
#######################################################
#                                                     #
#                        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       1.44     1.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.44     1.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       5_B - 104_B       0.67     1.51
  LCS_AVERAGE:     66.71

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     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    100  125  125     10  102  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    100  125  125     29  107  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    100  125  125     71  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    100  125  125      4   18  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    100  125  125     22  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    100  125  125      4   69  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    100  125  125      4  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    100  125  125     72  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    100  125  125     70  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    100  125  125     36  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    100  125  125     73  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    100  125  125     73  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    100  125  125     72  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    100  125  125     71  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    100  125  125     59  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    100  125  125      5   35  110  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    100  125  125     10   48  110  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    100  125  125      5   83  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    100  125  125      6  105  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    100  125  125     65  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    100  125  125     73  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    100  125  125     73  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    100  125  125     74  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    100  125  125     74  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    100  125  125     72  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    100  125  125     74  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    100  125  125     38  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    100  125  125     66  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    100  125  125     72  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    100  125  125     20  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    100  125  125     74  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    100  125  125     72  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    100  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    100  125  125     72  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    100  125  125     36  108  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      3  125  125      3    3    4    6    7    9   10   13  117  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      3  125  125      3    3    4    6   10   48   98  111  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      6  125  125      3    4   15   38   98  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      6  125  125      3    6    7   10   17   26   51  109  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      6  125  125      3    6    7   15   25   44  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125      6   28   89  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125      6  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     73  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125      4  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     41  108  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     65  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     31  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     55  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     74  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     74  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     75  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     27  109  117  120  120  121  122  122  123  123  124  124  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.90  (  66.71  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    109    117    120    120    121    122    122    123    123    124    124    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  60.00  87.20  93.60  96.00  96.00  96.80  97.60  97.60  98.40  98.40  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.49   0.59   0.73   0.73   0.87   1.00   1.00   1.15   1.14   1.27   1.27   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44
