
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:   104      17_A - 120_A       0.97     0.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.97     0.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.97     0.97
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A    104  104  104     14   58   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    18_A     E    18_A    104  104  104     26   70   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    19_A     E    19_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    20_A     M    20_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    21_A     N    21_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    22_A     K    22_A    104  104  104     17   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    23_A     V    23_A    104  104  104     26   76   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    24_A     H    24_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    25_A     N    25_A    104  104  104     30   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    26_A     I    26_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    27_A     K    27_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    28_A     C    28_A    104  104  104     35   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    29_A     H    29_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    30_A     F    30_A    104  104  104     26   73   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    31_A     D    31_A    104  104  104     26   73   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    32_A     N    32_A    104  104  104      3   37   90  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    33_A     C    33_A    104  104  104     26   73   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    34_A     N    34_A    104  104  104      3   41   96  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    35_A     R    35_A    104  104  104     26   73   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    36_A     K    36_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    37_A     I    37_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    38_A     H    38_A    104  104  104     26   78   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W    39_A     W    39_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    40_A     K    40_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    41_A     I    41_A    104  104  104     30   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    42_A     R    42_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    43_A     Y    43_A    104  104  104     16   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    44_A     G    44_A    104  104  104     35   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    45_A     K    45_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    46_A     L    46_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    47_A     R    47_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    48_A     L    48_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    49_A     V    49_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    50_A     D    50_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    51_A     H    51_A    104  104  104     35   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    52_A     A    52_A    104  104  104     29   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    53_A     L    53_A    104  104  104     36   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A    104  104  104     35   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    55_A     H    55_A    104  104  104     25   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    56_A     Q    56_A    104  104  104     25   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    58_A     E    58_A    104  104  104     23   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    59_A     K    59_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    60_A     S    60_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    62_A     D    62_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    63_A     C    63_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    64_A     Q    64_A    104  104  104     33   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    65_A     K    65_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    66_A     C    66_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    67_A     E    67_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    68_A     Y    68_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    69_A     S    69_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    70_A     C    70_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    71_A     Q    71_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    72_A     T    72_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    73_A     T    73_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    74_A     R    74_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    