
#######################################################
#                                                     #
#                        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       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      10_A - 128_A       0.99     1.27
  LONGEST_CONTINUOUS_SEGMENT:   119      11_A - 129_A       1.00     1.28
  LCS_AVERAGE:     94.37

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     15  125  125      4   43   67  102  116  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    109  125  125     10   56   99  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    109  125  125     15   28   80  105  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    115  125  125      8   25   93  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    117  125  125     20   44   99  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    119  125  125      8   84  108  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    119  125  125     33   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    119  125  125     20   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    119  125  125     42   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    119  125  125     50   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    119  125  125      3    3   86  116  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    119  125  125     39   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    119  125  125     50   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    119  125  125     50   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    119  125  125     23   75  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    119  125  125     25   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    119  125  125     50   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    119  125  125     39   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    119  125  125     53   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    119  125  125     30   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    119  125  125     30   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    119  125  125     30   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    119  125  125     30   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    119  125  125      3   43   88  114  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    119  125  125      4   21   82  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    119  125  125      5   43   95  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    119  125  125     15   80  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    119  125  125     21   72  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    119  125  125     21   80  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    119  125  125     35   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    119  125  125     38   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    119  125  125     17   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    119  125  125      5   84  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    119  125  125      9   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    119  125  125     52   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    119  125  125     52   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    119  125  125     54   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    119  125  125     39   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    119  125  125     31   73  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    119  125  125     33   72  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    119  125  125     33   89  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    119  125  125     38   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    119  125  125     39   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    119  125  125     33   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    119  125  125     39   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    119  125  125     48   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    119  125  125     49   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    119  125  125     39   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    119  125  125     41   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    119  125  125     41   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    119  125  125     53   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    119  125  125     49   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    119  125  125     39   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    119  125  125     33   