
#######################################################
#                                                     #
#                        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  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , 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:   103      13_A - 115_A       0.72     0.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.72     0.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.72     0.72
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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     G    13_A     G    13_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A    103  103  103     72   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A    103  103  103     71   93  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A    103  103  103     66   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A    103  103  103     29   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A    103  103  103      9   49  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A    103  103  103     32   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A    103  103  103     72   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A    103  103  103     71   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A    103  103  103     35   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A    103  103  103     49   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A    103  103  103      8   14   99  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A    103  103  103     73   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A    103  103  103     59   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A    103  103  103     70   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A    103  103  103     50   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A    103  103  103     49   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A    103  103  103     32   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A    103  103  103     12   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A    103  103  103     50   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A    103  103  103     48   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A    103  103  103     29   92  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A    103  103  103     59   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A    103  103  103      4   86  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A    103  103  103     23   93  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A    103  103  103      3    4   33   52  101  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A    103  103  103      4   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A    103  103  103     73   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A    103  103  103     74   95  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A    103  103  103     29   93  100  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
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     74     95    100    102    102    103    103    103    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  71.84  92.23  97.09  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.26   0.47   0.53   0.59   0.59   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72
GDT RMS_ALL_AT   0.75   0.72   0.73   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72

# Checking swapping
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     0.425     0    0.156   0.156     1.586   90.833   90.833
LGA    W    14_A      W    14_A     0.310     0    0.036   0.042     0.545   97.619   99.320
LGA    Q    15_A      Q    15_A     0.280     0    0.012   1.076     2.407  100.000   92.169
LGA    K    16_A      K    16_A     0.435     0    0.053   0.838     4.602  100.000   76.349
LGA    K    17_A      K    17_A     0.265     0    0.072   0.570     2.043  100.000   93.069
LGA    T    18_A      T    18_A     0.525     0    0.048   1.165     3.482   90.476   82.177
LGA    P    19_A      P    19_A     0.492     0    0.032   0.058     0.849   97.619   94.558
LGA    V    20_A      V    20_A     0.347     0    0.029   0.052     0.389  100.000  100.000
LGA    D    21_A      D    21_A     0.305     0    0.209   0.224     0.683   97.619   97.619
LGA    N    22_A      N    22_A     0.708     0    0.029   0.350     1.391   90.476   89.345
LGA    E    23_A      E    23_A     0.635     0    0.056   0.907     4.056   90.476   76.138
LGA    Q    24_A      Q    24_A     0.812     0    0.024   1.238     5.101   90.476   71.270
