
#######################################################
#                                                     #
#                        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  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     1_B     Q     1_B    124  124  124      5   20   93  117  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B    124  124  124     25  100  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B    124  124  124     80  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B    124  124  124     47  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B    124  124  124     47  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B    124  124  124     81  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B    124  124  124     43  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B    124  124  124     79  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B    124  124  124     15  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B    124  124  124     18  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B    124  124  124     17  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B    124  124  124     24  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B    124  124  124     24  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B    124  124  124     24  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B    124  124  124     35  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B    124  124  124     82  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B    124  124  124     82  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B    124  124  124      3    4   26   42  113  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B    124  124  124      3    3   23   40   69  102  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B    124  124  124      3    3   26   91  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B    124  124  124     33  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B    124  124  124     82  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B    124  124  124     24  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B    124  124  124     80  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B    124  124  124     71  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B    124  124  124     49  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B    124  124  124     24  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B    124  124  124     75  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B    124  124  124     75  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B    124  124  124      9  107  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B    124  124  124      8  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B    124  124  124     29  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B    124  124  124     42  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B    124  124  124     54  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B    124  124  124      9  106  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B    124  124  124      8  106  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B    124  124  124     81  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B    124  124  124     83  113  120  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
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     83    113    120    120    121    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  66.94  91.13  96.77  96.77  97.58  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.46   0.55   0.55   0.62   0.77   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85
GDT RMS_ALL_AT   0.88   0.87   0.87   0.87   0.87   0.86   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  Y    92_B      Y    92_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.939     0    0.583   1.336     9.875   53.690   28.677
LGA    V     2_B      V     2_B     1.342     0    0.025   0.941     3.379   79.286   74.490
LGA    Q     3_B      Q     3_B     0.603     0    0.033   0.229     2.517   90.476   82.804
LGA    L     4_B      L     4_B     0.439     0    0.043   0.059     0.781   95.238   97.619
LGA    V     5_B      V     5_B     0.430     0    0.039   0.094     0.617  100.000   98.639
LGA    E     6_B      E     6_B     0.386     0    0.039   0.147     0.791   97.619   97.884
LGA    S     7_B      S     7_B     0.608     0    0.015   0.037     0.704   92.857   92.063
LGA    G     8_B      G     8_B     0.809     0    0.034   0.034     1.025   88.214   88.214
LGA    G     9_B      G     9_B     0.750     0    0.106   0.106     1.212   88.214   88.214
LGA    G    10_B      G    10_B     0.375     0    0.030   0.030     0.377  100.000  100.000
LGA    S    11_B      S    11_B     0.287     0    0.022   0.053     0.482  100.000  100.000
LGA    V    12_B      V    12_B     0.306     0    0.104   0.997     2.282  100.000   89.728
LGA    Q    13_B      Q    13_B     0.217     0    0.040   0.877     3.083  100.000   85.608
LGA    A    14_B      A    14_B     0.142     0    0.004   0.022     0.163  100.000  100.000
LGA    G    15_B      G    15_B     0.175     0    0.045   0.045     0.335  100.000  100.000
LGA    G    16_B      G    16_B     0.452     0    0.014   0.014     0.452  100.000  100.000