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    119  125  125     52   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    119  125  125     33   91  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    119  125  125     33   44  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    119  125  125     33   44  103  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    119  125  125     33   47  106  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    119  125  125     33   75  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    119  125  125     33   84  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    119  125  125     33   65  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    119  125  125     33   72  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    119  125  125     33   81  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    119  125  125     33   72  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    119  125  125     33   47  103  117  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    119  125  125     33   72  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    119  125  125     33   72  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    119  125  125     33   65  103  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    119  125  125     33   65  103  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    119  125  125     33   72  109  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    119  125  125     33   65  106  120  123  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  98.12  (  94.37  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     54     91    109    120    123    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  43.20  72.80  87.20  96.00  98.40 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.58   0.83   1.04   1.09   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19
GDT RMS_ALL_AT   1.56   1.37   1.29   1.21   1.21   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19

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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     3.969     0    0.147   1.421     8.054   45.119   35.774
LGA    K     6_A      K     6_A     2.005     0    0.044   0.247     4.449   55.595   58.836
LGA    C     7_A      C     7_A     3.430     0    0.010   0.112     5.727   61.190   49.603
LGA    T     8_A      T     8_A     2.172     0    0.040   0.060     2.911   60.952   62.585
LGA    F     9_A      F     9_A     2.007     0    0.078   1.263     9.143   77.381   43.117
LGA    S    10_A      S    10_A     0.947     0    0.100   0.614     1.959   88.214   86.032
LGA    A    11_A      A    11_A     0.267     0    0.101   0.106     0.386  100.000  100.000
LGA    P    12_A      P    12_A     0.500     0    0.037   0.282     1.245   92.857   90.544
LGA    S    13_A      S    13_A     0.776     0    0.018   0.098     0.931   90.476   90.476
LGA    H    14_A      H    14_A     0.417     0    0.014   0.083     0.603   97.619   98.095
LGA    S    15_A      S    15_A     0.397     0    0.062   0.152     0.464  100.000  100.000
LGA    T    16_A      T    16_A     0.547     0    0.039   0.097     0.777   92.857   91.837
LGA    S    17_A      S    17_A     0.726     0    0.018   0.021     0.933   90.476   90.476
LGA    L    18_A      L    18_A     0.762     0    0.023   0.269     1.137   90.476   89.345
LGA    L    19_A      L    19_A     0.682     0    0.015   0.050     0.941   90.476   90.476
LGA    Q    20_A      Q    20_A     0.888     0    0.016   0.713     3.315   88.214   78.201
LGA    G    21_A      G    21_A     1.075     0    0.038   0.038     1.075   83.690   83.690
LGA    L    22_A      L    22_A     0.928     0    0.016   0.088     1.034   88.214   88.214
LGA    A    23_A      A    23_A     0.907     0    0.017   0.030     1.038   88.214   88.667
LGA    T    24_A      T    24_A     1.319     0    0.096   1.124     3.508   81.429   76.054
LGA    L    25_A      L    25_A     1.356     0    0.033   0.112     1.680   81.429   78.214
LGA    R    26_A      R    26_A     0.948     0    0.027   0.230     1.332   83.690   88.052
LGA    A    27_A      A    27_A     1.157     0    0.013   0.032     1.300   81.429   81.429
LGA    Q    28_A      Q    28_A     1.477     0    0.025   0.980     3.340   77.143   74.127
LGA    G    29_A      G    29_A     1.523     0    0.019   0.019     1.657   75.000   75.000
LGA    Q    30_A      Q    30_A     1.453     0    0.020   0.834     3.419   81.429   72.434
LGA    L    31_A      L    31_A     1.328     0    0.022   0.105     1.840   81.429   78.214
LGA    L    32_A      L    32_A     0.781     0    0.049   0.212     1.007   88.214   89.345
LGA    D    33_A      D    33_A     0.913     0    0.029   0.046     0.975   90.476   90.476
