
#######################################################
#                                                     #
#                        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       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.70     0.70
  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     42   94  100  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     64   94  100  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     64   94  100  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  100  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     64   94  100  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     61   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     24   94  100  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     19   91  100  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      8   62  100  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     19   94  100  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     24   41   99  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     24   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     61   94  100  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     64   94  100  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     64   94  100  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     56   94  100  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     56   94  100  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     64   94  100  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     64   94  100  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     41   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     60   94  100  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     44   94  100  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     64   94  100  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     31   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     59   94  100  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     64   94  100  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     59   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     55   94  100  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     41   94  100  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     59   94  100  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     61   94  100  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     64   94  100  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     64   94  100  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     59   94  100  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     64   94  100  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     27   92  100  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     19   64  100  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     55   94  100  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     64   94  100  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     29   94  100  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     46   94  100  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     46   94  100  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      4   14   92  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      4   14   79  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     27   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     64   94  100  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     56   94  100  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   94  100  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   94  100  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     25   94  100  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   90  100  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   89  100  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     43   94  100  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     25   94  100  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      5   65   99  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     64     94    100    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  61.54  90.38  96.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.52   0.60   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70
GDT RMS_ALL_AT   0.72   0.71   0.71   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70

# 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     0.725     4    0.031   0.040     0.943   95.238   52.381
LGA    E    18_A      E    18_A     0.367     4    0.013   0.013     0.445  100.000   55.556
LGA    E    19_A      E    19_A     0.465     4    0.177   0.190     0.743  100.000   54.497
LGA    M    20_A      M    20_A     0.371     0    0.028   0.696     2.461  100.000   92.024
LGA    N    21_A      N    21_A     0.426     0    0.101   0.896     3.715  100.000   82.917
