
#######################################################
#                                                     #
#                        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  107 (  868),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        2.15     2.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       1_A - 53_A        1.91     2.21
  LCS_AVERAGE:     50.72

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43       7_A - 49_A        0.97     2.34
  LONGEST_CONTINUOUS_SEGMENT:    43       8_A - 50_A        0.98     2.31
  LCS_AVERAGE:     39.91

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     34   53   90      5    8   21   68   80   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     35   53   90     13   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     35   53   90     34   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     35   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     35   53   90      6   42   70   78   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     35   53   90     10   42   70   78   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     43   53   90     15   56   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     43   53   90     35   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     43   53   90     21   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     43   53   90     24   56   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     43   53   90     26   56   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     43   53   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     43   53   90     31   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     43   53   90     25   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     43   53   90     15   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     43   53   90     21   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     43   53   90     21   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     43   53   90     11   60   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     43   53   90     26   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     43   53   90     17   31   67   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     43   53   90     17   33   67   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     43   53   90     17   33   68   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     43   53   90     17   56   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     43   53   90     17   56   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     43   53   90     17   43   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     43   53   90     17   60   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     43   53   90     18   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     43   53   90     23   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     43   53   90     20   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     43   53   90     24   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     43   53   90     34   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     43   53   90     26   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     43   53   90     26   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     43   53   90     26   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     43   53   90      5   26   70   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     18   53   90      5    9   27   46   76   81   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A      8   53   90      5    7   17   36   59   78   83   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A      5   53   90      5    5    5   10   15   24   34   45   61   80   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A      3   47   90      3    3    4    5   15   33   56   82   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      3   27   90      3    3   10   20   33   44   64   82   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      3   35   90      3    3    4    5    9   23   39   45   66   82   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   35   90      0    3    6   29   51   78   81   84   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   35   90      4   58   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   35   90      4    4   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   35   90     16   60   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   35   90     10   43   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   35   90     15   51   70   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   35   90     35   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   35   90     37   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   35   90     30   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   35   90     39   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   35   90     15   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   35   90     26   61   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   35   90     12   54   72   80   82   83   84   85   86   87   88   89   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  63.54  (  39.91   50.72  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     39     61     72     80     82     83     84     85     86     87     88     89     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  43.33  67.78  80.00  88.89  91.11  92.22  93.33  94.44  95.56  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.58   0.76   0.94   1.00   1.05   1.16   1.29   1.45   1.60   1.76   1.97   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15
GDT RMS_ALL_AT   2.52   2.37   2.33   2.30   2.34   2.34   2.30   2.27   2.23   2.20   2.17   2.16   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15

