
#######################################################
#                                                     #
#                        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        2.45     2.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       2_A - 97_A        1.73     2.51
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.78     2.47
  LCS_AVERAGE:     97.91

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        0.70     2.54
  LONGEST_CONTINUOUS_SEGMENT:    91       5_A - 97_A        0.99     2.52
  LCS_AVERAGE:     90.97

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      3   94   96      3    3    3    4    5    9   11   11   15   32   71   82   83   93   93   93   93   94   95   95 
LCS_GDT     K     3_A     K     3_A      3   94   96      3    4    5    5   17   36   63   75   87   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E     4_A     E     4_A     91   94   96      3    4    5   48   87   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R     5_A     R     5_A     91   94   96     15   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A     6_A     A     6_A     91   94   96     20   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L     7_A     L     7_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T     8_A     T     8_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L     9_A     L     9_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    10_A     E    10_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    11_A     A    11_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    12_A     L    12_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    13_A     R    13_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    14_A     V    14_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     M    15_A     M    15_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    16_A     D    16_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    17_A     A    17_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     I    18_A     I    18_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    19_A     D    19_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    20_A     R    20_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    21_A     R    21_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    22_A     G    22_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    23_A     S    23_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     F    24_A     F    24_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    25_A     A    25_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    26_A     A    26_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    27_A     A    27_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    28_A     A    28_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    29_A     D    29_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    30_A     E    30_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    31_A     L    31_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    32_A     G    32_A     91   94   96     45   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    33_A     R    33_A     91   94   96     45   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    34_A     V    34_A     91   94   96     51   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     P    35_A     P    35_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    36_A     S    36_A     91   94   96     55   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    37_A     A    37_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    38_A     L    38_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    39_A     S    39_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     Y    40_A     Y    40_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    41_A     T    41_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     M    42_A     M    42_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     Q    43_A     Q    43_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     K    44_A     K    44_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    45_A     L    45_A     91   94   96     25   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    46_A     E    46_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    47_A     E    47_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    48_A     E    48_A     91   94   96     20   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    49_A     L    49_A     91   94   96     20   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    50_A     D    50_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    51_A     V    51_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    52_A     V    