
#######################################################
#                                                     #
#                        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       2.37     2.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      68_A - 129_A       1.88     2.63
  LCS_AVERAGE:     48.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56       7_A - 62_A        1.00     3.04
  LCS_AVERAGE:     37.35

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      3   60  125      3   17   25   60   72   85  110  117  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A      3   60  125      3    5   40   72  102  111  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     56   60  125     19   55   88  105  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A     56   60  125     13   55   87  105  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A     56   60  125      4   64   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A     56   60  125     31   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A     56   60  125     26   66   90  105  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A     56   60  125      8   57   89  104  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A     56   60  125     24   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A     56   60  125     25   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     56   60  125     26   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A     56   60  125     26   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A     56   60  125     25   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A     56   60  125     18   34   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A     56   60  125      4   30   73  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A     56   60  125      3    3   45  104  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A     56   60  125     20   57   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A     56   60  125     18   59   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A     56   60  125     25   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A     56   60  125     32   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A     56   60  125     32   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A     56   60  125     21   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A     56   60  125     18   39   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A     56   60  125     25   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A     56   60  125     25   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A     56   60  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A     56   60  125     32   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     56   60  125     32   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A     56   60  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A     56   60  125     32   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A     54   60  125     11   23   82  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A      5   60  125      4    5   13   22   54   75  113  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A      5   60  125      4    5    6    7    8   18   26   36   70  104  120  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A      4    7  125      3    3    4    5    9   19   47   54   58   95  120  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A      4    7  125      3    3    4    7   10   16   21   39   53   89  120  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A      4   62  125      3    3    4    5    9    9   15   22   42   55   97  122  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A      4   62  125      3    4    4    9   13   36   72  110  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A      4   62  125      3    4   14   21   58   87  113  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A     30   62  125     26   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A     30   62  125     23   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A     30   62  125     21   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A     30   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A     30   62  125     28   65   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A     30   62  125     17   57   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A     30   62  125     13   65   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A     34   62  125     18   63   85  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A     45   62  125     10   50   82  105  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A     47   62  125     18   63   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A     47   62  125     28   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A     47   62  125     21   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A     47   62  125     13   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A     47   62  125      9   59   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A     