
#######################################################
#                                                     #
#                        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       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97       6_B - 102_B       0.99     1.86
  LONGEST_CONTINUOUS_SEGMENT:    97       7_B - 103_B       1.00     1.86
  LCS_AVERAGE:     87.61

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     80  106  106      4   33   74   92   95   98  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     81  106  106      4   27   68   92   95   98  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S     4_B     S     4_B     81  106  106      4   46   87   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     81  106  106      9   46   87   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     97  106  106     50   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     97  106  106     70   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     R     8_B     R     8_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     D     9_B     D     9_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     L    10_B     L    10_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     E    11_B     E    11_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V    12_B     V    12_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V    13_B     V    13_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     A    14_B     A    14_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     A    15_B     A    15_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    16_B     T    16_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    17_B     P    17_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    18_B     T    18_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    19_B     S    19_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     L    20_B     L    20_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     L    21_B     L    21_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     I    22_B     I    22_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    23_B     S    23_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     W    24_B     W    24_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     D    25_B     D    25_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     97  106  106     62   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     97  106  106      3   55   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    28_B     P    28_B     97  106  106      3    6   60   90   95   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     97  106  106     17   79   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     97  106  106     38   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V    31_B     V    31_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     R    32_B     R    32_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     R    35_B     R    35_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     I    36_B     I    36_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    37_B     T    37_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     G    39_B     G    39_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     E    40_B     E    40_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    41_B     T    41_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     G    42_B     G    42_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     97  106  106     51   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     97  106  106     51   83   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     97  106  106     51   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    46_B     P    46_B     97  106  106     34   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V    47_B     V    47_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     E    49_B     E    49_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     F    50_B     F    50_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    51_B     T    51_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V    52_B     V    52_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    53_B     P    53_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     G    54_B     G    54_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    55_B     S    55_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     K    56_B     K    56_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    57_B     S    57_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    58_B     T    58_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     A    59_B     A    59_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    60_B     T    60_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     I    61_B     I    61_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    62_B     S    62_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     