
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.96     1.96
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.96     1.96
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      31_B - 101_B       0.95     2.04
  LONGEST_CONTINUOUS_SEGMENT:    71      32_B - 102_B       0.90     2.07
  LCS_AVERAGE:     38.95

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     Q     1_B     Q     1_B     28  128  128     35   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     46   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     43   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     48   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     43   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     28   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     39   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     31   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     56   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     33   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     46   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     49   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     35   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     28   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128      4   31   95  111  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128      5   58   91  109  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      4    9   53  100  112  116  119  121  122  122  125  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      4  128  128      3    3    5    6    8   15   39   81  122  122  123  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     69  128  128      3    8   23   73  112  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     71  128  128      3    3    4   47   63  114  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     71  128  128     11   82  106  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     71  128  128     48   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     71  128  128     41   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     71  128  128     19   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     71  128  128      7   77  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     71  128  128     15   88  108  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     71  128  128      7   88  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     71  128  128     14   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     71  128  128     56   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     71  128  128     52   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     71  128  128      3    4   90  109  114  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     71  128  128     29   93  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     71  128  128     45   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     71  128  128     33   94  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     71  128  128     20   85  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     71  128  128     48   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     71  128  128     52   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     71  128  128     42   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     71  128  128     17   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     71  128  128     49   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     71  128  128     39   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     71  128  128     50   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     71  128  128     50   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     71  128  128     50   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     71  128  128     50   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     71  128  128     41   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     71  128  128     49   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     71  128  128     49   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     71  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     71  128  128     26   93  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     71  128  128      3   44   78  111  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     71  128  128     33   95  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     71  128  128      4   10   25   90  111  115  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      4  128  128      3    5   10   21   32   60  101  118  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      4  128  128      3    4    4   15   34   57   77  116  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  128  128      3    4    9   17   34   64  105  118  