
#######################################################
#                                                     #
#                        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  123 ( 1008),  selected   93 , name one
# Molecule2: number of CA atoms   93 (  756),  selected   93 , 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:    93      29_A - 121_A       2.31     2.31
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      29_A - 119_A       1.96     2.34
  LCS_AVERAGE:     96.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      29_A - 107_A       0.98     2.57
  LCS_AVERAGE:     74.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   93
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     N    29_A     N    29_A     79   91   93     20   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     79   91   93      8   55   74   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     79   91   93     20   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     79   91   93     24   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     79   91   93     22   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     79   91   93     11   51   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     79   91   93     13   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     79   91   93     13   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     79   91   93     13   48   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     79   91   93      9   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     79   91   93      8   30   48   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     79   91   93      8   30   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A     79   91   93     11   47   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     79   91   93     15   54   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     79   91   93     11   42   75   78   81   83   86   88   88   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     79   91   93     19   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     79   91   93     14   52   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     79   91   93     12   44   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     79   91   93     11   42   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     79   91   93     11   41   74   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     79   91   93     15   52   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     79   91   93     11   49   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     79   91   93     11   49   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     79   91   93     15   50   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     79   91   93     15   51   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     79   91   93     12   52   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     79   91   93     15   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     79   91   93     15   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     79   91   93     12   45   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     79   91   93     12   50   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     79   91   93     13   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     79   91   93     15   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     79   91   93     12   48   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     79   91   93     12   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     79   91   93     12   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     79   91   93     15   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     79   91   93     15   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     79   91   93     11   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     79   91   93     15   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     79   91   93     11   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     79   91   93     21   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     79   91   93     21   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     79   91   93     18   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     79   91   93      9   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     79   91   93     26   55   75   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     79   91   93     11   48   73   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     39   91   93      9   29   65   77   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     39   91   93      7   29   65   78   81   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     26   91   93      3    8   38   56   74   82   85   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     20   91   93      8   13   45   68   80   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     12   91   93      8   11   11   15   47   83   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   91   93      8   11   11   12   43   73   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   91   93      8   11   20   34   57   78   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   91   93      8   11   24   43   69   82   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   91   93      8   11   19   34   46   78   86   88   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   91   93      8   11   11   21   30   44   69   78   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   91   93      8   11   11   19   27   41   54   72   86   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   91   93      8   11   11   21   29   43   60   78   89   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   22   93      8   11   11   21   28   35   44   58   69   91   92   92   93   93   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   14   93      3   11   11   12   15   25   37   43   56   67   81   91   93   93   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  90.35  (  74.88   96.16  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     26     55     75     78     81     83     86     88     89     91     92     92     93     93     93     93     93     93     93     93 
GDT PERCENT_AT  27.96  59.14  80.65  83.87  87.10  89.25  92.47  94.62  95.70  97.85  98.92  98.92 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.66   0.92   0.96   1.06   1.17   1.45   1.56   1.82   1.96   2.11   2.11   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31
GDT RMS_ALL_AT   2.71   2.70   2.58   2.56   2.57   2.55   2.44   2.42   2.35   2.34   2.32   2.32   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31

