
#######################################################
#                                                     #
#                        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  110 (  922),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      36_C - 109_C       1.00     1.30
  LCS_AVERAGE:     54.51

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     L     2_C     L     2_C     28  108  108     19   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     28  108  108     37   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     28  108  108     34   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     28  108  108     41   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     28  108  108     41   66   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     28  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     28  108  108     39   66   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     28  108  108     28   66   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     28  108  108     27   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     28  108  108     27   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     28  108  108     27   60   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     28  108  108     22   53   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     28  108  108      7   33   92  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     28  108  108      7   29   65   99  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     28  108  108      7   27   65   89  102  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     28  108  108      5   10   46   96  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C      3  108  108      3    6   10   22   95  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C      4  108  108      3    5    9   17   23   33  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_C     N    32_C      4  108  108      3    4   43   64   97  104  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     29  108  108     20   22   90  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     29  108  108     20   62   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     29  108  108     20   25   88  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     74  108  108     20   25   86  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     74  108  108     20   55   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     74  108  108     20   67   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     74  108  108     20   25   93  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     74  108  108     20   22   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     74  108  108     20   63   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     74  108  108     20   67   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     74  108  108     20   56   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     74  108  108     20   57   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     74  108  108     20   67   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     74  108  108     20   67   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     74  108  108     20   37   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     74  108  108     20   58   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     74  108  108     20   67   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     74  108  108     20   65   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     74  108  108     20   53   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     74  108  108     20   51   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     74  108  108     24   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     74  108  108     24   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     74  108  108      3    6   90  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     74  108  108     21   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     74  108  108     22   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     74  108  108     39   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     74  108  108     15   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     74  108  108     15   58   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     74  108  108     25   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     74  108  108     40   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     74  108  108     15   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     74  108  108     26   53   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     74  108  108     26   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     74  108  108     26   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     74  108  108     26   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C     74  108  108     26   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C     74  108  108     26   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C     74  108  108     26   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C     74  108  108      3   62   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C     74  108  108      3   10   24   99  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C     74  108  108      3   55   92  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C     74  108  108      4   52   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C     74  108  108     14   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C     74  108  108     36   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     74  108  108     40   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     74  108  108     32   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     74  108  108     42   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     74  108  108     32   66   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     74  108  108     36   68   94  101  104  105  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  84.84  (  54.51  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     42     68     94    101    104    105    107    108    108    108    108    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  38.89  62.96  87.04  93.52  96.30  97.22  99.07 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.59   0.88   0.99   1.07   1.10   1.21   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27
GDT RMS_ALL_AT   1.37   1.32   1.28   1.28   1.28   1.28   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27

