
#######################################################
#                                                     #
#                        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  147 ( 1260),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90      40_C - 133_C       1.00     1.26
  LONGEST_CONTINUOUS_SEGMENT:    90      41_C - 134_C       1.00     1.26
  LCS_AVERAGE:     63.95

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     P     2_B     P     2_C     54  127  127      4   16   79  111  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     54  127  127      4   35  104  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     54  127  127     15   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     54  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     54  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     54  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     54  127  127     12   71  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     54  127  127     12   45  106  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     54  127  127     17   80  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     54  127  127     26   80  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     54  127  127     26   80  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     54  127  127     26   80  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     54  127  127     26   59  105  118  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     54  127  127     17   45  105  118  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     54  127  127      3   45  105  118  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     54  127  127      3    5   86  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     54  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     77  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     77  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     80  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     90  127  127     14   72  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     90  127  127      3   77  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     90  127  127     14   77  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     90  127  127     12   75  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     90  127  127     14   78  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     90  127  127     15   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     90  127  127      5   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     90  127  127      3   55  105  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     90  127  127      4   77  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     90  127  127      5   40  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     90  127  127     11   69  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     90  127  127     11   75  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     90  127  127     25   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     90  127  127     25   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     90  127  127     19   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     90  127  127      8   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     90  127  127     14   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     90  127  127     23   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     90  127  127      8   69  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     90  127  127      3   25  104  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     90  127  127      3    6   13   86  113  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     90  127  127      3   34  104  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     90  127  127      3   19  104  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     90  127  127      8   67  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     90  127  127      8   66  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     90  127  127     16   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     90  127  127     25   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     90  127  127     16   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     90  127  127     19   77  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     90  127  127     17   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     90  127  127     13   77  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     90  127  127     13   40  107  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     90  127  127     13   40   55  119  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     90  127  127     13   60  108  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     90  127  127     13   68  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     90  127  127     19   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     90  127  127     27   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     90  127  127     27   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     90  127  127     20   79  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     90  127  127      7   69  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     90  127  127      8   34  104  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     90  127  127      4   34   61  119  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     90  127  127      4    7  104  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     90  127  127      4   79  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     90  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     90  127  127     16   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     90  127  127     16   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     