
#######################################################
#                                                     #
#                        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        2.12     2.12
  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     2.13
  LCS_AVERAGE:     94.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       7_A - 95_A        1.00     2.19
  LCS_AVERAGE:     87.09

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   80   92      3    3    3    3    4    5    7    7   13   16   19   22   23   23   37   79   88   92   92   92 
LCS_GDT     K     3_A     K     3_A      4   91   92      4    4    5    7   34   50   70   77   80   82   87   91   91   91   91   91   91   92   92   92 
LCS_GDT     E     4_A     E     4_A      4   91   92      4    4    5   64   73   83   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R     5_A     R     5_A     31   91   92      4    4    8   63   73   79   87   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A     6_A     A     6_A     81   91   92      4    4   11   38   75   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L     7_A     L     7_A     87   91   92      3   40   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     T     8_A     T     8_A     87   91   92     29   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L     9_A     L     9_A     87   91   92     23   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    10_A     E    10_A     87   91   92     22   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    11_A     A    11_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    12_A     L    12_A     87   91   92     27   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    13_A     R    13_A     87   91   92     22   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    14_A     V    14_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     M    15_A     M    15_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    16_A     D    16_A     87   91   92     24   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    17_A     A    17_A     87   91   92     29   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     I    18_A     I    18_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    19_A     D    19_A     87   91   92     22   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    20_A     R    20_A     87   91   92     26   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    21_A     R    21_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    22_A     G    22_A     87   91   92     31   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    23_A     S    23_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     F    24_A     F    24_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    25_A     A    25_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    26_A     A    26_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    27_A     A    27_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    28_A     A    28_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    29_A     D    29_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    30_A     E    30_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    31_A     L    31_A     87   91   92     25   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    32_A     G    32_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    33_A     R    33_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    34_A     V    34_A     87   91   92     31   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     P    35_A     P    35_A     87   91   92     26   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    36_A     S    36_A     87   91   92     13   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    37_A     A    37_A     87   91   92     13   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    38_A     L    38_A     87   91   92      8   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    39_A     S    39_A     87   91   92     10   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     Y    40_A     Y    40_A     87   91   92     13   63   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    41_A     T    41_A     87   91   92     10   63   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     M    42_A     M    42_A     87   91   92     10   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     Q    43_A     Q    43_A     87   91   92     15   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     K    44_A     K    44_A     87   91   92     16   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    45_A     L    45_A     87   91   92     10   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    46_A     E    46_A     87   91   92     10   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    47_A     E    47_A     87   91   92     10   