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      7  128  128      3    5   12   24   39   64   93  116  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      7  128  128      3    5   10   21   39   57  101  118  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      7  128  128      3    5   10   17   34   57  101  118  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     19  128  128      3    7   39   86  111  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     19  128  128     29   95  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     19  128  128     26   93  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     19  128  128     41   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     19  128  128     24   85  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     19  128  128     50   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     19  128  128     50   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     19  128  128     49   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     19  128  128      5   77  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     19  128  128     59   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     19  128  128     50   96  109  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     19  128  128      3   45   78  112  115  116  119  121  122  124  126  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.65  (  38.95  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     59     96    109    112    115    116    119    121    122    124    126    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  46.09  75.00  85.16  87.50  89.84  90.62  92.97  94.53  95.31  96.88  98.44 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.55   0.70   0.76   0.87   0.91   1.08   1.19   1.77   1.64   1.87   1.96   1.96   1.96   1.96   1.96   1.96   1.96   1.96   1.96
GDT RMS_ALL_AT   2.12   2.08   2.05   2.06   2.08   2.07   2.07   2.04   1.98   1.97   1.96   1.96   1.96   1.96   1.96   1.96   1.96   1.96   1.96   1.96

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.116     0    0.496   0.878     9.184   78.095   44.497
LGA    V     2_B      V     2_B     0.715     0    0.044   0.106     1.182   88.214   89.184
LGA    Q     3_B      Q     3_B     0.654     0    0.011   0.843     2.300   90.476   85.661
LGA    L     4_B      L     4_B     0.585     0    0.025   0.060     0.630   90.476   95.238
LGA    V     5_B      V     5_B     0.651     0    0.113   0.155     0.966   90.476   90.476
LGA    E     6_B      E     6_B     0.656     0    0.046   0.901     3.051   95.238   88.148
LGA    S     7_B      S     7_B     0.331     0    0.078   0.641     2.461   97.619   92.540
LGA    G     8_B      G     8_B     0.293     0    0.056   0.056     0.633   97.619   97.619
LGA    G     9_B      G     9_B     0.663     0    0.125   0.125     0.663   92.857   92.857
LGA    G    10_B      G    10_B     0.917     0    0.032   0.032     1.094   92.976   92.976
LGA    S    11_B      S    11_B     0.235     0    0.139   0.160     1.264   92.976   93.730
LGA    V    12_B      V    12_B     0.440     0    0.073   0.156     0.601   95.238   97.279
LGA    Q    13_B      Q    13_B     0.772     0    0.022   0.847     1.889   92.857   86.614
LGA    A    14_B      A    14_B     0.581     0    0.054   0.072     0.833   95.238   94.286
LGA    G    15_B      G    15_B     0.459     0    0.088   0.088     0.954   95.238   95.238
LGA    G    16_B      G    16_B     0.813     0    0.037   0.037     0.813   92.857   92.857
LGA    S    17_B      S    17_B     0.644     0    0.046   0.115     0.820   90.476   90.476
LGA    L    18_B      L    18_B     0.559     0    0.071   1.129     3.676   90.476   83.452
LGA    R    19_B      R    19_B     0.590     0    0.063   1.183     3.459   92.857   81.299
LGA    L    20_B      L    20_B     0.442     0    0.014   0.203     0.941   95.238   94.048
LGA    S    21_B      S    21_B     0.642     0    0.030   0.712     2.654   90.476   84.921
LGA    C    22_B      C    22_B     0.723     0    0.042   0.060     1.090   88.214   87.460
LGA    A    23_B      A    23_B     1.043     0    0.126   0.156     1.173   85.952   85.048
LGA    A    24_B      A    24_B     0.565     0    0.047   0.057     0.730   90.476   90.476
LGA    S    25_B      S    25_B     1.140     0    0.051   0.570     3.209   79.405   74.841
LGA    G    26_B      G    26_B     2.598     0    0.379   0.379     4.079   56.071   56.071
LGA    Y    27_B      Y    27_B     2.900     0    0.542   0.775    10.754   44.762   30.159
LGA    T    28_B      T    28_B     3.758     0    0.214   1.247     8.209   42.262   31.633
LGA    Y    29_B      Y    29_B     5.725     0    0.614   1.280    12.821   29.048   10.635
LGA    S    30_B      S    30_B     3.732     0    0.636   0.802     5.422   37.500   43.016
LGA    M    31_B      M    31_B     3.821     0    0.604   1.020    11.712   57.619   32.083