47   62  125      6   54   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A     47   62  125      6   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A     47   62  125     10   58   88  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A     47   62  125     19   59   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A     47   62  125     19   65   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A     47   62  125     19   65   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A     47   62  125     19   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A     47   62  125     19   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A     47   62  125     33   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A     47   62  125     19   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A     47   62  125     12   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A     47   62  125     19   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A     47   62  125     19   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A     47   62  125     19   66   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A     47   62  125     19   59   90  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A     47   62  125     19   52   89  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A     47   62  125     19   59   89  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A     47   62  125     19   52   89  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     47   62  125     19   49   82  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A     47   62  125     19   49   82  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A     47   62  125     19   49   85  106  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A     47   62  125     19   49   76  105  112  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     47   62  125      5   30   62   89  111  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     34   62  125      5    9   30   75   95  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A     31   62  125      5    9   25   62   93  114  117  119  121  121  121  124  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  61.82  (  37.35   48.12  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     33     66     90    106    112    114    117    119    121    121    121    124    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  26.40  52.80  72.00  84.80  89.60  91.20  93.60  95.20  96.80  96.80  96.80  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.62   0.86   1.12   1.21   1.27   1.45   1.62   1.84   1.84   1.84   2.25   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37
GDT RMS_ALL_AT   2.79   2.74   2.69   2.61   2.60   2.56   2.50   2.45   2.41   2.41   2.41   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37   2.37

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   119_A      E   119_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     6.739     0    0.082   1.408     9.209   11.310   17.560
LGA    K     6_A      K     6_A     4.751     0    0.156   1.130    10.468   33.571   17.672
LGA    C     7_A      C     7_A     1.623     0    0.156   0.312     5.847   77.262   63.413
LGA    T     8_A      T     8_A     1.935     0    0.050   0.072     5.080   65.119   53.333
LGA    F     9_A      F     9_A     1.986     0    0.114   1.313     9.012   83.810   42.597
LGA    S    10_A      S    10_A     1.143     0    0.063   0.622     2.385   79.286   78.730
LGA    A    11_A      A    11_A     1.143     0    0.091   0.095     1.186   81.429   81.429
LGA    P    12_A      P    12_A     1.403     0    0.035   0.288     1.504   79.286   80.204
LGA    S    13_A      S    13_A     1.637     0    0.055   0.067     1.899   77.143   75.714
LGA    H    14_A      H    14_A     1.144     0    0.053   0.201     1.353   81.429   84.143
LGA    S    15_A      S    15_A     0.719     0    0.069   0.069     1.068   88.214   87.460
LGA    T    16_A      T    16_A     1.194     0    0.038   1.161     3.548   81.429   74.762
LGA    S    17_A      S    17_A     1.304     0    0.045   0.725     3.758   81.429   75.079
LGA    L    18_A      L    18_A     1.117     0    0.033   1.422     3.565   81.429   73.512
LGA    L    19_A      L    19_A     1.257     0    0.048   0.899     3.492   81.429   73.333
LGA    Q    20_A      Q    20_A     1.193     0    0.035   0.262     1.341   81.429   81.429
LGA    G    21_A      G    21_A     1.173     0    0.039   0.039     1.203   81.429   81.429
LGA    L    22_A      L    22_A     1.004     0    0.039   1.430     3.675   81.429   72.679
LGA    A    23_A      A    23_A     1.310     0    0.041   0.052     1.490   81.429   81.429
LGA    T    24_A      T    24_A     1.476     0    0.075   1.109     3.982   79.286   73.537
LGA    L    25_A      L    25_A     1.420     0    0.038   0.281     1.769   79.286   80.417
LGA    R    26_A      R    26_A     1.282     0    0.029   1.172     3.854   77.143   74.848
LGA    A    27_A      A    27_A     1.830     0    0.064   0.064     2.442   68.810   69.619
