
#######################################################
#                                                     #
#                        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       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      47_A - 106_A       0.99     1.39
  LCS_AVERAGE:     49.57

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     23   79   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     46  109  109     37   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     46  109  109     63   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     46  109  109     10   81   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     46  109  109     59   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     46  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     46  109  109     34   81   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     46  109  109     12   81   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     46  109  109     15   64   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     46  109  109      4   50   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     46  109  109      8   47   90  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     46  109  109      9   29   86  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     46  109  109     10   61   90  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     46  109  109      9   48   90  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     46  109  109      9   15   44   86  102  106  106  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     46  109  109      9   15   84   97  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     58  109  109     35   81   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     58  109  109      9   63   90  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     59  109  109     10   63   90  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     60  109  109     39   81   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     60  109  109      9   65   89  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     60  109  109      6   22   39   94  103  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     60  109  109      3   59   89   99  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     60  109  109      3    3   71   90   98  102  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     60  109  109      3   65   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     60  109  109     51   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     60  109  109     48   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     60  109  109     50   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     60  109  109      7   75   90  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     60  109  109     50   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     60  109  109     59   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     60  109  109     67   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     60  109  109     54   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     60  109  109     48   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     60  109  109     61   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     60  109  109     36   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     60  109  109     29   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     60  109  109     19   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     60  109  109     36   82   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     60  109  109     29   79   91  100  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     60  109  109     28   74   91   98  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     59  109  109     32   79   91   98  104  106  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      5   43   75   90   98  102  107  108  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     24  109  109      3    3    4    5    6    7    8   99  103  108  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  83.19  (  49.57  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     67     82     91    100    104    106    107    108    108    108    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  61.47  75.23  83.49  91.74  95.41  97.25  98.17  99.08  99.08  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.49   0.64   0.88   0.98   1.07   1.15   1.19   1.19   1.19   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.44   1.41   1.40   1.39   1.38   1.40   1.38   1.38   1.38   1.38   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# 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     1.730     0    0.048   0.048     1.737   77.143   77.143
LGA    P     2_A      P     2_A     1.210     0    0.045   0.217     1.862   85.952   80.340
LGA    I     3_A      I     3_A     0.507     0    0.060   1.051     3.102   95.238   81.607
LGA    I     4_A      I     4_A     0.551     0    0.045   0.883     2.483   92.857   85.119
LGA    E     5_A      E     5_A     0.582     0    0.011   0.960     5.163   95.238   74.286
