
#######################################################
#                                                     #
#                        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        2.37     2.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       2_A - 97_A        1.63     2.43
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.73     2.39
  LCS_AVERAGE:     97.91

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       3_A - 96_A        0.97     2.46
  LCS_AVERAGE:     92.93

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    7    9   11   22   24   72   80   86   93   93   93   93   94   94   95   95 
LCS_GDT     K     3_A     K     3_A     92   94   96      3    4    5    5    7   29   69   75   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E     4_A     E     4_A     92   94   96      3    4    9   62   84   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R     5_A     R     5_A     92   94   96      3   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A     6_A     A     6_A     92   94   96     21   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L     7_A     L     7_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     T     8_A     T     8_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L     9_A     L     9_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    10_A     E    10_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    11_A     A    11_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    12_A     L    12_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    13_A     R    13_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     V    14_A     V    14_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     M    15_A     M    15_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     D    16_A     D    16_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    17_A     A    17_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     I    18_A     I    18_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     D    19_A     D    19_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    20_A     R    20_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    21_A     R    21_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     G    22_A     G    22_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     S    23_A     S    23_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     F    24_A     F    24_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    25_A     A    25_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    26_A     A    26_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    27_A     A    27_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    28_A     A    28_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     D    29_A     D    29_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    30_A     E    30_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    31_A     L    31_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     G    32_A     G    32_A     92   94   96     42   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    33_A     R    33_A     92   94   96     42   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     V    34_A     V    34_A     92   94   96     42   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     P    35_A     P    35_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     S    36_A     S    36_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    37_A     A    37_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    38_A     L    38_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     S    39_A     S    39_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     Y    40_A     Y    40_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     T    41_A     T    41_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     M    42_A     M    42_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     Q    43_A     Q    43_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     K    44_A     K    44_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    45_A     L    45_A     92   94   96     36   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    46_A     E    46_A     92   94   96     63   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    47_A     E    47_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    48_A     E    48_A     92   94   96     16   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    49_A     L    49_A     92   94   96     36   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     D    50_A     D    50_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     V    51_A     V    51_A     92   94   96     59   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     