LGA    S    17_B      S    17_B     0.253     0    0.059   0.668     2.197  100.000   94.127
LGA    L    18_B      L    18_B     0.271     0    0.029   1.318     3.167  100.000   85.833
LGA    R    19_B      R    19_B     0.136     0    0.025   1.044     4.740  100.000   83.333
LGA    L    20_B      L    20_B     0.408     0    0.016   0.050     0.468  100.000  100.000
LGA    S    21_B      S    21_B     0.443     0    0.038   0.670     1.711  100.000   93.889
LGA    C    22_B      C    22_B     0.393     0    0.050   0.076     0.624  100.000   98.413
LGA    A    23_B      A    23_B     0.360     0    0.078   0.110     0.376  100.000  100.000
LGA    A    24_B      A    24_B     0.572     0    0.019   0.018     0.623   90.476   90.476
LGA    S    25_B      S    25_B     0.545     0    0.055   0.620     2.630   90.476   86.508
LGA    G    26_B      G    26_B     0.909     0    0.031   0.031     1.157   88.214   88.214
LGA    S    27_B      S    27_B     0.631     0    0.124   0.286     0.780   92.857   93.651
LGA    T    28_B      T    28_B     0.799     0    0.035   1.075     2.383   88.214   82.993
LGA    V    29_B      V    29_B     0.871     0    0.042   0.081     0.912   90.476   90.476
LGA    S    30_B      S    30_B     0.900     0    0.020   0.107     1.182   90.476   88.968
LGA    A    31_B      A    31_B     0.918     0    0.031   0.030     0.954   90.476   90.476
LGA    Y    32_B      Y    32_B     1.047     0    0.027   0.158     1.607   81.429   80.754
LGA    Y    33_B      Y    33_B     0.920     0    0.021   0.164     1.468   90.476   85.198
LGA    M    34_B      M    34_B     0.466     0    0.031   0.634     2.301   92.857   90.833
LGA    A    35_B      A    35_B     0.427     0    0.018   0.017     0.433  100.000  100.000
LGA    W    36_B      W    36_B     0.476     0    0.058   0.071     0.747   97.619   93.197
LGA    F    37_B      F    37_B     0.446     0    0.033   0.054     0.533   97.619   99.134
LGA    R    38_B      R    38_B     0.232     0    0.005   0.086     0.794  100.000   95.671
LGA    Q    39_B      Q    39_B     0.289     0    0.018   0.138     0.949  100.000   96.825
LGA    A    40_B      A    40_B     0.371     0    0.016   0.030     0.570   97.619   98.095
LGA    P    41_B      P    41_B     0.585     0    0.025   0.315     1.196   92.857   93.265
LGA    G    42_B      G    42_B     1.275     0    0.117   0.117     1.947   81.548   81.548
LGA    K    43_B      K    43_B     0.809     0    0.022   0.594     1.160   90.476   86.455
LGA    G    44_B      G    44_B     0.501     0    0.061   0.061     0.674   92.857   92.857
LGA    R    45_B      R    45_B     0.211     0    0.011   0.181     2.060  100.000   89.307
LGA    E    46_B      E    46_B     0.354     0    0.040   0.292     1.683  100.000   90.741
LGA    G    47_B      G    47_B     0.294     0    0.005   0.005     0.294  100.000  100.000
LGA    V    48_B      V    48_B     0.308     0    0.022   0.036     0.322  100.000  100.000
LGA    A    49_B      A    49_B     0.347     0    0.010   0.010     0.469  100.000  100.000
LGA    V    50_B      V    50_B     0.570     0    0.006   1.101     2.910   95.238   85.918
LGA    I    51_B      I    51_B     0.424     0    0.060   0.992     2.719   82.500   72.738
LGA    G    52_B      G    52_B     3.503     0    0.651   0.651     6.332   40.595   40.595
LGA    G    53_B      G    53_B     4.183     0    0.220   0.220     4.183   48.810   48.810
LGA    S    54_B      S    54_B     3.455     0    0.529   0.514     5.543   41.190   38.016
LGA    G    55_B      G    55_B     0.958     0    0.016   0.016     1.231   88.214   88.214
LGA    V    56_B      V    56_B     0.526     0    0.032   0.099     1.175   95.238   93.265
LGA    Y    57_B      Y    57_B     0.202     0    0.024   0.088     0.616  100.000   99.206
LGA    A    58_B      A    58_B     0.282     0    0.022   0.030     0.287  100.000  100.000
LGA    D    59_B      D    59_B     0.434     0    0.028   0.122     0.517  100.000   98.810
LGA    A    60_B      A    60_B     0.274     0    0.018   0.019     0.295  100.000  100.000
LGA    V    61_B      V    61_B     0.203     0    0.053   0.068     0.325  100.000  100.000
LGA    K    62_B      K    62_B     0.281     0    0.025   0.789     2.803  100.000   88.201
LGA    G    63_B      G    63_B     0.335     0    0.013   0.013     0.335  100.000  100.000
LGA    R    64_B      R    64_B     0.140     0    0.027   0.135     0.691  100.000   97.403
LGA    F    65_B      F    65_B     0.152     0    0.039   0.109     0.375  100.000  100.000
LGA    T    66_B      T    66_B     0.190     0    0.032   0.061     0.506  100.000   98.639
LGA    I    67_B      I    67_B     0.310     0    0.040   0.077     0.425  100.000  100.000
LGA    S    68_B      S    68_B     0.323     0    0.023   0.085     0.414  100.000  100.000
LGA    Q    69_B      Q    69_B     0.265     0    0.130   0.503     1.840   97.619   87.831
LGA    D    70_B      D    70_B     0.148     0    0.070   0.143     0.791  100.000   98.810
LGA    N    71_B      N    71_B     0.141     0    0.029   1.094     2.368  100.000   91.190
LGA    A    72_B      A    72_B     0.506     0    0.117   0.125     0.730   95.238   94.286
LGA    K    73_B      K    73_B     0.423     0    0.019   0.563     2.472  100.000   93.968
LGA    N    74_B      N    74_B     0.167     0    0.017   0.263     0.974  100.000   97.619
LGA    T    75_B      T    75_B     0.269     0    0.025   0.073     0.434  100.000  100.000