# Checking swapping
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    49_C      E    49_C
#   possible swapping detected:  D    56_C      D    56_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    87_C      E    87_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E   102_C      E   102_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C     0.702     0    0.074   0.445     2.067   90.476   85.060
LGA    P     3_C      P     3_C     0.302     0    0.032   0.044     0.490  100.000  100.000
LGA    D     4_C      D     4_C     0.332     0    0.050   0.070     0.641   97.619   95.238
LGA    E     5_C      E     5_C     0.409     0    0.082   0.881     3.366  100.000   83.651
LGA    E     6_C      E     6_C     0.428     0    0.056   0.491     1.181  100.000   93.757
LGA    K     7_C      K     7_C     0.432     0    0.019   0.891     3.400  100.000   80.000
LGA    L     8_C      L     8_C     0.489     0    0.049   0.103     0.779   95.238   94.048
LGA    K     9_C      K     9_C     0.540     0    0.022   0.635     1.959   90.476   87.619
LGA    L    10_C      L    10_C     0.550     0    0.012   1.282     2.819   90.476   81.964
LGA    L    11_C      L    11_C     0.645     0    0.021   0.096     0.754   90.476   92.857
LGA    D    12_C      D    12_C     0.719     0    0.034   0.226     0.813   90.476   90.476
LGA    T    13_C      T    13_C     0.909     0    0.026   0.035     1.026   90.476   89.184
LGA    L    14_C      L    14_C     0.791     0    0.009   0.160     1.107   90.476   89.345
LGA    L    15_C      L    15_C     0.590     0    0.014   0.057     0.709   90.476   91.667
LGA    T    16_C      T    16_C     1.003     0    0.042   0.971     2.192   88.214   81.701
LGA    M    17_C      M    17_C     0.997     0    0.034   0.946     2.552   90.476   82.917
LGA    V    18_C      V    18_C     0.607     0    0.014   0.073     0.693   90.476   91.837
LGA    E    19_C      E    19_C     0.597     0    0.015   0.785     3.430   90.476   79.259
LGA    W    20_C      W    20_C     1.147     0    0.234   1.450     7.077   83.690   52.721
LGA    V    21_C      V    21_C     1.004     0    0.080   0.145     1.378   88.214   85.306
LGA    K    22_C      K    22_C     0.630     0    0.023   0.240     0.894   90.476   91.534
LGA    E    23_C      E    23_C     0.715     0    0.017   0.931     2.705   88.214   77.196
LGA    L    24_C      L    24_C     1.174     0    0.038   0.177     1.650   81.548   80.417
LGA    L    25_C      L    25_C     1.430     0    0.018   0.761     2.554   75.119   76.369
LGA    E    26_C      E    26_C     2.052     0    0.048   0.284     2.908   64.881   65.714
LGA    E    27_C      E    27_C     2.533     0    0.239   0.213     3.240   64.881   58.201
LGA    S    28_C      S    28_C     2.960     0    0.539   0.902     4.275   52.143   56.667
LGA    V    29_C      V    29_C     2.423     0    0.435   0.641     3.185   64.762   60.476
LGA    E    30_C      E    30_C     3.485     0    0.527   0.901     7.396   45.119   33.122
LGA    K    31_C      K    31_C     4.073     0    0.685   0.815     9.974   53.214   28.783
LGA    N    32_C      N    32_C     3.911     0    0.561   1.108     8.077   54.524   33.452
LGA    S    33_C      S    33_C     2.006     0    0.662   0.807     5.507   75.238   60.952
LGA    R    34_C      R    34_C     1.564     0    0.033   0.655     1.965   72.857   72.857
LGA    M    35_C      M    35_C     2.342     0    0.063   0.999     6.899   64.762   53.690
LGA    R    36_C      R    36_C     2.057     0    0.036   0.190     4.899   68.810   53.680
LGA    H    37_C      H    37_C     1.250     0    0.025   0.919     2.186   81.429   79.810
LGA    I    38_C      I    38_C     1.262     0    0.034   0.103     2.276   81.429   75.119
LGA    R    39_C      R    39_C     1.745     0    0.028   1.017     3.373   72.857   68.182
LGA    A    40_C      A    40_C     1.505     0    0.028   0.032     1.654   79.286   78.000
LGA    V    41_C      V    41_C     1.174     0    0.063   0.062     1.447   81.429   81.429
LGA    M    42_C      M    42_C     1.161     0    0.030   0.845     6.063   81.429   63.452
LGA    W    43_C      W    43_C     1.358     0    0.016   0.495     2.286   81.429   77.857
LGA    A    44_C      A    44_C     1.253     0    0.007   0.022     1.260   81.429   81.429
LGA    E    45_C      E    45_C     1.047     0    0.025   0.125     1.451   81.429   81.429
LGA    Y    46_C      Y    46_C     1.039     0    0.034   1.073     6.758   81.429   62.619
LGA    M    47_C      M    47_C     1.443     0    0.029   0.603     1.718   81.429   83.750
LGA    L    48_C      L    48_C     1.363     0    0.014   1.392     4.820   81.429   65.655
LGA    E    49_C      E    49_C     1.084     0    0.016   0.927     2.118   81.429   79.630
LGA    I    50_C      I    50_C     1.197     0    0.048   0.110     1.661   81.429   79.286
LGA    A    51_C      A    51_C     1.504     0    0.047   0.048     1.693   77.143   76.286
LGA    R    52_C      R    52_C     1.442     0    0.028   0.528     3.356   79.286   71.039
LGA    S    53_C      S    53_C     0.814     0    0.046   0.665     2.852   88.214   83.413
LGA    L    54_C      L    54_C     0.878     0    0.695   1.004     3.208   82.143   78.988
LGA    E    55_C      E    55_C     1.864     0    0.165   0.758     4.417   77.143   60.053
LGA    D    56_C      D    56_C     0.733     0    0.139   0.229     1.249   85.952   87.083
LGA    E    57_C      E    57_C     0.823     0    0.107   0.866     1.939   92.857   87.566
LGA    K    58_C      K    58_C     0.431     0    0.072   0.550     1.469   97.619   93.704
