
#######################################################
#                                                     #
#                        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       2.34     2.34
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       2_B - 104_B       1.90     2.39
  LCS_AVERAGE:     94.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       2_B - 80_B        0.99     2.44
  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      4   37   84   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     79  103  106      4   28   65   90   93   96   98  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   35   84   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     79  103  106      8   47   84   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     79  103  106     32   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     79  103  106     66   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R     8_B     R     8_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D     9_B     D     9_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    10_B     L    10_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    11_B     E    11_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    12_B     V    12_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    13_B     V    13_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    14_B     A    14_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    15_B     A    15_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    16_B     T    16_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    17_B     P    17_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    18_B     T    18_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    19_B     S    19_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    20_B     L    20_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    21_B     L    21_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    22_B     I    22_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    23_B     S    23_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     W    24_B     W    24_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D    25_B     D    25_B     79  103  106     67   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     79  103  106     45   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     79  103  106     11   67   87   90   93   96   98  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    5   60   89   92   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     79  103  106     20   67   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     79  103  106     21   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    31_B     V    31_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R    32_B     R    32_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R    35_B     R    35_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    36_B     I    36_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    37_B     T    37_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    39_B     G    39_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    40_B     E    40_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    41_B     T    41_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    42_B     G    42_B     79  103  106     67   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     79  103  106     42   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     79  103  106     19   66   85   88   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     79  103  106      9   52   80   87   93   96   98  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   22   50   87   91   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     34   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B     79  103  106     67   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    49_B     E    49_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     F    50_B     F    50_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    51_B     T    51_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    52_B     V    52_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    53_B     P    53_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    54_B     G    54_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    55_B     S    55_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     K    56_B     K    56_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    57_B     S    57_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    58_B     T    58_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    59_B     A    59_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    60_B     T    60_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    61_B     I    61_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    62_B     S    62_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    63_B     G    