
#######################################################
#                                                     #
#                        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       0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.86     0.86
  LCS_AVERAGE:    100.00

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    121  121  121     54  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     73  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     63  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     73  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121     24   96  112  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      4    4    4   17  109  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121     45  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121      6   85  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     52  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     51  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     71  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     73  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     27  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     44  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121     31   98  112  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     48  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     48  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     71  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     48  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     64  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     71  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     64  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     71  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     73  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     71  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     71  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     10  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     71  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121     30  102  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121     12   85  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121     12   85  111  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121     15   80  112  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     37  102  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     73  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     70  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     23  102  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     35  102  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121     24   85  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121      5   78  112  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     35   87  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     40  102  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     70  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     75  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     73  103  114  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      0    4    4   84  102  113  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     75    103    114    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  61.98  85.12  94.21  98.35  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.47   0.63   0.73   0.73   0.78   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86
GDT RMS_ALL_AT   0.88   0.90   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.720     0    0.188   1.162     5.303   92.857   69.048
LGA    T    12_B      T    12_C     0.303     0    0.033   1.121     2.624  100.000   87.755
LGA    D    13_B      D    13_C     0.141     0    0.048   1.186     4.439  100.000   83.333
LGA    K    14_B      K    14_C     0.113     0    0.023   0.581     3.180  100.000   88.413
LGA    L    15_B      L    15_C     0.149     0    0.031   0.122     0.454  100.000  100.000
LGA    W    16_B      W    16_C     0.224     0    0.064   0.168     1.325  100.000   91.939
LGA    Y    17_B      Y    17_C     0.176     0    0.029   0.159     1.114  100.000   95.317
LGA    I    18_B      I    18_C     0.282     0    0.017   0.060     0.340  100.000  100.000
LGA    L    19_B      L    19_C     0.302     0    0.027   0.051     0.402  100.000  100.000
LGA    Q    20_B      Q    20_C     0.366     0    0.052   1.401     4.482  100.000   78.730
LGA    E    21_B      E    21_C     0.504     0    0.009   1.028     5.183   95.238   72.011
LGA    L    22_B      L    22_C     0.722     0    0.017   1.379     3.164   90.476   81.071
LGA    T    23_B      T    23_C     0.656     0    0.035   0.060     0.840   90.476   90.476
LGA    S    24_B      S    24_C     0.521     0    0.072   0.096     1.381   92.857   89.048
LGA    N    25_B      N    25_C     1.772     0    0.463   0.919     6.464   69.286   52.083
LGA    R    26_B      R    26_C     3.112     0    0.596   1.365     7.735   52.262   34.502
LGA    G    27_B      G    27_C     0.904     0    0.115   0.115     1.140   88.214   88.214
