
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.15     1.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.15     1.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       5_B - 104_B       0.92     1.19
  LCS_AVERAGE:     67.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     5_B     Q     5_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    100  125  125     45  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    100  125  125     68  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    100  125  125     15  107  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    100  125  125     61  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    100  125  125     76  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    100  125  125     76  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    100  125  125      4   93  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    100  125  125      4   41   95  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    100  125  125      4   61  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    100  125  125     32  107  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    100  125  125      4   78  112  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    100  125  125     79  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    100  125  125     77  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    100  125  125     79  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    100  125  125     39  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    100  125  125     24  105  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    100  125  125     77  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    100  125  125     77  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    100  125  125      5   22   90  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    100  125  125      3    3    6   10   28   47  113  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    100  125  125      3    3  108  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    100  125  125     76  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    100  125  125     83  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    100  125  125     83  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    100  125  125     67  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    100  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    100  125  125     20  107  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    100  125  125     68  107  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    100  125  125      3    6   62  110  119  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    100  125  125     83  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B     48  125  125      3    4   20   63  104  116  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      4  125  125      3    4    4    6   17   46  109  122  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B     16  125  125      3    5   16   35   89  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B     22  125  125      3    4   25   66  105  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B     22  125  125     80  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     22  125  125     21  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     22  125  125     31  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     22  125  125     38  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     22  125  125     37  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     22  125  125     64  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     22  125  125     28  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     22  125  125     83  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     22  125  125     84  108  115  117  119  121  123  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  89.18  (  67.53  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     84    108    115    117    119    121    123    124    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  67.20  86.40  92.00  93.60  95.20  96.80  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.47   0.58   0.63   0.70   0.87   0.97   1.07   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15
