
#######################################################
#                                                     #
#                        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       1.62     1.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.62     1.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      39_A - 100_A       1.00     1.79
  LCS_AVERAGE:     43.98

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      7  103  103      4   24   67   76   89   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103      9   54   73   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103      9   58   73   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     37   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     29   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103      9   16   57   76   95   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      3    4    9   15   21   40   57   65   92  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      3    4   18   23   32   78   99  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     14  103  103      3    5    7   18   29   87   94  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     16  103  103      9   58   73   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     16  103  103     44   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     16  103  103     37   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     16  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     24  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     24  103  103     42   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     24  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     24  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     24  103  103     37   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     24  103  103     37   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     24  103  103     42   64   75   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     24  103  103     42   64   75   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     24  103  103     37   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     24  103  103     44   64   75   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     24  103  103     28   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     61  103  103      5   35   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     61  103  103      3   26   69   88   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     62  103  103     12   52   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     62  103  103      7   50   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     62  103  103     10   50   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     62  103  103     12   53   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     62  103  103     12   53   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     62  103  103     35   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     62  103  103     43   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     62  103  103     42   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     62  103  103     29   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     62  103  103     30   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     62  103  103     25   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     62  103  103      9   41   73   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     62  103  103      3    5   15   41   92   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     62  103  103     22   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     62  103  103     43   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     62  103  103     19   62   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     62  103  103     17   58   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     62  103  103     10   52   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     62  103  103     15   51   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     62  103  103     15   52   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     62  103  103      7   44   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     62  103  103     15   51   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     62  103  103     15   48   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     62  103  103      9   48   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     62  103  103      6   48   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     62  103  103      7   48   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     62  103  103      7   33   73   87   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     62  103  103      9   48   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     62  103  103     11   52   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     62  103  103     26   58   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     62  103  103     43   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     62  103  103     39   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     62  103  103     29   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     62  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     60  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     46  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     46  103  103      6   64   74   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     46  103  103      7   50   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      7  103  103      3    5    8   45   63   81  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      7   48   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      3   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     44   64   75   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     44   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     38   64   76   89   96   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  81.33  (  43.98  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     44     64     76     89     96     99    100    101    102    102    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  42.72  62.14  73.79  86.41  93.20  96.12  97.09  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.54   0.97   1.10   1.25   1.36   1.43   1.47   1.53   1.53   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62
GDT RMS_ALL_AT   1.93   1.97   1.70   1.66   1.64   1.62   1.63   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62

