
#######################################################
#                                                     #
#                        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        1.93     1.93
  LCS_AVERAGE:     95.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       2_A - 95_A        1.93     1.93
  LCS_AVERAGE:     95.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       6_A - 95_A        0.98     2.01
  LCS_AVERAGE:     87.85

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   92   92      3    3    3    5    7    9   13   27   32   75   78   82   86   92   92   92   92   92   92   92 
LCS_GDT     K     3_A     K     3_A      4   92   92      4    4    4    4    7   18   24   58   74   77   82   87   90   92   92   92   92   92   92   92 
LCS_GDT     E     4_A     E     4_A      4   92   92      4    4    4   41   69   76   80   86   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R     5_A     R     5_A      4   92   92      4    4   24   62   72   79   84   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A     6_A     A     6_A     88   92   92      4   12   29   64   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L     7_A     L     7_A     88   92   92      3   49   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     T     8_A     T     8_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L     9_A     L     9_A     88   92   92     26   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    10_A     E    10_A     88   92   92     26   64   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    11_A     A    11_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    12_A     L    12_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    13_A     R    13_A     88   92   92     26   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     V    14_A     V    14_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     M    15_A     M    15_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     D    16_A     D    16_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    17_A     A    17_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     I    18_A     I    18_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     D    19_A     D    19_A     88   92   92     24   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    20_A     R    20_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    21_A     R    21_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     G    22_A     G    22_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     S    23_A     S    23_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     F    24_A     F    24_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    25_A     A    25_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    26_A     A    26_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    27_A     A    27_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    28_A     A    28_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     D    29_A     D    29_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    30_A     E    30_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    31_A     L    31_A     88   92   92     17   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     G    32_A     G    32_A     88   92   92     17   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    33_A     R    33_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     V    34_A     V    34_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     P    35_A     P    35_A     88   92   92     26   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     S    36_A     S    36_A     88   92   92     13   66   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    37_A     A    37_A     88   92   92     13   63   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    38_A     L    38_A     88   92   92     10   66   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     S    39_A     S    39_A     88   92   92     13   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     Y    40_A     Y    40_A     88   92   92     13   61   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     T    41_A     T    41_A     88   92   92     10   56   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     M    42_A     M    42_A     88   92   92     10   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     Q    43_A     Q    43_A     88   92   92     14   66   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     K    44_A     K    44_A     88   92   92     14   66   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    45_A     L    45_A     88   92   92     10   63   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    46_A     E    46_A     88   92   92     11   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    47_A     E    47_A     88   