
#######################################################
#                                                     #
#                        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  105 (  799),  selected  105 , name one
# Molecule2: number of CA atoms  108 (  820),  selected  105 , 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:   105      18_A - 122_A       0.67     0.67
  LCS_AVERAGE:     97.22

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      18_A - 122_A       0.67     0.67
  LCS_AVERAGE:     97.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      18_A - 122_A       0.67     0.67
  LCS_AVERAGE:     97.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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    18_A     K    18_A    105  105  105      3    4   13   94  103  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    19_A     I    19_A    105  105  105     17  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    20_A     T    20_A    105  105  105     56  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    21_A     S    21_A    105  105  105     64  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    22_A     I    22_A    105  105  105     45  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    23_A     L    23_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    24_A     N    24_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     P    25_A     P    25_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    26_A     A    26_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    27_A     D    27_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    28_A     I    28_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    29_A     T    29_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    30_A     K    30_A    105  105  105     45  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    31_A     A    31_A    105  105  105     65  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    32_A     L    32_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    33_A     E    33_A    105  105  105     45  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     Q    34_A     Q    34_A    105  105  105      9  100  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     C    35_A     C    35_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    36_A     A    36_A    105  105  105      4   35  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    37_A     A    37_A    105  105  105      4    6   76  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    38_A     G    38_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    39_A     F    39_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     H    40_A     H    40_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     H    41_A     H    41_A    105  105  105     60  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    42_A     T    42_A    105  105  105     57  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    43_A     A    43_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    44_A     F    44_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    45_A     F    45_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    47_A     A    47_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    48_A     S    48_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    49_A     G    49_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    50_A     L    50_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    51_A     S    51_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    52_A     K    52_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    53_A     K    53_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    54_A     S    54_A    105  105  105     65  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    55_A     D    55_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    56_A     A    56_A    105  105  105     54  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    57_A     E    57_A    105  105  105     54  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    58_A     L    58_A    105  105  105     60  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    59_A     A    59_A    105  105  105     65  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    60_A     E    60_A    105  105  105     45  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    61_A     I    61_A    105  105  105     43  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    62_A     F    62_A    105  105  105     65  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    63_A     N    63_A    105  105  105     64  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V    64_A     V    64_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    65_A     L    65_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    66_A     D    66_A    105  105  105     57  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    67_A     G    67_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     Q    69_A     Q    69_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    70_A     S    70_A    105  105  105     57  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    71_A     G    71_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     Y    72_A     Y    72_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I    73_A     I    73_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    74_A     E    74_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V    75_A     V    75_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    76_A     E    76_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    77_A     E    77_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    78_A     L    78_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    79_A     K    79_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    80_A     N    80_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    81_A     F    81_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    82_A     L    82_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     C    84_A     C    84_A    105  105  105     66  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F    85_A     F    85_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    86_A     S    86_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A    105  105  105     53  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G    88_A     G    88_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A    89_A     A    89_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     R    90_A     R    90_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V    91_A     V    91_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L    92_A     L    92_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    93_A     N    93_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D    94_A     D    94_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K    95_A     K    95_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E    96_A     E    96_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     T    97_A     T    97_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S    98_A     S    98_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     N    99_A     N    99_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F   100_A     F   100_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     L   101_A     L   101_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A   102_A     A   102_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A   103_A     A   103_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G   104_A     G   104_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   105_A     D   105_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S   106_A     S   106_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G   108_A     G   108_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   109_A     D   109_A    105  105  105     57  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     H   110_A     H   110_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K   111_A     K   111_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     I   112_A     I   112_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     G   113_A     G   113_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     V   114_A     V   114_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     D   115_A     D   115_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     E   116_A     E   116_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     F   117_A     F   117_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     S   119_A     S   119_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     M   120_A     M   120_A    105  105  105     67  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     A   121_A     A   121_A    105  105  105     40  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_GDT     K   122_A     K   122_A    105  105  105     36  101  103  104  104  105  105  105  105  105  105  105  105  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  97.22  (  97.22   97.22   97.22 )

