
#######################################################
#                                                     #
#                        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       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      19_A - 115_A       0.92     1.09
  LCS_AVERAGE:     93.89

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   77   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     92  103  103     31   83   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     92  103  103     31   85   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     92  103  103     23   85   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     92  103  103      3   81   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     92  103  103      2    3    8   13   57   95   98  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     97  103  103      3    3   47   97  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     97  103  103      3   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     97  103  103     58   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     97  103  103     47   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     97  103  103     30   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     97  103  103     61   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     97  103  103     58   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     97  103  103     40   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     97  103  103     14   78   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     97  103  103     58   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     97  103  103     58   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     97  103  103     58   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     97  103  103     30   83   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     97  103  103     54   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     97  103  103     46   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     97  103  103     27   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     97  103  103     27   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     97  103  103      7   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     97  103  103     53   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     97  103  103     37   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     97  103  103     37   85   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     97  103  103     30   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     97  103  103     54   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     97  103  103     34   70   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     97  103  103      3   44   85   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     97  103  103      3    5   84   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     97  103  103      3    5    5    5   15   82   89  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     97  103  103      9   67   95   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     97  103  103      8   81   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     97  103  103     43   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     97  103  103     64   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     97  103  103     43   86   96   99  101  101  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.96  (  93.89  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     64     86     96     99    101    101    101    102    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  62.14  83.50  93.20  96.12  98.06  98.06  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
GDT RMS_LOCAL    0.32   0.47   0.61   0.72   0.79   0.79   0.79   0.94   0.94   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08
GDT RMS_ALL_AT   1.15   1.13   1.10   1.09   1.09   1.09   1.09   1.09   1.09   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   108_A      F   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.361     0    0.557   0.557     2.520   75.357   75.357
LGA    W    14_A      W    14_A     1.155     0    0.048   0.163     1.599   81.429   82.789
LGA    Q    15_A      Q    15_A     1.059     0    0.034   1.062     3.545   88.214   83.228
LGA    K    16_A      K    16_A     1.187     0    0.309   0.764     2.926   77.262   77.037
LGA    K    17_A      K    17_A     1.696     0    0.089   1.148     5.093   55.952   52.857
LGA    T    18_A      T    18_A     5.136     0    0.026   0.186     9.815   31.548   19.524
LGA    P    19_A      P    19_A     2.571     0    0.069   0.344     3.208   63.214   60.680
LGA    V    20_A      V    20_A     1.027     0    0.103   0.131     1.520   83.810   86.667
