
#######################################################
#                                                     #
#                        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        1.82     2.50
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.81     2.47
  LONGEST_CONTINUOUS_SEGMENT:    94       4_A - 99_A        1.99     2.47
  LCS_AVERAGE:     97.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        0.83     2.52
  LCS_AVERAGE:     90.02

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    3    5    8   11   13   15   53   79   79   86   93   93   93   93   93   95   95 
LCS_GDT     K     3_A     K     3_A      3   94   96      3    4    5    5    6   27   47   62   77   85   91   92   92   93   93   93   94   94   95   95 
LCS_GDT     E     4_A     E     4_A     91   94   96      3    4    5    8   12   84   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R     5_A     R     5_A     91   94   96     19   68   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A     6_A     A     6_A     91   94   96     19   76   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L     7_A     L     7_A     91   94   96     53   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T     8_A     T     8_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L     9_A     L     9_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    10_A     E    10_A     91   94   96     51   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    11_A     A    11_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    12_A     L    12_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    13_A     R    13_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    14_A     V    14_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     M    15_A     M    15_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    16_A     D    16_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    17_A     A    17_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     I    18_A     I    18_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    19_A     D    19_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    20_A     R    20_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    21_A     R    21_A     91   94   96     51   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    22_A     G    22_A     91   94   96     44   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    23_A     S    23_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     F    24_A     F    24_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    25_A     A    25_A     91   94   96     48   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    26_A     A    26_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    27_A     A    27_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    28_A     A    28_A     91   94   96     48   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    29_A     D    29_A     91   94   96     41   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    30_A     E    30_A     91   94   96     37   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    31_A     L    31_A     91   94   96     37   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    32_A     G    32_A     91   94   96     34   77   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    33_A     R    33_A     91   94   96     26   77   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    34_A     V    34_A     91   94   96     26   77   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     P    35_A     P    35_A     91   94   96     48   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    36_A     S    36_A     91   94   96     34   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    37_A     A    37_A     91   94   96     48   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    38_A     L    38_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    39_A     S    39_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     Y    40_A     Y    40_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    41_A     T    41_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     M    42_A     M    42_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     Q    43_A     Q    43_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     K    44_A     K    44_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    45_A     L    45_A     91   94   96     41   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    46_A     E    46_A     91   94   96     42   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    47_A     E    47_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    48_A     E    48_A     91   94   96     18   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    49_A     L    49_A     91   94   96     13   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    50_A     D    50_A     91   94   96     48   