
#######################################################
#                                                     #
#                        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  106 (  843),  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       2.58     2.58
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       2_B - 83_B        1.93     2.63
  LCS_AVERAGE:     64.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       4_B - 79_B        0.98     2.69
  LONGEST_CONTINUOUS_SEGMENT:    76       5_B - 80_B        0.99     2.70
  LCS_AVERAGE:     55.48

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     12   82  106      4    8   53   74   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V     3_B     V     3_B     27   82  106      4    8   37   71   87   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S     4_B     S     4_B     76   82  106      4   22   59   86   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     D     5_B     D     5_B     76   82  106      5   36   82   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V     6_B     V     6_B     76   82  106     52   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P     7_B     P     7_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     R     8_B     R     8_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     D     9_B     D     9_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     L    10_B     L    10_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     E    11_B     E    11_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V    12_B     V    12_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V    13_B     V    13_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     A    14_B     A    14_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     A    15_B     A    15_B     76   82  106     57   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    16_B     T    16_B     76   82  106     50   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    17_B     P    17_B     76   82  106     48   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    18_B     T    18_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    19_B     S    19_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     L    20_B     L    20_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     L    21_B     L    21_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     I    22_B     I    22_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    23_B     S    23_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     W    24_B     W    24_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     D    25_B     D    25_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     A    26_B     A    26_B     76   82  106     57   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    27_B     P    27_B     76   82  106      4   76   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    28_B     P    28_B     76   82  106      4    5   68   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    29_B     Y    29_B     76   82  106      9   70   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    30_B     Y    30_B     76   82  106     42   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V    31_B     V    31_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     R    32_B     R    32_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    33_B     Y    33_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    34_B     Y    34_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     R    35_B     R    35_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     I    36_B     I    36_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    37_B     T    37_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    38_B     Y    38_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     G    39_B     G    39_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     E    40_B     E    40_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    41_B     T    41_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     G    42_B     G    42_B     76   82  106     36   74   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     G    43_B     G    43_B     76   82  106     12   74   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     N    44_B     N    44_B     76   82  106      5   22   42   84   89   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    45_B     S    45_B     76   82  106      5   19   42   84   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    46_B     P    46_B     76   82  106      5    6   36   63   89   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V    47_B     V    47_B     76   82  106     48   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Q    48_B     Q    48_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     E    49_B     E    49_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     F    50_B     F    50_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    51_B     T    51_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V    52_B     V    52_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    53_B     P    53_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     G    54_B     G    54_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    55_B     S    55_B     76   82  106     61   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     K    56_B     K    56_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    57_B     S    57_B     