LGA    D    21_A      D    21_A     0.526     0    0.081   0.988     3.435   92.857   79.107
LGA    N    22_A      N    22_A     0.478     0    0.054   0.118     0.907   95.238   92.857
LGA    E    23_A      E    23_A     0.178     0    0.066   0.878     5.914  100.000   70.159
LGA    Q    24_A      Q    24_A     0.729     0    0.030   0.723     4.550   90.476   72.857
LGA    Y    25_A      Y    25_A     0.896     0    0.046   0.761     3.811   90.476   72.460
LGA    K    26_A      K    26_A     0.651     0    0.026   0.842     3.995   92.857   74.392
LGA    E    27_A      E    27_A     0.233     0    0.052   1.300     6.271  100.000   72.063
LGA    L    28_A      L    28_A     0.141     0    0.025   0.096     0.653  100.000   97.619
LGA    A    29_A      A    29_A     0.240     0    0.025   0.031     0.330  100.000  100.000
LGA    H    30_A      H    30_A     0.218     0    0.036   0.102     0.470  100.000  100.000
LGA    F    31_A      F    31_A     0.159     0    0.071   0.238     0.669  100.000   97.403
LGA    A    32_A      A    32_A     0.303     0    0.042   0.038     0.414  100.000  100.000
LGA    V    33_A      V    33_A     0.238     0    0.040   1.280     2.599  100.000   88.844
LGA    S    34_A      S    34_A     0.240     0    0.024   0.067     0.491  100.000  100.000
LGA    K    35_A      K    35_A     0.534     0    0.017   0.351     2.808   97.619   86.032
LGA    Q    36_A      Q    36_A     0.534     0    0.028   0.226     1.419   92.857   89.524
LGA    V    37_A      V    37_A     0.791     0    0.045   0.075     0.960   90.476   90.476
LGA    E    38_A      E    38_A     1.349     0    0.038   1.081     6.092   85.952   59.048
LGA    G    39_A      G    39_A     0.461     0    0.016   0.016     0.759   97.619   97.619
LGA    R    40_A      R    40_A     0.346     0    0.039   0.124     0.692  100.000   96.537
LGA    E    41_A      E    41_A     0.211     0    0.081   0.236     1.137  100.000   93.704
LGA    F    42_A      F    42_A     0.117     0    0.046   0.054     0.582  100.000   98.268
LGA    F    43_A      F    43_A     0.202     0    0.036   0.112     0.249  100.000  100.000
LGA    D    44_A      D    44_A     0.201     0    0.050   0.132     0.785  100.000   96.429
LGA    T    45_A      T    45_A     0.170     0    0.047   0.098     0.421  100.000  100.000
LGA    V    46_A      V    46_A     0.357     0    0.016   0.038     0.608  100.000   98.639
LGA    L    47_A      L    47_A     0.315     0    0.046   0.095     0.407  100.000  100.000
LGA    E    48_A      E    48_A     0.387     0    0.037   0.152     0.436  100.000  100.000
LGA    V    49_A      V    49_A     0.316     0    0.055   0.080     0.538  100.000   98.639
LGA    T    50_A      T    50_A     0.314     0    0.047   1.130     2.615  100.000   88.639
LGA    D    51_A      D    51_A     0.391     0    0.049   1.011     4.679  100.000   81.667
LGA    V    52_A      V    52_A     0.333     0    0.055   0.140     0.519   97.619   97.279
LGA    E    53_A      E    53_A     0.324     0    0.050   0.726     2.920  100.000   87.249
LGA    T    54_A      T    54_A     0.283     0    0.071   0.116     0.327  100.000  100.000
LGA    Q    55_A      Q    55_A     0.270     0    0.040   0.507     1.906  100.000   90.794
LGA    V    56_A      V    56_A     0.469     0    0.061   0.093     0.746   97.619   95.918
LGA    V    57_A      V    57_A     0.984     0    0.054   1.210     2.993   90.476   82.041
LGA    A    58_A      A    58_A     1.258     0    0.530   0.536     3.431   71.429   75.238
LGA    G    59_A      G    59_A     0.933     0    0.019   0.019     1.075   88.214   88.214
LGA    T    60_A      T    60_A     0.466     0    0.035   0.136     0.700   97.619   95.918
LGA    N    61_A      N    61_A     0.372     0    0.039   0.080     0.458  100.000  100.000
LGA    Y    62_A      Y    62_A     0.261     0    0.035   0.131     0.466  100.000  100.000
LGA    R    63_A      R    63_A     0.397     0    0.020   1.004     4.293  100.000   82.727
LGA    I    64_A      I    64_A     0.401     0    0.019   0.592     1.501   97.619   90.714
LGA    T    65_A      T    65_A     0.299     0    0.040   0.085     0.464  100.000  100.000
LGA    F    66_A      F    66_A     0.253     0    0.014   0.086     0.751  100.000   96.537
LGA    K    67_A      K    67_A     0.381     0    0.015   0.167     1.278  100.000   93.704
LGA    I    68_A      I    68_A     0.304     0    0.039   0.092     0.698  100.000   97.619
LGA    A    69_A      A    69_A     0.672     0    0.045   0.052     0.936   95.238   94.286
LGA    E    70_A      E    70_A     0.205     0    0.038   0.692     2.314  100.000   86.138
LGA    S    71_A      S    71_A     0.038     0    0.042   0.132     0.480  100.000  100.000
LGA    T    72_A      T    72_A     0.311     0    0.068   0.076     0.682  100.000   95.918