52_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    53_A     L    53_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     F    54_A     F    54_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    55_A     D    55_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    56_A     R    56_A     91   94   96      5   29   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    57_A     S    57_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    60_A     R    60_A     91   94   96     56   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    61_A     T    61_A     91   94   96      5   86   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     K    62_A     K    62_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     F    63_A     F    63_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    64_A     T    64_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     N    65_A     N    65_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    66_A     V    66_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    67_A     G    67_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    68_A     R    68_A     91   94   96     45   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     M    69_A     M    69_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    70_A     L    70_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    71_A     L    71_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    72_A     E    72_A     91   94   96     45   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    73_A     R    73_A     91   94   96     56   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    74_A     G    74_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    75_A     R    75_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    76_A     V    76_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    77_A     L    77_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    78_A     L    78_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    79_A     E    79_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    80_A     A    80_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    81_A     A    81_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    82_A     D    82_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     K    83_A     K    83_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    84_A     L    84_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    85_A     T    85_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    86_A     T    86_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    87_A     D    87_A     91   94   96     63   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    88_A     A    88_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    89_A     E    89_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    90_A     A    90_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    91_A     L    91_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    92_A     A    92_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    93_A     R    93_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    94_A     L    94_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    95_A     E    95_A     91   94   96     62   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     H    96_A     H    96_A     91   94   96     12   88   89   90   90   91   91   91   91   92   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     H    97_A     H    97_A     91   94   96      3    4    4    4    5    5    7    9   18   25   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     H    98_A     H    98_A      3   94   96      3    4    4    4    5    5    7    9   11   13   16   19   24   77   81   93   94   94   95   95 
LCS_GDT     H    99_A     H    99_A      3   93   96      3    3    3    3    5    5    7    8   11   13   16   16   19   23   28   41   51   91   94   95 
LCS_AVERAGE  LCS_A:  96.29  (  90.97   97.91  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     63     88     89     90     90     91     91     91     91     92     92     92     92     93     93     93     94     94     95     95 
GDT PERCENT_AT  65.62  91.67  92.71  93.75  93.75  94.79  94.79  94.79  94.79  95.83  95.83  95.83  95.83  96.88  96.88  96.88  97.92  97.92  98.96  98.96
GDT RMS_LOCAL    0.34   0.47   0.48   0.52   0.52   0.70   0.70   0.70   0.70   1.03   1.03   1.03   1.03   1.34   1.34   1.34   1.78   1.73   2.10   2.19
GDT RMS_ALL_AT   2.57   2.55   2.55   2.54   2.54   2.54   2.54   2.54   2.54   2.54   2.54   2.54   2.54   2.51   2.51   2.51   2.47   2.51   2.47   2.46

# 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    11.015     0    0.445   0.435    11.894    0.238    0.190
LGA    K     3_A      K     3_A     7.426     0    0.369   1.216    16.963   24.048   11.217
