
#######################################################
#                                                     #
#                        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  101 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.41     2.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       2_A - 97_A        1.68     2.47
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.73     2.43
  LCS_AVERAGE:     96.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       3_A - 96_A        0.92     2.51
  LCS_AVERAGE:     91.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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     A     2_A     A     2_A      4   94   96      3    4    4    4    4    4    5    7    7   13   29   80   84   87   93   93   93   93   94   95 
LCS_GDT     K     3_A     K     3_A     92   94   96      3    4    4    4    4    5   42   76   77   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E     4_A     E     4_A     92   94   96     25   87   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R     5_A     R     5_A     92   94   96      4   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A     6_A     A     6_A     92   94   96     22   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L     7_A     L     7_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     T     8_A     T     8_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L     9_A     L     9_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    10_A     E    10_A     92   94   96     56   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    11_A     A    11_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    12_A     L    12_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    13_A     R    13_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     V    14_A     V    14_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     M    15_A     M    15_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     D    16_A     D    16_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    17_A     A    17_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     I    18_A     I    18_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     D    19_A     D    19_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    20_A     R    20_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    21_A     R    21_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     G    22_A     G    22_A     92   94   96     59   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     S    23_A     S    23_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     F    24_A     F    24_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    25_A     A    25_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    26_A     A    26_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    27_A     A    27_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    28_A     A    28_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     D    29_A     D    29_A     92   94   96     58   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    30_A     E    30_A     92   94   96     57   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    31_A     L    31_A     92   94   96     53   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     G    32_A     G    32_A     92   94   96     29   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    33_A     R    33_A     92   94   96     38   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     V    34_A     V    34_A     92   94   96     45   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     P    35_A     P    35_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     S    36_A     S    36_A     92   94   96     48   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    37_A     A    37_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    38_A     L    38_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     S    39_A     S    39_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     Y    40_A     Y    40_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     T    41_A     T    41_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     M    42_A     M    42_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     Q    43_A     Q    43_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     K    44_A     K    44_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    45_A     L    45_A     92   94   96     36   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    46_A     E    46_A     92   94   96     57   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    47_A     E    47_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    48_A     E    48_A     92   94   96     22   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    49_A     L    49_A     92   94   96     26   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     D    