
#######################################################
#                                                     #
#                        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       2.30     2.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       2_B - 104_B       1.80     2.35
  LCS_AVERAGE:     95.40

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       2_B - 80_B        0.93     2.40
  LONGEST_CONTINUOUS_SEGMENT:    79       3_B - 81_B        0.97     2.38
  LCS_AVERAGE:     59.55

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   31   70   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     79  103  106      7   31   70   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S     4_B     S     4_B     79  103  106      5   40   83   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     79  103  106     13   44   85   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     79  103  106     45   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     79  103  106     70   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R     8_B     R     8_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D     9_B     D     9_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    10_B     L    10_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    11_B     E    11_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    12_B     V    12_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    13_B     V    13_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    14_B     A    14_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    15_B     A    15_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    16_B     T    16_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    17_B     P    17_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    18_B     T    18_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    19_B     S    19_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    20_B     L    20_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    21_B     L    21_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    22_B     I    22_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    23_B     S    23_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     W    24_B     W    24_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D    25_B     D    25_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     79  103  106     59   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     79  103  106     13   68   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    28_B     P    28_B     79  103  106      3    4   61   90   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     79  103  106     13   75   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     79  103  106     12   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    31_B     V    31_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R    32_B     R    32_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R    35_B     R    35_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    36_B     I    36_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    37_B     T    37_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    39_B     G    39_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    40_B     E    40_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    41_B     T    41_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    42_B     G    42_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     79  103  106     73   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     79  103  106     31   81   86   90   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     79  103  106     10   66   86   90   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    46_B     P    46_B     79  103  106      4   31   84   88   94   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    47_B     V    47_B     79  103  106     64   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    49_B     E    49_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     F    50_B     F    50_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    51_B     T    51_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    52_B     V    52_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    53_B     P    53_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    54_B     G    54_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    55_B     S    55_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     K    56_B     K    56_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    57_B     S    57_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    58_B     T    58_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    59_B     A    59_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    60_B     T    60_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    61_B     I    61_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    62_B     S    62_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    63_B     G    63_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    64_B     L    64_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     K    65_B     K    65_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    66_B     P    66_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    67_B     G    67_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    68_B     V    68_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D    69_B     D    69_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    71_B     T    71_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    72_B     I    72_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    73_B     T    73_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    74_B     V    74_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    76_B     A    76_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    77_B     E    77_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     H    78_B     H    78_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     79  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B     79  103  106      4    6   64   89   93   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D    82_B     D    82_B      8  103  106      4    6   10   28   52   91   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    83_B     P    83_B      8  103  106      4    6    8   11   17   33   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   61   83  101  102  102  103  103  105  106  106  106  106 
LCS_GDT     S    85_B     S    85_B      8  103  106      4    6   12   31   56   92   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    86_B     S    86_B     18  103  106      3    6   23   79   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     18  103  106     20   79   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B     18  103  106     70   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     F    89_B     F    89_B     18  103  106     53   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    90_B     S    90_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    91_B     S    91_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     K    92_B     K    92_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    93_B     P    93_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    94_B     I    94_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    95_B     S    95_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    96_B     I    96_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     N    97_B     N    97_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R    99_B     R    99_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T   100_B     T   100_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P   101_B     P   101_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     H   102_B     H   102_B     18  103  106     74   84   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     H   103_B     H   103_B     18  103  106      3   57   87   91   94   97   99  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  103  106      3    4    7   20   39   74   95   97   99   99  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4  101  106      3    4    6    6    6    7   12   29   36   40   64   99  102  104  105  105  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4    6  106      3    4    9   10   23   47   78   95   98   99  100  101  103  104  105  105  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3    3  106      0    3    3    3    8   14   23   73   98   99  100  101  102  104  105  105  106  106  106  106 
LCS_AVERAGE  LCS_A:  84.98  (  59.55   95.40  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     74     84     87     91     94     97     99    100    101    101    101    102    103    104    105    105    106    106    106    106 
GDT PERCENT_AT  69.81  79.25  82.08  85.85  88.68  91.51  93.40  94.34  95.28  95.28  95.28  96.23  97.17  98.11  99.06  99.06 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.26   0.38   0.53   0.78   0.86   1.02   1.32   1.35   1.49   1.49   1.45   1.59   1.76   2.02   2.13   2.13   2.30   2.30   2.30   2.30
GDT RMS_ALL_AT   2.41   2.39   2.37   2.36   2.38   2.34   2.34   2.34   2.35   2.35   2.33   2.34   2.32   2.32   2.31   2.31   2.30   2.30   2.30   2.30