GDT RMS_ALL_AT   1.22   1.18   1.17   1.17   1.17   1.16   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15

# Checking swapping
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    61_B      D    61_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.525     0    0.685   1.318     6.824   86.429   53.439
LGA    L     6_B      L     6_B     0.214     0    0.033   0.142     0.644  100.000   98.810
LGA    V     7_B      V     7_B     0.423     0    0.122   0.877     2.261  100.000   91.088
LGA    E     8_B      E     8_B     0.816     0    0.039   0.264     1.012   88.214   91.587
LGA    S     9_B      S     9_B     0.629     0    0.060   0.472     1.582   95.238   90.714
LGA    G    10_B      G    10_B     0.363     0    0.690   0.690     3.026   85.119   85.119
LGA    G    11_B      G    11_B     1.287     0    0.041   0.041     1.452   85.952   85.952
LGA    G    12_B      G    12_B     0.621     0    0.000   0.000     0.621   90.476   90.476
LGA    L    13_B      L    13_B     1.008     0    0.069   1.316     3.428   83.690   77.560
LGA    V    14_B      V    14_B     0.781     0    0.033   0.103     0.796   90.476   90.476
LGA    Q    15_B      Q    15_B     0.826     0    0.016   0.240     1.535   90.476   89.577
LGA    A    16_B      A    16_B     0.685     0    0.031   0.032     0.756   90.476   90.476
LGA    G    17_B      G    17_B     0.785     0    0.042   0.042     0.825   90.476   90.476
LGA    G    18_B      G    18_B     0.901     0    0.089   0.089     1.364   88.214   88.214
LGA    S    19_B      S    19_B     0.588     0    0.060   0.120     0.916   90.476   90.476
LGA    L    20_B      L    20_B     0.346     0    0.000   1.143     2.356   97.619   88.810
LGA    G    21_B      G    21_B     0.592     0    0.064   0.064     0.592   95.238   95.238
LGA    L    22_B      L    22_B     0.301     0    0.040   0.148     0.567  100.000   98.810
LGA    S    23_B      S    23_B     0.394     0    0.064   0.163     0.681   97.619   96.825
LGA    C    24_B      C    24_B     0.371     0    0.030   0.089     0.501  100.000   98.413
LGA    A    25_B      A    25_B     0.266     0    0.030   0.027     0.298  100.000  100.000
LGA    A    26_B      A    26_B     0.169     0    0.038   0.043     0.263  100.000  100.000
LGA    S    27_B      S    27_B     0.256     0    0.184   0.248     0.595  100.000   96.825
LGA    G    28_B      G    28_B     1.605     0    0.062   0.062     2.108   72.976   72.976
LGA    R    29_B      R    29_B     2.261     0    0.402   0.671     7.015   66.786   43.030
LGA    T    30_B      T    30_B     1.691     0    0.288   1.065     3.889   75.119   67.687
LGA    F    31_B      F    31_B     1.074     0    0.056   0.182     1.435   85.952   85.541
LGA    S    32_B      S    32_B     0.583     0    0.018   0.046     1.413   85.952   87.460
LGA    N    33_B      N    33_B     1.831     0    0.029   1.023     5.561   77.143   63.750
LGA    Y    34_B      Y    34_B     0.417     0    0.058   0.541     2.696   97.619   80.040
LGA    V    35_B      V    35_B     0.314     0    0.098   0.929     2.477  100.000   88.571
LGA    M    36_B      M    36_B     0.601     0    0.039   0.217     0.765   92.857   91.667
LGA    A    37_B      A    37_B     0.596     0    0.031   0.031     0.702   95.238   94.286
LGA    W    38_B      W    38_B     0.478     0    0.021   0.180     1.072   97.619   94.592
LGA    F    39_B      F    39_B     0.406     0    0.040   0.062     0.713  100.000   95.671
LGA    R    40_B      R    40_B     0.283     0    0.018   0.110     0.412  100.000  100.000
LGA    Q    41_B      Q    41_B     0.370     0    0.045   0.450     1.510  100.000   96.984
LGA    A    42_B      A    42_B     0.622     0    0.031   0.056     0.652   90.476   90.476
LGA    P    43_B      P    43_B     0.822     0    0.085   0.121     1.102   88.214   87.891
LGA    G    44_B      G    44_B     1.309     0    0.128   0.128     1.309   85.952   85.952
LGA    K    45_B      K    45_B     0.589     0    0.101   0.668     3.618   95.238   82.646
LGA    E    46_B      E    46_B     0.606     0    0.074   0.908     2.038   90.476   82.698
