
#######################################################
#                                                     #
#                        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       1.47     1.47
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.47     1.47
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      33_A - 102_A       1.00     1.56
  LCS_AVERAGE:     56.16

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      6  103  103      4   60   83   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      6  103  103     24   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      6  103  103     33   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      6  103  103     33   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      6  103  103     31   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      6  103  103      9   18   55   85   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      6  103  103      3    4   10   17   20   48   70   81   97  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      3    4    4   26   66   88   99  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     15  103  103      3    5    7   21   40   89   94  100  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     16  103  103     10   41   81   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     16  103  103     42   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     16  103  103     33   67   84   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     16  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     16  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     16  103  103     33   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     16  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     18  103  103     42   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     18  103  103     20   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     18  103  103     33   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     67  103  103     40   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     70  103  103     33   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     70  103  103     31   67   83   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     70  103  103     29   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     70  103  103      3   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     70  103  103      3   26   42   72   96   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     70  103  103     12   51   84   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     70  103  103     18   53   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     70  103  103     18   55   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     70  103  103     20   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     70  103  103     20   62   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     70  103  103     41   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     70  103  103     38   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     70  103  103     38   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     70  103  103     36   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     70  103  103     33   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     70  103  103     32   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     70  103  103      9   43   80   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     70  103  103      3    4   48   66   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     70  103  103     31   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     70  103  103     42   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     70  103  103     40   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     70  103  103     32   62   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     70  103  103     23   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     70  103  103     23   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     70  103  103     23   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     70  103  103     19   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     70  103  103     23   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     70  103  103     21   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     70  103  103     23   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     70  103  103     19   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     70  103  103     19   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     70  103  103     13   58   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     70  103  103     13   58   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     70  103  103     23   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     70  103  103     23   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     70  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     70  103  103     42   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     69  103  103     31   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     68  103  103      3   45   80   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     57  103  103      3    4    4   30   72   92  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     57  103  103      5   59   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     57  103  103      3   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     57  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     57  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     57  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     57  103  103     42   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     57  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     57  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     57  103  103     43   67   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     57  103  103     11   66   85   96   97   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  85.39  (  56.16  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     43     67     85     96     97     99    100    101    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  41.75  65.05  82.52  93.20  94.17  96.12  97.09  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.55   0.89   1.05   1.08   1.19   1.25   1.31   1.37   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47
GDT RMS_ALL_AT   1.66   1.79   1.54   1.49   1.48   1.48   1.48   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47   1.47

