
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , 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:   125       5_A - 129_A       1.34     1.34
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.34     1.34
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      10_A - 128_A       0.99     1.47
  LONGEST_CONTINUOUS_SEGMENT:   119      11_A - 129_A       0.98     1.50
  LCS_AVERAGE:     93.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A      9  125  125      4    6   44   69  104  119  123  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     18  125  125      5   30   87  108  118  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     21  125  125      4   17   36   77  108  120  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    111  125  125      4   30   52  104  118  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    115  125  125      4   17   87  105  118  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    119  125  125      4   75  102  114  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    119  125  125     45   88  105  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    119  125  125     36   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    119  125  125     49   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    119  125  125     33   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    119  125  125      4   86  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    119  125  125     42   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    119  125  125     36   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    119  125  125     36   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    119  125  125     19   68  107  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    119  125  125     36   89  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    119  125  125     42   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    119  125  125     51   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    119  125  125     44   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    119  125  125     30   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    119  125  125     48   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    119  125  125      3   37   84  116  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    119  125  125      4   31   84  116  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    119  125  125     13   36   99  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    119  125  125      8   85  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    119  125  125     28   85  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    119  125  125     28   84  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    119  125  125     35   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    119  125  125     36   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    119  125  125     40   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    119  125  125     30   87  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    119  125  125     39   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    119  125  125     57   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    119  125  125     49   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    119  125  125     33   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    119  125  125     21   71  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    119  125  125     30   75  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    119  125  125     30   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    119  125  125     48   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    119  125  125     50   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    119  125  125     36   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    119  125  125     46   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    119  125  125     56   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    119  125  125     55   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    119  125  125     46   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    119  125  125     49   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    119  125  125     56   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    119  125  125     36   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    119  125  125     30   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    119  125  125     59   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    119  125  125     30   90  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    119  125  125     29   42  