
#######################################################
#                                                     #
#                        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       0.67     0.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.67     0.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.67     0.67
  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     62   94  101  104  104  104  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     62   94  101  104  104  104  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     66   94  101  104  104  104  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     64   94  101  104  104  104  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     66   94  101  104  104  104  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     59   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     65   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     57   94  101  104  104  104  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      6   76  101  104  104  104  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     59   94  101  104  104  104  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   37   80  104  104  104  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     25   93  101  104  104  104  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     37   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     59   94  101  104  104  104  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     44   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     62   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     56   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     26   94  101  104  104  104  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     24   94  101  104  104  104  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     23   94  101  104  104  104  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     56   94  101  104  104  104  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     56   94  101  104  104  104  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     26   94  101  104  104  104  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     26   94  101  104  104  104  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     66   94  101  104  104  104  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     62   94  101  104  104  104  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     35   94  101  104  104  104  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     39   94  101  104  104  104  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     62   94  101  104  104  104  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      5   53  101  104  104  104  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      5   53  101  104  104  104  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     66   94  101  104  104  104  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     62   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     66   94  101  104  104  104  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     44   94  101  104  104  104  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     22   91  101  104  104  104  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     23   91  101  104  104  104  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   94  101  104  104  104  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     15   91  101  104  104  104  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     15   83  101  104  104  104  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     58   94  101  104  104  104  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     31   94  101  104  104  104  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      4   40   85  104  104  104  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     66     94    101    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  63.46  90.38  97.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.51   0.60   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67
GDT RMS_ALL_AT   0.71   0.69   0.68   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67

