
#######################################################
#                                                     #
#                        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   95 (  740),  selected   92 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   92 , 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:    92       2_A - 95_A        2.14     2.14
  LCS_AVERAGE:     95.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       3_A - 95_A        1.52     2.16
  LCS_AVERAGE:     93.82

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       7_A - 95_A        0.98     2.21
  LCS_AVERAGE:     86.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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    5   92      3    3    3    4    4    5    7    8   10   10   11   27   29   32   34   59   82   92   92   92 
LCS_GDT     K     3_A     K     3_A      4   91   92      4    4    4    6   32   46   71   77   80   83   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E     4_A     E     4_A      4   91   92      4    4   18   64   74   80   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R     5_A     R     5_A      4   91   92      4    4    7   59   68   77   83   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A     6_A     A     6_A     80   91   92      4   12   25   53   81   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L     7_A     L     7_A     87   91   92      3   46   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     T     8_A     T     8_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L     9_A     L     9_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    10_A     E    10_A     87   91   92     19   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    11_A     A    11_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    12_A     L    12_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    13_A     R    13_A     87   91   92     27   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    14_A     V    14_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     M    15_A     M    15_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    16_A     D    16_A     87   91   92     27   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    17_A     A    17_A     87   91   92     27   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     I    18_A     I    18_A     87   91   92     35   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    19_A     D    19_A     87   91   92     18   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    20_A     R    20_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    21_A     R    21_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    22_A     G    22_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    23_A     S    23_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     F    24_A     F    24_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    25_A     A    25_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    26_A     A    26_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    27_A     A    27_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    28_A     A    28_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    29_A     D    29_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    30_A     E    30_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    31_A     L    31_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    32_A     G    32_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    33_A     R    33_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    34_A     V    34_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     P    35_A     P    35_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    36_A     S    36_A     87   91   92     15   53   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    37_A     A    37_A     87   91   92     15   61   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    38_A     L    38_A     87   91   92      9   61   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    39_A     S    39_A     87   91   92      9   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     Y    40_A     Y    40_A     87   91   92     10   54   80   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    41_A     T    41_A     87   91   92     10   37   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     M    42_A     M    42_A     87   91   92     10   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     Q    43_A     Q    43_A     87   91   92     10   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     K    44_A     K    44_A     87   91   92     12   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    45_A     L    45_A     87   91   92     10   57   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    46_A     E    46_A     87   91   92     10   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    47_A     E    47_A     87   91   92     10   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    48_A     E    48_A     87   91   92     10   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    49_A     L    49_A     87   91   92     10   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    50_A     D    50_A     87   91   92     26   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    51_A     V    51_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    52_A     V    52_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    53_A     L    53_A     87   91   92     20   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     F    54_A     F    54_A     87   91   92     20   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    55_A     D    55_A     87   91   92     12   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    56_A     R    56_A     87   91   92      3    3   11   48   77   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    57_A     S    57_A     87   91   92      4   22   49   83   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    60_A     R    60_A     87   91   92      3    4   26   81   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    61_A     T    61_A     87   91   92     20   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     K    62_A     K    62_A     87   91   92     17   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     F    63_A     F    63_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    64_A     T    64_A     87   91   92     30   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     N    65_A     N    65_A     87   91   92     31   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    66_A     V    66_A     87   91   92     31   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    67_A     G    67_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    68_A     R    68_A     87   91   92     25   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     M    69_A     M    69_A     87   91   92     35   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    70_A     L    70_A     87   91   92     35   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    71_A     L    71_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    72_A     E    72_A     87   91   92     12   55   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    73_A     R    73_A     87   91   92      6   51   77   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    74_A     G    74_A     87   91   92     28   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    75_A     R    75_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    76_A     V    76_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    77_A     L    77_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    78_A     L    78_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    79_A     E    79_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    80_A     A    80_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    81_A     A    81_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    82_A     D    82_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     K    83_A     K    83_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    84_A     L    84_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    85_A     T    85_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    86_A     T    86_A     87   91   92     36   66   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    87_A     D    87_A     87   91   92     36   65   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    88_A     A    88_A     87   91   92     36   65   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    89_A     E    89_A     87   91   92     36   65   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    90_A     A    90_A     87   91   92     36   65   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    91_A     L    91_A     87   91   92     36   65   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    92_A     A    92_A     87   91   92     36   64   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    93_A     R    93_A     87   91   92     36   63   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    94_A     L    94_A     87   91   92     35   63   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    95_A     E    95_A     87   91   92     27   55   81   84   86   88   89   90   90   90   91   91   91   91   91   91   91   92   92   92 
LCS_AVERAGE  LCS_A:  92.14  (  86.78   93.82   95.83 )

