
#######################################################
#                                                     #
#                        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       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      47_A - 107_A       0.99     1.43
  LCS_AVERAGE:     49.12

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     28   82   90  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     41  109  109     39   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     44  109  109      6   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     44  109  109     55   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     44  109  109     34   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     44  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     44  109  109     18   75   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     44  109  109     14   71   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     44  109  109     14   52   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     44  109  109      4   54   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     44  109  109      6   35   85  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     44  109  109      8   26   72   99  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     44  109  109      8   55   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     44  109  109      8   52   90  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     44  109  109      8   18   43   83  101  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     44  109  109      8   15   83   98  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     44  109  109     53   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     44  109  109     12   67   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     56  109  109     15   69   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     61  109  109     14   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     61  109  109      8   24   89  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     61  109  109      8   24   71   97  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     61  109  109      3   66   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     61  109  109      3    4    4   45   90   95  103  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     61  109  109      4   61   90  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     61  109  109     43   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     61  109  109     61   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     61  109  109     56   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     61  109  109     56   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     61  109  109      4   79   90  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     61  109  109     55   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     61  109  109     56   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     61  109  109     61   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     61  109  109     56   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     61  109  109     63   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     61  109  109     50   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     61  109  109     42   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     61  109  109     61   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     61  109  109     33   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     61  109  109     28   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     61  109  109     23   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     61  109  109     32   83   91  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     61  109  109     28   82   90  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     61  109  109     21   73   90  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     61  109  109     28   82   90  100  105  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      3   22   75   92   98  103  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     26  109  109      3    3    6    6    9   16   19  101  106  108  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  83.04  (  49.12  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     63     83     91    100    105    106    106    107    108    108    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  57.80  76.15  83.49  91.74  96.33  97.25  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
GDT RMS_LOCAL    0.31   0.47   0.69   0.86   1.02   1.07   1.07   1.14   1.23   1.23   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38
GDT RMS_ALL_AT   1.47   1.43   1.41   1.40   1.41   1.41   1.41   1.40   1.39   1.39   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38

