
#######################################################
#                                                     #
#                        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  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.29     1.29
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.29     1.29
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      44_A - 106_A       1.00     1.31
  LCS_AVERAGE:     51.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     G     1_A     G     1_A     41  109  109      8   78   91  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     46  109  109     36   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     46  109  109     63   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     46  109  109      6   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     46  109  109     63   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     46  109  109     34   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     46  109  109     57   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     46  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     46  109  109      8   80   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     46  109  109     11   73   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     46  109  109     14   46   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     46  109  109      4   50   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     46  109  109      7   42   90  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     46  109  109      8   31   79  100  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     46  109  109      9   58   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     46  109  109      9   41   90  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     46  109  109      9   17   60   84  104  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     46  109  109      9   16   85  100  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     63  109  109     50   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     63  109  109     23   70   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     63  109  109     13   69   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     63  109  109     54   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     63  109  109      9   31   90  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     63  109  109      7   25   70   99  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     63  109  109      3   80   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     63  109  109      3    4    5   57   87   98  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     63  109  109      4   60   91  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     63  109  109     50   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     63  109  109     63   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     63  109  109     63   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     63  109  109      5   68   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     63  109  109     54   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     63  109  109     53   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     63  109  109     65   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     63  109  109     62   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     63  109  109     59   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     63  109  109     63   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     63  109  109     35   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     63  109  109     32   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     63  109  109     36   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     63  109  109     36   83   93  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     63  109  109     30   81   91  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     63  109  109     30   79   91  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     62  109  109     30   81   91  102  105  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     60  109  109      3   29   77   93   99  106  107  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     58  109  109      3    3    6    9   16   62   98  105  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  83.84  (  51.53  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     65     83     93    102    105    106    107    108    108    109    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  59.63  76.15  85.32  93.58  96.33  97.25  98.17  99.08  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.45   0.70   0.88   0.98   1.03   1.08   1.16   1.16   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29
GDT RMS_ALL_AT   1.37   1.35   1.33   1.30   1.31   1.32   1.31   1.30   1.30   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   103_A      E   103_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.777     0    0.027   0.027     1.836   77.143   77.143
LGA    P     2_A      P     2_A     1.194     0    0.014   0.154     1.800   85.952   81.565
LGA    I     3_A      I     3_A     0.561     0    0.078   0.908     2.813   92.857   82.083