LGA    D    28_B      D    28_C     1.528     0    0.164   0.953     2.590   81.548   72.262
LGA    I    29_B      I    29_C     0.690     0    0.050   0.078     1.154   90.476   89.345
LGA    Q    30_B      Q    30_C     0.741     0    0.075   0.143     1.927   95.238   84.709
LGA    G    31_B      G    31_C     0.302     0    0.039   0.039     0.432  100.000  100.000
LGA    C    32_B      C    32_C     0.357     0    0.021   0.795     2.148  100.000   92.540
LGA    T    33_B      T    33_C     0.181     0    0.035   0.112     0.406  100.000  100.000
LGA    I    34_B      I    34_C     0.164     0    0.011   0.067     0.254  100.000  100.000
LGA    V    35_B      V    35_C     0.037     0    0.018   0.060     0.152  100.000  100.000
LGA    T    36_B      T    36_C     0.285     0    0.040   0.065     0.464  100.000  100.000
LGA    T    37_B      T    37_C     0.266     0    0.035   0.074     0.912  100.000   95.918
LGA    Q    38_B      Q    38_C     0.485     0    0.062   1.017     4.159   95.238   85.767
LGA    G    39_B      G    39_C     0.498     0    0.019   0.019     0.754   95.238   95.238
LGA    L    40_B      L    40_C     0.719     0    0.029   0.058     1.497   95.238   89.464
LGA    P    41_B      P    41_C     0.362     0    0.013   0.040     0.683  100.000   97.279
LGA    I    42_B      I    42_C     0.457     0    0.026   0.118     0.493  100.000  100.000
LGA    T    43_B      T    43_C     0.412     0    0.031   0.049     0.457  100.000  100.000
LGA    S    44_B      S    44_C     0.365     0    0.047   0.591     2.297   95.238   90.952
LGA    L    45_B      L    45_C     0.682     0    0.186   0.724     2.289   92.857   87.321
LGA    L    46_B      L    46_C     1.095     0    0.013   0.082     1.344   81.429   82.560
LGA    A    47_B      A    47_C     1.073     0    0.021   0.029     1.300   85.952   85.048
LGA    D    48_B      D    48_C     0.494     0    0.043   0.096     1.264   88.333   91.786
LGA    D    49_B      D    49_C     1.805     0    0.112   0.822     2.450   77.143   76.250
LGA    A    50_B      A    50_C     1.252     0    0.110   0.127     1.371   81.429   81.429
LGA    N    51_B      N    51_C     1.269     0    0.113   0.141     1.778   81.429   80.357
LGA    V    52_B      V    52_C     0.512     0    0.029   0.078     0.706   90.476   93.197
LGA    S    53_B      S    53_C     0.895     0    0.017   0.652     3.213   85.952   80.714
LGA    L    54_B      L    54_C     1.327     0    0.041   0.120     1.894   81.429   78.214
LGA    I    55_B      I    55_C     1.083     0    0.030   0.026     1.326   85.952   84.821
LGA    S    56_B      S    56_C     0.789     0    0.040   0.055     0.880   90.476   90.476
LGA    A    57_B      A    57_C     0.984     0    0.013   0.019     1.041   88.214   86.857
LGA    M    58_B      M    58_C     0.885     0    0.031   0.874     3.029   90.476   80.119
LGA    S    59_B      S    59_C     0.643     0    0.020   0.615     2.666   92.857   88.095
LGA    A    60_B      A    60_C     0.647     0    0.027   0.035     0.730   90.476   90.476
LGA    A    61_B      A    61_C     0.864     0    0.012   0.015     1.042   90.476   88.667
LGA    I    62_B      I    62_C     0.699     0    0.029   0.154     1.139   92.857   90.536
LGA    I    63_B      I    63_C     0.300     0    0.027   0.564     1.498  100.000   96.488
LGA    S    64_B      S    64_C     0.487     0    0.046   0.729     2.311   95.238   89.365
LGA    V    65_B      V    65_C     0.450     0    0.022   0.069     0.555   97.619   97.279
LGA    A    66_B      A    66_C     0.378     0    0.016   0.022     0.445  100.000  100.000
LGA    E    67_B      E    67_C     0.428     0    0.019   1.204     4.687  100.000   81.587
LGA    S    68_B      S    68_C     0.363     0    0.022   0.748     2.358  100.000   94.127
LGA    A    69_B      A    69_C     0.209     0    0.016   0.017     0.329  100.000  100.000
LGA    S    70_B      S    70_C     0.448     0    0.016   0.067     0.634  100.000   98.413
LGA    Q    71_B      Q    71_C     0.658     0    0.034   0.690     3.377   92.857   75.926
LGA    E    72_B      E    72_C     0.518     0    0.072   0.683     2.589   95.238   80.529
LGA    L    73_B      L    73_C     0.226     0    0.074   0.280     0.957  100.000   97.619
LGA    Q    74_B      Q    74_C     0.361     0    0.071   0.179     2.197  100.000   87.884
LGA    R    75_B      R    75_C     0.412     0    0.092   1.218     2.872  100.000   84.459
LGA    G    76_B      G    76_C     0.439     0    0.084   0.084     0.492  100.000  100.000
LGA    Y    77_B      Y    77_C     1.056     0    0.077   1.277     8.620   88.214   53.413
LGA    L    78_B      L    78_C     0.293     0    0.117   0.192     0.648   95.238   95.238
LGA    Q    79_B      Q    79_C     0.499     0    0.040   0.983     3.289  100.000   87.196
LGA    R    80_B      R    80_C     0.657     0    0.080   0.845     3.412   92.857   82.771
LGA    I    81_B      I    81_C     0.637     0    0.014   0.691     2.908   90.476   86.310
LGA    L    82_B      L    82_C     0.412     0    0.051   0.144     1.253   97.619   92.917
LGA    L    83_B      L    83_C     0.345     0    0.056   0.813     1.915  100.000   93.214
LGA    E    84_B      E    84_C     0.172     0    0.068   0.202     1.512   97.619   93.810