63_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     L    64_B     L    64_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     K    65_B     K    65_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    66_B     P    66_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     G    67_B     G    67_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    68_B     V    68_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     D    69_B     D    69_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    71_B     T    71_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    72_B     I    72_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T    73_B     T    73_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     V    74_B     V    74_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     A    76_B     A    76_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     E    77_B     E    77_B     79  103  106     67   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     H    78_B     H    78_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     79  103  106     63   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     79  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B     78  103  106      3    6   26   85   91   96   98  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   19   50   88   97  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    7   10   14   27   65   96  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    7   10   12   15   22   32   48   72   99  102  102  102  103  105  106  106  106  106 
LCS_GDT     S    85_B     S    85_B      8  103  106      4    6    7   27   49   84   97  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   17   62   91   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     18  103  106     19   78   86   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B     18  103  106     60   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     F    89_B     F    89_B     18  103  106     59   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    90_B     S    90_B     18  103  106     67   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    91_B     S    91_B     18  103  106     59   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     K    92_B     K    92_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P    93_B     P    93_B     18  103  106     45   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    94_B     I    94_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     S    95_B     S    95_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     I    96_B     I    96_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     N    97_B     N    97_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     R    99_B     R    99_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     T   100_B     T   100_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     P   101_B     P   101_B     18  103  106     68   83   87   90   93   96   98  100  101  101  101  102  103  104  105  105  106  106  106  106 
LCS_GDT     H   102_B     H   102_B     18  103  106     68   83   87   90   93   96   98  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   90   93   96   98  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    8   20   52   85   94   98   99   99  101  101  103  104  105  105  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4    6  106      3    4    6    6    7    7   12   13   29   29   74   98  102  104  105  105  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4    6  106      3    4    8   13   27   64   93   98   99   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    3   14   45   83   99   99  100  101  102  104  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     68     83     87     90     93     96     98    100    101    101    101    102    103    104    105    105    106    106    106    106 
GDT PERCENT_AT  64.15  78.30  82.08  84.91  87.74  90.57  92.45  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    0.30   0.43   0.57   0.74   0.83   0.98   1.12   1.43   1.57   1.57   1.57   1.81   1.82   2.04   2.15   2.15   2.34   2.34   2.34   2.34
GDT RMS_ALL_AT   2.45   2.42   2.40   2.39   2.40   2.41   2.39   2.38   2.39   2.39   2.39   2.41   2.35   2.36   2.35   2.35   2.34   2.34   2.34   2.34

# 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     2.810     0    0.167   0.167     3.820   55.595   55.595
LGA    V     3_B      V     3_B     3.391     0    0.025   0.217     3.876   50.119   49.116
LGA    S     4_B      S     4_B     2.721     0    0.036   0.661     3.708   57.143   54.841
LGA    D     5_B      D     5_B     2.490     0    0.441   1.273     3.730   57.500   66.429
LGA    V     6_B      V     6_B     1.045     0    0.028   1.018     3.149   88.333   77.415
LGA    P     7_B      P     7_B     0.510     0    0.090   0.173     1.229   90.476   90.544
LGA    R     8_B      R     8_B     0.528     0    0.025   1.229     2.745   92.857   81.212