90  127  127     21   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     90  127  127     16   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     90  127  127     16   76  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     90  127  127     20   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     90  127  127     17   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     90  127  127     24   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     90  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     90  127  127     24   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     90  127  127     11   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     90  127  127     17   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     81  127  127     17   79  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     81  127  127     26   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     81  127  127     29   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     81  127  127      3   81  109  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  87.98  (  63.95  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     29     81    109    120    125    126    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  22.83  63.78  85.83  94.49  98.43  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.66   0.89   1.02   1.10   1.13   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17
GDT RMS_ALL_AT   1.23   1.21   1.18   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_C
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    20_B      E    20_C
#   possible swapping detected:  Y    21_B      Y    21_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  F    76_B      F    76_C
#   possible swapping detected:  E    87_B      E    87_C
#   possible swapping detected:  E    89_B      E    89_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  F   105_B      F   105_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  E   110_B      E   110_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  F   113_B      F   113_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   125_B      F   125_C
#   possible swapping detected:  F   128_B      F   128_C
#   possible swapping detected:  E   136_B      E   136_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     2.869     0    0.577   0.565     5.382   59.048   46.531
LGA    I     3_B      I     3_C     1.819     0    0.053   0.559     2.939   72.976   69.940
LGA    Q     4_B      Q     4_C     0.743     0    0.039   0.935     3.806   88.214   77.672
LGA    E     5_B      E     5_C     0.827     0    0.015   0.106     1.011   90.476   88.466
LGA    E     6_B      E     6_C     0.867     0    0.032   0.899     3.593   90.476   79.524
LGA    I     7_B      I     7_C     0.690     0    0.021   0.209     1.095   90.476   89.405
LGA    Q     8_B      Q     8_C     0.645     0    0.018   0.865     2.170   90.476   84.762
LGA    K     9_B      K     9_C     0.944     0    0.046   1.391     9.380   90.476   58.995
LGA    K    10_B      K    10_C     0.934     0    0.067   0.717     1.817   90.476   84.497
LGA    V    11_B      V    11_C     0.806     0    0.074   0.099     1.366   90.476   87.891
LGA    R    12_B      R    12_C     0.566     0    0.106   1.210     2.521   90.476   82.684
LGA    E    13_B      E    13_C     0.706     0    0.122   0.269     1.258   88.214   88.466
LGA    L    14_B      L    14_C     0.931     0    0.112   0.103     1.694   90.476   83.810
LGA    L    15_B      L    15_C     0.965     0    0.060   0.094     1.235   90.476   85.952
LGA    E    16_B      E    16_C     0.913     0    0.129   0.321     1.405   85.952   85.450
LGA    K    17_B      K    17_C     1.091     0    0.066   0.158     1.578   79.286   88.677
LGA    L    18_B      L    18_C     1.476     0    0.069   0.094     1.818   77.143   77.143
LGA    I    19_B      I    19_C     1.737     0    0.022   0.690     2.160   72.857   70.833
LGA    E    20_B      E    20_C     1.376     0    0.016   0.194     1.412   81.429   83.439
LGA    Y    21_B      Y    21_C     1.418     0    0.046   0.907     7.034   77.143   51.905
LGA    L    22_B      L    22_C     1.453     0    0.023   0.040     1.592   79.286   79.286
LGA    E    23_B      E    23_C     1.436     0    0.057   0.223     1.953   77.143   79.524
LGA    E    24_B      E    24_C     2.150     0    0.024   1.025     6.223   66.786   53.016
LGA    L    25_B      L    25_C     2.298     0    0.113   0.109     2.755   66.786   62.917
LGA    K    26_B      K    26_C     2.154     0    0.633   0.614     4.821   59.405   51.693
LGA    E    27_B      E    27_C     1.770     0    0.601   1.004     6.920   68.929   49.312
LGA    K    34_B      K    34_C     1.325     0    0.267   0.741     2.249   77.262   74.921
LGA    E    35_B      E    35_C     1.347     0    0.047   1.268     4.666   81.429   66.508
LGA    K    36_B      K    36_C     1.324     0    0.017   1.525    10.609   81.429   52.275
LGA    L    37_B      L    37_C     1.138     0    0.032   0.121     1.475   85.952   83.690
LGA    E    38_B      E    38_C     0.966     0    0.088   0.142     1.227   90.476   85.450
LGA    E    39_B      E    39_C     1.072     0    0.020   0.786     2.945   85.952   77.196
LGA    V    40_B      V    40_C     0.870     0    0.028   0.049     1.309   92.857   89.252
LGA    I    41_B      I    41_C     0.417     0    0.055   0.092     0.591   97.619   98.810
LGA    E    42_B      E    42_C     0.854     0    0.140   0.131     1.260   90.476   85.450
LGA    G    43_B      G    43_C     0.635     0    0.047   0.047     0.745   90.476   90.476
LGA    L    44_B      L    44_C     0.492     0    0.040   1.210     4.000   92.857   78.690
LGA    E    45_B      E    45_C     0.494     0    0.110   0.979     3.516   92.976   79.735
LGA    R    46_B      R    46_C     1.399     0    0.038   0.467     3.439   79.286   68.745