LGA    R    47_B      R    47_B     0.599     0    0.016   0.762     2.250   95.238   86.623
LGA    E    48_B      E    48_B     0.309     0    0.018   0.610     1.513  100.000   94.921
LGA    F    49_B      F    49_B     0.306     0    0.052   0.167     0.608  100.000   97.403
LGA    V    50_B      V    50_B     0.285     0    0.021   0.035     0.338  100.000  100.000
LGA    A    51_B      A    51_B     0.437     0    0.007   0.010     0.437  100.000  100.000
LGA    R    52_B      R    52_B     0.284     0    0.088   1.355     3.914  100.000   84.156
LGA    I    53_B      I    53_B     0.413     0    0.087   0.291     0.938  100.000   95.238
LGA    S    54_B      S    54_B     0.171     0    0.074   0.186     0.660  100.000   98.413
LGA    E    55_B      E    55_B     0.369     0    0.198   1.070     3.337   86.548   79.418
LGA    S    56_B      S    56_B     2.552     0    0.378   0.419     3.211   59.286   56.190
LGA    R    57_B      R    57_B     5.090     0    0.072   1.327    15.754   40.952   15.844
LGA    G    58_B      G    58_B     2.178     0    0.162   0.162     3.477   65.238   65.238
LGA    T    59_B      T    59_B     0.796     0    0.128   0.880     2.950   90.476   84.422
LGA    T    60_B      T    60_B     0.296     0    0.023   0.158     0.492  100.000  100.000
LGA    D    61_B      D    61_B     0.304     0    0.082   0.128     0.826  100.000   95.238
LGA    Y    62_B      Y    62_B     0.205     0    0.057   0.099     0.363  100.000  100.000
LGA    A    63_B      A    63_B     0.256     0    0.016   0.029     0.348  100.000  100.000
LGA    D    64_B      D    64_B     0.389     0    0.075   0.263     0.881  100.000   98.810
LGA    S    65_B      S    65_B     0.587     0    0.023   0.050     0.600   90.476   92.063
LGA    V    66_B      V    66_B     0.544     0    0.026   0.076     0.586   90.476   91.837
LGA    K    67_B      K    67_B     0.592     0    0.037   0.764     4.854   90.476   72.275
LGA    G    68_B      G    68_B     0.547     0    0.071   0.071     0.699   92.857   92.857
LGA    R    69_B      R    69_B     0.320     0    0.044   0.125     0.350  100.000  100.000
LGA    F    70_B      F    70_B     0.370     0    0.009   0.151     0.805  100.000   97.403
LGA    T    71_B      T    71_B     0.320     0    0.027   0.160     0.563  100.000   98.639
LGA    I    72_B      I    72_B     0.361     0    0.031   0.160     0.550  100.000   98.810
LGA    S    73_B      S    73_B     0.397     0    0.026   0.075     0.487  100.000  100.000
LGA    R    74_B      R    74_B     0.281     0    0.021   0.172     0.593  100.000   99.134
LGA    D    75_B      D    75_B     0.321     0    0.047   0.726     1.691   97.619   93.095
LGA    N    76_B      N    76_B     0.568     0    0.082   0.147     1.006   90.595   91.726
LGA    A    77_B      A    77_B     0.873     0    0.049   0.049     1.112   95.238   92.476
LGA    K    78_B      K    78_B     0.298     0    0.031   0.768     2.094   97.619   91.852
LGA    N    79_B      N    79_B     0.601     0    0.066   0.176     1.379   97.619   90.655
LGA    T    80_B      T    80_B     0.257     0    0.084   1.242     2.834  100.000   88.844
LGA    I    81_B      I    81_B     0.461     0    0.000   0.392     1.408   97.619   95.298
LGA    Y    82_B      Y    82_B     0.384     0    0.041   0.107     0.507  100.000   99.206
LGA    L    83_B      L    83_B     0.524     0    0.018   0.158     0.564   92.857   95.238
LGA    Q    84_B      Q    84_B     0.542     0    0.038   0.196     1.418   90.476   87.460
LGA    M    85_B      M    85_B     0.591     0    0.080   0.738     1.664   90.476   88.333
LGA    N    86_B      N    86_B     0.686     0    0.019   0.251     0.823   92.857   91.667
LGA    S    87_B      S    87_B     0.578     0    0.000   0.147     1.147   95.238   93.730
LGA    L    88_B      L    88_B     0.506     0    0.076   0.115     0.714   90.476   91.667
LGA    N    89_B      N    89_B     0.560     0    0.025   1.104     4.572   90.476   76.667
LGA    P    90_B      P    90_B     0.587     0    0.018   0.056     0.762   90.476   90.476
LGA    G    91_B      G    91_B     0.673     0    0.016   0.016     0.673   95.238   95.238
LGA    D    92_B      D    92_B     0.260     0    0.053   0.255     0.797  100.000   98.810