76   82  106     50   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    58_B     T    58_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     A    59_B     A    59_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    60_B     T    60_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     I    61_B     I    61_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    62_B     S    62_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     G    63_B     G    63_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     L    64_B     L    64_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     K    65_B     K    65_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    66_B     P    66_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     G    67_B     G    67_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V    68_B     V    68_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     D    69_B     D    69_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    70_B     Y    70_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    71_B     T    71_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     I    72_B     I    72_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T    73_B     T    73_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     V    74_B     V    74_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    75_B     Y    75_B     76   82  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     A    76_B     A    76_B     76   82  106     47   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     E    77_B     E    77_B     76   82  106     31   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     H    78_B     H    78_B     76   82  106     56   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    79_B     P    79_B     76   82  106     16   73   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    80_B     Y    80_B     76   82  106      9   36   71   86   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    81_B     Y    81_B      7   82  106      4    6    6    8   63   90   94   97  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     D    82_B     D    82_B      7   82  106      4    6    6    8    9   47   79   86   96   98  100  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    83_B     P    83_B      7   82  106      4    6    6    8    9   11   21   34   63   88   98   99  102  104  105  105  105  105  106  106 
LCS_GDT     S    84_B     S    84_B      7   10  106      4    6    6    8    9    9   12   15   17   22   33   47   60   79  100  102  105  105  106  106 
LCS_GDT     S    85_B     S    85_B      7   10  106      4    6    8   11   19   31   70   90   96   98  100  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    86_B     S    86_B      7   21  106      4    6    7   32   55   84   92   94   96   99  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    87_B     Y    87_B     17   21  106      9   25   65   75   88   90   95   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    88_B     Y    88_B     17   21  106      3   74   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     F    89_B     F    89_B     17   21  106     51   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    90_B     S    90_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    91_B     S    91_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     K    92_B     K    92_B     17   21  106     61   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P    93_B     P    93_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     I    94_B     I    94_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     S    95_B     S    95_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     I    96_B     I    96_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     N    97_B     N    97_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     Y    98_B     Y    98_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     R    99_B     R    99_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     T   100_B     T   100_B     17   21  106     63   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     P   101_B     P   101_B     17   21  106     46   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     H   102_B     H   102_B     17   21  106     46   79   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     H   103_B     H   103_B     17   21  106     21   78   85   87   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     H   104_B     H   104_B      3   21  106      4   22   37   58   87   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     H   105_B     H   105_B      3   21  106      3    3    3   48   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     H   106_B     H   106_B      3   21  106      3    3    3   84   90   93   98   98  100  101  101  103  104  104  105  105  105  105  106  106 
LCS_GDT     H   107_B     H   107_B      3   21  106      0    3    3    4   42   51   55   96  100  101  101  102  104  104  105  105  105  105  106  106 
LCS_AVERAGE  LCS_A:  73.21  (  55.48   64.13  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     63     79     85     87     90     93     98     98    100    101    101    103    104    104    105    105    105    105    106    106 
GDT PERCENT_AT  59.43  74.53  80.19  82.08  84.91  87.74  92.45  92.45  94.34  95.28  95.28  97.17  98.11  98.11  99.06  99.06  99.06  99.06 100.00 100.00
GDT RMS_LOCAL    0.28   0.45   0.58   0.66   0.84   1.00   1.30   1.29   1.43   1.55   1.55   1.97   2.07   2.07   2.27   2.27   2.27   2.27   2.58   2.58
