
#######################################################
#                                                     #
#                        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       1.01     1.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.01     1.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    96      20_A - 115_A       0.92     1.02
  LCS_AVERAGE:     92.94

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     92  103  103     23   71   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     92  103  103     34   85   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     92  103  103     54   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     92  103  103     55   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     92  103  103     55   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     92  103  103     13   46   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     92  103  103      3    3    3   19   27   50   79  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     96  103  103      3    4    5   64   98  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     96  103  103      3    4   81   97  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     96  103  103     29   79   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     96  103  103     50   85   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     96  103  103     55   85   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     96  103  103     33   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     96  103  103     12   41   91   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     96  103  103     12   80   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     96  103  103     52   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     96  103  103     55   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     96  103  103     55   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     96  103  103     11   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     96  103  103     24   84   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     96  103  103      6   39   76   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     96  103  103     24   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     96  103  103     54   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     96  103  103     55   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     96  103  103     53   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     96  103  103     54   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     96  103  103     30   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     96  103  103     10   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     96  103  103     28   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     96  103  103     50   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     96  103  103     50   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     96  103  103     54   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     96  103  103     46   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     96  103  103     40   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     96  103  103     46   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     96  103  103     13   21   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     96  103  103      3    3    4    9   13   75  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     96  103  103     10   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     96  103  103     14   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     96  103  103     34   85   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     96  103  103     50   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     96  103  103     50   85   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     96  103  103     54   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     96  103  103     56   86   97   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.65  (  92.94  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     56     86     97     99    100    101    102    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  54.37  83.50  94.17  96.12  97.09  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.53   0.66   0.72   0.77   0.83   0.92   0.92   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01
GDT RMS_ALL_AT   1.16   1.03   1.02   1.02   1.02   1.02   1.02   1.02   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01