LGA    V    34_A      V    34_A     0.452     0    0.045   0.081     0.638   95.238   94.558
LGA    V    35_A      V    35_A     0.371     0    0.052   0.065     0.675  100.000   97.279
LGA    L    36_A      L    36_A     0.396     0    0.036   0.089     0.516  100.000   96.429
LGA    T    37_A      T    37_A     0.463     0    0.030   0.083     0.558   95.238   95.918
LGA    I    38_A      I    38_A     0.757     0    0.017   0.042     0.883   90.476   90.476
LGA    N    39_A      N    39_A     0.967     0    0.583   0.581     2.463   84.048   81.667
LGA    R    40_A      R    40_A     2.369     0    0.018   1.319     6.950   68.810   49.567
LGA    E    41_A      E    41_A     1.041     0    0.058   0.673     1.559   85.952   82.487
LGA    A    42_A      A    42_A     0.406     0    0.026   0.043     0.847   92.857   94.286
LGA    F    43_A      F    43_A     0.691     0    0.047   0.056     1.142   90.476   88.009
LGA    P    44_A      P    44_A     0.687     0    0.042   0.321     1.797   90.476   87.959
LGA    A    45_A      A    45_A     0.277     0    0.035   0.035     0.400  100.000  100.000
LGA    H    46_A      H    46_A     0.505     0    0.025   0.183     0.927   95.238   92.381
LGA    K    47_A      K    47_A     0.576     0    0.037   0.145     0.588   90.476   92.593
LGA    V    48_A      V    48_A     0.630     0    0.057   0.093     0.940   90.476   90.476
LGA    V    49_A      V    49_A     0.632     0    0.028   0.051     0.748   90.476   90.476
LGA    L    50_A      L    50_A     0.552     0    0.031   0.094     1.155   92.857   90.595
LGA    A    51_A      A    51_A     0.774     0    0.015   0.014     0.929   90.476   90.476
LGA    A    52_A      A    52_A     1.059     0    0.101   0.120     1.535   81.548   81.524
LGA    C    53_A      C    53_A     1.468     0    0.123   0.748     1.903   81.429   80.000
LGA    S    54_A      S    54_A     1.152     0    0.043   0.061     1.170   83.690   82.937
LGA    D    55_A      D    55_A     1.288     0    0.067   0.138     2.328   85.952   76.369
LGA    Y    56_A      Y    56_A     0.815     0    0.018   0.041     1.034   92.857   90.516
LGA    F    57_A      F    57_A     0.463     0    0.024   0.076     0.910   95.238   92.208
LGA    R    58_A      R    58_A     0.757     0    0.023   1.039     7.721   90.476   63.160
LGA    A    59_A      A    59_A     0.886     0    0.047   0.059     0.907   90.476   90.476
LGA    M    60_A      M    60_A     0.719     0    0.040   0.085     1.084   88.214   89.345
LGA    F    61_A      F    61_A     0.963     0    0.026   0.064     1.341   85.952   88.831
LGA    T    62_A      T    62_A     1.453     0    0.054   0.082     1.544   79.286   77.755
LGA    G    63_A      G    63_A     1.333     0    0.682   0.682     3.302   73.571   73.571
LGA    G    64_A      G    64_A     2.168     0    0.020   0.020     2.920   64.881   64.881
LGA    M    65_A      M    65_A     2.119     0    0.090   0.639     3.975   70.833   63.214
LGA    R    66_A      R    66_A     1.797     0    0.038   0.812     1.902   72.857   76.753
LGA    E    67_A      E    67_A     1.031     0    0.071   0.156     2.038   83.690   78.783
LGA    A    68_A      A    68_A     1.088     0    0.071   0.082     1.088   83.690   83.238
LGA    S    69_A      S    69_A     0.983     0    0.028   0.037     1.126   88.214   85.952
LGA    Q    70_A      Q    70_A     0.721     0    0.008   0.308     1.270   90.476   89.471
LGA    D    71_A      D    71_A     0.578     0    0.031   0.106     0.996   95.238   92.857
LGA    V    72_A      V    72_A     0.351     0    0.014   0.038     0.543   97.619   98.639
LGA    I    73_A      I    73_A     0.322     0    0.031   0.045     0.356  100.000  100.000
LGA    E    74_A      E    74_A     0.455     0    0.052   0.184     0.889   97.619   94.709
LGA    L    75_A      L    75_A     0.607     0    0.191   0.255     1.278   88.214   94.107
LGA    K    76_A      K    76_A     1.259     0    0.057   0.609     2.103   81.429   79.735
LGA    G    77_A      G    77_A     1.265     0    0.073   0.073     1.474   81.429   81.429
LGA    V    78_A      V    78_A     1.319     0    0.018   1.052     3.897   85.952   78.639
LGA    S    79_A      S    79_A     1.253     0    0.085   0.476     1.911   83.690   83.016
LGA    A    80_A      A    80_A     1.027     0    0.066   0.065     1.134   83.690   83.238
LGA    R    81_A      R    81_A     0.738     0    0.050   1.061     4.935   90.476   79.091
LGA    G    82_A      G    82_A     0.504     0    0.037   0.037     0.652   95.238   95.238
LGA    L    83_A      L    83_A     0.348     0    0.020   0.063     0.380  100.000  100.000
LGA    R    84_A      R    84_A     0.434     0    0.023   1.260     4.815  100.000   72.771
LGA    H    85_A      H    85_A     0.444     0    0.029   0.185     0.920  100.000   95.238
LGA    I    86_A      I    86_A     0.457     0    0.024   0.144     0.718  100.000   97.619
