
#######################################################
#                                                     #
#                        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       2.23     2.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      29_A - 119_A       2.00     2.25
  LCS_AVERAGE:     96.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      30_A - 106_A       1.00     2.51
  LCS_AVERAGE:     72.32

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     62   91   93     17   44   63   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     77   91   93     17   44   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     77   91   93     17   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     77   91   93     17   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     77   91   93     17   44   70   78   81   83   86   88   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     77   91   93     17   44   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     77   91   93     17   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     77   91   93     17   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     77   91   93     17   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     77   91   93     17   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     77   91   93      9   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     77   91   93     17   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     77   91   93     14   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     77   91   93     12   47   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     77   91   93     13   48   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     77   91   93     13   48   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     77   91   93      5   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     77   91   93     12   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     77   91   93     14   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     77   91   93     13   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     77   91   93      9   46   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     77   91   93      5   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A     77   91   93      5   47   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     77   91   93     15   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     77   91   93     11   47   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     77   91   93      8   41   72   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     77   91   93     11   47   73   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     77   91   93     11   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     77   91   93     11   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     77   91   93     11   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     77   91   93     19   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     77   91   93     17   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     77   91   93      8   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     77   91   93      8   44   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     77   91   93     15   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     77   91   93     15   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     77   91   93      7   45   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     77   91   93     14   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     77   91   93     15   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     77   91   93     15   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     77   91   93     11   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     77   91   93     20   51   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     77   91   93     14   49   74   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     69   91   93      9   22   58   76   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     32   91   93      6   13   55   68   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     29   91   93      6   22   60   78   81   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     12   91   93      6    9   27   55   69   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     12   91   93      9   11   33   61   69   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   91   93      9   11   11   12   50   60   84   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   91   93      9   11   11   11   27   37   50   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   91   93      9   11   15   28   38   62   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   91   93      9   11   23   50   69   83   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   91   93      9   11   21   33   42   68   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   91   93      9   11   11   28   35   43   57   85   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   91   93      9   11   12   25   38   53   70   88   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   91   93      9   11   17   38   60   68   86   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   24   93      6   11   17   28   41   58   75   89   92   92   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   23   93      3   11   11   11   18   38   48   65   75   88   93   93   93   93   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  89.54  (  72.32   96.29  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     51     74     78     81     83     86     89     92     92     93     93     93     93     93     93     93     93     93     93 
GDT PERCENT_AT  21.51  54.84  79.57  83.87  87.10  89.25  92.47  95.70  98.92  98.92 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.72   0.96   1.02   1.15   1.28   1.56   1.90   2.08   2.08   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23
GDT RMS_ALL_AT   2.87   2.64   2.52   2.51   2.50   2.46   2.35   2.26   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23

