
#######################################################
#                                                     #
#                        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       2.99     2.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      68_A - 129_A       1.89     3.21
  LCS_AVERAGE:     46.28

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      11_A - 62_A        0.91     3.39
  LONGEST_CONTINUOUS_SEGMENT:    52      12_A - 63_A        0.97     3.30
  LCS_AVERAGE:     36.71

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    3  125      0    3    3    3    3    3    5    7    8    9   11   13   16   29   70   77  116  118  120  121 
LCS_GDT     K     6_A     K     6_A      3    3  125      0    3    3    3    3    4    5    6    8    9   11   22   59   85   92  116  119  119  120  123 
LCS_GDT     C     7_A     C     7_A      3    3  125      0    3    3    3    4    5    6    7    8   10   20   47   59   85  102  116  119  119  120  121 
LCS_GDT     T     8_A     T     8_A      5   58  125      3    4    6    8   19   64   97  115  115  115  116  118  118  121  122  122  122  122  122  123 
LCS_GDT     F     9_A     F     9_A      5   58  125      3    5   40   87  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     S    10_A     S    10_A     29   58  125      3    7   50   90  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    11_A     A    11_A     52   58  125      6   60   83  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     P    12_A     P    12_A     52   58  125     26   65   90  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     S    13_A     S    13_A     52   58  125     26   65   91  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     H    14_A     H    14_A     52   58  125     26   67   93  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     S    15_A     S    15_A     52   58  125     17   67   93  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     T    16_A     T    16_A     52   58  125     26   67   93  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     S    17_A     S    17_A     52   58  125     26   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    18_A     L    18_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    19_A     L    19_A     52   58  125     26   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Q    20_A     Q    20_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     G    21_A     G    21_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    22_A     L    22_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    23_A     A    23_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     T    24_A     T    24_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    25_A     L    25_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     R    26_A     R    26_A     52   58  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    27_A     A    27_A     52   58  125     26   67   93  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Q    28_A     Q    28_A     52   58  125     26   67   93  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     G    29_A     G    29_A     52   58  125     10   62   90  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Q    30_A     Q    30_A     52   58  125     27   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    31_A     L    31_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    32_A     L    32_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     D    33_A     D    33_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V    34_A     V    34_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V    35_A     V    35_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    36_A     L    36_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     T    37_A     T    37_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     I    38_A     I    38_A     52   58  125      7   45   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     N    39_A     N    39_A     52   58  125      5   10   75  108  112  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     R    40_A     R    40_A     52   58  125      4   57   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     E    41_A     E    41_A     52   58  125     27   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    42_A     A    42_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     F    43_A     F    43_A     52   58  125     12   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     P    44_A     P    44_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    45_A     A    45_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     H    46_A     H    46_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     K    47_A     K    47_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V    48_A     V    48_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V    49_A     V    49_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    50_A     L    50_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    51_A     A    51_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    52_A     A    52_A     52   58  125     24   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     C    53_A     C    53_A     52   58  125     16   51   