75_A     Q    75_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    76_A     M    76_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    77_A     R    77_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    78_A     Y    78_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    79_A     H    79_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    80_A     Y    80_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    81_A     K    81_A    104  104  104     33   79   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    82_A     K    82_A    104  104  104     36   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    83_A     I    83_A    104  104  104     36   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    84_A     H    84_A    104  104  104     36   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    85_A     A    85_A    104  104  104     24   72   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    86_A     N    86_A    104  104  104     17   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    87_A     L    87_A    104  104  104     17   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    88_A     K    88_A    104  104  104      8   78   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    89_A     M    89_A    104  104  104      5   78   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    90_A     E    90_A    104  104  104     17   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    91_A     G    91_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    92_A     F    92_A    104  104  104     30   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    93_A     G    93_A    104  104  104      8   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    94_A     I    94_A    104  104  104     14   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    95_A     L    95_A    104  104  104     33   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    96_A     N    96_A    104  104  104     33   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    97_A     I    97_A    104  104  104      8   78   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     P    98_A     P    98_A    104  104  104     14   69   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    99_A     L    99_A    104  104  104      9   78   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   100_A     Q   100_A    104  104  104      3    5   14   45   74  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   101_A     N   101_A    104  104  104      3    5   14   40   69  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   102_A     T   102_A    104  104  104      3   74   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   103_A     K   103_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   104_A     F   104_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   105_A     S   105_A    104  104  104     36   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   106_A     D   106_A    104  104  104     35   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V   107_A     V   107_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W   108_A     W   108_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   109_A     N   109_A    104  104  104     24   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   110_A     K   110_A    104  104  104     24   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C   111_A     C   111_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   112_A     F   112_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A    104  104  104     26   78   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   114_A     D   114_A    104  104  104     26   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   115_A     Q   115_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L   116_A     L   116_A    104  104  104     17   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   117_A     K   117_A    104  104  104      7   72   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   118_A     T   118_A    104  104  104     37   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I   119_A     I   119_A    104  104  104     17   80   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   120_A     G   120_A    104  104  104     24   72   99  102  102  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     37     80     99    102    102    103    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  35.58  76.92  95.19  98.08  98.08  99.04 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.65   0.80   0.85   0.85   0.91   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97
GDT RMS_ALL_AT   1.09   0.99   0.98   0.98   0.98   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F   104_A      F   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     1.817     4    0.044   0.043     2.140   75.000   40.529
LGA    E    18_A      E    18_A     1.596     4    0.014   0.015     1.754   77.143   42.381
LGA    E    19_A      E    19_A     1.049     4    0.162   0.175     1.273   81.429   45.238