92   92     11   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    48_A     E    48_A     88   92   92     11   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    49_A     L    49_A     88   92   92     10   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     D    50_A     D    50_A     88   92   92     29   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     V    51_A     V    51_A     88   92   92     29   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     V    52_A     V    52_A     88   92   92     30   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    53_A     L    53_A     88   92   92     32   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     F    54_A     F    54_A     88   92   92     15   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     D    55_A     D    55_A     88   92   92     13   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    56_A     R    56_A     88   92   92      3    3   11   42   69   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     S    57_A     S    57_A     88   92   92     13   22   71   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    60_A     R    60_A     88   92   92      9   22   71   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     T    61_A     T    61_A     88   92   92     32   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     K    62_A     K    62_A     88   92   92     15   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     F    63_A     F    63_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     T    64_A     T    64_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     N    65_A     N    65_A     88   92   92     32   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     V    66_A     V    66_A     88   92   92     32   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     G    67_A     G    67_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    68_A     R    68_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     M    69_A     M    69_A     88   92   92     36   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    70_A     L    70_A     88   92   92     31   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    71_A     L    71_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    72_A     E    72_A     88   92   92     12   61   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    73_A     R    73_A     88   92   92     15   54   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     G    74_A     G    74_A     88   92   92     36   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    75_A     R    75_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     V    76_A     V    76_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    77_A     L    77_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    78_A     L    78_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    79_A     E    79_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    80_A     A    80_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    81_A     A    81_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     D    82_A     D    82_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     K    83_A     K    83_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    84_A     L    84_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     T    85_A     T    85_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     T    86_A     T    86_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     D    87_A     D    87_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    88_A     A    88_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    89_A     E    89_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    90_A     A    90_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    91_A     L    91_A     88   92   92     37   68   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     A    92_A     A    92_A     88   92   92     37   67   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     R    93_A     R    93_A     88   92   92     37   67   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     L    94_A     L    94_A     88   92   92     37   67   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_GDT     E    95_A     E    95_A     88   92   92     21   62   84   86   87   88   88   89   90   90   90   90   90   92   92   92   92   92   92   92 
LCS_AVERAGE  LCS_A:  93.17  (  87.85   95.83   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     37     68     84     86     87     88     88     89     90     90     90     90     90     92     92     92     92     92     92     92 
GDT PERCENT_AT  38.54  70.83  87.50  89.58  90.62  91.67  91.67  92.71  93.75  93.75  93.75  93.75  93.75  95.83  95.83  95.83  95.83  95.83  95.83  95.83
