
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113       7_A - 119_A       2.61     2.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86      32_A - 117_A       1.99     3.36
  LCS_AVERAGE:     75.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      13_A - 66_A        0.99     5.79
  LONGEST_CONTINUOUS_SEGMENT:    54      65_A - 118_A       0.97     6.47
  LCS_AVERAGE:     47.45

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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     E     7_A     E     7_A     47   84  113     26   42   56   65   74   80   88  100  107  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     47   84  113     30   44   58   70   75   85   95  105  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     47   84  113     24   42   52   65   74   80   88   91  106  109  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     47   84  113     26   42   57   65   74   80   89  100  106  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     47   84  113     30   44   57   70   75   81   94  103  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     47   84  113     30   44   58   70   75   85   95  105  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     54   84  113     27   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     54   84  113     27   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     54   84  113      6   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     54   84  113      5   42   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     54   84  113     23   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     54   84  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     54   86  113     30   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     54   86  113     29   42   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     54   86  113     30   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     54   86  113     15   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     54   86  113      4   25   61   70   74   84   97  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     54   86  113      3   35   61   70   74   87  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     54   86  113     25   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     54   86  113     24   44   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     54   86  113     27   44   58   70   75   85  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     54   86  113     27   44   58   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     54   86  113     30   44   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     54   86  113     25   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     54   86  113     17   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     54   86  113     22   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     54   86  113     22   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     54   86  113     14   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     54   86  113      3   40   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     54   86  113      3   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     54   86  113     21   45   61   70   76   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     54   86  113     24   45   61   70   75   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     54   86  113     24   45   61   70   74   87  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     54   86  113     24   35   59   70   74   80   92  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     54   86  113     11   33   59   70   74   81   94  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     54   86  113     24   45   61   70   74   90  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     54   86  113     24   45   61   70   74   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     54   86  113     24   45   61   70   76   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     54   86  113     24   35   57   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     54   86  113     19   33   43   68   77   90  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     54   86  113     23   36   58   70   77   91  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     54   86  113     25   38   56   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     54   