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  Y    79_A      Y    79_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     1.573     0    0.030   0.030     1.573   86.071   86.071
LGA    W    14_A      W    14_A     1.264     0    0.102   0.301     1.936   77.143   80.986
LGA    Q    15_A      Q    15_A     1.412     0    0.110   0.838     4.846   81.429   61.164
LGA    K    16_A      K    16_A     1.387     0    0.044   0.355     2.544   79.286   77.778
LGA    K    17_A      K    17_A     1.493     0    0.072   0.609     1.798   79.286   81.534
LGA    T    18_A      T    18_A     2.780     0    0.203   1.077     5.217   46.310   45.238
LGA    P    19_A      P    19_A     5.545     0    0.633   0.616     7.428   29.048   21.361
LGA    V    20_A      V    20_A     4.139     0    0.144   1.186     7.997   39.167   32.449
LGA    D    21_A      D    21_A     4.325     0    0.025   0.941     5.587   39.167   37.738
LGA    N    22_A      N    22_A     2.076     0    0.140   0.197     2.793   70.952   66.905
LGA    E    23_A      E    23_A     1.312     0    0.007   0.790     5.113   79.286   60.476
LGA    Q    24_A      Q    24_A     1.715     0    0.031   0.096     2.516   77.143   70.317
LGA    Y    25_A      Y    25_A     0.920     0    0.014   0.138     2.177   88.214   80.198
LGA    K    26_A      K    26_A     0.950     0    0.043   0.894     3.271   85.952   74.444
LGA    E    27_A      E    27_A     1.325     0    0.012   1.322     4.574   81.429   69.524
LGA    L    28_A      L    28_A     1.079     0    0.042   0.114     1.282   81.429   82.560
LGA    A    29_A      A    29_A     1.027     0    0.032   0.041     1.325   83.690   85.048
LGA    H    30_A      H    30_A     1.507     0    0.018   0.155     1.700   75.000   78.952
LGA    F    31_A      F    31_A     1.537     0    0.023   0.143     1.640   72.857   75.195
LGA    A    32_A      A    32_A     1.394     0    0.017   0.016     1.590   79.286   79.714
LGA    V    33_A      V    33_A     1.372     0    0.106   0.776     3.046   77.143   73.265
LGA    S    34_A      S    34_A     1.690     0    0.021   0.057     1.757   77.143   75.714
LGA    K    35_A      K    35_A     0.952     0    0.019   0.294     1.803   85.952   84.497
LGA    Q    36_A      Q    36_A     1.325     0    0.331   0.487     2.889   75.357   69.524
LGA    V    37_A      V    37_A     1.102     0    0.174   0.197     3.827   81.548   67.143
LGA    E    38_A      E    38_A     3.453     0    0.639   1.552     9.504   44.881   27.989
LGA    G    39_A      G    39_A     1.895     0    0.009   0.009     1.952   72.857   72.857
LGA    R    40_A      R    40_A     1.420     0    0.045   0.774     7.448   79.286   50.952
LGA    E    41_A      E    41_A     1.386     0    0.052   0.281     2.233   81.429   74.021
LGA    F    42_A      F    42_A     0.786     0    0.044   0.140     1.655   88.214   83.983
LGA    F    43_A      F    43_A     0.599     0    0.016   0.168     1.268   95.238   89.740
LGA    D    44_A      D    44_A     0.465     0    0.023   0.178     0.712  100.000   96.429
LGA    T    45_A      T    45_A     0.468     0    0.077   0.158     0.812  100.000   95.918
LGA    V    46_A      V    46_A     0.785     0    0.030   0.089     1.597   90.476   85.374
LGA    L    47_A      L    47_A     0.484     0    0.035   1.095     2.937  100.000   88.869
LGA    E    48_A      E    48_A     0.473     0    0.054   0.137     0.672  100.000   96.825
LGA    V    49_A      V    49_A     0.433     0    0.012   0.073     0.952  100.000   95.918
LGA    T    50_A      T    50_A     0.228     0    0.109   1.129     2.799   92.976   84.626
LGA    D    51_A      D    51_A     0.646     0    0.040   0.237     2.189   95.238   85.238
LGA    V    52_A      V    52_A     0.631     0    0.020   0.040     0.838   90.476   90.476
LGA    E    53_A      E    53_A     0.529     0    0.045   0.728     2.825   95.238   83.228
LGA    T    54_A      T    54_A     0.605     0    0.167   0.253     0.693   92.857   91.837
LGA    Q    55_A      Q    55_A     0.764     0    0.059   0.834     3.609   92.857   77.090
LGA    V    56_A      V    56_A     0.872     0    0.065   0.114     1.374   85.952   84.014
LGA    V    57_A      V    57_A     1.834     0    0.326   1.063     4.903   56.786   58.299
LGA    A    58_A      A    58_A     3.400     0    0.442   0.424     5.034   47.738   45.619
LGA    G    59_A      G    59_A     0.671     0    0.040   0.040     0.997   90.476   90.476
LGA    T    60_A      T    60_A     0.675     0    0.052   0.106     0.949   90.476   90.476
LGA    N    61_A      N    61_A     0.905     0    0.141   0.276     1.524   90.476   87.143
LGA    Y    62_A      Y    62_A     0.674     0    0.027   0.057     1.272   90.476   88.214
LGA    R    63_A      R    63_A     0.452     0    0.023   0.693     1.969  100.000   87.489
LGA    I    64_A      I    64_A     0.558     0    0.047   0.054     0.734   90.476   90.476
LGA    T    65_A      T    65_A     0.436     0    0.043   0.082     0.581  100.000   98.639
LGA    F    66_A      F    66_A     0.425     0    0.061   0.110     1.311   97.619   89.784
LGA    K    67_A      K    67_A     0.341     0    0.028   0.679     1.779  100.000   92.804
LGA    I    68_A      I    68_A     0.396     0    0.031   0.091     0.707   95.238   96.429
