
#######################################################
#                                                     #
#                        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       1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      66_A - 129_A       0.89     1.34
  LCS_AVERAGE:     48.58

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      7    7    8   11   19  105  122  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     59  125  125      7   20   38   72  103  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     59  125  125      7   65  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A     59  125  125     16   55  109  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A     59  125  125      7   79  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A     59  125  125     16   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A     59  125  125     31   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     59  125  125     31   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A     59  125  125     31   84  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A     59  125  125      7   64  109  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     59  125  125     36   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     59  125  125     36   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A     59  125  125     27   79  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A     59  125  125     17   64  108  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A     59  125  125     15   44   86  114  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A     59  125  125     33   76  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A     59  125  125     40   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     59  125  125     40   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A     59  125  125     38   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A     59  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A     59  125  125     21   80  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A     59  125  125     21   80  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A     59  125  125     21   80  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A     59  125  125     21   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A     59  125  125     33   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     59  125  125     36   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A     59  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A     59  125  125     15   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A     59  125  125      9   46  103  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A     59  125  125      8   46  103  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A     59  125  125     17   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A      4  125  125      3    4    6    9   22   39   60  111  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A     64  125  125      7   32   76  109  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A     64  125  125     15   46  102  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A     64  125  125     19   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A     64  125  125     30   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A     64  125  125     31   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A     64  125  125     39   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A     64  125  125     16   70  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A     64  125  125     12   46  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A     64  125  125     16   75  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A     64  125  125     21   70  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A     64  125  125     16   65  108  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A     64  125  125      8   46  108  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A     64  125  125     17   70  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A     64  125  125     22   79  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A     64  125  125     33   79  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A     64  125  125     34   83  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A     64  125  125     38   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A     64  125  125     38   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A     64  125  125     38   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A     64  125  125     39   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A     