GDT RMS_LOCAL    0.25   0.65   0.81   0.86   0.91   0.98   0.98   1.11   1.27   1.27   1.27   1.27   1.27   1.93   1.93   1.93   1.93   1.93   1.93   1.93
GDT RMS_ALL_AT   2.26   2.02   2.02   2.01   2.01   2.01   2.01   1.99   1.97   1.97   1.97   1.97   1.97   1.93   1.93   1.93   1.93   1.93   1.93   1.93

# 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    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    10.748     0    0.300   0.297    12.894    0.119    0.095
LGA    K     3_A      K     3_A    10.152     0    0.266   1.155    17.137    2.024    0.899
LGA    E     4_A      E     4_A     5.888     0    0.555   1.200     7.405   17.500   19.259
LGA    R     5_A      R     5_A     5.016     0    0.643   1.427    12.079   27.738   13.030
LGA    A     6_A      A     6_A     2.784     0    0.567   0.575     3.779   62.857   58.952
LGA    L     7_A      L     7_A     1.167     0    0.055   0.108     2.897   75.119   72.024
LGA    T     8_A      T     8_A     0.911     0    0.034   0.054     1.635   90.476   85.374
LGA    L     9_A      L     9_A     1.012     0    0.008   0.109     1.455   83.690   82.560
LGA    E    10_A      E    10_A     1.193     0    0.029   1.215     3.686   85.952   77.302
LGA    A    11_A      A    11_A     0.727     0    0.023   0.028     0.872   92.857   92.381
LGA    L    12_A      L    12_A     0.657     0    0.020   0.082     0.766   90.476   90.476
LGA    R    13_A      R    13_A     0.885     0    0.023   1.275     4.585   90.476   79.610
LGA    V    14_A      V    14_A     0.558     0    0.024   0.069     0.644   90.476   93.197
LGA    M    15_A      M    15_A     0.487     0    0.029   0.840     2.238   92.857   88.512
LGA    D    16_A      D    16_A     0.780     0    0.040   0.207     1.425   90.476   88.214
LGA    A    17_A      A    17_A     0.725     0    0.023   0.028     0.800   90.476   90.476
LGA    I    18_A      I    18_A     0.645     0    0.036   0.093     0.923   90.476   90.476
LGA    D    19_A      D    19_A     0.953     0    0.064   0.123     1.318   88.214   84.821
LGA    R    20_A      R    20_A     0.816     0    0.101   1.441     5.150   88.214   72.208
LGA    R    21_A      R    21_A     0.753     0    0.063   1.242     3.929   90.476   79.221
LGA    G    22_A      G    22_A     0.926     0    0.031   0.031     1.039   88.214   88.214
LGA    S    23_A      S    23_A     0.649     0    0.036   0.065     0.675   92.857   92.063
LGA    F    24_A      F    24_A     0.473     0    0.023   0.508     1.626   97.619   92.381
LGA    A    25_A      A    25_A     0.497     0    0.009   0.016     0.532   92.857   94.286
LGA    A    26_A      A    26_A     0.639     0    0.016   0.019     0.777   90.476   90.476
LGA    A    27_A      A    27_A     0.691     0    0.020   0.024     0.770   90.476   90.476
LGA    A    28_A      A    28_A     0.362     0    0.019   0.025     0.476  100.000  100.000
LGA    D    29_A      D    29_A     0.500     0    0.020   0.844     2.955   92.857   86.429
LGA    E    30_A      E    30_A     0.743     0    0.017   0.410     1.362   90.476   89.471
LGA    L    31_A      L    31_A     0.853     0    0.145   0.256     1.776   90.476   86.012
LGA    G    32_A      G    32_A     0.734     0    0.022   0.022     0.834   90.476   90.476
LGA    R    33_A      R    33_A     0.190     0    0.054   1.668     6.483  100.000   62.900
LGA    V    34_A      V    34_A     0.121     0    0.068   1.132     2.460   97.619   88.571
LGA    P    35_A      P    35_A     0.473     0    0.015   0.054     0.992   95.238   93.197
LGA    S    36_A      S    36_A     1.184     0    0.142   0.189     1.849   83.690   81.508
LGA    A    37_A      A    37_A     1.216     0    0.012   0.013     1.255   81.429   81.429
LGA    L    38_A      L    38_A     1.075     0    0.057   0.950     3.105   85.952   76.726
LGA    S    39_A      S    39_A     0.972     0    0.056   0.649     1.644   88.214   84.524
LGA    Y    40_A      Y    40_A     1.503     0    0.030   1.291    10.589   79.286   42.341
LGA    T    41_A      T    41_A     1.421     0    0.030   0.040     1.534   81.429   80.204
LGA    M    42_A      M    42_A     0.944     0    0.034   0.111     1.119   83.690   87.083
LGA    Q    43_A      Q    43_A     1.159     0    0.070   0.494     2.084   81.429   78.624
LGA    K    44_A      K    44_A     1.131     0    0.033   1.181     5.614   81.429   61.640
LGA    L    45_A      L    45_A     1.225     0    0.035   0.056     1.686   81.429   78.214
LGA    E    46_A      E    46_A     0.855     0    0.018   0.104     1.322   90.476   88.466
LGA    E    47_A      E    47_A     0.809     0    0.047   0.316     1.865   90.476   86.508
LGA    E    48_A      E    48_A     0.947     0    0.013   0.920     3.179   90.476   76.614
LGA    L    49_A      L    49_A     0.959     0    0.057   0.103     1.792   90.476   83.810
LGA    D    50_A      D    50_A     0.303     0    0.042   0.157     1.006   97.619   94.107