GDT RMS_ALL_AT   2.63   2.64   2.64   2.65   2.69   2.71   2.77   2.72   2.72   2.74   2.74   2.60   2.61   2.61   2.59   2.59   2.59   2.59   2.58   2.58

# Checking swapping
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  E    77_B      E    77_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  F    89_B      F    89_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     3.804     0    0.331   0.331     3.804   61.667   61.667
LGA    V     3_B      V     3_B     3.849     0    0.142   0.283     5.276   48.810   44.082
LGA    S     4_B      S     4_B     2.793     0    0.031   0.649     3.944   55.357   52.460
LGA    D     5_B      D     5_B     2.071     0    0.439   1.260     3.389   61.071   69.583
LGA    V     6_B      V     6_B     0.569     0    0.031   1.058     2.889   95.238   84.762
LGA    P     7_B      P     7_B     0.221     0    0.071   0.114     0.576  100.000   98.639
LGA    R     8_B      R     8_B     0.204     0    0.059   1.381     7.534  100.000   71.039
LGA    D     9_B      D     9_B     0.487     0    0.028   0.925     3.882  100.000   79.286
LGA    L    10_B      L    10_B     0.270     0    0.062   0.062     0.400  100.000  100.000
LGA    E    11_B      E    11_B     0.241     0    0.022   0.166     0.889  100.000   96.825
LGA    V    12_B      V    12_B     0.208     0    0.023   0.053     0.358  100.000  100.000
LGA    V    13_B      V    13_B     0.362     0    0.144   1.134     3.013  100.000   88.844
LGA    A    14_B      A    14_B     0.273     0    0.049   0.076     0.491  100.000  100.000
LGA    A    15_B      A    15_B     0.670     0    0.028   0.041     0.886   90.476   90.476
LGA    T    16_B      T    16_B     1.064     0    0.082   0.172     1.064   88.214   86.599
LGA    P    17_B      P    17_B     1.063     0    0.047   0.074     1.454   85.952   84.014
LGA    T    18_B      T    18_B     0.369     0    0.020   0.073     0.588   97.619   98.639
LGA    S    19_B      S    19_B     0.331     0    0.017   0.590     1.785  100.000   93.889
LGA    L    20_B      L    20_B     0.040     0    0.008   0.064     0.505  100.000   98.810
LGA    L    21_B      L    21_B     0.291     0    0.021   1.107     3.110  100.000   87.976
LGA    I    22_B      I    22_B     0.388     0    0.044   0.089     0.616   97.619   98.810
LGA    S    23_B      S    23_B     0.172     0    0.057   0.097     0.274  100.000  100.000
LGA    W    24_B      W    24_B     0.340     0    0.035   0.090     0.912  100.000   93.878
LGA    D    25_B      D    25_B     0.407     0    0.022   0.081     0.501  100.000   98.810
LGA    A    26_B      A    26_B     0.445     0    0.025   0.038     0.959   95.238   94.286
LGA    P    27_B      P    27_B     1.348     0    0.045   0.070     1.661   81.548   81.565
LGA    P    28_B      P    28_B     2.748     0    0.487   0.439     4.517   52.619   50.612
LGA    Y    29_B      Y    29_B     1.636     0    0.144   1.140     8.899   70.833   44.286
LGA    Y    30_B      Y    30_B     1.047     0    0.183   1.297     9.278   83.690   49.563
LGA    V    31_B      V    31_B     0.879     0    0.062   0.111     0.931   90.476   90.476
LGA    R    32_B      R    32_B     1.019     0    0.033   1.898     8.616   88.214   58.268
LGA    Y    33_B      Y    33_B     0.880     0    0.083   1.321     8.796   90.476   56.032
LGA    Y    34_B      Y    34_B     0.689     0    0.038   0.114     0.747   90.476   95.238
LGA    R    35_B      R    35_B     0.509     0    0.021   1.037     2.613   95.238   86.017
LGA    I    36_B      I    36_B     0.354     0    0.030   0.159     0.928  100.000   98.810
LGA    T    37_B      T    37_B     0.200     0    0.027   0.091     0.381  100.000  100.000
LGA    Y    38_B      Y    38_B     0.191     0    0.009   0.058     0.351  100.000  100.000
LGA    G    39_B      G    39_B     0.062     0    0.027   0.027     0.181  100.000  100.000
LGA    E    40_B      E    40_B     0.367     0    0.077   0.543     2.325   97.619   84.921
LGA    T    41_B      T    41_B     0.499     0    0.116   0.166     1.005   92.976   95.986
LGA    G    42_B      G    42_B     1.591     0    0.198   0.198     3.071   67.262   67.262
LGA    G    43_B      G    43_B     1.735     0    0.060   0.060     1.975   75.000   75.000
LGA    N    44_B      N    44_B     3.163     3    0.035   0.039     4.037   53.571   31.429
LGA    S    45_B      S    45_B     2.818     0    0.044   0.216     3.430   61.071   58.571
LGA    P    46_B      P    46_B     3.346     0    0.123   0.329     5.825   57.381   45.646
LGA    V    47_B      V    47_B     0.891     0    0.055   1.191     3.123   83.810   74.694
LGA    Q    48_B      Q    48_B     0.169     0    0.020   1.075     3.133  100.000   90.265
LGA    E    49_B      E    49_B     0.235     0    0.025   0.597     1.633  100.000   89.735
LGA    F    50_B      F    50_B     0.288     0    0.027   0.072     0.479  100.000  100.000
LGA    T    51_B      T    51_B     0.470     0    0.020   0.096     0.629   95.238   97.279
LGA    V    52_B      V    52_B     0.687     0    0.048   1.314     3.341   90.476   81.020
LGA    P    53_B      P    53_B     0.608     0    0.022   0.038     0.822   90.476   90.476
LGA    G    54_B      G    54_B     0.805     0    0.043   0.043     1.149   85.952   85.952
LGA    S    55_B      S    55_B     1.036     0    0.020   0.041     1.051   83.690   82.937
LGA    K    56_B      K    56_B     0.768     0    0.112   0.990     3.625   88.214   80.265