# Checking swapping
#   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:  Y    97_A      Y    97_A
#   possible swapping detected:  E   108_A      E   108_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     1.955     0    0.247   1.436     3.590   69.286   66.488
LGA    I    30_A      I    30_A     1.177     0    0.039   0.830     2.198   88.333   80.655
LGA    D    31_A      D    31_A     0.462     0    0.048   0.237     1.862   95.238   87.321
LGA    E    32_A      E    32_A     0.780     0    0.069   0.702     1.902   88.214   84.497
LGA    I    33_A      I    33_A     0.637     0    0.036   0.611     3.006   90.476   84.286
LGA    I    34_A      I    34_A     0.552     0    0.088   0.168     0.888   92.857   96.429
LGA    E    35_A      E    35_A     0.937     0    0.079   0.739     3.715   83.810   68.836
LGA    N    36_A      N    36_A     1.375     0    0.061   0.461     2.887   81.429   75.179
LGA    R    37_A      R    37_A     1.508     0    0.087   1.329     6.587   77.143   58.268
LGA    K    38_A      K    38_A     2.056     0    0.144   1.208     6.018   64.881   54.127
LGA    L    39_A      L    39_A     1.615     0    0.045   0.197     2.661   75.000   69.940
LGA    L    40_A      L    40_A     1.124     0    0.034   1.171     3.362   81.429   76.548
LGA    V    41_A      V    41_A     1.131     0    0.046   1.118     2.809   81.429   75.510
LGA    P    42_A      P    42_A     1.314     0    0.037   0.154     2.164   81.429   75.442
LGA    Y    43_A      Y    43_A     1.055     0    0.047   0.257     3.057   83.690   72.619
LGA    I    44_A      I    44_A     0.700     0    0.057   0.657     2.417   90.476   87.262
LGA    K    45_A      K    45_A     0.769     0    0.083   0.832     3.763   90.476   83.228
LGA    C    46_A      C    46_A     0.929     0    0.031   0.126     0.947   90.476   90.476
LGA    T    47_A      T    47_A     1.065     0    0.103   1.204     2.732   81.429   76.735
LGA    L    48_A      L    48_A     0.842     0    0.190   0.935     4.845   88.214   72.500
LGA    D    49_A      D    49_A     1.086     0    0.067   0.387     2.797   79.286   75.179
LGA    Q    50_A      Q    50_A     1.357     0    0.136   1.251     6.091   77.262   59.471
LGA    G    51_A      G    51_A     0.945     0    0.014   0.014     1.131   85.952   85.952
LGA    R    52_A      R    52_A     1.091     0    0.060   1.894     8.796   88.333   52.641
LGA    C    53_A      C    53_A     0.524     0    0.058   0.154     0.697   95.238   93.651
LGA    T    54_A      T    54_A     0.608     0    0.062   0.922     2.672   97.619   84.762
LGA    P    55_A      P    55_A     0.440     0    0.084   0.094     0.799   92.857   95.918
LGA    E    56_A      E    56_A     0.781     0    0.088   1.056     5.290   90.476   69.894
LGA    G    57_A      G    57_A     0.602     0    0.061   0.061     0.679   92.857   92.857
LGA    R    58_A      R    58_A     1.010     0    0.085   0.737     3.748   88.214   72.208
LGA    E    59_A      E    59_A     0.859     0    0.045   1.017     4.939   90.476   69.894
LGA    L    60_A      L    60_A     0.623     0    0.041   0.954     2.291   90.476   85.238
LGA    K    61_A      K    61_A     0.522     0    0.033   0.771     3.374   90.476   79.312
LGA    A    62_A      A    62_A     0.909     0    0.037   0.046     1.083   88.214   88.667
LGA    H    63_A      H    63_A     1.174     0    0.022   0.335     2.209   83.690   77.286
LGA    I    64_A      I    64_A     0.960     0    0.033   0.612     2.798   90.476   85.179
LGA    K    65_A      K    65_A     1.007     0    0.036   0.968     3.945   83.690   71.905
LGA    D    66_A      D    66_A     1.442     0    0.030   0.163     2.227   77.143   75.060
LGA    A    67_A      A    67_A     1.462     0    0.077   0.076     2.077   75.119   76.381
LGA    M    68_A      M    68_A     1.539     0    0.061   1.110     4.131   75.000   68.452
LGA    Q    69_A      Q    69_A     2.302     0    0.068   1.225     3.337   66.786   64.074
LGA    T    70_A      T    70_A     1.402     0    0.045   0.789     2.579   79.286   76.735
LGA    S    71_A      S    71_A     1.629     0    0.016   0.590     1.764   77.143   77.143
LGA    C    72_A      C    72_A     1.507     0    0.057   0.422     2.059   79.286   75.794
LGA    S    73_A      S    73_A     1.422     0    0.058   0.686     2.972   81.429   77.381
LGA    K    74_A      K    74_A     1.816     0    0.259   1.251     5.324   68.929   62.011
LGA    C    75_A      C    75_A     1.822     0    0.057   0.238     2.041   70.833   71.508
LGA    T    76_A      T    76_A     1.698     0    0.061   1.019     3.058   72.857   69.592
LGA    E    77_A      E    77_A     1.606     0    0.040   0.961     5.108   72.857   60.212
LGA    K    78_A      K    78_A     1.426     4    0.036   0.051     1.483   81.429   45.238