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     67    101    103    104    104    105    105    105    105    105    105    105    105    105    105    105    105    105    105    105 
GDT PERCENT_AT  62.04  93.52  95.37  96.30  96.30  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22  97.22
GDT RMS_LOCAL    0.35   0.51   0.55   0.60   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
GDT RMS_ALL_AT   0.71   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   0.67

# Checking swapping
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  E    76_A      E    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    18_A      K    18_A     3.183     0    0.637   0.601    14.369   65.238   32.487
LGA    I    19_A      I    19_A     1.071     0    0.173   0.920     2.660   84.167   78.690
LGA    T    20_A      T    20_A     0.961     0    0.059   0.079     2.170   90.476   81.769
LGA    S    21_A      S    21_A     0.530     0    0.084   0.169     1.322   90.595   89.048
LGA    I    22_A      I    22_A     0.572     0    0.051   0.121     2.186   97.619   86.369
LGA    L    23_A      L    23_A     0.507     0    0.031   0.029     0.858   92.857   91.667
LGA    N    24_A      N    24_A     0.505     0    0.041   1.086     3.826   95.238   78.690
LGA    P    25_A      P    25_A     0.607     0    0.007   0.077     0.675   90.476   91.837
LGA    A    26_A      A    26_A     0.557     0    0.056   0.062     0.608   95.238   94.286
LGA    D    27_A      D    27_A     0.534     0    0.039   0.111     0.624   90.476   91.667
LGA    I    28_A      I    28_A     0.401     0    0.021   0.066     0.543  100.000   97.619
LGA    T    29_A      T    29_A     0.316     0    0.055   0.063     0.502  100.000   98.639
LGA    K    30_A      K    30_A     0.652     0    0.043   1.072     4.297   92.857   80.106
LGA    A    31_A      A    31_A     0.541     0    0.026   0.026     0.616   95.238   94.286
LGA    L    32_A      L    32_A     0.203     0    0.033   0.045     0.593  100.000   98.810
LGA    E    33_A      E    33_A     0.658     0    0.023   0.933     3.301   92.857   79.683
LGA    Q    34_A      Q    34_A     1.176     0    0.014   1.158     2.483   85.952   79.788
LGA    C    35_A      C    35_A     0.631     0    0.096   0.784     1.698   90.595   87.619
LGA    A    36_A      A    36_A     1.793     0    0.035   0.042     2.699   71.310   70.000
LGA    A    37_A      A    37_A     2.352     0    0.279   0.287     3.345   61.071   60.286
LGA    G    38_A      G    38_A     0.218     0    0.067   0.067     0.646   97.619   97.619
LGA    F    39_A      F    39_A     0.199     0    0.020   0.088     0.452  100.000  100.000
LGA    H    40_A      H    40_A     0.123     0    0.038   0.063     0.312  100.000  100.000
LGA    H    41_A      H    41_A     0.442     0    0.047   0.370     2.227  100.000   85.571
LGA    T    42_A      T    42_A     0.534     0    0.029   1.111     2.856   95.238   85.918
LGA    A    43_A      A    43_A     0.402     0    0.017   0.029     0.463  100.000  100.000
LGA    F    44_A      F    44_A     0.158     0    0.038   0.064     0.542  100.000   99.134
LGA    F    45_A      F    45_A     0.189     0    0.042   0.715     2.912  100.000   88.701
LGA    K    46_A      K    46_A     0.329     0    0.071   0.097     0.951   97.619   94.709
LGA    A    47_A      A    47_A     0.435     0    0.021   0.043     0.571  100.000   98.095
LGA    S    48_A      S    48_A     0.395     0    0.022   0.052     0.395  100.000  100.000
LGA    G    49_A      G    49_A     0.386     0    0.025   0.025     0.442  100.000  100.000
LGA    L    50_A      L    50_A     0.356     0    0.029   0.084     0.542  100.000   97.619
LGA    S    51_A      S    51_A     0.285     0    0.164   0.178     0.820   97.619   95.238