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    51_A     V    51_A     91   94   96     32   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    52_A     V    52_A     91   94   96     48   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    53_A     L    53_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     F    54_A     F    54_A     91   94   96     48   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    55_A     D    55_A     91   94   96     40   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    56_A     R    56_A     91   94   96      3    5   78   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     S    57_A     S    57_A     91   94   96     34   77   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    60_A     R    60_A     91   94   96     51   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    61_A     T    61_A     91   94   96     51   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     K    62_A     K    62_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     F    63_A     F    63_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    64_A     T    64_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     N    65_A     N    65_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    66_A     V    66_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    67_A     G    67_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    68_A     R    68_A     91   94   96     41   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     M    69_A     M    69_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    70_A     L    70_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    71_A     L    71_A     91   94   96     50   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    72_A     E    72_A     91   94   96     20   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    73_A     R    73_A     91   94   96     44   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     G    74_A     G    74_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    75_A     R    75_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     V    76_A     V    76_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    77_A     L    77_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    78_A     L    78_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    79_A     E    79_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    80_A     A    80_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    81_A     A    81_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    82_A     D    82_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     K    83_A     K    83_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    84_A     L    84_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    85_A     T    85_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     T    86_A     T    86_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     D    87_A     D    87_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    88_A     A    88_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    89_A     E    89_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    90_A     A    90_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    91_A     L    91_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     A    92_A     A    92_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     R    93_A     R    93_A     91   94   96     53   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     L    94_A     L    94_A     91   94   96     53   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     E    95_A     E    95_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     H    96_A     H    96_A     91   94   96     54   83   89   90   90   90   91   91   91   91   92   92   92   93   93   93   94   94   95   95 
LCS_GDT     H    97_A     H    97_A      3   94   96      3    4    4    4    5    5    7    9   18   38   92   92   92   92   92   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   14   16   22   29   81   83   93   94   94   95   95 
LCS_GDT     H    99_A     H    99_A      3   94   96      3    3    3    3    5    5    7    8   11   13   16   17   19   23   28   45   72   94   94   95 
LCS_AVERAGE  LCS_A:  95.98  (  90.02   97.92  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     54     83     89     90     90     90     91     91     91     91     92     92     92     93     93     93     94     94     95     95 
GDT PERCENT_AT  56.25  86.46  92.71  93.75  93.75  93.75  94.79  94.79  94.79  94.79  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   0.53   0.61   0.67   0.67   0.67   0.83   0.83   0.83   0.83   1.15   1.15   1.15   1.63   1.63   1.43   1.81   1.81   2.14   2.14
GDT RMS_ALL_AT   2.57   2.55   2.54   2.53   2.53   2.53   2.52   2.52   2.52   2.52   2.50   2.50   2.50   2.54   2.54   2.50   2.47   2.47   2.46   2.46

