
#######################################################
#                                                     #
#                        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     51   93  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     49   93  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     50   93  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     50   93  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     50   93  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   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     46   93  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     45   93  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     11   78  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     45   93  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   40   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     23   85  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     27   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     45   93  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     45   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     47   93  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     49   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     50   93  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     51   93  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     48   93  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     51   93  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     51   93  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     51   93  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     47   93  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     51   93  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     50   93  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     43   93  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     43   93  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     51   93  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     47   93  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     47   93  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     51   93  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     51   93  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     43   93  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     31   93  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     51   93  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     51   93  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     47   93  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     44   93  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     43   93  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     25   78  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     25   78  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     21   78  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     10   93  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     43   93  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     24   93  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     24   93  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     47   93  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     42   93  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     31   93  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     46   93  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     49   93  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      6   79  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     14   79  100  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     51   93  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     47   93  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     50   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     51   93  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     25   93  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     38   93  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     44   93  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     23   93  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     23   84  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     47   93  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     19   93  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     12   54   97  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     51     93    101    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  49.04  89.42  97.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.57   0.67   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   0.78   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     0.499     4    0.041   0.054     0.604   95.238   52.381
LGA    E    18_A      E    18_A     0.467     4    0.012   0.011     0.583   95.238   52.381
LGA    E    19_A      E    19_A     0.715     4    0.169   0.182     0.869   92.857   51.323
