
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.04     1.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.04     1.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      11_C - 130_C       0.93     1.04
  LCS_AVERAGE:     98.91

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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    11_B     H    11_C    120  121  121     28   98  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    120  121  121     57  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    120  121  121     59  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    120  121  121     47  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    120  121  121     47  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    120  121  121     67  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    120  121  121     64  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    120  121  121     43  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    120  121  121     67  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    120  121  121     32  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    120  121  121     54  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    120  121  121     62  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    120  121  121     39  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    120  121  121      4   61  109  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    120  121  121      4   40   79  102  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    120  121  121      5   13   60  102  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    120  121  121      4   14  109  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    120  121  121     32   99  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    120  121  121     40  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    120  121  121     40  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    120  121  121     32  101  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    120  121  121     40  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    120  121  121     62  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    120  121  121     32  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    120  121  121     56  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    120  121  121     67  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    120  121  121     62  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    120  121  121     56  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    120  121  121     37  101  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    120  121  121     37  101  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    120  121  121     17   74  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    120  121  121     17   35  107  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    120  121  121     17   50  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    120  121  121     17   50  105  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    120  121  121      3   35   60  114  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    120  121  121     10   40  105  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    120  121  121     26   95  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    120  121  121     56  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    120  121  121     66  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    120  121  121     64  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    120  121  121     29  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    120  121  121     24  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    120  121  121     16  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    120  121  121     42  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    120  121  121     37  101  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    120  121  121     38  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    120  121  121     47  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    120  121  121     30  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    120  121  121     30  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    