
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , 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:   123      10_A - 132_A       3.09     3.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      13_A - 132_A       1.98     3.16
  LCS_AVERAGE:     95.30

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       0.98     3.31
  LCS_AVERAGE:     87.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      3    6  123      0    3    3    4    5    8    9   10   12   13   13   15   22   27   32   41   50   52   57   66 
LCS_GDT     S    11_A     S    11_A      3    6  123      1    3    3    4    7   13   22   31   39   47   60   68   79   95  110  118  121  122  122  122 
LCS_GDT     S    12_A     S    12_A      3    6  123      0    3    3    5    7   13   22   31   39   52   64   76   97  113  119  120  121  122  122  122 
LCS_GDT     G    13_A     G    13_A      5  120  123      3    3    5    5   10   16   27   37   50   61   73   95  110  118  119  120  121  122  122  122 
LCS_GDT     L    14_A     L    14_A      5  120  123      3    4    5    5    6    8    9   11   12   26   88  115  117  118  119  120  121  122  122  122 
LCS_GDT     V    15_A     V    15_A      5  120  123      3   10   22   35   69   96  110  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     P    16_A     P    16_A      5  120  123      2    4    5    5   25   70  107  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     R    17_A     R    17_A      5  120  123      3    4    5   31   64   95  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G    18_A     G    18_A    115  120  123      3    4    4    5    6    8    9   11   12   33   65  116  118  118  119  119  120  122  122  122 
LCS_GDT     S    19_A     S    19_A    115  120  123      3    4    4    4   34  113  114  114  114  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     H    20_A     H    20_A    115  120  123     10   77  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     M    21_A     M    21_A    115  120  123     57  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Q    22_A     Q    22_A    115  120  123     57  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E    23_A     E    23_A    115  120  123     75  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E    24_A     E    24_A    115  120  123     73  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E    25_A     E    25_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     F    26_A     F    26_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     H    27_A     H    27_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     K    28_A     K    28_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    29_A     L    29_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     A    30_A     A    30_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N    31_A     N    31_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     F    32_A     F    32_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     T    33_A     T    33_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     I    34_A     I    34_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N    35_A     N    35_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     H    36_A     H    36_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    37_A     L    37_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    38_A     L    38_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E    39_A     E    39_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     K    40_A     K    40_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     I    41_A     I    41_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E    42_A     E    42_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D    43_A     D    43_A    115  120  123     76  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Y    44_A     Y    44_A    115  120  123     72  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G    45_A     G    45_A    115  120  123     59  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D    46_A     D    46_A    115  120  123     76  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N    47_A     N    47_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     V    48_A     V    48_A    115  120  123     11  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Q    49_A     Q    49_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     I    50_A     I    50_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D    51_A     D    51_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G    52_A     G    52_A    115  120  123     75  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     F    53_A     F    53_A    115  120  123     76  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D    54_A     D    54_A    115  120  123     76  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     I    55_A     I    55_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D    