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     S    54_A     S    54_A     52   58  125     24   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     D    55_A     D    55_A     52   58  125     27   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Y    56_A     Y    56_A     52   58  125     27   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     F    57_A     F    57_A     52   58  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     R    58_A     R    58_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    59_A     A    59_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     M    60_A     M    60_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     F    61_A     F    61_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     T    62_A     T    62_A     52   58  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     G    63_A     G    63_A     52   58  125      3   25   80  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     G    64_A     G    64_A      5   58  125      3    4   10   19   28   83  110  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     M    65_A     M    65_A      5   58  125      3    4    5    8    9   20   30   45   90  113  116  119  120  121  122  122  122  122  122  123 
LCS_GDT     R    66_A     R    66_A      3    7  125      3    3    4    7    8   13   27   35   54   78  111  119  120  121  122  122  122  122  122  123 
LCS_GDT     E    67_A     E    67_A      3    7  125      3    3    4    7    8   14   21   39   48   70  111  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    68_A     A    68_A      3   62  125      3    3    4    5    8    8   14   21   30   50   88  110  120  121  122  122  122  122  122  123 
LCS_GDT     S    69_A     S    69_A      4   62  125      3    4    7    9   16   44   87  109  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Q    70_A     Q    70_A      4   62  125      3    4    5    5   49   79  108  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     D    71_A     D    71_A     45   62  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V    72_A     V    72_A     45   62  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     I    73_A     I    73_A     45   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     E    74_A     E    74_A     45   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    75_A     L    75_A     45   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     K    76_A     K    76_A     45   62  125      4   45   82  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     G    77_A     G    77_A     45   62  125     18   61   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V    78_A     V    78_A     45   62  125     22   62   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     S    79_A     S    79_A     45   62  125     11   57   85  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    80_A     A    80_A     50   62  125     24   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     R    81_A     R    81_A     50   62  125     34   66   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     G    82_A     G    82_A     50   62  125     27   66   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    83_A     L    83_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     R    84_A     R    84_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     H    85_A     H    85_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     I    86_A     I    86_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     I    87_A     I    87_A     50   62  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     D    88_A     D    88_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     F    89_A     F    89_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    90_A     A    90_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Y    91_A     Y    91_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     S    92_A     S    92_A     50   62  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A    93_A     A    93_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     E    94_A     E    94_A     50   62  125     34   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V    95_A     V    95_A     50   62  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     T    96_A     T    96_A     50   62  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    97_A     L    97_A     50   62  125     26   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     D    98_A     D    98_A     50   62  125      3   64   85  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L    99_A     L    99_A     50   62  125     27   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     D   100_A     D   100_A     50   62  125      9   45   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     C   101_A     C   101_A     50   62  125     12   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V   102_A     V   102_A     50   62  125     25   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Q   103_A     Q   103_A     50   62  125     13   48   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     D   104_A     D   104_A     50   62  125     12   48   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V   105_A     V   105_A     50   62  125     26   