# Checking swapping
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     3.104     0    0.612   1.041     6.618   53.452   52.440
LGA    L     2_A      L     2_A     0.812     0    0.076   1.205     3.553   88.452   79.107
LGA    F     3_A      F     3_A     0.847     0    0.102   0.215     2.269   88.214   77.013
LGA    E     4_A      E     4_A     1.021     0    0.217   0.371     1.949   77.143   78.624
LGA    G     5_A      G     5_A     2.548     0    0.083   0.083     2.548   64.881   64.881
LGA    D     6_A      D     6_A     2.523     0    0.213   0.254     4.146   67.143   55.298
LGA    K     7_A      K     7_A     1.782     0    0.102   0.321     3.236   75.119   64.444
LGA    F     8_A      F     8_A     0.961     0    0.065   0.069     1.330   85.952   86.364
LGA    V     9_A      V     9_A     0.757     0    0.133   1.215     3.423   90.476   82.177
LGA    G    10_A      G    10_A     0.659     0    0.025   0.025     0.862   90.476   90.476
LGA    S    11_A      S    11_A     1.102     0    0.063   0.602     1.533   90.595   86.111
LGA    F    12_A      F    12_A     0.881     0    0.036   0.073     1.209   88.214   88.874
LGA    E    13_A      E    13_A     1.288     0    0.055   0.897     2.957   81.429   74.921
LGA    N    14_A      N    14_A     1.153     0    0.067   0.712     4.333   85.952   71.190
LGA    A    15_A      A    15_A     0.249     0    0.088   0.085     0.603   97.619   98.095
LGA    A    16_A      A    16_A     0.352     0    0.055   0.054     0.731  100.000   98.095
LGA    A    17_A      A    17_A     0.510     0    0.130   0.126     0.839   95.238   94.286
LGA    G    18_A      G    18_A     0.502     0    0.035   0.035     0.512   92.857   92.857
LGA    T    19_A      T    19_A     0.434     0    0.037   0.114     0.520   97.619   95.918
LGA    F    20_A      F    20_A     0.520     0    0.043   0.248     0.967   92.857   92.208
LGA    V    21_A      V    21_A     0.693     0    0.048   0.061     0.856   90.476   90.476
LGA    L    22_A      L    22_A     0.524     0    0.088   1.156     3.973   92.857   82.440
LGA    D    23_A      D    23_A     0.671     0    0.031   0.141     1.164   90.476   88.214
LGA    M    24_A      M    24_A     0.485     0    0.061   0.225     0.734   97.619   97.619
LGA    Y    25_A      Y    25_A     0.447     0    0.041   0.076     0.879   95.238   95.238
LGA    A    26_A      A    26_A     0.731     0    0.022   0.033     0.781   90.476   90.476
LGA    Y    27_A      Y    27_A     0.362     0    0.037   0.133     0.720   97.619   96.032
LGA    E    28_A      E    28_A     0.668     0    0.039   0.614     2.994   92.857   82.910
LGA    R    29_A      R    29_A     0.766     0    0.033   1.369     4.075   88.214   77.792
LGA    L    30_A      L    30_A     0.936     0    0.049   1.031     3.633   88.214   79.107
LGA    A    31_A      A    31_A     0.695     0    0.069   0.066     0.723   90.476   90.476
LGA    N    32_A      N    32_A     0.954     0    0.194   0.348     1.734   83.810   84.881
LGA    S    33_A      S    33_A     1.169     0    0.199   0.228     1.818   79.286   80.000
LGA    I    34_A      I    34_A     0.626     0    0.637   0.651     2.512   82.143   87.500
LGA    S    35_A      S    35_A     2.202     0    0.057   0.587     3.770   68.810   63.889
LGA    T    36_A      T    36_A     2.238     0    0.037   1.127     3.101   64.762   63.810
LGA    E    37_A      E    37_A     2.156     0    0.020   0.375     4.522   68.810   58.730
LGA    K    38_A      K    38_A     1.388     0    0.048   0.828     5.205   81.548   65.926
LGA    L    39_A      L    39_A     1.258     0    0.045   1.027     2.653   81.429   74.286
LGA    R    40_A      R    40_A     1.567     0    0.033   1.033     5.765   79.286   59.697
LGA    Q    41_A      Q    41_A     1.272     0    0.039   1.288     4.780   81.429   71.323
LGA    Y    42_A      Y    42_A     0.749     0    0.033   0.374     1.369   92.857   91.349
LGA    A    43_A      A    43_A     0.758     0    0.031   0.039     0.867   90.476   90.476
LGA    S    44_A      S    44_A     0.696     0    0.086   0.649     2.679   90.476   84.921
LGA    T    45_A      T    45_A     0.533     0    0.083   1.135     2.131   97.619   87.211
LGA    Y    46_A      Y    46_A     0.400     0    0.015   0.192     0.979  100.000   95.238
LGA    N    47_A      N    47_A     0.417     0    0.056   0.697     2.383  100.000   93.214
LGA    K    48_A      K    48_A     0.604     0    0.050   0.703     2.457   90.476   85.608
LGA    Y    49_A      Y    49_A     0.679     0    0.086   0.327     1.524   83.810   93.016