LGA    M    20_A      M    20_A     0.867     0    0.025   0.729     2.880   90.476   84.107
LGA    N    21_A      N    21_A     0.977     0    0.113   0.865     2.954   83.690   77.500
LGA    K    22_A      K    22_A     0.890     0    0.026   0.474     2.678   85.952   81.746
LGA    V    23_A      V    23_A     1.077     0    0.080   0.097     1.509   83.690   81.497
LGA    H    24_A      H    24_A     0.760     0    0.029   0.159     0.947   90.476   90.476
LGA    N    25_A      N    25_A     0.382     0    0.103   0.202     1.536   97.619   91.845
LGA    I    26_A      I    26_A     0.158     0    0.015   0.103     0.416  100.000  100.000
LGA    K    27_A      K    27_A     0.192     0    0.057   0.866     5.155  100.000   76.349
LGA    C    28_A      C    28_A     0.688     0    0.099   0.172     1.415   88.333   87.540
LGA    H    29_A      H    29_A     1.035     0    0.019   0.248     1.303   83.690   85.048
LGA    F    30_A      F    30_A     1.319     0    0.020   0.067     1.830   81.429   76.753
LGA    D    31_A      D    31_A     1.474     0    0.063   0.702     1.895   77.143   78.274
LGA    N    32_A      N    32_A     1.933     0    0.079   0.461     2.716   72.857   66.905
LGA    C    33_A      C    33_A     1.364     0    0.525   0.540     3.420   73.571   76.190
LGA    N    34_A      N    34_A     1.579     0    0.036   0.184     2.623   77.143   69.048
LGA    R    35_A      R    35_A     1.222     0    0.079   1.318     6.869   88.214   57.792
LGA    K    36_A      K    36_A     0.799     0    0.010   0.716     1.571   88.214   85.503
LGA    I    37_A      I    37_A     0.681     0    0.053   0.676     3.092   90.476   85.417
LGA    H    38_A      H    38_A     1.003     0    0.085   0.345     1.781   81.548   84.190
LGA    W    39_A      W    39_A     0.931     0    0.081   0.164     1.000   90.476   91.837
LGA    K    40_A      K    40_A     0.796     0    0.030   0.111     1.558   90.476   86.508
LGA    I    41_A      I    41_A     0.520     0    0.043   0.080     0.660   92.857   95.238
LGA    R    42_A      R    42_A     0.636     0    0.035   1.206     5.352   90.476   72.597
LGA    Y    43_A      Y    43_A     0.864     0    0.073   0.182     2.723   90.476   76.111
LGA    G    44_A      G    44_A     0.453     0    0.006   0.006     0.654   97.619   97.619
LGA    K    45_A      K    45_A     0.314     0    0.027   0.659     2.945  100.000   92.116
LGA    L    46_A      L    46_A     0.305     0    0.009   0.119     0.787  100.000   98.810
LGA    R    47_A      R    47_A     0.608     0    0.020   0.996     2.766   92.857   81.861
LGA    L    48_A      L    48_A     0.511     0    0.012   0.089     0.995   95.238   92.857
LGA    V    49_A      V    49_A     0.233     0    0.065   0.079     0.498  100.000  100.000
LGA    D    50_A      D    50_A     0.308     0    0.046   0.275     1.158  100.000   92.976
LGA    H    51_A      H    51_A     0.589     0    0.021   0.315     2.111   92.857   83.524
LGA    A    52_A      A    52_A     0.725     0    0.025   0.038     0.731   90.476   90.476
LGA    L    53_A      L    53_A     0.356     0    0.042   0.052     0.649  100.000   97.619
LGA    S    54_A      S    54_A     0.603     0    0.018   0.044     0.691   92.857   92.063
LGA    H    55_A      H    55_A     0.828     0    0.059   0.159     1.762   90.476   82.476
LGA    Q    56_A      Q    56_A     0.626     0    0.075   0.666     1.699   95.238   87.619
LGA    E    57_A      E    57_A     0.517     4    0.062   0.083     0.805   92.857   51.323
LGA    E    58_A      E    58_A     0.834     4    0.076   0.083     1.214   92.857   50.317
LGA    K    59_A      K    59_A     0.557     0    0.107   0.534     2.698   90.476   88.889
LGA    S    60_A      S    60_A     0.859     0    0.027   0.213     1.848   90.476   86.032
LGA    I    61_A      I    61_A     0.306     0    0.071   0.660     1.895   97.619   94.226
LGA    D    62_A      D    62_A     0.634     0    0.037   0.261     1.225   90.476   89.345
LGA    C    63_A      C    63_A     0.307     0    0.085   0.107     0.845   97.619   96.825
LGA    Q    64_A      Q    64_A     0.702     0    0.048   1.012     2.388   92.857   85.714
LGA    K    65_A      K    65_A     0.410     0    0.116   0.267     2.230   92.976   86.772
LGA    C    66_A      C    66_A     0.508     0    0.077   0.182     0.859   92.857   92.063
LGA    E    67_A      E    67_A     0.534     4    0.096   0.090     1.163   90.595   51.376
LGA    Y    68_A      Y    68_A     0.621     0    0.077   0.149     0.966   90.476   90.476
LGA    S    69_A      S    69_A     0.561     0    0.045   0.092     0.733   90.476   90.476
LGA    C    70_A      C    70_A     0.545     0    0.061   0.143     0.561   95.238   93.651
LGA    Q    71_A      Q    71_A     0.356     0    0.074   0.245     1.845   95.238   89.630
LGA    T    72_A      T    72_A     0.491     0    0.036   0.064     0.801   95.238   93.197
LGA    T    73_A      T    73_A     0.522     0    0.023   0.088     0.547   95.238   94.558
LGA    R    74_A      R    74_A     0.407     0    0.022   1.407     7.081  100.000   71.212