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L   106_A     L   106_A     50   62  125     26   66   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     G   107_A     G   107_A     50   62  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A   108_A     A   108_A     50   62  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A   109_A     A   109_A     50   62  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V   110_A     V   110_A     50   62  125     30   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     F   111_A     F   111_A     50   62  125     32   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L   112_A     L   112_A     50   62  125     29   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     Q   113_A     Q   113_A     50   62  125     25   67   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     M   114_A     M   114_A     50   62  125     19   53   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L   115_A     L   115_A     50   62  125     19   53   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     P   116_A     P   116_A     50   62  125     21   57   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V   117_A     V   117_A     50   62  125     21   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     V   118_A     V   118_A     50   62  125     25   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     E   119_A     E   119_A     50   62  125     19   53   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L   120_A     L   120_A     50   62  125     19   53   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     C   121_A     C   121_A     50   62  125     25   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     E   122_A     E   122_A     50   62  125     25   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     E   123_A     E   123_A     50   62  125     21   55   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     F   124_A     F   124_A     50   62  125     25   55   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     L   125_A     L   125_A     50   62  125     25   65   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     K   126_A     K   126_A     50   62  125     25   58   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A   127_A     A   127_A     50   62  125     25   57   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     A   128_A     A   128_A     50   62  125     21   55   94  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_GDT     M   129_A     M   129_A     50   62  125      4   45   92  108  113  114  114  115  117  117  117  119  120  121  122  122  122  122  122  123 
LCS_AVERAGE  LCS_A:  61.00  (  36.71   46.28  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     34     67     94    108    113    114    114    115    117    117    117    119    120    121    122    122    122    122    122    123 
GDT PERCENT_AT  27.20  53.60  75.20  86.40  90.40  91.20  91.20  92.00  93.60  93.60  93.60  95.20  96.00  96.80  97.60  97.60  97.60  97.60  97.60  98.40
GDT RMS_LOCAL    0.34   0.62   0.93   1.07   1.21   1.22   1.22   1.34   1.62   1.62   1.62   1.99   2.13   2.28   2.34   2.34   2.34   2.34   2.34   2.55
GDT RMS_ALL_AT   3.44   3.24   3.21   3.15   3.09   3.09   3.09   3.08   3.04   3.04   3.04   3.04   3.04   3.04   3.02   3.02   3.02   3.02   3.02   3.01

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  D    55_A      D    55_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:  D   100_A      D   100_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    13.407     0    0.302   1.084    15.875    0.000    0.000
LGA    K     6_A      K     6_A    11.851     0    0.624   1.444    13.221    0.000    0.053
LGA    C     7_A      C     7_A    11.938     0    0.618   0.873    13.664    0.238    0.159
LGA    T     8_A      T     8_A     5.653     0    0.594   0.567     7.893   17.976   33.401
LGA    F     9_A      F     9_A     3.273     0    0.075   1.372     7.532   46.667   36.061
LGA    S    10_A      S    10_A     3.500     0    0.061   0.665     6.762   53.810   43.333
LGA    A    11_A      A    11_A     2.045     0    0.231   0.278     2.886   69.048   66.667
LGA    P    12_A      P    12_A     1.656     0    0.029   0.279     1.811   75.000   76.599
LGA    S    13_A      S    13_A     1.510     0    0.050   0.602     3.516   77.143   70.794
LGA    H    14_A      H    14_A     0.860     0    0.033   1.064     2.347   88.214   83.476
LGA    S    15_A      S    15_A     1.048     0    0.089   0.656     1.632   85.952   84.524
LGA    T    16_A      T    16_A     1.114     0    0.035   1.149     3.290   85.952   79.592
LGA    S    17_A      S    17_A     0.729     0    0.041   0.721     2.946   90.476   84.921
LGA    L    18_A      L    18_A     0.251     0    0.036   0.995     2.377   97.619   90.000
LGA    L    19_A      L    19_A     0.731     0    0.052   0.886     3.866   90.476   79.167
LGA    Q    20_A      Q    20_A     0.786     0    0.037   1.171     4.757   90.476   75.714
LGA    G    21_A      G    21_A     0.725     0    0.031   0.031     0.782   90.476   90.476
LGA    L    22_A      L    22_A     0.691     0    0.036   0.139     0.904   90.476   90.476
LGA    A    23_A      A    23_A     0.949     0    0.031   0.042     1.128   85.952   86.857
