
#######################################################
#                                                     #
#                        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        1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       1_A - 53_A        0.98     1.59
  LCS_AVERAGE:     48.60

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     53   90   90     12   74   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     53   90   90     50   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     53   90   90     60   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     53   90   90     60   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     53   90   90     60   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     53   90   90     64   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     53   90   90     60   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     53   90   90     61   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     53   90   90     64   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     53   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     53   90   90     28   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     53   90   90      7   30   76   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     53   90   90      5   16   46   80   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     53   90   90      5   11   21   38   72   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     15   90   90      4   11   21   31   57   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     15   90   90      4   11   18   25   39   56   81   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      6   90   90      3    3    4   16   25   37   55   80   87   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      3    3    5   36   67   84   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   22   79   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   56   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     54   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     50   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     66   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     64   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     23   76   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      8   62   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  82.87  (  48.60  100.00  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     66     78     80     82     84     85     87     88     89     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  73.33  86.67  88.89  91.11  93.33  94.44  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.38   0.44   0.58   0.70   0.78   1.16   1.20   1.36   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54
GDT RMS_ALL_AT   1.68   1.71   1.70   1.65   1.65   1.63   1.55   1.55   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     1.573     0    0.225   0.895     2.509   75.476   80.952
LGA    L     2_A      L     2_A     0.857     0    0.030   1.163     3.230   88.214   80.952
LGA    F     3_A      F     3_A     0.798     0    0.092   0.121     1.253   90.476   85.541
LGA    E     4_A      E     4_A     0.628     0    0.148   0.581     1.851   90.476   90.635
LGA    G     5_A      G     5_A     1.452     0    0.027   0.027     1.452   81.429   81.429
LGA    D     6_A      D     6_A     1.446     0    0.033   0.170     2.078   81.429   76.131
LGA    K     7_A      K     7_A     1.198     0    0.020   0.738     3.276   85.952   79.947
LGA    F     8_A      F     8_A     0.895     0    0.020   0.095     0.994   90.476   92.208
LGA    V     9_A      V     9_A     0.564     0    0.037   0.091     0.728   92.857   94.558
LGA    G    10_A      G    10_A     0.209     0    0.042   0.042     0.541   97.619   97.619
LGA    S    11_A      S    11_A     0.358     0    0.025   0.042     0.460  100.000  100.000
LGA    F    12_A      F    12_A     0.359     0    0.033   0.081     0.525  100.000   99.134
LGA    E    13_A      E    13_A     0.893     0    0.016   0.813     3.217   88.214   79.048
LGA    N    14_A      N    14_A     0.928     0    0.012   0.171     1.149   88.214   88.214
LGA    A    15_A      A    15_A     0.555     0    0.086   0.102     0.630   95.238   96.190
LGA    A    16_A      A    16_A     0.415     0    0.032   0.042     0.626   95.238   94.286
LGA    A    17_A      A    17_A     0.798     0    0.054   0.052     1.039   88.214   88.667
LGA    G    18_A      G    18_A     0.716     0    0.063   0.063     0.858   90.476   90.476
LGA    T    19_A      T    19_A     0.582     0    0.020   0.118     0.644   90.476   91.837
LGA    F    20_A      F    20_A     0.481     0    0.019   0.146     0.594   95.238   96.537
LGA    V    21_A      V    21_A     0.473     0    0.009   0.037     0.706  100.000   95.918
LGA    L    22_A      L    22_A     0.255     0    0.024   0.071     0.421  100.000  100.000
LGA    D    23_A      D    23_A     0.359     0    0.044   0.075     0.828  100.000   96.429
LGA    M    24_A      M    24_A     0.422     0    0.053   0.258     1.112  100.000   95.298
LGA    Y    25_A      Y    25_A     0.432     0    0.009   0.119     0.905  100.000   94.444
LGA    A    26_A      A    26_A     0.287     0    0.034   0.051     0.395  100.000  100.000
LGA    Y    27_A      Y    27_A     0.177     0    0.032   0.279     1.114  100.000   93.730
LGA    E    28_A      E    28_A     0.467     0    0.013   0.473     1.757  100.000   88.783
LGA    R    29_A      R    29_A     0.498     0    0.011   1.448     4.003  100.000   81.688
LGA    L    30_A      L    30_A     0.342     0    0.049   0.075     0.763  100.000   97.619
LGA    A    31_A      A    31_A     0.344     0    0.040   0.052     0.368  100.000  100.000
LGA    N    32_A      N    32_A     0.327     0    0.079   0.400     1.183   97.619   95.298
LGA    S    33_A      S    33_A     0.172     0    0.099   0.110     0.311  100.000  100.000
LGA    I    34_A      I    34_A     0.190     0    0.046   0.150     0.614  100.000   98.810