# 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
#   possible swapping detected:  Y   108_A      Y   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.607     0    0.030   0.030     1.710   77.143   77.143
LGA    P     2_A      P     2_A     1.051     0    0.020   0.150     1.653   85.952   81.565
LGA    I     3_A      I     3_A     0.539     0    0.052   0.980     3.351   90.476   79.048
LGA    I     4_A      I     4_A     0.596     0    0.051   0.872     2.432   90.476   83.929
LGA    E     5_A      E     5_A     0.578     0    0.018   0.963     5.001   95.238   75.026
LGA    N     6_A      N     6_A     0.287     0    0.019   0.088     0.653  100.000   98.810
LGA    C     7_A      C     7_A     0.272     0    0.019   0.045     0.302  100.000  100.000
LGA    A     8_A      A     8_A     0.349     0    0.063   0.075     0.359  100.000  100.000
LGA    A     9_A      A     9_A     0.227     0    0.042   0.040     0.484  100.000  100.000
LGA    F    10_A      F    10_A     0.173     0    0.013   0.045     0.504  100.000   99.134
LGA    I    11_A      I    11_A     0.173     0    0.015   0.073     0.394  100.000  100.000
LGA    E    12_A      E    12_A     0.452     0    0.018   0.051     0.762   97.619   93.651
LGA    K    13_A      K    13_A     0.664     0    0.094   1.317     6.511   88.214   68.677
LGA    T    14_A      T    14_A     1.034     0    0.101   0.988     2.644   88.214   80.612
LGA    M    15_A      M    15_A     0.613     0    0.047   0.282     0.721   92.857   92.857
LGA    S    16_A      S    16_A     1.092     0    0.077   0.135     1.675   88.214   83.095
LGA    K    17_A      K    17_A     0.571     0    0.012   1.005     3.866   92.857   85.767
LGA    Y    18_A      Y    18_A     0.529     0    0.035   0.074     0.759   92.857   91.270
LGA    A    19_A      A    19_A     0.458     0    0.039   0.046     0.542  100.000   98.095
LGA    I    20_A      I    20_A     0.552     0    0.014   0.029     0.789   90.476   90.476
LGA    T    21_A      T    21_A     0.542     0    0.011   0.057     0.969   92.857   91.837
LGA    L    22_A      L    22_A     0.627     0    0.030   0.076     1.027   90.476   89.345
LGA    S    23_A      S    23_A     0.513     0    0.054   0.075     0.844   90.476   90.476
LGA    D    24_A      D    24_A     0.618     0    0.091   0.161     1.521   90.476   87.143
LGA    G    25_A      G    25_A     0.554     0    0.036   0.036     0.659   90.476   90.476
LGA    T    26_A      T    26_A     0.704     0    0.014   0.070     0.983   90.476   90.476
LGA    I    27_A      I    27_A     0.734     0    0.026   0.097     1.030   88.214   89.345
LGA    L    28_A      L    28_A     0.732     0    0.011   0.039     0.774   90.476   90.476
LGA    K    29_A      K    29_A     0.614     0    0.035   0.470     2.446   90.476   85.661
LGA    S    30_A      S    30_A     0.876     0    0.023   0.049     1.048   88.214   88.968
LGA    T    31_A      T    31_A     0.921     0    0.084   0.116     1.108   90.476   89.184
LGA    I    32_A      I    32_A     0.659     0    0.056   0.096     0.980   90.476   92.857
LGA    K    33_A      K    33_A     0.898     0    0.089   0.710     5.796   90.476   70.741
LGA    N    34_A      N    34_A     1.255     0    0.053   0.248     2.937   81.548   72.262
LGA    E    35_A      E    35_A     1.461     0    0.011   0.797     3.062   75.119   71.481
LGA    T    36_A      T    36_A     1.610     0    0.073   0.088     2.017   72.976   72.925
LGA    L    37_A      L    37_A     1.713     0    0.055   1.380     2.970   70.833   71.012
LGA    K    38_A      K    38_A     2.327     0    0.037   0.803     7.766   60.952   42.857
LGA    K    39_A      K    39_A     2.750     0    0.092   0.185     3.142   55.357   55.556
LGA    T    40_A      T    40_A     1.841     0    0.125   1.149     2.247   70.833   69.388
LGA    F    41_A      F    41_A     2.197     0    0.064   0.589     3.101   62.857   58.571
LGA    P    42_A      P    42_A     3.614     0    0.009   0.285     5.425   48.333   42.857
LGA    I    43_A      I    43_A     2.638     0    0.008   0.068     4.051   65.000   55.952
LGA    L    44_A      L    44_A     0.464     0    0.025   0.081     1.437   92.976   90.655
LGA    K    45_A      K    45_A     1.808     0    0.020   0.776     3.227   75.000   65.132
LGA    N    46_A      N    46_A     1.793     0    0.012   0.873     5.827   79.405   59.048
LGA    L    47_A      L    47_A     0.727     0    0.020   0.048     2.788   88.214   76.667
LGA    L    48_A      L    48_A     1.889     0    0.061   0.114     2.867   71.310   69.107
LGA    K    49_A      K    49_A     2.791     0    0.065   0.675     6.432   57.262   44.921
LGA    D    50_A      D    50_A     1.599     0    0.057   0.305     4.999   70.833   56.786
LGA    Q    51_A      Q    51_A     4.960     0    0.334   0.798    11.487   37.976   18.783
LGA    I    52_A      I    52_A     2.057     0    0.142   1.146     2.943   71.190   68.036
LGA    P    53_A      P    53_A     0.793     0    0.047   0.072     1.397   88.214   86.599
LGA    T    54_A      T    54_A     0.186     0    0.017   0.038     0.446  100.000  100.000
LGA    G    55_A      G    55_A     0.635     0    0.037   0.037     0.791   92.857   92.857
LGA    S    56_A      S    56_A     0.715     0    0.045   0.718     2.877   92.857   86.508
LGA    S    57_A      S    57_A     0.592     0    0.081   0.112     0.824   90.476   90.476
LGA    F    58_A      F    58_A     0.364     0    0.054   0.105     0.811  100.000   94.805