50_A     D    50_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     V    51_A     V    51_A     92   94   96     57   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     V    52_A     V    52_A     92   94   96     57   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    53_A     L    53_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     F    54_A     F    54_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     D    55_A     D    55_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    56_A     R    56_A     92   94   96      4   58   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     S    57_A     S    57_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    60_A     R    60_A     92   94   96     47   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     T    61_A     T    61_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     K    62_A     K    62_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     F    63_A     F    63_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     T    64_A     T    64_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     N    65_A     N    65_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     V    66_A     V    66_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     G    67_A     G    67_A     92   94   96     58   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    68_A     R    68_A     92   94   96     50   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     M    69_A     M    69_A     92   94   96     50   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    70_A     L    70_A     92   94   96     50   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    71_A     L    71_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    72_A     E    72_A     92   94   96     38   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    73_A     R    73_A     92   94   96     55   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     G    74_A     G    74_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    75_A     R    75_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     V    76_A     V    76_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    77_A     L    77_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    78_A     L    78_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    79_A     E    79_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    80_A     A    80_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    81_A     A    81_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     D    82_A     D    82_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     K    83_A     K    83_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    84_A     L    84_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     T    85_A     T    85_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     T    86_A     T    86_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     D    87_A     D    87_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    88_A     A    88_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    89_A     E    89_A     92   94   96     59   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    90_A     A    90_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    91_A     L    91_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     A    92_A     A    92_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     R    93_A     R    93_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     L    94_A     L    94_A     92   94   96     61   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     E    95_A     E    95_A     92   94   96     55   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     H    96_A     H    96_A     92   94   96     14   88   91   91   91   91   91   91   91   92   92   92   92   93   93   93   93   93   94   95 
LCS_GDT     H    97_A     H    97_A      3   94   96      3    4    4    4    5    5    7    9   18   26   91   92   92   93   93   93   93   93   94   95 
LCS_GDT     H    98_A     H    98_A      3   94   96      3    4    4    4    5    5    7    8   10   13   16   19   24   81   82   92   93   93   94   95 
LCS_GDT     H    99_A     H    99_A      3    3   96      3    3    3    3    5    5    7    8    9   13   16   16   17   22   26   35   52   91   94   95 
LCS_AVERAGE  LCS_A:  96.30  (  91.98   96.93  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     61     88     91     91     91     91     91     91     91     92     92     92     92     93     93     93     93     93     94     95 
GDT PERCENT_AT  63.54  91.67  94.79  94.79  94.79  94.79  94.79  94.79  94.79  95.83  95.83  95.83  95.83  96.88  96.88  96.88  96.88  96.88  97.92  98.96
GDT RMS_LOCAL    0.35   0.49   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.92   0.92   0.92   0.92   1.26   1.26   1.26   1.26   1.26   1.68   2.05