LGA    Q    75_A      Q    75_A     0.308     0    0.045   0.624     2.116   97.619   92.910
LGA    M    76_A      M    76_A     0.330     0    0.035   0.127     0.585  100.000   98.810
LGA    R    77_A      R    77_A     0.635     0    0.033   1.118     7.290   92.857   62.987
LGA    Y    78_A      Y    78_A     0.730     0    0.047   0.074     1.036   90.476   88.968
LGA    H    79_A      H    79_A     0.462     0    0.055   0.088     0.653   97.619   96.190
LGA    Y    80_A      Y    80_A     0.713     0    0.028   0.639     3.776   92.857   77.421
LGA    K    81_A      K    81_A     1.089     0    0.073   0.918     3.294   83.690   77.090
LGA    K    82_A      K    82_A     0.986     0    0.020   0.905     6.927   90.476   63.492
LGA    I    83_A      I    83_A     0.775     0    0.018   0.053     0.864   90.476   90.476
LGA    H    84_A      H    84_A     0.928     0    0.088   0.086     1.057   85.952   89.619
LGA    A    85_A      A    85_A     1.358     0    0.016   0.016     1.443   81.429   81.429
LGA    N    86_A      N    86_A     0.907     3    0.109   0.114     1.115   90.476   55.417
LGA    L    87_A      L    87_A     0.989     0    0.087   1.107     3.511   83.690   75.000
LGA    K    88_A      K    88_A     1.148     0    0.038   0.806     5.163   81.429   69.788
LGA    M    89_A      M    89_A     1.059     0    0.127   0.898     2.408   81.429   76.131
LGA    E    90_A      E    90_A     0.755     0    0.082   0.600     1.419   95.238   90.582
LGA    G    91_A      G    91_A     0.317     0    0.126   0.126     0.442  100.000  100.000
LGA    F    92_A      F    92_A     0.582     0    0.039   0.080     0.872   90.476   95.671
LGA    G    93_A      G    93_A     0.940     0    0.022   0.022     0.951   90.476   90.476
LGA    I    94_A      I    94_A     1.054     0    0.061   1.274     2.743   85.952   76.488
LGA    L    95_A      L    95_A     0.421     0    0.029   0.080     1.170   97.619   92.917
LGA    N    96_A      N    96_A     0.503     0    0.088   1.085     3.041   90.595   85.536
LGA    I    97_A      I    97_A     1.041     0    0.039   0.093     1.183   85.952   84.821
LGA    P    98_A      P    98_A     1.327     0    0.063   0.060     1.551   81.429   78.980
LGA    L    99_A      L    99_A     1.020     0    0.166   0.212     1.630   79.286   86.071
LGA    Q   100_A      Q   100_A     3.417     0    0.421   0.530     7.759   53.571   33.598
LGA    N   101_A      N   101_A     3.445     0    0.185   1.264     4.530   55.714   48.036
LGA    T   102_A      T   102_A     1.168     0    0.047   1.077     3.355   88.571   76.531
LGA    K   103_A      K   103_A     0.964     0    0.057   0.982     2.585   90.476   80.847
LGA    F   104_A      F   104_A     0.652     0    0.030   0.064     0.840   95.238   97.403
LGA    S   105_A      S   105_A     0.232     0    0.011   0.050     0.681  100.000   98.413
LGA    D   106_A      D   106_A     0.532     0    0.042   0.174     0.834   92.857   92.857
LGA    V   107_A      V   107_A     0.668     0    0.028   0.929     2.345   90.476   83.129
LGA    W   108_A      W   108_A     0.468     0    0.029   0.117     0.576   92.857   97.959
LGA    N   109_A      N   109_A     0.799     0    0.018   0.753     3.682   88.214   76.071
LGA    K   110_A      K   110_A     0.998     0    0.028   1.238     5.467   90.476   68.360
LGA    C   111_A      C   111_A     0.863     0    0.049   0.066     0.919   90.476   90.476
LGA    F   112_A      F   112_A     0.935     0    0.010   0.046     1.165   90.476   87.186
LGA    G   113_A      G   113_A     1.158     0    0.036   0.036     1.252   81.429   81.429
LGA    D   114_A      D   114_A     0.937     3    0.118   0.123     0.937   90.476   56.548
LGA    Q   115_A      Q   115_A     0.710     0    0.085   0.211     1.188   90.476   89.471
LGA    L   116_A      L   116_A     0.961     0    0.073   1.037     3.053   85.952   78.690
LGA    K   117_A      K   117_A     1.198     0    0.019   0.788     4.793   81.429   66.032
LGA    T   118_A      T   118_A     0.735     0    0.013   0.035     0.787   90.476   90.476
LGA    I   119_A      I   119_A     0.776     0    0.152   0.143     1.301   88.214   85.952
LGA    G   120_A      G   120_A     1.313     0    0.145   0.145     1.869   79.286   79.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     0.971          0.969                  1.576           89.410   81.815

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.97    93.750    97.499     9.711

LGA_LOCAL      RMSD:   0.971  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.971  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.971  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.874509 * X  +  -0.394374 * Y  +  -0.282319 * Z  +  -0.520139
  Y_new =  -0.195228 * X  +  -0.819079 * Y  +   0.539441 * Z  +   2.140091
  Z_new =  -0.443983 * X  +  -0.416629 * Y  +  -0.793284 * Z  +  -4.454566 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.219642  0.460039 -2.657993   [DEG:  -12.5845   26.3583 -152.2918 ]
ZXZ: -2.659436  2.486980 -2.324421   [DEG: -152.3745  142.4935 -133.1795 ]
 
# END of job