V    52_A     V    52_A     92   94   96     65   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    53_A     L    53_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     F    54_A     F    54_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     D    55_A     D    55_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    56_A     R    56_A     92   94   96     18   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     S    57_A     S    57_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    60_A     R    60_A     92   94   96     56   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     T    61_A     T    61_A     92   94   96     63   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     K    62_A     K    62_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     F    63_A     F    63_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     T    64_A     T    64_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     N    65_A     N    65_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     V    66_A     V    66_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     G    67_A     G    67_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    68_A     R    68_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     M    69_A     M    69_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    70_A     L    70_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    71_A     L    71_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    72_A     E    72_A     92   94   96     27   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    73_A     R    73_A     92   94   96     59   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     G    74_A     G    74_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    75_A     R    75_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     V    76_A     V    76_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    77_A     L    77_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    78_A     L    78_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    79_A     E    79_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    80_A     A    80_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    81_A     A    81_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     D    82_A     D    82_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     K    83_A     K    83_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    84_A     L    84_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     T    85_A     T    85_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     T    86_A     T    86_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     D    87_A     D    87_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    88_A     A    88_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    89_A     E    89_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    90_A     A    90_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    91_A     L    91_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     A    92_A     A    92_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     R    93_A     R    93_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     L    94_A     L    94_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     E    95_A     E    95_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     H    96_A     H    96_A     92   94   96     67   89   90   90   90   91   91   91   91   92   92   92   93   93   93   93   94   94   95   95 
LCS_GDT     H    97_A     H    97_A     91   94   96      3    4    4    4    5    5    8   10   18   57   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    8   10   14   16   19   81   83   85   93   94   94   95   95 
LCS_GDT     H    99_A     H    99_A      3   93   96      3    3    3    3    5    5    7    8    9   13   16   16   18   24   27   35   58   91   94   95 
LCS_AVERAGE  LCS_A:  96.94  (  92.93   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     67     89     90     90     90     91     91     91     91     92     92     92     93     93     93     93     94     94     95     95 
GDT PERCENT_AT  69.79  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  96.88  97.92  97.92  98.96  98.96
GDT RMS_LOCAL    0.29   0.43   0.45   0.45   0.45   0.62   0.62   0.62   0.62   0.97   0.97   0.97   1.40   1.28   1.28   1.28   1.63   1.63   2.01   2.01
GDT RMS_ALL_AT   2.48   2.47   2.46   2.46   2.46   2.46   2.46   2.46   2.46   2.46   2.46   2.46   2.48   2.43   2.43   2.43   2.43   2.43   2.39   2.39

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  D    29_A      D    29_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    10.172     0    0.418   0.407    10.924    1.071    0.857