LGA    K    22_A      K    22_A     0.595     0    0.009   0.403     2.295   92.857   85.714
LGA    V    23_A      V    23_A     0.444     0    0.025   0.062     0.787   97.619   94.558
LGA    H    24_A      H    24_A     0.061     0    0.070   0.159     0.840   97.619   97.143
LGA    N    25_A      N    25_A     0.442     0    0.077   0.153     1.617   97.619   90.714
LGA    I    26_A      I    26_A     0.423     0    0.014   0.077     0.640   97.619   97.619
LGA    K    27_A      K    27_A     0.297     0    0.053   0.854     4.903  100.000   77.566
LGA    C    28_A      C    28_A     0.330     0    0.105   0.170     0.985   95.238   95.238
LGA    H    29_A      H    29_A     0.532     0    0.013   1.135     2.253   92.857   84.571
LGA    F    30_A      F    30_A     0.867     0    0.023   0.046     1.463   90.476   85.541
LGA    D    31_A      D    31_A     1.233     0    0.039   0.298     2.747   81.429   77.321
LGA    N    32_A      N    32_A     1.584     0    0.079   0.296     2.348   79.286   74.048
LGA    C    33_A      C    33_A     1.008     0    0.515   0.538     3.210   73.571   77.698
LGA    N    34_A      N    34_A     1.602     0    0.050   0.108     2.615   77.143   69.048
LGA    R    35_A      R    35_A     0.792     0    0.078   1.371     7.355   95.238   62.554
LGA    K    36_A      K    36_A     0.451     0    0.026   0.760     1.397   97.619   90.635
LGA    I    37_A      I    37_A     0.207     0    0.044   0.630     2.139  100.000   95.595
LGA    H    38_A      H    38_A     0.292     0    0.108   0.883     2.390   97.619   83.048
LGA    W    39_A      W    39_A     0.327     0    0.061   0.143     0.689   97.619   95.238
LGA    K    40_A      K    40_A     0.302     0    0.026   0.087     0.374  100.000  100.000
LGA    I    41_A      I    41_A     0.312     0    0.036   0.082     0.397  100.000  100.000
LGA    R    42_A      R    42_A     0.483     0    0.043   1.152     6.082   95.238   71.039
LGA    Y    43_A      Y    43_A     0.582     0    0.054   0.130     2.228   95.238   83.254
LGA    G    44_A      G    44_A     0.379     0    0.020   0.020     0.531   97.619   97.619
LGA    K    45_A      K    45_A     0.453     0    0.030   0.666     3.267  100.000   89.206
LGA    L    46_A      L    46_A     0.561     0    0.012   0.108     0.958   90.476   90.476
LGA    R    47_A      R    47_A     0.606     0    0.023   0.993     2.951   95.238   79.740
LGA    L    48_A      L    48_A     0.409     0    0.009   0.118     0.783  100.000   97.619
LGA    V    49_A      V    49_A     0.446     0    0.036   0.059     0.713   95.238   94.558
LGA    D    50_A      D    50_A     0.669     0    0.023   0.688     2.843   90.476   81.905
LGA    H    51_A      H    51_A     0.293     0    0.024   0.476     1.434  100.000   94.381
LGA    A    52_A      A    52_A     0.464     0    0.013   0.022     0.582  100.000   98.095
LGA    L    53_A      L    53_A     0.445     0    0.033   0.088     0.836  100.000   95.238
LGA    S    54_A      S    54_A     0.263     0    0.025   0.054     0.324  100.000  100.000
LGA    H    55_A      H    55_A     0.590     0    0.025   0.156     1.048   92.857   90.524
LGA    Q    56_A      Q    56_A     0.818     0    0.049   0.638     1.775   95.238   85.661
LGA    E    57_A      E    57_A     0.307     4    0.106   0.125     0.645  100.000   54.497
LGA    E    58_A      E    58_A     0.608     4    0.067   0.072     0.987   92.857   51.323
LGA    K    59_A      K    59_A     0.320     0    0.061   0.517     2.382   95.238   92.910
LGA    S    60_A      S    60_A     0.430     0    0.011   0.197     1.206  100.000   95.317
LGA    I    61_A      I    61_A     0.377     0    0.072   0.651     1.707  100.000   95.417
LGA    D    62_A      D    62_A     0.616     0    0.045   0.123     0.790   90.476   90.476
LGA    C    63_A      C    63_A     0.462     0    0.088   0.112     0.952   95.238   96.825
LGA    Q    64_A      Q    64_A     0.839     0    0.054   0.941     2.455   90.476   85.661
LGA    K    65_A      K    65_A     0.408     0    0.097   0.283     2.380   95.238   88.836
LGA    C    66_A      C    66_A     0.438     0    0.066   0.148     0.581   97.619   98.413
LGA    E    67_A      E    67_A     0.489     4    0.105   0.099     1.033   92.976   52.434
LGA    Y    68_A      Y    68_A     0.407     0    0.067   0.139     0.493  100.000  100.000
LGA    S    69_A      S    69_A     0.426     0    0.040   0.065     0.563  100.000   96.825
LGA    C    70_A      C    70_A     0.154     0    0.043   0.118     0.307  100.000  100.000
LGA    Q    71_A      Q    71_A     0.262     0    0.025   0.297     2.011  100.000   89.841
LGA    T    72_A      T    72_A     0.476     0    0.057   0.088     0.808  100.000   95.918
LGA    T    73_A      T    73_A     0.363     0    0.018   0.103     0.729  100.000   97.279
LGA    R    74_A      R    74_A     0.347     0    0.022   1.418     6.795  100.000   74.286
LGA    Q    75_A      Q    75_A     0.318     0    0.042   0.260     1.312  100.000   96.878