# 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     3.126     0    0.230   0.230     3.605   55.714   55.714
LGA    V     3_B      V     3_B     3.206     0    0.086   0.471     3.780   51.905   51.156
LGA    S     4_B      S     4_B     2.726     0    0.024   0.590     3.695   57.143   54.841
LGA    D     5_B      D     5_B     2.440     0    0.448   1.315     3.692   57.500   65.357
LGA    V     6_B      V     6_B     0.949     0    0.029   1.022     2.986   88.214   78.367
LGA    P     7_B      P     7_B     0.539     0    0.102   0.166     1.056   90.476   89.184
LGA    R     8_B      R     8_B     0.470     0    0.022   1.487     4.453   95.238   76.970
LGA    D     9_B      D     9_B     0.786     0    0.027   0.956     4.547   90.476   72.143
LGA    L    10_B      L    10_B     0.513     0    0.079   0.075     0.729   90.476   95.238
LGA    E    11_B      E    11_B     0.493     0    0.014   0.230     1.222   95.238   91.587
LGA    V    12_B      V    12_B     0.451     0    0.068   0.078     0.612   95.238   97.279
LGA    V    13_B      V    13_B     0.795     0    0.106   1.109     3.234   92.857   83.469
LGA    A    14_B      A    14_B     0.576     0    0.026   0.032     0.644   90.476   90.476
LGA    A    15_B      A    15_B     0.553     0    0.072   0.079     0.718   92.857   92.381
LGA    T    16_B      T    16_B     0.637     0    0.025   0.062     0.766   90.476   90.476
LGA    P    17_B      P    17_B     0.791     0    0.063   0.074     1.207   90.476   87.891
LGA    T    18_B      T    18_B     0.726     0    0.041   0.108     1.140   90.476   89.184
LGA    S    19_B      S    19_B     0.461     0    0.014   0.658     2.523   95.238   89.683
LGA    L    20_B      L    20_B     0.429     0    0.017   0.089     0.647  100.000   97.619
LGA    L    21_B      L    21_B     0.468     0    0.045   0.081     0.543  100.000   98.810
LGA    I    22_B      I    22_B     0.470     0    0.030   0.053     0.505   97.619   98.810
LGA    S    23_B      S    23_B     0.434     0    0.023   0.071     0.507   97.619   98.413
LGA    W    24_B      W    24_B     0.456     0    0.093   0.101     0.605   97.619   99.320
LGA    D    25_B      D    25_B     0.660     0    0.077   0.193     0.985   95.238   92.857
LGA    A    26_B      A    26_B     0.681     0    0.026   0.044     1.259   88.214   86.857
LGA    P    27_B      P    27_B     1.588     0    0.043   0.104     2.016   72.976   76.667
LGA    P    28_B      P    28_B     3.155     0    0.700   0.585     5.521   44.643   47.007
LGA    Y    29_B      Y    29_B     1.722     0    0.062   1.262     9.605   75.000   44.524
LGA    Y    30_B      Y    30_B     1.117     0    0.049   0.328     1.594   85.952   86.111
LGA    V    31_B      V    31_B     0.292     0    0.039   0.084     0.542   97.619   98.639
LGA    R    32_B      R    32_B     0.245     0    0.045   0.473     2.472  100.000   87.619
LGA    Y    33_B      Y    33_B     0.352     0    0.031   1.375     7.292  100.000   67.024
LGA    Y    34_B      Y    34_B     0.291     0    0.052   0.089     0.521   97.619   99.206
LGA    R    35_B      R    35_B     0.341     0    0.019   1.042     3.854  100.000   89.697
LGA    I    36_B      I    36_B     0.394     0    0.022   0.105     0.525  100.000   98.810
LGA    T    37_B      T    37_B     0.463     0    0.038   0.138     0.992  100.000   95.918
LGA    Y    38_B      Y    38_B     0.351     0    0.045   0.056     0.828   97.619   96.825
LGA    G    39_B      G    39_B     0.340     0    0.020   0.020     0.340  100.000  100.000