GDT RMS_ALL_AT   2.53   2.51   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.51   2.51   2.51   2.51   2.47   2.47   2.47   2.47   2.47   2.47   2.43

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    10.964     0    0.407   0.400    12.147    0.476    0.381
LGA    K     3_A      K     3_A     7.158     0    0.203   1.218    15.987   21.429   10.053
LGA    E     4_A      E     4_A     1.301     0    0.579   1.411     8.260   71.429   43.810
LGA    R     5_A      R     5_A     1.123     0    0.023   0.611     3.045   83.690   71.082
LGA    A     6_A      A     6_A     1.027     0    0.036   0.037     1.334   85.952   85.048
LGA    L     7_A      L     7_A     0.512     0    0.130   0.171     0.803   95.238   95.238
LGA    T     8_A      T     8_A     0.279     0    0.032   0.073     0.616  100.000   95.918
LGA    L     9_A      L     9_A     0.471     0    0.022   0.077     0.627   97.619   94.048
LGA    E    10_A      E    10_A     0.620     0    0.047   0.915     3.346   92.857   79.471
LGA    A    11_A      A    11_A     0.453     0    0.034   0.051     0.476  100.000  100.000
LGA    L    12_A      L    12_A     0.368     0    0.044   0.044     0.462  100.000  100.000
LGA    R    13_A      R    13_A     0.372     0    0.023   0.243     0.983  100.000   94.805
LGA    V    14_A      V    14_A     0.418     0    0.028   0.044     0.489  100.000  100.000
LGA    M    15_A      M    15_A     0.413     0    0.017   0.874     2.648  100.000   93.452
LGA    D    16_A      D    16_A     0.413     0    0.026   0.078     0.726  100.000   96.429
LGA    A    17_A      A    17_A     0.438     0    0.024   0.032     0.546  100.000   98.095
LGA    I    18_A      I    18_A     0.383     0    0.022   0.044     0.418  100.000  100.000
LGA    D    19_A      D    19_A     0.424     0    0.015   0.143     0.870  100.000   97.619
LGA    R    20_A      R    20_A     0.391     0    0.063   0.277     1.085   97.619   93.983
LGA    R    21_A      R    21_A     0.578     0    0.018   1.082     2.698   92.857   83.636
LGA    G    22_A      G    22_A     0.612     0    0.040   0.040     0.612   95.238   95.238
LGA    S    23_A      S    23_A     0.393     0    0.039   0.037     0.412  100.000  100.000
LGA    F    24_A      F    24_A     0.393     0    0.019   0.206     0.780  100.000   98.268
LGA    A    25_A      A    25_A     0.427     0    0.055   0.065     0.505   97.619   98.095
LGA    A    26_A      A    26_A     0.235     0    0.030   0.031     0.425  100.000  100.000
LGA    A    27_A      A    27_A     0.299     0    0.026   0.024     0.451  100.000  100.000
LGA    A    28_A      A    28_A     0.393     0    0.037   0.049     0.582   97.619   98.095
LGA    D    29_A      D    29_A     0.488     0    0.016   0.839     2.676   97.619   88.810
LGA    E    30_A      E    30_A     0.504     0    0.015   0.317     1.060   92.857   91.587
LGA    L    31_A      L    31_A     0.590     0    0.032   0.085     0.683   90.476   90.476
LGA    G    32_A      G    32_A     0.894     0    0.015   0.015     0.894   90.476   90.476
LGA    R    33_A      R    33_A     0.761     0    0.031   1.464     6.265   90.476   65.671
LGA    V    34_A      V    34_A     0.728     0    0.055   0.085     0.966   92.857   91.837
LGA    P    35_A      P    35_A     0.266     0    0.016   0.031     0.687  100.000   97.279
LGA    S    36_A      S    36_A     0.732     0    0.105   0.633     3.690   97.619   85.873
LGA    A    37_A      A    37_A     0.343     0    0.039   0.047     0.441  100.000  100.000
LGA    L    38_A      L    38_A     0.188     0    0.018   1.270     3.078  100.000   88.155
LGA    S    39_A      S    39_A     0.318     0    0.030   0.650     1.823  100.000   95.476
LGA    Y    40_A      Y    40_A     0.242     0    0.014   0.053     0.453  100.000  100.000
LGA    T    41_A      T    41_A     0.210     0    0.012   0.035     0.288  100.000  100.000
LGA    M    42_A      M    42_A     0.350     0    0.021   0.079     0.525   97.619   98.810
LGA    Q    43_A      Q    43_A     0.382     0    0.087   0.098     1.389  100.000   92.751
LGA    K    44_A      K    44_A     0.278     0    0.025   0.732     4.740   97.619   80.741
LGA    L    45_A      L    45_A     0.724     0    0.014   0.037     1.089   90.476   88.214
LGA    E    46_A      E    46_A     0.648     0    0.028   0.144     1.097   90.476   89.471
LGA    E    47_A      E    47_A     0.405     0    0.040   0.231     1.068   92.857   92.646
LGA    E    48_A      E    48_A     0.629     0    0.035   0.184     0.813   90.476   93.651
LGA    L    49_A      L    49_A     0.770     0    0.020   0.134     1.284   90.476   88.214
LGA    D    50_A      D    50_A     0.342     0    0.017   0.174     0.670  100.000   98.810
LGA    V    51_A      V    51_A     0.688     0    0.075   0.097     1.208   90.476   87.891
LGA    V    52_A      V    52_A     0.586     0    0.023   0.063     0.874   95.238   93.197
LGA    L    53_A      L    53_A     0.416     0    0.041   0.068     1.124  100.000   94.107