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     36     66     81     84     86     88     89     90     90     90     91     91     91     91     91     91     91     92     92     92 
GDT PERCENT_AT  37.50  68.75  84.37  87.50  89.58  91.67  92.71  93.75  93.75  93.75  94.79  94.79  94.79  94.79  94.79  94.79  94.79  95.83  95.83  95.83
GDT RMS_LOCAL    0.28   0.67   0.80   0.85   0.92   1.04   1.13   1.24   1.24   1.24   1.52   1.52   1.52   1.52   1.52   1.52   1.52   2.14   2.14   2.14
GDT RMS_ALL_AT   2.45   2.19   2.23   2.22   2.22   2.22   2.20   2.19   2.19   2.19   2.16   2.16   2.16   2.16   2.16   2.16   2.16   2.14   2.14   2.14

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    79_A      E    79_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    15.081     0    0.226   0.217    16.881    0.000    0.000
LGA    K     3_A      K     3_A     8.531     0    0.523   1.032    10.875    8.333    4.974
LGA    E     4_A      E     4_A     4.244     0    0.174   0.974     7.264   33.214   27.831
LGA    R     5_A      R     5_A     4.978     0    0.670   1.085    15.955   28.333   12.294
LGA    A     6_A      A     6_A     3.204     0    0.550   0.562     4.348   61.071   56.286
LGA    L     7_A      L     7_A     1.238     0    0.015   0.087     2.905   77.143   72.024
LGA    T     8_A      T     8_A     0.828     0    0.034   0.053     1.608   92.857   86.735
LGA    L     9_A      L     9_A     0.944     0    0.012   0.113     1.438   90.476   85.952
LGA    E    10_A      E    10_A     1.116     0    0.029   1.208     3.688   85.952   77.302
LGA    A    11_A      A    11_A     0.642     0    0.016   0.025     0.770   92.857   92.381
LGA    L    12_A      L    12_A     0.657     0    0.023   0.089     0.964   90.476   90.476
LGA    R    13_A      R    13_A     0.873     0    0.020   1.291     4.845   90.476   78.874
LGA    V    14_A      V    14_A     0.577     0    0.029   0.049     0.728   92.857   93.197
LGA    M    15_A      M    15_A     0.424     0    0.035   0.846     2.465   95.238   92.024
LGA    D    16_A      D    16_A     0.783     0    0.036   0.197     1.400   90.476   88.214
LGA    A    17_A      A    17_A     0.709     0    0.026   0.030     0.767   90.476   90.476
LGA    I    18_A      I    18_A     0.618     0    0.029   0.115     0.944   90.476   90.476
LGA    D    19_A      D    19_A     1.069     0    0.064   0.103     1.611   83.690   81.488
LGA    R    20_A      R    20_A     0.868     0    0.101   1.439     5.061   88.214   72.035
LGA    R    21_A      R    21_A     0.661     0    0.059   1.244     3.849   90.476   79.957
LGA    G    22_A      G    22_A     0.835     0    0.029   0.029     0.994   90.476   90.476
LGA    S    23_A      S    23_A     0.758     0    0.041   0.074     0.839   92.857   92.063
LGA    F    24_A      F    24_A     0.588     0    0.022   0.527     1.915   90.476   86.450
LGA    A    25_A      A    25_A     0.665     0    0.007   0.019     0.681   90.476   90.476
LGA    A    26_A      A    26_A     0.751     0    0.015   0.019     0.858   90.476   90.476
LGA    A    27_A      A    27_A     0.715     0    0.017   0.025     0.770   90.476   90.476
LGA    A    28_A      A    28_A     0.538     0    0.022   0.028     0.579   90.476   92.381
LGA    D    29_A      D    29_A     0.541     0    0.022   0.847     3.134   92.857   85.536
LGA    E    30_A      E    30_A     0.768     0    0.024   0.418     1.296   88.214   88.466