120  121  121     68  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    120  121  121     63  102  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    120  121  121     49   95  111  117  120  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     81  121  121      3    3    4   54   80  118  120  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  99.64  (  98.91  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     68    102    111    117    120    120    120    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  56.20  84.30  91.74  96.69  99.17  99.17  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.64   0.81   0.93   0.93   0.93   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04
GDT RMS_ALL_AT   1.17   1.13   1.09   1.05   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04

# Checking swapping
#   possible swapping detected:  Y    17_B      Y    17_C
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    86_B      E    86_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     1.488     0    0.142   1.545     6.288   81.548   57.286
LGA    T    12_B      T    12_C     1.183     0    0.017   1.171     3.969   83.690   76.054
LGA    D    13_B      D    13_C     1.090     0    0.036   1.146     4.215   85.952   73.036
LGA    K    14_B      K    14_C     0.508     0    0.020   0.577     3.388   95.238   86.296
LGA    L    15_B      L    15_C     0.275     0    0.040   0.135     0.962  100.000   96.429
LGA    W    16_B      W    16_C     0.687     0    0.083   0.116     1.515   90.476   85.340
LGA    Y    17_B      Y    17_C     0.685     0    0.040   0.146     0.960   90.476   90.476
LGA    I    18_B      I    18_C     0.506     0    0.009   0.077     0.551   92.857   96.429
LGA    L    19_B      L    19_C     0.534     0    0.018   0.133     0.714   92.857   92.857
LGA    Q    20_B      Q    20_C     1.036     0    0.012   1.272     4.891   83.690   68.836
LGA    E    21_B      E    21_C     1.018     0    0.014   0.800     1.981   88.214   84.497
LGA    L    22_B      L    22_C     0.685     0    0.018   0.049     0.733   90.476   90.476
LGA    T    23_B      T    23_C     0.719     0    0.052   0.162     1.027   88.214   89.184
LGA    S    24_B      S    24_C     0.765     0    0.018   0.093     0.960   90.476   90.476
LGA    N    25_B      N    25_C     0.861     0    0.069   0.198     1.911   90.476   84.881
LGA    R    26_B      R    26_C     0.575     0    0.046   0.599     1.510   95.238   86.494
LGA    G    27_B      G    27_C     0.407     0    0.026   0.026     0.483  100.000  100.000
LGA    D    28_B      D    28_C     0.612     0    0.082   1.101     3.073   90.476   83.155
LGA    I    29_B      I    29_C     0.507     0    0.035   0.074     0.577   90.476   95.238
LGA    Q    30_B      Q    30_C     0.618     0    0.024   0.130     1.419   90.476   88.466
LGA    G    31_B      G    31_C     0.350     0    0.071   0.071     0.433  100.000  100.000
LGA    C    32_B      C    32_C     0.277     0    0.044   0.113     0.663   97.619   98.413
LGA    T    33_B      T    33_C     0.379     0    0.035   0.088     0.474  100.000  100.000
LGA    I    34_B      I    34_C     0.467     0    0.029   0.064     0.740  100.000   95.238
LGA    V    35_B      V    35_C     0.321     0    0.036   1.080     2.412   97.619   88.571
LGA    T    36_B      T    36_C     0.758     0    0.034   0.063     0.982   90.476   90.476
LGA    T    37_B      T    37_C     1.208     0    0.022   0.060     1.701   81.429   78.980
LGA    Q    38_B      Q    38_C     1.094     0    0.030   1.028     4.262   85.952   73.862
LGA    G    39_B      G    39_C     0.423     0    0.136   0.136     0.789   95.238   95.238
LGA    L    40_B      L    40_C     0.527     0    0.053   1.401     4.013   92.857   78.571
LGA    P    41_B      P    41_C     0.581     0    0.050   0.326     1.119   90.476   89.184
LGA    I    42_B      I    42_C     0.558     0    0.019   0.040     0.659   92.857   91.667
LGA    T    43_B      T    43_C     0.611     0    0.059   0.074     0.756   90.476   90.476
LGA    S    44_B      S    44_C     0.591     0    0.061   0.073     1.126   92.857   90.556
LGA    L    45_B      L    45_C     0.551     0    0.034   0.751     2.873   97.619   83.512
LGA    L    46_B      L    46_C     0.776     0    0.057   0.114     1.088   85.952   87.083