LGA    K     3_A      K     3_A     7.297     0    0.416   1.114    17.178   24.048   11.005
LGA    E     4_A      E     4_A     4.035     0    0.023   1.285    10.186   36.190   18.677
LGA    R     5_A      R     5_A     1.131     0    0.295   1.176    10.791   86.071   45.584
LGA    A     6_A      A     6_A     1.001     0    0.073   0.069     1.311   85.952   85.048
LGA    L     7_A      L     7_A     0.565     0    0.100   0.158     0.832   92.857   91.667
LGA    T     8_A      T     8_A     0.172     0    0.030   0.061     0.546  100.000   98.639
LGA    L     9_A      L     9_A     0.364     0    0.019   0.083     0.592  100.000   95.238
LGA    E    10_A      E    10_A     0.518     0    0.058   0.914     3.196   97.619   81.587
LGA    A    11_A      A    11_A     0.329     0    0.032   0.047     0.371  100.000  100.000
LGA    L    12_A      L    12_A     0.218     0    0.047   0.051     0.368  100.000  100.000
LGA    R    13_A      R    13_A     0.260     0    0.026   0.182     0.899  100.000   95.671
LGA    V    14_A      V    14_A     0.286     0    0.031   0.040     0.353  100.000  100.000
LGA    M    15_A      M    15_A     0.281     0    0.015   0.868     2.739  100.000   93.452
LGA    D    16_A      D    16_A     0.280     0    0.028   0.102     0.576  100.000   98.810
LGA    A    17_A      A    17_A     0.278     0    0.024   0.033     0.384  100.000  100.000
LGA    I    18_A      I    18_A     0.237     0    0.020   0.043     0.279  100.000  100.000
LGA    D    19_A      D    19_A     0.288     0    0.016   0.127     0.731  100.000   98.810
LGA    R    20_A      R    20_A     0.237     0    0.048   0.525     1.995  100.000   95.801
LGA    R    21_A      R    21_A     0.547     0    0.026   0.067     0.708   92.857   93.939
LGA    G    22_A      G    22_A     0.622     0    0.033   0.033     0.622   90.476   90.476
LGA    S    23_A      S    23_A     0.427     0    0.046   0.049     0.466  100.000  100.000
LGA    F    24_A      F    24_A     0.412     0    0.022   0.231     0.821  100.000   98.268
LGA    A    25_A      A    25_A     0.462     0    0.014   0.022     0.558  100.000   98.095
LGA    A    26_A      A    26_A     0.217     0    0.021   0.025     0.360  100.000  100.000
LGA    A    27_A      A    27_A     0.245     0    0.034   0.032     0.347  100.000  100.000
LGA    A    28_A      A    28_A     0.325     0    0.041   0.045     0.546   97.619   98.095
LGA    D    29_A      D    29_A     0.496     0    0.024   0.692     2.334   95.238   86.488
LGA    E    30_A      E    30_A     0.502     0    0.019   0.188     0.854   92.857   93.651
LGA    L    31_A      L    31_A     0.510     0    0.042   0.073     0.596   92.857   94.048
LGA    G    32_A      G    32_A     0.811     0    0.018   0.018     0.811   90.476   90.476
LGA    R    33_A      R    33_A     0.733     0    0.032   1.488     6.519   90.476   63.636
LGA    V    34_A      V    34_A     0.714     0    0.066   0.096     0.970   92.857   91.837
LGA    P    35_A      P    35_A     0.268     0    0.019   0.031     0.692   97.619   95.918
LGA    S    36_A      S    36_A     0.561     0    0.107   0.633     3.579   97.619   85.873
LGA    A    37_A      A    37_A     0.323     0    0.042   0.049     0.391  100.000  100.000
LGA    L    38_A      L    38_A     0.233     0    0.012   0.620     2.166  100.000   93.274
LGA    S    39_A      S    39_A     0.187     0    0.050   0.083     0.606  100.000   98.413
LGA    Y    40_A      Y    40_A     0.147     0    0.018   0.041     0.329  100.000  100.000
LGA    T    41_A      T    41_A     0.150     0    0.009   0.038     0.251  100.000  100.000
LGA    M    42_A      M    42_A     0.259     0    0.019   0.093     0.436  100.000  100.000
LGA    Q    43_A      Q    43_A     0.299     0    0.090   0.101     1.422  100.000   92.751
LGA    K    44_A      K    44_A     0.302     0    0.037   0.738     4.875   97.619   80.741
LGA    L    45_A      L    45_A     0.684     0    0.016   0.046     0.962   92.857   91.667
LGA    E    46_A      E    46_A     0.579     0    0.053   0.155     0.968   90.476   90.476
LGA    E    47_A      E    47_A     0.337     0    0.027   0.232     0.972  100.000   96.825
LGA    E    48_A      E    48_A     0.871     0    0.020   0.205     0.994   90.476   90.476
LGA    L    49_A      L    49_A     0.881     0    0.009   0.146     1.112   90.476   89.345
LGA    D    50_A      D    50_A     0.391     0    0.015   0.212     0.754   92.857   95.238
LGA    V    51_A      V    51_A     0.695     0    0.054   0.073     1.076   90.476   89.184
LGA    V    52_A      V    52_A     0.600     0    0.010   0.053     0.912   95.238   93.197
LGA    L    53_A      L    53_A     0.274     0    0.046   0.082     0.848  100.000   96.429
LGA    F    54_A      F    54_A     0.180     0    0.089   0.082     0.440  100.000  100.000