LGA    I    87_A      I    87_A     0.487     0    0.035   0.087     0.802  100.000   95.238
LGA    D    88_A      D    88_A     0.440     0    0.092   0.212     0.594  100.000   98.810
LGA    F    89_A      F    89_A     0.390     0    0.022   0.145     0.579   97.619   98.268
LGA    A    90_A      A    90_A     0.304     0    0.088   0.088     0.726   97.619   98.095
LGA    Y    91_A      Y    91_A     0.336     0    0.068   0.095     0.405  100.000  100.000
LGA    S    92_A      S    92_A     0.570     0    0.030   0.067     0.660   90.476   93.651
LGA    A    93_A      A    93_A     0.622     0    0.034   0.047     0.714   90.476   90.476
LGA    E    94_A      E    94_A     0.465     0    0.059   0.108     0.868   97.619   95.767
LGA    V    95_A      V    95_A     0.569     0    0.077   0.171     1.231   88.214   87.891
LGA    T    96_A      T    96_A     1.180     0    0.029   0.082     1.824   83.690   81.497
LGA    L    97_A      L    97_A     1.139     0    0.056   0.105     1.285   81.429   82.560
LGA    D    98_A      D    98_A     0.836     0    0.019   0.039     1.116   90.476   88.214
LGA    L    99_A      L    99_A     0.539     0    0.045   0.075     0.854   90.476   90.476
LGA    D   100_A      D   100_A     0.991     0    0.021   0.088     1.528   85.952   82.619
LGA    C   101_A      C   101_A     1.156     0    0.062   0.080     1.411   85.952   84.444
LGA    V   102_A      V   102_A     0.621     0    0.024   0.031     0.832   90.476   93.197
LGA    Q   103_A      Q   103_A     0.571     0    0.010   0.313     0.988   90.476   90.476
LGA    D   104_A      D   104_A     0.925     0    0.012   0.392     1.704   90.476   84.881
LGA    V   105_A      V   105_A     0.638     0    0.020   0.046     1.090   95.238   91.905
LGA    L   106_A      L   106_A     0.273     0    0.025   0.081     0.957  100.000   95.238
LGA    G   107_A      G   107_A     0.879     0    0.035   0.035     0.879   90.476   90.476
LGA    A   108_A      A   108_A     0.750     0    0.054   0.061     0.930   95.238   94.286
LGA    A   109_A      A   109_A     0.175     0    0.027   0.033     0.359  100.000  100.000
LGA    V   110_A      V   110_A     0.743     0    0.027   0.043     1.245   92.857   90.544
LGA    F   111_A      F   111_A     0.930     0    0.009   0.469     2.059   90.476   80.866
LGA    L   112_A      L   112_A     0.247     0    0.019   0.041     1.222   97.619   92.917
LGA    Q   113_A      Q   113_A     0.991     0    0.038   0.601     1.582   85.952   84.497
LGA    M   114_A      M   114_A     1.624     0    0.065   1.142     2.380   77.143   71.964
LGA    L   115_A      L   115_A     2.032     0    0.048   0.157     2.840   68.810   63.929
LGA    P   116_A      P   116_A     1.904     0    0.023   0.028     2.366   70.833   68.231
LGA    V   117_A      V   117_A     1.175     0    0.022   0.099     1.432   83.690   84.014
LGA    V   118_A      V   118_A     1.101     0    0.032   0.060     1.364   81.429   81.429
LGA    E   119_A      E   119_A     1.848     0    0.044   0.420     3.183   72.857   66.720
LGA    L   120_A      L   120_A     1.612     0    0.034   1.402     4.133   75.000   65.536
LGA    C   121_A      C   121_A     1.058     0    0.008   0.069     1.262   81.429   84.444
LGA    E   122_A      E   122_A     1.691     0    0.039   0.265     2.880   72.976   70.265
LGA    E   123_A      E   123_A     2.226     0    0.013   1.060     7.517   66.786   44.815
LGA    F   124_A      F   124_A     1.465     0    0.027   0.150     1.680   79.286   85.584
LGA    L   125_A      L   125_A     1.386     0    0.031   0.051     1.640   77.143   80.417
LGA    K   126_A      K   126_A     2.162     0    0.040   1.368     7.344   66.786   48.836
LGA    A   127_A      A   127_A     2.057     0    0.044   0.042     2.086   68.810   68.000
LGA    A   128_A      A   128_A     1.543     0    0.096   0.092     1.886   72.857   74.571
LGA    M   129_A      M   129_A     1.908     0    0.100   1.123     5.950   66.905   60.595

# 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):     1.190          1.179                  1.644           86.346   83.655

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.19    92.200    96.512     9.690

LGA_LOCAL      RMSD:   1.190  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.190  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.190  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.857189 * X  +   0.173209 * Y  +  -0.485001 * Z  +  -2.702475
  Y_new =  -0.370226 * X  +  -0.861889 * Y  +   0.346527 * Z  +   2.369138
  Z_new =  -0.357995 * X  +   0.476599 * Y  +   0.802928 * Z  + -19.599062 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.733886  0.366120  0.535683   [DEG: -156.6402   20.9771   30.6924 ]
ZXZ: -2.191179  0.638606 -0.644234   [DEG: -125.5453   36.5894  -36.9119 ]
 
# END of job
