
#######################################################
#                                                     #
#                        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 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.60     1.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.60     1.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      32_B - 102_B       0.95     1.68
  LCS_AVERAGE:     38.48

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     1_B     Q     1_B     28  128  128     25   67  100  110  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     39   91  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     39   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     64   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     59   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     31   92  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     47   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128      4   43  100  110  116  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128     24   80  103  110  116  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      3    5   15   51   94  114  118  123  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      3  128  128      3    3    4    5   10   16   52   93  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  128  128      3    3   26   78  111  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     70  128  128      3    3    4   22   60  117  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     71  128  128      6   66  100  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     71  128  128     57   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     71  128  128     19   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     71  128  128     51   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     71  128  128     55   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     71  128  128     15   87  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     71  128  128     10   52   83  109  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     71  128  128     14   52  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     71  128  128     13   90  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     71  128  128     14   92  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     71  128  128     63   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     71  128  128      3   21   78  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     71  128  128     55   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     71  128  128     20   66   98  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     71  128  128      5   45  102  110  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     71  128  128      5   85  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     71  128  128     64   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     71  128  128     62   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     71  128  128     64   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     71  128  128     63   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     71  128  128     58   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     71  128  128     62   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     71  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     71  128  128     11   77  101  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     71  128  128      3   49   98  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     71  128  128      3   18   74  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      4  128  128      3    3   17   23   34   61  110  120  123  126  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      4  128  128      0    6   22   65  100  115  120  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  128  128      2   12   34   75  106  117  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      4  128  128      0    6   17   35   96  117  120  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4  128  128      3   46   92  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      4  128  128      3   41  102  110  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     19  128  128      3    8   21   61  108  117  121  123  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     19  128  128      4   19   82  109  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     19  128  128     25   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     19  128  128     64   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     19  128  128     34   93  102  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     19  128  128     15   43   