# 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     0.515     4    0.046   0.057     0.689   95.238   52.381
LGA    E    18_A      E    18_A     0.342     4    0.011   0.011     0.462  100.000   55.556
LGA    E    19_A      E    19_A     0.534     4    0.171   0.183     0.697   97.619   53.439
LGA    M    20_A      M    20_A     0.635     0    0.025   0.711     2.603   90.476   85.179
LGA    N    21_A      N    21_A     0.642     0    0.108   1.018     4.520   90.476   75.714
LGA    K    22_A      K    22_A     0.750     0    0.010   0.422     2.465   90.476   84.656
LGA    V    23_A      V    23_A     0.620     0    0.036   0.054     0.966   95.238   93.197
LGA    H    24_A      H    24_A     0.307     0    0.066   0.162     1.025   97.619   94.333
LGA    N    25_A      N    25_A     0.388     0    0.092   0.334     2.213   97.619   89.702
LGA    I    26_A      I    26_A     0.402     0    0.014   0.074     0.551   97.619   97.619
LGA    K    27_A      K    27_A     0.380     0    0.063   0.861     5.075   97.619   75.926
LGA    C    28_A      C    28_A     0.252     0    0.096   0.169     0.864   97.619   96.825
LGA    H    29_A      H    29_A     0.361     0    0.028   1.130     2.479  100.000   89.190
LGA    F    30_A      F    30_A     0.652     0    0.015   0.044     1.185   90.476   87.186
LGA    D    31_A      D    31_A     0.813     0    0.069   0.749     2.218   85.952   79.524
LGA    N    32_A      N    32_A     1.400     0    0.090   0.490     2.088   85.952   78.393
LGA    C    33_A      C    33_A     0.687     0    0.517   0.536     2.732   82.143   84.921
LGA    N    34_A      N    34_A     2.083     0    0.041   0.118     3.539   70.833   60.476
LGA    R    35_A      R    35_A     1.052     0    0.091   1.014     3.813   90.595   70.433
LGA    K    36_A      K    36_A     0.665     0    0.026   0.741     1.681   90.476   87.513
LGA    I    37_A      I    37_A     0.221     0    0.052   0.646     2.260  100.000   95.595
LGA    H    38_A      H    38_A     0.563     0    0.114   0.902     2.540   90.595   79.381
LGA    W    39_A      W    39_A     0.558     0    0.050   0.137     0.721   90.476   93.197
LGA    K    40_A      K    40_A     0.528     0    0.028   0.105     0.600   90.476   90.476
LGA    I    41_A      I    41_A     0.485     0    0.043   0.099     0.590   97.619   98.810
LGA    R    42_A      R    42_A     0.774     0    0.103   0.774     2.963   90.476   74.502
LGA    Y    43_A      Y    43_A     0.874     0    0.061   0.215     2.958   92.857   76.905
LGA    G    44_A      G    44_A     0.488     0    0.015   0.015     0.597   97.619   97.619
LGA    K    45_A      K    45_A     0.308     0    0.011   0.650     3.142  100.000   91.323
LGA    L    46_A      L    46_A     0.323     0    0.015   0.101     0.423  100.000  100.000
LGA    R    47_A      R    47_A     0.392     0    0.025   1.024     2.231  100.000   86.840
LGA    L    48_A      L    48_A     0.303     0    0.010   0.105     0.648  100.000   98.810
LGA    V    49_A      V    49_A     0.238     0    0.041   0.060     0.402  100.000  100.000
LGA    D    50_A      D    50_A     0.441     0    0.016   0.726     2.755   97.619   86.548
LGA    H    51_A      H    51_A     0.217     0    0.022   0.306     1.237  100.000   94.381
LGA    A    52_A      A    52_A     0.377     0    0.010   0.022     0.464  100.000  100.000
LGA    L    53_A      L    53_A     0.341     0    0.054   0.100     0.793  100.000   96.429
LGA    S    54_A      S    54_A     0.320     0    0.028   0.040     0.377  100.000  100.000
LGA    H    55_A      H    55_A     0.434     0    0.027   0.128     0.959   97.619   93.333
LGA    Q    56_A      Q    56_A     0.401     0    0.021   0.689     3.249  100.000   83.439
LGA    E    57_A      E    57_A     0.412     4    0.059   0.075     0.522   97.619   54.497
LGA    E    58_A      E    58_A     0.325     4    0.110   0.118     0.888   95.238   53.439
LGA    K    59_A      K    59_A     0.405     0    0.043   0.493     1.944  100.000   95.926
LGA    S    60_A      S    60_A     0.461     0    0.015   0.183     0.601   95.238   95.238
LGA    I    61_A      I    61_A     0.533     0    0.076   0.638     1.282   95.238   90.595
LGA    D    62_A      D    62_A     0.365     0    0.040   0.112     0.518   97.619   98.810
LGA    C    63_A      C    63_A     0.254     0    0.078   0.109     0.588   97.619   98.413
LGA    Q    64_A      Q    64_A     0.374     0    0.071   1.013     3.177  100.000   89.259
LGA    K    65_A      K    65_A     0.078     0    0.119   0.291     1.830   97.619   91.746
LGA    C    66_A      C    66_A     0.234     0    0.076   0.166     0.553  100.000   98.413
LGA    E    67_A      E    67_A     0.476     4    0.157   0.149     0.834   97.619   53.439
LGA    Y    68_A      Y    68_A     0.389     0    0.071   0.162     0.608  100.000   96.825
LGA    S    69_A      S    69_A     0.448     0    0.054   0.678     2.359  100.000   94.127
LGA    C    70_A      C    70_A     0.432     0    0.047   0.103     0.661  100.000   96.825
LGA    Q    71_A      Q    71_A     0.576     0    0.025   0.464     2.214   95.238   86.720
LGA    T    72_A      T    72_A     0.290     0    0.056   0.090     0.829  100.000   95.918