86  113     26   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     54   86  113     24   45   61   70   75   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     54   86  113     24   45   61   70   74   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     54   86  113     24   45   61   70   74   90  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     54   86  113     19   33   59   70   74   81   94  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     54   86  113     19   38   59   70   74   81   98  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     54   86  113     24   44   61   70   74   82  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     54   86  113     24   45   61   70   74   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     54   86  113     24   45   61   70   75   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     54   86  113     24   45   61   70   77   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     54   86  113     24   45   61   70   75   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     54   86  113     24   44   61   70   74   92  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     54   84  113     24   35   59   70   74   81  100  106  108  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     53   83  113      3   31   39   54   67   75   79   86  104  109  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  74.38  (  47.45   75.68  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     30     45     61     70     77     92    100    106    108    111    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  26.55  39.82  53.98  61.95  68.14  81.42  88.50  93.81  95.58  98.23 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.70   0.90   1.07   1.53   2.03   2.20   2.36   2.42   2.53   2.61   2.61   2.61   2.61   2.61   2.61   2.61   2.61   2.61   2.61
GDT RMS_ALL_AT   7.44   5.64   5.01   5.15   3.41   2.67   2.66   2.67   2.64   2.62   2.61   2.61   2.61   2.61   2.61   2.61   2.61   2.61   2.61   2.61

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     5.663     0    0.041   0.956     5.747   22.619   26.032
LGA    C     8_A      C     8_A     4.793     0    0.020   0.061     5.381   27.500   31.746
LGA    A     9_A      A     9_A     6.645     0    0.046   0.057     7.373   14.286   13.429
LGA    S    10_A      S    10_A     6.389     0    0.051   0.155     6.407   19.286   19.286
LGA    N    11_A      N    11_A     5.307     0    0.008   1.026     5.616   25.000   27.679
LGA    P    12_A      P    12_A     4.737     0    0.058   0.082     4.796   34.286   33.878
LGA    C    13_A      C    13_A     3.351     0    0.051   0.052     3.913   45.000   47.857
LGA    L    14_A      L    14_A     3.420     0    0.008   0.133     4.448   51.786   47.619
LGA    N    15_A      N    15_A     3.084     0    0.049   0.141     3.301   53.571   54.464
LGA    Q    16_A      Q    16_A     3.195     0    0.033   1.182     6.400   50.000   42.222
LGA    G    17_A      G    17_A     2.952     0    0.090   0.090     3.451   53.571   53.571
LGA    T    18_A      T    18_A     2.731     0    0.099   1.145     4.471   59.048   54.354
LGA    C    19_A      C    19_A     3.026     0    0.062   0.072     3.530   51.786   50.079
LGA    I    20_A      I    20_A     2.207     0    0.028   0.513     2.394   64.762   70.952
LGA    D    21_A      D    21_A     2.817     0    0.032   0.838     6.634   60.952   46.250
LGA    D    22_A      D    22_A     2.236     0    0.018   0.861     4.729   62.857   54.286
LGA    V    23_A      V    23_A     2.503     0    0.102   0.119     3.137   57.262   58.299
LGA    A    24_A      A    24_A     2.479     0    0.495   0.485     4.508   52.738   52.190
LGA    G    25_A      G    25_A     2.907     0    0.108   0.108     2.907   64.881   64.881
LGA    Y    26_A      Y    26_A     3.100     0    0.022   0.134     4.769   51.786   44.246
LGA    K    27_A      K    27_A     2.070     0    0.055   0.275     2.469   68.810   69.259
LGA    C    28_A      C    28_A     1.767     0    0.032   0.039     2.555   77.143   73.095
LGA    N    29_A      N    29_A     1.082     0    0.037   1.332     3.659   79.286   70.595
LGA    C    30_A      C    30_A     0.977     0    0.080   0.097     1.217   88.214   87.460
LGA    L    31_A      L    31_A     1.680     0    0.082   0.225     2.684   77.143   72.024
LGA    L    32_A      L    32_A     1.874     0    0.027   0.086     3.000   66.905   64.881