LGA    D    55_A      D    55_A     0.110     0    0.078   0.458     0.978   95.238   95.238
LGA    R    56_A      R    56_A     1.271     0    0.084   0.352     4.296   81.548   66.364
LGA    S    57_A      S    57_A     0.375     0    0.696   0.604     3.292   85.119   86.905
LGA    R    60_A      R    60_A     0.736     6    0.111   0.151     1.219   88.214   40.303
LGA    T    61_A      T    61_A     0.640     0    0.052   0.188     0.884   92.857   93.197
LGA    K    62_A      K    62_A     0.159     0    0.026   0.903     3.583  100.000   86.032
LGA    F    63_A      F    63_A     0.110     0    0.017   0.162     0.851  100.000   96.537
LGA    T    64_A      T    64_A     0.295     0    0.011   0.042     0.463  100.000  100.000
LGA    N    65_A      N    65_A     0.297     0    0.031   0.199     0.827  100.000   98.810
LGA    V    66_A      V    66_A     0.243     0    0.022   0.065     0.398  100.000  100.000
LGA    G    67_A      G    67_A     0.462     0    0.035   0.035     0.481  100.000  100.000
LGA    R    68_A      R    68_A     0.551     0    0.082   1.359     2.784   95.238   82.164
LGA    M    69_A      M    69_A     0.478     0    0.022   1.166     3.634   95.238   89.345
LGA    L    70_A      L    70_A     0.465     0    0.016   0.094     0.507  100.000   98.810
LGA    L    71_A      L    71_A     0.429     0    0.022   0.052     0.462  100.000  100.000
LGA    E    72_A      E    72_A     0.649     0    0.006   0.093     1.125   92.857   88.519
LGA    R    73_A      R    73_A     0.676     0    0.044   1.209     3.744   92.857   82.987
LGA    G    74_A      G    74_A     0.332     0    0.084   0.084     0.333  100.000  100.000
LGA    R    75_A      R    75_A     0.081     0    0.094   0.168     0.562  100.000   99.134
LGA    V    76_A      V    76_A     0.215     0    0.023   0.033     0.285  100.000  100.000
LGA    L    77_A      L    77_A     0.303     0    0.034   0.905     3.100  100.000   90.238
LGA    L    78_A      L    78_A     0.260     0    0.072   0.116     0.443  100.000  100.000
LGA    E    79_A      E    79_A     0.154     0    0.019   0.914     2.977  100.000   80.952
LGA    A    80_A      A    80_A     0.277     0    0.038   0.044     0.453  100.000  100.000
LGA    A    81_A      A    81_A     0.237     0    0.021   0.032     0.240  100.000  100.000
LGA    D    82_A      D    82_A     0.227     0    0.028   0.197     0.825  100.000   98.810
LGA    K    83_A      K    83_A     0.176     0    0.043   0.393     1.219  100.000   96.878
LGA    L    84_A      L    84_A     0.189     0    0.020   0.123     0.541  100.000   98.810
LGA    T    85_A      T    85_A     0.157     0    0.019   0.055     0.344  100.000  100.000
LGA    T    86_A      T    86_A     0.172     0    0.018   0.039     0.369  100.000  100.000
LGA    D    87_A      D    87_A     0.149     0    0.030   0.093     0.458  100.000  100.000
LGA    A    88_A      A    88_A     0.286     0    0.019   0.027     0.324  100.000  100.000
LGA    E    89_A      E    89_A     0.325     0    0.030   0.287     1.296   97.619   94.762
LGA    A    90_A      A    90_A     0.340     0    0.031   0.039     0.411  100.000  100.000
LGA    L    91_A      L    91_A     0.331     0    0.054   1.418     3.520   97.619   81.071
LGA    A    92_A      A    92_A     0.338     0    0.023   0.035     0.442  100.000  100.000
LGA    R    93_A      R    93_A     0.459     0    0.035   1.237     5.673   95.238   79.351
LGA    L    94_A      L    94_A     0.415     0    0.125   0.156     0.857   97.619   97.619
LGA    E    95_A      E    95_A     0.362     0    0.228   0.365     1.598   90.833   91.746
LGA    H    96_A      H    96_A     0.473     0    0.418   0.434     8.669   73.333   43.762
LGA    H    97_A      H    97_A     8.057     0    0.657   0.893    12.895    8.214    3.333
LGA    H    98_A      H    98_A    11.966     0    0.683   1.486    16.498    0.000    0.000
LGA    H    99_A      H    99_A    13.452     0    0.575   1.394    14.785    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):     2.371          2.387                  3.145           91.405   86.993

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.62    94.531    95.598    12.581

LGA_LOCAL      RMSD:   0.623  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.460  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.371  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.199990 * X  +  -0.965243 * Y  +   0.168256 * Z  +   1.385385
  Y_new =   0.740560 * X  +  -0.261353 * Y  +  -0.619084 * Z  +  21.028833
  Z_new =   0.641541 * X  +   0.000794 * Y  +   0.767088 * Z  +  12.541250 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.834556 -0.696505  0.001035   [DEG:  105.1123  -39.9068    0.0593 ]
ZXZ:  0.265373  0.696506  1.569559   [DEG:   15.2047   39.9069   89.9291 ]
 
# END of job