LGA    Y    25_A      Y    25_A     0.565     0    0.047   0.141     0.788   90.476   90.476
LGA    K    26_A      K    26_A     0.297     0    0.033   0.836     3.040  100.000   83.598
LGA    E    27_A      E    27_A     0.306     0    0.040   1.329     5.515  100.000   74.762
LGA    L    28_A      L    28_A     0.268     0    0.026   1.236     2.799  100.000   90.238
LGA    A    29_A      A    29_A     0.227     0    0.019   0.028     0.278  100.000  100.000
LGA    H    30_A      H    30_A     0.207     0    0.036   0.120     0.356  100.000  100.000
LGA    F    31_A      F    31_A     0.233     0    0.032   0.076     0.366  100.000  100.000
LGA    A    32_A      A    32_A     0.272     0    0.018   0.022     0.304  100.000  100.000
LGA    V    33_A      V    33_A     0.146     0    0.078   0.969     2.193  100.000   91.088
LGA    S    34_A      S    34_A     0.297     0    0.024   0.039     0.418  100.000  100.000
LGA    K    35_A      K    35_A     0.317     0    0.023   0.489     1.654  100.000   94.868
LGA    Q    36_A      Q    36_A     0.603     0    0.027   0.126     1.016   90.595   90.529
LGA    V    37_A      V    37_A     1.042     0    0.029   0.061     1.543   81.548   82.789
LGA    E    38_A      E    38_A     1.747     0    0.028   1.150     6.836   77.143   51.852
LGA    G    39_A      G    39_A     1.142     0    0.027   0.027     1.331   85.952   85.952
LGA    R    40_A      R    40_A     0.518     0    0.032   1.080     4.336   95.238   80.433
LGA    E    41_A      E    41_A     0.169     0    0.043   0.318     1.264  100.000   95.820
LGA    F    42_A      F    42_A     0.138     0    0.040   0.052     0.414  100.000  100.000
LGA    F    43_A      F    43_A     0.251     0    0.032   0.127     0.389  100.000  100.000
LGA    D    44_A      D    44_A     0.135     0    0.036   0.079     0.452  100.000  100.000
LGA    T    45_A      T    45_A     0.317     0    0.073   0.172     0.817  100.000   95.918
LGA    V    46_A      V    46_A     0.156     0    0.016   1.340     2.553  100.000   88.844
LGA    L    47_A      L    47_A     0.192     0    0.023   1.250     2.576  100.000   90.238
LGA    E    48_A      E    48_A     0.524     0    0.051   0.564     1.563   97.619   88.677
LGA    V    49_A      V    49_A     0.282     0    0.013   1.340     2.547  100.000   88.844
LGA    T    50_A      T    50_A     0.273     0    0.041   0.050     0.273  100.000  100.000
LGA    D    51_A      D    51_A     0.364     0    0.024   0.930     4.264  100.000   83.333
LGA    V    52_A      V    52_A     0.388     0    0.020   1.338     2.678  100.000   88.844
LGA    E    53_A      E    53_A     0.238     0    0.009   0.815     2.983  100.000   89.259
LGA    T    54_A      T    54_A     0.167     0    0.015   0.066     0.454  100.000  100.000
LGA    Q    55_A      Q    55_A     0.677     0    0.024   0.488     2.533   92.857   85.820
LGA    V    56_A      V    56_A     0.984     0    0.046   1.335     3.472   90.476   78.503
LGA    V    57_A      V    57_A     0.766     0    0.324   1.205     4.140   70.714   70.816
LGA    A    58_A      A    58_A     1.881     0    0.145   0.138     2.710   79.405   74.952
LGA    G    59_A      G    59_A     0.467     0    0.045   0.045     0.999   95.238   95.238
LGA    T    60_A      T    60_A     0.847     0    0.026   0.086     1.090   90.476   87.891
LGA    N    61_A      N    61_A     0.664     0    0.023   0.293     2.004   92.857   87.321
LGA    Y    62_A      Y    62_A     0.377     0    0.018   0.058     0.673  100.000   96.032
LGA    R    63_A      R    63_A     0.216     0    0.033   0.984     2.599  100.000   92.900
LGA    I    64_A      I    64_A     0.128     0    0.046   0.089     0.354  100.000  100.000
LGA    T    65_A      T    65_A     0.210     0    0.013   0.051     0.433  100.000  100.000
LGA    F    66_A      F    66_A     0.229     0    0.030   0.180     0.507  100.000   99.134
LGA    K    67_A      K    67_A     0.179     0    0.027   0.189     0.541  100.000   98.942
LGA    I    68_A      I    68_A     0.169     0    0.037   0.079     0.509  100.000   98.810
LGA    A    69_A      A    69_A     0.138     0    0.024   0.027     0.254  100.000  100.000
LGA    E    70_A      E    70_A     0.076     0    0.026   0.622     1.505  100.000   94.921
LGA    S    71_A      S    71_A     0.265     0    0.028   0.079     0.310  100.000  100.000
LGA    T    72_A      T    72_A     0.591     0    0.063   0.101     1.030   97.619   93.265
LGA    C    73_A      C    73_A     0.383     0    0.029   0.119     1.074  100.000   95.317
LGA    R    74_A      R    74_A     0.170     0    0.015   0.128     0.700  100.000   97.403