LGA    T    93_B      T    93_B     0.381     0    0.032   0.070     0.494  100.000  100.000
LGA    A    94_B      A    94_B     0.361     0    0.003   0.047     0.396  100.000  100.000
LGA    V    95_B      V    95_B     0.189     0    0.034   0.186     0.392  100.000  100.000
LGA    Y    96_B      Y    96_B     0.160     0    0.022   0.100     0.375  100.000  100.000
LGA    S    97_B      S    97_B     0.386     0    0.023   0.101     0.972  100.000   96.825
LGA    C    98_B      C    98_B     0.314     0    0.020   0.089     0.439  100.000  100.000
LGA    A    99_B      A    99_B     0.256     0    0.017   0.031     0.445  100.000  100.000
LGA    A   100_B      A   100_B     0.260     0    0.020   0.026     0.570   95.238   96.190
LGA    T   101_B      T   101_B     1.118     0    0.072   0.173     2.515   92.976   80.952
LGA    L   102_B      L   102_B     1.132     0    0.056   0.983     5.511   85.952   64.940
LGA    P   103_B      P   103_B     2.937     0    0.635   0.555     5.090   51.310   49.932
LGA    A   104_B      A   104_B     1.089     0    0.510   0.523     2.604   77.262   73.238
LGA    W   105_B      W   105_B     3.986     0    0.639   0.718    11.385   45.238   18.673
LGA    T   106_B      T   106_B     4.928     0    0.606   1.032     8.675   42.500   28.503
LGA    G   107_B      G   107_B     4.025     0    0.556   0.556     4.025   43.452   43.452
LGA    I   108_B      I   108_B     3.733     0    0.015   1.196     8.953   50.595   38.869
LGA    I   109_B      I   109_B     0.557     0    0.220   1.169     4.111   90.595   71.548
LGA    G   110_B      G   110_B     0.768     0    0.111   0.111     0.768   90.476   90.476
LGA    G   111_B      G   111_B     0.736     0    0.036   0.036     0.736   90.476   90.476
LGA    R   112_B      R   112_B     0.405     0    0.038   1.038     2.476   97.619   88.442
LGA    R   113_B      R   113_B     0.128     0    0.019   0.546     2.714  100.000   87.965
LGA    P   114_B      P   114_B     0.483     0    0.057   0.329     0.976   97.619   97.279
LGA    G   115_B      G   115_B     0.908     0    0.025   0.025     1.214   88.214   88.214
LGA    N   116_B      N   116_B     0.909     0    0.127   0.768     4.158   92.857   74.643
LGA    Y   117_B      Y   117_B     0.539     0    0.020   0.201     0.687   90.476   96.825
LGA    P   118_B      P   118_B     0.972     0    0.033   0.279     1.315   90.476   87.891
LGA    Y   119_B      Y   119_B     0.166     0    0.062   0.350     1.385  100.000   95.278
LGA    W   120_B      W   120_B     0.245     0    0.072   0.165     0.775   97.619   96.599
LGA    G   121_B      G   121_B     0.194     0    0.004   0.004     0.423  100.000  100.000
LGA    Q   122_B      Q   122_B     0.525     0    0.016   1.088     7.306   97.619   65.767
LGA    G   123_B      G   123_B     0.102     0    0.051   0.051     0.429  100.000  100.000
LGA    T   124_B      T   124_B     0.202     0    0.033   0.273     0.625  100.000   97.279
LGA    Q   125_B      Q   125_B     0.107     0    0.020   0.288     0.842  100.000   97.884
LGA    V   126_B      V   126_B     0.296     0    0.074   0.152     0.607  100.000   98.639
LGA    T   127_B      T   127_B     0.477     0    0.000   0.108     0.646   97.619   97.279
LGA    V   128_B      V   128_B     0.539     0    0.055   0.107     0.748   90.476   91.837
LGA    S   129_B      S   129_B     0.778     0    0.073   0.627     2.132   81.667   80.317

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.152          1.088                  2.061           91.432   87.239

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    124    1.07    94.800    97.235    10.598

LGA_LOCAL      RMSD:   1.070  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.153  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.152  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.543052 * X  +   0.501054 * Y  +   0.673824 * Z  +  90.521004
  Y_new =  -0.027480 * X  +   0.791425 * Y  +  -0.610648 * Z  + -35.734734
  Z_new =  -0.839249 * X  +  -0.350131 * Y  +  -0.416016 * Z  +  15.439028 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.091033  0.995901 -2.441979   [DEG: -177.1031   57.0609 -139.9151 ]
ZXZ:  0.834543  1.999856 -1.966038   [DEG:   47.8158  114.5833 -112.6457 ]
 
# END of job
