
#######################################################
#                                                     #
#                        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  107 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       2.36     2.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       2_B - 104_B       1.87     2.41
  LCS_AVERAGE:     94.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       2_B - 80_B        1.00     2.46
  LCS_AVERAGE:     59.54

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     2_B     G     2_B     79  103  106      5   25   64   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     79  103  106      6   22   64   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S     4_B     S     4_B     79  103  106      6   22   65   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     79  103  106      9   44   85   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     79  103  106     42   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     79  103  106     66   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R     8_B     R     8_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D     9_B     D     9_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    10_B     L    10_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    11_B     E    11_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    12_B     V    12_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    13_B     V    13_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    14_B     A    14_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    15_B     A    15_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    16_B     T    16_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    17_B     P    17_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    18_B     T    18_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    19_B     S    19_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    20_B     L    20_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    21_B     L    21_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    22_B     I    22_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    23_B     S    23_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     W    24_B     W    24_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D    25_B     D    25_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     79  103  106     49   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     79  103  106      7   67   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    28_B     P    28_B     79  103  106      3   21   64   88   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     79  103  106     11   67   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     79  103  106     35   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    31_B     V    31_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R    32_B     R    32_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R    35_B     R    35_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    36_B     I    36_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    37_B     T    37_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    39_B     G    39_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    40_B     E    40_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    41_B     T    41_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    42_B     G    42_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     79  103  106     63   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     79  103  106     25   79   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     79  103  106     12   43   85   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    46_B     P    46_B     79  103  106      4   28   77   88   93   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    47_B     V    47_B     79  103  106     60   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    49_B     E    49_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     F    50_B     F    50_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    51_B     T    51_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    52_B     V    52_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    53_B     P    53_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    54_B     G    54_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    55_B     S    55_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     K    56_B     K    56_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    57_B     S    57_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    58_B     T    58_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    59_B     A    59_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    60_B     T    60_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    61_B     I    61_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    62_B     S    62_B     79  103  106     69   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    63_B     G    