G    63_B     G    63_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     L    64_B     L    64_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     K    65_B     K    65_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    66_B     P    66_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     G    67_B     G    67_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V    68_B     V    68_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     D    69_B     D    69_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    71_B     T    71_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     I    72_B     I    72_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T    73_B     T    73_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     V    74_B     V    74_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     A    76_B     A    76_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     E    77_B     E    77_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     H    78_B     H    78_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     97  106  106     73   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     97  106  106      3   83   88   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B     97  106  106      3   33   86   91   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     D    82_B     D    82_B     97  106  106      4    7   27   90   95   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    83_B     P    83_B     97  106  106      4   45   87   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    84_B     S    84_B     97  106  106      4    9   18   28   67   97  100  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    85_B     S    85_B     97  106  106      4    5   22   55   95   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    86_B     S    86_B     97  106  106      3   12   36   91   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     97  106  106     64   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     F    89_B     F    89_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    90_B     S    90_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    91_B     S    91_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     K    92_B     K    92_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P    93_B     P    93_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     I    94_B     I    94_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     S    95_B     S    95_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     I    96_B     I    96_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     N    97_B     N    97_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     R    99_B     R    99_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     T   100_B     T   100_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     P   101_B     P   101_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     H   102_B     H   102_B     97  106  106     77   84   89   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     H   103_B     H   103_B     97  106  106      3   70   88   92   96   99  101  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  106  106      3    4    6   15   46   81   97  102  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4  106  106      3    4    6    6    6    7   12   15   22   31   77  101  105  106  106  106  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4  106  106      3    4    7   15   31   71   93   98  103  104  104  105  105  106  106  106  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3  106  106      0    3    3    3    3    4   45   82   99  102  104  105  105  106  106  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  95.87  (  87.61  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     77     84     89     92     96     99    101    102    103    104    104    105    105    106    106    106    106    106    106    106 
GDT PERCENT_AT  72.64  79.25  83.96  86.79  90.57  93.40  95.28  96.23  97.17  98.11  98.11  99.06  99.06 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.26   0.34   0.49   0.61   0.81   0.99   1.08   1.15   1.26   1.42   1.42   1.56   1.56   1.77   1.77   1.77   1.77   1.77   1.77   1.77
GDT RMS_ALL_AT   1.87   1.87   1.85   1.84   1.83   1.83   1.82   1.83   1.81   1.79   1.79   1.78   1.78   1.77   1.77   1.77   1.77   1.77   1.77   1.77

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     3.002     0    0.117   0.117     3.002   57.262   57.262
LGA    V     3_B      V     3_B     3.320     0    0.090   0.288     4.144   51.905   48.299
LGA    S     4_B      S     4_B     2.461     0    0.026   0.640     3.877   62.857   59.921
LGA    D     5_B      D     5_B     2.505     0    0.387   1.249     3.744   55.595   66.667
LGA    V     6_B      V     6_B     1.170     0    0.028   1.047     3.035   85.952   76.054
LGA    P     7_B      P     7_B     0.631     0    0.060   0.166     1.236   90.476   89.184