LGA    C    73_A      C    73_A     0.163     0    0.087   0.095     0.333  100.000  100.000
LGA    R    74_A      R    74_A     0.730     0    0.128   1.454     5.545   83.810   67.706
LGA    V    75_A      V    75_A     0.939     0    0.063   1.207     2.780   85.952   78.367
LGA    T    76_A      T    76_A     1.014     0    0.225   0.325     1.539   83.810   81.565
LGA    E    77_A      E    77_A     0.657     0    0.122   0.638     2.154   92.857   84.762
LGA    T    78_A      T    78_A     0.359     0    0.020   0.044     0.481  100.000  100.000
LGA    Y    79_A      Y    79_A     0.483     0    0.052   0.096     0.719   95.238   96.032
LGA    S    80_A      S    80_A     0.789     0    0.066   0.553     1.172   92.857   89.048
LGA    K    81_A      K    81_A     1.064     0    0.042   0.234     1.754   83.690   81.481
LGA    E    82_A      E    82_A     1.212     0    0.126   1.328     4.120   83.690   69.894
LGA    T    83_A      T    83_A     0.446     0    0.107   1.056     2.162   95.238   87.007
LGA    C    84_A      C    84_A     0.196     0    0.115   0.118     0.524   97.619   98.413
LGA    L    85_A      L    85_A     0.261     0    0.041   0.136     1.211  100.000   95.298
LGA    P    86_A      P    86_A     0.116     0    0.049   0.051     0.349  100.000  100.000
LGA    K    87_A      K    87_A     0.212     0    0.035   0.744     4.703  100.000   77.566
LGA    T    88_A      T    88_A     0.232     0    0.028   0.097     0.545  100.000   98.639
LGA    R    89_A      R    89_A     0.577     6    0.084   0.081     0.747   92.857   41.991
LGA    D    90_A      D    90_A     0.544     0    0.031   0.117     1.086   95.238   90.595
LGA    V    91_A      V    91_A     0.251     0    0.028   0.050     0.564   97.619   98.639
LGA    K    92_A      K    92_A     0.656     0    0.190   0.861     7.199   95.238   64.339
LGA    S    93_A      S    93_A     0.622     0    0.090   0.614     1.414   97.619   93.730
LGA    T    94_A      T    94_A     0.387     0    0.042   0.116     0.721  100.000   95.918
LGA    C    95_A      C    95_A     0.175     0    0.040   0.091     0.287  100.000  100.000
LGA    T    96_A      T    96_A     0.633     0    0.027   0.047     0.869   95.238   93.197
LGA    A    97_A      A    97_A     0.680     0    0.029   0.037     0.753   95.238   94.286
LGA    V    98_A      V    98_A     0.723     0    0.013   0.027     0.751   90.476   90.476
LGA    I    99_A      I    99_A     0.782     0    0.026   0.557     1.478   92.857   90.536
LGA    T   100_A      T   100_A     0.778     0    0.019   0.063     0.824   90.476   90.476
LGA    E   101_A      E   101_A     0.681     0    0.116   0.759     2.343   90.476   84.656
LGA    P   102_A      P   102_A     1.500     0    0.117   0.127     1.636   81.548   80.340
LGA    L   103_A      L   103_A     2.459     0    0.390   1.356     5.547   66.786   59.643
LGA    N   104_A      N   104_A     2.305     0    0.135   1.060     4.619   50.595   51.607
LGA    N   105_A      N   105_A     5.670     0    0.567   1.095    11.784   36.310   18.750
LGA    E   106_A      E   106_A     2.138     0    0.025   0.988     8.428   55.714   35.503
LGA    R   107_A      R   107_A     1.188     0    0.102   0.887     2.811   85.952   74.848
LGA    F   108_A      F   108_A     0.856     0    0.127   1.213     5.522   88.214   67.749
LGA    V   109_A      V   109_A     0.555     0    0.045   0.079     0.642   90.476   93.197
LGA    H   110_A      H   110_A     0.793     0    0.092   0.124     1.396   90.476   85.952
LGA    S   111_A      S   111_A     0.610     0    0.021   0.036     0.722   95.238   93.651
LGA    F   112_A      F   112_A     0.346     0    0.052   0.156     0.661   97.619   97.403
LGA    T   113_A      T   113_A     0.375     0    0.055   0.972     2.846   97.619   88.639
LGA    C   114_A      C   114_A     0.216     0    0.043   0.098     0.865   95.238   96.825
LGA    G   115_A      G   115_A     0.927     0    0.692   0.692     3.291   78.095   78.095

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     1.082          1.117                  1.847           91.816   85.808

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.94    94.660    97.462     9.825

LGA_LOCAL      RMSD:   0.938  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.088  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.082  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.878256 * X  +   0.192459 * Y  +   0.437752 * Z  + -48.012966
  Y_new =   0.032523 * X  +  -0.937352 * Y  +   0.346861 * Z  +  45.013420
  Z_new =   0.477084 * X  +  -0.290396 * Y  +  -0.829494 * Z  +  11.647768 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.037014 -0.497334 -2.804839   [DEG:    2.1207  -28.4951 -160.7055 ]
ZXZ:  2.240868  2.548998  2.117581   [DEG:  128.3923  146.0468  121.3284 ]
 
# END of job