LGA    N     6_A      N     6_A     0.272     0    0.016   0.075     0.704  100.000   98.810
LGA    C     7_A      C     7_A     0.221     0    0.019   0.048     0.250  100.000  100.000
LGA    A     8_A      A     8_A     0.311     0    0.067   0.078     0.316  100.000  100.000
LGA    A     9_A      A     9_A     0.196     0    0.044   0.041     0.537   97.619   98.095
LGA    F    10_A      F    10_A     0.194     0    0.014   0.036     0.527  100.000   98.268
LGA    I    11_A      I    11_A     0.183     0    0.009   0.073     0.478  100.000  100.000
LGA    E    12_A      E    12_A     0.441     0    0.013   0.050     0.661   97.619   95.767
LGA    K    13_A      K    13_A     0.671     0    0.076   1.300     6.494   88.214   68.307
LGA    T    14_A      T    14_A     1.058     0    0.089   0.987     2.597   88.214   80.612
LGA    M    15_A      M    15_A     0.607     0    0.071   0.272     0.745   92.857   91.667
LGA    S    16_A      S    16_A     0.888     0    0.074   0.139     1.434   90.476   87.460
LGA    K    17_A      K    17_A     0.612     0    0.010   0.994     3.624   92.857   85.767
LGA    Y    18_A      Y    18_A     0.506     0    0.049   0.093     0.613   95.238   97.619
LGA    A    19_A      A    19_A     0.439     0    0.037   0.047     0.544  100.000   98.095
LGA    I    20_A      I    20_A     0.508     0    0.014   0.024     0.829   92.857   91.667
LGA    T    21_A      T    21_A     0.556     0    0.017   0.060     0.935   95.238   93.197
LGA    L    22_A      L    22_A     0.593     0    0.031   0.081     0.936   90.476   90.476
LGA    S    23_A      S    23_A     0.430     0    0.057   0.075     0.641   95.238   95.238
LGA    D    24_A      D    24_A     0.481     0    0.091   0.166     1.422   95.238   91.726
LGA    G    25_A      G    25_A     0.524     0    0.039   0.039     0.651   90.476   90.476
LGA    T    26_A      T    26_A     0.663     0    0.013   0.079     0.902   90.476   90.476
LGA    I    27_A      I    27_A     0.692     0    0.030   0.101     0.961   90.476   90.476
LGA    L    28_A      L    28_A     0.613     0    0.010   0.044     0.649   90.476   90.476
LGA    K    29_A      K    29_A     0.543     0    0.032   0.452     2.264   90.476   86.720
LGA    S    30_A      S    30_A     0.830     0    0.053   0.131     1.082   90.476   88.968
LGA    T    31_A      T    31_A     0.882     0    0.047   0.077     0.949   90.476   90.476
LGA    I    32_A      I    32_A     0.681     0    0.069   0.130     1.047   88.214   94.107
LGA    K    33_A      K    33_A     1.077     0    0.096   0.714     6.025   90.595   69.365
LGA    N    34_A      N    34_A     1.032     0    0.046   0.245     2.766   85.952   75.417
LGA    E    35_A      E    35_A     1.125     0    0.014   0.896     3.728   81.548   73.704
LGA    T    36_A      T    36_A     1.396     0    0.050   0.073     1.738   79.286   78.980
LGA    L    37_A      L    37_A     1.504     0    0.051   1.379     2.942   75.000   73.095
LGA    K    38_A      K    38_A     1.998     0    0.031   0.796     7.153   66.905   48.307
LGA    K    39_A      K    39_A     2.404     0    0.098   0.171     2.921   62.857   63.915
LGA    T    40_A      T    40_A     1.717     0    0.109   1.091     2.294   72.857   71.769
LGA    F    41_A      F    41_A     2.076     0    0.063   0.556     2.742   64.881   62.035
LGA    P    42_A      P    42_A     3.558     0    0.012   0.278     5.141   48.333   42.857
LGA    I    43_A      I    43_A     2.688     0    0.008   0.067     3.904   65.000   56.726
LGA    L    44_A      L    44_A     0.782     0    0.037   1.290     3.297   88.214   79.107
LGA    K    45_A      K    45_A     2.050     0    0.016   0.793     3.393   66.786   60.688
LGA    N    46_A      N    46_A     2.300     0    0.008   0.885     6.060   70.952   51.964
LGA    L    47_A      L    47_A     0.738     0    0.021   0.070     2.687   90.595   78.810
LGA    L    48_A      L    48_A     1.733     0    0.058   0.082     2.820   71.310   67.083
LGA    K    49_A      K    49_A     3.162     0    0.086   0.732     7.733   50.476   36.772
LGA    D    50_A      D    50_A     2.566     0    0.069   0.319     6.653   71.548   47.679
LGA    Q    51_A      Q    51_A     3.782     0    0.345   0.851    10.351   50.833   26.667
LGA    I    52_A      I    52_A     1.582     0    0.123   1.113     2.671   79.405   74.226
LGA    P    53_A      P    53_A     0.558     0    0.052   0.201     1.274   90.476   89.252
LGA    T    54_A      T    54_A     0.486     0    0.012   0.086     0.557   95.238   97.279
LGA    G    55_A      G    55_A     0.666     0    0.033   0.033     0.666   90.476   90.476
LGA    S    56_A      S    56_A     0.534     0    0.056   0.706     2.502   92.857   86.508
LGA    S    57_A      S    57_A     0.639     0    0.059   0.068     0.770   90.476   90.476
LGA    F    58_A      F    58_A     0.408     0    0.041   0.167     0.840  100.000   94.805
LGA    F    59_A      F    59_A     0.377     0    0.072   0.085     0.543  100.000   97.403
LGA    K    60_A      K    60_A     0.431     0    0.033   0.677     3.201   97.619   89.153
LGA    L    61_A      L    61_A     0.406     0    0.025   0.192     1.315   95.238   91.726
LGA    P    62_A      P    62_A     0.375     0    0.089   0.094     0.516   97.619   98.639
