
#######################################################
#                                                     #
#                        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       1.64     1.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.64     1.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      32_B - 97_B        0.95     1.77
  LONGEST_CONTINUOUS_SEGMENT:    66      33_B - 98_B        0.98     1.83
  LCS_AVERAGE:     37.01

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     28  124  124     12   89  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     28  124  124     21   89  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     28  124  124     68   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     28  124  124     14   90  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     28  124  124     62   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     28  124  124     62   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     28  124  124     62   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     28  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     28  124  124     30   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     28  124  124      3    6   39  105  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     28  124  124      3   12   20   87  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B      4  124  124      3    4    8   13   18   25  115  118  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     22  124  124      3   46  100  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     22  124  124      3   19   92  104  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     66  124  124      4   86  100  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     66  124  124     44   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     66  124  124     34   90  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     66  124  124      7   81  100  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     66  124  124      9   85  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     66  124  124     25   90  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     66  124  124      3    3   66   97  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     66  124  124      3    3    5   72  108  114  117  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     66  124  124      3    3   54  102  111  114  117  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     66  124  124     21   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     66  124  124     21   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     66  124  124     68   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     66  124  124     37   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     66  124  124     21   90  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     66  124  124     18   90  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     66  124  124     50   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     66  124  124     59   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     66  124  124     64   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     66  124  124     64   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     66  124  124     68   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     66  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     66  124  124     66   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     66  124  124     61   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     66  124  124      3   47  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     66  124  124      3   20   69   99  110  114  117  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B     45  124  124      3    4    5   14   56  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      5  124  124      4    4    7   13  103  114  118  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      5  124  124      4    4    5    7   38   92  116  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      5  124  124      4   14   60  100  108  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      5  124  124      4   10   15   29   51  112  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      4  124  124      4    4    9   13   32   59  104  119  121  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B      6  124  124      4   10   18  103  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     19  124  124     18   90  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     