LGA    A    69_A      A    69_A     0.802     0    0.054   0.083     1.159   95.238   92.476
LGA    E    70_A      E    70_A     0.102     0    0.022   0.617     1.962  100.000   88.889
LGA    S    71_A      S    71_A     0.249     0    0.061   0.503     2.016   95.238   90.952
LGA    T    72_A      T    72_A     0.554     0    0.025   0.142     0.885   92.857   91.837
LGA    C    73_A      C    73_A     0.945     0    0.041   0.090     1.048   90.476   88.968
LGA    R    74_A      R    74_A     1.203     0    0.026   0.130     1.734   81.429   77.532
LGA    V    75_A      V    75_A     1.038     0    0.039   0.064     1.319   81.429   84.014
LGA    T    76_A      T    76_A     1.508     0    0.027   0.226     2.177   75.000   72.925
LGA    E    77_A      E    77_A     1.426     0    0.019   0.181     1.645   77.143   80.529
LGA    T    78_A      T    78_A     1.506     0    0.008   0.053     1.917   79.286   76.531
LGA    Y    79_A      Y    79_A     1.054     0    0.020   0.127     1.254   81.429   90.635
LGA    S    80_A      S    80_A     1.327     0    0.055   0.079     1.723   81.429   78.571
LGA    K    81_A      K    81_A     1.305     0    0.078   0.649     3.394   77.143   70.476
LGA    E    82_A      E    82_A     1.899     0    0.078   0.753     3.587   72.857   63.439
LGA    T    83_A      T    83_A     1.813     0    0.079   1.059     3.323   70.833   68.435
LGA    C    84_A      C    84_A     1.050     0    0.076   0.100     1.243   85.952   85.952
LGA    L    85_A      L    85_A     1.042     0    0.039   0.084     1.914   85.952   80.476
LGA    P    86_A      P    86_A     0.377     0    0.024   0.093     0.911   97.619   95.918
LGA    K    87_A      K    87_A     0.358     0    0.088   0.873     4.788  100.000   76.931
LGA    T    88_A      T    88_A     0.393     0    0.086   0.982     2.566  100.000   88.639
LGA    R    89_A      R    89_A     0.423     6    0.114   0.118     0.710   95.238   43.723
LGA    D    90_A      D    90_A     0.483     0    0.025   0.116     1.597  100.000   90.774
LGA    V    91_A      V    91_A     0.344     0    0.096   0.120     0.905   97.619   94.558
LGA    K    92_A      K    92_A     0.412     0    0.038   0.498     1.170  100.000   92.698
LGA    S    93_A      S    93_A     0.254     0    0.096   0.141     0.388  100.000  100.000
LGA    T    94_A      T    94_A     0.451     0    0.016   0.084     0.652  100.000   97.279
LGA    C    95_A      C    95_A     0.502     0    0.029   0.033     0.530   92.857   93.651
LGA    T    96_A      T    96_A     0.687     0    0.039   0.081     0.718   90.476   90.476
LGA    A    97_A      A    97_A     0.883     0    0.020   0.032     0.906   90.476   90.476
LGA    V    98_A      V    98_A     1.026     0    0.022   0.025     1.252   83.690   82.721
LGA    I    99_A      I    99_A     1.148     0    0.036   0.469     1.603   85.952   83.750
LGA    T   100_A      T   100_A     0.658     0    0.037   0.061     0.831   90.476   90.476
LGA    E   101_A      E   101_A     0.811     0    0.061   0.206     0.945   90.476   90.476
LGA    P   102_A      P   102_A     0.742     0    0.021   0.031     1.008   88.214   89.184
LGA    L   103_A      L   103_A     1.333     0    0.143   1.357     4.144   81.429   71.667
LGA    N   104_A      N   104_A     1.936     0    0.202   1.277     6.843   63.452   43.155
LGA    N   105_A      N   105_A     4.086     0    0.666   0.554     9.349   52.262   28.750
LGA    E   106_A      E   106_A     0.956     0    0.142   0.572     5.961   77.381   57.090
LGA    R   107_A      R   107_A     1.350     0    0.108   1.427     3.245   79.286   70.952
LGA    F   108_A      F   108_A     1.289     0    0.061   1.269     4.989   81.429   68.139
LGA    V   109_A      V   109_A     1.251     0    0.022   0.042     1.342   81.429   81.429
LGA    H   110_A      H   110_A     1.287     0    0.012   1.101     2.749   81.429   75.667
LGA    S   111_A      S   111_A     1.275     0    0.035   0.680     2.320   83.690   80.159
LGA    F   112_A      F   112_A     0.995     0    0.050   0.196     1.121   85.952   84.719
LGA    T   113_A      T   113_A     0.930     0    0.136   0.962     2.553   88.214   80.612
LGA    C   114_A      C   114_A     0.434     0    0.259   0.280     1.396   92.976   95.317
LGA    G   115_A      G   115_A     1.006     0    0.042   0.042     2.385   75.357   75.357

# 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):     1.472          1.513                  2.053           83.768   78.412

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    101    1.31    89.078    94.524     7.144

LGA_LOCAL      RMSD:   1.314  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.474  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.472  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.166978 * X  +  -0.172400 * Y  +   0.970771 * Z  + -38.335518
  Y_new =  -0.698718 * X  +   0.715364 * Y  +   0.006859 * Z  +  25.728344
  Z_new =  -0.695637 * X  +  -0.677150 * Y  +  -0.239910 * Z  +  29.565260 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.805375  0.769306 -1.911291   [DEG: -103.4404   44.0780 -109.5089 ]
ZXZ:  1.577861  1.813069 -2.342729   [DEG:   90.4048  103.8812 -134.2285 ]
 
# END of job