LGA    T    24_A      T    24_A     1.019     0    0.064   1.194     3.613   83.690   74.898
LGA    L    25_A      L    25_A     0.965     0    0.040   0.332     1.266   88.214   88.214
LGA    R    26_A      R    26_A     0.933     0    0.040   1.253     5.640   85.952   75.887
LGA    A    27_A      A    27_A     1.410     0    0.075   0.074     2.063   75.119   76.381
LGA    Q    28_A      Q    28_A     1.509     0    0.169   0.272     2.126   75.000   74.815
LGA    G    29_A      G    29_A     1.844     0    0.055   0.055     1.844   72.857   72.857
LGA    Q    30_A      Q    30_A     1.432     0    0.045   1.008     3.750   81.429   71.852
LGA    L    31_A      L    31_A     1.377     0    0.074   0.897     2.982   81.429   77.321
LGA    L    32_A      L    32_A     1.076     0    0.080   1.061     3.254   85.952   76.607
LGA    D    33_A      D    33_A     1.081     0    0.162   0.307     1.339   88.333   87.143
LGA    V    34_A      V    34_A     0.683     0    0.037   1.166     2.700   90.476   82.313
LGA    V    35_A      V    35_A     0.748     0    0.048   0.059     1.131   90.476   89.184
LGA    L    36_A      L    36_A     0.822     0    0.077   0.211     1.580   90.476   84.881
LGA    T    37_A      T    37_A     0.846     0    0.097   0.141     1.000   90.476   90.476
LGA    I    38_A      I    38_A     1.686     0    0.021   1.178     4.530   75.000   68.750
LGA    N    39_A      N    39_A     2.328     0    0.083   1.106     4.867   64.881   61.964
LGA    R    40_A      R    40_A     1.719     0    0.034   0.945     6.033   77.143   47.100
LGA    E    41_A      E    41_A     1.265     0    0.132   1.008     3.108   83.690   73.651
LGA    A    42_A      A    42_A     0.791     0    0.063   0.061     1.354   83.690   85.048
LGA    F    43_A      F    43_A     1.408     0    0.116   0.309     2.786   83.690   73.203
LGA    P    44_A      P    44_A     1.085     0    0.044   0.145     1.790   81.429   78.980
LGA    A    45_A      A    45_A     0.745     0    0.031   0.045     0.879   90.476   90.476
LGA    H    46_A      H    46_A     0.697     0    0.054   0.074     1.265   92.857   88.714
LGA    K    47_A      K    47_A     0.689     0    0.037   0.154     1.550   90.476   85.503
LGA    V    48_A      V    48_A     0.791     0    0.061   0.099     1.247   90.476   89.184
LGA    V    49_A      V    49_A     0.471     0    0.025   0.079     0.564   97.619   95.918
LGA    L    50_A      L    50_A     0.355     0    0.033   0.054     1.232   97.619   91.786
LGA    A    51_A      A    51_A     0.633     0    0.074   0.070     1.285   90.595   90.571
LGA    A    52_A      A    52_A     1.157     0    0.160   0.165     1.939   81.548   81.524
LGA    C    53_A      C    53_A     1.524     0    0.210   0.750     2.212   81.548   80.238
LGA    S    54_A      S    54_A     1.139     0    0.048   0.068     1.216   83.690   82.937
LGA    D    55_A      D    55_A     1.263     0    0.073   0.921     4.529   85.952   69.405
LGA    Y    56_A      Y    56_A     0.866     0    0.034   0.113     1.598   88.214   83.730
LGA    F    57_A      F    57_A     0.511     0    0.049   0.120     0.852   90.476   91.342
LGA    R    58_A      R    58_A     0.625     0    0.027   0.472     4.138   90.476   75.541
LGA    A    59_A      A    59_A     0.587     0    0.035   0.039     0.650   95.238   94.286
LGA    M    60_A      M    60_A     0.459     0    0.036   0.948     3.042   95.238   88.988
LGA    F    61_A      F    61_A     0.605     0    0.125   0.375     1.413   90.595   86.407
LGA    T    62_A      T    62_A     1.259     0    0.577   0.990     4.251   75.833   72.177
LGA    G    63_A      G    63_A     2.196     0    0.644   0.644     2.574   62.976   62.976
LGA    G    64_A      G    64_A     5.824     0    0.155   0.155     9.304   16.786   16.786
LGA    M    65_A      M    65_A     9.433     0    0.244   1.149    16.548    7.619    3.810
LGA    R    66_A      R    66_A     9.812     0    0.635   1.309    18.715    0.833    0.303
LGA    E    67_A      E    67_A     9.283     0    0.667   1.206    12.924    1.786    0.847
LGA    A    68_A      A    68_A    10.231     0    0.096   0.093    11.883    1.548    1.238
LGA    S    69_A      S    69_A     7.944     0    0.630   0.560     9.522   11.667    8.095
LGA    Q    70_A      Q    70_A     6.542     0    0.062   1.151    12.779   25.952   12.116
LGA    D    71_A      D    71_A     1.061     0    0.697   1.315     6.132   77.262   52.738
LGA    V    72_A      V    72_A     0.777     0    0.089   0.982     2.508   88.214   80.748
LGA    I    73_A      I    73_A     0.395     0    0.086   1.282     3.106   95.238   81.607
LGA    E    74_A      E    74_A     0.738     0    0.057   1.116     2.859   90.476   78.254
LGA    L    75_A      L    75_A     1.002     0    0.265   0.303     1.861   81.548   86.012
LGA    K    76_A      K    76_A     2.170     0    0.133   0.944     4.553   66.786   58.042
LGA    G    77_A      G    77_A     1.782     0    0.109   0.109     1.942   72.857   72.857
LGA    V    78_A      V    78_A     1.834     0    0.041   0.996     3.920   75.000   68.707
LGA    S    79_A      S    79_A     2.160     0    0.120   0.205     3.158   68.810   63.730
LGA    A    80_A      A    80_A     1.740     0    0.045   0.056     2.139   75.000   72.952
LGA    R    81_A      R    81_A     1.505     0    0.556   1.211     8.102   72.976   51.385