19  124  124     51   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     19  124  124      5   90  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     19  124  124      4   40   83  102  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     19  124  124      4   26   86  102  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     19  124  124     37   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     19  124  124     60   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     19  124  124     18   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     19  124  124      9   86  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     19  124  124     69   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     19  124  124     63   91  101  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     19  124  124      0   57   96  107  111  114  118  120  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  79.00  (  37.01  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     69     91    101    107    111    114    118    120    122    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  55.65  73.39  81.45  86.29  89.52  91.94  95.16  96.77  98.39 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.49   0.62   0.75   0.92   1.06   1.28   1.35   1.48   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64
GDT RMS_ALL_AT   1.68   1.66   1.67   1.68   1.66   1.65   1.64   1.65   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    77_B      Y    77_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  F   106_B      F   106_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.585     0    0.097   1.351     4.996   70.833   63.122
LGA    V     2_B      V     2_B     1.406     0    0.048   0.897     3.076   79.286   73.265
LGA    Q     3_B      Q     3_B     0.448     0    0.029   0.952     5.670   97.619   74.286
LGA    L     4_B      L     4_B     0.282     0    0.022   0.066     0.427  100.000  100.000
LGA    V     5_B      V     5_B     0.430     0    0.046   0.105     0.983   97.619   94.558
LGA    E     6_B      E     6_B     0.448     0    0.047   0.861     2.127  100.000   88.889
LGA    S     7_B      S     7_B     0.377     0    0.058   0.668     2.025  100.000   92.540
LGA    G     8_B      G     8_B     0.322     0    0.679   0.679     2.585   86.905   86.905
LGA    G     9_B      G     9_B     1.111     0    0.157   0.157     2.232   75.119   75.119
LGA    G    10_B      G    10_B     0.254     0    0.022   0.022     0.509   97.619   97.619
LGA    S    11_B      S    11_B     0.318     0    0.075   0.727     2.342   97.619   92.540
LGA    V    12_B      V    12_B     0.439     0    0.103   1.017     2.279   97.619   87.211
LGA    Q    13_B      Q    13_B     0.461     0    0.031   0.946     4.249  100.000   80.265
LGA    A    14_B      A    14_B     0.087     0    0.012   0.019     0.303  100.000  100.000
LGA    G    15_B      G    15_B     0.395     0    0.033   0.033     0.473  100.000  100.000
LGA    G    16_B      G    16_B     0.389     0    0.031   0.031     0.421  100.000  100.000
LGA    S    17_B      S    17_B     0.295     0    0.065   0.675     2.650  100.000   92.857
LGA    L    18_B      L    18_B     0.578     0    0.038   0.637     2.410   95.238   87.440
LGA    R    19_B      R    19_B     0.419     0    0.039   1.238     5.726   97.619   80.043
LGA    L    20_B      L    20_B     0.303     0    0.018   0.090     0.568  100.000   98.810
LGA    S    21_B      S    21_B     0.343     0    0.062   0.650     1.779  100.000   93.889
LGA    C    22_B      C    22_B     0.443     0    0.034   0.080     0.930   95.238   93.651
LGA    A    23_B      A    23_B     0.795     0    0.044   0.071     0.860   92.857   92.381
LGA    A    24_B      A    24_B     0.804     0    0.015   0.023     0.927   90.476   90.476
LGA    S    25_B      S    25_B     0.584     0    0.062   0.601     2.370   95.238   89.365
LGA    G    26_B      G    26_B     0.916     0    0.638   0.638     1.600   86.071   86.071
LGA    S    27_B      S    27_B     3.142     0    0.418   0.709     6.295   44.167   38.492
LGA    T    28_B      T    28_B     3.583     0    0.069   1.060     6.212   46.667   38.912
LGA    V    29_B      V    29_B     5.251     0    0.071   0.068     9.570   34.524   21.497
LGA    S    30_B      S    30_B     1.918     0    0.049   0.669     3.695   69.048   64.048
LGA    A    31_B      A    31_B     2.805     0    0.039   0.036     3.986   59.762   56.476
LGA    Y    32_B      Y    32_B     1.664     0    0.025   1.334     6.613   79.405   58.095
LGA    Y    33_B      Y    33_B     1.131     0    0.123   0.408     3.918   85.952   67.143
