
#######################################################
#                                                     #
#                        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       2.30     2.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89      29_A - 117_A       1.97     2.34
  LCS_AVERAGE:     92.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      52_A - 107_A       0.97     2.69
  LCS_AVERAGE:     44.17

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     22   89   93     14   50   64   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     22   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     22   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     22   89   93     16   40   61   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     22   89   93     16   50   69   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     22   89   93     16   48   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     22   89   93     15   47   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     22   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     22   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     22   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     22   89   93     14   48   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     22   89   93      5   22   50   69   77   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A      9   89   93      3    6   10   44   54   80   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     56   89   93     11   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     56   89   93      6   13   53   72   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     56   89   93     14   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     56   89   93      8   42   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A     56   89   93     11   47   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     56   89   93     11   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     56   89   93     11   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     56   89   93     11   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     56   89   93     14   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     56   89   93     11   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     56   89   93     11   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     56   89   93      8   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     56   89   93      8   46   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     56   89   93     19   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     56   89   93     19   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     56   89   93      7   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     56   89   93     16   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     56   89   93     14   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     56   89   93     18   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     56   89   93      9   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     56   89   93     20   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     56   89   93     14   50   72   75   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     56   89   93      5   27   60   74   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     30   89   93      5   13   57   65   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     28   89   93      5   22   57   73   79   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     12   89   93      5    9   24   40   71   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     11   89   93      9   11   25   44   71   82   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   89   93      9   11   11   17   43   74   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   89   93      9   11   18   25   35   56   77   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   89   93      9   11   18   26   39   63   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   89   93      9   11   21   44   64   81   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   89   93      9   13   21   30   46   74   84   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   89   93      9   11   12   26   33   44   62   87   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   24   93      9   11   16   25   35   52   68   86   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   24   93      9   11   18   30   51   66   83   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   24   93      8   11   18   26   38   52   66   87   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   22   93      3   11   11   11   15   41   54   67   82   93   93   93   93   93   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  78.95  (  44.17   92.67  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     20     50     72     75     79     82     84     88     92     93     93     93     93     93     93     93     93     93     93     93 
GDT PERCENT_AT  21.51  53.76  77.42  80.65  84.95  88.17  90.32  94.62  98.92 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.67   0.96   1.00   1.18   1.37   1.54   1.83   2.19   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30
GDT RMS_ALL_AT   2.91   2.78   2.61   2.61   2.59   2.54   2.47   2.38   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30   2.30