# Checking swapping
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     0.852     0    0.175   0.178     3.659   90.476   75.000
LGA    I    30_A      I    30_A     0.374     0    0.028   1.031     3.846  100.000   83.155
LGA    D    31_A      D    31_A     0.989     0    0.122   0.279     2.635   90.476   77.679
LGA    E    32_A      E    32_A     0.911     0    0.066   0.258     1.102   90.476   87.460
LGA    I    33_A      I    33_A     0.513     0    0.026   0.679     1.870   92.857   88.333
LGA    I    34_A      I    34_A     0.183     0    0.055   0.145     0.989  100.000   97.619
LGA    E    35_A      E    35_A     0.530     0    0.072   0.253     1.020   92.857   90.529
LGA    N    36_A      N    36_A     0.567     0    0.029   1.390     4.228   92.857   79.583
LGA    R    37_A      R    37_A     0.552     0    0.101   1.494     7.858   95.238   62.900
LGA    K    38_A      K    38_A     0.504     0    0.088   0.814     3.337   90.476   73.280
LGA    L    39_A      L    39_A     0.619     0    0.045   0.094     0.962   90.476   90.476
LGA    L    40_A      L    40_A     0.548     0    0.018   0.106     0.875   92.857   91.667
LGA    V    41_A      V    41_A     0.480     0    0.042   0.100     0.511   97.619   98.639
LGA    P    42_A      P    42_A     0.273     0    0.043   0.105     0.677  100.000   98.639
LGA    Y    43_A      Y    43_A     0.184     0    0.039   0.129     0.612  100.000   99.206
LGA    I    44_A      I    44_A     0.495     0    0.018   0.036     0.691   95.238   92.857
LGA    K    45_A      K    45_A     0.621     0    0.079   0.107     1.619   92.857   87.566
LGA    C    46_A      C    46_A     0.522     0    0.010   0.064     0.693   95.238   93.651
LGA    T    47_A      T    47_A     0.444     0    0.137   1.260     2.375   97.619   87.211
LGA    L    48_A      L    48_A     0.155     0    0.056   0.080     0.522  100.000   98.810
LGA    D    49_A      D    49_A     0.375     0    0.044   0.134     1.283   95.238   91.726
LGA    Q    50_A      Q    50_A     1.188     0    0.147   0.857     5.944   90.595   65.873
LGA    G    51_A      G    51_A     0.654     0    0.065   0.065     0.900   90.476   90.476
LGA    R    52_A      R    52_A     0.727     0    0.089   1.126     4.443   90.476   75.455
LGA    C    53_A      C    53_A     0.397     0    0.018   0.025     0.418  100.000  100.000
LGA    T    54_A      T    54_A     0.618     0    0.033   0.102     0.897   92.857   91.837
LGA    P    55_A      P    55_A     0.905     0    0.017   0.036     1.120   85.952   87.891
LGA    E    56_A      E    56_A     1.237     0    0.028   1.234     4.948   81.429   64.233
LGA    G    57_A      G    57_A     0.713     0    0.039   0.039     0.896   90.476   90.476
LGA    R    58_A      R    58_A     1.170     0    0.078   1.701     8.625   83.690   56.364
LGA    E    59_A      E    59_A     1.579     0    0.047   0.912     4.383   79.286   65.714
LGA    L    60_A      L    60_A     0.981     0    0.050   1.247     2.835   85.952   80.833
LGA    K    61_A      K    61_A     0.993     0    0.026   0.484     1.526   85.952   86.508
LGA    A    62_A      A    62_A     1.212     0    0.064   0.080     1.373   81.429   81.429
LGA    H    63_A      H    63_A     0.883     0    0.021   0.134     1.089   90.476   88.667
LGA    I    64_A      I    64_A     1.032     0    0.012   1.114     2.875   81.429   76.488
LGA    K    65_A      K    65_A     1.225     0    0.021   0.201     2.735   81.429   74.074
LGA    D    66_A      D    66_A     1.208     0    0.027   0.371     2.581   81.429   78.452
LGA    A    67_A      A    67_A     1.007     0    0.118   0.131     1.816   81.548   83.333
LGA    M    68_A      M    68_A     1.109     0    0.050   1.154     5.364   79.405   72.738
LGA    Q    69_A      Q    69_A     2.595     0    0.052   0.972     3.619   57.262   55.661
LGA    T    70_A      T    70_A     2.184     0    0.066   0.088     2.555   64.762   64.830
LGA    S    71_A      S    71_A     1.916     0    0.114   0.502     2.203   75.000   74.365
LGA    C    72_A      C    72_A     1.241     0    0.059   0.368     1.502   79.286   80.000
LGA    S    73_A      S    73_A     1.959     0    0.019   0.651     4.672   72.857   64.603
LGA    K    74_A      K    74_A     0.936     0    0.046   0.884     6.040   88.214   68.360
LGA    C    75_A      C    75_A     0.960     0    0.046   0.215     1.396   85.952   85.952
LGA    T    76_A      T    76_A     1.278     0    0.026   0.084     1.422   81.429   81.429
LGA    E    77_A      E    77_A     1.719     0    0.063   0.769     2.742   72.857   72.063
LGA    K    78_A      K    78_A     1.775     4    0.045   0.044     1.896   77.143   42.381
LGA    Q    79_A      Q    79_A     1.013     0    0.099   0.914     2.957   85.952   79.788