56_A     D    56_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Y    57_A     Y    57_A    115  120  123     75  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G    58_A     G    58_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N    59_A     N    59_A    115  120  123     75  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E    60_A     E    60_A    115  120  123     65  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     V    61_A     V    61_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    62_A     L    62_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     T    63_A     T    63_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    64_A     L    64_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     K    65_A     K    65_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    66_A     L    66_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G    67_A     G    67_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     S    68_A     S    68_A    115  120  123     50  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    69_A     L    69_A    115  120  123     48  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G    70_A     G    70_A    115  120  123     50  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     T    71_A     T    71_A    115  120  123     76  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Y    72_A     Y    72_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     V    73_A     V    73_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L    74_A     L    74_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N    75_A     N    75_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     K    76_A     K    76_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Q    77_A     Q    77_A    115  120  123     75  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     T    78_A     T    78_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     P    79_A     P    79_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N    80_A     N    80_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     R    81_A     R    81_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Q    82_A     Q    82_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     I    83_A     I    83_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     W    84_A     W    84_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     M    85_A     M    85_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     S    86_A     S    86_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     S    87_A     S    87_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     P    88_A     P    88_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     V    89_A     V    89_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     S    90_A     S    90_A    115  120  123     75  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G    91_A     G    91_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     P    92_A     P    92_A    115  120  123     76  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     S    93_A     S    93_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     R    94_A     R    94_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     F    95_A     F    95_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D    96_A     D    96_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     W    97_A     W    97_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D    98_A     D    98_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     R    99_A     R    99_A    115  120  123     33  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     D   100_A     D   100_A    115  120  123     39  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     A   101_A     A   101_A    115  120  123     39  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N   102_A     N   102_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     A   103_A     A   103_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     W   104_A     W   104_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     I   105_A     I   105_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Y   106_A     Y   106_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     R   107_A     R   107_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     R   108_A     R   108_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     T   109_A     T   109_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E   110_A     E   110_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     A   111_A     A   111_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     K   112_A     K   112_A    115  120  123     77  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L   113_A     L   113_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     H   114_A     H   114_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     K   