LGA    P    33_A      P    33_A     1.434     0    0.090   0.115     2.111   83.810   79.184
LGA    Y    34_A      Y    34_A     0.639     0    0.042   0.072     1.882   95.238   83.175
LGA    T    35_A      T    35_A     0.903     0    0.050   0.087     1.313   85.952   85.306
LGA    G    36_A      G    36_A     1.861     0    0.016   0.016     2.181   68.810   68.810
LGA    A    37_A      A    37_A     2.609     0    0.065   0.062     3.150   59.048   57.238
LGA    T    38_A      T    38_A     2.630     0    0.039   0.111     3.677   60.952   55.306
LGA    C    39_A      C    39_A     1.715     0    0.020   0.053     1.957   72.857   72.857
LGA    E    40_A      E    40_A     2.359     0    0.077   0.284     3.062   68.810   61.534
LGA    V    41_A      V    41_A     1.525     0    0.064   0.072     2.190   77.143   74.150
LGA    V    42_A      V    42_A     0.352     0    0.027   1.079     2.811   97.619   87.279
LGA    L    43_A      L    43_A     1.102     0    0.082   0.080     1.465   83.690   82.560
LGA    A    44_A      A    44_A     1.580     0    0.041   0.047     2.010   72.976   72.952
LGA    P    45_A      P    45_A     2.001     0    0.014   0.078     2.402   66.786   69.388
LGA    C    46_A      C    46_A     2.542     0    0.079   0.081     3.236   57.262   58.492
LGA    A    47_A      A    47_A     2.477     0    0.582   0.529     3.771   61.071   57.524
LGA    P    48_A      P    48_A     3.928     0    0.675   0.706     4.773   43.810   42.993
LGA    S    49_A      S    49_A     3.391     0    0.269   0.621     5.635   53.571   44.524
LGA    P    50_A      P    50_A     2.429     0    0.032   0.045     2.623   62.857   62.585
LGA    C    51_A      C    51_A     2.421     0    0.093   0.123     2.694   62.857   63.492
LGA    R    52_A      R    52_A     2.100     0    0.016   0.633     2.568   64.762   68.658
LGA    N    53_A      N    53_A     1.955     0    0.054   0.184     2.165   70.833   70.833
LGA    G    54_A      G    54_A     2.077     0    0.032   0.032     2.102   64.762   64.762
LGA    G    55_A      G    55_A     2.061     0    0.054   0.054     2.205   64.762   64.762
LGA    E    56_A      E    56_A     2.310     0    0.013   1.129     6.503   64.762   47.090
LGA    C    57_A      C    57_A     2.332     0    0.038   0.052     2.421   64.762   64.762
LGA    R    58_A      R    58_A     2.334     0    0.047   1.269     6.167   64.762   54.632
LGA    Q    59_A      Q    59_A     2.107     0    0.022   0.681     3.707   64.762   58.360
LGA    S    60_A      S    60_A     3.030     0    0.018   0.125     3.265   55.357   54.762
LGA    E    61_A      E    61_A     3.449     0    0.024   0.756     5.413   50.000   42.381
LGA    D    62_A      D    62_A     2.961     0    0.038   0.338     3.872   55.357   51.845
LGA    Y    63_A      Y    63_A     2.416     0    0.066   0.112     2.759   62.857   61.587
LGA    E    64_A      E    64_A     2.551     0    0.026   0.932     5.025   57.143   52.910
LGA    S    65_A      S    65_A     3.033     0    0.066   0.111     3.666   55.357   51.349
LGA    F    66_A      F    66_A     2.592     0    0.031   0.072     2.760   57.143   59.913
LGA    S    67_A      S    67_A     2.407     0    0.046   0.079     2.483   64.762   64.762
LGA    C    68_A      C    68_A     2.113     0    0.031   0.044     2.246   64.762   64.762
LGA    V    69_A      V    69_A     1.986     0    0.016   0.042     2.137   70.833   69.388
LGA    C    70_A      C    70_A     1.886     0    0.037   0.040     1.973   72.857   72.857
LGA    P    71_A      P    71_A     1.814     0    0.010   0.054     1.871   72.857   72.857
LGA    T    72_A      T    72_A     1.562     0    0.014   0.030     1.748   72.857   74.082
LGA    G    73_A      G    73_A     1.373     0    0.028   0.028     1.478   81.429   81.429
LGA    W    74_A      W    74_A     1.737     0    0.052   0.077     2.006   72.857   72.279
LGA    Q    75_A      Q    75_A     1.701     0    0.029   0.303     2.188   72.857   72.910
LGA    G    76_A      G    76_A     1.858     0    0.032   0.032     2.112   70.833   70.833
LGA    Q    77_A      Q    77_A     2.094     0    0.018   0.070     2.245   64.762   65.661
LGA    T    78_A      T    78_A     2.287     0    0.010   0.064     2.397   64.762   64.762
LGA    C    79_A      C    79_A     2.118     0    0.016   0.061     2.286   66.786   66.111
LGA    E    80_A      E    80_A     2.112     0    0.060   0.946     7.214   66.786   48.836