99  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     19  128  128     39   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     19  128  128     33   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     19  128  128     59   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     19  128  128     64   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     19  128  128     53   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     19  128  128     26   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     19  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     19  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     19  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     19  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     19  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     19  128  128     67   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     19  128  128     39   93  103  111  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     19  128  128     17   86  103  110  117  120  121  124  125  127  127  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.49  (  38.48  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     67     93    103    111    117    120    121    124    125    127    127    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  52.34  72.66  80.47  86.72  91.41  93.75  94.53  96.88  97.66  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.49   0.62   0.89   1.00   1.10   1.14   1.32   1.36   1.50   1.50   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60
GDT RMS_ALL_AT   1.68   1.65   1.65   1.62   1.61   1.61   1.61   1.60   1.61   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    89_B      E    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.999     0    0.220   1.175     5.657   72.857   55.026
LGA    V     2_B      V     2_B     1.180     0    0.022   0.090     1.427   81.429   84.014
LGA    Q     3_B      Q     3_B     0.943     0    0.067   1.342     5.338   90.476   68.148
LGA    L     4_B      L     4_B     0.387     0    0.025   0.077     0.673   97.619   97.619
LGA    V     5_B      V     5_B     0.383     0    0.140   0.173     0.961   97.619   97.279
LGA    E     6_B      E     6_B     0.253     0    0.045   0.170     0.525  100.000   98.942
LGA    S     7_B      S     7_B     0.554     0    0.043   0.713     1.768   97.619   92.302
LGA    G     8_B      G     8_B     0.560     0    0.738   0.738     3.693   78.810   78.810
LGA    G     9_B      G     9_B     0.187     0    0.057   0.057     0.692   97.619   97.619
LGA    G    10_B      G    10_B     1.055     0    0.082   0.082     1.055   90.595   90.595
LGA    S    11_B      S    11_B     0.430     0    0.186   0.746     1.856   88.452   86.190
LGA    V    12_B      V    12_B     0.488     0    0.093   1.184     2.818  100.000   88.639
LGA    Q    13_B      Q    13_B     0.587     0    0.036   1.399     5.696   90.476   65.820
LGA    A    14_B      A    14_B     0.555     0    0.030   0.040     0.555   95.238   96.190
LGA    G    15_B      G    15_B     0.261     0    0.061   0.061     0.420  100.000  100.000
LGA    G    16_B      G    16_B     0.170     0    0.043   0.043     0.300  100.000  100.000
LGA    S    17_B      S    17_B     0.079     0    0.061   0.711     2.088  100.000   94.127
LGA    L    18_B      L    18_B     0.217     0    0.043   0.846     2.519  100.000   91.250
LGA    R    19_B      R    19_B     0.145     0    0.047   1.137     5.993  100.000   76.147
LGA    L    20_B      L    20_B     0.078     0    0.027   0.073     0.512  100.000   98.810
LGA    S    21_B      S    21_B     0.690     0    0.040   0.085     1.059   95.238   92.143
LGA    C    22_B      C    22_B     0.689     0    0.085   0.317     1.154   90.476   88.968
LGA    A    23_B      A    23_B     0.633     0    0.050   0.056     0.691   95.238   94.286
LGA    A    24_B      A    24_B     0.229     0    0.057   0.066     0.471  100.000  100.000
LGA    S    25_B      S    25_B     0.833     0    0.048   0.618     3.036   81.667   77.857
LGA    G    26_B      G    26_B     2.590     0    0.719   0.719     4.857   54.643   54.643
LGA    Y    27_B      Y    27_B     2.274     0    0.575   1.129    10.985   54.167   36.349
LGA    T    28_B      T    28_B     4.871     0    0.455   1.060     9.044   27.024   20.612
LGA    Y    29_B      Y    29_B     5.544     0    0.594   1.375    12.788   29.048   11.032
LGA    S    30_B      S    30_B     3.754     0    0.622   0.807     5.201   37.500   45.476
LGA    M    31_B      M    31_B     3.560     0    0.669   0.808    11.295   57.619   33.333
LGA    Y    32_B      Y    32_B     1.974     0    0.560   1.439    13.432   72.976   30.317
LGA    C    33_B      C    33_B     0.454     0    0.054   0.618     1.315   92.976   89.127