GDT RMS_ALL_AT   1.61   1.54   1.52   1.49   1.49   1.47   1.46   1.46   1.45   1.45   1.45   1.45   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44

# Checking swapping
#   possible swapping detected:  E    48_B      E    48_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
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.349     0    0.685   0.965     8.118   91.190   52.751
LGA    L     6_B      L     6_B     0.149     0    0.037   1.078     2.621  100.000   90.238
LGA    V     7_B      V     7_B     0.232     0    0.038   0.176     0.769  100.000   97.279
LGA    E     8_B      E     8_B     0.300     0    0.038   0.739     2.965  100.000   91.058
LGA    S     9_B      S     9_B     0.352     0    0.060   0.739     2.443  100.000   94.127
LGA    G    10_B      G    10_B     0.510     0    0.687   0.687     3.041   82.738   82.738
LGA    G    11_B      G    11_B     1.217     0    0.066   0.066     1.444   85.952   85.952
LGA    G    12_B      G    12_B     1.303     0    0.038   0.038     1.303   88.214   88.214
LGA    L    13_B      L    13_B     1.038     0    0.088   0.251     1.488   85.952   85.952
LGA    V    14_B      V    14_B     0.621     0    0.102   1.200     2.866   95.238   85.918
LGA    Q    15_B      Q    15_B     0.703     0    0.088   1.320     4.860   90.476   71.323
LGA    A    16_B      A    16_B     0.805     0    0.057   0.066     1.053   90.476   88.667
LGA    G    17_B      G    17_B     0.822     0    0.086   0.086     0.822   90.476   90.476
LGA    G    18_B      G    18_B     0.718     0    0.073   0.073     1.154   88.214   88.214
LGA    S    19_B      S    19_B     0.649     0    0.047   0.691     2.580   90.476   84.921
LGA    L    20_B      L    20_B     0.403     0    0.043   1.080     2.424   95.238   86.429
LGA    G    21_B      G    21_B     0.667     0    0.092   0.092     0.667   95.238   95.238
LGA    L    22_B      L    22_B     0.342     0    0.065   0.084     0.517   97.619   98.810
LGA    S    23_B      S    23_B     0.376     0    0.015   0.167     0.456  100.000  100.000
LGA    C    24_B      C    24_B     0.406     0    0.036   0.051     0.505   97.619   98.413
LGA    A    25_B      A    25_B     0.171     0    0.046   0.070     0.289  100.000  100.000
LGA    A    26_B      A    26_B     0.297     0    0.012   0.031     0.404  100.000  100.000
LGA    S    27_B      S    27_B     0.177     0    0.568   0.547     2.139   91.190   94.127
LGA    G    28_B      G    28_B     1.516     0    0.219   0.219     3.661   63.452   63.452
LGA    R    29_B      R    29_B     0.821     0    0.264   1.184     4.465   88.214   71.126
LGA    T    30_B      T    30_B     1.320     0    0.361   1.170     4.462   79.286   70.272
LGA    F    31_B      F    31_B     0.951     0    0.063   0.101     1.114   88.214   88.831
LGA    S    32_B      S    32_B     0.338     0    0.029   0.089     0.544   97.619   98.413
LGA    N    33_B      N    33_B     0.394     0    0.090   1.110     3.885   97.619   87.024
LGA    Y    34_B      Y    34_B     0.786     0    0.115   0.286     3.062   97.619   77.262
LGA    V    35_B      V    35_B     0.207     0    0.073   0.956     2.175  100.000   91.088
LGA    M    36_B      M    36_B     0.671     0    0.035   0.982     2.432   92.857   85.119
LGA    A    37_B      A    37_B     0.884     0    0.022   0.031     1.029   90.476   88.667
LGA    W    38_B      W    38_B     0.564     0    0.040   0.099     0.949   92.857   93.197
LGA    F    39_B      F    39_B     0.482     0    0.041   0.174     1.606  100.000   89.091
LGA    R    40_B      R    40_B     0.325     0    0.000   0.132     0.584   97.619   97.403
LGA    Q    41_B      Q    41_B     0.481     0    0.025   0.399     1.895  100.000   91.799
LGA    A    42_B      A    42_B     0.401     0    0.064   0.083     0.673   97.619   98.095
