    66_A     0.466     0    0.061   0.052     0.630   95.238   94.558
LGA    I    67_A      I    67_A     0.704     0    0.030   1.063     2.832   90.476   78.929
LGA    N    68_A      N    68_A     0.999     0    0.042   0.167     1.403   90.476   87.083
LGA    E    69_A      E    69_A     1.044     0    0.047   0.998     3.648   85.952   71.111
LGA    R    70_A      R    70_A     0.911     0    0.115   1.364     8.762   88.214   54.459
LGA    R    71_A      R    71_A     1.100     0    0.058   1.392     5.959   85.952   66.190
LGA    V    72_A      V    72_A     0.837     0    0.064   0.126     1.088   92.857   90.544
LGA    I    73_A      I    73_A     0.282     0    0.099   1.523     3.647   95.238   79.821
LGA    R    74_A      R    74_A     0.665     0    0.026   1.458     7.688   90.476   67.100
LGA    I    75_A      I    75_A     0.638     0    0.051   0.088     0.845   92.857   91.667
LGA    I    76_A      I    76_A     0.420     0    0.054   0.109     0.577   95.238   97.619
LGA    N    77_A      N    77_A     0.505     0    0.110   1.297     3.744   92.857   78.690
LGA    K    78_A      K    78_A     0.657     0    0.034   0.660     3.395   90.476   78.360
LGA    L    79_A      L    79_A     0.579     0    0.069   0.100     0.694   90.476   92.857
LGA    T    80_A      T    80_A     0.462     0    0.028   0.142     0.884   95.238   94.558
LGA    K    81_A      K    81_A     0.678     0    0.018   0.331     1.429   90.476   89.471
LGA    K    82_A      K    82_A     0.679     0    0.059   0.581     2.611   90.476   86.772
LGA    F    83_A      F    83_A     0.603     0    0.024   0.185     1.163   90.476   87.186
LGA    T    84_A      T    84_A     0.563     0    0.107   0.110     0.820   90.476   90.476
LGA    W    85_A      W    85_A     0.506     0    0.088   0.128     0.806   97.619   94.558
LGA    L    86_A      L    86_A     0.749     0    0.017   0.291     0.976   90.476   91.667
LGA    G    87_A      G    87_A     0.795     0    0.025   0.025     0.795   90.476   90.476
LGA    E    88_A      E    88_A     0.615     0    0.127   0.901     3.522   90.476   74.392
LGA    C    89_A      C    89_A     0.699     0    0.069   0.084     0.768   90.476   92.063
LGA    V    90_A      V    90_A     0.831     0    0.017   0.183     1.315   90.476   87.891
LGA    K    91_A      K    91_A     0.579     0    0.049   0.508     1.575   90.476   88.571
LGA    E    92_A      E    92_A     0.830     0    0.040   0.632     2.969   90.476   75.503
LGA    F    93_A      F    93_A     0.769     0    0.135   0.142     1.137   88.214   88.831
LGA    D    94_A      D    94_A     1.151     0    0.017   0.102     1.354   83.690   82.560
LGA    I    95_A      I    95_A     1.315     0    0.037   0.628     1.715   79.286   79.286
LGA    T    96_A      T    96_A     1.384     0    0.046   1.132     3.332   83.690   77.007
LGA    E    97_A      E    97_A     1.748     0    0.027   0.764     3.434   72.857   70.370
LGA    I    98_A      I    98_A     1.735     0    0.014   1.432     4.420   70.833   65.357
LGA    G    99_A      G    99_A     2.553     0    0.580   0.580     4.000   54.048   54.048
LGA    E   100_A      E   100_A     3.127     0    0.641   1.002     5.134   44.048   44.392
LGA    Q   101_A      Q   101_A     2.571     0    0.094   0.610    10.655   59.524   32.116
LGA    Y   102_A      Y   102_A     3.970     0    0.644   1.301    12.895   50.714   20.119
LGA    S   103_A      S   103_A     3.577     0    0.036   0.053     3.928   46.667   45.556
LGA    L   104_A      L   104_A     2.825     0    0.064   0.133     3.143   55.357   55.357
LGA    K   105_A      K   105_A     2.778     0    0.042   0.761     5.348   57.143   49.048
LGA    E   106_A      E   106_A     3.099     0    0.102   1.342     8.119   53.571   35.079
LGA    T   107_A      T   107_A     2.688     0    0.017   0.036     2.831   59.048   58.231
LGA    I   108_A      I   108_A     2.246     0    0.013   0.098     2.429   64.762   64.762
LGA    Q   109_A      Q   109_A     2.707     0    0.036   0.299     3.795   57.143   54.815
LGA    D   110_A      D   110_A     2.556     0    0.011   0.221     3.688   60.952   55.536
LGA    L   111_A      L   111_A     2.159     0    0.043   0.082     2.306   64.762   67.798
LGA    C   112_A      C   112_A     2.619     0    0.317   0.382     2.816   60.952   60.952
LGA    A   113_A      A   113_A     3.418     0    0.058   0.068     3.606   48.333   47.333
LGA    K   114_A      K   114_A     3.243     0    0.455   0.829    12.750   51.786   29.365
LGA    D   115_A      D   115_A     7.358     0    0.194   0.877    11.695    9.167    7.679
LGA    F   116_A      F   116_A    12.959     0    0.636   1.396    21.859    0.000    0.000
LGA    H   117_A      H   117_A    14.736     0    0.199   0.688    21.712    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     2.592          2.561                  3.643           80.438   75.004

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0    101    1.57    86.792    91.276     6.033

LGA_LOCAL      RMSD:   1.574  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.680  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.592  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.425334 * X  +   0.840420 * Y  +   0.335835 * Z  +  -8.888437
  Y_new =   0.418931 * X  +  -0.146100 * Y  +   0.896187 * Z  + -41.362839
  Z_new =   0.802239 * X  +   0.521871 * Y  +  -0.289937 * Z  +  -3.167880 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.363779 -0.931036  2.077907   [DEG:  135.4346  -53.3445  119.0553 ]
ZXZ:  2.783052  1.864957  0.994057   [DEG:  159.4572  106.8542   56.9553 ]
 
# END of job