LGA    M    34_B      M    34_B     0.983     0    0.060   1.024     4.027   85.952   75.119
LGA    G    35_B      G    35_B     1.210     0    0.061   0.061     1.326   81.429   81.429
LGA    W    36_B      W    36_B     0.910     0    0.044   0.094     1.074   90.476   89.184
LGA    F    37_B      F    37_B     0.705     0    0.032   0.209     1.221   90.476   86.364
LGA    R    38_B      R    38_B     0.317     0    0.042   0.160     0.535   97.619   98.268
LGA    Q    39_B      Q    39_B     0.530     0    0.014   0.292     1.395   95.238   88.571
LGA    A    40_B      A    40_B     0.690     0    0.049   0.072     1.043   88.214   88.667
LGA    P    41_B      P    41_B     0.665     0    0.027   0.137     0.787   90.476   93.197
LGA    G    42_B      G    42_B     1.125     0    0.277   0.277     3.120   73.690   73.690
LGA    K    43_B      K    43_B     1.621     0    0.048   0.916     3.735   77.143   69.683
LGA    E    44_B      E    44_B     2.639     0    0.049   0.777     4.169   64.881   60.317
LGA    R    45_B      R    45_B     1.988     0    0.074   0.365     4.022   68.810   62.338
LGA    E    46_B      E    46_B     1.492     0    0.076   0.647     2.636   81.548   73.228
LGA    G    47_B      G    47_B     1.347     0    0.094   0.094     1.574   81.548   81.548
LGA    V    48_B      V    48_B     0.413     0    0.033   0.084     0.713   95.238   95.918
LGA    A    49_B      A    49_B     0.688     0    0.041   0.048     0.693   90.476   90.476
LGA    G    50_B      G    50_B     0.762     0    0.049   0.049     0.880   90.476   90.476
LGA    I    51_B      I    51_B     0.765     0    0.095   0.100     1.025   88.214   89.345
LGA    C    52_B      C    52_B     0.289     0    0.109   0.674     4.977   84.643   73.810
LGA    A    53_B      A    53_B     2.700     0    0.486   0.454     4.213   60.119   55.524
LGA    N    54_B      N    54_B     1.033     0    0.611   1.340     6.249   79.881   60.238
LGA    G    55_B      G    55_B     1.740     0    0.197   0.197     1.763   75.000   75.000
LGA    K    56_B      K    56_B     2.053     0    0.123   1.158     6.111   66.905   57.619
LGA    A    57_B      A    57_B     1.435     0    0.162   0.187     1.597   81.429   79.714
LGA    I    58_B      I    58_B     0.533     0    0.075   1.285     3.266   92.857   80.238
LGA    H    59_B      H    59_B     0.467     0    0.033   1.140     5.832   97.619   66.905
LGA    Y    60_B      Y    60_B     0.337     0    0.024   0.140     0.842   97.619   96.825
LGA    V    61_B      V    61_B     0.446     0    0.021   1.293     2.588  100.000   87.483
LGA    D    62_B      D    62_B     0.421     0    0.038   0.932     3.175  100.000   83.810
LGA    S    63_B      S    63_B     0.578     0    0.178   0.168     1.423   90.595   90.556
LGA    V    64_B      V    64_B     0.228     0    0.058   0.180     0.752  100.000   98.639
LGA    K    65_B      K    65_B     0.436     0    0.590   0.872     3.208   85.119   86.138
LGA    G    66_B      G    66_B     0.662     0    0.080   0.080     1.453   85.952   85.952
LGA    R    67_B      R    67_B     0.392     0    0.057   0.343     1.158   97.619   97.446
LGA    F    68_B      F    68_B     0.288     0    0.024   0.352     0.916  100.000   96.537
LGA    T    69_B      T    69_B     0.303     0    0.057   0.069     0.470  100.000  100.000
LGA    I    70_B      I    70_B     0.241     0    0.035   0.178     0.689   97.619   98.810
LGA    S    71_B      S    71_B     0.413     0    0.018   0.697     1.939   95.238   90.714
LGA    Q    72_B      Q    72_B     0.828     0    0.029   0.439     2.891   88.214   77.090
LGA    D    73_B      D    73_B     0.939     0    0.025   0.087     1.261   90.476   87.083
LGA    N    74_B      N    74_B     1.186     0    0.031   1.000     2.611   81.429   77.321
LGA    A    75_B      A    75_B     1.375     0    0.031   0.038     1.544   81.429   79.714
LGA    K    76_B      K    76_B     0.555     0    0.032   0.124     1.722   95.238   86.667
LGA    N    77_B      N    77_B     0.523     0    0.064   0.808     2.591   97.619   85.536
LGA    T    78_B      T    78_B     0.536     0    0.024   1.139     2.417   97.619   87.211
LGA    V    79_B      V    79_B     0.532     0    0.036   0.072     0.532   97.619   95.918
LGA    Y    80_B      Y    80_B     0.558     0    0.046   0.124     1.278   95.238   89.048
LGA    L    81_B      L    81_B     0.635     0    0.080   0.075     0.654   90.476   90.476
LGA    Q    82_B      Q    82_B     0.710     0    0.062   0.419     1.690   90.476   89.577
LGA    M    83_B      M    83_B     0.143     0    0.110   0.142     0.566   97.619   97.619
LGA    N    84_B      N    84_B     0.238     0    0.105   0.272     0.887  100.000   97.619
LGA    S    85_B      S    85_B     0.160     0    0.113   0.116     0.617   97.619   98.413
