
#######################################################
#                                                     #
#                        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 (  893),  selected  109 , name one
# Molecule2: number of CA atoms  123 (  980),  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      24_A - 132_A       1.44     1.44
  LCS_AVERAGE:     88.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109      24_A - 132_A       1.44     1.44
  LCS_AVERAGE:     88.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      48_A - 97_A        0.99     1.58
  LCS_AVERAGE:     32.48

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     E    24_A     E    24_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    25_A     E    25_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    26_A     F    26_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     H    27_A     H    27_A     35  109  109     34   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    28_A     K    28_A     35  109  109     38   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    29_A     L    29_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    30_A     A    30_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    31_A     N    31_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    32_A     F    32_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    33_A     T    33_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    34_A     I    34_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    35_A     N    35_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     H    36_A     H    36_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    38_A     L    38_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    39_A     E    39_A     35  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    40_A     K    40_A     35  109  109     32   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    41_A     I    41_A     35  109  109     18   69   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    42_A     E    42_A     35  109  109     24   73   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    43_A     D    43_A     35  109  109     30   78   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    44_A     Y    44_A     35  109  109      8   54   91  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    45_A     G    45_A     35  109  109      3   20   81  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    46_A     D    46_A     35  109  109     10   73   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    47_A     N    47_A     35  109  109     13   68   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    48_A     V    48_A     50  109  109     28   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    49_A     Q    49_A     50  109  109      3    4    4   11   50  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    50_A     I    50_A     50  109  109     14   77   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    51_A     D    51_A     50  109  109      3   31   92  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    52_A     G    52_A     50  109  109      4   79   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    53_A     F    53_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    54_A     D    54_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    55_A     I    55_A     50  109  109     38   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    56_A     D    56_A     50  109  109     27   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    57_A     Y    57_A     50  109  109     43   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    58_A     G    58_A     50  109  109     18   70   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    59_A     N    59_A     50  109  109      5    6   28   91  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    60_A     E    60_A     50  109  109      4   44   86  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    61_A     V    61_A     50  109  109     34   77   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    62_A     L    62_A     50  109  109     43   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    63_A     T    63_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    64_A     L    64_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    65_A     K    65_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    66_A     L    66_A     50  109  109     10   78   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    67_A     G    67_A     50  109  109     25   78   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    68_A     S    68_A     50  109  109     29   76   93  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    69_A     L    69_A     50  109  109     31   78   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    70_A     G    70_A     50  109  109     37   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    71_A     T    71_A     50  109  109     37   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    72_A     Y    72_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    73_A     V    73_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    74_A     L    74_A     50  109  109     34   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    75_A     N    75_A     50  109  109     34   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    76_A     K    76_A     50  109  109     29   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    77_A     Q    77_A     50  109  109     26   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     50  109  109     41   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    79_A     P    79_A     50  109  109     33   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    80_A     N    80_A     50  109  109     29   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    81_A     R    81_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    82_A     Q    82_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    83_A     I    83_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     W    84_A     W    84_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    85_A     M    85_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    86_A     S    86_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    88_A     P    88_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    89_A     V    89_A     50  109  109     32   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    90_A     S    90_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    91_A     G    91_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    92_A     P    92_A     50  109  109     43   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    94_A     R    94_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    95_A     F    95_A     50  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    96_A     D    96_A     50  109  109     46   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     W    97_A     W    97_A     50  109  109     37   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    98_A     D    98_A     42  109  109      3    4    5   53   73  103  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    99_A     R    99_A      4  109  109      3    4   32   67   84   96  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D   100_A     D   100_A      4  109  109      3    4    4    4    4    4    5   31   86  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A      4  109  109      3    4    5    6   59   79  102  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N   102_A     N   102_A     31  109  109     46   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   103_A     A   103_A     31  109  109     35   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     W   104_A     W   104_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I   105_A     I   105_A     31  109  109     45   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   106_A     Y   106_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   107_A     R   107_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   108_A     R   108_A     31  109  109      4   73   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   109_A     T   109_A     31  109  109     36   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   110_A     E   110_A     31  109  109     34   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   111_A     A   111_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K   112_A     K   112_A     31  109  109     42   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   113_A     L   113_A     31  109  109     38   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     H   114_A     H   114_A     31  109  109     43   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K   115_A     K   115_A     31  109  109     34   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   116_A     L   116_A     31  109  109     38   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   117_A     L   117_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   118_A     E   118_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   119_A     E   119_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   120_A     E   120_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   121_A     L   121_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   122_A     E   122_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N   123_A     N   123_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   124_A     L   124_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C   125_A     C   125_A     31  109  109     38   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G   126_A     G   126_A     31  109  109     47   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   127_A     E   127_A     31  109  109     35   80   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   128_A     P   128_A     31  109  109      4   48   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I   129_A     I   129_A     31  109  109     16   48   91  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q   130_A     Q   130_A     31  109  109      5   48   90  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   131_A     L   131_A     31  109  109     16   70   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S   132_A     S   132_A     31  109  109     18   75   94  102  104  105  106  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  69.91  (  32.48   88.62   88.62 )