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    48_A     E    48_A     87   91   92     10   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    49_A     L    49_A     87   91   92     10   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    50_A     D    50_A     87   91   92     26   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    51_A     V    51_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    52_A     V    52_A     87   91   92     30   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    53_A     L    53_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     F    54_A     F    54_A     87   91   92     19   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    55_A     D    55_A     87   91   92     23   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    56_A     R    56_A     87   91   92      3    5   11   48   66   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     S    57_A     S    57_A     87   91   92      3   17   37   72   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    60_A     R    60_A     87   91   92      4   20   60   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    61_A     T    61_A     87   91   92     17   60   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     K    62_A     K    62_A     87   91   92     17   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     F    63_A     F    63_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    64_A     T    64_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     N    65_A     N    65_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    66_A     V    66_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    67_A     G    67_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    68_A     R    68_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     M    69_A     M    69_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    70_A     L    70_A     87   91   92     17   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    71_A     L    71_A     87   91   92     17   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    72_A     E    72_A     87   91   92     13   63   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    73_A     R    73_A     87   91   92     20   63   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     G    74_A     G    74_A     87   91   92     26   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    75_A     R    75_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     V    76_A     V    76_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    77_A     L    77_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    78_A     L    78_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    79_A     E    79_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    80_A     A    80_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    81_A     A    81_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    82_A     D    82_A     87   91   92     32   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     K    83_A     K    83_A     87   91   92     31   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    84_A     L    84_A     87   91   92     31   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    85_A     T    85_A     87   91   92     31   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     T    86_A     T    86_A     87   91   92     29   64   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     D    87_A     D    87_A     87   91   92     27   61   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    88_A     A    88_A     87   91   92     24   61   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    89_A     E    89_A     87   91   92     16   61   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    90_A     A    90_A     87   91   92      4   62   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    91_A     L    91_A     87   91   92     26   62   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     A    92_A     A    92_A     87   91   92      4   53   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     R    93_A     R    93_A     87   91   92     17   54   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     L    94_A     L    94_A     87   91   92     27   54   83   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_GDT     E    95_A     E    95_A     87   91   92      3   39   66   84   86   88   88   90   90   90   90   91   91   91   91   91   91   92   92   92 
LCS_AVERAGE  LCS_A:  92.53  (  87.09   94.67   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     32     64     83     84     86     88     88     90     90     90     90     91     91     91     91     91     91     92     92     92 
GDT PERCENT_AT  33.33  66.67  86.46  87.50  89.58  91.67  91.67  93.75  93.75  93.75  93.75  94.79  94.79  94.79  94.79  94.79  94.79  95.83  95.83  95.83