LGA    V    75_A      V    75_A     0.246     0    0.009   0.043     0.246  100.000  100.000
LGA    T    76_A      T    76_A     0.312     0    0.079   0.165     0.769   97.619   97.279
LGA    E    77_A      E    77_A     0.165     0    0.044   0.396     1.422  100.000   96.878
LGA    T    78_A      T    78_A     0.309     0    0.038   0.077     0.365  100.000  100.000
LGA    Y    79_A      Y    79_A     0.437     0    0.037   0.194     0.679   95.238   96.825
LGA    S    80_A      S    80_A     0.674     0    0.080   0.126     1.237   90.476   88.968
LGA    K    81_A      K    81_A     0.654     0    0.047   0.692     3.721   90.476   75.820
LGA    E    82_A      E    82_A     1.116     0    0.059   1.317     4.654   83.690   70.688
LGA    T    83_A      T    83_A     1.147     0    0.026   0.070     1.639   85.952   82.789
LGA    C    84_A      C    84_A     0.656     0    0.018   0.040     0.846   92.857   92.063
LGA    L    85_A      L    85_A     0.473     0    0.033   1.240     2.794   97.619   85.714
LGA    P    86_A      P    86_A     0.382     0    0.026   0.147     0.487  100.000  100.000
LGA    K    87_A      K    87_A     0.455     0    0.027   0.656     1.979   95.238   86.667
LGA    T    88_A      T    88_A     0.691     0    0.033   0.130     0.801   90.476   90.476
LGA    R    89_A      R    89_A     1.088     6    0.032   0.036     1.564   88.214   38.701
LGA    D    90_A      D    90_A     0.329     0    0.034   0.227     0.929   97.619   95.238
LGA    V    91_A      V    91_A     0.312     0    0.027   1.339     2.983  100.000   88.844
LGA    K    92_A      K    92_A     0.227     0    0.020   0.113     0.618  100.000   97.884
LGA    S    93_A      S    93_A     0.357     0    0.065   0.603     1.517  100.000   93.889
LGA    T    94_A      T    94_A     0.282     0    0.051   0.120     0.491  100.000  100.000
LGA    C    95_A      C    95_A     0.305     0    0.049   0.055     0.305  100.000  100.000
LGA    T    96_A      T    96_A     0.243     0    0.013   0.035     0.285  100.000  100.000
LGA    A    97_A      A    97_A     0.123     0    0.008   0.018     0.222  100.000  100.000
LGA    V    98_A      V    98_A     0.451     0    0.052   1.341     2.905   97.619   86.122
LGA    I    99_A      I    99_A     0.436     0    0.031   0.483     1.148  100.000   96.488
LGA    T   100_A      T   100_A     0.251     0    0.036   0.041     0.329  100.000  100.000
LGA    E   101_A      E   101_A     0.554     0    0.017   0.127     0.791   90.476   90.476
LGA    P   102_A      P   102_A     0.993     0    0.076   0.344     1.335   85.952   87.959
LGA    L   103_A      L   103_A     1.865     0    0.093   0.605     4.018   72.857   60.000
LGA    N   104_A      N   104_A     1.375     0    0.204   1.223     6.668   73.214   48.036
LGA    N   105_A      N   105_A     4.044     0    0.657   0.551     9.344   54.048   30.298
LGA    E   106_A      E   106_A     1.114     0    0.172   1.001     5.978   81.786   63.651
LGA    R   107_A      R   107_A     0.445     0    0.034   0.989     4.097   97.619   86.753
LGA    F   108_A      F   108_A     0.175     0    0.028   0.077     0.339  100.000  100.000
LGA    V   109_A      V   109_A     0.228     0    0.041   1.344     2.518   97.619   86.395
LGA    H   110_A      H   110_A     0.415     0    0.036   0.172     1.276  100.000   92.476
LGA    S   111_A      S   111_A     0.242     0    0.013   0.022     0.282  100.000  100.000
LGA    F   112_A      F   112_A     0.143     0    0.040   0.139     0.446  100.000  100.000
LGA    T   113_A      T   113_A     0.257     0    0.032   1.094     2.628  100.000   88.844
LGA    C   114_A      C   114_A     0.376     0    0.034   0.036     0.576   95.238   96.825
LGA    G   115_A      G   115_A     1.071     0    0.198   0.198     4.387   63.095   63.095

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     0.716          0.755                  1.423           95.037   89.249

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    103    0.72    97.816    99.038    12.623

LGA_LOCAL      RMSD:   0.716  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.716  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   0.716  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.521368 * X  +   0.688779 * Y  +  -0.503745 * Z  + -29.652254
  Y_new =   0.494349 * X  +  -0.237384 * Y  +  -0.836222 * Z  +  28.845678
  Z_new =  -0.695553 * X  +  -0.685005 * Y  +  -0.216732 * Z  +  -1.687911 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.382790  0.769190 -1.877226   [DEG:  136.5238   44.0713 -107.5571 ]
ZXZ: -0.542186  1.789262 -2.348554   [DEG:  -31.0650  102.5172 -134.5623 ]
 
# END of job