115_A     K   115_A    115  120  123     43  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L   116_A     L   116_A    115  120  123     43  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L   117_A     L   117_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E   118_A     E   118_A    115  120  123     39  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E   119_A     E   119_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E   120_A     E   120_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L   121_A     L   121_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E   122_A     E   122_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     N   123_A     N   123_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L   124_A     L   124_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     C   125_A     C   125_A    115  120  123     76  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     G   126_A     G   126_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     E   127_A     E   127_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     P   128_A     P   128_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     I   129_A     I   129_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     Q   130_A     Q   130_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     L   131_A     L   131_A    115  120  123     80  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_GDT     S   132_A     S   132_A    115  120  123     34  112  113  113  113  113  114  115  116  116  117  117  118  118  119  120  121  122  122  122 
LCS_AVERAGE  LCS_A:  94.31  (  87.64   95.30  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     80    112    113    113    113    113    114    115    116    116    117    117    118    118    119    120    121    122    122    122 
GDT PERCENT_AT  65.04  91.06  91.87  91.87  91.87  91.87  92.68  93.50  94.31  94.31  95.12  95.12  95.93  95.93  96.75  97.56  98.37  99.19  99.19  99.19
GDT RMS_LOCAL    0.36   0.46   0.51   0.51   0.51   0.51   0.64   0.96   1.11   1.11   1.18   1.18   1.38   1.38   1.69   2.18   2.49   2.58   2.58   2.58
GDT RMS_ALL_AT   3.33   3.32   3.30   3.30   3.30   3.30   3.32   3.24   3.22   3.22   3.23   3.23   3.23   3.23   3.20   3.13   3.10   3.10   3.10   3.10

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    42_A      E    42_A
#   possible swapping detected:  D    43_A      D    43_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  D    54_A      D    54_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  D    96_A      D    96_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   120_A      E   120_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    20.220     0    0.426   0.902    28.725    0.000    0.000
LGA    S    11_A      S    11_A    14.410     0    0.627   0.658    16.035    0.000    0.000
LGA    S    12_A      S    12_A    13.678     0    0.172   0.640    14.268    0.000    0.000
LGA    G    13_A      G    13_A    11.710     0    0.449   0.449    11.980    0.000    0.000
LGA    L    14_A      L    14_A    10.927     3    0.037   0.042    12.085    2.500    1.250
LGA    V    15_A      V    15_A     6.458     0    0.024   0.299     9.805   15.714   11.088
LGA    P    16_A      P    16_A     6.158     0    0.033   0.177     7.510   21.548   18.980
LGA    R    17_A      R    17_A     5.438     6    0.654   0.611     6.617   20.595    9.437
LGA    G    18_A      G    18_A     7.977     0    0.046   0.046     7.977   11.905   11.905
LGA    S    19_A      S    19_A     4.450     0    0.492   0.447     5.516   44.167   39.206
LGA    H    20_A      H    20_A     1.933     5    0.555   0.500     4.434   77.143   34.571
LGA    M    21_A      M    21_A     0.541     0    0.017   0.101     0.825   95.238   95.238
LGA    Q    22_A      Q    22_A     0.569     0    0.011   0.911     3.052   92.857   81.164
LGA    E    23_A      E    23_A     0.390     0    0.033   0.209     0.567   97.619   98.942
LGA    E    24_A      E    24_A     0.660     4    0.019   0.022     0.777   90.476   50.265
LGA    E    25_A      E    25_A     0.509     0    0.043   0.153     0.662   92.857   93.651
LGA    F    26_A      F    26_A     0.379     0    0.067   0.104     0.606  100.000   97.403
LGA    H    27_A      H    27_A     0.675     0    0.024   0.023     0.762   90.476   90.476
LGA    K    28_A      K    28_A     0.670     0    0.026   0.961     3.891   92.857   79.630
LGA    L    29_A      L    29_A     0.515     0    0.012   0.034     0.610   92.857   96.429
LGA    A    30_A      A    30_A     0.536     0    0.021   0.022     0.544   90.476   90.476
LGA    N    31_A      N    31_A     0.512     0    0.027   0.257     0.913   90.476   92.857
LGA    F    32_A      F    32_A     0.473     0    0.018   0.259     1.524  100.000   88.268
LGA    T    33_A      T    33_A     0.617     0    0.028   0.060     0.888   90.476   90.476
LGA    I    34_A      I    34_A     0.545     0    0.032   0.068     0.733   95.238   94.048