# Checking swapping
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  E    56_A      E    56_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:  E   113_A      E   113_A
#   possible swapping detected:  E   116_A      E   116_A
#   possible swapping detected:  F   118_A      F   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     1.662     0    0.127   0.803     2.613   73.214   78.512
LGA    I    30_A      I    30_A     1.019     0    0.052   0.816     1.733   85.952   82.619
LGA    D    31_A      D    31_A     0.444     0    0.055   0.270     1.758   92.857   89.464
LGA    E    32_A      E    32_A     0.757     0    0.059   0.826     3.086   90.476   81.058
LGA    I    33_A      I    33_A     0.505     0    0.042   0.597     2.776   95.238   88.690
LGA    I    34_A      I    34_A     0.413     0    0.085   1.422     4.105   95.238   80.000
LGA    E    35_A      E    35_A     0.797     0    0.074   1.152     6.085   83.810   65.556
LGA    N    36_A      N    36_A     1.488     0    0.058   0.802     3.956   77.143   71.369
LGA    R    37_A      R    37_A     1.709     0    0.098   1.497     7.239   72.857   53.550
LGA    K    38_A      K    38_A     2.276     0    0.134   1.534     8.238   62.857   49.365
LGA    L    39_A      L    39_A     1.748     0    0.043   0.128     2.673   72.857   68.869
LGA    L    40_A      L    40_A     1.120     0    0.035   0.981     2.610   83.690   79.583
LGA    V    41_A      V    41_A     1.038     0    0.043   1.142     2.726   81.429   75.578
LGA    P    42_A      P    42_A     1.204     0    0.033   0.138     1.930   81.429   77.755
LGA    Y    43_A      Y    43_A     1.032     0    0.059   0.328     3.751   85.952   69.603
LGA    I    44_A      I    44_A     0.884     0    0.047   0.180     1.518   90.476   84.881
LGA    K    45_A      K    45_A     0.965     0    0.089   1.276     4.382   90.476   77.884
LGA    C    46_A      C    46_A     0.874     0    0.044   0.099     0.915   90.476   90.476
LGA    T    47_A      T    47_A     1.030     0    0.115   1.202     2.604   83.690   78.027
LGA    L    48_A      L    48_A     0.868     0    0.288   1.413     5.027   83.810   66.190
LGA    D    49_A      D    49_A     1.029     0    0.089   0.318     1.681   77.143   82.679
LGA    Q    50_A      Q    50_A     2.979     0    0.146   0.983     6.742   50.595   36.772
LGA    G    51_A      G    51_A     4.148     0    0.643   0.643     4.488   43.690   43.690
LGA    R    52_A      R    52_A     1.499     0    0.651   1.519     9.338   81.548   38.961
LGA    C    53_A      C    53_A     1.389     0    0.218   0.779     2.425   85.952   80.238
LGA    T    54_A      T    54_A     2.402     0    0.255   1.289     6.752   79.524   54.286
LGA    P    55_A      P    55_A     0.581     0    0.092   0.194     0.983   92.857   91.837
LGA    E    56_A      E    56_A     0.756     0    0.134   0.807     4.181   92.857   77.037
LGA    G    57_A      G    57_A     0.427     0    0.047   0.047     0.501   97.619   97.619
LGA    R    58_A      R    58_A     0.748     0    0.091   1.173     5.978   90.476   73.074
LGA    E    59_A      E    59_A     0.911     0    0.062   1.251     6.006   90.476   67.619
LGA    L    60_A      L    60_A     0.690     0    0.039   1.119     2.814   90.476   84.107
LGA    K    61_A      K    61_A     0.641     0    0.052   0.812     3.406   90.476   81.164
LGA    A    62_A      A    62_A     0.779     0    0.033   0.039     0.877   90.476   90.476
LGA    H    63_A      H    63_A     0.877     0    0.066   0.260     1.984   88.214   84.238
LGA    I    64_A      I    64_A     0.833     0    0.032   0.881     2.634   90.476   84.048
LGA    K    65_A      K    65_A     1.078     0    0.038   0.342     3.502   83.690   71.905
LGA    D    66_A      D    66_A     1.256     0    0.026   0.161     2.171   79.286   76.131
LGA    A    67_A      A    67_A     1.289     0    0.074   0.071     1.893   79.286   79.714
LGA    M    68_A      M    68_A     1.282     0    0.035   1.168     5.330   77.143   69.583
LGA    Q    69_A      Q    69_A     2.119     0    0.083   0.283     3.698   68.810   61.640
LGA    T    70_A      T    70_A     1.352     0    0.024   0.289     1.454   81.429   81.429
LGA    S    71_A      S    71_A     1.576     0    0.033   0.101     2.183   77.143   74.365
LGA    C    72_A      C    72_A     1.412     0    0.054   0.428     1.898   79.286   77.143
LGA    S    73_A      S    73_A     1.504     0    0.043   0.680     3.167   77.143   71.905
LGA    K    74_A      K    74_A     1.682     0    0.268   0.615     2.296   70.833   73.915
LGA    C    75_A      C    75_A     1.665     0    0.061   0.223     2.071   70.833   72.937
LGA    T    76_A      T    76_A     1.760     0    0.070   1.058     3.299   72.857   69.592
LGA    E    77_A      E    77_A     1.954     0    0.047   0.899     3.195   70.833   72.275