LGA    I     4_A      I     4_A     0.619     0    0.057   0.892     2.472   90.476   83.929
LGA    E     5_A      E     5_A     0.630     0    0.016   0.958     5.130   95.238   74.286
LGA    N     6_A      N     6_A     0.311     0    0.015   0.079     0.703  100.000   98.810
LGA    C     7_A      C     7_A     0.312     0    0.020   0.046     0.342  100.000  100.000
LGA    A     8_A      A     8_A     0.398     0    0.059   0.068     0.406  100.000  100.000
LGA    A     9_A      A     9_A     0.224     0    0.048   0.045     0.545   97.619   98.095
LGA    F    10_A      F    10_A     0.167     0    0.016   0.039     0.471  100.000  100.000
LGA    I    11_A      I    11_A     0.162     0    0.009   0.071     0.363  100.000  100.000
LGA    E    12_A      E    12_A     0.460     0    0.013   0.047     0.769   95.238   93.651
LGA    K    13_A      K    13_A     0.711     0    0.110   1.308     6.520   88.214   67.884
LGA    T    14_A      T    14_A     1.053     0    0.089   1.009     2.680   88.214   80.612
LGA    M    15_A      M    15_A     0.638     0    0.047   0.289     0.728   90.476   91.667
LGA    S    16_A      S    16_A     1.108     0    0.054   0.100     1.706   85.952   81.587
LGA    K    17_A      K    17_A     0.546     0    0.015   1.443     6.153   95.238   77.778
LGA    Y    18_A      Y    18_A     0.422     0    0.048   0.087     0.735   97.619   96.825
LGA    A    19_A      A    19_A     0.360     0    0.045   0.056     0.458  100.000  100.000
LGA    I    20_A      I    20_A     0.491     0    0.015   0.029     0.805   97.619   94.048
LGA    T    21_A      T    21_A     0.517     0    0.029   0.041     0.857   97.619   94.558
LGA    L    22_A      L    22_A     0.565     0    0.029   0.064     0.989   95.238   92.857
LGA    S    23_A      S    23_A     0.467     0    0.057   0.078     0.754   95.238   93.651
LGA    D    24_A      D    24_A     0.547     0    0.084   0.139     1.356   95.238   91.726
LGA    G    25_A      G    25_A     0.443     0    0.047   0.047     0.616   95.238   95.238
LGA    T    26_A      T    26_A     0.635     0    0.013   0.066     0.885   90.476   90.476
LGA    I    27_A      I    27_A     0.715     0    0.034   0.111     1.073   88.214   89.345
LGA    L    28_A      L    28_A     0.722     0    0.009   0.040     0.789   90.476   90.476
LGA    K    29_A      K    29_A     0.590     0    0.027   0.433     2.278   90.476   85.661
LGA    S    30_A      S    30_A     0.869     0    0.048   0.115     1.092   88.214   87.460
LGA    T    31_A      T    31_A     0.929     0    0.041   0.062     1.023   90.476   89.184
LGA    I    32_A      I    32_A     0.636     0    0.078   0.120     1.039   88.214   92.917
LGA    K    33_A      K    33_A     0.865     0    0.080   0.711     5.793   92.857   71.799
LGA    N    34_A      N    34_A     1.226     0    0.054   0.249     2.871   81.548   73.214
LGA    E    35_A      E    35_A     1.435     0    0.014   0.830     3.248   75.119   71.481
LGA    T    36_A      T    36_A     1.525     0    0.055   0.076     1.866   75.000   75.306
LGA    L    37_A      L    37_A     1.639     0    0.048   1.390     2.954   72.976   72.083
LGA    K    38_A      K    38_A     2.254     0    0.035   0.803     7.686   62.976   43.757
LGA    K    39_A      K    39_A     2.665     0    0.098   0.188     3.090   57.262   57.196
LGA    T    40_A      T    40_A     1.832     0    0.106   1.120     2.345   70.833   70.612
LGA    F    41_A      F    41_A     2.155     0    0.058   0.565     2.889   64.881   60.649
LGA    P    42_A      P    42_A     3.500     0    0.011   0.286     5.283   51.786   44.830
LGA    I    43_A      I    43_A     2.612     0    0.008   0.066     4.038   65.000   55.952
LGA    L    44_A      L    44_A     0.639     0    0.027   1.350     3.361   90.595   78.393
LGA    K    45_A      K    45_A     1.714     0    0.016   0.806     3.010   75.000   65.979
LGA    N    46_A      N    46_A     1.788     0    0.011   0.884     5.824   79.405   59.048
LGA    L    47_A      L    47_A     0.710     0    0.023   0.060     2.758   90.476   78.750
LGA    L    48_A      L    48_A     1.729     0    0.067   0.079     2.843   71.310   67.083
LGA    K    49_A      K    49_A     2.679     0    0.055   0.690     6.810   57.262   44.815
LGA    D    50_A      D    50_A     1.489     0    0.024   0.316     5.653   83.810   59.643
LGA    Q    51_A      Q    51_A     4.419     0    0.318   0.822    11.022   44.167   22.275
LGA    I    52_A      I    52_A     1.853     0    0.136   1.134     2.889   77.381   71.131
LGA    P    53_A      P    53_A     0.580     0    0.046   0.076     1.132   92.857   91.905
LGA    T    54_A      T    54_A     0.333     0    0.009   0.064     0.489  100.000  100.000
LGA    G    55_A      G    55_A     0.703     0    0.044   0.044     0.714   90.476   90.476
LGA    S    56_A      S    56_A     0.608     0    0.044   0.709     2.634   92.857   86.508
LGA    S    57_A      S    57_A     0.545     0    0.049   0.057     0.681   90.476   90.476
LGA    F    58_A      F    58_A     0.418     0    0.042   0.140     1.073  100.000   92.294
LGA    F    59_A      F    59_A     0.561     0    0.069   0.110     0.775   92.857   91.342
LGA    K    60_A      K    60_A     0.498     0    0.036   0.679     2.961   95.238   88.889
LGA    L    61_A      L    61_A     0.198     0    0.023   0.204     1.145   97.619   94.107