LGA    N    35_A      N    35_A     0.471     0    0.011   0.882     3.975   97.619   80.774
LGA    H    36_A      H    36_A     0.460     0    0.013   0.043     0.667   97.619   93.333
LGA    L    37_A      L    37_A     0.341     0    0.018   0.043     0.589  100.000   98.810
LGA    L    38_A      L    38_A     0.191     0    0.048   0.050     0.316  100.000  100.000
LGA    E    39_A      E    39_A     0.286     0    0.037   0.674     3.444  100.000   85.556
LGA    K    40_A      K    40_A     0.392     0    0.031   0.466     1.384  100.000   93.757
LGA    I    41_A      I    41_A     0.166     0    0.070   0.161     0.657  100.000   97.619
LGA    E    42_A      E    42_A     0.239     0    0.019   0.660     2.381  100.000   89.947
LGA    D    43_A      D    43_A     0.694     0    0.035   0.122     1.136   90.476   89.345
LGA    Y    44_A      Y    44_A     0.775     0    0.023   0.153     0.819   90.476   92.857
LGA    G    45_A      G    45_A     0.778     0    0.021   0.021     0.784   90.476   90.476
LGA    D    46_A      D    46_A     0.689     0    0.028   0.054     1.031   90.476   89.345
LGA    N    47_A      N    47_A     0.463     0    0.020   0.196     0.705   97.619   96.429
LGA    V    48_A      V    48_A     0.823     0    0.052   0.917     3.007   92.857   80.000
LGA    Q    49_A      Q    49_A     0.630     0    0.051   1.047     5.348   95.238   73.704
LGA    I    50_A      I    50_A     0.410     0    0.023   0.648     2.067   97.619   94.405
LGA    D    51_A      D    51_A     0.457     0    0.027   0.765     3.419   95.238   80.714
LGA    G    52_A      G    52_A     0.567     0    0.038   0.038     0.608   90.476   90.476
LGA    F    53_A      F    53_A     0.575     0    0.030   0.081     0.772   90.476   90.476
LGA    D    54_A      D    54_A     0.614     0    0.129   0.296     1.106   90.595   88.274
LGA    I    55_A      I    55_A     0.348     0    0.036   0.056     0.440  100.000  100.000
LGA    D    56_A      D    56_A     0.229     0    0.058   0.139     0.920  100.000   96.429
LGA    Y    57_A      Y    57_A     0.482     0    0.111   0.199     1.332   95.238   91.389
LGA    G    58_A      G    58_A     0.442     0    0.059   0.059     0.719   95.238   95.238
LGA    N    59_A      N    59_A     0.455     0    0.044   0.987     2.521   97.619   88.869
LGA    E    60_A      E    60_A     0.561     0    0.065   0.123     0.663   95.238   95.767
LGA    V    61_A      V    61_A     0.360     0    0.063   1.158     2.640  100.000   88.844
LGA    L    62_A      L    62_A     0.329     0    0.044   0.651     1.621  100.000   93.214
LGA    T    63_A      T    63_A     0.224     0    0.020   0.143     0.740  100.000   98.639
LGA    L    64_A      L    64_A     0.309     0    0.022   0.030     0.417  100.000  100.000
LGA    K    65_A      K    65_A     0.447     0    0.027   1.070     4.013   97.619   85.132
LGA    L    66_A      L    66_A     0.256     0    0.031   0.133     0.413  100.000  100.000
LGA    G    67_A      G    67_A     0.330     0    0.056   0.056     0.495  100.000  100.000
LGA    S    68_A      S    68_A     0.786     0    0.055   0.607     3.162   90.476   83.730
LGA    L    69_A      L    69_A     0.888     0    0.025   0.064     1.131   88.214   89.345
LGA    G    70_A      G    70_A     0.810     0    0.018   0.018     0.810   90.476   90.476
LGA    T    71_A      T    71_A     0.450     0    0.017   0.035     0.537   97.619   97.279
LGA    Y    72_A      Y    72_A     0.212     0    0.025   0.067     0.483  100.000  100.000
LGA    V    73_A      V    73_A     0.257     0    0.013   0.016     0.400  100.000  100.000
LGA    L    74_A      L    74_A     0.234     0    0.037   0.179     0.584  100.000   98.810
LGA    N    75_A      N    75_A     0.177     0    0.029   1.088     2.295  100.000   91.190
LGA    K    76_A      K    76_A     0.183     0    0.009   0.398     1.573  100.000   95.926
LGA    Q    77_A      Q    77_A     0.365     0    0.067   1.087     4.069  100.000   84.815
LGA    T    78_A      T    78_A     0.266     0    0.054   0.056     0.474  100.000  100.000
LGA    P    79_A      P    79_A     0.305     0    0.037   0.050     0.493  100.000  100.000
LGA    N    80_A      N    80_A     0.222     0    0.033   0.315     0.906  100.000   97.619
LGA    R    81_A      R    81_A     0.535     0    0.028   1.025     3.420   97.619   87.792
LGA    Q    82_A      Q    82_A     0.335     0    0.038   0.131     0.580  100.000   98.942
LGA    I    83_A      I    83_A     0.312     0    0.022   0.026     0.384  100.000  100.000
LGA    W    84_A      W    84_A     0.280     0    0.014   1.108     8.045  100.000   52.653
LGA    M    85_A      M    85_A     0.146     0    0.028   0.234     0.933  100.000   98.810
LGA    S    86_A      S    86_A     0.218     0    0.063   0.089     0.429  100.000  100.000
LGA    S    87_A      S    87_A     0.149     0    0.014   0.017     0.241  100.000  100.000