63_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    64_B     L    64_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     K    65_B     K    65_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    66_B     P    66_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    67_B     G    67_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    68_B     V    68_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D    69_B     D    69_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    71_B     T    71_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    72_B     I    72_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    73_B     T    73_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    74_B     V    74_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    76_B     A    76_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    77_B     E    77_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H    78_B     H    78_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     79  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     79  103  106     63   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B     78  103  106      3    5   24   87   91   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D    82_B     D    82_B      8  103  106      4    6    9   18   44   87   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    83_B     P    83_B      8  103  106      4    6    8   10   17   31   76   97  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    84_B     S    84_B      8  103  106      4    6    8   10   12   16   24   38   54   72   98  102  102  102  103  105  106  106  106  106 
LCS_GDT     S    85_B     S    85_B      8  103  106      4    6   15   35   61   93   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    86_B     S    86_B     18  103  106      3    6   24   80   93   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     18  103  106     24   78   86   89   93   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B     18  103  106     59   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     F    89_B     F    89_B     18  103  106     66   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    90_B     S    90_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    91_B     S    91_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     K    92_B     K    92_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    93_B     P    93_B     18  103  106     61   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    94_B     I    94_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    95_B     S    95_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    96_B     I    96_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     N    97_B     N    97_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R    99_B     R    99_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T   100_B     T   100_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P   101_B     P   101_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   102_B     H   102_B     18  103  106     71   83   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   103_B     H   103_B     18  103  106      3   47   86   89   94   96   98  100  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  103  106      3    4    7   20   40   74   93   97   99   99  100  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4    6  106      3    4    6    6    7    8   12   18   20   25   44   82  102  103  105  105  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4    6  106      3    4    7   11   21   43   83   96   98   99  100  101  103  103  105  105  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3    3  106      0    3    3    3    3    7   21   69   96   99  100  101  102  103  105  105  106  106  106  106 
LCS_AVERAGE  LCS_A:  84.70  (  59.54   94.55  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     71     83     86     89     94     96     98    100    101    101    101    102    103    103    105    105    106    106    106    106 
GDT PERCENT_AT  66.98  78.30  81.13  83.96  88.68  90.57  92.45  94.34  95.28  95.28  95.28  96.23  97.17  97.17  99.06  99.06 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.40   0.48   0.59   0.93   0.98   1.10   1.40   1.54   1.54   1.54   1.65   1.82   1.82   2.18   2.18   2.36   2.36   2.36   2.36
GDT RMS_ALL_AT   2.47   2.45   2.46   2.45   2.43   2.43   2.41   2.41   2.42   2.42   2.42   2.40   2.38   2.38   2.37   2.37   2.36   2.36   2.36   2.36

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  E    77_B      E    77_B
#   possible swapping detected:  F    89_B      F    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     3.167     0    0.224   0.224     4.117   50.357   50.357
LGA    V     3_B      V     3_B     3.478     0    0.070   0.557     4.073   50.119   47.279
LGA    S     4_B      S     4_B     2.954     0    0.028   0.655     3.931   55.357   53.651
LGA    D     5_B      D     5_B     2.548     0    0.468   1.281     3.764   55.595   65.476
LGA    V     6_B      V     6_B     0.962     0    0.033   1.030     3.011   90.595   78.707