LGA    K    78_A      K    78_A     1.740     4    0.062   0.087     1.760   75.000   41.429
LGA    Q    79_A      Q    79_A     1.322     0    0.125   0.240     1.495   83.690   82.434
LGA    K    80_A      K    80_A     1.729     0    0.045   0.619     2.380   72.857   71.058
LGA    K    81_A      K    81_A     1.820     4    0.028   0.046     1.898   72.857   40.476
LGA    G    82_A      G    82_A     1.416     0    0.032   0.032     1.580   79.286   79.286
LGA    A    83_A      A    83_A     0.877     0    0.056   0.056     1.081   90.595   88.762
LGA    R    84_A      R    84_A     0.782     0    0.049   1.119     3.795   90.476   76.147
LGA    K    85_A      K    85_A     1.129     0    0.038   0.919     3.375   85.952   81.005
LGA    V    86_A      V    86_A     0.742     0    0.042   0.162     1.033   90.476   89.184
LGA    V    87_A      V    87_A     0.918     0    0.026   1.167     3.216   85.952   79.592
LGA    R    88_A      R    88_A     1.291     0    0.070   1.259     7.342   81.429   54.069
LGA    H    89_A      H    89_A     0.826     0    0.035   0.243     1.835   88.214   82.476
LGA    I    90_A      I    90_A     1.081     0    0.044   0.659     1.948   81.429   79.286
LGA    R    91_A      R    91_A     0.964     0    0.040   1.257     4.724   88.214   69.827
LGA    A    92_A      A    92_A     0.940     0    0.084   0.082     1.096   88.214   88.667
LGA    K    93_A      K    93_A     0.895     0    0.154   0.812     4.109   81.548   74.021
LGA    E    94_A      E    94_A     1.237     0    0.108   0.233     2.791   81.429   75.926
LGA    Q    95_A      Q    95_A     1.374     4    0.072   0.103     1.662   81.429   44.286
LGA    E    96_A      E    96_A     1.324     0    0.040   1.213     5.499   81.429   61.958
LGA    Y    97_A      Y    97_A     0.897     0    0.026   1.182     8.133   88.214   57.222
LGA    W    98_A      W    98_A     0.969     0    0.054   0.152     1.794   90.476   80.952
LGA    K    99_A      K    99_A     1.069     0    0.048   0.743     4.008   83.690   71.323
LGA    Q   100_A      Q   100_A     0.456     0    0.051   1.432     4.465   97.619   77.566
LGA    I   101_A      I   101_A     0.684     0    0.028   0.385     2.235   92.857   90.833
LGA    L   102_A      L   102_A     1.202     0    0.033   0.966     4.171   83.690   73.869
LGA    A   103_A      A   103_A     0.876     0    0.052   0.051     0.944   90.476   90.476
LGA    K   104_A      K   104_A     0.775     0    0.021   0.705     3.828   90.476   77.566
LGA    Y   105_A      Y   105_A     0.908     0    0.100   0.126     1.522   85.952   82.976
LGA    D   106_A      D   106_A     1.405     0    0.069   0.083     2.513   77.143   72.083
LGA    P   107_A      P   107_A     2.569     0    0.058   0.148     3.468   59.048   56.190
LGA    E   108_A      E   108_A     3.390     0    0.199   0.538     7.497   57.262   37.407
LGA    D   109_A      D   109_A     2.120     0    0.212   0.791     3.910   57.500   62.321
LGA    Q   110_A      Q   110_A     3.760     0    0.244   0.936     7.285   40.952   30.582
LGA    Y   111_A      Y   111_A     3.365     0    0.269   1.424    12.004   48.333   26.825
LGA    K   112_A      K   112_A     4.156     0    0.040   0.539     6.196   35.833   30.741
LGA    E   113_A      E   113_A     5.820     0    0.026   1.042    12.025   22.857   12.381
LGA    N   114_A      N   114_A     5.072     0    0.057   0.161     6.117   28.810   27.024
LGA    Y   115_A      Y   115_A     3.727     0    0.107   1.273    11.485   43.333   25.317
LGA    E   116_A      E   116_A     4.908     0    0.028   0.839     5.796   27.857   32.857
LGA    T   117_A      T   117_A     6.778     0    0.057   0.227     7.526   13.810   13.197
LGA    F   118_A      F   118_A     6.273     0    0.055   1.266     9.877   18.214   12.078
LGA    L   119_A      L   119_A     5.046     0    0.164   1.450     7.264   26.190   21.607
LGA    A   120_A      A   120_A     6.753     0    0.260   0.262     7.706   11.905   11.524
LGA    A   121_A      A   121_A     8.147     0    0.130   0.128     9.357    5.238    5.143

# 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):     2.299          2.310                  3.177           74.770   66.337

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     88    1.83    82.258    88.872     4.562

LGA_LOCAL      RMSD:   1.829  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.377  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.299  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.784209 * X  +  -0.056547 * Y  +  -0.617915 * Z  +  17.488544
  Y_new =   0.597707 * X  +  -0.198570 * Y  +   0.776734 * Z  +  -7.461234
  Z_new =  -0.166621 * X  +  -0.978454 * Y  +  -0.121921 * Z  +  13.957772 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.651250  0.167402 -1.694763   [DEG:   37.3139    9.5914  -97.1028 ]
ZXZ: -2.469583  1.693022 -2.972920   [DEG: -141.4967   97.0030 -170.3358 ]
 
# END of job
