
#######################################################
#                                                     #
#                        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       0.73     0.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.73     0.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.73     0.73
  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     31   92  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     37   92  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     39   92  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     60   92  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     37   92  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     39   92  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     60   92  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     60   92  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     60   92  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     58   92  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     58   92  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     60   92  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     60   92  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     39   92  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     39   92  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      4   34  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     39   92  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   27   93  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     13   80  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     13   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     56   92  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     60   92  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     60   92  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     60   92  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     60   92  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     39   92  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     30   92  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     60   92  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     56   92  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     60   92  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     60   92  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     60   92  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     58   92  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     60   92  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     59   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     47   92  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     59   92  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     59   92  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     60   92  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     60   92  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     48   92  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     57   92  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     20   90  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     18   68  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     37   92  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     54   92  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     18   92  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     37   92  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     53   92  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   74  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   40   96  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     37   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     60   92  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     40   92  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      3   34  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      3   50  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     23   92  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     24   92  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      6   81  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     37   92  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     30   92  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     24   81  101  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     60     92    101    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  57.69  88.46  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    0.33   0.53   0.65   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73
GDT RMS_ALL_AT   0.76   0.74   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73

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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     1.026     4    0.036   0.046     1.314   88.214   48.254
LGA    E    18_A      E    18_A     0.954     4    0.013   0.014     1.103   90.476   49.259
