
#######################################################
#                                                     #
#                        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       2.35     2.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       2_B - 104_B       1.91     2.39
  LCS_AVERAGE:     94.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       2_B - 79_B        0.99     2.47
  LONGEST_CONTINUOUS_SEGMENT:    78       3_B - 80_B        0.97     2.46
  LCS_AVERAGE:     58.67

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     78  103  106      4   25   64   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     78  103  106      4   26   64   79   92   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S     4_B     S     4_B     78  103  106      4   26   64   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     78  103  106      6   40   83   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     78  103  106     32   82   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     78  103  106     63   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R     8_B     R     8_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D     9_B     D     9_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    10_B     L    10_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    11_B     E    11_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    12_B     V    12_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    13_B     V    13_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    14_B     A    14_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    15_B     A    15_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    16_B     T    16_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    17_B     P    17_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    18_B     T    18_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    19_B     S    19_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    20_B     L    20_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    21_B     L    21_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    22_B     I    22_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    23_B     S    23_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     W    24_B     W    24_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D    25_B     D    25_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     78  103  106     51   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     78  103  106     11   64   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    28_B     P    28_B     78  103  106      3   22   46   89   92   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     78  103  106     19   57   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     78  103  106     29   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    31_B     V    31_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R    32_B     R    32_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R    35_B     R    35_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    36_B     I    36_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    37_B     T    37_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    39_B     G    39_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    40_B     E    40_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    41_B     T    41_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    42_B     G    42_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     78  103  106     67   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     78  103  106     25   77   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     78  103  106      8   59   85   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    46_B     P    46_B     78  103  106      3   21   80   88   92   96   97   98  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    47_B     V    47_B     78  103  106     59   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B     78  103  106     70   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    49_B     E    49_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     F    50_B     F    50_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    51_B     T    51_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    52_B     V    52_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    53_B     P    53_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    54_B     G    54_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    55_B     S    55_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     K    56_B     K    56_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    57_B     S    57_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    58_B     T    58_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    59_B     A    59_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    60_B     T    60_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    61_B     I    61_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    62_B     S    