LGA    M    20_A      M    20_A     0.821     0    0.018   0.714     2.589   90.476   82.917
LGA    N    21_A      N    21_A     0.834     0    0.108   0.987     4.656   90.476   74.762
LGA    K    22_A      K    22_A     0.906     0    0.010   0.412     2.420   90.476   83.651
LGA    V    23_A      V    23_A     0.732     0    0.027   0.045     1.184   92.857   89.252
LGA    H    24_A      H    24_A     0.338     0    0.072   0.160     0.859   97.619   96.190
LGA    N    25_A      N    25_A     0.410     0    0.110   0.245     1.835   95.238   89.524
LGA    I    26_A      I    26_A     0.445     0    0.015   0.090     0.587   95.238   96.429
LGA    K    27_A      K    27_A     0.439     0    0.060   0.873     5.095   95.238   73.810
LGA    C    28_A      C    28_A     0.160     0    0.108   0.174     0.940   97.619   98.413
LGA    H    29_A      H    29_A     0.388     0    0.025   1.136     2.296   95.238   84.571
LGA    F    30_A      F    30_A     0.670     0    0.011   0.048     1.273   90.476   86.364
LGA    D    31_A      D    31_A     0.757     0    0.069   0.739     2.188   88.214   81.667
LGA    N    32_A      N    32_A     1.288     0    0.093   0.465     1.903   85.952   79.405
LGA    C    33_A      C    33_A     0.663     0    0.516   0.533     2.656   82.143   84.921
LGA    N    34_A      N    34_A     2.197     0    0.034   0.111     3.825   68.810   56.905
LGA    R    35_A      R    35_A     1.202     0    0.101   0.688     3.812   85.952   64.113
LGA    K    36_A      K    36_A     0.824     0    0.040   0.746     1.753   88.214   85.503
LGA    I    37_A      I    37_A     0.360     0    0.056   0.637     2.123  100.000   95.595
LGA    H    38_A      H    38_A     0.691     0    0.118   0.867     2.761   90.595   78.619
LGA    W    39_A      W    39_A     0.625     0    0.042   0.128     0.743   90.476   92.517
LGA    K    40_A      K    40_A     0.598     0    0.027   0.129     0.861   90.476   90.476
LGA    I    41_A      I    41_A     0.560     0    0.047   0.121     0.684   90.476   90.476
LGA    R    42_A      R    42_A     0.916     0    0.105   0.747     2.630   90.476   73.680
LGA    Y    43_A      Y    43_A     0.874     0    0.057   0.201     2.774   92.857   78.373
LGA    G    44_A      G    44_A     0.505     0    0.015   0.015     0.625   95.238   95.238
LGA    K    45_A      K    45_A     0.253     0    0.011   0.613     3.049  100.000   91.323
LGA    L    46_A      L    46_A     0.274     0    0.022   0.097     0.424  100.000  100.000
LGA    R    47_A      R    47_A     0.359     0    0.023   1.312     2.906  100.000   84.632
LGA    L    48_A      L    48_A     0.225     0    0.009   0.103     0.540  100.000   98.810
LGA    V    49_A      V    49_A     0.184     0    0.034   0.067     0.416  100.000  100.000
LGA    D    50_A      D    50_A     0.399     0    0.019   0.726     2.720   97.619   86.548
LGA    H    51_A      H    51_A     0.166     0    0.022   0.329     1.312  100.000   93.476
LGA    A    52_A      A    52_A     0.371     0    0.032   0.043     0.461  100.000  100.000
LGA    L    53_A      L    53_A     0.203     0    0.032   0.123     0.563  100.000   97.619
LGA    S    54_A      S    54_A     0.252     0    0.016   0.040     0.307  100.000  100.000
LGA    H    55_A      H    55_A     0.453     0    0.017   0.171     1.050   97.619   92.429
LGA    Q    56_A      Q    56_A     0.530     0    0.040   0.662     1.779   97.619   89.683
LGA    E    57_A      E    57_A     0.504     4    0.046   0.061     0.565   95.238   52.381
LGA    E    58_A      E    58_A     0.355     4    0.104   0.114     0.978   95.238   53.439
LGA    K    59_A      K    59_A     0.527     0    0.031   0.507     2.297   92.857   88.677
LGA    S    60_A      S    60_A     0.492     0    0.041   0.067     0.531   95.238   96.825
LGA    I    61_A      I    61_A     0.566     0    0.069   0.638     1.306   95.238   90.595
LGA    D    62_A      D    62_A     0.378     0    0.039   0.129     0.578  100.000   98.810
LGA    C    63_A      C    63_A     0.235     0    0.054   0.074     0.392  100.000  100.000
LGA    Q    64_A      Q    64_A     0.283     0    0.076   0.985     3.460   97.619   89.206
LGA    K    65_A      K    65_A     0.343     0    0.110   0.315     1.788   97.619   90.688
LGA    C    66_A      C    66_A     0.459     0    0.052   0.129     0.680   97.619   96.825
LGA    E    67_A      E    67_A     0.760     4    0.114   0.108     1.149   90.476   49.259
LGA    Y    68_A      Y    68_A     0.573     0    0.079   0.175     0.806   95.238   92.063
LGA    S    69_A      S    69_A     0.615     0    0.053   0.681     2.620   90.476   84.921
LGA    C    70_A      C    70_A     0.575     0    0.045   0.097     0.613   90.476   90.476
LGA    Q    71_A      Q    71_A     0.697     0    0.018   0.438     2.412   95.238   86.720
LGA    T    72_A      T    72_A     0.404     0    0.052   0.083     0.968  100.000   95.918
LGA    T    73_A      T    73_A     0.337     0    0.007   0.055     0.682  100.000   97.279
LGA    R    74_A      R    74_A     0.780     0    0.028   1.263     6.989   90.476   65.368