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     47     80     94    102    104    105    106    107    108    109    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  38.21  65.04  76.42  82.93  84.55  85.37  86.18  86.99  87.80  88.62  88.62  88.62  88.62  88.62  88.62  88.62  88.62  88.62  88.62  88.62
GDT RMS_LOCAL    0.35   0.56   0.74   0.88   0.96   1.00   1.10   1.20   1.33   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44
GDT RMS_ALL_AT   1.46   1.45   1.46   1.46   1.47   1.47   1.46   1.45   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44   1.44

# Checking swapping
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    24_A      E    24_A     0.422     4    0.037   0.048     0.495  100.000   55.556
LGA    E    25_A      E    25_A     0.158     0    0.070   0.985     2.964  100.000   83.492
LGA    F    26_A      F    26_A     0.291     0    0.062   0.095     0.574  100.000   94.805
LGA    H    27_A      H    27_A     0.768     0    0.065   0.238     1.212   90.476   87.762
LGA    K    28_A      K    28_A     0.904     0    0.039   1.210     6.139   90.476   66.984
LGA    L    29_A      L    29_A     0.453     0    0.039   1.090     2.856   97.619   88.095
LGA    A    30_A      A    30_A     0.141     0    0.037   0.051     0.237  100.000  100.000
LGA    N    31_A      N    31_A     0.158     0    0.060   1.109     2.282  100.000   91.190
LGA    F    32_A      F    32_A     0.193     0    0.035   1.438     6.469  100.000   68.268
LGA    T    33_A      T    33_A     0.305     0    0.034   0.049     0.515  100.000   98.639
LGA    I    34_A      I    34_A     0.120     0    0.032   1.304     2.994  100.000   83.690
LGA    N    35_A      N    35_A     0.225     0    0.025   0.894     3.753  100.000   83.155
LGA    H    36_A      H    36_A     0.294     0    0.039   1.080     2.333  100.000   89.190
LGA    L    37_A      L    37_A     0.353     0    0.042   0.199     0.776  100.000   96.429
LGA    L    38_A      L    38_A     0.537     0    0.048   1.411     4.196   92.857   76.131
LGA    E    39_A      E    39_A     0.527     0    0.046   0.732     2.499   92.857   86.772
LGA    K    40_A      K    40_A     1.068     0    0.063   0.820     3.135   81.548   75.132
LGA    I    41_A      I    41_A     1.530     0    0.067   0.703     2.282   79.286   76.131
LGA    E    42_A      E    42_A     1.395     0    0.025   0.583     2.209   79.286   77.672
LGA    D    43_A      D    43_A     1.343     0    0.030   0.172     1.705   77.143   81.548
LGA    Y    44_A      Y    44_A     2.153     0    0.029   1.277     5.041   66.786   56.270
LGA    G    45_A      G    45_A     2.330     0    0.098   0.098     2.330   68.810   68.810
LGA    D    46_A      D    46_A     1.481     0    0.059   0.842     4.441   77.143   64.286
LGA    N    47_A      N    47_A     1.794     0    0.662   1.198     4.101   61.905   60.536
LGA    V    48_A      V    48_A     0.936     0    0.261   0.448     3.748   74.286   71.633
LGA    Q    49_A      Q    49_A     3.046     0    0.293   0.563    11.187   67.143   34.656
LGA    I    50_A      I    50_A     1.300     0    0.109   0.690     3.604   83.810   68.810
LGA    D    51_A      D    51_A     1.716     0    0.173   1.220     3.810   77.143   65.417
LGA    G    52_A      G    52_A     1.020     0    0.111   0.111     1.317   85.952   85.952
LGA    F    53_A      F    53_A     0.552     0    0.063   0.200     1.768   95.238   88.961
LGA    D    54_A      D    54_A     0.584     0    0.098   0.184     0.645   95.238   96.429
LGA    I    55_A      I    55_A     0.752     0    0.054   1.118     3.894   88.214   75.060
LGA    D    56_A      D    56_A     1.159     0    0.107   0.600     2.548   92.976   78.929
LGA    Y    57_A      Y    57_A     0.715     0    0.042   0.170     2.539   90.595   77.540
LGA    G    58_A      G    58_A     1.576     0    0.237   0.237     4.245   62.143   62.143