LGA    R     8_B      R     8_B     0.381     0    0.028   1.314     3.172  100.000   84.675
LGA    D     9_B      D     9_B     0.495     0    0.018   0.811     3.541  100.000   80.119
LGA    L    10_B      L    10_B     0.271     0    0.047   0.060     0.363  100.000  100.000
LGA    E    11_B      E    11_B     0.228     0    0.015   0.136     0.740  100.000   98.942
LGA    V    12_B      V    12_B     0.306     0    0.051   0.067     0.393  100.000  100.000
LGA    V    13_B      V    13_B     0.567     0    0.120   1.100     2.884   97.619   87.279
LGA    A    14_B      A    14_B     0.249     0    0.026   0.029     0.509   97.619   98.095
LGA    A    15_B      A    15_B     0.373     0    0.058   0.067     0.504   97.619   98.095
LGA    T    16_B      T    16_B     0.316     0    0.060   0.115     0.676   97.619   98.639
LGA    P    17_B      P    17_B     0.608     0    0.047   0.062     0.833   92.857   91.837
LGA    T    18_B      T    18_B     0.640     0    0.032   0.115     0.870   90.476   90.476
LGA    S    19_B      S    19_B     0.307     0    0.024   0.666     2.373  100.000   94.127
LGA    L    20_B      L    20_B     0.352     0    0.012   0.098     0.668  100.000   98.810
LGA    L    21_B      L    21_B     0.395     0    0.081   0.101     0.590  100.000   98.810
LGA    I    22_B      I    22_B     0.368     0    0.015   0.095     0.375  100.000  100.000
LGA    S    23_B      S    23_B     0.337     0    0.012   0.074     0.472  100.000  100.000
LGA    W    24_B      W    24_B     0.147     0    0.019   0.066     0.309  100.000  100.000
LGA    D    25_B      D    25_B     0.358     0    0.060   0.063     0.659  100.000   97.619
LGA    A    26_B      A    26_B     0.771     0    0.045   0.057     1.421   85.952   85.048
LGA    P    27_B      P    27_B     1.668     0    0.038   0.117     2.056   70.952   75.510
LGA    P    28_B      P    28_B     3.091     0    0.690   0.599     5.349   45.833   47.687
LGA    Y    29_B      Y    29_B     1.618     0    0.090   1.281     9.307   75.000   45.556
LGA    Y    30_B      Y    30_B     0.957     0    0.018   0.302     1.738   88.214   85.317
LGA    V    31_B      V    31_B     0.263     0    0.019   0.041     0.498  100.000  100.000
LGA    R    32_B      R    32_B     0.060     0    0.041   0.311     1.602  100.000   91.558
LGA    Y    33_B      Y    33_B     0.216     0    0.060   1.416     7.183  100.000   67.619
LGA    Y    34_B      Y    34_B     0.353     0    0.071   0.050     0.537  100.000   99.206
LGA    R    35_B      R    35_B     0.257     0    0.054   1.009     4.291  100.000   90.130
LGA    I    36_B      I    36_B     0.361     0    0.024   0.095     0.591  100.000   98.810
LGA    T    37_B      T    37_B     0.276     0    0.026   0.109     0.701  100.000   98.639
LGA    Y    38_B      Y    38_B     0.156     0    0.013   0.050     0.429  100.000  100.000
LGA    G    39_B      G    39_B     0.241     0    0.028   0.028     0.258  100.000  100.000
LGA    E    40_B      E    40_B     0.390     0    0.076   0.531     1.952   97.619   86.772
LGA    T    41_B      T    41_B     0.235     0    0.055   0.095     0.571   97.619   98.639
LGA    G    42_B      G    42_B     0.695     0    0.208   0.208     1.919   83.810   83.810
LGA    G    43_B      G    43_B     0.791     0    0.138   0.138     0.799   90.476   90.476
LGA    N    44_B      N    44_B     1.541     3    0.040   0.039     1.943   77.143   47.679
LGA    S    45_B      S    45_B     1.185     0    0.086   0.731     2.466   83.690   80.159
LGA    P    46_B      P    46_B     1.412     0    0.033   0.044     1.938   81.429   77.755
LGA    V    47_B      V    47_B     0.689     0    0.025   0.089     1.110   90.476   89.184
LGA    Q    48_B      Q    48_B     0.600     0    0.058   0.679     2.760   95.238   84.921
LGA    E    49_B      E    49_B     0.604     0    0.026   0.189     2.092   90.476   83.651
LGA    F    50_B      F    50_B     0.449     0    0.027   0.082     0.544   97.619   99.134
LGA    T    51_B      T    51_B     0.302     0    0.024   0.085     0.752  100.000   97.279
LGA    V    52_B      V    52_B     0.068     0    0.059   1.284     2.607  100.000   88.844
LGA    P    53_B      P    53_B     0.140     0    0.016   0.032     0.313  100.000  100.000
LGA    G    54_B      G    54_B     0.165     0    0.012   0.012     0.410  100.000  100.000
LGA    S    55_B      S    55_B     0.484     0    0.019   0.019     0.587   97.619   98.413
LGA    K    56_B      K    56_B     0.400     0    0.019   0.567     1.892  100.000   93.968
LGA    S    57_B      S    57_B     0.400     0    0.038   0.094     0.421  100.000  100.000
LGA    T    58_B      T    58_B     0.283     0    0.015   0.040     0.463  100.000  100.000
LGA    A    59_B      A    59_B     0.311     0    0.029   0.036     0.526   97.619   98.095
LGA    T    60_B      T    60_B     0.333     0    0.058   0.065     0.572  100.000   98.639
LGA    I    61_B      I    61_B     0.368     0    0.038   0.080     0.472  100.000  100.000
LGA    S    62_B      S    62_B     0.654     0    0.023   0.030     1.056   92.857   90.556