LGA    I    59_C      I    59_C     0.858     0    0.012   0.659     2.026   90.476   86.131
LGA    L    60_C      L    60_C     1.142     0    0.042   1.405     4.346   83.690   75.952
LGA    E    61_C      E    61_C     0.734     0    0.004   0.114     1.213   90.476   89.471
LGA    I    62_C      I    62_C     0.483     0    0.032   0.542     2.201   92.857   92.024
LGA    A    63_C      A    63_C     1.111     0    0.013   0.014     1.399   83.690   83.238
LGA    E    64_C      E    64_C     1.402     0    0.020   0.850     5.220   81.429   61.005
LGA    K    65_C      K    65_C     0.925     0    0.021   0.575     2.312   88.214   78.042
LGA    L    66_C      L    66_C     0.815     0    0.014   0.129     0.913   90.476   90.476
LGA    E    67_C      E    67_C     1.112     0    0.013   0.222     1.946   83.690   78.624
LGA    K    68_C      K    68_C     1.177     0    0.027   1.285     7.070   81.429   60.635
LGA    A    69_C      A    69_C     0.820     0    0.146   0.154     0.895   90.476   90.476
LGA    L    70_C      L    70_C     1.163     0    0.042   0.133     2.745   81.429   73.155
LGA    P    71_C      P    71_C     1.354     0    0.110   0.152     1.864   77.143   80.272
LGA    E    72_C      E    72_C     2.805     0    0.659   0.901     4.772   54.524   46.349
LGA    K    73_C      K    73_C     1.580     0    0.507   0.776     8.390   88.571   50.794
LGA    S    74_C      S    74_C     1.638     0    0.169   0.687     2.813   77.262   71.825
LGA    K    75_C      K    75_C     1.239     0    0.059   0.794     5.447   81.429   63.757
LGA    M    76_C      M    76_C     0.946     0    0.070   0.209     1.220   88.214   85.952
LGA    F    77_C      F    77_C     0.832     0    0.051   0.675     2.822   90.476   81.126
LGA    T    78_C      T    78_C     0.897     0    0.030   0.064     0.996   90.476   90.476
LGA    K    79_C      K    79_C     0.785     0    0.018   0.713     3.040   90.476   85.979
LGA    E    80_C      E    80_C     0.709     0    0.057   0.810     2.415   90.476   82.698
LGA    E    81_C      E    81_C     0.639     0    0.040   0.611     2.371   90.476   81.799
LGA    Y    82_C      Y    82_C     0.933     0    0.022   1.230     7.323   90.476   60.040
LGA    E    83_C      E    83_C     0.526     0    0.031   0.068     1.004   95.238   91.587
LGA    K    84_C      K    84_C     0.572     0    0.030   1.110     5.233   90.476   69.153
LGA    L    85_C      L    85_C     0.503     0    0.015   1.307     2.714   95.238   83.512
LGA    M    86_C      M    86_C     0.195     0    0.018   0.808     2.303  100.000   94.405
LGA    E    87_C      E    87_C     0.211     0    0.051   0.802     2.873  100.000   80.952
LGA    V    88_C      V    88_C     0.360     0    0.034   0.115     0.670  100.000   98.639
LGA    L    89_C      L    89_C     0.255     0    0.020   0.145     0.728  100.000   97.619
LGA    E    90_C      E    90_C     0.247     0    0.018   0.873     3.912  100.000   83.386
LGA    E    91_C      E    91_C     0.295     0    0.016   0.879     2.544  100.000   86.190
LGA    L    92_C      L    92_C     0.379     0    0.041   0.123     0.475  100.000  100.000
LGA    E    93_C      E    93_C     0.341     0    0.046   0.185     0.737  100.000   98.942
LGA    E    94_C      E    94_C     0.364     0    0.036   0.084     1.031  100.000   93.757
LGA    V    95_C      V    95_C     0.397     0    0.053   0.059     0.817  100.000   95.918
LGA    L    96_C      L    96_C     0.166     0    0.023   0.091     0.241  100.000  100.000
LGA    E    97_C      E    97_C     0.273     0    0.022   0.939     4.162  100.000   84.339
LGA    E    98_C      E    98_C     0.446     0    0.029   0.083     0.685  100.000   94.709
LGA    K    99_C      K    99_C     0.396     0    0.013   1.040     4.013  100.000   88.042
LGA    K   100_C      K   100_C     0.280     0    0.045   0.120     1.707  100.000   90.847
LGA    E   101_C      E   101_C     0.517     0    0.012   0.125     1.778   97.619   89.683
LGA    E   102_C      E   102_C     0.322     0    0.043   0.544     1.554  100.000   91.746
LGA    V   103_C      V   103_C     0.319     0    0.015   0.056     0.485  100.000  100.000
LGA    E   104_C      E   104_C     0.548     0    0.031   0.324     1.412   92.857   90.529
LGA    E   105_C      E   105_C     0.643     0    0.009   0.147     1.581   90.476   86.508
LGA    R   106_C      R   106_C     0.412     0    0.015   1.332     4.247   95.238   79.740
LGA    I   107_C      I   107_C     0.713     0    0.097   0.196     1.048   90.476   89.345
LGA    E   108_C      E   108_C     1.290     0    0.403   0.449     2.935   73.214   81.799
LGA    G   109_C      G   109_C     0.997     0    0.702   0.702     1.296   83.690   83.690

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     1.269          1.236                  2.052           86.364   79.563

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  108    4.0    108    1.27    89.120    95.188     7.889

LGA_LOCAL      RMSD:   1.269  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.269  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   1.269  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.184455 * X  +  -0.044163 * Y  +  -0.981848 * Z  +  18.664885
  Y_new =   0.029398 * X  +  -0.998791 * Y  +   0.039402 * Z  +  -5.186593
  Z_new =  -0.982401 * X  +  -0.021596 * Y  +   0.185531 * Z  +  12.380316 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.983547  1.382910 -0.115880   [DEG:  170.9446   79.2349   -6.6394 ]
ZXZ: -1.610906  1.384184 -1.592776   [DEG:  -92.2981   79.3079  -91.2593 ]
 
# END of job