64  125  125     25   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A     64  125  125     37   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A     64  125  125     17   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A     64  125  125     17   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A     64  125  125      4   77  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A     64  125  125      8   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A     64  125  125     39   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A     64  125  125     38   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     64  125  125     39   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A     64  125  125     40   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A     64  125  125     41   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A     64  125  125     40   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     64  125  125     40   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     64  125  125     39   86  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A     64  125  125     26   85  111  120  121  123  123  124  124  124  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  82.86  (  48.58  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     41     86    111    120    121    123    123    124    124    124    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  32.80  68.80  88.80  96.00  96.80  98.40  98.40  99.20  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.66   0.84   0.97   1.00   1.08   1.08   1.17   1.17   1.17   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28
GDT RMS_ALL_AT   1.36   1.32   1.30   1.29   1.29   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28

# Checking swapping
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     4.827     0    0.145   0.157     5.798   26.429   27.738
LGA    K     6_A      K     6_A     3.547     0    0.054   1.169     4.823   59.881   44.709
LGA    C     7_A      C     7_A     1.441     0    0.046   0.163     2.784   69.048   67.698
LGA    T     8_A      T     8_A     2.471     0    0.011   0.038     4.772   70.833   56.463
LGA    F     9_A      F     9_A     1.098     0    0.014   0.104     4.253   75.119   58.182
LGA    S    10_A      S    10_A     1.681     0    0.026   0.057     3.108   77.143   69.286
LGA    A    11_A      A    11_A     1.403     0    0.143   0.154     1.911   75.000   78.095
LGA    P    12_A      P    12_A     1.721     0    0.041   0.289     2.033   72.857   72.925
LGA    S    13_A      S    13_A     1.599     0    0.011   0.042     1.677   77.143   75.714
LGA    H    14_A      H    14_A     0.918     0    0.043   0.206     1.276   88.214   91.476
LGA    S    15_A      S    15_A     1.137     0    0.034   0.657     1.468   81.429   81.429
LGA    T    16_A      T    16_A     1.416     0    0.029   0.030     1.912   81.429   77.755
LGA    S    17_A      S    17_A     1.015     0    0.044   0.045     1.116   85.952   85.952
LGA    L    18_A      L    18_A     0.764     0    0.010   1.370     2.804   90.476   81.012
LGA    L    19_A      L    19_A     1.127     0    0.028   1.388     2.877   81.429   76.310
LGA    Q    20_A      Q    20_A     1.244     0    0.012   0.730     2.214   81.429   82.646
LGA    G    21_A      G    21_A     0.964     0    0.077   0.077     1.043   88.214   88.214
LGA    L    22_A      L    22_A     0.828     0    0.012   0.084     0.929   90.476   90.476
LGA    A    23_A      A    23_A     0.863     0    0.012   0.018     0.938   90.476   90.476
LGA    T    24_A      T    24_A     1.016     0    0.092   1.139     3.596   85.952   77.347
LGA    L    25_A      L    25_A     0.849     0    0.022   0.117     0.952   90.476   91.667
LGA    R    26_A      R    26_A     0.757     0    0.042   0.389     1.743   88.214   85.584
LGA    A    27_A      A    27_A     1.098     0    0.030   0.038     1.303   81.429   81.429
LGA    Q    28_A      Q    28_A     1.064     0    0.018   0.935     3.417   81.429   81.005
LGA    G    29_A      G    29_A     1.154     0    0.007   0.007     1.154   81.429   81.429
LGA    Q    30_A      Q    30_A     0.935     0    0.526   0.829     3.493   82.143   75.714
LGA    L    31_A      L    31_A     1.727     0    0.298   1.379     5.465   68.929   59.405
LGA    L    32_A      L    32_A     0.663     0    0.021   0.144     1.095   88.214   89.345
LGA    D    33_A      D    33_A     0.327     0    0.020   0.087     0.422  100.000  100.000
LGA    V    34_A      V    34_A     0.325     0    0.018   0.082     0.571   97.619   97.279
LGA    V    35_A      V    35_A     0.397     0    0.050   0.059     0.750   95.238   97.279
LGA    L    36_A      L    36_A     0.737     0    0.030   0.130     1.075   92.857   88.274