LGA    A    47_B      A    47_C     1.978     0    0.023   0.023     2.511   72.976   69.810
LGA    D    48_B      D    48_C     3.009     0    0.046   0.160     4.286   51.786   46.786
LGA    D    49_B      D    49_C     3.126     0    0.153   0.964     4.082   48.333   48.452
LGA    A    50_B      A    50_C     2.066     0    0.176   0.219     2.718   64.881   64.857
LGA    N    51_B      N    51_C     1.024     0    0.073   0.618     2.977   85.952   82.917
LGA    V    52_B      V    52_C     0.613     0    0.028   0.222     1.165   92.857   90.544
LGA    S    53_B      S    53_C     0.786     0    0.009   0.654     1.709   90.476   87.540
LGA    L    54_B      L    54_C     1.032     0    0.011   1.403     3.716   88.214   77.917
LGA    I    55_B      I    55_C     0.731     0    0.018   0.661     2.485   90.476   87.262
LGA    S    56_B      S    56_C     0.558     0    0.011   0.037     0.628   90.476   90.476
LGA    A    57_B      A    57_C     0.832     0    0.012   0.021     1.140   90.476   88.667
LGA    M    58_B      M    58_C     0.730     0    0.028   1.243     5.512   92.857   76.012
LGA    S    59_B      S    59_C     0.326     0    0.012   0.029     0.412  100.000  100.000
LGA    A    60_B      A    60_C     0.290     0    0.013   0.018     0.372  100.000  100.000
LGA    A    61_B      A    61_C     0.533     0    0.000   0.008     0.654   92.857   92.381
LGA    I    62_B      I    62_C     0.507     0    0.026   0.113     0.657   92.857   92.857
LGA    I    63_B      I    63_C     0.488     0    0.026   0.166     1.345   97.619   92.917
LGA    S    64_B      S    64_C     0.313     0    0.060   0.088     0.481  100.000  100.000
LGA    V    65_B      V    65_C     0.298     0    0.035   0.042     0.790  100.000   97.279
LGA    A    66_B      A    66_C     0.310     0    0.021   0.032     0.489  100.000  100.000
LGA    E    67_B      E    67_C     0.372     0    0.025   0.368     1.255   95.238   92.698
LGA    S    68_B      S    68_C     0.669     0    0.026   0.723     2.919   92.857   86.508
LGA    A    69_B      A    69_C     0.687     0    0.012   0.014     1.121   88.214   88.667
LGA    S    70_B      S    70_C     1.518     0    0.011   0.704     1.985   75.000   74.286
LGA    Q    71_B      Q    71_C     1.937     0    0.017   1.337     3.372   70.833   69.471
LGA    E    72_B      E    72_C     1.606     0    0.030   0.914     4.637   72.857   62.910
LGA    L    73_B      L    73_C     2.003     0    0.079   0.283     2.870   64.881   69.940
LGA    Q    74_B      Q    74_C     2.782     0    0.114   0.844     7.878   59.048   38.571
LGA    R    75_B      R    75_C     2.066     0    0.058   1.512     5.983   68.810   52.641
LGA    G    76_B      G    76_C     1.269     0    0.072   0.072     1.598   77.143   77.143
LGA    Y    77_B      Y    77_C     0.370     0    0.018   0.156     0.921   97.619   92.857
LGA    L    78_B      L    78_C     0.096     0    0.064   0.129     0.441  100.000  100.000
LGA    Q    79_B      Q    79_C     0.321     0    0.052   0.946     3.344  100.000   85.608
LGA    R    80_B      R    80_C     0.362     0    0.055   0.628     1.985  100.000   85.195
LGA    I    81_B      I    81_C     0.268     0    0.051   0.179     1.027  100.000   96.488
LGA    L    82_B      L    82_C     0.142     0    0.028   0.040     0.455  100.000  100.000
LGA    L    83_B      L    83_C     0.288     0    0.066   0.858     2.747   97.619   90.060
LGA    E    84_B      E    84_C     0.622     0    0.063   0.253     1.150   92.857   91.587
LGA    G    85_B      G    85_C     0.718     0    0.099   0.099     0.768   90.476   90.476
LGA    E    86_B      E    86_C     1.481     0    0.035   0.728     1.776   79.286   84.656
LGA    L    87_B      L    87_C     1.375     0    0.084   0.096     2.095   81.429   75.119
LGA    G    88_B      G    88_C     0.720     0    0.041   0.041     0.982   90.476   90.476
LGA    T    89_B      T    89_C     0.320     0    0.026   0.079     0.418  100.000  100.000
LGA    I    90_B      I    90_C     0.313     0    0.026   0.134     1.709  100.000   91.905
LGA    I    91_B      I    91_C     0.284     0    0.010   0.081     0.511  100.000   98.810
LGA    I    92_B      I    92_C     0.526     0    0.081   0.102     0.861   92.857   92.857
LGA    S    93_B      S    93_C     0.422     0    0.035   0.730     2.601   95.238   88.095