LGA    K    50_A      K    50_A     1.681     0    0.053   1.080     5.266   65.952   63.016
LGA    Y    51_A      Y    51_A     4.412     0    0.256   0.461     6.323   32.619   32.381
LGA    Y    52_A      Y    52_A     5.104     0    0.033   0.160     7.551   19.524   20.476
LGA    S    53_A      S    53_A     9.325     0    0.453   0.432    12.490    3.690    2.460
LGA    G    54_A      G    54_A     6.746     0    0.284   0.284     7.071   12.500   12.500
LGA    S    55_A      S    55_A     7.654     0    0.096   0.126     9.053    5.357    5.556
LGA    A    56_A      A    56_A     9.448     0    0.735   0.668    10.500    3.452    2.762
LGA    S    57_A      S    57_A     6.559     0    0.583   0.629     8.708   22.262   16.508
LGA    E    58_A      E    58_A     1.532     0    0.586   1.154     9.685   73.214   40.688
LGA    A    59_A      A    59_A     1.498     0    0.111   0.110     1.812   79.286   78.000
LGA    D    60_A      D    60_A     1.126     0    0.283   0.969     3.065   85.952   75.655
LGA    Y    61_A      Y    61_A     1.655     0    0.033   0.153     1.974   77.143   77.897
LGA    R    62_A      R    62_A     1.676     0    0.061   1.382     9.516   77.143   48.571
LGA    L    63_A      L    63_A     0.673     0    0.017   1.107     3.322   90.476   83.393
LGA    A    64_A      A    64_A     0.445     0    0.068   0.082     0.592   95.238   94.286
LGA    C    65_A      C    65_A     0.575     0    0.073   0.104     0.785   92.857   92.063
LGA    F    66_A      F    66_A     0.694     0    0.047   0.460     2.285   90.476   84.935
LGA    A    67_A      A    67_A     0.578     0    0.027   0.036     0.605   90.476   92.381
LGA    H    68_A      H    68_A     0.590     0    0.013   0.833     4.060   90.476   72.000
LGA    L    69_A      L    69_A     0.652     0    0.046   1.125     2.453   90.476   84.048
LGA    A    70_A      A    70_A     0.758     0    0.047   0.048     0.778   90.476   90.476
LGA    K    71_A      K    71_A     0.402     0    0.023   0.895     1.890   97.619   89.894
LGA    A    72_A      A    72_A     0.419     0    0.050   0.050     0.477  100.000  100.000
LGA    M    73_A      M    73_A     0.666     0    0.032   0.611     2.080   90.476   86.190
LGA    M    74_A      M    74_A     0.656     0    0.024   0.676     2.186   90.476   85.000
LGA    D    75_A      D    75_A     0.411     0    0.054   0.257     1.140   97.619   95.298
LGA    Y    76_A      Y    76_A     0.523     0    0.027   0.138     0.768   92.857   92.063
LGA    A    77_A      A    77_A     0.523     0    0.122   0.122     0.915   90.476   92.381
LGA    S    78_A      S    78_A     0.586     0    0.109   0.131     0.742   90.476   90.476
LGA    N    79_A      N    79_A     0.540     0    0.660   0.928     4.329   78.095   67.976
LGA    H    80_A      H    80_A     0.368     0    0.104   0.750     3.819   95.238   78.571
LGA    N    81_A      N    81_A     0.255     0    0.051   1.129     2.440   97.619   87.619
LGA    D    82_A      D    82_A     0.500     0    0.087   0.445     1.307   95.238   91.726
LGA    T    83_A      T    83_A     0.573     0    0.022   1.008     2.287   90.476   84.286
LGA    L    84_A      L    84_A     0.671     0    0.063   1.094     3.707   90.476   82.321
LGA    Y    85_A      Y    85_A     0.571     0    0.030   0.075     0.632   90.476   96.032
LGA    T    86_A      T    86_A     0.596     0    0.039   0.092     0.690   95.238   93.197
LGA    P    87_A      P    87_A     0.434     0    0.057   0.244     0.805   95.238   94.558
LGA    P    88_A      P    88_A     1.062     0    0.123   0.309     1.743   88.214   85.374
LGA    T    89_A      T    89_A     0.883     0    0.094   1.156     3.379   90.476   81.020
LGA    V    90_A      V    90_A     1.581     0    0.046   0.202     2.673   81.548   73.265

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     2.150          2.142                  2.487           81.807   77.139

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     85    1.29    87.778    80.642     6.132

LGA_LOCAL      RMSD:   1.286  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.270  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   2.150  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.662954 * X  +   0.676314 * Y  +  -0.321080 * Z  + -13.981342
  Y_new =   0.734123 * X  +  -0.503153 * Y  +   0.455962 * Z  +  44.526581
  Z_new =   0.146821 * X  +  -0.537994 * Y  +  -0.830064 * Z  +  17.988291 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.836296 -0.147354 -2.566529   [DEG:   47.9162   -8.4427 -147.0513 ]
ZXZ: -2.528065  2.550019  2.875176   [DEG: -144.8475  146.1053  164.7354 ]
 
# END of job