LGA    F    54_A      F    54_A     0.054     0    0.094   0.086     0.350  100.000  100.000
LGA    D    55_A      D    55_A     0.212     0    0.048   0.470     1.221   92.976   95.298
LGA    R    56_A      R    56_A     1.823     0    0.063   0.364     4.685   72.976   58.052
LGA    S    57_A      S    57_A     0.376     0    0.671   0.595     3.350   80.476   85.397
LGA    R    60_A      R    60_A     0.617     6    0.127   0.172     1.099   90.595   42.035
LGA    T    61_A      T    61_A     0.595     0    0.019   0.187     1.029   95.238   91.905
LGA    K    62_A      K    62_A     0.099     0    0.041   0.938     3.733  100.000   87.090
LGA    F    63_A      F    63_A     0.271     0    0.020   0.136     0.650  100.000   97.403
LGA    T    64_A      T    64_A     0.445     0    0.010   0.039     0.621   97.619   97.279
LGA    N    65_A      N    65_A     0.472     0    0.027   0.219     1.006  100.000   96.488
LGA    V    66_A      V    66_A     0.385     0    0.026   0.074     0.514   97.619   98.639
LGA    G    67_A      G    67_A     0.538     0    0.027   0.027     0.538   92.857   92.857
LGA    R    68_A      R    68_A     0.607     0    0.076   0.526     2.448   92.857   89.048
LGA    M    69_A      M    69_A     0.662     0    0.019   1.067     3.350   90.476   83.155
LGA    L    70_A      L    70_A     0.716     0    0.013   1.344     2.652   90.476   81.964
LGA    L    71_A      L    71_A     0.508     0    0.029   0.068     0.527   90.476   95.238
LGA    E    72_A      E    72_A     0.730     0    0.008   0.090     1.299   90.476   86.455
LGA    R    73_A      R    73_A     0.795     0    0.044   1.185     3.549   90.476   79.697
LGA    G    74_A      G    74_A     0.407     0    0.090   0.090     0.407  100.000  100.000
LGA    R    75_A      R    75_A     0.093     0    0.082   0.158     0.542  100.000   99.134
LGA    V    76_A      V    76_A     0.273     0    0.019   0.059     0.522  100.000   98.639
LGA    L    77_A      L    77_A     0.329     0    0.037   0.917     3.126   97.619   89.048
LGA    L    78_A      L    78_A     0.168     0    0.061   0.105     0.349  100.000  100.000
LGA    E    79_A      E    79_A     0.099     0    0.015   0.933     3.081  100.000   80.159
LGA    A    80_A      A    80_A     0.307     0    0.038   0.045     0.484  100.000  100.000
LGA    A    81_A      A    81_A     0.225     0    0.047   0.057     0.225  100.000  100.000
LGA    D    82_A      D    82_A     0.239     0    0.010   0.178     0.713  100.000   98.810
LGA    K    83_A      K    83_A     0.204     0    0.030   0.132     0.744  100.000   98.942
LGA    L    84_A      L    84_A     0.366     0    0.025   0.158     0.625  100.000   97.619
LGA    T    85_A      T    85_A     0.318     0    0.011   0.037     0.435  100.000  100.000
LGA    T    86_A      T    86_A     0.268     0    0.014   0.041     0.442  100.000  100.000
LGA    D    87_A      D    87_A     0.231     0    0.018   0.083     0.353  100.000  100.000
LGA    A    88_A      A    88_A     0.535     0    0.022   0.028     0.617   92.857   92.381
LGA    E    89_A      E    89_A     0.638     0    0.060   0.219     1.083   90.476   89.471
LGA    A    90_A      A    90_A     0.413     0    0.027   0.037     0.497  100.000  100.000
LGA    L    91_A      L    91_A     0.421     0    0.050   1.409     3.504   97.619   81.071
LGA    A    92_A      A    92_A     0.540     0    0.018   0.026     0.614   92.857   94.286
LGA    R    93_A      R    93_A     0.569     0    0.046   0.951     3.192   90.476   80.693
LGA    L    94_A      L    94_A     0.496     0    0.100   0.163     0.937   95.238   97.619
LGA    E    95_A      E    95_A     0.604     0    0.231   0.243     1.940   83.810   86.508
LGA    H    96_A      H    96_A     0.907     0    0.430   0.459     8.308   65.357   41.857
LGA    H    97_A      H    97_A     8.469     0    0.654   1.126    12.047    6.667    2.810
LGA    H    98_A      H    98_A    12.169     0    0.684   1.239    16.277    0.000    0.000
LGA    H    99_A      H    99_A    13.509     0    0.634   1.232    14.709    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.414          2.437                  3.041           90.587   86.395

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.55    94.531    95.431    14.027

LGA_LOCAL      RMSD:   0.549  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.502  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.414  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.284632 * X  +   0.387036 * Y  +   0.877033 * Z  +   1.513686
  Y_new =   0.897578 * X  +   0.213693 * Y  +  -0.385603 * Z  +  22.444401
  Z_new =  -0.336658 * X  +   0.896961 * Y  +  -0.286571 * Z  +  13.126393 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.263716  0.343365  1.880038   [DEG:   72.4056   19.6734  107.7182 ]
ZXZ:  1.156568  1.861442 -0.359062   [DEG:   66.2665  106.6528  -20.5727 ]
 
# END of job