LGA    M    76_A      M    76_A     0.233     0    0.037   0.098     0.414  100.000  100.000
LGA    R    77_A      R    77_A     0.194     0    0.018   1.120     5.372  100.000   81.645
LGA    Y    78_A      Y    78_A     0.144     0    0.026   0.096     0.342  100.000  100.000
LGA    H    79_A      H    79_A     0.163     0    0.043   0.106     0.241  100.000  100.000
LGA    Y    80_A      Y    80_A     0.267     0    0.043   0.094     0.370  100.000  100.000
LGA    K    81_A      K    81_A     0.274     0    0.061   0.986     3.972  100.000   80.265
LGA    K    82_A      K    82_A     0.329     0    0.014   0.203     0.948  100.000   98.942
LGA    I    83_A      I    83_A     0.377     0    0.015   0.051     0.402  100.000  100.000
LGA    H    84_A      H    84_A     0.424     0    0.061   0.085     0.602   97.619   96.190
LGA    A    85_A      A    85_A     0.621     0    0.011   0.017     0.849   92.857   92.381
LGA    N    86_A      N    86_A     0.913     3    0.088   0.096     1.194   90.476   55.417
LGA    L    87_A      L    87_A     0.743     0    0.024   1.122     3.274   90.476   80.357
LGA    K    88_A      K    88_A     0.572     0    0.012   0.731     4.043   92.857   81.746
LGA    M    89_A      M    89_A     0.385     0    0.128   0.341     0.876   95.238   94.048
LGA    E    90_A      E    90_A     0.520     0    0.087   0.607     1.850   92.857   86.614
LGA    G    91_A      G    91_A     0.615     0    0.153   0.153     0.615   95.238   95.238
LGA    F    92_A      F    92_A     0.492     0    0.048   0.064     0.803   92.857   97.403
LGA    G    93_A      G    93_A     1.143     0    0.017   0.017     1.180   83.690   83.690
LGA    I    94_A      I    94_A     1.386     0    0.028   1.182     3.381   81.429   75.357
LGA    L    95_A      L    95_A     0.632     0    0.057   0.120     1.366   92.857   88.274
LGA    N    96_A      N    96_A     0.498     0    0.072   1.002     2.508   92.976   86.548
LGA    I    97_A      I    97_A     1.045     0    0.031   0.099     1.260   88.214   85.952
LGA    P    98_A      P    98_A     0.938     0    0.168   0.164     1.099   92.857   87.959
LGA    L    99_A      L    99_A     0.686     0    0.121   0.168     1.022   88.214   89.405
LGA    Q   100_A      Q   100_A     1.924     0    0.413   0.580     4.922   77.143   58.571
LGA    N   101_A      N   101_A     2.282     0    0.142   0.819     4.092   68.810   61.429
LGA    T   102_A      T   102_A     0.965     0    0.046   1.067     3.447   88.214   78.639
LGA    K   103_A      K   103_A     0.219     0    0.055   0.933     2.690  100.000   89.418
LGA    F   104_A      F   104_A     0.351     0    0.010   0.079     0.885  100.000   94.805
LGA    S   105_A      S   105_A     0.465     0    0.009   0.704     2.842  100.000   91.270
LGA    D   106_A      D   106_A     0.402     0    0.044   0.156     0.835   97.619   95.238
LGA    V   107_A      V   107_A     0.272     0    0.027   0.941     2.086  100.000   91.088
LGA    W   108_A      W   108_A     0.329     0    0.019   0.123     0.465  100.000  100.000
LGA    N   109_A      N   109_A     0.461     0    0.021   0.738     3.492   97.619   82.560
LGA    K   110_A      K   110_A     0.425     0    0.023   1.205     5.563  100.000   74.127
LGA    C   111_A      C   111_A     0.480     0    0.051   0.077     0.663  100.000   96.825
LGA    F   112_A      F   112_A     0.687     0    0.056   0.090     0.877   90.476   90.476
LGA    G   113_A      G   113_A     0.946     0    0.025   0.025     1.311   85.952   85.952
LGA    D   114_A      D   114_A     0.923     3    0.132   0.147     0.923   90.476   56.548
LGA    Q   115_A      Q   115_A     0.804     0    0.088   0.098     1.000   90.476   90.476
LGA    L   116_A      L   116_A     1.090     0    0.069   1.072     2.969   83.690   77.381
LGA    K   117_A      K   117_A     1.274     0    0.035   0.784     4.888   81.429   65.079
LGA    T   118_A      T   118_A     0.745     0    0.050   0.082     0.838   90.476   91.837
LGA    I   119_A      I   119_A     0.817     0    0.194   1.251     3.659   83.810   77.917
LGA    G   120_A      G   120_A     1.780     0    0.127   0.127     2.462   70.952   70.952

# 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):     0.703          0.707                  1.323           94.349   85.882

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.70    97.596    98.954    12.944

LGA_LOCAL      RMSD:   0.703  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.703  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.703  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.872276 * X  +  -0.211931 * Y  +  -0.440704 * Z  +   0.467425
  Y_new =   0.310293 * X  +  -0.456674 * Y  +   0.833767 * Z  +   3.394874
  Z_new =  -0.377959 * X  +  -0.864022 * Y  +  -0.332585 * Z  +  -2.618586 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.341768  0.387590 -1.938241   [DEG:   19.5819   22.2073 -111.0531 ]
ZXZ: -2.655352  1.909840 -2.729232   [DEG: -152.1404  109.4258 -156.3735 ]
 
# END of job