62_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    63_B     G    63_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     L    64_B     L    64_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     K    65_B     K    65_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    66_B     P    66_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     G    67_B     G    67_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    68_B     V    68_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D    69_B     D    69_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    71_B     T    71_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    72_B     I    72_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T    73_B     T    73_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     V    74_B     V    74_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     A    76_B     A    76_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     E    77_B     E    77_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H    78_B     H    78_B     78  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     78  103  106     52   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     78  103  106     55   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B     77  103  106      3    6   19   81   89   94   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     D    82_B     D    82_B      8  103  106      4    6   10   18   51   88   96   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    83_B     P    83_B      8  103  106      4    6    9   12   19   37   74   94  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    9   12   13   16   23   34   52   78   98  102  102  102  103  105  106  106  106  106 
LCS_GDT     S    85_B     S    85_B      8  103  106      4    6    9   25   46   77   96   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    86_B     S    86_B     17  103  106      4    6   11   44   87   94   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     17  103  106     31   81   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B     17  103  106     60   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     F    89_B     F    89_B     17  103  106     55   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    90_B     S    90_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    91_B     S    91_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     K    92_B     K    92_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P    93_B     P    93_B     17  103  106     67   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    94_B     I    94_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     S    95_B     S    95_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     I    96_B     I    96_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     N    97_B     N    97_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     R    99_B     R    99_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     T   100_B     T   100_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     P   101_B     P   101_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   102_B     H   102_B     17  103  106     72   83   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   103_B     H   103_B     17  103  106      3   57   86   89   93   96   97   99  101  101  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  103  106      3    4    8   21   59   89   95   98   98  100  101  102  103  103  105  105  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4    6  106      3    4    6    6    7    7   11   13   28   29   50   96  102  103  105  105  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4    6  106      3    4    8   13   25   66   94   98   98  100  100  101  103  103  105  105  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3    3  106      0    3    3    3    3    7   21   71   97   99   99  101  102  103  105  105  106  106  106  106 
LCS_AVERAGE  LCS_A:  84.41  (  58.67   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     72     83     86     89     93     96     97     99    101    101    101    102    103    103    105    105    106    106    106    106 
GDT PERCENT_AT  67.92  78.30  81.13  83.96  87.74  90.57  91.51  93.40  95.28  95.28  95.28  96.23  97.17  97.17  99.06  99.06 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.41   0.50   0.61   0.83   0.99   1.13   1.45   1.61   1.61   1.57   1.69   1.84   1.84   2.17   2.17   2.35   2.35   2.35   2.35
GDT RMS_ALL_AT   2.45   2.43   2.43   2.43   2.41   2.42   2.39   2.38   2.39   2.39   2.37   2.38   2.36   2.36   2.36   2.36   2.35   2.35   2.35   2.35

# 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     2.895     0    0.168   0.168     3.607   53.690   53.690
LGA    V     3_B      V     3_B     3.655     0    0.026   0.219     4.333   48.452   45.374
LGA    S     4_B      S     4_B     3.038     0    0.037   0.512     3.836   51.786   50.079
LGA    D     5_B      D     5_B     2.649     0    0.456   1.285     3.878   53.690   64.524