# Checking swapping
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  E   101_A      E   101_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     1.366     0    0.126   0.126     1.366   83.690   83.690
LGA    W    14_A      W    14_A     0.829     0    0.029   0.092     1.298   85.952   87.891
LGA    Q    15_A      Q    15_A     0.554     0    0.023   1.169     4.720   95.238   80.317
LGA    K    16_A      K    16_A     0.245     0    0.014   0.365     1.455  100.000   94.815
LGA    K    17_A      K    17_A     0.313     0    0.078   0.594     1.557   95.238   91.746
LGA    T    18_A      T    18_A     1.351     0    0.155   0.981     4.160   64.762   64.966
LGA    P    19_A      P    19_A     4.381     0    0.657   0.629     7.289   45.357   32.245
LGA    V    20_A      V    20_A     3.068     0    0.639   0.943     7.087   53.214   43.469
LGA    D    21_A      D    21_A     2.942     0    0.084   0.975     3.897   55.595   59.583
LGA    N    22_A      N    22_A     1.516     0    0.104   0.118     1.758   79.286   77.143
LGA    E    23_A      E    23_A     1.149     0    0.020   0.813     4.735   81.429   65.767
LGA    Q    24_A      Q    24_A     1.015     0    0.029   0.119     1.325   85.952   83.439
LGA    Y    25_A      Y    25_A     0.669     0    0.063   0.064     0.831   90.476   90.476
LGA    K    26_A      K    26_A     0.666     0    0.023   0.832     2.792   90.476   79.101
LGA    E    27_A      E    27_A     0.743     0    0.021   1.275     4.914   90.476   74.709
LGA    L    28_A      L    28_A     0.633     0    0.021   0.124     1.007   90.476   89.345
LGA    A    29_A      A    29_A     0.461     0    0.029   0.036     0.565   92.857   94.286
LGA    H    30_A      H    30_A     0.627     0    0.043   0.054     0.642   90.476   90.476
LGA    F    31_A      F    31_A     0.666     0    0.020   0.074     0.880   90.476   90.476
LGA    A    32_A      A    32_A     0.586     0    0.026   0.031     0.604   90.476   90.476
LGA    V    33_A      V    33_A     0.429     0    0.039   0.748     2.079   95.238   89.592
LGA    S    34_A      S    34_A     0.736     0    0.012   0.034     0.901   90.476   90.476
LGA    K    35_A      K    35_A     0.594     0    0.056   0.239     2.168   90.476   84.656
LGA    Q    36_A      Q    36_A     0.689     0    0.060   0.113     1.377   90.476   86.455
LGA    V    37_A      V    37_A     1.004     0    0.026   0.049     1.361   83.690   84.014
LGA    E    38_A      E    38_A     2.058     0    0.019   0.997     5.290   70.833   54.550
LGA    G    39_A      G    39_A     1.441     0    0.021   0.021     1.653   81.548   81.548
LGA    R    40_A      R    40_A     0.715     0    0.019   0.531     1.606   88.214   88.139
LGA    E    41_A      E    41_A     0.624     0    0.053   0.281     0.822   92.857   91.534
LGA    F    42_A      F    42_A     0.323     0    0.037   0.064     0.457  100.000  100.000
LGA    F    43_A      F    43_A     0.364     0    0.018   0.101     0.743  100.000   94.805
LGA    D    44_A      D    44_A     0.292     0    0.052   0.128     0.541  100.000   97.619
LGA    T    45_A      T    45_A     0.224     0    0.062   0.137     0.282  100.000  100.000
LGA    V    46_A      V    46_A     0.519     0    0.026   0.084     0.854   90.476   90.476
LGA    L    47_A      L    47_A     0.457     0    0.027   0.034     0.692   95.238   96.429
LGA    E    48_A      E    48_A     0.504     0    0.038   0.077     0.938   97.619   94.709
LGA    V    49_A      V    49_A     0.494     0    0.039   0.054     0.650   95.238   93.197
LGA    T    50_A      T    50_A     0.286     0    0.036   0.084     0.346  100.000  100.000
LGA    D    51_A      D    51_A     0.219     0    0.022   0.932     4.286  100.000   83.333
LGA    V    52_A      V    52_A     0.146     0    0.017   0.034     0.358  100.000  100.000
LGA    E    53_A      E    53_A     0.068     0    0.031   0.940     3.964  100.000   86.772
LGA    T    54_A      T    54_A     0.246     0    0.013   0.057     0.403  100.000  100.000
LGA    Q    55_A      Q    55_A     0.129     0    0.056   0.436     1.928  100.000   95.926
LGA    V    56_A      V    56_A     0.926     0    0.016   0.061     1.287   90.476   86.599
LGA    V    57_A      V    57_A     1.096     0    0.314   1.100     4.288   66.190   68.571
LGA    A    58_A      A    58_A     1.927     0    0.169   0.167     2.686   75.000   71.429
LGA    G    59_A      G    59_A     0.876     0    0.076   0.076     1.214   85.952   85.952
LGA    T    60_A      T    60_A     0.533     0    0.030   0.064     0.878   92.857   91.837
LGA    N    61_A      N    61_A     0.615     0    0.067   0.447     2.034   95.238   90.833
LGA    Y    62_A      Y    62_A     0.500     0    0.044   0.107     0.641   92.857   92.857
LGA    R    63_A      R    63_A     0.535     0    0.059   0.697     2.028   95.238   86.797
LGA    I    64_A      I    64_A     0.537     0    0.020   0.034     0.745   90.476   90.476
LGA    T    65_A      T    65_A     0.371     0    0.038   0.050     0.465  100.000  100.000
LGA    F    66_A      F    66_A     0.493     0    0.033   0.154     0.999   97.619   93.074
LGA    K    67_A      K    67_A     0.407     0    0.019   0.175     0.953  100.000   95.767