LGA    Q    75_A      Q    75_A     0.639     0    0.030   0.184     1.406   92.857   90.529
LGA    M    76_A      M    76_A     0.253     0    0.035   0.095     0.436  100.000  100.000
LGA    R    77_A      R    77_A     0.495     0    0.022   1.246     4.826   95.238   79.307
LGA    Y    78_A      Y    78_A     0.673     0    0.026   0.042     1.335   90.476   86.706
LGA    H    79_A      H    79_A     0.478     0    0.049   0.095     0.671   97.619   96.190
LGA    Y    80_A      Y    80_A     0.230     0    0.048   0.052     0.682  100.000   96.825
LGA    K    81_A      K    81_A     0.767     0    0.070   0.920     6.028   90.476   70.899
LGA    K    82_A      K    82_A     0.907     0    0.018   0.975     4.821   90.476   73.598
LGA    I    83_A      I    83_A     0.592     0    0.005   0.062     0.893   95.238   92.857
LGA    H    84_A      H    84_A     0.133     0    0.060   0.076     0.575  100.000   98.095
LGA    A    85_A      A    85_A     0.531     0    0.013   0.017     0.817   90.476   90.476
LGA    N    86_A      N    86_A     0.679     3    0.086   0.094     0.903   90.476   56.548
LGA    L    87_A      L    87_A     0.659     0    0.028   1.104     2.769   88.214   81.964
LGA    K    88_A      K    88_A     1.380     0    0.008   0.768     2.278   81.429   74.868
LGA    M    89_A      M    89_A     1.349     0    0.122   0.324     1.511   81.429   82.619
LGA    E    90_A      E    90_A     1.399     0    0.100   0.590     3.203   79.286   67.989
LGA    G    91_A      G    91_A     1.068     0    0.169   0.169     1.109   83.690   83.690
LGA    F    92_A      F    92_A     0.831     0    0.035   0.062     1.037   88.214   92.251
LGA    G    93_A      G    93_A     0.980     0    0.022   0.022     0.983   90.476   90.476
LGA    I    94_A      I    94_A     0.977     0    0.035   1.152     2.951   90.476   80.774
LGA    L    95_A      L    95_A     0.491     0    0.086   0.110     1.064   95.238   91.726
LGA    N    96_A      N    96_A     0.563     0    0.099   0.997     2.275   90.595   87.500
LGA    I    97_A      I    97_A     0.705     0    0.035   0.130     0.853   90.476   90.476
LGA    P    98_A      P    98_A     0.509     0    0.075   0.082     0.609   95.238   93.197
LGA    L    99_A      L    99_A     0.417     0    0.131   0.185     0.537   95.238   97.619
LGA    Q   100_A      Q   100_A     1.257     0    0.353   0.307     2.942   81.429   71.429
LGA    N   101_A      N   101_A     1.568     0    0.088   0.243     2.619   81.667   76.369
LGA    T   102_A      T   102_A     0.094     0    0.030   1.052     2.563   97.619   87.483
LGA    K   103_A      K   103_A     0.746     0    0.031   0.961     2.656   90.476   83.069
LGA    F   104_A      F   104_A     0.538     0    0.014   0.100     0.657   95.238   95.671
LGA    S   105_A      S   105_A     0.359     0    0.031   0.078     0.431  100.000  100.000
LGA    D   106_A      D   106_A     0.593     0    0.030   0.135     0.646   90.476   94.048
LGA    V   107_A      V   107_A     0.479     0    0.021   0.958     2.244   97.619   89.728
LGA    W   108_A      W   108_A     0.370     0    0.027   0.053     0.424  100.000  100.000
LGA    N   109_A      N   109_A     0.535     0    0.011   0.760     2.995   92.857   83.095
LGA    K   110_A      K   110_A     0.469     0    0.030   1.246     5.518   97.619   74.550
LGA    C   111_A      C   111_A     0.454     0    0.045   0.061     0.584  100.000   96.825
LGA    F   112_A      F   112_A     0.578     0    0.014   0.062     0.825   90.476   90.476
LGA    G   113_A      G   113_A     0.957     0    0.043   0.043     1.118   88.214   88.214
LGA    D   114_A      D   114_A     0.960     3    0.085   0.092     0.960   90.476   56.548
LGA    Q   115_A      Q   115_A     0.759     0    0.081   0.090     0.960   90.476   90.476
LGA    L   116_A      L   116_A     1.009     0    0.059   1.069     2.769   83.690   77.381
LGA    K   117_A      K   117_A     1.280     0    0.023   0.787     5.093   81.429   64.497
LGA    T   118_A      T   118_A     0.648     0    0.026   0.064     0.792   90.476   91.837
LGA    I   119_A      I   119_A     0.813     0    0.127   0.140     1.404   85.952   83.690
LGA    G   120_A      G   120_A     1.707     0    0.106   0.106     2.311   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):     0.730          0.734                  1.300           92.755   84.874

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.73    97.356    98.950    12.531

LGA_LOCAL      RMSD:   0.730  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.730  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.730  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.182552 * X  +  -0.529765 * Y  +   0.828265 * Z  +   1.031231
  Y_new =   0.832875 * X  +  -0.531001 * Y  +  -0.156065 * Z  +   4.850245
  Z_new =   0.522488 * X  +   0.661352 * Y  +   0.538164 * Z  +  -3.616574 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.786567 -0.549766  0.887737   [DEG:  102.3628  -31.4993   50.8636 ]
ZXZ:  1.384556  1.002539  0.668632   [DEG:   79.3292   57.4413   38.3098 ]
 
# END of job