LGA    K    52_A      K    52_A     0.443     0    0.059   0.693     4.371  100.000   79.894
LGA    K    53_A      K    53_A     0.320     0    0.008   0.674     2.482  100.000   92.169
LGA    S    54_A      S    54_A     0.361     0    0.030   0.117     0.448  100.000  100.000
LGA    D    55_A      D    55_A     0.767     0    0.113   0.788     3.700   92.857   75.417
LGA    A    56_A      A    56_A     0.560     0    0.052   0.050     0.605   90.476   90.476
LGA    E    57_A      E    57_A     0.553     0    0.019   1.054     4.316   90.476   80.952
LGA    L    58_A      L    58_A     0.494     0    0.029   0.193     0.733   97.619   95.238
LGA    A    59_A      A    59_A     0.417     0    0.014   0.016     0.463  100.000  100.000
LGA    E    60_A      E    60_A     0.610     0    0.021   0.620     3.743   92.857   75.238
LGA    I    61_A      I    61_A     0.698     0    0.030   0.601     2.137   90.476   87.262
LGA    F    62_A      F    62_A     0.432     0    0.026   0.093     0.520   97.619   99.134
LGA    N    63_A      N    63_A     0.442     0    0.021   0.190     1.082   97.619   92.917
LGA    V    64_A      V    64_A     0.781     0    0.063   1.194     3.869   90.476   82.449
LGA    L    65_A      L    65_A     0.749     0    0.066   0.058     0.982   90.476   90.476
LGA    D    66_A      D    66_A     0.635     0    0.051   0.133     0.717   92.857   95.238
LGA    G    67_A      G    67_A     0.747     0    0.017   0.017     0.934   90.476   90.476
LGA    D    68_A      D    68_A     1.006     0    0.092   0.199     1.162   88.214   84.821
LGA    Q    69_A      Q    69_A     0.825     0    0.066   1.046     2.989   90.476   78.148
LGA    S    70_A      S    70_A     0.643     0    0.019   0.103     0.984   92.857   92.063
LGA    G    71_A      G    71_A     0.261     0    0.059   0.059     0.463  100.000  100.000
LGA    Y    72_A      Y    72_A     0.438     0    0.028   0.151     0.981   95.238   93.651
LGA    I    73_A      I    73_A     0.371     0    0.014   0.041     0.476  100.000  100.000
LGA    E    74_A      E    74_A     0.275     0    0.064   0.147     1.209  100.000   93.704
LGA    V    75_A      V    75_A     0.234     0    0.047   0.068     0.358  100.000  100.000
LGA    E    76_A      E    76_A     0.292     0    0.046   1.094     4.383  100.000   80.476
LGA    E    77_A      E    77_A     0.260     0    0.039   0.120     0.515   97.619   98.942
LGA    L    78_A      L    78_A     0.222     0    0.026   1.312     2.624  100.000   87.917
LGA    K    79_A      K    79_A     0.313     0    0.043   0.358     1.545  100.000   94.921
LGA    N    80_A      N    80_A     0.385     0    0.015   0.159     1.083  100.000   94.107
LGA    F    81_A      F    81_A     0.247     0    0.027   0.067     0.465  100.000  100.000
LGA    L    82_A      L    82_A     0.540     0    0.047   0.092     0.653   95.238   92.857
LGA    K    83_A      K    83_A     0.604     0    0.013   0.640     2.140   90.476   87.619
LGA    C    84_A      C    84_A     0.724     0    0.051   0.048     0.907   90.476   90.476
LGA    F    85_A      F    85_A     0.586     0    0.030   0.058     0.719   90.476   94.805
LGA    S    86_A      S    86_A     0.698     0    0.053   0.087     0.752   90.476   93.651
LGA    D    87_A      D    87_A     0.956     0    0.047   1.114     4.225   90.476   76.250
LGA    G    88_A      G    88_A     0.648     0    0.066   0.066     0.807   90.476   90.476
LGA    A    89_A      A    89_A     0.554     0    0.064   0.062     0.613   92.857   92.381
LGA    R    90_A      R    90_A     0.554     0    0.041   0.125     0.554   92.857   97.403
LGA    V    91_A      V    91_A     0.373     0    0.056   0.076     0.580   95.238   95.918
LGA    L    92_A      L    92_A     0.465     0    0.038   0.057     0.479  100.000  100.000