LGA    V     6_B      V     6_B     1.238     0    0.041   1.030     3.206   85.952   76.054
LGA    P     7_B      P     7_B     0.667     0    0.090   0.160     1.272   90.476   89.184
LGA    R     8_B      R     8_B     0.573     0    0.017   1.274     3.136   92.857   80.563
LGA    D     9_B      D     9_B     0.868     0    0.026   0.955     4.607   90.476   71.012
LGA    L    10_B      L    10_B     0.603     0    0.073   0.074     0.843   90.476   94.048
LGA    E    11_B      E    11_B     0.579     0    0.015   0.230     1.359   90.476   89.471
LGA    V    12_B      V    12_B     0.480     0    0.059   0.061     0.676   92.857   95.918
LGA    V    13_B      V    13_B     0.869     0    0.115   1.117     3.385   90.476   82.109
LGA    A    14_B      A    14_B     0.656     0    0.028   0.037     0.738   90.476   90.476
LGA    A    15_B      A    15_B     0.603     0    0.074   0.081     0.776   90.476   90.476
LGA    T    16_B      T    16_B     0.717     0    0.027   0.065     0.832   90.476   90.476
LGA    P    17_B      P    17_B     0.897     0    0.057   0.069     1.308   90.476   86.599
LGA    T    18_B      T    18_B     0.825     0    0.035   0.096     1.220   90.476   89.184
LGA    S    19_B      S    19_B     0.527     0    0.011   0.657     2.598   90.476   86.508
LGA    L    20_B      L    20_B     0.448     0    0.025   0.098     0.586   97.619   97.619
LGA    L    21_B      L    21_B     0.504     0    0.048   0.088     0.616   95.238   94.048
LGA    I    22_B      I    22_B     0.471     0    0.033   0.054     0.502   97.619   98.810
LGA    S    23_B      S    23_B     0.449     0    0.005   0.006     0.708   97.619   95.238
LGA    W    24_B      W    24_B     0.422     0    0.103   0.111     0.627   97.619   99.320
LGA    D    25_B      D    25_B     0.564     0    0.087   0.173     0.906   95.238   92.857
LGA    A    26_B      A    26_B     0.716     0    0.024   0.034     1.394   88.214   86.857
LGA    P    27_B      P    27_B     1.642     0    0.058   0.078     2.113   72.976   76.667
LGA    P    28_B      P    28_B     3.364     0    0.700   0.581     5.512   44.643   43.265
LGA    Y    29_B      Y    29_B     1.702     0    0.062   1.228     9.158   77.143   46.706
LGA    Y    30_B      Y    30_B     1.032     0    0.057   0.358     1.929   85.952   83.849
LGA    V    31_B      V    31_B     0.233     0    0.042   0.085     0.466  100.000  100.000
LGA    R    32_B      R    32_B     0.093     0    0.036   0.148     1.398  100.000   93.203
LGA    Y    33_B      Y    33_B     0.295     0    0.033   1.376     7.286  100.000   67.976
LGA    Y    34_B      Y    34_B     0.476     0    0.051   0.103     0.631   95.238   97.619
LGA    R    35_B      R    35_B     0.567     0    0.017   1.037     4.445   90.476   81.688
LGA    I    36_B      I    36_B     0.518     0    0.016   0.100     0.555   90.476   94.048
LGA    T    37_B      T    37_B     0.588     0    0.024   0.124     1.206   92.857   90.544
LGA    Y    38_B      Y    38_B     0.455     0    0.047   0.069     0.971   92.857   93.651
LGA    G    39_B      G    39_B     0.443     0    0.021   0.021     0.443  100.000  100.000
LGA    E    40_B      E    40_B     0.500     0    0.076   0.535     2.219   90.476   81.746
LGA    T    41_B      T    41_B     0.373     0    0.076   0.120     0.415  100.000  100.000
LGA    G    42_B      G    42_B     0.631     0    0.199   0.199     1.846   83.810   83.810
LGA    G    43_B      G    43_B     0.943     0    0.098   0.098     1.153   88.214   88.214
LGA    N    44_B      N    44_B     2.215     3    0.046   0.044     2.935   64.881   39.583
LGA    S    45_B      S    45_B     2.416     0    0.043   0.707     3.550   66.786   62.540
LGA    P    46_B      P    46_B     3.189     0    0.093   0.099     4.424   57.381   49.592
LGA    V    47_B      V    47_B     1.430     0    0.055   0.127     2.322   75.119   72.993
LGA    Q    48_B      Q    48_B     1.153     0    0.029   1.014     3.634   85.952   77.302
LGA    E    49_B      E    49_B     0.969     0    0.064   0.525     1.508   83.690   81.481
LGA    F    50_B      F    50_B     0.789     0    0.035   0.071     0.885   90.476   94.805
LGA    T    51_B      T    51_B     0.564     0    0.044   0.074     0.998   95.238   93.197
LGA    V    52_B      V    52_B     0.169     0    0.051   1.296     2.566  100.000   88.844
LGA    P    53_B      P    53_B     0.217     0    0.034   0.045     0.389  100.000  100.000
LGA    G    54_B      G    54_B     0.219     0    0.027   0.027     0.417  100.000  100.000
LGA    S    55_B      S    55_B     0.492     0    0.050   0.047     0.515  100.000   98.413
LGA    K    56_B      K    56_B     0.507     0    0.037   0.564     1.827   97.619   89.735
LGA    S    57_B      S    57_B     0.451     0    0.028   0.167     0.530   97.619   98.413
LGA    T    58_B      T    58_B     0.428     0    0.053   0.072     0.601  100.000   95.918
LGA    A    59_B      A    59_B     0.374     0    0.046   0.053     0.480  100.000  100.000
LGA    T    60_B      T    60_B     0.392     0    0.082   0.105     0.706   97.619   97.279
LGA    I    61_B      I    61_B     0.501     0    0.062   0.124     0.785   92.857   95.238