LGA    G    82_A      G    82_A     1.523     0    0.108   0.108     2.141   82.024   82.024
LGA    L    83_A      L    83_A     0.646     0    0.066   0.089     0.978   95.238   94.048
LGA    R    84_A      R    84_A     0.670     0    0.052   1.463     4.986   90.476   60.649
LGA    H    85_A      H    85_A     0.803     0    0.042   1.120     2.669   90.476   80.143
LGA    I    86_A      I    86_A     0.758     0    0.038   0.160     0.885   90.476   90.476
LGA    I    87_A      I    87_A     0.512     0    0.037   0.086     1.377   95.238   90.595
LGA    D    88_A      D    88_A     0.453     0    0.044   0.794     3.480  100.000   80.952
LGA    F    89_A      F    89_A     0.213     0    0.037   0.065     0.698  100.000   97.403
LGA    A    90_A      A    90_A     0.317     0    0.039   0.039     0.416  100.000  100.000
LGA    Y    91_A      Y    91_A     0.319     0    0.171   0.193     1.146   95.357   97.659
LGA    S    92_A      S    92_A     0.319     0    0.050   0.079     0.535   97.619   98.413
LGA    A    93_A      A    93_A     0.430     0    0.027   0.026     0.507  100.000   98.095
LGA    E    94_A      E    94_A     0.385     0    0.045   0.559     1.935   97.619   87.831
LGA    V    95_A      V    95_A     0.438     0    0.014   1.158     2.571   95.238   85.034
LGA    T    96_A      T    96_A     0.859     0    0.105   0.956     3.276   88.214   79.728
LGA    L    97_A      L    97_A     1.231     0    0.053   0.175     1.455   81.429   84.821
LGA    D    98_A      D    98_A     2.192     0    0.082   1.003     3.353   75.119   69.226
LGA    L    99_A      L    99_A     1.589     0    0.096   0.940     2.057   72.976   74.107
LGA    D   100_A      D   100_A     1.427     0    0.023   0.869     2.709   77.381   75.298
LGA    C   101_A      C   101_A     0.919     0    0.042   0.043     0.967   90.476   90.476
LGA    V   102_A      V   102_A     0.761     0    0.032   1.205     2.664   90.476   82.041
LGA    Q   103_A      Q   103_A     1.263     0    0.034   0.833     2.958   81.429   77.778
LGA    D   104_A      D   104_A     1.195     0    0.035   0.381     2.765   85.952   79.583
LGA    V   105_A      V   105_A     0.474     0    0.033   0.068     0.720   97.619   95.918
LGA    L   106_A      L   106_A     0.382     0    0.038   0.120     0.600  100.000   96.429
LGA    G   107_A      G   107_A     0.309     0    0.024   0.024     0.401  100.000  100.000
LGA    A   108_A      A   108_A     0.289     0    0.059   0.058     0.425  100.000  100.000
LGA    A   109_A      A   109_A     0.205     0    0.034   0.041     0.374  100.000  100.000
LGA    V   110_A      V   110_A     0.302     0    0.036   0.129     0.570  100.000   98.639
LGA    F   111_A      F   111_A     0.371     0    0.047   0.526     1.837  100.000   85.887
LGA    L   112_A      L   112_A     0.445     0    0.141   0.185     2.005   95.238   86.250
LGA    Q   113_A      Q   113_A     0.754     0    0.045   0.291     1.114   90.595   90.529
LGA    M   114_A      M   114_A     1.270     0    0.091   0.913     2.030   81.429   77.202
LGA    L   115_A      L   115_A     1.443     0    0.024   1.471     4.561   81.429   63.810
LGA    P   116_A      P   116_A     1.538     0    0.050   0.148     2.092   75.000   72.925
LGA    V   117_A      V   117_A     1.150     0    0.017   1.040     2.776   83.690   75.782
LGA    V   118_A      V   118_A     0.826     0    0.034   0.072     1.112   85.952   86.599
LGA    E   119_A      E   119_A     1.686     0    0.043   0.999     3.725   75.000   64.392
LGA    L   120_A      L   120_A     1.742     0    0.035   1.434     4.227   72.857   67.381
LGA    C   121_A      C   121_A     0.896     0    0.046   0.083     1.204   88.214   88.968
LGA    E   122_A      E   122_A     1.082     0    0.050   0.905     3.936   83.690   73.862
LGA    E   123_A      E   123_A     1.696     0    0.041   0.692     5.481   75.000   57.725
LGA    F   124_A      F   124_A     1.460     0    0.043   0.076     1.571   79.286   79.870
LGA    L   125_A      L   125_A     1.024     0    0.036   1.129     2.612   85.952   78.571
LGA    K   126_A      K   126_A     1.198     0    0.038   1.577     7.674   81.429   57.354
LGA    A   127_A      A   127_A     1.402     0    0.061   0.061     1.731   79.286   79.714
LGA    A   128_A      A   128_A     1.498     0    0.085   0.083     2.006   75.119   76.381
LGA    M   129_A      M   129_A     1.747     0    0.631   1.353     7.034   61.905   49.405

# 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):     2.991          2.892                  3.622           78.316   73.246

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    115    1.34    82.400    76.633     8.004

LGA_LOCAL      RMSD:   1.337  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.075  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   2.991  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.689156 * X  +  -0.643277 * Y  +   0.333553 * Z  +  -6.746037
  Y_new =  -0.718730 * X  +  -0.548301 * Y  +   0.427543 * Z  +   6.078996
  Z_new =  -0.092141 * X  +  -0.534379 * Y  +  -0.840208 * Z  + -36.832890 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.806401  0.092272 -2.575117   [DEG:  -46.2034    5.2868 -147.5433 ]
ZXZ:  2.479065  2.568463 -2.970845   [DEG:  142.0400  147.1621 -170.2169 ]
 
# END of job