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    119  125  125     29   40  104  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    119  125  125     30   42  106  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    119  125  125     30   71  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    119  125  125     30   88  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    119  125  125     30   42  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    119  125  125     30   70  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    119  125  125     30   84  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    119  125  125     30   70  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    119  125  125     30   41  104  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    119  125  125     30   71  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    119  125  125     30   71  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    119  125  125     30   57  104  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    119  125  125     30   41  104  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    119  125  125     30   70  108  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    119  125  125     30   57  104  117  120  123  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  97.72  (  93.15  100.00  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     59     90    108    117    120    123    124    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  47.20  72.00  86.40  93.60  96.00  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.54   0.81   0.94   1.00   1.18   1.26   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34
GDT RMS_ALL_AT   1.61   1.53   1.50   1.51   1.47   1.37   1.35   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34   1.34

# Checking swapping
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     5.252     0    0.151   1.376     9.574   31.667   22.976
LGA    K     6_A      K     6_A     2.920     0    0.039   0.238     4.721   43.810   53.333
LGA    C     7_A      C     7_A     4.527     0    0.014   0.107     7.084   45.476   35.556
LGA    T     8_A      T     8_A     3.124     0    0.026   0.046     4.187   45.119   48.231
LGA    F     9_A      F     9_A     2.956     0    0.064   1.264     9.475   67.143   36.320
LGA    S    10_A      S    10_A     1.459     0    0.098   0.614     2.624   79.286   75.952
LGA    A    11_A      A    11_A     0.252     0    0.109   0.112     0.534   97.619   98.095
LGA    P    12_A      P    12_A     0.587     0    0.030   0.277     1.358   92.857   91.905
LGA    S    13_A      S    13_A     0.882     0    0.058   0.065     1.046   90.476   88.968
LGA    H    14_A      H    14_A     0.712     0    0.012   0.081     0.836   90.476   90.476
LGA    S    15_A      S    15_A     0.526     0    0.070   0.166     0.595   95.238   95.238
LGA    T    16_A      T    16_A     0.292     0    0.037   0.106     0.559   97.619   98.639
LGA    S    17_A      S    17_A     0.676     0    0.020   0.018     0.859   92.857   92.063
LGA    L    18_A      L    18_A     0.730     0    0.026   0.258     1.058   90.476   89.345
LGA    L    19_A      L    19_A     0.480     0    0.012   0.046     0.646   92.857   92.857
LGA    Q    20_A      Q    20_A     0.701     0    0.018   0.228     0.860   90.476   90.476
LGA    G    21_A      G    21_A     0.924     0    0.046   0.046     0.924   90.476   90.476
LGA    L    22_A      L    22_A     0.752     0    0.012   0.070     0.823   90.476   90.476
LGA    A    23_A      A    23_A     0.710     0    0.014   0.027     0.820   90.476   90.476
LGA    T    24_A      T    24_A     1.151     0    0.095   1.118     3.231   83.690   78.231
LGA    L    25_A      L    25_A     1.178     0    0.030   0.131     1.495   81.429   81.429
LGA    R    26_A      R    26_A     0.774     0    0.028   0.167     1.001   90.476   90.519
LGA    A    27_A      A    27_A     0.979     0    0.013   0.033     1.132   85.952   85.048
LGA    Q    28_A      Q    28_A     1.313     0    0.026   0.976     3.589   81.429   75.291
LGA    G    29_A      G    29_A     1.339     0    0.025   0.025     1.525   79.286   79.286
LGA    Q    30_A      Q    30_A     1.319     0    0.027   0.817     3.701   83.690   72.011
LGA    L    31_A      L    31_A     1.278     0    0.021   0.106     1.711   81.429   78.214
LGA    L    32_A      L    32_A     0.759     0    0.079   0.222     1.113   90.476   89.345
LGA    D    33_A      D    33_A     0.997     0    0.022   0.046     1.053   88.214   87.083
LGA    V    34_A      V    34_A     0.607     0    0.046   0.082     0.764   90.476   90.476
LGA    V    35_A      V    35_A     0.515     0    0.063   0.070     0.833   95.238   93.197