LGA    P    62_A      P    62_A     0.262     0    0.094   0.100     0.335  100.000  100.000
LGA    V    63_A      V    63_A     0.268     0    0.044   0.060     0.537  100.000   98.639
LGA    V    64_A      V    64_A     0.368     0    0.032   0.126     0.614   97.619   97.279
LGA    F    65_A      F    65_A     0.237     0    0.014   0.162     0.901  100.000   97.403
LGA    F    66_A      F    66_A     0.340     0    0.033   0.052     0.460  100.000  100.000
LGA    R    67_A      R    67_A     0.220     0    0.038   0.277     1.557  100.000   93.290
LGA    V    68_A      V    68_A     0.360     0    0.051   1.212     2.679  100.000   87.483
LGA    T    69_A      T    69_A     0.352     0    0.015   0.067     0.383  100.000  100.000
LGA    D    70_A      D    70_A     0.623     0    0.075   0.093     0.860   90.476   90.476
LGA    N    71_A      N    71_A     0.632     0    0.173   1.179     4.500   90.476   77.679
LGA    V    72_A      V    72_A     0.521     0    0.026   0.027     0.590   95.238   94.558
LGA    I    73_A      I    73_A     0.447     0    0.014   0.645     1.717  100.000   95.417
LGA    V    74_A      V    74_A     0.368     0    0.012   0.082     0.742  100.000   98.639
LGA    I    75_A      I    75_A     0.326     0    0.016   0.043     0.388  100.000  100.000
LGA    L    76_A      L    76_A     0.440     0    0.036   0.053     0.515   97.619   98.810
LGA    L    77_A      L    77_A     0.286     0    0.079   0.083     0.512   97.619   98.810
LGA    T    78_A      T    78_A     0.603     0    0.014   0.045     1.079   90.595   91.905
LGA    N    79_A      N    79_A     1.573     0    0.044   1.213     6.133   77.143   57.381
LGA    E    80_A      E    80_A     0.811     0    0.023   0.555     2.521   85.952   77.989
LGA    K    81_A      K    81_A     0.931     0    0.044   0.965     6.458   90.476   69.841
LGA    E    82_A      E    82_A     0.644     0    0.033   0.248     0.920   92.857   92.593
LGA    N    83_A      N    83_A     0.681     0    0.013   0.321     1.526   92.857   89.464
LGA    I    84_A      I    84_A     0.234     0    0.038   0.676     3.300  100.000   91.369
LGA    I    85_A      I    85_A     0.306     0    0.009   0.015     0.419  100.000  100.000
LGA    L    86_A      L    86_A     0.614     0    0.066   0.076     0.809   92.857   92.857
LGA    S    87_A      S    87_A     0.663     0    0.013   0.043     0.781   90.476   90.476
LGA    M    88_A      M    88_A     0.574     0    0.016   0.102     0.665   90.476   92.857
LGA    F    89_A      F    89_A     0.593     0    0.023   0.061     0.650   92.857   91.342
LGA    E    90_A      E    90_A     0.724     0    0.033   0.528     3.043   90.476   83.016
LGA    L    91_A      L    91_A     0.597     0    0.022   1.410     3.487   90.476   79.226
LGA    F    92_A      F    92_A     0.323     0    0.014   0.055     0.450  100.000  100.000
LGA    S    93_A      S    93_A     0.251     0    0.039   0.063     0.442  100.000  100.000
LGA    T    94_A      T    94_A     0.278     0    0.033   0.086     0.384  100.000  100.000
LGA    Q    95_A      Q    95_A     0.282     0    0.030   0.975     3.923  100.000   86.772
LGA    F    96_A      F    96_A     0.203     0    0.044   0.070     0.309  100.000  100.000
LGA    A    97_A      A    97_A     0.254     0    0.035   0.039     0.458  100.000  100.000
LGA    E    98_A      E    98_A     0.475     0    0.041   0.727     3.556   95.238   81.693
LGA    K    99_A      K    99_A     0.574     0    0.031   0.252     0.952   90.476   90.476
LGA    L   100_A      L   100_A     0.418     0    0.025   0.033     0.708   95.238   97.619
LGA    A   101_A      A   101_A     0.932     0    0.017   0.029     1.213   85.952   85.048
LGA    L   102_A      L   102_A     1.141     0    0.033   0.056     1.420   81.429   81.429
LGA    E   103_A      E   103_A     1.103     0    0.013   0.748     1.976   83.690   81.534
LGA    Y   104_A      Y   104_A     1.083     0    0.039   0.110     1.179   81.429   86.706
LGA    P   105_A      P   105_A     1.510     0    0.015   0.037     1.743   77.143   75.306
LGA    R   106_A      R   106_A     1.843     0    0.127   1.209     9.269   66.905   44.589
LGA    T   107_A      T   107_A     1.736     0    0.006   0.017     2.251   70.952   76.735
LGA    Y   108_A      Y   108_A     3.493     0    0.511   1.285    10.769   48.333   26.508
LGA    E   109_A      E   109_A     6.153     0    0.661   1.136    13.860   15.952    7.566

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     1.292          1.295                  2.142           88.204   83.434

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    108    1.16    92.202    95.964     8.558

LGA_LOCAL      RMSD:   1.162  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.298  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.292  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.874415 * X  +   0.339564 * Y  +  -0.346546 * Z  +  11.983953
  Y_new =   0.462311 * X  +  -0.366438 * Y  +   0.807460 * Z  +   8.170981
  Z_new =   0.147197 * X  +  -0.866267 * Y  +  -0.477403 * Z  +  13.270924 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.486350 -0.147733 -2.074486   [DEG:   27.8658   -8.4645 -118.8593 ]
ZXZ: -2.736187  2.068493  2.973280   [DEG: -156.7719  118.5159  170.3564 ]
 
# END of job