LGA    Q    28_A      Q    28_A     2.113     0    0.183   0.999     2.899   66.786   64.868
LGA    G    29_A      G    29_A     2.240     0    0.073   0.073     2.240   64.762   64.762
LGA    Q    30_A      Q    30_A     1.838     0    0.044   0.995     3.595   75.000   72.434
LGA    L    31_A      L    31_A     1.694     0    0.025   0.135     2.225   77.143   71.964
LGA    L    32_A      L    32_A     1.105     0    0.113   1.531     4.718   81.429   64.167
LGA    D    33_A      D    33_A     1.407     0    0.206   0.916     2.396   85.952   80.536
LGA    V    34_A      V    34_A     0.709     0    0.018   0.114     0.885   90.476   91.837
LGA    V    35_A      V    35_A     0.578     0    0.037   0.072     1.213   95.238   91.905
LGA    L    36_A      L    36_A     0.792     0    0.101   0.193     1.610   90.476   84.881
LGA    T    37_A      T    37_A     0.851     0    0.135   0.175     1.018   88.214   90.544
LGA    I    38_A      I    38_A     1.819     0    0.034   1.498     4.700   75.000   64.881
LGA    N    39_A      N    39_A     2.275     0    0.623   0.646     3.761   68.810   57.738
LGA    R    40_A      R    40_A     3.035     0    0.181   1.536     5.103   63.571   49.091
LGA    E    41_A      E    41_A     1.781     0    0.135   0.693     3.415   77.381   67.037
LGA    A    42_A      A    42_A     0.627     0    0.085   0.085     1.488   83.690   85.048
LGA    F    43_A      F    43_A     1.444     0    0.133   0.286     3.665   85.952   67.879
LGA    P    44_A      P    44_A     1.127     0    0.060   0.119     1.772   83.690   79.048
LGA    A    45_A      A    45_A     0.653     0    0.021   0.044     0.857   90.476   92.381
LGA    H    46_A      H    46_A     0.819     0    0.057   0.132     1.308   90.476   86.857
LGA    K    47_A      K    47_A     0.775     0    0.040   0.148     1.387   90.476   88.466
LGA    V    48_A      V    48_A     0.866     0    0.060   0.099     1.167   90.476   89.184
LGA    V    49_A      V    49_A     0.537     0    0.027   0.124     0.757   92.857   93.197
LGA    L    50_A      L    50_A     0.452     0    0.033   0.051     1.222   92.857   89.405
LGA    A    51_A      A    51_A     0.865     0    0.076   0.073     1.526   83.810   83.333
LGA    A    52_A      A    52_A     1.271     0    0.151   0.155     1.937   81.548   79.810
LGA    C    53_A      C    53_A     1.648     0    0.205   0.756     2.258   79.286   77.222
LGA    S    54_A      S    54_A     1.259     0    0.075   0.479     1.525   81.429   80.000
LGA    D    55_A      D    55_A     1.642     0    0.066   0.829     4.145   77.143   62.976
LGA    Y    56_A      Y    56_A     1.094     0    0.029   0.070     1.284   85.952   87.460
LGA    F    57_A      F    57_A     0.675     0    0.030   0.524     1.903   90.476   85.628
LGA    R    58_A      R    58_A     0.998     0    0.029   1.356     6.717   85.952   62.035
LGA    A    59_A      A    59_A     1.076     0    0.036   0.039     1.118   85.952   85.048
LGA    M    60_A      M    60_A     0.841     0    0.060   0.203     1.105   88.214   90.536
LGA    F    61_A      F    61_A     0.963     0    0.136   0.508     1.816   83.810   85.584
LGA    T    62_A      T    62_A     1.541     0    0.554   1.339     4.701   71.429   64.966
LGA    G    63_A      G    63_A     1.737     0    0.166   0.166     3.313   65.357   65.357
LGA    G    64_A      G    64_A     5.051     0    0.277   0.277     9.017   21.905   21.905
LGA    M    65_A      M    65_A     9.350     0    0.096   0.700    16.088    9.405    4.702
LGA    R    66_A      R    66_A     9.198     0    0.639   1.622    18.171    1.905    0.693
LGA    E    67_A      E    67_A     8.586     0    0.679   1.133    11.485    4.881    3.016
LGA    A    68_A      A    68_A     9.372     0    0.669   0.606    11.125    4.405    3.524
LGA    S    69_A      S    69_A     7.714     0    0.647   0.888    10.636   12.619    8.889
LGA    Q    70_A      Q    70_A     6.069     0    0.068   1.131    11.053   29.405   13.968
LGA    D    71_A      D    71_A     1.206     0    0.702   1.304     6.128   79.286   52.381
LGA    V    72_A      V    72_A     0.774     0    0.096   0.100     1.253   88.214   87.891
LGA    I    73_A      I    73_A     0.663     0    0.070   1.229     3.531   95.238   77.738
LGA    E    74_A      E    74_A     0.529     0    0.050   1.015     4.731   88.214   69.947
LGA    L    75_A      L    75_A     1.397     0    0.196   0.997     3.000   75.119   75.238
LGA    K    76_A      K    76_A     2.251     0    0.132   0.875     5.531   64.762   51.481
LGA    G    77_A      G    77_A     2.132     0    0.056   0.056     2.225   64.762   64.762
LGA    V    78_A      V    78_A     2.386     0    0.031   0.100     2.695   66.786   63.741
LGA    S    79_A      S    79_A     2.662     0    0.129   0.218     3.681   62.976   57.540
LGA    A    80_A      A    80_A     2.164     0    0.052   0.071     2.605   68.810   66.476
LGA    R    81_A      R    81_A     1.861     0    0.041   0.978     5.530   72.857   63.593
LGA    G    82_A      G    82_A     1.595     0    0.030   0.030     1.721   77.143   77.143
LGA    L    83_A      L    83_A     1.095     0    0.036   1.104     3.015   85.952   77.857