LGA    K    80_A      K    80_A     1.471     0    0.021   0.596     4.133   77.143   65.608
LGA    K    81_A      K    81_A     1.711     4    0.025   0.026     1.816   72.857   40.476
LGA    G    82_A      G    82_A     1.333     0    0.019   0.019     1.442   81.429   81.429
LGA    A    83_A      A    83_A     1.124     0    0.078   0.085     1.273   85.952   85.048
LGA    R    84_A      R    84_A     1.012     0    0.082   0.983     3.158   83.690   69.827
LGA    K    85_A      K    85_A     0.869     0    0.018   0.576     2.321   90.476   79.947
LGA    V    86_A      V    86_A     0.947     0    0.009   0.126     1.182   85.952   85.306
LGA    V    87_A      V    87_A     1.356     0    0.034   0.031     1.650   81.429   78.980
LGA    R    88_A      R    88_A     1.159     0    0.018   1.367     6.093   81.429   67.316
LGA    H    89_A      H    89_A     0.697     0    0.044   1.145     2.432   90.476   82.667
LGA    I    90_A      I    90_A     1.119     0    0.039   0.136     1.735   81.429   80.357
LGA    R    91_A      R    91_A     1.175     0    0.032   1.043     6.109   81.429   63.117
LGA    A    92_A      A    92_A     1.090     0    0.030   0.028     1.215   81.429   83.238
LGA    K    93_A      K    93_A     0.897     0    0.018   0.603     3.880   85.952   78.571
LGA    E    94_A      E    94_A     1.182     0    0.056   0.181     1.460   81.429   83.439
LGA    Q    95_A      Q    95_A     1.457     4    0.077   0.085     1.834   79.286   43.333
LGA    E    96_A      E    96_A     1.543     0    0.044   1.464     6.831   79.286   53.492
LGA    Y    97_A      Y    97_A     1.059     0    0.085   0.322     2.333   85.952   78.056
LGA    W    98_A      W    98_A     1.204     0    0.016   0.172     1.931   83.690   78.401
LGA    K    99_A      K    99_A     0.876     0    0.075   0.635     3.263   88.214   80.265
LGA    Q   100_A      Q   100_A     0.514     0    0.048   0.519     1.551   92.857   89.577
LGA    I   101_A      I   101_A     0.451     0    0.048   0.085     0.806   95.238   96.429
LGA    L   102_A      L   102_A     1.052     0    0.028   0.919     4.619   88.214   72.381
LGA    A   103_A      A   103_A     0.773     0    0.014   0.027     0.924   90.476   90.476
LGA    K   104_A      K   104_A     0.663     0    0.062   0.711     4.289   90.476   80.635
LGA    Y   105_A      Y   105_A     0.942     0    0.023   0.076     2.381   85.952   76.587
LGA    D   106_A      D   106_A     1.377     0    0.030   0.087     2.246   79.286   74.048
LGA    P   107_A      P   107_A     1.589     0    0.161   0.181     2.092   72.976   77.891
LGA    E   108_A      E   108_A     2.745     0    0.095   0.554     4.386   59.048   51.111
LGA    D   109_A      D   109_A     2.181     0    0.321   0.758     4.102   54.048   64.583
LGA    Q   110_A      Q   110_A     3.530     0    0.198   1.031     7.810   43.810   33.175
LGA    Y   111_A      Y   111_A     2.863     0    0.279   0.319     4.951   57.143   48.770
LGA    K   112_A      K   112_A     3.247     0    0.065   0.724     5.951   48.333   39.206
LGA    E   113_A      E   113_A     4.619     0    0.046   0.761     8.864   33.095   19.788
LGA    N   114_A      N   114_A     4.483     0    0.089   0.097     5.147   37.262   34.405
LGA    Y   115_A      Y   115_A     3.781     0    0.104   1.312     9.549   41.786   33.690
LGA    E   116_A      E   116_A     4.623     0    0.028   0.969     6.322   26.786   29.101
LGA    T   117_A      T   117_A     6.923     0    0.043   0.118     8.406   12.381   12.857
LGA    F   118_A      F   118_A     7.407     0    0.039   0.228     9.484    9.524    6.450
LGA    L   119_A      L   119_A     6.599     0    0.128   1.393     7.844   11.667   11.905
LGA    A   120_A      A   120_A     8.576     0    0.212   0.230    10.135    2.857    2.857
LGA    A   121_A      A   121_A    10.497     0    0.073   0.074    11.935    0.119    0.095

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       93     372    372  100.00     756    756  100.00                93
SUMMARY(RMSD_GDC):     2.309          2.371                  2.850           78.066   71.303

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     88    1.56    84.409    90.636     5.297

LGA_LOCAL      RMSD:   1.561  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.420  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.309  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.737469 * X  +  -0.476464 * Y  +  -0.478666 * Z  +  41.392868
  Y_new =   0.046234 * X  +   0.742688 * Y  +  -0.668040 * Z  +  -6.609626
  Z_new =   0.673797 * X  +   0.470528 * Y  +   0.569738 * Z  + -11.982643 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.062611 -0.739335  0.690316   [DEG:    3.5873  -42.3608   39.5522 ]
ZXZ: -0.621730  0.964609  0.961197   [DEG:  -35.6225   55.2680   55.0725 ]
 
# END of job