LGA    E    40_B      E    40_B     0.392     0    0.073   0.533     2.210   97.619   85.979
LGA    T    41_B      T    41_B     0.308     0    0.081   0.122     0.397  100.000  100.000
LGA    G    42_B      G    42_B     0.578     0    0.196   0.196     1.768   86.071   86.071
LGA    G    43_B      G    43_B     0.817     0    0.082   0.082     0.980   90.476   90.476
LGA    N    44_B      N    44_B     1.917     3    0.047   0.044     2.589   66.905   41.548
LGA    S    45_B      S    45_B     2.102     0    0.040   0.714     3.343   70.952   67.778
LGA    P    46_B      P    46_B     2.789     0    0.086   0.091     3.894   62.976   55.510
LGA    V    47_B      V    47_B     1.213     0    0.047   0.126     2.010   79.286   77.823
LGA    Q    48_B      Q    48_B     0.910     0    0.027   1.023     3.251   92.857   83.069
LGA    E    49_B      E    49_B     0.701     0    0.060   0.532     1.426   90.476   85.450
LGA    F    50_B      F    50_B     0.594     0    0.031   0.060     0.656   95.238   97.403
LGA    T    51_B      T    51_B     0.412     0    0.046   0.078     0.781   97.619   95.918
LGA    V    52_B      V    52_B     0.235     0    0.049   1.285     2.627  100.000   87.483
LGA    P    53_B      P    53_B     0.252     0    0.036   0.044     0.382  100.000  100.000
LGA    G    54_B      G    54_B     0.141     0    0.029   0.029     0.308  100.000  100.000
LGA    S    55_B      S    55_B     0.472     0    0.059   0.055     0.488  100.000  100.000
LGA    K    56_B      K    56_B     0.439     0    0.051   0.580     1.956   97.619   92.910
LGA    S    57_B      S    57_B     0.409     0    0.021   0.118     0.445  100.000  100.000
LGA    T    58_B      T    58_B     0.408     0    0.056   0.084     0.513  100.000   98.639
LGA    A    59_B      A    59_B     0.359     0    0.041   0.049     0.481  100.000  100.000
LGA    T    60_B      T    60_B     0.379     0    0.073   0.104     0.704   97.619   97.279
LGA    I    61_B      I    61_B     0.416     0    0.050   0.157     0.675   95.238   97.619
LGA    S    62_B      S    62_B     0.747     0    0.042   0.054     1.256   90.476   87.460
LGA    G    63_B      G    63_B     0.727     0    0.048   0.048     0.813   90.476   90.476
LGA    L    64_B      L    64_B     0.528     0    0.055   0.066     0.758   90.476   94.048
LGA    K    65_B      K    65_B     0.355     2    0.013   0.067     0.436  100.000   77.778
LGA    P    66_B      P    66_B     0.304     0    0.037   0.048     0.338  100.000  100.000
LGA    G    67_B      G    67_B     0.366     0    0.049   0.049     0.395  100.000  100.000
LGA    V    68_B      V    68_B     0.263     0    0.013   0.044     0.340  100.000  100.000
LGA    D    69_B      D    69_B     0.219     0    0.026   0.568     1.406  100.000   95.357
LGA    Y    70_B      Y    70_B     0.283     0    0.042   0.115     0.479  100.000  100.000
LGA    T    71_B      T    71_B     0.476     0    0.037   0.054     0.536  100.000   98.639
LGA    I    72_B      I    72_B     0.429     0    0.014   0.335     1.145  100.000   97.679
LGA    T    73_B      T    73_B     0.454     0    0.032   0.041     0.506   97.619   98.639
LGA    V    74_B      V    74_B     0.368     0    0.013   0.042     0.475  100.000  100.000
LGA    Y    75_B      Y    75_B     0.455     0    0.077   0.071     1.023  100.000   92.897
LGA    A    76_B      A    76_B     0.271     0    0.074   0.077     0.439  100.000  100.000
LGA    E    77_B      E    77_B     0.203     0    0.045   0.754     4.162  100.000   81.640
LGA    H    78_B      H    78_B     0.475     0    0.119   0.315     0.996   95.238   92.381