# 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:  E    41_A      E    41_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:  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     2.998     0    0.191   0.191     2.998   62.857   62.857
LGA    W    14_A      W    14_A     2.108     0    0.061   0.309     2.535   64.762   71.429
LGA    Q    15_A      Q    15_A     2.142     0    0.052   0.768     5.860   72.976   51.323
LGA    K    16_A      K    16_A     1.421     0    0.014   0.313     1.955   75.000   79.630
LGA    K    17_A      K    17_A     1.521     0    0.062   0.608     1.851   77.143   80.582
LGA    T    18_A      T    18_A     2.866     0    0.193   1.063     5.307   46.310   45.238
LGA    P    19_A      P    19_A     5.653     0    0.631   0.614     7.690   29.048   20.952
LGA    V    20_A      V    20_A     4.042     0    0.145   1.186     7.873   39.167   33.333
LGA    D    21_A      D    21_A     4.059     0    0.025   0.947     5.337   42.262   41.488
LGA    N    22_A      N    22_A     1.907     0    0.150   0.338     3.016   75.119   69.107
LGA    E    23_A      E    23_A     1.327     0    0.004   0.794     5.306   81.429   61.429
LGA    Q    24_A      Q    24_A     1.755     0    0.032   0.120     2.440   75.000   69.312
LGA    Y    25_A      Y    25_A     1.027     0    0.012   0.250     2.448   83.690   76.627
LGA    K    26_A      K    26_A     1.157     0    0.042   0.893     2.903   81.429   75.079
LGA    E    27_A      E    27_A     1.459     0    0.011   1.388     4.934   81.429   67.937
LGA    L    28_A      L    28_A     1.145     0    0.041   0.116     1.259   81.429   81.429
LGA    A    29_A      A    29_A     1.129     0    0.025   0.033     1.415   81.429   81.429
LGA    H    30_A      H    30_A     1.678     0    0.016   0.207     1.914   75.000   78.048
LGA    F    31_A      F    31_A     1.697     0    0.015   0.149     1.800   72.857   75.195
LGA    A    32_A      A    32_A     1.511     0    0.017   0.022     1.810   72.857   74.571
LGA    V    33_A      V    33_A     1.633     0    0.093   0.787     3.414   70.833   68.435
LGA    S    34_A      S    34_A     1.954     0    0.102   0.118     2.410   70.833   71.508
LGA    K    35_A      K    35_A     1.457     0    0.018   0.278     2.460   77.143   75.767
LGA    Q    36_A      Q    36_A     1.654     0    0.492   0.559     3.109   69.286   64.286
LGA    V    37_A      V    37_A     1.250     0    0.486   0.937     5.751   77.619   60.748
LGA    E    38_A      E    38_A     2.590     0    0.638   1.525     7.309   54.643   41.481
LGA    G    39_A      G    39_A     1.367     0    0.022   0.022     1.625   79.286   79.286
LGA    R    40_A      R    40_A     1.690     0    0.041   0.741     7.838   72.857   44.978
LGA    E    41_A      E    41_A     1.747     0    0.031   0.901     4.251   77.143   68.201
LGA    F    42_A      F    42_A     1.099     0    0.027   0.143     2.023   81.429   78.355
LGA    F    43_A      F    43_A     1.047     0    0.043   1.136     5.399   88.333   67.143
LGA    D    44_A      D    44_A     0.648     0    0.169   0.275     1.433   92.857   87.143
LGA    T    45_A      T    45_A     0.505     0    0.125   0.896     2.460   92.857   86.871
LGA    V    46_A      V    46_A     1.117     0    0.026   0.075     1.841   85.952   80.340
LGA    L    47_A      L    47_A     0.870     0    0.041   1.109     3.153   90.476   82.202
LGA    E    48_A      E    48_A     0.854     0    0.071   0.130     0.854   90.476   90.476
LGA    V    49_A      V    49_A     0.735     0    0.020   0.080     1.156   90.476   87.891
LGA    T    50_A      T    50_A     0.431     0    0.028   0.058     0.546   97.619   97.279
LGA    D    51_A      D    51_A     0.383     0    0.038   0.853     3.757  100.000   81.071
LGA    V    52_A      V    52_A     0.310     0    0.051   0.067     0.616   97.619   97.279
LGA    E    53_A      E    53_A     0.396     0    0.055   0.756     3.297  100.000   84.709
LGA    T    54_A      T    54_A     0.836     0    0.098   1.088     3.097   83.810   77.075
LGA    Q    55_A      Q    55_A     0.818     0    0.094   0.793     4.732   90.476   73.175
LGA    V    56_A      V    56_A     1.335     0    0.053   0.107     1.637   77.143   75.306
LGA    V    57_A      V    57_A     2.037     0    0.325   1.061     5.158   53.452   56.395
LGA    A    58_A      A    58_A     3.628     0    0.431   0.410     5.291   44.167   41.619
LGA    G    59_A      G    59_A     0.733     0    0.053   0.053     1.131   88.214   88.214
LGA    T    60_A      T    60_A     0.626     0    0.052   0.084     0.763   90.476   91.837
LGA    N    61_A      N    61_A     0.709     0    0.061   0.278     1.473   92.857   90.536
LGA    Y    62_A      Y    62_A     0.758     0    0.035   0.080     1.314   88.214   85.198
LGA    R    63_A      R    63_A     0.463     0    0.016   0.699     2.370  100.000   85.974
LGA    I    64_A      I    64_A     0.627     0    0.045   0.047     0.837   90.476   90.476
LGA    T    65_A      T    65_A     0.451     0    0.038   0.071     0.603  100.000   98.639
LGA    F    66_A      F    66_A     0.558     0    0.062   0.112     1.413   92.857   88.052
LGA    K    67_A      K    67_A     0.591     0    0.023   0.675     1.712   90.476   87.513