LGA    N    93_A      N    93_A     0.531     0    0.023   0.128     0.595   90.476   92.857
LGA    D    94_A      D    94_A     0.498     0    0.051   0.108     0.684   95.238   94.048
LGA    K    95_A      K    95_A     0.515     0    0.028   0.102     0.586   90.476   93.651
LGA    E    96_A      E    96_A     0.542     0    0.018   0.073     0.556   90.476   95.767
LGA    T    97_A      T    97_A     0.493     0    0.030   0.090     0.654   97.619   94.558
LGA    S    98_A      S    98_A     0.293     0    0.040   0.703     1.994  100.000   95.476
LGA    N    99_A      N    99_A     0.460     0    0.030   0.041     0.516  100.000   96.429
LGA    F   100_A      F   100_A     0.573     0    0.025   0.462     1.514   90.476   88.052
LGA    L   101_A      L   101_A     0.481     0    0.042   0.066     0.520   97.619   97.619
LGA    A   102_A      A   102_A     0.399     0    0.023   0.026     0.455  100.000  100.000
LGA    A   103_A      A   103_A     0.514     0    0.069   0.074     0.531   95.238   94.286
LGA    G   104_A      G   104_A     0.752     0    0.040   0.040     0.752   90.476   90.476
LGA    D   105_A      D   105_A     0.472     0    0.026   0.260     0.930   95.238   95.238
LGA    S   106_A      S   106_A     0.422     0    0.023   0.082     0.615  100.000   98.413
LGA    D   107_A      D   107_A     0.409     0    0.092   0.153     0.973   97.619   94.048
LGA    G   108_A      G   108_A     0.368     0    0.100   0.100     0.495  100.000  100.000
LGA    D   109_A      D   109_A     0.574     0    0.076   0.199     1.014   90.595   91.726
LGA    H   110_A      H   110_A     0.677     0    0.063   0.360     1.699   95.238   87.952
LGA    K   111_A      K   111_A     0.335     0    0.055   0.114     0.553  100.000   98.942
LGA    I   112_A      I   112_A     0.368     0    0.042   0.617     2.613  100.000   94.643
LGA    G   113_A      G   113_A     0.299     0    0.032   0.032     0.457  100.000  100.000
LGA    V   114_A      V   114_A     0.208     0    0.045   0.069     0.619  100.000   98.639
LGA    D   115_A      D   115_A     0.148     0    0.025   0.168     0.789  100.000   97.619
LGA    E   116_A      E   116_A     0.157     0    0.032   0.150     0.353  100.000  100.000
LGA    F   117_A      F   117_A     0.227     0    0.037   0.097     0.550  100.000   98.268
LGA    K   118_A      K   118_A     0.316     0    0.038   0.621     1.357  100.000   93.757
LGA    S   119_A      S   119_A     0.372     0    0.034   0.640     1.960  100.000   95.476
LGA    M   120_A      M   120_A     0.562     0    0.153   1.099     2.291   92.857   85.119
LGA    A   121_A      A   121_A     0.629     0    0.063   0.066     0.648   90.476   90.476
LGA    K   122_A      K   122_A     0.696     0    0.660   1.019     2.643   82.143   83.757

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     799    799  100.00               108
SUMMARY(RMSD_GDC):     0.671          0.657                  1.285           92.133   88.714

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  105  108    4.0    105    0.67    96.065    96.666    13.610

LGA_LOCAL      RMSD:   0.671  Number of atoms:  105  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.671  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   0.671  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.882021 * X  +  -0.458837 * Y  +  -0.107276 * Z  +  -4.509445
  Y_new =   0.450639 * X  +   0.887897 * Y  +  -0.092536 * Z  +   2.630705
  Z_new =   0.137709 * X  +   0.033276 * Y  +   0.989914 * Z  +  19.211191 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.472343 -0.138148  0.033603   [DEG:   27.0632   -7.9153    1.9253 ]
ZXZ: -0.859031  0.142150  1.333699   [DEG:  -49.2188    8.1446   76.4153 ]
 
# END of job