GDT RMS_LOCAL    0.36   0.65   0.85   0.87   0.94   1.05   1.05   1.24   1.24   1.24   1.24   1.52   1.52   1.52   1.52   1.52   1.52   2.12   2.12   2.12
GDT RMS_ALL_AT   2.20   2.15   2.19   2.19   2.19   2.19   2.19   2.16   2.16   2.16   2.16   2.13   2.13   2.13   2.13   2.13   2.13   2.12   2.12   2.12

# 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:  D    55_A      D    55_A
#   possible swapping detected:  E    79_A      E    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    14.754     0    0.554   0.548    16.623    0.000    0.000
LGA    K     3_A      K     3_A     8.542     0    0.461   1.322    11.525    8.333    5.661
LGA    E     4_A      E     4_A     4.327     0    0.168   0.974     7.356   33.214   26.508
LGA    R     5_A      R     5_A     4.662     0    0.668   1.050    15.000   29.762   13.550
LGA    A     6_A      A     6_A     3.212     0    0.558   0.568     4.399   61.071   56.286
LGA    L     7_A      L     7_A     1.306     0    0.011   0.084     2.986   77.143   72.024
LGA    T     8_A      T     8_A     0.945     0    0.032   0.051     1.715   92.857   86.735
LGA    L     9_A      L     9_A     0.999     0    0.010   0.107     1.515   85.952   82.619
LGA    E    10_A      E    10_A     1.214     0    0.027   1.212     3.646   85.952   76.349
LGA    A    11_A      A    11_A     0.702     0    0.020   0.027     0.861   92.857   92.381
LGA    L    12_A      L    12_A     0.651     0    0.021   0.087     0.818   90.476   90.476
LGA    R    13_A      R    13_A     0.920     0    0.023   1.279     4.553   90.476   79.610
LGA    V    14_A      V    14_A     0.542     0    0.022   0.073     0.641   92.857   94.558
LGA    M    15_A      M    15_A     0.458     0    0.032   0.839     2.287   92.857   89.702
LGA    D    16_A      D    16_A     0.811     0    0.039   0.210     1.496   90.476   88.214
LGA    A    17_A      A    17_A     0.736     0    0.027   0.032     0.790   90.476   90.476
LGA    I    18_A      I    18_A     0.670     0    0.034   0.082     0.953   90.476   90.476
LGA    D    19_A      D    19_A     1.090     0    0.064   0.082     1.600   83.690   81.488
LGA    R    20_A      R    20_A     0.889     0    0.103   1.443     5.183   88.214   70.649
LGA    R    21_A      R    21_A     0.714     0    0.061   1.240     3.966   90.476   79.221
LGA    G    22_A      G    22_A     0.851     0    0.025   0.025     0.883   90.476   90.476
LGA    S    23_A      S    23_A     0.647     0    0.045   0.076     0.672   92.857   92.063
LGA    F    24_A      F    24_A     0.508     0    0.024   0.535     1.862   92.857   89.004
LGA    A    25_A      A    25_A     0.526     0    0.006   0.016     0.580   90.476   92.381
LGA    A    26_A      A    26_A     0.662     0    0.015   0.018     0.780   90.476   90.476
LGA    A    27_A      A    27_A     0.703     0    0.020   0.024     0.770   90.476   90.476
LGA    A    28_A      A    28_A     0.387     0    0.019   0.025     0.487  100.000  100.000
LGA    D    29_A      D    29_A     0.502     0    0.021   0.845     3.000   92.857   85.536
LGA    E    30_A      E    30_A     0.736     0    0.013   0.409     1.353   90.476   89.471
LGA    L    31_A      L    31_A     0.846     0    0.145   0.258     1.786   90.476   86.012
LGA    G    32_A      G    32_A     0.711     0    0.025   0.025     0.824   92.857   92.857
LGA    R    33_A      R    33_A     0.239     0    0.053   1.670     6.484  100.000   62.900
LGA    V    34_A      V    34_A     0.184     0    0.067   1.132     2.467   97.619   88.571
LGA    P    35_A      P    35_A     0.519     0    0.013   0.052     1.051   90.595   91.905
LGA    S    36_A      S    36_A     1.197     0    0.147   0.193     1.833   83.690   81.508
LGA    A    37_A      A    37_A     1.225     0    0.013   0.014     1.267   81.429   81.429
LGA    L    38_A      L    38_A     1.083     0    0.051   0.946     3.161   81.429   73.393
LGA    S    39_A      S    39_A     1.088     0    0.032   0.055     1.217   83.690   82.937
LGA    Y    40_A      Y    40_A     1.535     0    0.051   1.300    10.821   79.286   41.865
LGA    T    41_A      T    41_A     1.439     0    0.037   0.045     1.556   81.429   80.204
LGA    M    42_A      M    42_A     0.978     0    0.024   0.108     1.131   83.690   87.083
LGA    Q    43_A      Q    43_A     1.171     0    0.086   1.010     4.862   81.429   70.370
LGA    K    44_A      K    44_A     1.141     0    0.032   1.179     5.602   81.429   61.640
LGA    L    45_A      L    45_A     1.243     0    0.030   0.061     1.776   81.429   78.214
LGA    E    46_A      E    46_A     0.896     0    0.023   0.056     1.323   88.214   86.455
LGA    E    47_A      E    47_A     0.836     0    0.058   0.278     1.517   90.476   86.508
LGA    E    48_A      E    48_A     0.946     0    0.015   0.165     1.095   90.476   88.466
LGA    L    49_A      L    49_A     0.928     0    0.051   0.092     1.735   90.476   83.810