LGA    L    31_A      L    31_A     0.902     0    0.019   0.138     1.719   90.476   86.012
LGA    G    32_A      G    32_A     0.591     0    0.035   0.035     0.639   95.238   95.238
LGA    R    33_A      R    33_A     0.386     0    0.043   1.702     6.363  100.000   62.597
LGA    V    34_A      V    34_A     0.514     0    0.036   1.143     3.069   92.857   82.381
LGA    P    35_A      P    35_A     0.672     0    0.011   0.055     1.199   90.595   90.544
LGA    S    36_A      S    36_A     1.270     0    0.150   0.193     1.909   83.690   81.508
LGA    A    37_A      A    37_A     1.253     0    0.020   0.020     1.301   81.429   81.429
LGA    L    38_A      L    38_A     1.138     0    0.054   0.997     3.446   81.429   73.393
LGA    S    39_A      S    39_A     1.091     0    0.024   0.040     1.243   81.429   81.429
LGA    Y    40_A      Y    40_A     1.600     0    0.049   1.305    10.954   77.143   39.841
LGA    T    41_A      T    41_A     1.558     0    0.040   0.055     1.695   77.143   75.306
LGA    M    42_A      M    42_A     1.064     0    0.014   0.764     2.374   81.429   78.333
LGA    Q    43_A      Q    43_A     1.114     0    0.086   1.008     4.959   83.690   71.481
LGA    K    44_A      K    44_A     1.077     0    0.030   1.180     5.585   81.429   61.640
LGA    L    45_A      L    45_A     1.234     0    0.030   0.054     1.824   81.429   78.214
LGA    E    46_A      E    46_A     0.877     0    0.010   0.122     1.336   90.476   87.460
LGA    E    47_A      E    47_A     0.776     0    0.053   0.283     1.489   90.476   89.471
LGA    E    48_A      E    48_A     0.935     0    0.020   0.179     1.050   88.214   88.466
LGA    L    49_A      L    49_A     0.999     0    0.046   0.093     1.830   88.214   82.679
LGA    D    50_A      D    50_A     0.381     0    0.096   0.865     4.154   97.619   78.155
LGA    V    51_A      V    51_A     0.259     0    0.029   0.086     0.736  100.000   95.918
LGA    V    52_A      V    52_A     0.448     0    0.051   0.082     0.943   95.238   93.197
LGA    L    53_A      L    53_A     0.701     0    0.077   1.151     2.732   90.476   82.976
LGA    F    54_A      F    54_A     0.776     0    0.058   0.155     1.622   90.476   85.584
LGA    D    55_A      D    55_A     0.980     0    0.063   0.323     2.066   79.643   83.929
LGA    R    56_A      R    56_A     3.199     0    0.072   0.794     8.301   50.476   36.407
LGA    S    57_A      S    57_A     2.263     0    0.097   0.132     2.373   64.762   64.762
LGA    R    60_A      R    60_A     2.423     6    0.073   0.072     3.106   63.095   29.567
LGA    T    61_A      T    61_A     0.734     0    0.119   1.185     2.555   88.214   79.456
LGA    K    62_A      K    62_A     0.959     0    0.077   0.984     4.069   90.476   76.296
LGA    F    63_A      F    63_A     0.694     0    0.012   0.042     0.943   90.476   90.476
LGA    T    64_A      T    64_A     0.544     0    0.042   0.051     0.727   90.476   91.837
LGA    N    65_A      N    65_A     0.464     0    0.020   0.162     1.056  100.000   96.488
LGA    V    66_A      V    66_A     0.339     0    0.010   0.030     0.458  100.000  100.000
LGA    G    67_A      G    67_A     0.653     0    0.018   0.018     0.708   90.476   90.476
LGA    R    68_A      R    68_A     0.935     0    0.042   0.856     1.849   90.476   84.805