LGA    P     7_B      P     7_B     0.509     0    0.101   0.168     1.084   92.857   91.905
LGA    R     8_B      R     8_B     0.454     0    0.025   1.303     3.225   95.238   81.429
LGA    D     9_B      D     9_B     0.811     0    0.023   0.961     4.570   90.476   71.012
LGA    L    10_B      L    10_B     0.522     0    0.063   0.056     0.673   90.476   95.238
LGA    E    11_B      E    11_B     0.476     0    0.033   0.668     2.847   95.238   81.376
LGA    V    12_B      V    12_B     0.590     0    0.094   0.120     0.775   90.476   90.476
LGA    V    13_B      V    13_B     0.938     0    0.121   1.113     3.498   92.857   84.762
LGA    A    14_B      A    14_B     0.699     0    0.026   0.037     0.787   90.476   90.476
LGA    A    15_B      A    15_B     0.566     0    0.073   0.079     0.771   90.476   90.476
LGA    T    16_B      T    16_B     0.656     0    0.030   0.073     0.768   90.476   90.476
LGA    P    17_B      P    17_B     0.801     0    0.064   0.076     1.236   90.476   87.891
LGA    T    18_B      T    18_B     0.707     0    0.029   0.096     1.125   90.476   89.184
LGA    S    19_B      S    19_B     0.440     0    0.015   0.656     2.528   97.619   91.270
LGA    L    20_B      L    20_B     0.400     0    0.028   0.107     0.464  100.000  100.000
LGA    L    21_B      L    21_B     0.534     0    0.043   0.072     0.579   92.857   92.857
LGA    I    22_B      I    22_B     0.500     0    0.029   0.059     0.545   95.238   97.619
LGA    S    23_B      S    23_B     0.475     0    0.007   0.015     0.705  100.000   96.825
LGA    W    24_B      W    24_B     0.399     0    0.086   0.095     0.496  100.000  100.000
LGA    D    25_B      D    25_B     0.656     0    0.081   0.201     1.022   95.238   91.726
LGA    A    26_B      A    26_B     0.764     0    0.025   0.030     1.437   85.952   85.048
LGA    P    27_B      P    27_B     1.690     0    0.053   0.118     2.145   70.952   75.510
LGA    P    28_B      P    28_B     3.353     0    0.701   0.581     5.609   42.976   45.102
LGA    Y    29_B      Y    29_B     1.804     0    0.068   1.270     9.830   72.857   43.333
LGA    Y    30_B      Y    30_B     1.065     0    0.068   0.359     1.756   85.952   84.563
LGA    V    31_B      V    31_B     0.301     0    0.045   0.093     0.526   97.619   98.639
LGA    R    32_B      R    32_B     0.329     0    0.043   0.509     2.860   97.619   86.926
LGA    Y    33_B      Y    33_B     0.411     0    0.041   1.382     7.274  100.000   67.976
LGA    Y    34_B      Y    34_B     0.390     0    0.046   0.108     0.562   95.238   98.413
LGA    R    35_B      R    35_B     0.474     0    0.018   1.053     4.803   97.619   83.030
LGA    I    36_B      I    36_B     0.420     0    0.009   0.105     0.611  100.000   98.810
LGA    T    37_B      T    37_B     0.487     0    0.031   0.133     0.946  100.000   95.918
LGA    Y    38_B      Y    38_B     0.371     0    0.054   0.057     0.640   97.619   96.825
LGA    G    39_B      G    39_B     0.307     0    0.024   0.024     0.314  100.000  100.000
LGA    E    40_B      E    40_B     0.361     0    0.075   0.548     2.240   97.619   85.979
LGA    T    41_B      T    41_B     0.323     0    0.087   0.128     0.324  100.000  100.000
LGA    G    42_B      G    42_B     0.586     0    0.203   0.203     1.741   86.071   86.071
LGA    G    43_B      G    43_B     0.868     0    0.085   0.085     1.043   88.214   88.214
LGA    N    44_B      N    44_B     2.040     3    0.037   0.037     2.678   64.881   40.536
LGA    S    45_B      S    45_B     2.227     0    0.034   0.701     3.351   68.810   65.000
LGA    P    46_B      P    46_B     2.909     0    0.087   0.093     4.007   60.952   52.517
LGA    V    47_B      V    47_B     1.224     0    0.071   1.161     2.758   79.286   74.354
LGA    Q    48_B      Q    48_B     0.860     0    0.035   1.051     3.197   92.857   83.069
LGA    E    49_B      E    49_B     0.739     0    0.027   0.194     1.878   90.476   83.598
LGA    F    50_B      F    50_B     0.599     0    0.024   0.069     0.647   95.238   97.403
LGA    T    51_B      T    51_B     0.368     0    0.080   0.141     0.853   97.619   94.558
LGA    V    52_B      V    52_B     0.229     0    0.056   1.310     2.799  100.000   88.844
LGA    P    53_B      P    53_B     0.294     0    0.036   0.048     0.491  100.000  100.000
LGA    G    54_B      G    54_B     0.220     0    0.028   0.028     0.513   97.619   97.619
LGA    S    55_B      S    55_B     0.626     0    0.062   0.057     0.719   95.238   93.651
LGA    K    56_B      K    56_B     0.524     0    0.032   0.598     2.251   90.476   86.878
LGA    S    57_B      S    57_B     0.493     0    0.038   0.165     0.559   95.238   96.825
LGA    T    58_B      T    58_B     0.476     0    0.033   0.050     0.809  100.000   95.918
LGA    A    59_B      A    59_B     0.425     0    0.052   0.063     0.500  100.000  100.000
LGA    T    60_B      T    60_B     0.426     0    0.059   0.071     0.643  100.000   97.279
LGA    I    61_B      I    61_B     0.439     0    0.060   0.132     0.748   95.238   97.619