LGA    N    59_A      N    59_A     3.449     0    0.306   1.297     5.617   59.167   47.083
LGA    E    60_A      E    60_A     2.300     0    0.049   0.948     5.538   66.905   55.291
LGA    V    61_A      V    61_A     1.075     0    0.072   1.171     2.836   83.810   76.939
LGA    L    62_A      L    62_A     0.572     0    0.029   1.128     2.627   92.857   84.286
LGA    T    63_A      T    63_A     0.459     0    0.053   0.828     1.856  100.000   90.884
LGA    L    64_A      L    64_A     0.240     0    0.042   1.360     3.905  100.000   80.476
LGA    K    65_A      K    65_A     0.456     0    0.042   1.087     3.392  100.000   80.794
LGA    L    66_A      L    66_A     1.052     0    0.369   0.312     2.626   77.619   81.845
LGA    G    67_A      G    67_A     1.296     0    0.092   0.092     1.365   81.429   81.429
LGA    S    68_A      S    68_A     1.604     0    0.118   0.699     3.295   77.143   70.556
LGA    L    69_A      L    69_A     1.267     0    0.062   0.967     3.510   85.952   78.988
LGA    G    70_A      G    70_A     0.870     0    0.048   0.048     1.078   88.214   88.214
LGA    T    71_A      T    71_A     0.749     0    0.098   0.115     1.046   90.476   89.184
LGA    Y    72_A      Y    72_A     0.439     0    0.046   0.143     0.749   95.238   96.032
LGA    V    73_A      V    73_A     0.502     0    0.038   0.061     0.800   95.238   93.197
LGA    L    74_A      L    74_A     0.884     0    0.062   0.959     3.579   85.952   78.988
LGA    N    75_A      N    75_A     0.864     0    0.024   0.210     1.075   90.476   89.345
LGA    K    76_A      K    76_A     0.934     0    0.084   0.691     1.758   88.214   83.545
LGA    Q    77_A      Q    77_A     0.978     0    0.026   1.097     3.060   90.476   80.053
LGA    T    78_A      T    78_A     0.705     0    0.039   0.068     0.843   92.857   93.197
LGA    P    79_A      P    79_A     0.732     0    0.065   0.096     1.075   90.476   87.891
LGA    N    80_A      N    80_A     0.745     0    0.106   0.802     2.297   95.238   85.179
LGA    R    81_A      R    81_A     0.305     0    0.038   0.954     5.069   97.619   71.429
LGA    Q    82_A      Q    82_A     0.328     0    0.078   1.070     2.490   97.619   91.111
LGA    I    83_A      I    83_A     0.323     0    0.053   0.098     0.601  100.000   97.619
LGA    W    84_A      W    84_A     0.365     0    0.037   0.092     1.051   97.619   93.912
LGA    M    85_A      M    85_A     0.489     0    0.041   0.832     2.614  100.000   91.071
LGA    S    86_A      S    86_A     0.529     0    0.045   0.074     0.773   90.476   90.476
LGA    S    87_A      S    87_A     0.563     0    0.043   0.084     0.637   95.238   93.651
LGA    P    88_A      P    88_A     0.368     0    0.095   0.183     1.073   92.976   95.986
LGA    V    89_A      V    89_A     0.828     0    0.043   0.082     1.791   90.595   85.442
LGA    S    90_A      S    90_A     0.113     0    0.155   0.637     1.654   97.619   92.302
LGA    G    91_A      G    91_A     0.119     0    0.133   0.133     0.410  100.000  100.000
LGA    P    92_A      P    92_A     0.495     0    0.026   0.214     1.597  100.000   90.816
LGA    S    93_A      S    93_A     0.149     0    0.035   0.204     0.650  100.000   98.413
LGA    R    94_A      R    94_A     0.316     0    0.045   1.019     4.604  100.000   85.541
LGA    F    95_A      F    95_A     0.177     0    0.019   0.159     0.552  100.000   99.134
LGA    D    96_A      D    96_A     0.456     0    0.027   0.146     0.539  100.000   97.619
LGA    W    97_A      W    97_A     0.824     0    0.637   0.422     1.943   83.810   80.306
LGA    D    98_A      D    98_A     4.889     0    0.585   0.972     8.498   34.524   21.250
LGA    R    99_A      R    99_A     4.745     0    0.085   1.229     9.169   32.857   20.130
LGA    D   100_A      D   100_A     6.156     0    0.332   0.290     9.831   20.000   10.893