LGA    E     4_A      E     4_A     4.374     0    0.030   1.397    10.435   36.190   18.042
LGA    R     5_A      R     5_A     1.175     0    0.336   0.756     9.326   83.690   45.541
LGA    A     6_A      A     6_A     1.063     0    0.066   0.061     1.276   85.952   85.048
LGA    L     7_A      L     7_A     0.593     0    0.110   0.142     0.854   90.476   90.476
LGA    T     8_A      T     8_A     0.253     0    0.029   0.052     0.607  100.000   98.639
LGA    L     9_A      L     9_A     0.306     0    0.017   0.075     0.419  100.000  100.000
LGA    E    10_A      E    10_A     0.514     0    0.045   0.964     3.553   97.619   80.847
LGA    A    11_A      A    11_A     0.394     0    0.030   0.046     0.418  100.000  100.000
LGA    L    12_A      L    12_A     0.271     0    0.044   0.046     0.339  100.000  100.000
LGA    R    13_A      R    13_A     0.293     0    0.023   0.186     0.890  100.000   94.805
LGA    V    14_A      V    14_A     0.357     0    0.030   0.038     0.418  100.000  100.000
LGA    M    15_A      M    15_A     0.393     0    0.016   0.860     2.670  100.000   93.452
LGA    D    16_A      D    16_A     0.395     0    0.024   0.067     0.729  100.000   96.429
LGA    A    17_A      A    17_A     0.391     0    0.024   0.032     0.495  100.000  100.000
LGA    I    18_A      I    18_A     0.339     0    0.020   0.044     0.379  100.000  100.000
LGA    D    19_A      D    19_A     0.366     0    0.029   0.118     0.762  100.000   98.810
LGA    R    20_A      R    20_A     0.344     0    0.071   0.276     1.084  100.000   94.848
LGA    R    21_A      R    21_A     0.556     0    0.020   0.819     2.389   92.857   88.182
LGA    G    22_A      G    22_A     0.593     0    0.048   0.048     0.593   97.619   97.619
LGA    S    23_A      S    23_A     0.312     0    0.042   0.041     0.334  100.000  100.000
LGA    F    24_A      F    24_A     0.336     0    0.019   0.200     0.795  100.000   98.268
LGA    A    25_A      A    25_A     0.436     0    0.053   0.064     0.504   97.619   98.095
LGA    A    26_A      A    26_A     0.185     0    0.055   0.052     0.521   97.619   98.095
LGA    A    27_A      A    27_A     0.238     0    0.024   0.024     0.379  100.000  100.000
LGA    A    28_A      A    28_A     0.361     0    0.044   0.047     0.596   97.619   98.095
LGA    D    29_A      D    29_A     0.537     0    0.016   0.860     2.631   92.857   86.429
LGA    E    30_A      E    30_A     0.518     0    0.013   0.241     0.982   92.857   92.593
LGA    L    31_A      L    31_A     0.534     0    0.034   0.080     0.621   90.476   92.857
LGA    G    32_A      G    32_A     0.825     0    0.017   0.017     0.825   90.476   90.476
LGA    R    33_A      R    33_A     0.708     0    0.030   1.501     6.533   90.476   63.636
LGA    V    34_A      V    34_A     0.677     0    0.060   0.085     0.894   92.857   91.837
LGA    P    35_A      P    35_A     0.229     0    0.011   0.024     0.660  100.000   97.279
LGA    S    36_A      S    36_A     0.610     0    0.103   0.631     3.564   97.619   85.873
LGA    A    37_A      A    37_A     0.242     0    0.035   0.043     0.322  100.000  100.000
LGA    L    38_A      L    38_A     0.105     0    0.035   0.051     0.330  100.000  100.000
LGA    S    39_A      S    39_A     0.235     0    0.036   0.035     0.384  100.000  100.000
LGA    Y    40_A      Y    40_A     0.280     0    0.014   0.051     0.696  100.000   96.032
LGA    T    41_A      T    41_A     0.244     0    0.008   0.039     0.293  100.000  100.000
LGA    M    42_A      M    42_A     0.337     0    0.021   0.081     0.516   97.619   98.810
LGA    Q    43_A      Q    43_A     0.336     0    0.091   0.108     1.373  100.000   92.751
LGA    K    44_A      K    44_A     0.316     0    0.037   0.739     4.852   97.619   80.741
LGA    L    45_A      L    45_A     0.735     0    0.017   0.044     1.035   90.476   89.345
LGA    E    46_A      E    46_A     0.603     0    0.043   0.156     1.013   90.476   89.471
LGA    E    47_A      E    47_A     0.425     0    0.038   0.212     1.026   92.857   92.646
LGA    E    48_A      E    48_A     0.893     0    0.074   0.241     1.487   85.952   90.582
LGA    L    49_A      L    49_A     0.991     0    0.022   0.171     1.389   90.476   85.952
LGA    D    50_A      D    50_A     0.431     0    0.021   0.174     0.662   97.619   97.619
LGA    V    51_A      V    51_A     0.705     0    0.070   0.096     1.237   90.476   86.599
LGA    V    52_A      V    52_A     0.575     0    0.019   0.060     0.837   95.238   93.197
LGA    L    53_A      L    53_A     0.396     0    0.048   0.069     1.031  100.000   94.107
LGA    F    54_A      F    54_A     0.077     0    0.102   0.102     0.381  100.000  100.000