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  D    16_A      D    16_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:  D    50_A      D    50_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    82_A      D    82_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    11.285     0    0.416   0.404    12.147    0.000    0.000
LGA    K     3_A      K     3_A     8.264     0    0.406   1.259    17.894   17.738    8.042
LGA    E     4_A      E     4_A     4.565     0    0.159   1.272     9.781   33.571   17.249
LGA    R     5_A      R     5_A     1.568     0    0.458   0.800     9.905   81.548   43.939
LGA    A     6_A      A     6_A     1.225     0    0.083   0.078     1.394   81.429   81.429
LGA    L     7_A      L     7_A     0.589     0    0.120   0.211     0.932   92.857   92.857
LGA    T     8_A      T     8_A     0.407     0    0.040   0.043     0.727  100.000   95.918
LGA    L     9_A      L     9_A     0.448     0    0.016   0.088     0.601  100.000   97.619
LGA    E    10_A      E    10_A     0.611     0    0.074   1.060     3.274   95.238   82.434
LGA    A    11_A      A    11_A     0.438     0    0.023   0.034     0.498  100.000  100.000
LGA    L    12_A      L    12_A     0.377     0    0.054   0.054     0.491  100.000  100.000
LGA    R    13_A      R    13_A     0.295     0    0.024   0.394     1.713  100.000   90.779
LGA    V    14_A      V    14_A     0.426     0    0.041   0.039     0.463  100.000  100.000
LGA    M    15_A      M    15_A     0.420     0    0.015   0.754     2.307  100.000   93.214
LGA    D    16_A      D    16_A     0.486     0    0.026   0.064     0.779  100.000   95.238
LGA    A    17_A      A    17_A     0.437     0    0.021   0.031     0.532  100.000   98.095
LGA    I    18_A      I    18_A     0.386     0    0.018   0.066     0.479  100.000  100.000
LGA    D    19_A      D    19_A     0.504     0    0.022   0.132     0.947   95.238   94.048
LGA    R    20_A      R    20_A     0.421     0    0.046   0.455     1.825  100.000   92.381
LGA    R    21_A      R    21_A     0.726     0    0.013   0.863     1.905   90.476   88.095
LGA    G    22_A      G    22_A     0.870     0    0.054   0.054     0.870   90.476   90.476
LGA    S    23_A      S    23_A     0.432     0    0.054   0.058     0.496  100.000  100.000
LGA    F    24_A      F    24_A     0.448     0    0.022   0.242     0.908  100.000   98.268
LGA    A    25_A      A    25_A     0.614     0    0.017   0.025     0.700   90.476   90.476
LGA    A    26_A      A    26_A     0.400     0    0.038   0.037     0.697   97.619   98.095
LGA    A    27_A      A    27_A     0.434     0    0.028   0.027     0.640   97.619   98.095
LGA    A    28_A      A    28_A     0.584     0    0.039   0.046     0.953   92.857   92.381
LGA    D    29_A      D    29_A     0.900     0    0.020   0.574     2.393   88.214   80.714
LGA    E    30_A      E    30_A     0.941     0    0.022   0.233     1.364   85.952   87.460
LGA    L    31_A      L    31_A     0.961     0    0.039   0.110     1.054   85.952   87.083
LGA    G    32_A      G    32_A     1.243     0    0.021   0.021     1.243   81.429   81.429
LGA    R    33_A      R    33_A     1.257     0    0.025   1.423     6.270   81.429   61.212
LGA    V    34_A      V    34_A     1.194     0    0.055   0.099     1.389   85.952   84.014
LGA    P    35_A      P    35_A     0.568     0    0.014   0.026     1.046   95.238   91.905
LGA    S    36_A      S    36_A     0.805     0    0.107   0.620     3.911   92.857   82.698
LGA    A    37_A      A    37_A     0.545     0    0.038   0.045     0.662   95.238   94.286
LGA    L    38_A      L    38_A     0.315     0    0.042   1.099     2.484  100.000   91.190
LGA    S    39_A      S    39_A     0.221     0    0.026   0.124     0.295  100.000  100.000
LGA    Y    40_A      Y    40_A     0.067     0    0.012   0.193     1.741  100.000   91.508
LGA    T    41_A      T    41_A     0.091     0    0.006   0.038     0.285  100.000  100.000
LGA    M    42_A      M    42_A     0.158     0    0.019   0.077     0.324  100.000  100.000
LGA    Q    43_A      Q    43_A     0.276     0    0.065   0.828     4.414  100.000   82.275
LGA    K    44_A      K    44_A     0.341     0    0.043   0.764     4.137   97.619   84.127
LGA    L    45_A      L    45_A     0.672     0    0.018   0.069     0.920   92.857   91.667
LGA    E    46_A      E    46_A     0.672     0    0.032   0.224     1.341   90.476   89.471
LGA    E    47_A      E    47_A     0.480     0    0.030   0.247     1.043   92.857   91.640
LGA    E    48_A      E    48_A     0.889     0    0.012   0.387     1.877   85.952   87.566
LGA    L    49_A      L    49_A     1.121     0    0.032   0.177     1.627   85.952   82.619
LGA    D    50_A      D    50_A     0.597     0    0.041   0.623     1.799   90.476   88.333
LGA    V    51_A      V    51_A     0.863     0    0.086   0.115     1.432   90.476   86.599
LGA    V    52_A      V    52_A     0.705     0    0.014   0.044     1.144   95.238   91.905