LGA    V    81_A      V    81_A     1.831     0    0.048   0.049     1.862   72.857   72.857
LGA    D    82_A      D    82_A     1.877     0    0.052   0.201     2.226   75.000   69.881
LGA    I    83_A      I    83_A     1.242     0    0.070   0.066     1.512   79.286   81.488
LGA    N    84_A      N    84_A     0.947     0    0.043   0.079     1.402   90.476   87.083
LGA    E    85_A      E    85_A     0.495     0    0.036   0.074     0.949   95.238   93.651
LGA    C    86_A      C    86_A     0.785     0    0.087   0.096     0.948   90.476   90.476
LGA    V    87_A      V    87_A     0.859     0    0.037   0.049     1.139   85.952   86.599
LGA    L    88_A      L    88_A     1.181     0    0.460   0.349     4.691   83.929   64.048
LGA    S    89_A      S    89_A     1.327     0    0.365   0.728     4.662   81.548   70.397
LGA    P    90_A      P    90_A     1.521     0    0.142   0.214     1.949   75.000   74.082
LGA    C    91_A      C    91_A     1.833     0    0.048   0.076     2.150   68.810   71.587
LGA    R    92_A      R    92_A     3.021     0    0.024   1.410     6.321   51.786   44.978
LGA    H    93_A      H    93_A     4.204     0    0.061   0.086     4.882   38.690   35.476
LGA    G    94_A      G    94_A     4.065     0    0.091   0.091     4.065   41.786   41.786
LGA    A    95_A      A    95_A     2.948     0    0.041   0.051     3.304   55.357   55.714
LGA    S    96_A      S    96_A     2.602     0    0.080   0.114     2.786   60.952   59.683
LGA    C    97_A      C    97_A     1.421     0    0.025   0.046     1.740   77.143   80.079
LGA    Q    98_A      Q    98_A     1.478     0    0.011   0.065     2.334   81.429   75.767
LGA    N    99_A      N    99_A     1.712     0    0.064   0.255     3.121   68.810   65.952
LGA    T   100_A      T   100_A     2.452     0    0.013   0.083     2.761   60.952   63.741
LGA    H   101_A      H   101_A     3.570     0    0.026   1.159     7.305   46.667   35.667
LGA    G   102_A      G   102_A     3.143     0    0.119   0.119     3.159   53.571   53.571
LGA    G   103_A      G   103_A     2.171     0    0.048   0.048     2.477   70.952   70.952
LGA    Y   104_A      Y   104_A     0.928     0    0.049   0.104     1.476   88.214   88.254
LGA    R   105_A      R   105_A     0.437     0    0.036   1.214     6.036   92.857   72.597
LGA    C   106_A      C   106_A     1.170     0    0.053   0.102     1.566   81.548   81.508
LGA    H   107_A      H   107_A     1.876     0    0.040   1.112     3.067   68.810   67.333
LGA    C   108_A      C   108_A     2.318     0    0.004   0.060     2.671   60.952   63.571
LGA    Q   109_A      Q   109_A     3.169     0    0.023   0.692     6.080   51.786   43.016
LGA    A   110_A      A   110_A     3.869     0    0.029   0.032     4.466   41.786   40.857
LGA    G   111_A      G   111_A     3.822     0    0.149   0.149     3.822   43.333   43.333
LGA    Y   112_A      Y   112_A     3.356     0    0.040   0.095     6.012   51.905   38.254
LGA    S   113_A      S   113_A     2.278     0    0.029   0.137     2.823   60.952   60.952
LGA    G   114_A      G   114_A     2.199     0    0.025   0.025     2.199   70.952   70.952
LGA    R   115_A      R   115_A     1.670     0    0.010   0.667     4.111   75.000   66.797
LGA    N   116_A      N   116_A     2.079     0    0.019   0.248     2.584   62.857   65.952
LGA    C   117_A      C   117_A     2.652     0    0.034   0.051     3.288   55.476   57.302
LGA    E   118_A      E   118_A     3.555     0    0.066   0.151     4.310   41.905   46.455
LGA    T   119_A      T   119_A     5.151     0    0.468   0.507     5.779   28.929   27.075

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.613          2.607                  2.859           63.689   61.238

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    106    2.36    73.894    78.556     4.312

LGA_LOCAL      RMSD:   2.358  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.672  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.613  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.782228 * X  +  -0.512954 * Y  +   0.353551 * Z  +   5.160010
  Y_new =   0.173920 * X  +  -0.724743 * Y  +  -0.666708 * Z  +  21.489296
  Z_new =   0.598224 * X  +  -0.460027 * Y  +   0.656127 * Z  +  30.690657 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.922812 -0.641283 -0.611481   [DEG:  167.4648  -36.7428  -35.0353 ]
ZXZ:  0.487588  0.855121  2.226340   [DEG:   27.9367   48.9948  127.5599 ]
 
# END of job