LGA    M    69_A      M    69_A     0.745     0    0.051   0.931     3.591   90.476   84.583
LGA    L    70_A      L    70_A     0.787     0    0.010   0.114     1.133   90.476   89.345
LGA    L    71_A      L    71_A     0.960     0    0.041   0.107     1.071   85.952   84.821
LGA    E    72_A      E    72_A     1.556     0    0.036   1.199     5.439   75.000   54.868
LGA    R    73_A      R    73_A     1.781     0    0.099   1.246     3.489   77.143   63.853
LGA    G    74_A      G    74_A     0.642     0    0.123   0.123     0.991   95.238   95.238
LGA    R    75_A      R    75_A     0.314     0    0.079   0.261     3.214   97.619   78.571
LGA    V    76_A      V    76_A     0.612     0    0.019   0.096     1.047   92.857   90.544
LGA    L    77_A      L    77_A     0.547     0    0.013   0.932     2.759   92.857   86.488
LGA    L    78_A      L    78_A     0.428     0    0.019   0.056     0.503  100.000   98.810
LGA    E    79_A      E    79_A     0.216     0    0.010   0.975     3.047  100.000   81.852
LGA    A    80_A      A    80_A     0.253     0    0.068   0.072     0.535  100.000   98.095
LGA    A    81_A      A    81_A     0.416     0    0.010   0.017     0.510   97.619   98.095
LGA    D    82_A      D    82_A     0.351     0    0.013   0.174     0.806   97.619   97.619
LGA    K    83_A      K    83_A     0.293     0    0.046   0.643     2.424  100.000   90.106
LGA    L    84_A      L    84_A     0.458     0    0.017   1.420     3.411   97.619   81.905
LGA    T    85_A      T    85_A     0.460     0    0.012   0.019     0.534   97.619   98.639
LGA    T    86_A      T    86_A     0.491     0    0.015   0.023     0.653   95.238   95.918
LGA    D    87_A      D    87_A     0.628     0    0.013   0.052     0.868   90.476   90.476
LGA    A    88_A      A    88_A     0.914     0    0.005   0.007     1.092   85.952   85.048
LGA    E    89_A      E    89_A     1.166     0    0.033   0.933     4.247   81.429   64.550
LGA    A    90_A      A    90_A     0.976     0    0.025   0.027     1.031   88.214   88.667
LGA    L    91_A      L    91_A     0.912     0    0.008   1.426     3.717   85.952   73.095
LGA    A    92_A      A    92_A     1.349     0    0.014   0.015     1.506   79.286   79.714
LGA    R    93_A      R    93_A     1.416     0    0.031   1.604     6.100   79.286   64.242
LGA    L    94_A      L    94_A     1.336     0    0.091   0.145     1.813   77.143   79.286
LGA    E    95_A      E    95_A     1.725     0    0.341   0.913     6.513   79.286   54.815

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     712    712  100.00                96
SUMMARY(RMSD_GDC):     2.141          2.074                  2.728           81.556   75.800

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   96    4.0     90    1.24    86.198    90.414     6.694

LGA_LOCAL      RMSD:   1.244  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.186  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   2.141  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.561879 * X  +  -0.300590 * Y  +  -0.770673 * Z  +  13.800234
  Y_new =   0.686965 * X  +  -0.688566 * Y  +  -0.232284 * Z  +  17.373436
  Z_new =  -0.460837 * X  +  -0.659941 * Y  +   0.593386 * Z  +  -3.738659 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.256366  0.478938 -0.838451   [DEG:  129.2802   27.4411  -48.0397 ]
ZXZ: -1.278052  0.935538 -2.532008   [DEG:  -73.2270   53.6024 -145.0734 ]
 
# END of job