LGA    M    34_B      M    34_B     0.387     0    0.081   0.839     2.578   95.238   86.667
LGA    A    35_B      A    35_B     0.458     0    0.045   0.046     0.458  100.000  100.000
LGA    W    36_B      W    36_B     0.380     0    0.039   0.128     0.456  100.000  100.000
LGA    F    37_B      F    37_B     0.326     0    0.034   0.078     0.784  100.000   96.537
LGA    R    38_B      R    38_B     0.489     0    0.058   0.540     1.479  100.000   93.160
LGA    Q    39_B      Q    39_B     0.281     0    0.032   0.188     0.765  100.000   97.884
LGA    A    40_B      A    40_B     0.659     0    0.045   0.041     0.981   90.476   90.476
LGA    P    41_B      P    41_B     1.426     0    0.019   0.336     2.185   77.143   76.599
LGA    G    42_B      G    42_B     2.306     0    0.158   0.158     3.086   63.095   63.095
LGA    K    43_B      K    43_B     1.815     0    0.033   0.588     2.308   72.857   73.915
LGA    G    44_B      G    44_B     1.425     0    0.114   0.114     1.575   79.286   79.286
LGA    R    45_B      R    45_B     0.432     0    0.061   0.658     1.655   92.976   88.182
LGA    E    46_B      E    46_B     0.565     0    0.024   0.196     0.942   95.238   92.593
LGA    G    47_B      G    47_B     0.475     0    0.036   0.036     0.563   95.238   95.238
LGA    V    48_B      V    48_B     0.330     0    0.027   0.067     0.444  100.000  100.000
LGA    A    49_B      A    49_B     0.331     0    0.039   0.036     0.437  100.000  100.000
LGA    V    50_B      V    50_B     0.276     0    0.029   1.107     2.540  100.000   88.844
LGA    I    51_B      I    51_B     0.309     0    0.068   1.021     2.794   84.405   75.655
LGA    G    52_B      G    52_B     2.847     0    0.072   0.072     3.592   55.833   55.833
LGA    G    53_B      G    53_B     3.856     0    0.367   0.367     3.856   48.452   48.452
LGA    S    54_B      S    54_B     3.313     0    0.617   0.598     5.304   42.381   39.683
LGA    G    55_B      G    55_B     0.863     0    0.030   0.030     1.068   85.952   85.952
LGA    V    56_B      V    56_B     0.710     0    0.024   0.082     1.376   90.476   89.184
LGA    Y    57_B      Y    57_B     0.361     0    0.041   0.158     0.721   95.238   98.413
LGA    A    58_B      A    58_B     0.714     0    0.013   0.012     0.802   92.857   92.381
LGA    D    59_B      D    59_B     1.082     0    0.026   0.123     1.426   83.690   83.690
LGA    A    60_B      A    60_B     1.326     0    0.017   0.023     1.434   81.429   81.429
LGA    V    61_B      V    61_B     0.868     0    0.022   0.107     0.983   90.476   90.476
LGA    K    62_B      K    62_B     0.702     0    0.021   0.621     2.266   88.214   84.603
LGA    G    63_B      G    63_B     0.891     0    0.009   0.009     1.075   88.214   88.214
LGA    R    64_B      R    64_B     0.790     0    0.022   0.226     1.684   90.476   85.628
LGA    F    65_B      F    65_B     0.468     0    0.006   0.066     0.836   97.619   93.939
LGA    T    66_B      T    66_B     0.390     0    0.037   0.108     0.633  100.000   97.279
LGA    I    67_B      I    67_B     0.411     0    0.044   0.074     0.569  100.000   98.810
LGA    S    68_B      S    68_B     0.400     0    0.028   0.099     0.455  100.000  100.000
LGA    Q    69_B      Q    69_B     0.430     0    0.090   0.178     0.785   97.619   97.884
LGA    D    70_B      D    70_B     0.423     0    0.080   0.141     0.944   97.619   94.048
LGA    N    71_B      N    71_B     0.233     0    0.068   1.095     2.676   97.619   88.869
LGA    A    72_B      A    72_B     0.660     0    0.047   0.048     0.957   95.238   94.286
LGA    K    73_B      K    73_B     0.547     0    0.031   1.007     3.513   92.857   84.339
LGA    N    74_B      N    74_B     0.487     0    0.033   0.766     2.683   95.238   86.429
LGA    T    75_B      T    75_B     0.489     0    0.051   1.050     2.729   95.238   86.122
LGA    L    76_B      L    76_B     0.418     0    0.059   0.734     2.671   97.619   88.810
LGA    Y    77_B      Y    77_B     0.236     0    0.018   0.172     0.458  100.000  100.000
LGA    L    78_B      L    78_B     0.261     0    0.037   0.050     0.398  100.000  100.000
LGA    Q    79_B      Q    79_B     0.362     0    0.039   0.931     4.570  100.000   82.857
LGA    M    80_B      M    80_B     0.551     0    0.046   0.105     0.817   95.238   92.857
LGA    N    81_B      N    81_B     0.402     0    0.041   0.288     1.152   97.619   96.488
LGA    S    82_B      S    82_B     0.239     0    0.020   0.025     0.333  100.000  100.000
LGA    L    83_B      L    83_B     0.349     0    0.066   0.057     0.403  100.000  100.000