LGA    S    62_B      S    62_B     0.908     0    0.018   0.649     1.431   90.476   87.460
LGA    G    63_B      G    63_B     0.729     0    0.048   0.048     0.839   90.476   90.476
LGA    L    64_B      L    64_B     0.522     0    0.047   0.058     0.731   90.476   95.238
LGA    K    65_B      K    65_B     0.368     2    0.044   0.087     0.448  100.000   77.778
LGA    P    66_B      P    66_B     0.338     0    0.045   0.066     0.401  100.000  100.000
LGA    G    67_B      G    67_B     0.383     0    0.083   0.083     0.510   97.619   97.619
LGA    V    68_B      V    68_B     0.240     0    0.016   0.059     0.354  100.000  100.000
LGA    D    69_B      D    69_B     0.241     0    0.028   0.578     1.590  100.000   94.286
LGA    Y    70_B      Y    70_B     0.315     0    0.038   0.090     0.400  100.000  100.000
LGA    T    71_B      T    71_B     0.518     0    0.033   0.058     0.671   92.857   91.837
LGA    I    72_B      I    72_B     0.472     0    0.017   0.112     0.653   97.619   96.429
LGA    T    73_B      T    73_B     0.474     0    0.031   0.039     0.521   97.619   98.639
LGA    V    74_B      V    74_B     0.385     0    0.024   0.043     0.488  100.000  100.000
LGA    Y    75_B      Y    75_B     0.569     0    0.089   0.090     1.122   97.619   90.595
LGA    A    76_B      A    76_B     0.267     0    0.084   0.090     0.460  100.000  100.000
LGA    E    77_B      E    77_B     0.223     0    0.055   0.784     4.292  100.000   82.434
LGA    H    78_B      H    78_B     0.414     0    0.102   0.284     0.909   97.619   93.333
LGA    P    79_B      P    79_B     0.275     0    0.019   0.300     1.592   97.619   94.762
LGA    Y    80_B      Y    80_B     0.890     0    0.640   0.423     1.889   86.071   89.008
LGA    Y    81_B      Y    81_B     3.405     0    0.217   1.227    14.025   43.929   19.444
LGA    D    82_B      D    82_B     6.236     0    0.112   0.174     9.447   22.738   13.512
LGA    P    83_B      P    83_B     6.691     0    0.042   0.078     8.111   11.190    9.932
LGA    S    84_B      S    84_B     9.243     0    0.188   0.178    11.278    3.929    2.619
LGA    S    85_B      S    85_B     5.708     0    0.124   0.157     6.862   27.262   27.778
LGA    S    86_B      S    86_B     2.646     0    0.057   0.055     3.605   65.833   66.825
LGA    Y    87_B      Y    87_B     1.481     0    0.163   0.358     6.002   81.429   49.960
LGA    Y    88_B      Y    88_B     0.869     0    0.044   1.482     7.275   90.595   63.730
LGA    F    89_B      F    89_B     0.466     0    0.166   1.249     5.265  100.000   75.065
LGA    S    90_B      S    90_B     0.196     0    0.099   0.681     1.937   97.619   93.889
LGA    S    91_B      S    91_B     0.389     0    0.048   0.062     0.469  100.000  100.000
LGA    K    92_B      K    92_B     0.424     0    0.051   0.109     2.112   97.619   86.825
LGA    P    93_B      P    93_B     0.652     0    0.024   0.048     1.130   90.476   87.891
LGA    I    94_B      I    94_B     0.463     0    0.050   0.081     0.570   95.238   96.429
LGA    S    95_B      S    95_B     0.714     0    0.059   0.641     2.293   90.476   86.190
LGA    I    96_B      I    96_B     0.637     0    0.051   0.092     0.720   92.857   94.048
LGA    N    97_B      N    97_B     0.592     0    0.053   0.074     0.885   90.476   90.476
LGA    Y    98_B      Y    98_B     0.455     0    0.031   0.103     0.723  100.000   96.032
LGA    R    99_B      R    99_B     0.571     3    0.049   0.376     1.832   90.476   64.199
LGA    T   100_B      T   100_B     0.607     0    0.042   0.058     0.716   90.476   90.476
LGA    P   101_B      P   101_B     0.685     0    0.045   0.325     1.555   90.476   87.959
LGA    H   102_B      H   102_B     0.932     0    0.619   1.220     2.733   82.143   78.429
LGA    H   103_B      H   103_B     2.227     0    0.182   0.708     8.572   48.571   32.333
LGA    H   104_B      H   104_B     5.927     5    0.242   0.286     6.414   28.333   13.048
LGA    H   105_B      H   105_B    10.076     0    0.612   1.491    17.410    1.429    0.571
LGA    H   106_B      H   106_B     8.270     0    0.112   0.668     9.851    3.333    4.190
LGA    H   107_B      H   107_B     9.020     0    0.072   1.319    10.839    1.190    1.381

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     2.364          2.352                  3.054           83.938   79.147

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    100    1.40    88.915    91.389     6.650

LGA_LOCAL      RMSD:   1.404  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.406  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.364  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.469441 * X  +   0.556663 * Y  +   0.685384 * Z  +  16.609861
  Y_new =  -0.818779 * X  +   0.016100 * Y  +  -0.573884 * Z  +  16.474237
  Z_new =  -0.330494 * X  +  -0.830582 * Y  +   0.448226 * Z  +  52.567638 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.091385  0.336827 -1.075932   [DEG: -119.8275   19.2988  -61.6464 ]
ZXZ:  0.873712  1.106016 -2.762892   [DEG:   50.0600   63.3701 -158.3021 ]
 
# END of job