LGA    D    55_A      D    55_A     0.234     0    0.056   0.471     1.234   92.976   94.107
LGA    R    56_A      R    56_A     2.007     0    0.050   0.382     5.703   70.952   50.476
LGA    S    57_A      S    57_A     0.602     0    0.671   0.594     3.565   76.429   81.111
LGA    R    60_A      R    60_A     0.669     6    0.149   0.204     1.107   90.595   41.169
LGA    T    61_A      T    61_A     1.147     0    0.018   0.280     2.126   85.952   80.408
LGA    K    62_A      K    62_A     0.181     0    0.060   0.973     3.710   97.619   86.032
LGA    F    63_A      F    63_A     0.270     0    0.024   0.157     0.658  100.000   97.403
LGA    T    64_A      T    64_A     0.412     0    0.008   0.041     0.584  100.000   98.639
LGA    N    65_A      N    65_A     0.434     0    0.026   0.188     0.984  100.000   97.619
LGA    V    66_A      V    66_A     0.406     0    0.023   0.061     0.532   97.619   98.639
LGA    G    67_A      G    67_A     0.558     0    0.042   0.042     0.558   92.857   92.857
LGA    R    68_A      R    68_A     0.613     0    0.067   1.437     5.615   92.857   71.169
LGA    M    69_A      M    69_A     0.609     0    0.022   0.989     3.152   90.476   83.155
LGA    L    70_A      L    70_A     0.594     0    0.017   0.112     0.777   92.857   92.857
LGA    L    71_A      L    71_A     0.488     0    0.023   0.054     0.514   97.619   98.810
LGA    E    72_A      E    72_A     0.677     0    0.005   0.080     1.391   90.476   86.455
LGA    R    73_A      R    73_A     0.676     0    0.046   1.185     3.547   92.857   83.766
LGA    G    74_A      G    74_A     0.390     0    0.091   0.091     0.390  100.000  100.000
LGA    R    75_A      R    75_A     0.113     0    0.091   0.170     0.551  100.000   99.134
LGA    V    76_A      V    76_A     0.179     0    0.023   0.038     0.253  100.000  100.000
LGA    L    77_A      L    77_A     0.276     0    0.037   0.924     3.133  100.000   90.238
LGA    L    78_A      L    78_A     0.222     0    0.073   0.118     0.390  100.000  100.000
LGA    E    79_A      E    79_A     0.135     0    0.015   0.931     2.973  100.000   80.952
LGA    A    80_A      A    80_A     0.248     0    0.036   0.043     0.423  100.000  100.000
LGA    A    81_A      A    81_A     0.207     0    0.018   0.030     0.217  100.000  100.000
LGA    D    82_A      D    82_A     0.249     0    0.019   0.187     0.786  100.000   97.619
LGA    K    83_A      K    83_A     0.213     0    0.045   0.636     1.798  100.000   95.926
LGA    L    84_A      L    84_A     0.198     0    0.020   0.119     0.540  100.000   98.810
LGA    T    85_A      T    85_A     0.176     0    0.011   0.062     0.420  100.000  100.000
LGA    T    86_A      T    86_A     0.173     0    0.019   0.040     0.354  100.000  100.000
LGA    D    87_A      D    87_A     0.156     0    0.019   0.065     0.275  100.000  100.000
LGA    A    88_A      A    88_A     0.333     0    0.019   0.027     0.385  100.000  100.000
LGA    E    89_A      E    89_A     0.393     0    0.015   0.267     1.325   97.619   95.820
LGA    A    90_A      A    90_A     0.341     0    0.026   0.036     0.414  100.000  100.000
LGA    L    91_A      L    91_A     0.354     0    0.044   1.414     3.442  100.000   83.095
LGA    A    92_A      A    92_A     0.374     0    0.016   0.027     0.437  100.000  100.000
LGA    R    93_A      R    93_A     0.441     0    0.048   1.369     5.633   95.238   78.788
LGA    L    94_A      L    94_A     0.485     0    0.102   0.149     0.942   95.238   96.429
LGA    E    95_A      E    95_A     0.636     0    0.227   0.240     1.924   86.071   90.635
LGA    H    96_A      H    96_A     0.753     0    0.412   0.506     8.456   67.738   42.810
LGA    H    97_A      H    97_A     8.285     0    0.657   1.042    12.089    7.857    3.190
LGA    H    98_A      H    98_A    12.118     0    0.683   1.237    16.456    0.000    0.000
LGA    H    99_A      H    99_A    13.485     0    0.622   1.376    14.635    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):     2.452          2.462                  3.209           90.520   86.080

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.70    94.271    95.406    11.370

LGA_LOCAL      RMSD:   0.700  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.538  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.452  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.113523 * X  +  -0.941277 * Y  +   0.317979 * Z  +   0.998322
  Y_new =   0.803933 * X  +  -0.275082 * Y  +  -0.527278 * Z  +  21.271202
  Z_new =   0.583785 * X  +   0.195775 * Y  +   0.787951 * Z  +  12.259285 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.711078 -0.623382  0.243530   [DEG:   98.0376  -35.7172   13.9532 ]
ZXZ:  0.542664  0.663321  1.247227   [DEG:   31.0924   38.0055   71.4608 ]
 
# END of job