LGA    L    76_B      L    76_B     0.425     0    0.056   0.717     2.726   97.619   88.810
LGA    Y    77_B      Y    77_B     0.437     0    0.024   0.074     0.469  100.000  100.000
LGA    L    78_B      L    78_B     0.477     0    0.039   0.051     0.541  100.000   95.238
LGA    Q    79_B      Q    79_B     0.371     0    0.057   0.926     3.805  100.000   85.714
LGA    M    80_B      M    80_B     0.309     0    0.017   0.094     0.469  100.000  100.000
LGA    N    81_B      N    81_B     0.167     0    0.032   0.332     1.373  100.000   97.679
LGA    S    82_B      S    82_B     0.204     0    0.029   0.042     0.404  100.000  100.000
LGA    L    83_B      L    83_B     0.225     0    0.011   0.061     0.250  100.000  100.000
LGA    K    84_B      K    84_B     0.400     0    0.050   0.689     1.919  100.000   92.910
LGA    P    85_B      P    85_B     0.287     0    0.064   0.090     0.319  100.000  100.000
LGA    E    86_B      E    86_B     0.222     0    0.032   0.570     1.853  100.000   93.862
LGA    D    87_B      D    87_B     0.166     0    0.015   0.105     0.329  100.000  100.000
LGA    T    88_B      T    88_B     0.226     0    0.055   0.122     0.420  100.000  100.000
LGA    A    89_B      A    89_B     0.321     0    0.057   0.088     0.490  100.000  100.000
LGA    M    90_B      M    90_B     0.162     0    0.041   1.040     2.011  100.000   89.881
LGA    Y    91_B      Y    91_B     0.307     0    0.010   0.066     0.332  100.000  100.000
LGA    Y    92_B      Y    92_B     0.381     0    0.018   0.101     0.649  100.000   97.619
LGA    C    93_B      C    93_B     0.273     0    0.045   0.727     2.829  100.000   92.857
LGA    A    94_B      A    94_B     0.276     0    0.034   0.031     0.366  100.000  100.000
LGA    A    95_B      A    95_B     0.354     0    0.024   0.037     0.425  100.000  100.000
LGA    Y    96_B      Y    96_B     0.804     0    0.043   0.154     2.443   90.476   79.603
LGA    W    97_B      W    97_B     0.691     0    0.037   0.208     1.108   90.476   89.184
LGA    K    98_B      K    98_B     0.805     0    0.033   0.083     1.269   90.476   86.455
LGA    G    99_B      G    99_B     0.834     0    0.089   0.089     1.250   88.214   88.214
LGA    Y   100_B      Y   100_B     0.908     0    0.063   0.113     1.391   90.476   84.444
LGA    K   101_B      K   101_B     0.863     0    0.217   0.642     1.959   83.810   83.598
LGA    Y   102_B      Y   102_B     0.887     0    0.037   0.034     1.710   85.952   81.548
LGA    H   103_B      H   103_B     1.536     0    0.028   0.312     2.872   79.286   70.667
LGA    P   104_B      P   104_B     1.285     0    0.066   0.262     2.481   81.548   76.667
LGA    K   105_B      K   105_B     0.920     0    0.013   0.758     3.951   88.214   75.079
LGA    F   106_B      F   106_B     0.511     0    0.048   0.221     0.651   90.476   92.208
LGA    D   107_B      D   107_B     1.057     0    0.021   0.087     1.660   88.214   83.750
LGA    D   108_B      D   108_B     0.774     0    0.026   0.474     2.263   90.476   82.798
LGA    S   109_B      S   109_B     1.460     0    0.022   0.051     1.831   79.286   77.143
LGA    A   110_B      A   110_B     1.462     0    0.037   0.041     1.587   81.429   79.714
LGA    Y   111_B      Y   111_B     0.478     0    0.088   0.149     0.802   95.238   94.444
LGA    E   112_B      E   112_B     0.190     0    0.017   0.844     3.045  100.000   86.455
LGA    Y   113_B      Y   113_B     0.243     0    0.040   0.104     1.455  100.000   91.429
LGA    W   114_B      W   114_B     0.376     0    0.018   0.111     0.653   97.619   96.599
LGA    G   115_B      G   115_B     0.526     0    0.050   0.050     0.681   90.476   90.476
LGA    Q   116_B      Q   116_B     0.461     0    0.043   0.998     5.226  100.000   80.159
LGA    G   117_B      G   117_B     0.329     0    0.028   0.028     0.329  100.000  100.000
LGA    T   118_B      T   118_B     0.414     0    0.017   1.287     2.767  100.000   87.483
LGA    Q   119_B      Q   119_B     0.448     0    0.026   0.121     0.573   97.619   95.767
LGA    V   120_B      V   120_B     0.177     0    0.024   0.078     0.351  100.000  100.000
LGA    T   121_B      T   121_B     0.338     0    0.019   0.080     0.529  100.000   98.639
LGA    V   122_B      V   122_B     0.224     0    0.077   0.111     0.505   97.619   98.639
LGA    S   123_B      S   123_B     0.176     0    0.079   0.720     2.059  100.000   94.127
LGA    S   124_B      S   124_B     0.574     0    0.333   0.749     3.373   92.976   83.889

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     0.854          0.915                  1.246           94.155   90.665

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.85    96.976    98.624    12.997

LGA_LOCAL      RMSD:   0.854  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.854  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.854  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.163291 * X  +  -0.137116 * Y  +  -0.977003 * Z  +   2.265638
  Y_new =   0.985026 * X  +  -0.078187 * Y  +  -0.153658 * Z  + -42.189400
  Z_new =  -0.055320 * X  +  -0.987464 * Y  +   0.147830 * Z  +  19.128675 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.735075  0.055348 -1.422194   [DEG:   99.4125    3.1712  -81.4857 ]
ZXZ: -1.414799  1.422423 -3.085629   [DEG:  -81.0620   81.4988 -176.7935 ]
 
# END of job