LGA    P    43_B      P    43_B     0.648     0    0.098   0.381     0.841   95.238   94.558
LGA    G    44_B      G    44_B     0.800     0    0.128   0.128     0.872   90.476   90.476
LGA    K    45_B      K    45_B     0.862     0    0.054   0.627     1.374   90.476   90.529
LGA    E    46_B      E    46_B     0.666     0    0.046   0.420     1.345   90.476   88.466
LGA    R    47_B      R    47_B     0.850     0    0.087   1.294     2.910   90.476   80.346
LGA    E    48_B      E    48_B     0.463     0    0.020   0.174     0.655   97.619   97.884
LGA    F    49_B      F    49_B     0.592     0    0.047   0.130     2.320   95.238   81.169
LGA    V    50_B      V    50_B     0.406     0    0.048   0.096     0.656   92.857   94.558
LGA    A    51_B      A    51_B     0.932     0    0.026   0.045     1.045   92.857   90.571
LGA    R    52_B      R    52_B     0.508     0    0.130   1.615     6.948   95.238   71.472
LGA    I    53_B      I    53_B     0.466     0    0.035   0.209     0.844   97.619   94.048
LGA    S    54_B      S    54_B     0.467     0    0.171   0.473     1.432   92.976   90.635
LGA    E    55_B      E    55_B     2.047     0    0.211   0.698     4.455   65.238   61.058
LGA    S    56_B      S    56_B     2.067     0    0.123   0.622     3.773   70.833   65.238
LGA    R    57_B      R    57_B     1.327     0    0.205   1.579     8.686   79.286   52.381
LGA    G    58_B      G    58_B     1.099     0    0.072   0.072     1.176   85.952   85.952
LGA    T    59_B      T    59_B     0.343     0    0.058   0.830     2.268   97.619   89.728
LGA    T    60_B      T    60_B     0.643     0    0.042   0.240     1.450   97.619   91.973
LGA    D    61_B      D    61_B     0.585     0    0.036   0.705     1.729   90.476   87.143
LGA    Y    62_B      Y    62_B     0.659     0    0.078   0.181     1.052   90.476   88.968
LGA    A    63_B      A    63_B     0.613     0    0.062   0.063     0.698   90.476   90.476
LGA    D    64_B      D    64_B     0.780     0    0.088   0.200     1.178   90.476   89.345
LGA    S    65_B      S    65_B     0.872     0    0.097   0.651     2.169   90.476   86.190
LGA    V    66_B      V    66_B     0.913     0    0.071   0.201     1.166   90.476   89.184
LGA    K    67_B      K    67_B     0.911     0    0.019   1.248     5.747   90.476   72.963
LGA    G    68_B      G    68_B     0.855     0    0.077   0.077     1.026   88.214   88.214
LGA    R    69_B      R    69_B     0.406     0    0.044   1.327     2.532  100.000   84.069
LGA    F    70_B      F    70_B     0.376     0    0.009   0.197     1.090  100.000   94.892
LGA    T    71_B      T    71_B     0.317     0    0.058   0.154     0.574   97.619   97.279
LGA    I    72_B      I    72_B     0.327     0    0.041   0.577     1.666  100.000   94.226
LGA    S    73_B      S    73_B     0.098     0    0.000   0.704     2.007  100.000   94.127
LGA    R    74_B      R    74_B     0.104     0    0.022   0.841     2.347  100.000   89.221
LGA    D    75_B      D    75_B     0.291     0    0.043   0.656     1.552  100.000   94.286
LGA    N    76_B      N    76_B     0.403     0    0.151   0.167     1.020   92.976   95.298
LGA    A    77_B      A    77_B     0.558     0    0.000   0.030     0.748   92.857   92.381
LGA    K    78_B      K    78_B     0.801     0    0.116   1.179     3.617   97.619   80.741
LGA    N    79_B      N    79_B     0.100     0    0.046   0.173     0.449  100.000  100.000
LGA    T    80_B      T    80_B     0.249     0    0.018   0.400     1.193  100.000   95.986
LGA    I    81_B      I    81_B     0.495     0    0.038   0.306     1.152  100.000   94.107
LGA    Y    82_B      Y    82_B     0.322     0    0.035   0.096     0.452  100.000  100.000
LGA    L    83_B      L    83_B     0.639     0    0.033   0.189     0.731   90.476   91.667
LGA    Q    84_B      Q    84_B     0.655     0    0.033   0.639     2.483   90.476   82.698
LGA    M    85_B      M    85_B     0.521     0    0.168   0.761     1.646   88.214   86.131
LGA    N    86_B      N    86_B     0.531     0    0.052   0.269     0.685   95.238   95.238
LGA    S    87_B      S    87_B     0.464     0    0.053   0.153     1.209  100.000   95.317
LGA    L    88_B      L    88_B     0.506     0    0.135   0.228     0.952   90.476   92.857
LGA    N    89_B      N    89_B     0.709     0    0.072   1.263     4.594   90.476   73.036
LGA    P    90_B      P    90_B     0.598     0    0.701   0.641     2.588   82.143   83.129