LGA    D    50_A      D    50_A     0.358     0    0.033   0.161     0.790   97.619   94.048
LGA    V    51_A      V    51_A     0.297     0    0.144   1.082     3.109   90.833   82.381
LGA    V    52_A      V    52_A     0.308     0    0.033   0.098     0.858  100.000   95.918
LGA    L    53_A      L    53_A     0.565     0    0.048   1.139     2.881   92.857   84.167
LGA    F    54_A      F    54_A     0.591     0    0.019   0.109     0.965   90.476   90.476
LGA    D    55_A      D    55_A     0.483     0    0.649   1.080     3.655   90.833   78.571
LGA    R    56_A      R    56_A     3.197     0    0.180   1.145     4.376   48.571   54.978
LGA    S    57_A      S    57_A     2.650     0    0.162   0.538     3.457   59.048   57.222
LGA    R    60_A      R    60_A     2.018     6    0.049   0.069     2.631   66.905   31.732
LGA    T    61_A      T    61_A     1.161     0    0.035   0.097     1.546   79.286   80.204
LGA    K    62_A      K    62_A     0.911     0    0.035   0.710     1.992   90.476   86.561
LGA    F    63_A      F    63_A     0.509     0    0.013   0.050     0.804   90.476   90.476
LGA    T    64_A      T    64_A     0.411     0    0.037   0.037     0.566   97.619   98.639
LGA    N    65_A      N    65_A     0.412     0    0.021   0.160     0.835  100.000   98.810
LGA    V    66_A      V    66_A     0.551     0    0.048   1.136     3.088   97.619   86.258
LGA    G    67_A      G    67_A     0.603     0    0.071   0.071     0.677   90.476   90.476
LGA    R    68_A      R    68_A     0.731     0    0.054   0.846     1.993   90.476   84.805
LGA    M    69_A      M    69_A     0.659     0    0.041   0.924     3.478   90.476   84.286
LGA    L    70_A      L    70_A     0.852     0    0.010   0.078     1.239   88.214   88.214
LGA    L    71_A      L    71_A     0.947     0    0.034   0.110     1.035   88.214   88.214
LGA    E    72_A      E    72_A     1.296     0    0.048   0.143     2.221   81.429   75.767
LGA    R    73_A      R    73_A     1.466     0    0.092   1.243     3.112   83.690   69.740
LGA    G    74_A      G    74_A     0.533     0    0.071   0.071     0.773   95.238   95.238
LGA    R    75_A      R    75_A     0.302     0    0.272   0.289     3.485   97.619   77.922
LGA    V    76_A      V    76_A     0.424     0    0.057   0.060     0.637   97.619   98.639
LGA    L    77_A      L    77_A     0.418     0    0.008   0.937     3.055  100.000   90.238
LGA    L    78_A      L    78_A     0.525     0    0.017   0.067     0.661   97.619   94.048
LGA    E    79_A      E    79_A     0.290     0    0.018   0.964     3.311  100.000   80.159
LGA    A    80_A      A    80_A     0.153     0    0.071   0.075     0.466  100.000  100.000
LGA    A    81_A      A    81_A     0.290     0    0.008   0.015     0.345  100.000  100.000
LGA    D    82_A      D    82_A     0.178     0    0.017   0.179     0.701   97.619   96.429
LGA    K    83_A      K    83_A     0.450     0    0.050   0.638     2.841   95.238   84.286
LGA    L    84_A      L    84_A     0.646     0    0.024   1.422     3.827   90.476   75.357
LGA    T    85_A      T    85_A     0.416     0    0.020   0.030     0.571   95.238   97.279
LGA    T    86_A      T    86_A     0.628     0    0.029   0.028     0.843   92.857   91.837
LGA    D    87_A      D    87_A     1.028     0    0.051   0.092     1.202   83.690   87.083
LGA    A    88_A      A    88_A     1.239     0    0.212   0.222     1.239   81.429   81.429
LGA    E    89_A      E    89_A     1.213     0    0.088   0.894     5.181   79.286   62.169
LGA    A    90_A      A    90_A     1.247     0    0.102   0.101     2.294   79.524   79.905
LGA    L    91_A      L    91_A     1.080     0    0.092   1.394     3.548   77.143   68.512
LGA    A    92_A      A    92_A     1.644     0    0.258   0.271     3.042   65.119   68.381
LGA    R    93_A      R    93_A     1.665     0    0.087   1.159     5.316   70.833   56.580
LGA    L    94_A      L    94_A     1.577     0    0.177   0.198     2.020   72.976   77.202
LGA    E    95_A      E    95_A     2.078     0    0.185   0.277     5.965   72.976   49.788

# 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):     2.116          2.048                  2.621           81.217   76.015

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   96    4.0     90    1.24    85.677    90.516     6.694

LGA_LOCAL      RMSD:   1.245  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.162  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   2.116  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.164641 * X  +  -0.539469 * Y  +   0.825752 * Z  +  17.044485
  Y_new =   0.541359 * X  +   0.650392 * Y  +   0.532843 * Z  +  12.937446
  Z_new =  -0.824515 * X  +   0.534756 * Y  +   0.184965 * Z  +  -6.536901 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.866034  0.969344  1.237790   [DEG:  106.9158   55.5393   70.9201 ]
ZXZ:  2.143848  1.384760 -0.995427   [DEG:  122.8334   79.3409  -57.0338 ]
 
# END of job