LGA    Y    32_B      Y    32_B     1.942     0    0.556   1.309    11.895   68.929   30.317
LGA    C    33_B      C    33_B     0.606     0    0.052   0.708     1.918   92.857   87.619
LGA    M    34_B      M    34_B     0.231     0    0.029   1.046     4.291  100.000   85.357
LGA    G    35_B      G    35_B     0.200     0    0.036   0.036     0.582   97.619   97.619
LGA    W    36_B      W    36_B     0.646     0    0.043   0.136     0.812   90.476   90.476
LGA    F    37_B      F    37_B     0.496     0    0.039   0.237     0.597   92.857   97.403
LGA    R    38_B      R    38_B     0.753     0    0.051   0.509     1.149   90.476   89.697
LGA    Q    39_B      Q    39_B     0.373     0    0.119   0.207     0.913   95.238   95.767
LGA    A    40_B      A    40_B     1.077     0    0.053   0.065     1.095   85.952   85.048
LGA    P    41_B      P    41_B     1.396     0    0.010   0.074     1.880   83.690   79.048
LGA    G    42_B      G    42_B     1.567     0    0.252   0.252     1.567   79.286   79.286
LGA    K    43_B      K    43_B     1.342     0    0.068   0.623     1.717   81.429   79.524
LGA    E    44_B      E    44_B     0.952     0    0.033   0.735     4.435   88.214   70.847
LGA    R    45_B      R    45_B     0.116     0    0.026   0.627     1.578   97.619   90.693
LGA    E    46_B      E    46_B     0.620     0    0.090   0.584     1.912   92.857   85.608
LGA    G    47_B      G    47_B     0.780     0    0.079   0.079     1.090   88.214   88.214
LGA    V    48_B      V    48_B     0.236     0    0.024   0.050     0.444  100.000  100.000
LGA    A    49_B      A    49_B     0.519     0    0.017   0.018     0.690   97.619   96.190
LGA    G    50_B      G    50_B     0.286     0    0.016   0.016     0.413  100.000  100.000
LGA    I    51_B      I    51_B     0.303     0    0.020   0.059     0.715  100.000   96.429
LGA    C    52_B      C    52_B     0.359     0    0.054   0.719     4.518   82.500   73.810
LGA    A    53_B      A    53_B     3.004     0    0.364   0.396     4.571   63.095   56.762
LGA    N    54_B      N    54_B     1.357     0    0.186   0.553     2.332   79.286   78.333
LGA    G    55_B      G    55_B     0.777     0    0.064   0.064     1.064   88.214   88.214
LGA    K    56_B      K    56_B     1.275     0    0.034   0.512     4.188   79.286   65.926
LGA    A    57_B      A    57_B     1.579     0    0.206   0.247     1.860   77.143   76.286
LGA    I    58_B      I    58_B     0.525     0    0.035   0.076     0.957   90.476   91.667
LGA    H    59_B      H    59_B     0.471     0    0.037   0.971     2.052  100.000   88.333
LGA    Y    60_B      Y    60_B     0.379     0    0.010   0.149     0.619   95.238   97.619
LGA    V    61_B      V    61_B     0.805     0    0.061   1.194     3.499   90.476   80.884
LGA    D    62_B      D    62_B     1.016     0    0.635   0.567     3.806   72.024   80.119
LGA    S    63_B      S    63_B     0.713     0    0.010   0.193     0.937   92.857   92.063
LGA    V    64_B      V    64_B     0.624     0    0.094   0.135     1.036   92.857   90.544
LGA    K    65_B      K    65_B     0.608     0    0.010   0.182     1.207   90.476   89.471
LGA    G    66_B      G    66_B     0.921     0    0.018   0.018     1.079   88.214   88.214
LGA    R    67_B      R    67_B     0.690     0    0.015   0.181     0.727   90.476   94.805
LGA    F    68_B      F    68_B     0.490     0    0.031   0.098     1.133   97.619   92.294
LGA    T    69_B      T    69_B     0.178     0    0.043   0.108     0.346  100.000  100.000
LGA    I    70_B      I    70_B     0.165     0    0.018   0.108     0.458  100.000  100.000
LGA    S    71_B      S    71_B     0.276     0    0.068   0.105     0.387  100.000  100.000
LGA    Q    72_B      Q    72_B     0.653     0    0.087   0.365     1.488   88.214   88.466
LGA    D    73_B      D    73_B     0.533     0    0.125   0.220     1.255   90.476   87.083
LGA    N    74_B      N    74_B     0.953     0    0.024   1.080     3.632   88.214   78.988
LGA    A    75_B      A    75_B     0.827     0    0.082   0.087     0.952   90.476   90.476
LGA    K    76_B      K    76_B     0.824     0    0.188   0.822     1.698   88.214   84.550
LGA    N    77_B      N    77_B     0.865     0    0.028   0.250     2.480   90.476   81.726
LGA    T    78_B      T    78_B     0.356     0    0.106   0.112     0.684  100.000   95.918
LGA    V    79_B      V    79_B     0.279     0    0.008   0.042     0.344  100.000  100.000
LGA    Y    80_B      Y    80_B     0.359     0    0.044   0.139     1.443  100.000   91.429
LGA    L    81_B      L    81_B     0.534     0    0.070   0.107     0.581   90.476   92.857
LGA    Q    82_B      Q    82_B     0.719     0    0.021   0.231     1.058   92.857   90.529
LGA    M    83_B      M    83_B     0.739     0    0.109   0.167     1.447   90.476   87.083
LGA    N    84_B      N    84_B     0.579     0    0.034   0.160     0.957   92.857   91.667