LGA    T    37_A      T    37_A     0.608     0    0.053   1.130     2.482   90.476   83.129
LGA    I    38_A      I    38_A     1.100     0    0.060   0.096     1.242   83.690   82.560
LGA    N    39_A      N    39_A     1.702     0    0.603   0.583     3.296   75.000   65.238
LGA    R    40_A      R    40_A     2.524     0    0.108   1.192     3.527   60.952   64.632
LGA    E    41_A      E    41_A     1.316     0    0.023   0.096     1.959   83.810   77.725
LGA    A    42_A      A    42_A     0.399     0    0.041   0.048     0.690   92.857   94.286
LGA    F    43_A      F    43_A     0.737     0    0.058   0.108     1.164   90.476   88.831
LGA    P    44_A      P    44_A     0.527     0    0.032   0.355     1.634   92.857   89.320
LGA    A    45_A      A    45_A     0.309     0    0.060   0.079     0.467  100.000  100.000
LGA    H    46_A      H    46_A     0.104     0    0.000   1.033     5.552  100.000   70.571
LGA    K    47_A      K    47_A     0.250     0    0.016   0.088     0.609  100.000   96.825
LGA    V    48_A      V    48_A     0.324     0    0.051   0.964     2.079  100.000   89.728
LGA    V    49_A      V    49_A     0.374     0    0.012   0.041     0.610   97.619   97.279
LGA    L    50_A      L    50_A     0.468     0    0.027   0.141     1.458   97.619   91.786
LGA    A    51_A      A    51_A     0.249     0    0.085   0.089     0.914   95.238   96.190
LGA    A    52_A      A    52_A     0.641     0    0.144   0.159     1.150   90.595   90.571
LGA    C    53_A      C    53_A     1.171     0    0.097   0.110     1.585   85.952   81.587
LGA    S    54_A      S    54_A     1.054     0    0.090   0.096     1.172   85.952   84.444
LGA    D    55_A      D    55_A     1.145     0    0.041   0.086     2.010   85.952   79.464
LGA    Y    56_A      Y    56_A     0.816     0    0.026   0.061     1.755   95.238   83.889
LGA    F    57_A      F    57_A     0.323     0    0.020   0.118     1.796  100.000   87.489
LGA    R    58_A      R    58_A     0.537     0    0.026   1.107     7.288   92.857   62.078
LGA    A    59_A      A    59_A     0.527     0    0.042   0.045     0.680   97.619   96.190
LGA    M    60_A      M    60_A     0.224     0    0.060   1.176     2.860  100.000   84.702
LGA    F    61_A      F    61_A     1.179     0    0.021   0.190     1.804   81.548   80.693
LGA    T    62_A      T    62_A     1.764     0    0.061   0.093     2.103   72.976   72.925
LGA    G    63_A      G    63_A     1.912     0    0.666   0.666     4.011   63.929   63.929
LGA    G    64_A      G    64_A     1.309     0    0.605   0.605     4.282   62.500   62.500
LGA    M    65_A      M    65_A     6.098     0    0.661   1.360    11.311   32.262   16.726
LGA    R    66_A      R    66_A     3.148     0    0.060   1.012     9.466   58.333   37.013
LGA    E    67_A      E    67_A     2.163     0    0.095   1.085     3.811   73.452   64.550
LGA    A    68_A      A    68_A     1.321     0    0.034   0.035     1.895   79.286   78.000
LGA    S    69_A      S    69_A     1.122     0    0.028   0.591     3.547   85.952   78.095
LGA    Q    70_A      Q    70_A     0.692     0    0.082   0.967     3.642   92.857   77.937
LGA    D    71_A      D    71_A     0.496     0    0.057   0.386     2.510   92.857   81.964
LGA    V    72_A      V    72_A     1.175     0    0.050   0.089     1.716   81.548   80.272
LGA    I    73_A      I    73_A     1.505     0    0.040   0.055     1.919   79.286   76.071
LGA    E    74_A      E    74_A     1.242     0    0.016   0.107     1.468   81.429   81.429
LGA    L    75_A      L    75_A     1.389     0    0.093   0.126     1.617   77.143   79.286
LGA    K    76_A      K    76_A     1.674     0    0.655   0.546     3.637   65.476   69.577
LGA    G    77_A      G    77_A     1.906     0    0.104   0.104     2.041   70.833   70.833
LGA    V    78_A      V    78_A     1.475     0    0.035   0.079     1.923   83.690   79.048
LGA    S    79_A      S    79_A     1.278     0    0.124   0.495     2.013   81.429   80.159
LGA    A    80_A      A    80_A     1.195     0    0.046   0.054     1.440   83.690   83.238
LGA    R    81_A      R    81_A     0.913     0    0.028   1.009     6.256   90.476   69.177
LGA    G    82_A      G    82_A     0.423     0    0.086   0.086     0.597   95.238   95.238
LGA    L    83_A      L    83_A     0.524     0    0.027   0.148     0.984   97.619   94.048
LGA    R    84_A      R    84_A     0.431     0    0.024   0.703     3.047  100.000   75.974
LGA    H    85_A      H    85_A     0.499     0    0.025   0.298     1.160  100.000   92.476
LGA    I    86_A      I    86_A     0.450     0    0.022   0.131     0.495  100.000  100.000
LGA    I    87_A      I    87_A     0.503     0    0.032   0.052     1.056   95.238   91.726