LGA    I    68_A      I    68_A     0.353     0    0.034   0.070     0.420  100.000  100.000
LGA    A    69_A      A    69_A     0.175     0    0.059   0.089     0.294  100.000  100.000
LGA    E    70_A      E    70_A     0.253     0    0.010   0.401     1.317  100.000   96.878
LGA    S    71_A      S    71_A     0.337     0    0.029   0.067     0.688   95.238   96.825
LGA    T    72_A      T    72_A     0.587     0    0.025   0.064     0.641   92.857   91.837
LGA    C    73_A      C    73_A     0.663     0    0.038   0.144     1.079   90.476   88.968
LGA    R    74_A      R    74_A     0.649     0    0.007   0.562     2.321   90.476   86.494
LGA    V    75_A      V    75_A     0.632     0    0.037   0.065     1.016   90.476   89.184
LGA    T    76_A      T    76_A     0.556     0    0.089   0.147     1.325   95.238   90.612
LGA    E    77_A      E    77_A     0.340     0    0.050   0.148     0.545  100.000   98.942
LGA    T    78_A      T    78_A     0.273     0    0.022   0.057     0.412  100.000  100.000
LGA    Y    79_A      Y    79_A     0.266     0    0.020   0.113     0.630  100.000   98.413
LGA    S    80_A      S    80_A     0.258     0    0.039   0.083     0.278  100.000  100.000
LGA    K    81_A      K    81_A     0.838     0    0.042   0.671     3.731   90.476   75.820
LGA    E    82_A      E    82_A     1.054     0    0.043   1.313     5.413   85.952   67.196
LGA    T    83_A      T    83_A     0.825     0    0.036   0.046     1.086   90.476   89.184
LGA    C    84_A      C    84_A     0.297     0    0.047   0.076     0.358  100.000  100.000
LGA    L    85_A      L    85_A     0.356     0    0.023   0.082     0.898  100.000   95.238
LGA    P    86_A      P    86_A     0.119     0    0.037   0.242     0.569  100.000   98.639
LGA    K    87_A      K    87_A     0.315     0    0.014   0.084     0.891   97.619   96.825
LGA    T    88_A      T    88_A     0.395     0    0.026   0.080     0.585  100.000   98.639
LGA    R    89_A      R    89_A     0.630     6    0.014   0.015     0.748   90.476   41.126
LGA    D    90_A      D    90_A     0.704     0    0.022   0.114     1.757   95.238   87.321
LGA    V    91_A      V    91_A     0.257     0    0.027   0.034     0.555  100.000   98.639
LGA    K    92_A      K    92_A     0.204     0    0.020   0.098     1.231  100.000   94.762
LGA    S    93_A      S    93_A     0.287     0    0.050   0.665     1.856  100.000   93.889
LGA    T    94_A      T    94_A     0.236     0    0.066   0.086     0.328  100.000  100.000
LGA    C    95_A      C    95_A     0.258     0    0.023   0.039     0.363  100.000  100.000
LGA    T    96_A      T    96_A     0.455     0    0.028   0.046     0.556  100.000   95.918
LGA    A    97_A      A    97_A     0.575     0    0.019   0.041     0.626   90.476   90.476
LGA    V    98_A      V    98_A     0.871     0    0.034   0.047     1.071   90.476   89.184
LGA    I    99_A      I    99_A     0.864     0    0.029   0.408     1.302   90.476   89.345
LGA    T   100_A      T   100_A     0.393     0    0.019   0.049     0.720   97.619   94.558
LGA    E   101_A      E   101_A     0.554     0    0.035   0.619     1.976   90.476   86.614
LGA    P   102_A      P   102_A     0.647     0    0.053   0.271     0.997   90.476   90.476
LGA    L   103_A      L   103_A     0.576     0    0.079   1.374     2.997   90.476   79.940
LGA    N   104_A      N   104_A     1.354     0    0.142   0.829     4.286   69.405   58.155
LGA    N   105_A      N   105_A     4.146     0    0.671   0.586     9.413   50.357   28.452
LGA    E   106_A      E   106_A     1.054     0    0.088   1.048     5.024   79.286   67.143
LGA    R   107_A      R   107_A     1.038     0    0.036   1.065     3.923   83.690   76.623
LGA    F   108_A      F   108_A     1.264     0    0.088   1.277     4.799   83.690   69.610
LGA    V   109_A      V   109_A     0.927     0    0.039   0.049     0.980   90.476   90.476
LGA    H   110_A      H   110_A     1.155     0    0.069   1.189     4.717   81.429   70.143
LGA    S   111_A      S   111_A     0.845     0    0.016   0.039     0.941   90.476   90.476
LGA    F   112_A      F   112_A     0.438     0    0.090   0.142     0.570   95.238   96.537
LGA    T   113_A      T   113_A     0.429     0    0.080   1.174     2.434   97.619   88.571
LGA    C   114_A      C   114_A     0.281     0    0.035   0.039     0.596   97.619   98.413
LGA    G   115_A      G   115_A     0.249     0    0.682   0.682     2.608   86.905   86.905

# 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):     1.014          1.025                  1.507           90.756   86.566

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.92    94.660    97.573     9.967

LGA_LOCAL      RMSD:   0.923  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.015  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.014  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.484301 * X  +   0.658175 * Y  +  -0.576419 * Z  + -28.607788
  Y_new =  -0.075508 * X  +   0.687824 * Y  +   0.721940 * Z  +  30.475071
  Z_new =   0.871637 * X  +  -0.306112 * Y  +   0.382811 * Z  +   0.206483 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.154665 -1.058533 -0.674523   [DEG:   -8.8617  -60.6495  -38.6473 ]
ZXZ: -2.467809  1.177959  1.908532   [DEG: -141.3950   67.4921  109.3509 ]
 
# END of job