LGA    E    19_A      E    19_A     0.685     4    0.179   0.192     0.824   95.238   52.381
LGA    M    20_A      M    20_A     0.480     0    0.026   0.688     2.451   97.619   90.833
LGA    N    21_A      N    21_A     0.679     0    0.107   0.993     4.214   90.476   77.381
LGA    K    22_A      K    22_A     0.770     0    0.012   0.393     2.315   90.476   84.656
LGA    V    23_A      V    23_A     0.541     0    0.034   0.062     0.896   95.238   93.197
LGA    H    24_A      H    24_A     0.098     0    0.054   0.142     0.980   97.619   96.190
LGA    N    25_A      N    25_A     0.439     0    0.098   0.185     1.745   95.238   89.524
LGA    I    26_A      I    26_A     0.495     0    0.017   0.065     0.625   95.238   95.238
LGA    K    27_A      K    27_A     0.478     0    0.059   0.865     4.879   97.619   75.450
LGA    C    28_A      C    28_A     0.231     0    0.099   0.179     0.926   97.619   98.413
LGA    H    29_A      H    29_A     0.533     0    0.020   0.455     1.157   92.857   89.619
LGA    F    30_A      F    30_A     0.788     0    0.020   0.034     1.517   90.476   84.762
LGA    D    31_A      D    31_A     1.002     0    0.041   0.279     2.382   83.690   79.405
LGA    N    32_A      N    32_A     1.529     0    0.085   0.289     2.289   79.286   74.048
LGA    C    33_A      C    33_A     0.876     0    0.520   0.534     2.778   82.143   84.921
LGA    N    34_A      N    34_A     2.182     0    0.035   0.126     3.757   68.810   57.738
LGA    R    35_A      R    35_A     1.173     0    0.092   1.157     7.879   85.952   54.372
LGA    K    36_A      K    36_A     0.779     0    0.035   0.759     1.805   90.476   86.508
LGA    I    37_A      I    37_A     0.188     0    0.057   0.641     2.198  100.000   95.595
LGA    H    38_A      H    38_A     0.351     0    0.109   0.851     2.271   97.619   82.952
LGA    W    39_A      W    39_A     0.397     0    0.082   0.164     0.827   97.619   95.238
LGA    K    40_A      K    40_A     0.414     0    0.023   0.100     0.561  100.000   97.884
LGA    I    41_A      I    41_A     0.368     0    0.036   0.094     0.443  100.000  100.000
LGA    R    42_A      R    42_A     0.512     0    0.112   0.749     3.601   92.857   69.394
LGA    Y    43_A      Y    43_A     0.552     0    0.050   0.129     1.926   95.238   84.643
LGA    G    44_A      G    44_A     0.432     0    0.013   0.013     0.551   97.619   97.619
LGA    K    45_A      K    45_A     0.433     0    0.016   0.629     2.784  100.000   88.995
LGA    L    46_A      L    46_A     0.484     0    0.015   0.123     0.807   97.619   94.048
LGA    R    47_A      R    47_A     0.480     0    0.022   0.997     2.901  100.000   81.472
LGA    L    48_A      L    48_A     0.369     0    0.008   0.132     0.713  100.000   98.810
LGA    V    49_A      V    49_A     0.442     0    0.029   0.055     0.724   97.619   95.918
LGA    D    50_A      D    50_A     0.590     0    0.032   0.689     2.739   92.857   83.095
LGA    H    51_A      H    51_A     0.268     0    0.026   0.465     1.531  100.000   91.714
LGA    A    52_A      A    52_A     0.547     0    0.022   0.032     0.653   92.857   92.381
LGA    L    53_A      L    53_A     0.416     0    0.030   0.091     0.786  100.000   96.429
LGA    S    54_A      S    54_A     0.285     0    0.033   0.052     0.382  100.000  100.000
LGA    H    55_A      H    55_A     0.688     0    0.024   0.167     1.083   90.595   89.619
LGA    Q    56_A      Q    56_A     0.882     0    0.055   0.639     1.752   95.238   86.667
LGA    E    57_A      E    57_A     0.227     4    0.096   0.115     0.503  100.000   54.497
LGA    E    58_A      E    58_A     0.521     4    0.083   0.092     0.855   95.238   52.381
LGA    K    59_A      K    59_A     0.312     0    0.063   0.512     2.417   97.619   92.910
LGA    S    60_A      S    60_A     0.271     0    0.015   0.181     0.922  100.000   98.413
LGA    I    61_A      I    61_A     0.447     0    0.070   0.641     1.535  100.000   95.417
LGA    D    62_A      D    62_A     0.603     0    0.039   0.103     0.776   90.476   90.476
LGA    C    63_A      C    63_A     0.433     0    0.075   0.105     0.937   95.238   96.825
LGA    Q    64_A      Q    64_A     0.737     0    0.066   0.951     2.671   90.476   85.767
LGA    K    65_A      K    65_A     0.384     0    0.109   0.285     2.296   95.238   88.836
LGA    C    66_A      C    66_A     0.427     0    0.066   0.158     0.555   97.619   98.413
LGA    E    67_A      E    67_A     0.470     4    0.123   0.116     1.143   92.976   52.434
LGA    Y    68_A      Y    68_A     0.406     0    0.081   0.159     0.526   97.619   98.413
LGA    S    69_A      S    69_A     0.392     0    0.059   0.657     1.860  100.000   95.476
LGA    C    70_A      C    70_A     0.115     0    0.050   0.107     0.317  100.000  100.000
LGA    Q    71_A      Q    71_A     0.407     0    0.020   0.326     2.098  100.000   89.841
LGA    T    72_A      T    72_A     0.390     0    0.050   0.080     0.786  100.000   95.918
LGA    T    73_A      T    73_A     0.329     0    0.016   0.097     0.646  100.000   98.639
LGA    R    74_A      R    74_A     0.403     0    0.022   1.417     6.997  100.000   73.074