LGA    G    85_B      G    85_C     1.053     0    0.017   0.017     1.147   83.690   83.690
LGA    E    86_B      E    86_C     1.526     0    0.075   0.795     4.614   75.000   60.106
LGA    L    87_B      L    87_C     1.984     0    0.032   0.049     2.797   70.833   65.893
LGA    G    88_B      G    88_C     1.873     0    0.043   0.043     1.876   75.000   75.000
LGA    T    89_B      T    89_C     1.011     0    0.060   0.137     1.405   83.690   84.014
LGA    I    90_B      I    90_C     0.381     0    0.005   0.061     0.566  100.000   96.429
LGA    I    91_B      I    91_C     0.157     0    0.043   0.072     0.700  100.000   98.810
LGA    I    92_B      I    92_C     0.439     0    0.019   0.037     0.498  100.000  100.000
LGA    S    93_B      S    93_C     0.440     0    0.018   0.138     0.756  100.000   98.413
LGA    K    94_B      K    94_C     0.244     0    0.017   0.402     2.068  100.000   94.021
LGA    A    95_B      A    95_C     0.245     0    0.036   0.051     0.467  100.000  100.000
LGA    G    96_B      G    96_C     0.333     0    0.076   0.076     0.633   97.619   97.619
LGA    P    97_B      P    97_C     0.201     0    0.049   0.056     0.268  100.000  100.000
LGA    H    98_B      H    98_C     0.260     0    0.046   1.142     2.919  100.000   89.381
LGA    A    99_B      A    99_C     0.198     0    0.047   0.053     0.436  100.000  100.000
LGA    I   100_B      I   100_C     0.397     0    0.048   1.199     2.781  100.000   84.643
LGA    L   101_B      L   101_C     0.214     0    0.024   0.065     0.273  100.000  100.000
LGA    V   102_B      V   102_C     0.203     0    0.012   0.039     0.407  100.000  100.000
LGA    S   103_B      S   103_C     0.128     0    0.044   0.073     0.244  100.000  100.000
LGA    L   104_B      L   104_C     0.598     0    0.010   0.082     1.254   92.857   90.536
LGA    V   105_B      V   105_C     0.967     0    0.106   1.185     2.811   88.214   79.456
LGA    D   106_B      D   106_C     1.072     0    0.037   0.925     2.640   81.548   75.298
LGA    K   107_B      K   107_C     1.703     0    0.073   1.097     8.210   72.976   53.439
LGA    D   108_B      D   108_C     1.934     0    0.083   0.130     2.307   72.857   68.810
LGA    A   109_B      A   109_C     1.485     0    0.085   0.102     1.663   81.548   81.524
LGA    K   110_B      K   110_C     1.105     0    0.117   1.438     7.589   79.286   60.212
LGA    L   111_B      L   111_C     0.518     0    0.079   1.361     3.377   95.238   82.381
LGA    G   112_B      G   112_C     0.512     0    0.048   0.048     0.682   92.857   92.857
LGA    I   113_B      I   113_C     0.453     0    0.009   0.049     0.627  100.000   97.619
LGA    I   114_B      I   114_C     0.473     0    0.034   0.642     2.043  100.000   93.214
LGA    L   115_B      L   115_C     0.444     0    0.053   0.093     0.839  100.000   96.429
LGA    M   116_B      M   116_C     0.211     0    0.056   1.242     3.213  100.000   84.940
LGA    L   117_B      L   117_C     0.296     0    0.057   0.135     0.395  100.000  100.000
LGA    I   118_B      I   118_C     0.318     0    0.066   0.089     0.432  100.000  100.000
LGA    D   119_B      D   119_C     0.204     0    0.073   0.265     0.728  100.000   97.619
LGA    K   120_B      K   120_C     0.165     0    0.034   0.455     1.782  100.000   94.868
LGA    A   121_B      A   121_C     0.199     0    0.049   0.054     0.277  100.000  100.000
LGA    I   122_B      I   122_C     0.340     0    0.026   0.064     0.508   97.619   98.810
LGA    K   123_B      K   123_C     0.336     0    0.042   0.965     4.759  100.000   84.550
LGA    Q   124_B      Q   124_C     0.249     0    0.015   0.931     2.303  100.000   93.069
LGA    I   125_B      I   125_C     0.261     0    0.029   0.033     0.351  100.000  100.000
LGA    A   126_B      A   126_C     0.367     0    0.043   0.050     0.593   97.619   98.095
LGA    E   127_B      E   127_C     0.487     0    0.037   0.089     1.032  100.000   93.704
LGA    L   128_B      L   128_C     0.359     0    0.055   1.084     2.356   97.619   90.000
LGA    M   129_B      M   129_C     0.527     0    0.056   0.083     0.634   92.857   95.238
LGA    D   130_B      D   130_C     0.567     0    0.635   0.906     4.220   90.595   75.357
LGA    A   131_B      A   131_C     3.928     0    0.486   0.505     6.011   37.024   33.048

# 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):     0.856          0.891                  1.553           93.286   87.934

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.86    95.868    98.119    12.659

LGA_LOCAL      RMSD:   0.856  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.856  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.856  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.391483 * X  +  -0.494990 * Y  +   0.775710 * Z  +  21.767494
  Y_new =   0.800973 * X  +  -0.598279 * Y  +   0.022463 * Z  +  -0.332913
  Z_new =   0.452972 * X  +   0.630117 * Y  +   0.630690 * Z  +  26.691755 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.025410 -0.470096  0.784944   [DEG:  116.0475  -26.9345   44.9740 ]
ZXZ:  1.599746  0.888355  0.623278   [DEG:   91.6587   50.8990   35.7112 ]
 
# END of job