LGA    D    88_A      D    88_A     0.483     0    0.042   0.130     1.016   97.619   92.917
LGA    F    89_A      F    89_A     0.315     0    0.047   0.197     0.452  100.000  100.000
LGA    A    90_A      A    90_A     0.376     0    0.019   0.024     0.716   97.619   98.095
LGA    Y    91_A      Y    91_A     0.401     0    0.088   0.131     0.695   97.619   96.825
LGA    S    92_A      S    92_A     0.574     0    0.018   0.053     0.866   90.476   90.476
LGA    A    93_A      A    93_A     0.868     0    0.015   0.019     1.124   90.476   88.667
LGA    E    94_A      E    94_A     0.765     0    0.024   0.157     1.854   90.476   83.598
LGA    V    95_A      V    95_A     0.773     0    0.012   0.046     0.974   90.476   90.476
LGA    T    96_A      T    96_A     0.737     0    0.025   0.041     1.137   90.476   87.891
LGA    L    97_A      L    97_A     0.853     0    0.050   0.109     1.899   90.476   83.810
LGA    D    98_A      D    98_A     0.862     0    0.090   0.232     1.312   90.476   88.214
LGA    L    99_A      L    99_A     1.463     0    0.056   1.377     4.178   79.286   72.679
LGA    D   100_A      D   100_A     1.181     0    0.058   0.906     3.973   85.952   71.131
LGA    C   101_A      C   101_A     0.762     0    0.027   0.073     0.854   90.476   90.476
LGA    V   102_A      V   102_A     0.742     0    0.036   1.010     3.060   90.476   82.177
LGA    Q   103_A      Q   103_A     0.668     0    0.049   0.260     1.647   95.238   87.619
LGA    D   104_A      D   104_A     0.424     0    0.023   0.132     0.644   97.619   96.429
LGA    V   105_A      V   105_A     0.425     0    0.025   0.072     0.599  100.000   97.279
LGA    L   106_A      L   106_A     0.469     0    0.051   0.129     0.521   97.619   98.810
LGA    G   107_A      G   107_A     0.472     0    0.068   0.068     0.531   97.619   97.619
LGA    A   108_A      A   108_A     0.491     0    0.054   0.056     0.545  100.000   98.095
LGA    A   109_A      A   109_A     0.403     0    0.024   0.027     0.528   97.619   98.095
LGA    V   110_A      V   110_A     0.641     0    0.018   0.032     0.753   90.476   90.476
LGA    F   111_A      F   111_A     0.763     0    0.020   0.337     1.525   90.476   83.160
LGA    L   112_A      L   112_A     0.384     0    0.039   0.058     0.899   97.619   95.238
LGA    Q   113_A      Q   113_A     0.504     0    0.050   0.115     1.029   90.595   90.529
LGA    M   114_A      M   114_A     0.621     0    0.042   0.652     1.966   95.238   90.655
LGA    L   115_A      L   115_A     0.480     0    0.050   1.439     4.118   97.619   78.512
LGA    P   116_A      P   116_A     0.403     0    0.022   0.318     0.873  100.000   95.918
LGA    V   117_A      V   117_A     0.358     0    0.021   0.055     0.389  100.000  100.000
LGA    V   118_A      V   118_A     0.405     0    0.026   0.044     0.507   97.619   98.639
LGA    E   119_A      E   119_A     0.632     0    0.029   0.425     1.739   90.476   86.508
LGA    L   120_A      L   120_A     0.585     0    0.013   0.126     0.723   90.476   94.048
LGA    C   121_A      C   121_A     0.503     0    0.021   0.060     0.618   90.476   92.063
LGA    E   122_A      E   122_A     0.764     0    0.021   0.187     1.217   90.476   89.471
LGA    E   123_A      E   123_A     1.054     0    0.004   0.964     5.663   83.690   60.582
LGA    F   124_A      F   124_A     0.863     0    0.045   0.355     1.363   90.476   88.831
LGA    L   125_A      L   125_A     0.680     0    0.026   0.111     0.721   90.476   90.476
LGA    K   126_A      K   126_A     0.924     0    0.003   1.050     5.681   88.214   66.561
LGA    A   127_A      A   127_A     0.956     0    0.012   0.015     0.978   90.476   90.476
LGA    A   128_A      A   128_A     0.941     0    0.032   0.035     1.019   85.952   86.857
LGA    M   129_A      M   129_A     1.254     0    0.632   1.481     6.519   79.286   66.310

# 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):     1.280          1.274                  1.850           86.871   82.403

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    124    1.17    91.000    95.905     9.796

LGA_LOCAL      RMSD:   1.166  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.283  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.280  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.596324 * X  +  -0.454598 * Y  +   0.661618 * Z  +  40.453259
  Y_new =   0.223303 * X  +   0.697725 * Y  +   0.680673 * Z  + -11.818435
  Z_new =  -0.771060 * X  +   0.553643 * Y  +  -0.314557 * Z  +  -3.513583 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.783290  0.880504  2.087473   [DEG:  159.4708   50.4492  119.6034 ]
ZXZ:  2.370389  1.890786 -0.948073   [DEG:  135.8133  108.3340  -54.3206 ]
 
# END of job