LGA    D     9_B      D     9_B     0.819     0    0.026   0.962     4.465   90.476   72.857
LGA    L    10_B      L    10_B     0.610     0    0.071   0.072     0.888   90.476   92.857
LGA    E    11_B      E    11_B     0.598     0    0.023   0.237     1.476   90.476   89.471
LGA    V    12_B      V    12_B     0.447     0    0.059   0.066     0.696   92.857   95.918
LGA    V    13_B      V    13_B     0.870     0    0.117   1.100     3.351   92.857   83.469
LGA    A    14_B      A    14_B     0.593     0    0.028   0.034     0.706   90.476   90.476
LGA    A    15_B      A    15_B     0.621     0    0.075   0.083     0.800   90.476   90.476
LGA    T    16_B      T    16_B     0.743     0    0.025   0.058     0.848   90.476   90.476
LGA    P    17_B      P    17_B     0.933     0    0.065   0.072     1.380   90.476   86.599
LGA    T    18_B      T    18_B     0.847     0    0.032   0.110     1.334   90.476   86.599
LGA    S    19_B      S    19_B     0.521     0    0.013   0.664     2.598   90.476   86.508
LGA    L    20_B      L    20_B     0.475     0    0.015   0.091     0.655   97.619   95.238
LGA    L    21_B      L    21_B     0.507     0    0.054   0.081     0.597   92.857   92.857
LGA    I    22_B      I    22_B     0.498     0    0.039   0.066     0.553   97.619   97.619
LGA    S    23_B      S    23_B     0.428     0    0.027   0.620     2.585   95.238   88.095
LGA    W    24_B      W    24_B     0.449     0    0.093   0.103     0.600   97.619   99.320
LGA    D    25_B      D    25_B     0.587     0    0.079   0.150     0.874   95.238   92.857
LGA    A    26_B      A    26_B     0.741     0    0.025   0.032     1.401   88.214   86.857
LGA    P    27_B      P    27_B     1.597     0    0.053   0.087     2.056   72.976   76.667
LGA    P    28_B      P    28_B     3.278     0    0.704   0.589     5.506   44.643   45.170
LGA    Y    29_B      Y    29_B     1.703     0    0.062   1.273     9.375   77.143   46.270
LGA    Y    30_B      Y    30_B     1.080     0    0.050   0.328     1.600   85.952   85.357
LGA    V    31_B      V    31_B     0.265     0    0.040   0.121     0.509   97.619   98.639
LGA    R    32_B      R    32_B     0.254     0    0.039   0.475     2.516  100.000   86.926
LGA    Y    33_B      Y    33_B     0.352     0    0.035   1.377     7.370  100.000   67.024
LGA    Y    34_B      Y    34_B     0.481     0    0.051   0.106     0.724   95.238   98.413
LGA    R    35_B      R    35_B     0.544     0    0.026   1.041     4.063   90.476   83.203
LGA    I    36_B      I    36_B     0.533     0    0.008   0.127     0.684   90.476   94.048
LGA    T    37_B      T    37_B     0.541     0    0.023   0.132     1.157   95.238   91.905
LGA    Y    38_B      Y    38_B     0.386     0    0.053   0.058     0.886   97.619   96.825
LGA    G    39_B      G    39_B     0.360     0    0.019   0.019     0.360  100.000  100.000
LGA    E    40_B      E    40_B     0.393     0    0.076   0.610     2.332   97.619   85.079
LGA    T    41_B      T    41_B     0.313     0    0.080   0.119     0.457  100.000  100.000
LGA    G    42_B      G    42_B     0.658     0    0.202   0.202     1.981   83.810   83.810
LGA    G    43_B      G    43_B     1.013     0    0.097   0.097     1.235   83.690   83.690
LGA    N    44_B      N    44_B     2.321     3    0.033   0.033     3.023   61.190   37.738
LGA    S    45_B      S    45_B     2.571     0    0.028   0.703     3.794   64.881   61.270
LGA    P    46_B      P    46_B     3.187     0    0.086   0.092     4.407   57.381   49.592
LGA    V    47_B      V    47_B     1.371     0    0.065   1.160     2.963   75.119   70.748
LGA    Q    48_B      Q    48_B     0.942     0    0.037   1.027     3.315   92.857   83.069
LGA    E    49_B      E    49_B     0.819     0    0.059   0.526     1.435   88.214   84.444
LGA    F    50_B      F    50_B     0.662     0    0.031   0.063     0.735   92.857   96.537
LGA    T    51_B      T    51_B     0.465     0    0.040   0.072     0.960   97.619   94.558
LGA    V    52_B      V    52_B     0.181     0    0.053   1.300     2.615  100.000   88.844
LGA    P    53_B      P    53_B     0.185     0    0.033   0.044     0.342  100.000  100.000
LGA    G    54_B      G    54_B     0.154     0    0.021   0.021     0.370  100.000  100.000
LGA    S    55_B      S    55_B     0.478     0    0.087   0.121     0.507  100.000   98.413
LGA    K    56_B      K    56_B     0.487     0    0.038   0.576     1.911   97.619   92.910
LGA    S    57_B      S    57_B     0.425     0    0.012   0.140     0.449  100.000  100.000
LGA    T    58_B      T    58_B     0.403     0    0.057   0.080     0.536  100.000   98.639
LGA    A    59_B      A    59_B     0.356     0    0.039   0.044     0.481  100.000  100.000
LGA    T    60_B      T    60_B     0.415     0    0.064   0.082     0.694   97.619   95.918
LGA    I    61_B      I    61_B     0.461     0    0.050   0.129     0.707   95.238   96.429
LGA    S    62_B      S    62_B     0.911     0    0.043   0.685     1.272   90.476   87.460