LGA    Q    75_A      Q    75_A     0.329     0    0.042   0.235     1.165  100.000   96.878
LGA    M    76_A      M    76_A     0.278     0    0.029   0.087     0.412  100.000  100.000
LGA    R    77_A      R    77_A     0.221     0    0.020   1.126     5.269  100.000   83.074
LGA    Y    78_A      Y    78_A     0.141     0    0.027   0.105     0.413  100.000  100.000
LGA    H    79_A      H    79_A     0.198     0    0.052   0.065     0.268  100.000  100.000
LGA    Y    80_A      Y    80_A     0.243     0    0.037   0.076     0.333  100.000  100.000
LGA    K    81_A      K    81_A     0.208     0    0.051   0.932     4.358  100.000   84.339
LGA    K    82_A      K    82_A     0.247     0    0.015   0.200     1.028  100.000   95.820
LGA    I    83_A      I    83_A     0.189     0    0.011   0.050     0.248  100.000  100.000
LGA    H    84_A      H    84_A     0.271     0    0.066   0.074     0.452  100.000  100.000
LGA    A    85_A      A    85_A     0.443     0    0.018   0.018     0.631   97.619   96.190
LGA    N    86_A      N    86_A     0.885     3    0.094   0.101     1.261   92.857   56.607
LGA    L    87_A      L    87_A     0.701     0    0.024   1.126     3.188   90.476   80.357
LGA    K    88_A      K    88_A     0.546     0    0.009   0.710     3.872   95.238   84.392
LGA    M    89_A      M    89_A     0.362     0    0.121   0.335     0.775  100.000   96.429
LGA    E    90_A      E    90_A     0.500     0    0.091   0.608     1.966   92.857   86.614
LGA    G    91_A      G    91_A     0.810     0    0.155   0.155     0.810   95.238   95.238
LGA    F    92_A      F    92_A     0.548     0    0.052   0.088     0.835   90.476   93.939
LGA    G    93_A      G    93_A     1.198     0    0.019   0.019     1.231   81.429   81.429
LGA    I    94_A      I    94_A     1.425     0    0.030   1.187     3.402   81.429   75.357
LGA    L    95_A      L    95_A     0.830     0    0.095   0.178     1.682   90.476   83.810
LGA    N    96_A      N    96_A     0.579     0    0.067   1.023     2.331   88.214   85.119
LGA    I    97_A      I    97_A     0.980     0    0.025   0.112     1.226   90.476   87.083
LGA    P    98_A      P    98_A     0.848     0    0.131   0.129     0.998   92.857   91.837
LGA    L    99_A      L    99_A     0.632     0    0.113   0.121     0.886   90.476   91.667
LGA    Q   100_A      Q   100_A     1.454     0    0.377   0.355     3.639   81.429   66.508
LGA    N   101_A      N   101_A     1.983     0    0.097   0.517     3.269   75.119   70.179
LGA    T   102_A      T   102_A     0.682     0    0.043   1.051     3.082   92.857   81.293
LGA    K   103_A      K   103_A     0.354     0    0.047   0.947     2.710  100.000   88.360
LGA    F   104_A      F   104_A     0.332     0    0.017   0.075     0.650  100.000   96.537
LGA    S   105_A      S   105_A     0.309     0    0.023   0.713     2.676  100.000   92.857
LGA    D   106_A      D   106_A     0.413     0    0.042   0.135     0.633   97.619   95.238
LGA    V   107_A      V   107_A     0.332     0    0.023   0.938     2.069  100.000   91.088
LGA    W   108_A      W   108_A     0.343     0    0.022   0.069     0.643  100.000   97.279
LGA    N   109_A      N   109_A     0.562     0    0.012   0.753     3.504   92.857   78.393
LGA    K   110_A      K   110_A     0.520     0    0.026   1.205     5.454   95.238   71.481
LGA    C   111_A      C   111_A     0.451     0    0.066   0.115     0.692  100.000   96.825
LGA    F   112_A      F   112_A     0.620     0    0.154   0.192     1.708   83.810   82.381
LGA    G   113_A      G   113_A     1.785     0    0.300   0.300     1.785   83.810   83.810
LGA    D   114_A      D   114_A     1.367     3    0.195   0.210     1.812   81.429   49.821
LGA    Q   115_A      Q   115_A     0.930     0    0.160   0.140     1.315   88.214   89.471
LGA    L   116_A      L   116_A     1.013     0    0.050   1.056     2.652   83.690   77.381
LGA    K   117_A      K   117_A     1.321     0    0.014   0.817     5.502   81.429   63.333
LGA    T   118_A      T   118_A     0.785     0    0.023   0.048     0.954   90.476   90.476
LGA    I   119_A      I   119_A     0.746     0    0.094   0.096     1.121   88.214   88.214
LGA    G   120_A      G   120_A     1.460     0    0.106   0.106     1.867   77.143   77.143

# 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):     0.727          0.713                  1.319           93.927   85.737

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.73    97.115    98.874    12.573

LGA_LOCAL      RMSD:   0.727  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.727  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.727  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.795998 * X  +   0.521248 * Y  +  -0.307714 * Z  +   0.320874
  Y_new =  -0.052790 * X  +   0.566211 * Y  +   0.822568 * Z  +   2.851898
  Z_new =   0.602993 * X  +  -0.638518 * Y  +   0.478219 * Z  +  -2.356106 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.066222 -0.647248 -0.927966   [DEG:   -3.7942  -37.0846  -53.1686 ]
ZXZ: -2.783620  1.072170  2.384801   [DEG: -159.4897   61.4308  136.6390 ]
 
# END of job