LGA    P    88_A      P    88_A     0.111     0    0.018   0.043     0.145  100.000  100.000
LGA    V    89_A      V    89_A     0.172     0    0.091   0.154     0.439  100.000  100.000
LGA    S    90_A      S    90_A     0.370     0    0.054   0.060     0.491  100.000  100.000
LGA    G    91_A      G    91_A     0.247     0    0.119   0.119     0.489  100.000  100.000
LGA    P    92_A      P    92_A     0.748     0    0.029   0.065     1.329   90.476   86.599
LGA    S    93_A      S    93_A     0.530     0    0.046   0.587     1.879   92.857   90.714
LGA    R    94_A      R    94_A     0.581     0    0.086   0.354     1.645   90.476   87.229
LGA    F    95_A      F    95_A     0.605     0    0.020   0.046     0.695   90.476   90.476
LGA    D    96_A      D    96_A     0.724     0    0.046   0.154     1.038   90.476   89.345
LGA    W    97_A      W    97_A     0.831     0    0.016   0.034     0.857   90.476   90.476
LGA    D    98_A      D    98_A     0.810     0    0.061   0.096     0.905   90.476   90.476
LGA    R    99_A      R    99_A     0.980     0    0.078   0.818     2.638   88.214   84.978
LGA    D   100_A      D   100_A     0.827     0    0.049   0.149     1.385   90.476   87.083
LGA    A   101_A      A   101_A     0.816     0    0.046   0.043     0.977   90.476   90.476
LGA    N   102_A      N   102_A     0.649     0    0.019   1.361     4.577   90.476   73.036
LGA    A   103_A      A   103_A     0.609     0    0.029   0.039     0.618   90.476   90.476
LGA    W   104_A      W   104_A     0.653     0    0.065   0.106     0.972   90.476   90.476
LGA    I   105_A      I   105_A     0.438     0    0.010   0.586     2.381  100.000   95.595
LGA    Y   106_A      Y   106_A     0.396     0    0.026   0.122     0.510  100.000   99.206
LGA    R   107_A      R   107_A     0.698     0    0.052   0.500     1.216   90.476   91.429
LGA    R   108_A      R   108_A     0.454     0    0.080   0.673     2.476   97.619   79.784
LGA    T   109_A      T   109_A     0.546     0    0.043   0.081     0.654   90.476   91.837
LGA    E   110_A      E   110_A     0.482     0    0.024   0.353     0.950   95.238   95.767
LGA    A   111_A      A   111_A     0.599     0    0.015   0.022     0.617   90.476   90.476
LGA    K   112_A      K   112_A     0.725     0    0.037   0.160     0.890   90.476   90.476
LGA    L   113_A      L   113_A     0.727     0    0.024   0.034     0.773   90.476   90.476
LGA    H   114_A      H   114_A     0.509     0    0.032   1.125     5.900   90.476   64.048
LGA    K   115_A      K   115_A     0.768     0    0.040   0.705     3.928   90.476   80.423
LGA    L   116_A      L   116_A     0.729     0    0.027   0.093     1.145   90.476   89.345
LGA    L   117_A      L   117_A     0.591     0    0.039   0.041     0.673   90.476   91.667
LGA    E   118_A      E   118_A     0.653     0    0.024   0.115     0.894   90.476   90.476
LGA    E   119_A      E   119_A     0.582     0    0.029   1.184     4.882   90.476   72.963
LGA    E   120_A      E   120_A     0.558     0    0.028   0.184     0.959   95.238   92.593
LGA    L   121_A      L   121_A     0.428     0    0.028   0.038     0.474  100.000  100.000
LGA    E   122_A      E   122_A     0.498     0    0.033   0.232     1.479   95.238   91.587
LGA    N   123_A      N   123_A     0.507     0    0.031   0.101     0.741   95.238   94.048
LGA    L   124_A      L   124_A     0.363     0    0.015   0.145     0.523  100.000   98.810
LGA    C   125_A      C   125_A     0.547     0    0.076   0.091     0.813   97.619   95.238
LGA    G   126_A      G   126_A     0.353     0    0.087   0.087     0.417  100.000  100.000
LGA    E   127_A      E   127_A     0.425     0    0.051   0.423     1.198  100.000   94.815
LGA    P   128_A      P   128_A     0.357     0    0.042   0.059     0.398  100.000  100.000
LGA    I   129_A      I   129_A     0.453     0    0.033   0.055     0.641   92.857   96.429
LGA    Q   130_A      Q   130_A     0.390     0    0.037   0.591     1.991  100.000   88.889
LGA    L   131_A      L   131_A     0.279     0    0.080   0.089     0.769   97.619   96.429
LGA    S   132_A      S   132_A     0.735     0    0.316   0.325     1.351   90.595   90.556

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     3.095          2.990                  3.307           88.511   84.213

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    115    0.96    93.496    93.883    10.853

LGA_LOCAL      RMSD:   0.960  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.235  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.095  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.442615 * X  +   0.580710 * Y  +  -0.683277 * Z  +  -6.982179
  Y_new =  -0.896499 * X  +  -0.269993 * Y  +   0.351272 * Z  + -29.508385
  Z_new =   0.019507 * X  +   0.768036 * Y  +   0.640109 * Z  +   9.855118 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.029403 -0.019508  0.875998   [DEG: -116.2762   -1.1177   50.1910 ]
ZXZ: -2.045660  0.876156  0.025393   [DEG: -117.2077   50.2000    1.4549 ]
 
# END of job