LGA    L    53_A      L    53_A     0.299     0    0.052   0.083     1.142  100.000   95.298
LGA    F    54_A      F    54_A     0.451     0    0.129   0.132     0.875   95.238   97.403
LGA    D    55_A      D    55_A     0.709     0    0.071   0.092     1.356   88.333   88.274
LGA    R    56_A      R    56_A     2.587     0    0.053   0.471     7.333   61.190   40.606
LGA    S    57_A      S    57_A     1.209     0    0.701   0.891     3.461   71.429   69.524
LGA    R    60_A      R    60_A     0.612     6    0.154   0.205     1.239   88.214   40.303
LGA    T    61_A      T    61_A     0.797     0    0.011   0.251     1.349   90.476   89.184
LGA    K    62_A      K    62_A     0.207     0    0.018   0.897     3.273  100.000   88.889
LGA    F    63_A      F    63_A     0.190     0    0.038   0.168     0.617  100.000   98.268
LGA    T    64_A      T    64_A     0.310     0    0.009   0.033     0.425  100.000  100.000
LGA    N    65_A      N    65_A     0.333     0    0.029   0.230     1.005  100.000   97.679
LGA    V    66_A      V    66_A     0.324     0    0.026   0.063     0.489  100.000  100.000
LGA    G    67_A      G    67_A     0.555     0    0.048   0.048     0.564   90.476   90.476
LGA    R    68_A      R    68_A     0.630     0    0.071   1.293     4.908   92.857   73.636
LGA    M    69_A      M    69_A     0.564     0    0.014   1.197     3.506   90.476   84.643
LGA    L    70_A      L    70_A     0.539     0    0.016   0.288     0.860   95.238   95.238
LGA    L    71_A      L    71_A     0.588     0    0.025   0.107     0.621   90.476   94.048
LGA    E    72_A      E    72_A     0.839     0    0.006   0.661     2.693   90.476   80.847
LGA    R    73_A      R    73_A     0.778     0    0.045   1.150     3.245   90.476   81.082
LGA    G    74_A      G    74_A     0.382     0    0.095   0.095     0.382  100.000  100.000
LGA    R    75_A      R    75_A     0.111     0    0.099   0.211     1.008  100.000   95.714
LGA    V    76_A      V    76_A     0.139     0    0.018   0.034     0.213  100.000  100.000
LGA    L    77_A      L    77_A     0.224     0    0.032   0.959     3.122  100.000   90.238
LGA    L    78_A      L    78_A     0.198     0    0.049   0.112     0.404  100.000  100.000
LGA    E    79_A      E    79_A     0.178     0    0.017   0.657     2.637  100.000   83.492
LGA    A    80_A      A    80_A     0.223     0    0.045   0.051     0.390  100.000  100.000
LGA    A    81_A      A    81_A     0.177     0    0.014   0.022     0.234  100.000  100.000
LGA    D    82_A      D    82_A     0.301     0    0.058   0.934     3.078  100.000   85.000
LGA    K    83_A      K    83_A     0.328     0    0.022   0.442     1.083  100.000   94.762
LGA    L    84_A      L    84_A     0.293     0    0.015   1.157     3.273  100.000   89.107
LGA    T    85_A      T    85_A     0.273     0    0.024   0.040     0.366  100.000  100.000
LGA    T    86_A      T    86_A     0.438     0    0.020   0.035     0.646   97.619   97.279
LGA    D    87_A      D    87_A     0.427     0    0.023   0.354     0.969   97.619   96.429
LGA    A    88_A      A    88_A     0.545     0    0.016   0.023     0.634   92.857   94.286
LGA    E    89_A      E    89_A     0.636     0    0.026   0.564     2.193   90.476   87.619
LGA    A    90_A      A    90_A     0.645     0    0.035   0.046     0.742   90.476   90.476
LGA    L    91_A      L    91_A     0.643     0    0.046   1.349     3.686   90.476   77.202
LGA    A    92_A      A    92_A     0.601     0    0.018   0.022     0.782   90.476   92.381
LGA    R    93_A      R    93_A     0.812     0    0.038   1.271     6.366   88.214   72.684
LGA    L    94_A      L    94_A     0.793     0    0.124   0.183     1.292   88.214   89.345
LGA    E    95_A      E    95_A     0.546     0    0.231   0.534     1.856   86.071   86.561
LGA    H    96_A      H    96_A     0.501     0    0.429   0.714     8.867   70.952   41.476
LGA    H    97_A      H    97_A     7.873     0    0.659   1.291    13.328    9.167    3.857
LGA    H    98_A      H    98_A    11.450     0    0.680   1.297    15.625    0.119    0.048
LGA    H    99_A      H    99_A    12.690     0    0.613   1.226    13.873    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):     2.448          2.452                  3.231           88.535   83.564

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.83    92.969    94.888     9.822

LGA_LOCAL      RMSD:   0.827  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.525  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.448  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.323647 * X  +   0.937780 * Y  +   0.125782 * Z  +   2.041674
  Y_new =   0.727472 * X  +   0.331632 * Y  +  -0.600670 * Z  +  22.954885
  Z_new =  -0.605010 * X  +  -0.102902 * Y  +  -0.789541 * Z  +  11.248953 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.989395  0.649778 -3.011992   [DEG:  113.9839   37.2295 -172.5744 ]
ZXZ:  0.206421  2.480856 -1.739267   [DEG:   11.8270  142.1426  -99.6527 ]
 
# END of job