LGA    I    68_A      I    68_A     0.633     0    0.041   0.095     1.010   88.214   90.536
LGA    A    69_A      A    69_A     1.103     0    0.027   0.037     1.455   90.595   88.762
LGA    E    70_A      E    70_A     0.528     0    0.018   0.669     2.063   92.857   82.804
LGA    S    71_A      S    71_A     0.586     0    0.069   0.507     2.221   92.857   87.778
LGA    T    72_A      T    72_A     0.685     0    0.024   0.101     1.111   90.476   89.184
LGA    C    73_A      C    73_A     1.343     0    0.112   0.780     1.760   81.429   80.000
LGA    R    74_A      R    74_A     1.598     0    0.031   1.287     7.633   77.143   56.017
LGA    V    75_A      V    75_A     1.322     0    0.038   0.065     1.610   77.143   77.755
LGA    T    76_A      T    76_A     1.911     0    0.027   0.218     2.544   68.810   67.143
LGA    E    77_A      E    77_A     1.722     0    0.042   0.605     2.207   70.833   75.873
LGA    T    78_A      T    78_A     1.982     0    0.023   0.069     2.319   72.857   69.388
LGA    Y    79_A      Y    79_A     1.794     0    0.094   1.181     6.715   72.857   60.159
LGA    S    80_A      S    80_A     2.070     0    0.026   0.585     2.424   70.833   70.159
LGA    K    81_A      K    81_A     2.171     0    0.077   0.648     3.315   62.857   61.534
LGA    E    82_A      E    82_A     2.780     0    0.060   0.801     3.497   57.143   54.762
LGA    T    83_A      T    83_A     2.361     0    0.054   1.069     4.448   66.786   60.884
LGA    C    84_A      C    84_A     1.045     0    0.050   0.845     2.007   90.714   84.841
LGA    L    85_A      L    85_A     0.554     0    0.029   0.108     1.883   95.238   86.250
LGA    P    86_A      P    86_A     0.443     0    0.027   0.110     0.978  100.000   95.918
LGA    K    87_A      K    87_A     0.298     0    0.091   0.833     4.692   97.619   76.508
LGA    T    88_A      T    88_A     0.375     0    0.082   0.977     2.571  100.000   90.000
LGA    R    89_A      R    89_A     0.454     6    0.108   0.112     0.867   95.238   43.723
LGA    D    90_A      D    90_A     0.433     0    0.023   0.111     1.723  100.000   90.774
LGA    V    91_A      V    91_A     0.412     0    0.104   0.128     1.132   97.619   93.265
LGA    K    92_A      K    92_A     0.726     0    0.078   1.144     8.786   92.857   61.958
LGA    S    93_A      S    93_A     0.616     0    0.090   0.145     0.756   90.476   90.476
LGA    T    94_A      T    94_A     0.685     0    0.014   0.065     0.932   90.476   90.476
LGA    C    95_A      C    95_A     0.555     0    0.030   0.038     0.719   90.476   90.476
LGA    T    96_A      T    96_A     0.715     0    0.038   0.078     0.743   90.476   90.476
LGA    A    97_A      A    97_A     0.923     0    0.022   0.033     0.976   90.476   90.476
LGA    V    98_A      V    98_A     1.055     0    0.014   0.021     1.242   83.690   82.721
LGA    I    99_A      I    99_A     1.180     0    0.043   0.481     1.549   85.952   83.750
LGA    T   100_A      T   100_A     0.639     0    0.037   0.060     0.795   90.476   90.476
LGA    E   101_A      E   101_A     0.766     0    0.052   0.197     0.965   90.476   90.476
LGA    P   102_A      P   102_A     0.952     0    0.062   0.075     1.242   85.952   85.306
LGA    L   103_A      L   103_A     1.867     0    0.613   1.461     5.486   66.071   58.750
LGA    N   104_A      N   104_A     1.394     0    0.202   0.901     4.215   66.548   67.798
LGA    N   105_A      N   105_A     4.700     0    0.583   0.551    10.597   45.357   24.107
LGA    E   106_A      E   106_A     1.290     0    0.171   0.679     6.921   69.286   49.312
LGA    R   107_A      R   107_A     1.074     0    0.122   1.414     3.367   83.690   72.554
LGA    F   108_A      F   108_A     1.147     0    0.058   1.286     5.258   85.952   68.788
LGA    V   109_A      V   109_A     1.171     0    0.033   0.047     1.215   81.429   81.429
LGA    H   110_A      H   110_A     1.231     0    0.027   0.139     1.475   81.429   81.429
LGA    S   111_A      S   111_A     1.231     0    0.040   0.562     2.591   81.429   77.381
LGA    F   112_A      F   112_A     1.157     0    0.046   0.183     1.392   81.429   81.429
LGA    T   113_A      T   113_A     1.040     0    0.116   0.966     2.605   83.690   78.027
LGA    C   114_A      C   114_A     0.684     0    0.044   0.067     0.748   90.476   90.476
LGA    G   115_A      G   115_A     0.589     0    0.605   0.605     3.079   75.952   75.952

# 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):     1.620          1.666                  2.292           80.546   74.864

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    101    1.47    86.650    93.059     6.450

LGA_LOCAL      RMSD:   1.466  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.622  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.620  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.867324 * X  +   0.440335 * Y  +   0.232066 * Z  + -35.473244
  Y_new =  -0.255046 * X  +   0.007217 * Y  +  -0.966902 * Z  +  24.794666
  Z_new =  -0.427435 * X  +  -0.897805 * Y  +   0.106046 * Z  +  27.644470 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.855594  0.441654 -1.453224   [DEG: -163.6135   25.3049  -83.2636 ]
ZXZ:  0.235554  1.464550 -2.697256   [DEG:   13.4963   83.9126 -154.5414 ]
 
# END of job