LGA    S    57_B      S    57_B     1.090     0    0.073   0.167     2.147   88.214   81.746
LGA    T    58_B      T    58_B     0.639     0    0.019   0.066     0.770   90.476   90.476
LGA    A    59_B      A    59_B     0.444     0    0.016   0.020     0.496  100.000  100.000
LGA    T    60_B      T    60_B     0.302     0    0.033   0.078     0.478  100.000  100.000
LGA    I    61_B      I    61_B     0.202     0    0.048   0.104     0.422  100.000  100.000
LGA    S    62_B      S    62_B     0.255     0    0.047   0.064     0.612  100.000   98.413
LGA    G    63_B      G    63_B     0.176     0    0.070   0.070     0.229  100.000  100.000
LGA    L    64_B      L    64_B     0.150     0    0.032   0.049     0.219  100.000  100.000
LGA    K    65_B      K    65_B     0.213     2    0.021   0.063     0.438  100.000   77.778
LGA    P    66_B      P    66_B     0.392     0    0.044   0.290     0.750  100.000   97.279
LGA    G    67_B      G    67_B     0.398     0    0.052   0.052     0.398  100.000  100.000
LGA    V    68_B      V    68_B     0.125     0    0.016   0.028     0.161  100.000  100.000
LGA    D    69_B      D    69_B     0.088     0    0.031   0.450     1.199  100.000   96.488
LGA    Y    70_B      Y    70_B     0.128     0    0.017   0.103     0.211  100.000  100.000
LGA    T    71_B      T    71_B     0.197     0    0.021   0.066     0.258  100.000  100.000
LGA    I    72_B      I    72_B     0.249     0    0.013   0.289     0.988  100.000   98.810
LGA    T    73_B      T    73_B     0.211     0    0.021   0.061     0.250  100.000  100.000
LGA    V    74_B      V    74_B     0.323     0    0.015   0.069     0.435  100.000  100.000
LGA    Y    75_B      Y    75_B     0.505     0    0.018   0.076     0.760   92.857   96.825
LGA    A    76_B      A    76_B     1.042     0    0.092   0.119     1.402   83.690   83.238
LGA    E    77_B      E    77_B     1.244     0    0.085   0.716     4.005   85.952   69.841
LGA    H    78_B      H    78_B     0.498     0    0.116   0.264     1.328   92.857   86.905
LGA    P    79_B      P    79_B     1.297     0    0.612   0.573     3.413   73.690   74.626
LGA    Y    80_B      Y    80_B     2.841     0    0.212   0.312    13.862   71.071   27.341
LGA    Y    81_B      Y    81_B     4.659     0    0.065   0.260    15.936   30.833   11.508
LGA    D    82_B      D    82_B     8.886     0    0.084   1.108    14.799    7.262    3.631
LGA    P    83_B      P    83_B    10.563     0    0.102   0.349    12.411    0.119    0.068
LGA    S    84_B      S    84_B    14.200     0    0.054   0.079    16.927    0.000    0.000
LGA    S    85_B      S    85_B     9.552     0    0.056   0.467    10.665    1.548    5.794
LGA    S    86_B      S    86_B     7.379     0    0.107   0.124     8.904   19.524   13.968
LGA    Y    87_B      Y    87_B     3.975     0    0.204   0.418     9.247   39.167   18.135
LGA    Y    88_B      Y    88_B     1.427     0    0.177   1.334     5.461   77.143   65.873
LGA    F    89_B      F    89_B     0.845     0    0.181   1.178     4.811   92.857   73.463
LGA    S    90_B      S    90_B     0.403     0    0.049   0.607     1.899   95.238   92.302
LGA    S    91_B      S    91_B     0.677     0    0.075   0.081     0.926   92.857   92.063
LGA    K    92_B      K    92_B     0.742     0    0.067   0.114     2.912   90.476   77.249
LGA    P    93_B      P    93_B     0.147     0    0.027   0.065     0.726   97.619   95.918
LGA    I    94_B      I    94_B     0.399     0    0.029   0.071     0.497  100.000  100.000
LGA    S    95_B      S    95_B     0.427     0    0.037   0.628     1.652  100.000   93.889
LGA    I    96_B      I    96_B     0.225     0    0.020   0.082     0.292  100.000  100.000
LGA    N    97_B      N    97_B     0.096     0    0.024   1.021     2.382  100.000   92.202
LGA    Y    98_B      Y    98_B     0.113     0    0.014   0.119     1.129  100.000   94.484
LGA    R    99_B      R    99_B     0.223     3    0.038   0.192     0.478  100.000   72.727
LGA    T   100_B      T   100_B     0.331     0    0.014   0.111     0.507   97.619   98.639
LGA    P   101_B      P   101_B     0.749     0    0.054   0.078     0.862   92.857   91.837
LGA    H   102_B      H   102_B     0.853     0    0.510   1.094     6.044   84.048   59.952
LGA    H   103_B      H   103_B     1.304     0    0.621   0.663     7.372   71.071   44.524
LGA    H   104_B      H   104_B     4.548     5    0.609   0.598     7.533   40.476   16.905
LGA    H   105_B      H   105_B     3.340     0    0.085   1.151     8.665   48.333   27.714
LGA    H   106_B      H   106_B     3.144     0    0.604   0.841     8.261   46.667   30.667
LGA    H   107_B      H   107_B     6.508     0    0.161   1.277    10.365   10.238   15.857

# 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):     2.581          2.558                  3.351           83.569   77.215

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  106  106    4.0     98    1.29    87.028    82.783     7.070

LGA_LOCAL      RMSD:   1.286  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.721  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.581  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.039075 * X  +  -0.489426 * Y  +   0.871169 * Z  +  25.186892
  Y_new =   0.847020 * X  +   0.446310 * Y  +   0.288730 * Z  +  26.766060
  Z_new =  -0.530123 * X  +   0.749180 * Y  +   0.397114 * Z  +  47.970352 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.616896  0.558746  1.083387   [DEG:   92.6413   32.0138   62.0735 ]
ZXZ:  1.890831  1.162427 -0.615811   [DEG:  108.3366   66.6021  -35.2834 ]
 
# END of job