LGA    T    73_A      T    73_A     0.218     0    0.007   0.071     0.555  100.000   98.639
LGA    R    74_A      R    74_A     0.556     0    0.024   1.401     7.263   97.619   69.827
LGA    Q    75_A      Q    75_A     0.458     0    0.040   0.229     1.290  100.000   94.762
LGA    M    76_A      M    76_A     0.177     0    0.037   0.093     0.451  100.000  100.000
LGA    R    77_A      R    77_A     0.303     0    0.018   1.235     4.866  100.000   82.597
LGA    Y    78_A      Y    78_A     0.435     0    0.022   0.128     1.201  100.000   93.690
LGA    H    79_A      H    79_A     0.341     0    0.058   0.071     0.408  100.000  100.000
LGA    Y    80_A      Y    80_A     0.124     0    0.050   0.065     0.580  100.000   99.206
LGA    K    81_A      K    81_A     0.533     0    0.059   0.923     5.734   92.857   74.127
LGA    K    82_A      K    82_A     0.623     0    0.017   0.715     3.139   97.619   82.487
LGA    I    83_A      I    83_A     0.427     0    0.007   0.070     0.642  100.000   98.810
LGA    H    84_A      H    84_A     0.099     0    0.056   0.067     0.381  100.000  100.000
LGA    A    85_A      A    85_A     0.364     0    0.011   0.018     0.614  100.000   98.095
LGA    N    86_A      N    86_A     0.544     3    0.093   0.100     0.844   97.619   60.119
LGA    L    87_A      L    87_A     0.392     0    0.025   1.091     2.725   95.238   86.905
LGA    K    88_A      K    88_A     1.056     0    0.011   0.780     2.581   83.690   77.831
LGA    M    89_A      M    89_A     1.115     0    0.129   0.335     1.365   81.429   84.881
LGA    E    90_A      E    90_A     1.084     0    0.097   0.570     2.883   81.429   73.228
LGA    G    91_A      G    91_A     0.851     0    0.185   0.185     0.881   90.476   90.476
LGA    F    92_A      F    92_A     0.736     0    0.036   0.057     0.918   90.476   93.074
LGA    G    93_A      G    93_A     0.893     0    0.026   0.026     0.893   90.476   90.476
LGA    I    94_A      I    94_A     0.903     0    0.039   1.146     2.988   90.476   80.774
LGA    L    95_A      L    95_A     0.408     0    0.108   0.128     1.084   97.619   92.917
LGA    N    96_A      N    96_A     0.466     0    0.072   1.057     2.478   92.976   88.690
LGA    I    97_A      I    97_A     0.690     0    0.039   0.106     0.823   90.476   90.476
LGA    P    98_A      P    98_A     0.588     0    0.088   0.094     0.713   95.238   93.197
LGA    L    99_A      L    99_A     0.467     0    0.133   0.130     0.618   95.238   97.619
LGA    Q   100_A      Q   100_A     1.330     0    0.385   0.609     4.296   81.429   65.820
LGA    N   101_A      N   101_A     1.573     0    0.128   0.833     4.285   79.405   66.845
LGA    T   102_A      T   102_A     0.317     0    0.040   1.069     3.001   97.619   86.258
LGA    K   103_A      K   103_A     0.629     0    0.032   0.944     3.064   92.857   82.328
LGA    F   104_A      F   104_A     0.365     0    0.018   0.080     0.947  100.000   95.671
LGA    S   105_A      S   105_A     0.372     0    0.013   0.696     2.313  100.000   94.127
LGA    D   106_A      D   106_A     0.568     0    0.034   0.136     0.625   90.476   90.476
LGA    V   107_A      V   107_A     0.434     0    0.028   0.967     2.227   97.619   89.728
LGA    W   108_A      W   108_A     0.408     0    0.027   0.058     0.452  100.000  100.000
LGA    N   109_A      N   109_A     0.548     0    0.019   0.763     3.140   90.476   81.012
LGA    K   110_A      K   110_A     0.434     0    0.030   1.235     5.619   97.619   73.915
LGA    C   111_A      C   111_A     0.412     0    0.046   0.056     0.595  100.000   96.825
LGA    F   112_A      F   112_A     0.663     0    0.045   0.093     0.921   90.476   91.342
LGA    G   113_A      G   113_A     1.098     0    0.022   0.022     1.424   83.690   83.690
LGA    D   114_A      D   114_A     1.120     3    0.116   0.131     1.120   85.952   53.155
LGA    Q   115_A      Q   115_A     0.845     0    0.093   0.093     1.063   88.214   89.471
LGA    L   116_A      L   116_A     1.106     0    0.065   1.070     2.940   83.690   76.369
LGA    K   117_A      K   117_A     1.231     0    0.020   0.796     5.173   81.429   63.862
LGA    T   118_A      T   118_A     0.566     0    0.042   0.070     0.739   90.476   94.558
LGA    I   119_A      I   119_A     0.775     0    0.187   1.251     3.477   83.810   78.750
LGA    G   120_A      G   120_A     1.998     0    0.092   0.092     2.669   69.048   69.048

# 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):     0.674          0.685                  1.289           94.266   85.924

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.67    97.596    99.026    13.438

LGA_LOCAL      RMSD:   0.674  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.674  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.674  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.881567 * X  +  -0.276843 * Y  +  -0.382358 * Z  +  -1.064112
  Y_new =  -0.078929 * X  +  -0.885021 * Y  +   0.458811 * Z  +   2.469540
  Z_new =  -0.465414 * X  +  -0.374293 * Y  +  -0.802056 * Z  +  -0.854056 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.089295  0.484102 -2.704965   [DEG:   -5.1162   27.7370 -154.9831 ]
ZXZ: -2.446834  2.501527 -2.248103   [DEG: -140.1933  143.3269 -128.8068 ]
 
# END of job