LGA    L    36_A      L    36_A     0.453     0    0.027   0.087     0.546   95.238   96.429
LGA    T    37_A      T    37_A     0.572     0    0.030   0.096     0.792   90.476   90.476
LGA    I    38_A      I    38_A     0.862     0    0.029   0.066     1.138   85.952   88.214
LGA    N    39_A      N    39_A     1.375     0    0.055   0.127     1.443   81.429   81.429
LGA    R    40_A      R    40_A     1.590     0    0.050   1.282     5.863   79.286   62.857
LGA    E    41_A      E    41_A     1.116     0    0.064   0.628     1.363   85.952   85.450
LGA    A    42_A      A    42_A     0.585     0    0.022   0.039     1.013   88.214   90.571
LGA    F    43_A      F    43_A     0.791     0    0.056   0.074     1.363   90.476   88.009
LGA    P    44_A      P    44_A     0.760     0    0.051   0.345     1.857   88.214   85.374
LGA    A    45_A      A    45_A     0.341     0    0.031   0.033     0.472  100.000  100.000
LGA    H    46_A      H    46_A     0.568     0    0.026   0.116     1.238   92.857   89.619
LGA    K    47_A      K    47_A     0.653     0    0.043   0.181     0.690   90.476   90.476
LGA    V    48_A      V    48_A     0.797     0    0.062   0.090     1.044   90.476   89.184
LGA    V    49_A      V    49_A     0.654     0    0.024   0.047     0.759   90.476   90.476
LGA    L    50_A      L    50_A     0.501     0    0.025   0.081     0.972   92.857   92.857
LGA    A    51_A      A    51_A     0.900     0    0.015   0.015     1.155   85.952   86.857
LGA    A    52_A      A    52_A     1.209     0    0.102   0.122     1.697   81.548   81.524
LGA    C    53_A      C    53_A     1.538     0    0.122   0.748     1.917   79.286   78.571
LGA    S    54_A      S    54_A     1.254     0    0.041   0.061     1.270   81.429   81.429
LGA    D    55_A      D    55_A     1.455     0    0.066   0.090     2.860   83.690   74.286
LGA    Y    56_A      Y    56_A     0.913     0    0.012   0.030     1.107   88.214   88.214
LGA    F    57_A      F    57_A     0.500     0    0.027   0.113     0.806   90.476   90.476
LGA    R    58_A      R    58_A     0.892     0    0.056   1.030     7.839   90.476   63.160
LGA    A    59_A      A    59_A     1.030     0    0.034   0.044     1.063   85.952   85.048
LGA    M    60_A      M    60_A     0.744     0    0.044   0.097     1.080   88.214   89.345
LGA    F    61_A      F    61_A     0.988     0    0.038   0.076     1.420   85.952   88.831
LGA    T    62_A      T    62_A     1.567     0    0.021   0.046     1.833   75.000   74.082
LGA    G    63_A      G    63_A     1.520     0    0.673   0.673     3.527   67.619   67.619
LGA    G    64_A      G    64_A     1.963     0    0.031   0.031     2.735   69.048   69.048
LGA    M    65_A      M    65_A     1.969     0    0.096   0.641     4.171   75.000   64.524
LGA    R    66_A      R    66_A     1.693     0    0.027   0.830     1.852   77.143   78.312
LGA    E    67_A      E    67_A     0.975     0    0.055   0.153     2.029   85.952   80.688
LGA    A    68_A      A    68_A     1.040     0    0.038   0.046     1.109   81.429   83.238
LGA    S    69_A      S    69_A     1.128     0    0.015   0.020     1.448   85.952   84.444
LGA    Q    70_A      Q    70_A     0.894     0    0.010   0.309     1.447   90.476   89.471
LGA    D    71_A      D    71_A     0.820     0    0.038   0.076     1.482   92.857   87.143
LGA    V    72_A      V    72_A     0.510     0    0.009   0.036     0.641   92.857   91.837
LGA    I    73_A      I    73_A     0.283     0    0.014   0.066     0.421  100.000  100.000
LGA    E    74_A      E    74_A     0.492     0    0.056   0.230     1.374   95.238   92.646
LGA    L    75_A      L    75_A     0.590     0    0.200   0.262     1.359   88.214   94.107
LGA    K    76_A      K    76_A     1.126     0    0.052   0.616     2.026   83.690   81.587
LGA    G    77_A      G    77_A     1.125     0    0.082   0.082     1.377   81.429   81.429
LGA    V    78_A      V    78_A     1.228     0    0.024   1.041     3.832   85.952   79.864
LGA    S    79_A      S    79_A     1.262     0    0.089   0.502     1.900   83.690   83.016
LGA    A    80_A      A    80_A     1.080     0    0.040   0.038     1.223   83.690   83.238
LGA    R    81_A      R    81_A     0.827     0    0.044   0.215     0.923   90.476   90.476
LGA    G    82_A      G    82_A     0.513     0    0.038   0.038     0.689   95.238   95.238
LGA    L    83_A      L    83_A     0.334     0    0.021   0.070     0.428  100.000  100.000
LGA    R    84_A      R    84_A     0.441     0    0.023   1.127     6.055  100.000   67.965
LGA    H    85_A      H    85_A     0.427     0    0.037   0.179     0.962  100.000   95.238
LGA    I    86_A      I    86_A     0.412     0    0.021   0.146     0.686  100.000   97.619
LGA    I    87_A      I    87_A     0.377     0    0.036   0.062     0.563  100.000   98.810