LGA    V    51_A      V    51_A     0.505     0    0.120   1.116     3.672   92.976   82.585
LGA    V    52_A      V    52_A     0.267     0    0.037   0.110     1.028  100.000   94.626
LGA    L    53_A      L    53_A     0.599     0    0.044   1.151     3.151   92.857   83.274
LGA    F    54_A      F    54_A     0.686     0    0.051   0.114     1.204   90.476   87.186
LGA    D    55_A      D    55_A     0.977     0    0.063   0.375     2.277   79.643   85.060
LGA    R    56_A      R    56_A     3.444     0    0.047   0.741     5.779   48.571   35.887
LGA    S    57_A      S    57_A     2.031     0    0.510   0.736     2.404   64.762   64.762
LGA    R    60_A      R    60_A     1.911     6    0.134   0.189     2.535   73.214   34.026
LGA    T    61_A      T    61_A     0.718     0    0.059   0.143     2.026   85.952   80.408
LGA    K    62_A      K    62_A     0.872     0    0.095   1.008     4.115   90.476   75.344
LGA    F    63_A      F    63_A     0.611     0    0.014   0.024     0.783   90.476   90.476
LGA    T    64_A      T    64_A     0.482     0    0.037   0.040     0.655   95.238   97.279
LGA    N    65_A      N    65_A     0.424     0    0.023   0.161     0.942  100.000   97.619
LGA    V    66_A      V    66_A     0.419     0    0.012   0.040     0.523   95.238   97.279
LGA    G    67_A      G    67_A     0.586     0    0.018   0.018     0.633   90.476   90.476
LGA    R    68_A      R    68_A     0.823     0    0.047   0.838     1.897   90.476   85.628
LGA    M    69_A      M    69_A     0.695     0    0.042   0.916     3.436   90.476   84.286
LGA    L    70_A      L    70_A     0.832     0    0.011   0.104     1.246   88.214   88.214
LGA    L    71_A      L    71_A     0.917     0    0.040   0.120     1.036   90.476   89.345
LGA    E    72_A      E    72_A     1.432     0    0.036   1.255     5.465   79.286   56.772
LGA    R    73_A      R    73_A     1.656     0    0.095   1.240     3.138   77.143   65.931
LGA    G    74_A      G    74_A     0.610     0    0.127   0.127     0.951   95.238   95.238
LGA    R    75_A      R    75_A     0.307     0    0.099   1.596     9.387   97.619   58.874
LGA    V    76_A      V    76_A     0.490     0    0.018   0.097     0.800  100.000   95.918
LGA    L    77_A      L    77_A     0.488     0    0.012   0.931     2.839   97.619   88.750
LGA    L    78_A      L    78_A     0.512     0    0.022   0.066     0.598   97.619   94.048
LGA    E    79_A      E    79_A     0.274     0    0.013   0.940     3.249  100.000   79.365
LGA    A    80_A      A    80_A     0.133     0    0.072   0.075     0.451  100.000  100.000
LGA    A    81_A      A    81_A     0.294     0    0.008   0.014     0.332  100.000  100.000
LGA    D    82_A      D    82_A     0.119     0    0.014   0.186     0.721  100.000   97.619
LGA    K    83_A      K    83_A     0.339     0    0.047   0.642     2.833   97.619   85.344
LGA    L    84_A      L    84_A     0.510     0    0.019   1.419     3.765   95.238   77.738
LGA    T    85_A      T    85_A     0.302     0    0.017   0.023     0.377  100.000  100.000
LGA    T    86_A      T    86_A     0.403     0    0.016   0.022     0.631   95.238   95.918
LGA    D    87_A      D    87_A     0.739     0    0.015   0.053     0.950   90.476   90.476
LGA    A    88_A      A    88_A     0.837     0    0.007   0.007     0.953   90.476   90.476
LGA    E    89_A      E    89_A     0.908     0    0.012   0.168     1.312   90.476   88.466
LGA    A    90_A      A    90_A     0.882     0    0.014   0.015     0.921   90.476   90.476
LGA    L    91_A      L    91_A     0.900     0    0.010   1.425     3.873   85.952   73.095
LGA    A    92_A      A    92_A     1.206     0    0.013   0.014     1.357   81.429   81.429
LGA    R    93_A      R    93_A     1.282     0    0.025   0.311     1.580   81.429   80.649
LGA    L    94_A      L    94_A     1.191     0    0.090   0.139     1.608   79.286   80.357
LGA    E    95_A      E    95_A     1.517     0    0.352   0.912     6.252   79.286   55.238

# 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):     1.934          1.893                  2.658           82.187   76.581

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   96    4.0     89    1.11    87.240    91.388     7.328

LGA_LOCAL      RMSD:   1.114  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.989  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   1.934  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.109481 * X  +  -0.392491 * Y  +   0.913216 * Z  +  16.033842
  Y_new =   0.901854 * X  +   0.347077 * Y  +   0.257289 * Z  +  13.198590
  Z_new =  -0.417940 * X  +   0.851756 * Y  +   0.315971 * Z  +  -1.391293 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.691601  0.431176  1.215568   [DEG:   96.9216   24.7046   69.6469 ]
ZXZ:  1.845417  1.249316 -0.456164   [DEG:  105.7346   71.5805  -26.1363 ]
 
# END of job