LGA    P    79_B      P    79_B     0.355     0    0.009   0.300     1.743   97.619   92.041
LGA    Y    80_B      Y    80_B     0.630     0    0.644   0.543     3.353   90.833   77.937
LGA    Y    81_B      Y    81_B     3.074     0    0.225   1.273    14.035   45.357   20.198
LGA    D    82_B      D    82_B     5.903     0    0.101   0.145     9.142   25.119   15.595
LGA    P    83_B      P    83_B     6.508     0    0.041   0.072     7.862   11.905   11.156
LGA    S    84_B      S    84_B     9.028     0    0.179   0.168    10.955    4.524    3.016
LGA    S    85_B      S    85_B     5.725     0    0.103   0.130     6.768   25.833   26.825
LGA    S    86_B      S    86_B     2.888     0    0.052   0.055     3.846   63.690   62.778
LGA    Y    87_B      Y    87_B     1.477     0    0.129   0.328     4.579   79.286   56.071
LGA    Y    88_B      Y    88_B     0.768     0    0.045   1.492     6.847   92.857   65.952
LGA    F    89_B      F    89_B     0.510     0    0.131   0.764     3.980   97.619   74.545
LGA    S    90_B      S    90_B     0.271     0    0.075   0.523     1.196   97.619   93.730
LGA    S    91_B      S    91_B     0.377     0    0.055   0.060     0.461  100.000  100.000
LGA    K    92_B      K    92_B     0.490     0    0.048   0.100     2.167   97.619   85.873
LGA    P    93_B      P    93_B     0.531     0    0.020   0.054     0.960   92.857   91.837
LGA    I    94_B      I    94_B     0.494     0    0.048   0.075     0.620   95.238   95.238
LGA    S    95_B      S    95_B     0.758     0    0.056   0.645     2.295   90.476   86.190
LGA    I    96_B      I    96_B     0.650     0    0.035   0.087     0.706   90.476   91.667
LGA    N    97_B      N    97_B     0.562     0    0.040   0.103     0.831   90.476   90.476
LGA    Y    98_B      Y    98_B     0.433     0    0.021   0.092     0.635  100.000   96.825
LGA    R    99_B      R    99_B     0.507     3    0.036   0.352     1.660   90.476   65.931
LGA    T   100_B      T   100_B     0.543     0    0.039   0.078     0.663   90.476   90.476
LGA    P   101_B      P   101_B     0.628     0    0.041   0.326     1.491   90.476   90.544
LGA    H   102_B      H   102_B     0.877     0    0.617   1.216     2.693   82.143   79.333
LGA    H   103_B      H   103_B     2.154     0    0.168   0.592     8.555   48.571   31.000
LGA    H   104_B      H   104_B     5.751     5    0.242   0.282     6.244   28.333   13.048
LGA    H   105_B      H   105_B     9.867     0    0.612   1.171    17.385    1.548    0.619
LGA    H   106_B      H   106_B     8.184     0    0.127   0.851     8.788    4.286    4.429
LGA    H   107_B      H   107_B     8.927     0    0.055   0.986    10.738    1.429    1.905

# 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):     2.303          2.302                  2.967           84.628   79.956

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    100    1.35    89.623    92.014     6.907

LGA_LOCAL      RMSD:   1.348  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.344  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.303  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.214767 * X  +  -0.749780 * Y  +   0.625864 * Z  +  15.424853
  Y_new =   0.518073 * X  +   0.455772 * Y  +   0.723790 * Z  +  15.322433
  Z_new =  -0.827934 * X  +   0.479690 * Y  +   0.290556 * Z  +  53.006546 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.963783  0.975414  1.026185   [DEG:  112.5165   55.8871   58.7960 ]
ZXZ:  2.428624  1.275989 -1.045675   [DEG:  139.1499   73.1088  -59.9128 ]
 
# END of job