LGA    Q    79_A      Q    79_A     1.370     0    0.107   0.127     1.383   81.429   82.434
LGA    K    80_A      K    80_A     1.787     0    0.032   0.457     3.153   72.857   66.878
LGA    K    81_A      K    81_A     1.879     4    0.030   0.047     1.909   72.857   40.476
LGA    G    82_A      G    82_A     1.498     0    0.045   0.045     1.657   79.286   79.286
LGA    A    83_A      A    83_A     1.007     0    0.056   0.056     1.197   85.952   85.048
LGA    R    84_A      R    84_A     0.912     0    0.044   1.204     5.422   90.476   60.563
LGA    K    85_A      K    85_A     1.280     0    0.053   0.721     1.445   81.429   83.439
LGA    V    86_A      V    86_A     0.832     0    0.041   0.180     1.166   90.476   89.184
LGA    V    87_A      V    87_A     1.030     0    0.041   1.125     3.020   83.690   78.299
LGA    R    88_A      R    88_A     1.417     0    0.053   1.042     6.606   81.429   62.641
LGA    H    89_A      H    89_A     0.959     0    0.034   1.063     5.764   85.952   60.857
LGA    I    90_A      I    90_A     1.352     0    0.031   1.193     3.282   81.429   70.536
LGA    R    91_A      R    91_A     1.273     0    0.038   1.206     4.898   81.429   66.667
LGA    A    92_A      A    92_A     1.231     0    0.090   0.089     1.387   83.690   83.238
LGA    K    93_A      K    93_A     1.206     0    0.139   0.722     4.583   79.286   69.735
LGA    E    94_A      E    94_A     1.426     0    0.098   0.713     2.865   77.143   77.831
LGA    Q    95_A      Q    95_A     1.590     4    0.058   0.071     1.792   72.857   40.476
LGA    E    96_A      E    96_A     1.567     0    0.051   1.316     6.148   79.286   59.735
LGA    Y    97_A      Y    97_A     1.142     0    0.062   0.494     2.722   83.690   74.643
LGA    W    98_A      W    98_A     1.231     0    0.048   0.129     2.020   81.429   76.565
LGA    K    99_A      K    99_A     1.347     0    0.048   1.446     6.054   81.429   65.344
LGA    Q   100_A      Q   100_A     0.694     0    0.044   1.117     3.753   92.857   81.376
LGA    I   101_A      I   101_A     0.711     0    0.028   0.632     2.693   88.214   84.167
LGA    L   102_A      L   102_A     1.300     0    0.037   0.892     3.924   81.429   72.500
LGA    A   103_A      A   103_A     0.999     0    0.062   0.061     1.040   85.952   85.048
LGA    K   104_A      K   104_A     0.861     0    0.019   0.646     2.939   90.476   76.402
LGA    Y   105_A      Y   105_A     1.080     0    0.113   0.124     1.525   81.548   83.730
LGA    D   106_A      D   106_A     1.660     0    0.082   0.134     2.854   75.000   69.940
LGA    P   107_A      P   107_A     2.968     0    0.034   0.128     3.924   59.048   53.265
LGA    E   108_A      E   108_A     3.472     0    0.178   0.942     5.327   53.571   43.228
LGA    D   109_A      D   109_A     2.183     0    0.211   0.618     3.744   55.595   61.250
LGA    Q   110_A      Q   110_A     3.488     0    0.252   0.647     5.868   45.476   36.138
LGA    Y   111_A      Y   111_A     3.064     0    0.269   1.451    11.812   53.571   29.365
LGA    K   112_A      K   112_A     3.817     0    0.033   1.100    10.335   41.905   26.931
LGA    E   113_A      E   113_A     5.323     0    0.041   0.761     9.377   27.738   16.032
LGA    N   114_A      N   114_A     4.890     0    0.083   1.069     6.397   31.548   28.393
LGA    Y   115_A      Y   115_A     3.309     0    0.118   1.267    11.360   48.333   28.810
LGA    E   116_A      E   116_A     4.509     0    0.022   0.863     5.397   31.786   36.455
LGA    T   117_A      T   117_A     6.503     0    0.039   0.185     7.290   15.476   14.626
LGA    F   118_A      F   118_A     5.878     0    0.039   0.242     7.511   21.429   17.229
LGA    L   119_A      L   119_A     4.574     0    0.172   0.895     7.409   31.429   26.429
LGA    A   120_A      A   120_A     6.033     0    0.698   0.649     6.385   21.786   20.857
LGA    A   121_A      A   121_A     8.623     0    0.034   0.050     9.186    4.286    3.714

# 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):     2.228          2.217                  3.002           75.326   67.158

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     89    1.90    83.602    90.588     4.459

LGA_LOCAL      RMSD:   1.896  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.261  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.228  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.735211 * X  +  -0.099678 * Y  +  -0.670469 * Z  +  17.458454
  Y_new =   0.650899 * X  +  -0.172263 * Y  +   0.739362 * Z  +  -7.357342
  Z_new =  -0.189195 * X  +  -0.979995 * Y  +  -0.061769 * Z  +  13.993271 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.724647  0.190343 -1.633743   [DEG:   41.5192   10.9058  -93.6066 ]
ZXZ: -2.405021  1.632605 -2.950881   [DEG: -137.7976   93.5414 -169.0731 ]
 
# END of job