LGA    S    35_A      S    35_A     0.149     0    0.040   0.058     0.185  100.000  100.000
LGA    T    36_A      T    36_A     0.241     0    0.017   0.038     0.442  100.000  100.000
LGA    E    37_A      E    37_A     0.576     0    0.014   1.475     5.088   97.619   71.852
LGA    K    38_A      K    38_A     0.322     0    0.018   0.786     4.374  100.000   84.339
LGA    L    39_A      L    39_A     0.362     0    0.031   0.122     0.555  100.000   98.810
LGA    R    40_A      R    40_A     0.493     0    0.020   0.473     1.097  100.000   93.117
LGA    Q    41_A      Q    41_A     0.429     0    0.014   0.418     1.367  100.000   96.878
LGA    Y    42_A      Y    42_A     0.424     0    0.019   0.126     0.832   95.238   96.032
LGA    A    43_A      A    43_A     0.547     0    0.014   0.018     0.595   90.476   90.476
LGA    S    44_A      S    44_A     0.484     0    0.056   0.080     0.618   95.238   96.825
LGA    T    45_A      T    45_A     0.382     0    0.061   0.105     0.426  100.000  100.000
LGA    Y    46_A      Y    46_A     0.499     0    0.020   0.057     0.548   92.857   97.619
LGA    N    47_A      N    47_A     0.549     0    0.044   0.065     0.774   95.238   92.857
LGA    K    48_A      K    48_A     0.480     0    0.011   0.701     2.642   95.238   91.005
LGA    Y    49_A      Y    49_A     0.589     0    0.153   0.213     1.285   88.214   92.103
LGA    K    50_A      K    50_A     0.812     0    0.056   0.123     1.758   83.810   87.513
LGA    Y    51_A      Y    51_A     2.091     0    0.094   0.130     2.804   67.024   61.706
LGA    Y    52_A      Y    52_A     2.865     0    0.170   0.140     6.007   55.476   41.468
LGA    S    53_A      S    53_A     4.383     0    0.225   0.667     6.880   32.262   29.921
LGA    G    54_A      G    54_A     4.723     0    0.087   0.087     5.070   31.548   31.548
LGA    S    55_A      S    55_A     6.237     0    0.357   0.816     9.537   16.310   13.175
LGA    A    56_A      A    56_A     7.162     0    0.629   0.565     7.823   15.476   13.810
LGA    S    57_A      S    57_A     5.221     0    0.636   0.718     8.390   35.952   26.984
LGA    E    58_A      E    58_A     2.999     0    0.645   1.411    11.327   62.857   31.164
LGA    A    59_A      A    59_A     2.140     0    0.094   0.107     2.452   70.952   69.714
LGA    D    60_A      D    60_A     0.656     0    0.282   0.959     2.760   90.476   78.810
LGA    Y    61_A      Y    61_A     1.036     0    0.032   0.184     1.115   85.952   86.706
LGA    R    62_A      R    62_A     1.109     0    0.025   1.174     7.093   85.952   56.970
LGA    L    63_A      L    63_A     0.736     0    0.033   1.019     3.135   90.476   83.214
LGA    A    64_A      A    64_A     0.595     0    0.015   0.023     0.635   90.476   90.476
LGA    C    65_A      C    65_A     0.622     0    0.033   0.082     0.659   90.476   90.476
LGA    F    66_A      F    66_A     0.556     0    0.026   0.073     0.753   90.476   90.476
LGA    A    67_A      A    67_A     0.435     0    0.021   0.028     0.502   97.619   98.095
LGA    H    68_A      H    68_A     0.425     0    0.019   0.061     0.449  100.000  100.000
LGA    L    69_A      L    69_A     0.362     0    0.029   0.058     0.453  100.000  100.000
LGA    A    70_A      A    70_A     0.309     0    0.010   0.015     0.395  100.000  100.000
LGA    K    71_A      K    71_A     0.326     0    0.025   0.422     1.706  100.000   95.926
LGA    A    72_A      A    72_A     0.270     0    0.050   0.059     0.346  100.000  100.000
LGA    M    73_A      M    73_A     0.387     0    0.022   0.075     0.551  100.000   97.619
LGA    M    74_A      M    74_A     0.315     0    0.072   0.815     2.535  100.000   93.452
LGA    D    75_A      D    75_A     0.134     0    0.010   0.075     0.460  100.000  100.000
LGA    Y    76_A      Y    76_A     0.223     0    0.027   0.109     0.858  100.000   96.032
LGA    A    77_A      A    77_A     0.376     0    0.026   0.024     0.598   97.619   98.095
LGA    S    78_A      S    78_A     0.499     0    0.080   0.618     2.008   97.619   90.952
LGA    N    79_A      N    79_A     0.440     0    0.014   0.189     0.492  100.000  100.000
LGA    H    80_A      H    80_A     0.443     0    0.029   0.692     2.159   97.619   88.190
LGA    N    81_A      N    81_A     0.470     0    0.021   1.087     2.466   97.619   91.012
LGA    D    82_A      D    82_A     0.322     0    0.008   0.105     0.583  100.000   98.810
LGA    T    83_A      T    83_A     0.485     0    0.069   0.975     2.586  100.000   89.864
LGA    L    84_A      L    84_A     0.412     0    0.081   0.084     1.225   97.619   92.917
LGA    Y    85_A      Y    85_A     0.432     0    0.037   0.078     0.629   97.619   93.651
LGA    T    86_A      T    86_A     0.464     0    0.037   0.983     2.782  100.000   88.639
LGA    P    87_A      P    87_A     0.481     0    0.045   0.127     0.796   95.238   94.558
LGA    P    88_A      P    88_A     0.937     0    0.072   0.228     1.310   92.857   90.544
LGA    T    89_A      T    89_A     0.879     0    0.022   0.342     2.764   90.476   84.422
LGA    V    90_A      V    90_A     1.602     0    0.127   0.267     3.636   71.071   64.218

# 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):     1.536          1.503                  1.856           89.804   86.171

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     88    1.20    93.889    96.355     6.754

LGA_LOCAL      RMSD:   1.203  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.555  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.536  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.830216 * X  +  -0.521406 * Y  +   0.197173 * Z  + -13.535263
  Y_new =  -0.407511 * X  +   0.326336 * Y  +  -0.852901 * Z  +  21.038960
  Z_new =   0.380363 * X  +  -0.788442 * Y  +  -0.483408 * Z  +  -0.720926 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.685292 -0.390189 -2.120806   [DEG: -153.8559  -22.3562 -121.5132 ]
ZXZ:  0.227188  2.075340  2.692105   [DEG:   13.0169  118.9082  154.2462 ]
 
# END of job