LGA    K    94_B      K    94_C     0.372     0    0.033   0.619     2.790  100.000   80.741
LGA    A    95_B      A    95_C     0.110     0    0.515   0.477     2.343   88.810   89.143
LGA    G    96_B      G    96_C     0.798     0    0.021   0.021     1.139   88.214   88.214
LGA    P    97_B      P    97_C     0.648     0    0.080   0.369     1.012   88.214   91.905
LGA    H    98_B      H    98_C     1.282     0    0.097   1.145     4.495   83.690   71.000
LGA    A    99_B      A    99_C     0.893     0    0.054   0.056     0.981   92.857   92.381
LGA    I   100_B      I   100_C     0.429     0    0.063   1.174     2.601   97.619   83.690
LGA    L   101_B      L   101_C     0.458     0    0.019   0.068     0.664  100.000   98.810
LGA    V   102_B      V   102_C     0.467     0    0.018   0.057     0.574  100.000   97.279
LGA    S   103_B      S   103_C     0.156     0    0.039   0.700     2.384  100.000   94.127
LGA    L   104_B      L   104_C     0.238     0    0.011   1.047     2.556  100.000   90.238
LGA    V   105_B      V   105_C     0.359     0    0.018   0.114     0.490  100.000  100.000
LGA    D   106_B      D   106_C     0.663     0    0.053   0.906     2.928   90.476   80.893
LGA    K   107_B      K   107_C     0.573     0    0.086   1.107     7.614   90.476   64.127
LGA    D   108_B      D   108_C     0.927     0    0.020   0.039     1.289   88.214   84.821
LGA    A   109_B      A   109_C     0.528     0    0.095   0.140     0.629   90.476   92.381
LGA    K   110_B      K   110_C     0.882     0    0.115   1.098     6.610   90.476   71.164
LGA    L   111_B      L   111_C     0.876     0    0.045   1.392     2.914   88.214   78.810
LGA    G   112_B      G   112_C     1.087     0    0.028   0.028     1.087   85.952   85.952
LGA    I   113_B      I   113_C     0.858     0    0.049   1.084     3.324   90.476   77.143
LGA    I   114_B      I   114_C     0.546     0    0.035   0.086     0.653   92.857   96.429
LGA    L   115_B      L   115_C     0.503     0    0.024   0.066     0.665   90.476   94.048
LGA    M   116_B      M   116_C     0.803     0    0.010   1.206     6.408   90.476   73.512
LGA    L   117_B      L   117_C     0.854     0    0.024   0.153     1.317   90.476   89.345
LGA    I   118_B      I   118_C     0.746     0    0.064   0.101     0.828   90.476   91.667
LGA    D   119_B      D   119_C     0.748     0    0.065   0.914     3.110   90.476   81.012
LGA    K   120_B      K   120_C     0.715     0    0.021   0.858     4.475   90.476   72.910
LGA    A   121_B      A   121_C     0.332     0    0.025   0.025     0.511   97.619   98.095
LGA    I   122_B      I   122_C     0.425     0    0.053   1.541     3.248  100.000   83.810
LGA    K   123_B      K   123_C     0.595     0    0.009   0.776     3.936   90.476   77.037
LGA    Q   124_B      Q   124_C     0.490     0    0.009   0.238     1.276   97.619   93.704
LGA    I   125_B      I   125_C     0.405     0    0.014   0.044     0.596   95.238   97.619
LGA    A   126_B      A   126_C     0.777     0    0.003   0.014     0.938   90.476   90.476
LGA    E   127_B      E   127_C     0.651     0    0.013   0.176     1.160   90.476   89.471
LGA    L   128_B      L   128_C     0.509     0    0.034   1.065     2.547   90.476   85.476
LGA    M   129_B      M   129_C     1.074     0    0.128   0.712     4.285   83.690   72.262
LGA    D   130_B      D   130_C     1.438     0    0.638   0.895     3.071   77.143   73.214
LGA    A   131_B      A   131_C     4.945     0    0.376   0.400     7.744   21.429   19.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     1.037          1.102                  1.642           89.695   85.076

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    1.04    95.248    97.760    10.642

LGA_LOCAL      RMSD:   1.037  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.037  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.037  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.252965 * X  +   0.816155 * Y  +  -0.519519 * Z  +  26.575485
  Y_new =  -0.628779 * X  +  -0.546802 * Y  +  -0.552851 * Z  +   6.811099
  Z_new =  -0.735286 * X  +   0.186811 * Y  +   0.651502 * Z  +  66.680237 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.953293  0.826089  0.279246   [DEG: -111.9155   47.3314   15.9996 ]
ZXZ: -0.754326  0.861233 -1.321995   [DEG:  -43.2197   49.3450  -75.7447 ]
 
# END of job