LGA    G    63_B      G    63_B     0.626     0    0.026   0.026     0.734   90.476   90.476
LGA    L    64_B      L    64_B     0.573     0    0.027   0.059     0.702   90.476   91.667
LGA    K    65_B      K    65_B     0.566     2    0.023   0.053     0.604   92.857   71.429
LGA    P    66_B      P    66_B     0.396     0    0.031   0.055     0.459  100.000  100.000
LGA    G    67_B      G    67_B     0.382     0    0.048   0.048     0.508   97.619   97.619
LGA    V    68_B      V    68_B     0.298     0    0.016   0.040     0.445  100.000  100.000
LGA    D    69_B      D    69_B     0.138     0    0.030   0.589     1.973  100.000   93.095
LGA    Y    70_B      Y    70_B     0.070     0    0.017   0.169     0.599  100.000   98.413
LGA    T    71_B      T    71_B     0.266     0    0.062   0.069     0.330  100.000  100.000
LGA    I    72_B      I    72_B     0.242     0    0.040   0.278     0.984  100.000   98.810
LGA    T    73_B      T    73_B     0.281     0    0.028   0.033     0.292  100.000  100.000
LGA    V    74_B      V    74_B     0.274     0    0.006   0.039     0.336  100.000  100.000
LGA    Y    75_B      Y    75_B     0.362     0    0.067   0.118     0.753  100.000   96.032
LGA    A    76_B      A    76_B     0.267     0    0.060   0.059     0.370  100.000  100.000
LGA    E    77_B      E    77_B     0.220     0    0.049   0.785     4.078  100.000   83.492
LGA    H    78_B      H    78_B     0.438     0    0.131   0.265     0.957   97.619   93.333
LGA    P    79_B      P    79_B     0.515     0    0.026   0.259     1.660   90.595   88.027
LGA    Y    80_B      Y    80_B     1.542     0    0.081   1.024     4.853   72.976   61.905
LGA    Y    81_B      Y    81_B     2.704     0    0.069   1.330    12.109   53.810   29.325
LGA    D    82_B      D    82_B     3.308     0    0.150   0.732     5.384   57.262   46.607
LGA    P    83_B      P    83_B     2.044     0    0.030   0.266     2.913   60.952   60.408
LGA    S    84_B      S    84_B     4.155     0    0.131   0.124     5.568   41.905   35.873
LGA    S    85_B      S    85_B     3.455     0    0.030   0.053     3.564   53.810   52.540
LGA    S    86_B      S    86_B     2.487     0    0.023   0.025     3.017   71.190   65.317
LGA    Y    87_B      Y    87_B     0.574     0    0.110   0.310     2.188   88.214   77.302
LGA    Y    88_B      Y    88_B     0.603     0    0.008   1.434     7.825   95.238   62.500
LGA    F    89_B      F    89_B     0.428     0    0.036   0.155     1.172  100.000   93.160
LGA    S    90_B      S    90_B     0.615     0    0.042   0.603     1.574   90.476   87.540
LGA    S    91_B      S    91_B     0.775     0    0.025   0.032     0.775   90.476   90.476
LGA    K    92_B      K    92_B     0.685     0    0.041   0.132     2.423   95.238   83.915
LGA    P    93_B      P    93_B     0.263     0    0.045   0.085     0.682  100.000   95.918
LGA    I    94_B      I    94_B     0.300     0    0.053   0.084     0.463  100.000  100.000
LGA    S    95_B      S    95_B     0.508     0    0.035   0.680     2.048   97.619   90.952
LGA    I    96_B      I    96_B     0.384     0    0.010   0.067     0.546  100.000   98.810
LGA    N    97_B      N    97_B     0.232     0    0.056   0.074     0.605  100.000   98.810
LGA    Y    98_B      Y    98_B     0.240     0    0.007   0.027     0.301  100.000  100.000
LGA    R    99_B      R    99_B     0.348     3    0.019   0.156     0.442  100.000   72.727
LGA    T   100_B      T   100_B     0.339     0    0.024   0.091     0.576   97.619   95.918
LGA    P   101_B      P   101_B     0.404     0    0.000   0.300     1.146   95.238   94.626
LGA    H   102_B      H   102_B     0.749     0    0.614   1.228     2.720   82.143   79.381
LGA    H   103_B      H   103_B     2.068     0    0.098   0.530     8.500   51.786   31.810
LGA    H   104_B      H   104_B     5.365     5    0.121   0.154     5.905   33.690   15.619
LGA    H   105_B      H   105_B     9.446     0    0.620   1.278    16.803    4.524    1.810
LGA    H   106_B      H   106_B     7.034     0    0.036   1.035     7.724    9.286    9.476
LGA    H   107_B      H   107_B     7.274     0    0.030   0.362     9.305    8.571    6.571

# 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):     1.772          1.757                  2.512           88.011   83.299

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    102    1.15    90.566    94.389     8.160

LGA_LOCAL      RMSD:   1.150  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.831  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   1.772  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.587167 * X  +  -0.151862 * Y  +   0.795093 * Z  +  16.706173
  Y_new =   0.770849 * X  +   0.194863 * Y  +   0.606482 * Z  +  18.163515
  Z_new =  -0.247036 * X  +   0.969003 * Y  +   0.002646 * Z  +  53.578014 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.221752  0.249620  1.568066   [DEG:  127.2970   14.3022   89.8436 ]
ZXZ:  2.222427  1.568151 -0.249621   [DEG:  127.3357   89.8484  -14.3022 ]
 
# END of job