LGA    R    84_A      R    84_A     0.989     0    0.054   1.374     4.330   88.214   61.991
LGA    H    85_A      H    85_A     1.079     0    0.042   0.681     2.385   83.690   79.810
LGA    I    86_A      I    86_A     0.953     0    0.025   0.140     1.155   90.476   87.083
LGA    I    87_A      I    87_A     0.538     0    0.030   1.173     3.320   95.238   79.524
LGA    D    88_A      D    88_A     0.556     0    0.045   0.205     0.905   95.238   94.048
LGA    F    89_A      F    89_A     0.455     0    0.035   0.140     0.723   97.619   93.074
LGA    A    90_A      A    90_A     0.304     0    0.046   0.046     0.330  100.000  100.000
LGA    Y    91_A      Y    91_A     0.355     0    0.172   0.213     1.107   92.976   96.865
LGA    S    92_A      S    92_A     0.636     0    0.037   0.081     0.883   90.476   90.476
LGA    A    93_A      A    93_A     0.681     0    0.021   0.023     0.812   90.476   90.476
LGA    E    94_A      E    94_A     0.738     0    0.041   0.898     3.717   90.476   80.423
LGA    V    95_A      V    95_A     0.609     0    0.016   1.174     3.200   90.476   79.932
LGA    T    96_A      T    96_A     0.704     0    0.023   1.052     3.251   88.214   79.728
LGA    L    97_A      L    97_A     0.951     0    0.145   0.223     1.359   90.476   87.083
LGA    D    98_A      D    98_A     1.759     0    0.107   1.044     3.571   81.548   68.571
LGA    L    99_A      L    99_A     1.463     0    0.072   1.373     3.323   81.429   74.345
LGA    D   100_A      D   100_A     0.513     0    0.053   0.991     3.461   88.214   76.012
LGA    C   101_A      C   101_A     1.287     0    0.271   0.285     2.015   88.214   80.397
LGA    V   102_A      V   102_A     0.903     0    0.047   1.206     3.121   90.476   82.177
LGA    Q   103_A      Q   103_A     0.985     0    0.036   1.090     3.542   85.952   74.656
LGA    D   104_A      D   104_A     1.085     0    0.033   0.288     1.934   85.952   82.619
LGA    V   105_A      V   105_A     0.747     0    0.027   0.071     1.044   90.476   89.184
LGA    L   106_A      L   106_A     0.538     0    0.045   1.150     2.522   92.857   84.286
LGA    G   107_A      G   107_A     0.515     0    0.030   0.030     0.576   95.238   95.238
LGA    A   108_A      A   108_A     0.537     0    0.056   0.056     0.705   95.238   94.286
LGA    A   109_A      A   109_A     0.430     0    0.028   0.039     0.526  100.000   98.095
LGA    V   110_A      V   110_A     0.326     0    0.032   0.105     0.403  100.000  100.000
LGA    F   111_A      F   111_A     0.342     0    0.038   0.532     1.980  100.000   90.779
LGA    L   112_A      L   112_A     0.837     0    0.123   0.149     1.895   90.476   84.881
LGA    Q   113_A      Q   113_A     0.830     0    0.043   0.777     3.666   90.476   80.582
LGA    M   114_A      M   114_A     1.108     0    0.093   1.151     2.640   81.429   75.238
LGA    L   115_A      L   115_A     1.071     0    0.035   1.466     5.318   85.952   66.488
LGA    P   116_A      P   116_A     0.608     0    0.067   0.155     1.144   90.476   89.184
LGA    V   117_A      V   117_A     0.740     0    0.023   0.102     0.902   90.476   90.476
LGA    V   118_A      V   118_A     0.639     0    0.037   0.073     0.847   90.476   91.837
LGA    E   119_A      E   119_A     0.899     0    0.040   0.668     2.474   85.952   77.037
LGA    L   120_A      L   120_A     1.231     0    0.031   1.014     2.973   79.286   77.321
LGA    C   121_A      C   121_A     1.057     0    0.036   0.061     1.144   81.429   84.444
LGA    E   122_A      E   122_A     1.148     0    0.029   0.280     1.980   81.429   80.476
LGA    E   123_A      E   123_A     1.672     0    0.029   0.887     5.777   75.000   56.878
LGA    F   124_A      F   124_A     1.669     0    0.047   0.217     1.781   72.857   75.974
LGA    L   125_A      L   125_A     1.642     0    0.032   0.289     1.967   72.857   76.071
LGA    K   126_A      K   126_A     1.801     0    0.046   1.397     6.711   66.905   53.810
LGA    A   127_A      A   127_A     2.757     0    0.042   0.048     3.642   53.810   54.476
LGA    A   128_A      A   128_A     3.867     0    0.092   0.089     4.332   41.905   40.952
LGA    M   129_A      M   129_A     4.045     0    0.631   1.035     7.362   33.214   33.333

# 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):     2.370          2.312                  3.113           77.392   72.124

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    119    1.62    83.200    77.857     6.918

LGA_LOCAL      RMSD:   1.620  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.451  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   2.370  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.857454 * X  +  -0.421702 * Y  +   0.294855 * Z  +   4.099691
  Y_new =  -0.505741 * X  +  -0.796309 * Y  +   0.331840 * Z  +  23.333435
  Z_new =   0.094858 * X  +  -0.433658 * Y  +  -0.896071 * Z  +  -0.261099 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.532899 -0.095001 -2.690863   [DEG:  -30.5329   -5.4431 -154.1751 ]
ZXZ:  2.415142  2.681634  2.926245   [DEG:  138.3774  153.6463  167.6615 ]
 
# END of job