LGA    F    59_A      F    59_A     0.447     0    0.071   0.111     0.630  100.000   93.939
LGA    K    60_A      K    60_A     0.397     0    0.035   0.681     3.025  100.000   90.212
LGA    L    61_A      L    61_A     0.268     0    0.026   0.196     1.167   97.619   92.917
LGA    P    62_A      P    62_A     0.280     0    0.093   0.099     0.391  100.000  100.000
LGA    V    63_A      V    63_A     0.203     0    0.043   0.063     0.554  100.000   98.639
LGA    V    64_A      V    64_A     0.346     0    0.031   0.118     0.553   97.619   97.279
LGA    F    65_A      F    65_A     0.282     0    0.017   0.066     0.503  100.000   99.134
LGA    F    66_A      F    66_A     0.379     0    0.038   0.075     0.512  100.000   98.268
LGA    R    67_A      R    67_A     0.260     0    0.033   0.443     2.797  100.000   89.481
LGA    V    68_A      V    68_A     0.360     0    0.061   1.214     2.754  100.000   88.639
LGA    T    69_A      T    69_A     0.433     0    0.027   0.082     0.463  100.000  100.000
LGA    D    70_A      D    70_A     0.766     0    0.117   0.155     1.478   88.214   88.214
LGA    N    71_A      N    71_A     0.703     0    0.187   1.180     4.588   90.476   76.667
LGA    V    72_A      V    72_A     0.549     0    0.019   0.027     0.606   95.238   94.558
LGA    I    73_A      I    73_A     0.513     0    0.010   0.640     1.703   95.238   93.036
LGA    V    74_A      V    74_A     0.415     0    0.011   0.071     0.764  100.000   97.279
LGA    I    75_A      I    75_A     0.357     0    0.015   0.065     0.375  100.000  100.000
LGA    L    76_A      L    76_A     0.436     0    0.033   0.052     0.481  100.000  100.000
LGA    L    77_A      L    77_A     0.289     0    0.100   0.087     0.568   97.619   98.810
LGA    T    78_A      T    78_A     0.510     0    0.007   0.051     0.894   92.857   94.558
LGA    N    79_A      N    79_A     1.448     0    0.045   1.201     6.042   81.429   60.536
LGA    E    80_A      E    80_A     0.698     0    0.024   0.557     2.662   88.214   78.095
LGA    K    81_A      K    81_A     0.894     0    0.043   0.963     6.492   90.476   69.841
LGA    E    82_A      E    82_A     0.585     0    0.034   0.260     0.868   92.857   93.651
LGA    N    83_A      N    83_A     0.639     0    0.017   0.369     1.697   92.857   89.464
LGA    I    84_A      I    84_A     0.337     0    0.038   0.679     3.345  100.000   91.369
LGA    I    85_A      I    85_A     0.279     0    0.012   0.018     0.434  100.000  100.000
LGA    L    86_A      L    86_A     0.584     0    0.066   0.074     0.712   92.857   92.857
LGA    S    87_A      S    87_A     0.660     0    0.013   0.044     0.779   90.476   90.476
LGA    M    88_A      M    88_A     0.612     0    0.017   0.121     0.688   90.476   91.667
LGA    F    89_A      F    89_A     0.600     0    0.025   0.080     0.759   92.857   91.342
LGA    E    90_A      E    90_A     0.675     0    0.031   0.537     3.025   90.476   83.016
LGA    L    91_A      L    91_A     0.564     0    0.024   1.410     3.477   95.238   81.607
LGA    F    92_A      F    92_A     0.307     0    0.012   0.064     0.429  100.000  100.000
LGA    S    93_A      S    93_A     0.268     0    0.056   0.076     0.505  100.000   98.413
LGA    T    94_A      T    94_A     0.182     0    0.038   0.093     0.289  100.000  100.000
LGA    Q    95_A      Q    95_A     0.245     0    0.026   0.980     3.882  100.000   86.772
LGA    F    96_A      F    96_A     0.179     0    0.041   0.080     0.273  100.000  100.000
LGA    A    97_A      A    97_A     0.319     0    0.040   0.045     0.556   97.619   98.095
LGA    E    98_A      E    98_A     0.661     0    0.044   0.744     3.413   90.476   80.159
LGA    K    99_A      K    99_A     0.716     0    0.027   0.228     1.025   90.476   89.471
LGA    L   100_A      L   100_A     0.431     0    0.025   0.029     0.734   95.238   97.619
LGA    A   101_A      A   101_A     1.077     0    0.015   0.027     1.407   83.690   83.238
LGA    L   102_A      L   102_A     1.352     0    0.038   0.054     1.634   79.286   79.286
LGA    E   103_A      E   103_A     1.191     0    0.015   0.746     1.931   81.429   81.481
LGA    Y   104_A      Y   104_A     1.126     0    0.045   0.053     1.249   81.429   87.460
LGA    P   105_A      P   105_A     1.643     0    0.020   0.037     1.910   75.000   74.082
LGA    R   106_A      R   106_A     2.056     0    0.108   1.182     9.788   63.095   40.476
LGA    T   107_A      T   107_A     2.061     0    0.017   0.026     2.661   62.976   68.435
LGA    Y   108_A      Y   108_A     4.008     0    0.499   1.050    10.276   40.476   22.302
LGA    E   109_A      E   109_A     7.104     0    0.660   1.127    14.512    9.286    4.339

# 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):     1.385          1.387                  2.189           87.345   82.904

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    107    1.14    91.514    95.558     8.642

LGA_LOCAL      RMSD:   1.138  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.400  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.385  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.169247 * X  +  -0.091849 * Y  +  -0.981284 * Z  +  10.649011
  Y_new =  -0.736396 * X  +   0.649950 * Y  +  -0.187846 * Z  +   2.291736
  Z_new =   0.655040 * X  +   0.754406 * Y  +   0.042365 * Z  +  14.169903 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.344888 -0.714235  1.514699   [DEG:  -77.0564  -40.9227   86.7859 ]
ZXZ: -1.381656  1.528419  0.715014   [DEG:  -79.1630   87.5720   40.9673 ]
 
# END of job