LGA    S    85_B      S    85_B     0.264     0    0.027   0.040     0.383  100.000  100.000
LGA    L    86_B      L    86_B     0.312     0    0.073   0.126     0.476  100.000  100.000
LGA    K    87_B      K    87_B     0.382     0    0.012   0.163     1.817  100.000   91.799
LGA    P    88_B      P    88_B     0.625     0    0.021   0.028     0.748   92.857   91.837
LGA    E    89_B      E    89_B     0.711     0    0.037   0.922     2.620   90.476   81.905
LGA    D    90_B      D    90_B     0.480     0    0.033   0.129     0.538   97.619   97.619
LGA    T    91_B      T    91_B     0.409     0    0.018   0.073     0.526   97.619   97.279
LGA    A    92_B      A    92_B     0.382     0    0.014   0.027     0.501  100.000   98.095
LGA    M    93_B      M    93_B     0.514     0    0.081   0.339     1.451   92.857   89.405
LGA    Y    94_B      Y    94_B     0.499     0    0.068   0.128     0.762   95.238   97.619
LGA    Y    95_B      Y    95_B     0.313     0    0.026   0.070     0.489  100.000  100.000
LGA    C    96_B      C    96_B     0.301     0    0.021   0.081     0.736  100.000   98.413
LGA    A    97_B      A    97_B     0.323     0    0.028   0.032     0.607  100.000   98.095
LGA    A    98_B      A    98_B     0.535     0    0.093   0.115     0.725   92.857   92.381
LGA    D    99_B      D    99_B     1.270     0    0.178   0.875     2.444   81.429   76.190
LGA    S   100_B      S   100_B     2.630     0    0.042   0.066     3.606   62.976   57.540
LGA    R   101_B      R   101_B     1.308     0    0.658   0.862     7.792   67.738   55.844
LGA    G   102_B      G   102_B     4.082     0    0.073   0.073     4.668   38.929   38.929
LGA    G   103_B      G   103_B     6.520     0    0.605   0.605     6.520   19.405   19.405
LGA    I   104_B      I   104_B     7.812     0    0.616   0.789    10.481    8.095    4.286
LGA    W   105_B      W   105_B     7.325     0    0.136   0.950     9.025    8.571    9.252
LGA    Y   106_B      Y   106_B     8.365     0    0.596   1.404     9.124    4.524    5.556
LGA    E   107_B      E   107_B     7.433     0    0.019   0.078     8.818   10.119    6.772
LGA    Q   108_B      Q   108_B     6.895     0    0.288   1.031    11.889   15.476    8.360
LGA    Q   109_B      Q   109_B     3.657     0    0.084   1.396     6.382   52.500   44.550
LGA    L   110_B      L   110_B     1.148     0    0.262   0.226     1.985   79.286   79.286
LGA    S   111_B      S   111_B     1.247     0    0.119   0.479     1.480   85.952   85.952
LGA    T   112_B      T   112_B     0.743     0    0.019   0.100     1.470   90.476   86.599
LGA    L   113_B      L   113_B     0.713     0    0.080   0.190     1.779   88.214   84.881
LGA    R   114_B      R   114_B     1.417     0    0.096   1.314     6.760   81.548   57.359
LGA    Y   115_B      Y   115_B     0.868     0    0.031   0.190     1.029   90.476   89.722
LGA    N   116_B      N   116_B     0.699     0    0.062   0.212     0.827   90.476   90.476
LGA    Y   117_B      Y   117_B     0.465     0    0.048   0.311     3.140  100.000   80.873
LGA    W   118_B      W   118_B     0.281     0    0.036   0.108     0.755  100.000   95.238
LGA    G   119_B      G   119_B     0.429     0    0.027   0.027     0.726   95.238   95.238
LGA    Q   120_B      Q   120_B     1.461     0    0.129   1.259     7.541   85.952   55.238
LGA    G   121_B      G   121_B     0.143     0    0.069   0.069     0.366  100.000  100.000
LGA    T   122_B      T   122_B     0.391     0    0.077   1.057     3.111   97.619   87.483
LGA    Q   123_B      Q   123_B     0.232     0    0.048   0.847     2.921   97.619   86.402
LGA    V   124_B      V   124_B     0.322     0    0.062   0.103     0.636   97.619   97.279
LGA    T   125_B      T   125_B     0.249     0    0.021   0.394     1.331   97.619   94.626
LGA    V   126_B      V   126_B     0.312     0    0.052   0.054     0.562   97.619   98.639
LGA    S   127_B      S   127_B     0.614     0    0.071   0.665     2.108   85.952   84.762
LGA    S   128_B      S   128_B     2.356     0    0.587   0.528     4.009   72.976   62.063

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.962          1.962                  2.792           84.449   80.385

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    121    1.19    89.258    93.685     9.386

LGA_LOCAL      RMSD:   1.189  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.042  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.962  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.031322 * X  +   0.428751 * Y  +   0.902880 * Z  +  29.217892
  Y_new =   0.953301 * X  +  -0.258670 * Y  +   0.155906 * Z  +  -0.060587
  Z_new =   0.300392 * X  +   0.865600 * Y  +  -0.400627 * Z  +   7.243759 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.603641 -0.305104  2.004269   [DEG:   91.8819  -17.4812  114.8362 ]
ZXZ:  1.741787  1.982997  0.334030   [DEG:   99.7970  113.6173   19.1385 ]
 
# END of job