LGA    A   101_A      A   101_A     6.083     0    0.094   0.091     7.196   24.286   21.429
LGA    N   102_A      N   102_A     0.584     0    0.465   0.958     5.218   79.643   61.548
LGA    A   103_A      A   103_A     0.969     0    0.093   0.120     1.343   90.476   88.667
LGA    W   104_A      W   104_A     0.360     0    0.024   0.090     0.606   97.619   99.320
LGA    I   105_A      I   105_A     0.618     0    0.061   0.135     1.736   97.619   88.452
LGA    Y   106_A      Y   106_A     0.248     0    0.119   0.493     2.460   95.238   87.937
LGA    R   107_A      R   107_A     0.587     0    0.137   1.453     6.417   86.190   64.675
LGA    R   108_A      R   108_A     1.661     0    0.101   1.294     7.644   73.333   48.355
LGA    T   109_A      T   109_A     1.021     0    0.103   0.104     1.278   85.952   84.014
LGA    E   110_A      E   110_A     0.870     0    0.046   0.903     2.386   90.476   81.746
LGA    A   111_A      A   111_A     0.672     0    0.061   0.061     0.849   95.238   94.286
LGA    K   112_A      K   112_A     0.605     0    0.080   0.688     1.718   90.476   83.545
LGA    L   113_A      L   113_A     0.596     0    0.043   0.406     1.594   90.476   88.274
LGA    H   114_A      H   114_A     0.463     0    0.028   1.414     6.025   92.857   63.952
LGA    K   115_A      K   115_A     0.679     0    0.049   0.853     4.311   90.476   80.635
LGA    L   116_A      L   116_A     0.573     0    0.036   0.081     1.301   95.238   90.595
LGA    L   117_A      L   117_A     0.205     0    0.049   0.238     0.690  100.000   98.810
LGA    E   118_A      E   118_A     0.296     0    0.045   0.664     2.898  100.000   81.799
LGA    E   119_A      E   119_A     0.283     0    0.035   1.243     4.420  100.000   80.423
LGA    E   120_A      E   120_A     0.224     0    0.040   0.116     0.455  100.000  100.000
LGA    L   121_A      L   121_A     0.322     0    0.047   0.110     0.765  100.000   95.238
LGA    E   122_A      E   122_A     0.526     0    0.045   0.567     3.568   92.857   77.937
LGA    N   123_A      N   123_A     0.564     0    0.079   0.827     3.229   90.595   79.048
LGA    L   124_A      L   124_A     0.421     0    0.035   0.167     0.789   95.238   95.238
LGA    C   125_A      C   125_A     0.727     0    0.128   0.144     1.733   95.238   89.206
LGA    G   126_A      G   126_A     0.307     0    0.155   0.155     0.911   97.619   97.619
LGA    E   127_A      E   127_A     0.748     0    0.059   1.317     5.742   85.952   65.238
LGA    P   128_A      P   128_A     1.571     0    0.129   0.363     2.333   75.000   72.925
LGA    I   129_A      I   129_A     1.697     0    0.042   1.106     3.949   72.857   66.548
LGA    Q   130_A      Q   130_A     1.918     0    0.047   0.677     5.202   72.857   58.624
LGA    L   131_A      L   131_A     1.495     0    0.080   0.232     2.156   77.143   73.988
LGA    S   132_A      S   132_A     1.359     0    0.560   0.533     2.124   73.095   75.873

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     889    889  100.00               123
SUMMARY(RMSD_GDC):     1.441          1.425                  2.221           77.493   70.346

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  123    4.0    107    1.20    80.894    84.717     8.233

LGA_LOCAL      RMSD:   1.200  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.449  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.441  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.038325 * X  +   0.625083 * Y  +  -0.779617 * Z  +  -3.118166
  Y_new =  -0.545361 * X  +   0.666837 * Y  +   0.507848 * Z  + -57.613651
  Z_new =   0.837324 * X  +   0.405709 * Y  +   0.366453 * Z  + -14.942960 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.500636 -0.992371  0.836194   [DEG:  -85.9801  -56.8587   47.9104 ]
ZXZ: -2.148160  1.195603  1.119601   [DEG: -123.0805   68.5030   64.1484 ]
 
# END of job