LGA    D    88_A      D    88_A     0.380     0    0.038   0.199     0.534  100.000   98.810
LGA    F    89_A      F    89_A     0.355     0    0.031   0.161     0.610  100.000   98.268
LGA    A    90_A      A    90_A     0.284     0    0.089   0.088     0.627   97.619   98.095
LGA    Y    91_A      Y    91_A     0.342     0    0.049   0.103     0.408  100.000  100.000
LGA    S    92_A      S    92_A     0.438     0    0.024   0.099     0.522   97.619   98.413
LGA    A    93_A      A    93_A     0.482     0    0.028   0.042     0.615   97.619   96.190
LGA    E    94_A      E    94_A     0.421     0    0.044   0.140     1.062  100.000   93.704
LGA    V    95_A      V    95_A     0.677     0    0.058   0.063     1.121   88.214   89.184
LGA    T    96_A      T    96_A     1.210     0    0.042   0.129     1.915   83.690   81.497
LGA    L    97_A      L    97_A     0.971     0    0.048   0.113     1.124   85.952   85.952
LGA    D    98_A      D    98_A     0.647     0    0.016   0.045     1.088   90.476   89.345
LGA    L    99_A      L    99_A     0.542     0    0.015   0.072     1.116   90.476   89.345
LGA    D   100_A      D   100_A     0.984     0    0.022   0.929     3.873   85.952   71.131
LGA    C   101_A      C   101_A     1.014     0    0.079   0.099     1.248   88.214   85.952
LGA    V   102_A      V   102_A     0.480     0    0.027   0.031     0.715   97.619   98.639
LGA    Q   103_A      Q   103_A     0.597     0    0.022   0.772     4.006   90.476   75.608
LGA    D   104_A      D   104_A     0.816     0    0.008   0.310     1.400   90.476   89.345
LGA    V   105_A      V   105_A     0.524     0    0.020   0.052     0.910   95.238   93.197
LGA    L   106_A      L   106_A     0.456     0    0.025   0.080     1.216   95.238   90.595
LGA    G   107_A      G   107_A     0.988     0    0.035   0.035     0.988   90.476   90.476
LGA    A   108_A      A   108_A     0.739     0    0.056   0.061     0.890   95.238   94.286
LGA    A   109_A      A   109_A     0.260     0    0.030   0.037     0.510   97.619   98.095
LGA    V   110_A      V   110_A     0.905     0    0.026   0.043     1.420   88.214   85.306
LGA    F   111_A      F   111_A     1.033     0    0.007   0.459     2.106   88.214   80.043
LGA    L   112_A      L   112_A     0.278     0    0.017   0.043     1.157   97.619   92.917
LGA    Q   113_A      Q   113_A     1.092     0    0.040   0.477     1.561   81.548   81.481
LGA    M   114_A      M   114_A     1.697     0    0.064   1.141     2.395   77.143   71.964
LGA    L   115_A      L   115_A     2.218     0    0.051   1.400     5.456   64.762   52.083
LGA    P   116_A      P   116_A     2.158     0    0.024   0.030     2.639   68.810   64.898
LGA    V   117_A      V   117_A     1.312     0    0.025   0.101     1.606   79.286   81.497
LGA    V   118_A      V   118_A     1.301     0    0.023   0.054     1.596   77.143   77.755
LGA    E   119_A      E   119_A     2.115     0    0.064   0.481     3.623   66.786   61.587
LGA    L   120_A      L   120_A     1.866     0    0.033   1.400     4.433   72.857   64.464
LGA    C   121_A      C   121_A     1.221     0    0.007   0.058     1.484   81.429   84.444
LGA    E   122_A      E   122_A     1.999     0    0.017   0.357     3.511   68.810   63.333
LGA    E   123_A      E   123_A     2.471     0    0.035   0.836     4.909   64.762   51.005
LGA    F   124_A      F   124_A     1.694     0    0.035   0.174     1.919   72.857   84.113
LGA    L   125_A      L   125_A     1.740     0    0.027   0.048     2.089   68.810   72.976
LGA    K   126_A      K   126_A     2.609     0    0.033   1.420     7.963   59.048   42.487
LGA    A   127_A      A   127_A     2.466     0    0.042   0.040     2.493   64.762   64.762
LGA    A   128_A      A   128_A     1.910     0    0.094   0.090     2.356   66.786   69.714
LGA    M   129_A      M   129_A     2.405     0    0.104   1.133     6.013   59.167   54.167

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     1.345          1.335                  1.768           85.106   82.559

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.34    91.400    95.919     8.651

LGA_LOCAL      RMSD:   1.345  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.345  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.345  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.574001 * X  +   0.818426 * Y  +  -0.026468 * Z  +  -0.783208
  Y_new =   0.816745 * X  +  -0.569906 * Y  +   0.090192 * Z  +   1.102140
  Z_new =   0.058731 * X  +  -0.073388 * Y  +  -0.995573 * Z  + -20.266392 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.958200 -0.058765 -3.068012   [DEG:   54.9008   -3.3670 -175.7841 ]
ZXZ: -2.856144  3.047458  2.466678   [DEG: -163.6450  174.6065  141.3302 ]
 
# END of job