LGA    S    62_B      S    62_B     0.904     0    0.033   0.037     1.382   90.476   87.460
LGA    G    63_B      G    63_B     0.907     0    0.051   0.051     0.979   90.476   90.476
LGA    L    64_B      L    64_B     0.700     0    0.054   0.065     0.955   90.476   90.476
LGA    K    65_B      K    65_B     0.567     2    0.014   0.062     0.662   95.238   72.487
LGA    P    66_B      P    66_B     0.552     0    0.033   0.048     0.574   90.476   90.476
LGA    G    67_B      G    67_B     0.514     0    0.077   0.077     0.700   90.476   90.476
LGA    V    68_B      V    68_B     0.338     0    0.012   0.044     0.426  100.000  100.000
LGA    D    69_B      D    69_B     0.167     0    0.027   0.574     1.428  100.000   95.357
LGA    Y    70_B      Y    70_B     0.293     0    0.048   0.109     0.435  100.000  100.000
LGA    T    71_B      T    71_B     0.560     0    0.035   0.061     0.686   92.857   91.837
LGA    I    72_B      I    72_B     0.514     0    0.007   0.323     1.028   90.476   91.726
LGA    T    73_B      T    73_B     0.583     0    0.034   0.036     0.592   90.476   90.476
LGA    V    74_B      V    74_B     0.487     0    0.024   0.034     0.650   92.857   95.918
LGA    Y    75_B      Y    75_B     0.764     0    0.082   0.087     1.381   90.476   85.198
LGA    A    76_B      A    76_B     0.246     0    0.076   0.079     0.404  100.000  100.000
LGA    E    77_B      E    77_B     0.091     0    0.050   0.801     4.138  100.000   82.698
LGA    H    78_B      H    78_B     0.456     0    0.108   0.294     1.141   97.619   91.524
LGA    P    79_B      P    79_B     0.280     0    0.009   0.304     1.729   97.619   93.401
LGA    Y    80_B      Y    80_B     0.626     0    0.636   0.495     1.365   90.595   91.310
LGA    Y    81_B      Y    81_B     3.838     0    0.230   1.299    15.071   39.048   16.389
LGA    D    82_B      D    82_B     6.236     0    0.102   0.201     9.262   22.738   13.750
LGA    P    83_B      P    83_B     6.541     0    0.031   0.241     7.743   11.190   10.680
LGA    S    84_B      S    84_B     9.258     0    0.187   0.177    11.209    3.929    2.619
LGA    S    85_B      S    85_B     6.185     0    0.124   0.155     7.181   21.190   22.937
LGA    S    86_B      S    86_B     3.697     0    0.036   0.033     4.498   52.500   50.556
LGA    Y    87_B      Y    87_B     1.115     0    0.185   0.371     3.711   83.810   62.500
LGA    Y    88_B      Y    88_B     0.514     0    0.023   1.543     7.721   95.238   63.214
LGA    F    89_B      F    89_B     0.092     0    0.078   0.127     0.936  100.000   95.671
LGA    S    90_B      S    90_B     0.391     0    0.065   0.499     1.374   97.619   93.730
LGA    S    91_B      S    91_B     0.444     0    0.048   0.057     0.477  100.000  100.000
LGA    K    92_B      K    92_B     0.524     0    0.061   0.100     2.210   95.238   84.815
LGA    P    93_B      P    93_B     0.688     0    0.026   0.055     1.217   90.476   86.599
LGA    I    94_B      I    94_B     0.612     0    0.049   0.074     0.690   90.476   91.667
LGA    S    95_B      S    95_B     0.864     0    0.060   0.639     2.449   90.476   86.190
LGA    I    96_B      I    96_B     0.760     0    0.033   0.084     0.827   90.476   90.476
LGA    N    97_B      N    97_B     0.612     0    0.046   0.117     0.967   90.476   90.476
LGA    Y    98_B      Y    98_B     0.446     0    0.022   0.094     0.597  100.000   96.825
LGA    R    99_B      R    99_B     0.525     3    0.038   0.391     1.832   90.476   64.199
LGA    T   100_B      T   100_B     0.587     0    0.038   0.063     0.717   90.476   90.476
LGA    P   101_B      P   101_B     0.642     0    0.037   0.328     1.514   90.476   89.320
LGA    H   102_B      H   102_B     0.870     0    0.618   1.235     2.844   82.143   78.571
LGA    H   103_B      H   103_B     1.928     0    0.186   0.505     8.405   52.619   33.333
LGA    H   104_B      H   104_B     5.668     5    0.233   0.273     6.310   30.833   14.048
LGA    H   105_B      H   105_B     9.474     0    0.612   1.243    16.849    2.976    1.190
LGA    H   106_B      H   106_B     7.609     0    0.112   0.894     8.340    6.548    8.048
LGA    H   107_B      H   107_B     8.575     0    0.062   0.975     9.937    2.143    3.190

# 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):     2.351          2.337                  2.979           82.719   78.505

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     99    1.45    88.679    91.224     6.385

LGA_LOCAL      RMSD:   1.450  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.380  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.351  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.821065 * X  +  -0.454938 * Y  +   0.344796 * Z  +  15.313843
  Y_new =   0.561425 * X  +  -0.534350 * Y  +   0.631880 * Z  +  16.870199
  Z_new =  -0.103224 * X  +   0.712392 * Y  +   0.694149 * Z  +  52.857182 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.541838  0.103408  0.798367   [DEG:  145.6366    5.9249   45.7431 ]
ZXZ:  2.642082  0.803559 -0.143896   [DEG:  151.3801   46.0405   -8.2447 ]
 
# END of job