LGA    L    86_B      L    86_B     0.279     0    0.073   0.286     0.883  100.000   96.429
LGA    K    87_B      K    87_B     0.435     0    0.057   0.146     1.241  100.000   94.762
LGA    P    88_B      P    88_B     0.515     0    0.093   0.115     0.552   92.857   93.197
LGA    E    89_B      E    89_B     0.277     0    0.061   0.908     4.010  100.000   76.402
LGA    D    90_B      D    90_B     0.273     0    0.028   0.102     0.327  100.000  100.000
LGA    T    91_B      T    91_B     0.267     0    0.016   1.107     2.561  100.000   88.844
LGA    A    92_B      A    92_B     0.347     0    0.048   0.048     0.655   97.619   98.095
LGA    M    93_B      M    93_B     0.383     0    0.052   0.841     2.107  100.000   89.881
LGA    Y    94_B      Y    94_B     0.436     0    0.016   0.180     0.657  100.000   98.413
LGA    Y    95_B      Y    95_B     0.464     0    0.018   0.079     0.634   92.857   97.619
LGA    C    96_B      C    96_B     0.648     0    0.033   0.562     1.695   95.238   90.714
LGA    A    97_B      A    97_B     0.452     0    0.055   0.081     1.247   90.595   90.571
LGA    A    98_B      A    98_B     0.323     0    0.040   0.053     0.399  100.000  100.000
LGA    D    99_B      D    99_B     0.529     0    0.090   0.604     1.790   90.476   88.274
LGA    S   100_B      S   100_B     2.067     0    0.151   0.626     3.376   68.929   65.079
LGA    R   101_B      R   101_B     2.513     0    0.611   1.449     9.255   55.595   41.342
LGA    G   102_B      G   102_B     2.784     0    0.087   0.087     5.839   43.214   43.214
LGA    G   103_B      G   103_B     6.248     0    0.600   0.600     6.248   26.667   26.667
LGA    I   104_B      I   104_B     4.828     0    0.180   0.655     5.801   27.619   31.726
LGA    W   105_B      W   105_B     4.078     0    0.259   1.495     6.811   35.714   29.354
LGA    Y   106_B      Y   106_B     4.159     0    0.280   1.145    11.166   43.452   22.421
LGA    E   107_B      E   107_B     2.455     0    0.613   0.553     8.310   68.929   42.275
LGA    Q   108_B      Q   108_B     2.263     0    0.200   0.810     7.009   63.333   43.492
LGA    Q   109_B      Q   109_B     4.149     0    0.243   1.384     9.274   45.119   27.937
LGA    L   110_B      L   110_B     2.345     0    0.109   0.699     4.030   69.048   57.083
LGA    S   111_B      S   111_B     1.127     0    0.027   0.761     2.617   83.810   78.968
LGA    T   112_B      T   112_B     0.185     0    0.050   0.171     0.775   97.619   94.558
LGA    L   113_B      L   113_B     1.437     0    0.023   1.399     4.308   77.381   69.643
LGA    R   114_B      R   114_B     2.081     0    0.020   0.910     5.469   68.810   51.861
LGA    Y   115_B      Y   115_B     0.807     0    0.036   0.110     1.651   88.214   83.016
LGA    N   116_B      N   116_B     0.799     0    0.047   1.078     4.736   90.476   72.143
LGA    Y   117_B      Y   117_B     0.481     0    0.012   0.319     3.728  100.000   75.714
LGA    W   118_B      W   118_B     0.175     0    0.106   0.096     1.221   97.619   91.939
LGA    G   119_B      G   119_B     0.549     0    0.034   0.034     0.580   92.857   92.857
LGA    Q   120_B      Q   120_B     0.922     0    0.154   1.295     7.607   92.857   59.577
LGA    G   121_B      G   121_B     0.409     0    0.112   0.112     0.430  100.000  100.000
LGA    T   122_B      T   122_B     0.248     0    0.059   0.129     0.457  100.000  100.000
LGA    Q   123_B      Q   123_B     0.192     0    0.019   0.529     1.588  100.000   94.868
LGA    V   124_B      V   124_B     0.162     0    0.071   0.148     0.493  100.000  100.000
LGA    T   125_B      T   125_B     0.257     0    0.031   1.333     2.933   97.619   86.122
LGA    V   126_B      V   126_B     0.345     0    0.025   0.093     0.842   95.238   95.918
LGA    S   127_B      S   127_B     1.102     0    0.157   0.675     3.727   88.214   78.175
LGA    S   128_B      S   128_B     1.545     0    0.406   0.715     4.222   67.143   59.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.599          1.648                  2.691           85.419   79.212

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    124    1.32    89.062    93.849     8.715

LGA_LOCAL      RMSD:   1.323  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.600  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.599  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.881074 * X  +  -0.294018 * Y  +  -0.370489 * Z  +  14.777526
  Y_new =  -0.459200 * X  +   0.344052 * Y  +   0.819001 * Z  +  25.914139
  Z_new =  -0.113333 * X  +   0.891729 * Y  +  -0.438149 * Z  +  29.790068 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.661143  0.113578  2.027498   [DEG: -152.4723    6.5075  116.1671 ]
ZXZ: -2.716772  2.024334 -0.126416   [DEG: -155.6596  115.9858   -7.2431 ]
 
# END of job