LGA    G    63_B      G    63_B     0.905     0    0.052   0.052     0.990   90.476   90.476
LGA    L    64_B      L    64_B     0.654     0    0.052   0.064     0.919   90.476   91.667
LGA    K    65_B      K    65_B     0.530     2    0.011   0.063     0.609   95.238   72.487
LGA    P    66_B      P    66_B     0.523     0    0.033   0.047     0.542   95.238   95.918
LGA    G    67_B      G    67_B     0.511     0    0.058   0.058     0.590   92.857   92.857
LGA    V    68_B      V    68_B     0.302     0    0.012   0.043     0.392  100.000  100.000
LGA    D    69_B      D    69_B     0.226     0    0.026   0.492     1.417  100.000   96.488
LGA    Y    70_B      Y    70_B     0.292     0    0.046   0.093     0.404  100.000  100.000
LGA    T    71_B      T    71_B     0.557     0    0.036   0.061     0.628   92.857   91.837
LGA    I    72_B      I    72_B     0.560     0    0.004   0.311     1.054   90.476   90.536
LGA    T    73_B      T    73_B     0.571     0    0.031   0.032     0.584   90.476   90.476
LGA    V    74_B      V    74_B     0.471     0    0.019   0.030     0.626   92.857   95.918
LGA    Y    75_B      Y    75_B     0.695     0    0.091   0.085     1.427   92.857   85.992
LGA    A    76_B      A    76_B     0.198     0    0.081   0.087     0.388  100.000  100.000
LGA    E    77_B      E    77_B     0.166     0    0.041   0.758     4.175  100.000   82.434
LGA    H    78_B      H    78_B     0.500     0    0.116   0.306     1.024   92.857   90.524
LGA    P    79_B      P    79_B     0.423     0    0.009   0.306     1.803  100.000   93.401
LGA    Y    80_B      Y    80_B     0.272     0    0.638   0.459     1.776   93.214   95.357
LGA    Y    81_B      Y    81_B     3.242     0    0.218   1.283    14.117   45.357   19.643
LGA    D    82_B      D    82_B     6.122     0    0.100   0.148     9.508   24.048   14.048
LGA    P    83_B      P    83_B     6.856     0    0.031   0.231     8.123   10.595    9.524
LGA    S    84_B      S    84_B     9.509     0    0.184   0.173    11.447    2.738    1.825
LGA    S    85_B      S    85_B     6.119     0    0.116   0.145     7.191   22.500   23.810
LGA    S    86_B      S    86_B     3.321     0    0.047   0.046     4.238   58.214   56.667
LGA    Y    87_B      Y    87_B     1.338     0    0.185   0.406     4.365   79.286   57.619
LGA    Y    88_B      Y    88_B     0.584     0    0.049   1.463     7.226   95.238   65.278
LGA    F    89_B      F    89_B     0.329     0    0.100   0.144     0.937  100.000   93.939
LGA    S    90_B      S    90_B     0.101     0    0.072   0.657     2.054  100.000   94.127
LGA    S    91_B      S    91_B     0.445     0    0.042   0.053     0.565  100.000   96.825
LGA    K    92_B      K    92_B     0.435     0    0.056   0.095     1.962   95.238   87.672
LGA    P    93_B      P    93_B     0.775     0    0.031   0.057     1.283   90.476   86.599
LGA    I    94_B      I    94_B     0.603     0    0.049   0.074     0.714   90.476   91.667
LGA    S    95_B      S    95_B     0.890     0    0.051   0.641     2.496   90.476   86.190
LGA    I    96_B      I    96_B     0.807     0    0.030   0.083     0.853   90.476   90.476
LGA    N    97_B      N    97_B     0.639     0    0.044   0.110     0.924   90.476   90.476
LGA    Y    98_B      Y    98_B     0.483     0    0.018   0.087     0.609   97.619   96.032
LGA    R    99_B      R    99_B     0.519     3    0.040   0.395     1.894   90.476   64.199
LGA    T   100_B      T   100_B     0.566     0    0.042   0.070     0.704   90.476   90.476
LGA    P   101_B      P   101_B     0.688     0    0.033   0.328     1.562   90.476   89.320
LGA    H   102_B      H   102_B     0.916     0    0.616   1.229     2.850   82.143   78.571
LGA    H   103_B      H   103_B     1.989     0    0.192   0.532     8.386   52.619   33.619
LGA    H   104_B      H   104_B     5.847     5    0.248   0.288     6.564   30.833   13.667
LGA    H   105_B      H   105_B     9.550     0    0.604   1.202    16.904    2.738    1.095
LGA    H   106_B      H   106_B     7.770     0    0.124   0.871     8.497    6.548    6.190
LGA    H   107_B      H   107_B     8.520     0    0.073   1.069    10.632    1.905    3.000

# 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):     2.344          2.343                  2.972           83.220   78.795

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    100    1.43    89.151    91.488     6.545

LGA_LOCAL      RMSD:   1.428  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.378  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.344  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.891406 * X  +  -0.368714 * Y  +   0.263525 * Z  +  15.995799
  Y_new =   0.438114 * X  +  -0.849875 * Y  +   0.292862 * Z  +  16.557682
  Z_new =   0.115980 * X  +   0.376513 * Y  +   0.919123 * Z  +  52.518799 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.684779 -0.116242  0.388792   [DEG:  153.8265   -6.6602   22.2761 ]
ZXZ:  2.408875  0.404948  0.298815   [DEG:  138.0183   23.2018   17.1209 ]
 
# END of job