LGA    K    84_B      K    84_B     0.269     0    0.023   0.700     1.995  100.000   89.841
LGA    P    85_B      P    85_B     0.603     0    0.043   0.035     0.712   92.857   91.837
LGA    E    86_B      E    86_B     0.681     0    0.014   1.027     3.284   90.476   83.016
LGA    D    87_B      D    87_B     0.448     0    0.021   0.085     0.508   97.619   98.810
LGA    T    88_B      T    88_B     0.552     0    0.028   0.101     0.791   90.476   90.476
LGA    A    89_B      A    89_B     0.566     0    0.028   0.034     0.600   95.238   94.286
LGA    M    90_B      M    90_B     0.284     0    0.030   0.327     1.586  100.000   93.095
LGA    Y    91_B      Y    91_B     0.234     0    0.048   0.100     0.518  100.000   99.206
LGA    Y    92_B      Y    92_B     0.226     0    0.010   0.067     0.314  100.000  100.000
LGA    C    93_B      C    93_B     0.293     0    0.021   0.159     0.752  100.000   98.413
LGA    A    94_B      A    94_B     0.323     0    0.025   0.026     0.491  100.000  100.000
LGA    A    95_B      A    95_B     0.583     0    0.030   0.037     0.874   92.857   92.381
LGA    Y    96_B      Y    96_B     0.685     0    0.265   0.791     1.943   90.476   83.016
LGA    W    97_B      W    97_B     2.179     0    0.600   0.557     4.524   59.524   47.245
LGA    K    98_B      K    98_B     3.690     0    0.035   0.738    13.707   53.810   27.937
LGA    G    99_B      G    99_B     3.859     0    0.160   0.160     5.686   40.238   40.238
LGA    Y   100_B      Y   100_B     4.542     0    0.417   1.155    12.342   28.571   17.024
LGA    K   101_B      K   101_B     5.617     0    0.277   0.797     7.493   23.095   17.778
LGA    Y   102_B      Y   102_B     4.351     0    0.055   1.326    13.507   40.238   18.175
LGA    H   103_B      H   103_B     4.056     0    0.214   0.994    10.334   50.833   27.619
LGA    P   104_B      P   104_B     6.214     0    0.074   0.130     9.690   24.048   15.238
LGA    K   105_B      K   105_B     2.689     0    0.370   0.450     5.795   53.810   48.889
LGA    F   106_B      F   106_B     1.383     0    0.541   0.520     3.379   69.286   69.004
LGA    D   107_B      D   107_B     0.872     0    0.161   0.320     1.409   90.476   85.952
LGA    D   108_B      D   108_B     1.152     0    0.026   0.919     2.124   81.548   80.595
LGA    S   109_B      S   109_B     2.928     0    0.062   0.060     3.679   53.810   51.429
LGA    A   110_B      A   110_B     3.014     0    0.134   0.139     3.620   51.905   51.524
LGA    Y   111_B      Y   111_B     1.074     0    0.016   0.194     1.535   81.548   87.500
LGA    E   112_B      E   112_B     0.744     0    0.021   0.202     0.926   90.476   90.476
LGA    Y   113_B      Y   113_B     0.381     0    0.007   0.132     0.531   97.619   99.206
LGA    W   114_B      W   114_B     0.257     0    0.021   0.104     0.662  100.000   97.959
LGA    G   115_B      G   115_B     0.245     0    0.091   0.091     0.418  100.000  100.000
LGA    Q   116_B      Q   116_B     0.836     0    0.640   1.267     4.319   78.095   68.677
LGA    G   117_B      G   117_B     1.143     0    0.114   0.114     1.402   83.690   83.690
LGA    T   118_B      T   118_B     0.188     0    0.043   0.930     1.937  100.000   90.884
LGA    Q   119_B      Q   119_B     0.247     0    0.043   0.878     3.653  100.000   84.233
LGA    V   120_B      V   120_B     0.329     0    0.020   0.036     0.472  100.000  100.000
LGA    T   121_B      T   121_B     0.451     0    0.041   0.122     0.691  100.000   98.639
LGA    V   122_B      V   122_B     0.446     0    0.124   0.133     0.631   97.619   98.639
LGA    S   123_B      S   123_B     0.635     0    0.131   0.192     0.892   90.476   92.063
LGA    S   124_B      S   124_B     2.003     0    0.335   0.375     2.729   69.048   66.349

# 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):     1.638          1.658                  2.413           86.060   81.713

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    120    1.35    89.113    93.845     8.275

LGA_LOCAL      RMSD:   1.350  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.649  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.638  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.734344 * X  +  -0.506712 * Y  +   0.451643 * Z  +  15.069661
  Y_new =   0.353571 * X  +  -0.282430 * Y  +  -0.891752 * Z  + -35.513378
  Z_new =   0.579419 * X  +   0.814540 * Y  +  -0.028242 * Z  +   5.354009 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.448721 -0.618016  1.605455   [DEG:   25.7098  -35.4097   91.9858 ]
ZXZ:  0.468808  1.599042  0.618300   [DEG:   26.8607   91.6184   35.4260 ]
 
# END of job