LGA    G    91_B      G    91_B     1.055     0    0.164   0.164     1.752   83.810   83.810
LGA    D    92_B      D    92_B     0.261     0    0.092   0.129     0.396  100.000  100.000
LGA    T    93_B      T    93_B     0.449     0    0.057   0.151     0.864  100.000   97.279
LGA    A    94_B      A    94_B     0.470     0    0.018   0.037     0.481  100.000  100.000
LGA    V    95_B      V    95_B     0.346     0    0.054   1.167     2.598  100.000   88.844
LGA    Y    96_B      Y    96_B     0.134     0    0.022   0.073     0.415  100.000  100.000
LGA    S    97_B      S    97_B     0.353     0    0.049   0.681     2.236  100.000   94.127
LGA    C    98_B      C    98_B     0.409     0    0.057   0.109     0.477  100.000  100.000
LGA    A    99_B      A    99_B     0.362     0    0.057   0.054     0.524  100.000   98.095
LGA    A   100_B      A   100_B     0.329     0    0.103   0.109     0.449  100.000  100.000
LGA    T   101_B      T   101_B     0.548     0    0.049   0.955     2.509   95.238   85.918
LGA    L   102_B      L   102_B     0.529     0    0.140   0.977     2.957   90.595   86.429
LGA    P   103_B      P   103_B     0.629     0    0.657   0.652     3.573   76.429   81.156
LGA    A   104_B      A   104_B     1.017     0    0.654   0.630     4.897   61.667   62.286
LGA    W   105_B      W   105_B     8.048     0    0.549   1.425    13.148    9.524    2.721
LGA    T   106_B      T   106_B     6.134     0    0.633   0.561     7.052   17.500   22.313
LGA    G   107_B      G   107_B     5.000     0    0.184   0.184     5.000   43.452   43.452
LGA    I   108_B      I   108_B     6.329     0    0.076   0.276    11.472   20.357   10.714
LGA    I   109_B      I   109_B     5.647     0    0.192   0.185     8.054   28.214   18.512
LGA    G   110_B      G   110_B     3.047     0    0.243   0.243     3.624   57.738   57.738
LGA    G   111_B      G   111_B     1.148     0    0.410   0.410     1.355   88.333   88.333
LGA    R   112_B      R   112_B     0.452     0    0.065   0.414     2.144   97.619   83.593
LGA    R   113_B      R   113_B     0.303     0    0.100   1.265     6.793  100.000   66.580
LGA    P   114_B      P   114_B     1.024     0    0.039   0.375     1.387   88.214   90.612
LGA    G   115_B      G   115_B     0.935     0    0.110   0.110     0.935   90.476   90.476
LGA    N   116_B      N   116_B     0.402     0    0.123   0.151     0.851   97.619   95.238
LGA    Y   117_B      Y   117_B     0.798     0    0.035   1.740     8.390   90.476   56.468
LGA    P   118_B      P   118_B     0.567     0    0.101   0.405     1.200   95.238   90.612
LGA    Y   119_B      Y   119_B     0.459     0    0.131   0.316     1.394   95.238   89.802
LGA    W   120_B      W   120_B     0.667     0    0.027   0.213     1.429   90.476   87.891
LGA    G   121_B      G   121_B     0.326     0    0.061   0.061     0.345  100.000  100.000
LGA    Q   122_B      Q   122_B     0.456     0    0.710   0.880     4.875   81.190   64.656
LGA    G   123_B      G   123_B     0.228     0    0.167   0.167     0.642   97.619   97.619
LGA    T   124_B      T   124_B     0.232     0    0.042   1.009     2.464  100.000   91.088
LGA    Q   125_B      Q   125_B     0.244     0    0.017   0.417     1.155  100.000   96.878
LGA    V   126_B      V   126_B     0.476     0    0.071   0.182     0.920   95.238   95.918
LGA    T   127_B      T   127_B     0.545     0    0.052   0.095     0.765   90.476   91.837
LGA    V   128_B      V   128_B     0.510     0    0.136   0.152     0.845   97.619   94.558
LGA    S   129_B      S   129_B     1.015     0    0.242   0.294     1.701   83.690   80.079

# 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):     1.443          1.434                  2.272           90.016   85.100

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    122    1.00    95.200    97.302    11.044

LGA_LOCAL      RMSD:   1.005  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.458  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.443  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.959027 * X  +  -0.250501 * Y  +   0.132351 * Z  +  79.770554
  Y_new =   0.113546 * X  +  -0.088155 * Y  +  -0.989614 * Z  +  37.624882
  Z_new =   0.259567 * X  +   0.964094 * Y  +  -0.056100 * Z  +  -7.731306 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.117848 -0.262574  1.628920   [DEG:    6.7522  -15.0444   93.3302 ]
ZXZ:  0.132951  1.626926  0.262998   [DEG:    7.6175   93.2160   15.0687 ]
 
# END of job