LGA    V    63_A      V    63_A     0.200     0    0.041   0.042     0.799  100.000   97.279
LGA    V    64_A      V    64_A     0.375     0    0.024   0.116     0.612   97.619   97.279
LGA    F    65_A      F    65_A     0.357     0    0.015   0.070     0.718  100.000   95.671
LGA    F    66_A      F    66_A     0.401     0    0.035   0.069     0.519  100.000   98.268
LGA    R    67_A      R    67_A     0.264     0    0.045   0.269     1.587  100.000   93.290
LGA    V    68_A      V    68_A     0.316     0    0.049   1.206     2.679  100.000   87.483
LGA    T    69_A      T    69_A     0.300     0    0.018   0.071     0.336  100.000  100.000
LGA    D    70_A      D    70_A     0.571     0    0.071   0.087     0.809   92.857   91.667
LGA    N    71_A      N    71_A     0.602     0    0.190   1.178     4.556   90.476   76.667
LGA    V    72_A      V    72_A     0.548     0    0.025   0.031     0.604   95.238   93.197
LGA    I    73_A      I    73_A     0.540     0    0.016   0.648     1.654   95.238   91.845
LGA    V    74_A      V    74_A     0.460     0    0.012   0.071     0.798   97.619   95.918
LGA    I    75_A      I    75_A     0.404     0    0.016   0.051     0.434  100.000  100.000
LGA    L    76_A      L    76_A     0.474     0    0.028   0.056     0.494  100.000  100.000
LGA    L    77_A      L    77_A     0.231     0    0.108   1.376     3.373   97.619   82.798
LGA    T    78_A      T    78_A     0.461     0    0.007   0.053     0.925   95.238   97.279
LGA    N    79_A      N    79_A     1.482     0    0.045   1.174     6.108   81.429   59.524
LGA    E    80_A      E    80_A     0.610     0    0.023   0.547     2.739   90.476   80.159
LGA    K    81_A      K    81_A     0.817     0    0.049   0.980     6.553   90.476   70.423
LGA    E    82_A      E    82_A     0.532     0    0.033   0.237     0.788   92.857   93.651
LGA    N    83_A      N    83_A     0.632     0    0.012   0.363     1.748   92.857   90.655
LGA    I    84_A      I    84_A     0.336     0    0.033   0.676     3.284  100.000   91.369
LGA    I    85_A      I    85_A     0.289     0    0.013   0.024     0.402  100.000  100.000
LGA    L    86_A      L    86_A     0.567     0    0.071   0.079     0.651   92.857   94.048
LGA    S    87_A      S    87_A     0.630     0    0.015   0.043     0.738   90.476   90.476
LGA    M    88_A      M    88_A     0.561     0    0.023   0.164     0.983   90.476   92.857
LGA    F    89_A      F    89_A     0.531     0    0.022   0.056     0.665   95.238   93.074
LGA    E    90_A      E    90_A     0.604     0    0.070   0.534     2.894   92.857   85.873
LGA    L    91_A      L    91_A     0.504     0    0.015   1.407     3.452   95.238   81.607
LGA    F    92_A      F    92_A     0.318     0    0.008   0.062     0.412  100.000  100.000
LGA    S    93_A      S    93_A     0.282     0    0.059   0.085     0.514  100.000   98.413
LGA    T    94_A      T    94_A     0.271     0    0.045   0.105     0.440  100.000  100.000
LGA    Q    95_A      Q    95_A     0.282     0    0.029   0.954     3.749  100.000   86.772
LGA    F    96_A      F    96_A     0.174     0    0.044   0.080     0.217  100.000  100.000
LGA    A    97_A      A    97_A     0.276     0    0.038   0.042     0.488  100.000  100.000
LGA    E    98_A      E    98_A     0.590     0    0.045   0.730     3.301   92.857   83.122
LGA    K    99_A      K    99_A     0.717     0    0.015   0.239     1.087   90.476   89.471
LGA    L   100_A      L   100_A     0.404     0    0.020   0.024     0.754   95.238   97.619
LGA    A   101_A      A   101_A     1.075     0    0.011   0.024     1.450   83.690   83.238
LGA    L   102_A      L   102_A     1.397     0    0.046   0.063     1.776   79.286   79.286
LGA    E   103_A      E   103_A     1.267     0    0.015   0.176     1.613   81.429   80.476
LGA    Y   104_A      Y   104_A     1.195     0    0.032   0.048     1.345   81.429   87.460
LGA    P   105_A      P   105_A     1.789     0    0.009   0.046     2.069   72.857   71.701
LGA    R   106_A      R   106_A     2.209     0    0.134   1.218     9.785   61.071   39.394
LGA    T   107_A      T   107_A     2.093     0    0.008   0.028     2.759   62.976   69.660
LGA    Y   108_A      Y   108_A     3.997     0    0.508   1.228    10.281   40.476   24.286
LGA    E   109_A      E   109_A     7.327     0    0.664   1.134    14.677    8.929    4.074

# 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):     1.372          1.382                  2.193           87.902   83.171

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    108    1.19    91.514    95.526     8.354

LGA_LOCAL      RMSD:   1.193  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.379  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.372  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.967304 * X  +  -0.224889 * Y  +  -0.117254 * Z  +  11.525403
  Y_new =  -0.192546 * X  +  -0.952082 * Y  +   0.237625 * Z  +   6.549146
  Z_new =  -0.165075 * X  +  -0.207279 * Y  +  -0.964254 * Z  +  12.693313 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.196486  0.165834 -2.929852   [DEG:  -11.2578    9.5016 -167.8682 ]
ZXZ: -2.683205  2.873410 -2.469056   [DEG: -153.7363  164.6343 -141.4665 ]
 
# END of job