LGA    L    47_B      L    47_C     1.254     0    0.112   1.117     2.900   83.690   77.440
LGA    K    48_B      K    48_C     1.234     0    0.045   0.750     2.541   81.429   76.878
LGA    E    49_B      E    49_C     1.389     0    0.144   0.697     3.769   79.286   65.026
LGA    E    50_B      E    50_C     1.087     0    0.005   0.300     1.522   85.952   84.497
LGA    V    51_B      V    51_C     0.744     0    0.147   0.202     1.045   88.214   89.184
LGA    D    52_B      D    52_C     0.652     0    0.055   0.349     1.810   85.952   81.548
LGA    Q    55_B      Q    55_C     1.785     0    0.130   0.961     4.810   65.119   56.349
LGA    L    56_B      L    56_C     1.112     0    0.043   1.225     3.644   85.952   73.810
LGA    N    57_B      N    57_C     1.630     0    0.071   0.117     1.820   72.857   72.857
LGA    M    58_B      M    58_C     1.332     0    0.198   1.105     2.908   81.429   76.250
LGA    N    59_B      N    59_C     1.156     0    0.134   0.246     1.550   83.690   81.488
LGA    L    60_B      L    60_C     0.698     0    0.011   0.063     1.050   90.476   89.345
LGA    I    61_B      I    61_C     0.657     0    0.060   0.054     0.698   90.476   90.476
LGA    V    62_B      V    62_C     0.882     0    0.011   0.106     1.084   90.476   89.184
LGA    F    63_B      F    63_C     1.033     0    0.043   0.144     1.477   81.429   82.251
LGA    E    64_B      E    64_C     0.799     0    0.017   1.004     4.406   88.214   73.810
LGA    G    65_B      G    65_C     0.753     0    0.019   0.019     0.856   90.476   90.476
LGA    L    66_B      L    66_C     0.749     0    0.043   0.088     0.833   90.476   90.476
LGA    E    67_B      E    67_C     0.546     0    0.010   0.902     2.511   88.214   80.053
LGA    V    68_B      V    68_C     1.327     0    0.041   0.065     2.036   75.119   72.993
LGA    D    69_B      D    69_C     2.074     0    0.078   1.040     5.342   62.976   57.262
LGA    E    70_B      E    70_C     3.536     0    0.029   0.793     7.415   46.667   32.857
LGA    E    71_B      E    71_C     1.885     0    0.709   0.629     3.811   61.429   72.540
LGA    G    72_B      G    72_C     1.915     0    0.112   0.112     2.176   70.833   70.833
LGA    R    73_B      R    73_C     1.430     0    0.045   0.941     3.064   81.429   75.455
LGA    V    74_B      V    74_C     1.342     0    0.119   1.049     3.276   79.286   75.714
LGA    W    75_B      W    75_C     0.716     0    0.090   0.134     0.961   90.476   90.476
LGA    F    76_B      F    76_C     0.687     0    0.052   0.123     0.907   90.476   90.476
LGA    I    77_B      I    77_C     0.879     0    0.102   0.681     3.289   88.214   82.024
LGA    V    78_B      V    78_C     0.673     0    0.062   0.111     0.879   90.476   90.476
LGA    K    79_B      K    79_C     0.500     0    0.086   0.552     2.554   88.214   85.026
LGA    E    80_B      E    80_C     1.185     0    0.081   0.820     5.636   90.595   60.053
LGA    M    81_B      M    81_C     0.328     0    0.020   0.876     2.737   92.857   83.393
LGA    L    82_B      L    82_C     0.946     0    0.165   0.202     1.500   85.952   83.690
LGA    H    83_B      H    83_C     1.198     0    0.081   1.200     5.463   79.286   63.095
LGA    A    84_B      A    84_C     1.922     0    0.041   0.054     2.055   70.833   71.238
LGA    T    85_B      T    85_C     2.564     0    0.175   0.207     3.512   62.857   58.435
LGA    T    86_B      T    86_C     1.772     0    0.052   1.023     3.078   75.000   70.816
LGA    E    87_B      E    87_C     1.403     0    0.044   1.191     3.745   79.286   69.788
LGA    E    88_B      E    88_C     0.591     0    0.041   0.995     4.135   90.476   71.111
LGA    E    89_B      E    89_C     0.807     0    0.036   0.210     2.930   95.238   80.212
LGA    A    90_B      A    90_C     0.281     0    0.059   0.061     0.492  100.000  100.000
LGA    L    91_B      L    91_C     0.476     0    0.014   0.796     3.381   95.238   84.583
LGA    E    92_B      E    92_C     0.683     0    0.038   0.292     1.856   90.476   83.598
LGA    N    93_B      N    93_C     0.480     0    0.019   1.058     2.460   95.238   88.631
LGA    M    94_B      M    94_C     0.601     0    0.020   0.144     0.743   90.476   90.476
LGA    D    95_B      D    95_C     0.634     0    0.028   0.174     1.236   90.476   89.345
LGA    K    96_B      K    96_C     0.483     0    0.014   1.267     6.457   97.619   75.767
LGA    F    97_B      F    97_C     0.284     0    0.053   0.249     1.334  100.000   92.338
LGA    L    98_B      L    98_C     0.392     0    0.044   0.143     1.293  100.000   92.976
LGA    E    99_B      E    99_C     0.386     0    0.041   0.188     1.737  100.000   90.741
LGA    S   100_B      S   100_C     0.511     0    0.057   0.097     0.679   97.619   95.238
LGA    W   101_B      W   101_C     0.308     0    0.023   1.235     4.805  100.000   74.830
LGA    E   102_B      E   102_C     0.245     0    0.034   0.144     0.627  100.000   97.884
LGA    K   103_B      K   103_C     0.198     0    0.019   0.729     2.482  100.000   87.196
LGA    V   104_B      V   104_C     0.247     0    0.015   0.108     0.515  100.000   98.639
LGA    F   105_B      F   105_C     0.373     0    0.011   0.118     1.291  100.000   92.338
LGA    K   106_B      K   106_C     0.472     0    0.026   1.076     6.548  100.000   72.169
LGA    E   107_B      E   107_C     0.254     0    0.054   0.498     1.488  100.000   93.757
LGA    L   108_B      L   108_C     0.436     0    0.002   0.118     0.748  100.000   96.429
LGA    L   109_B      L   109_C     0.311     0    0.023   0.086     1.322  100.000   94.107
LGA    E   110_B      E   110_C     0.310     0    0.047   0.102     0.649  100.000   98.942
LGA    Y   111_B      Y   111_C     0.337     0    0.058   0.101     1.171   97.619   94.484
LGA    H   112_B      H   112_C     0.411     0    0.036   1.139     2.908   95.238   84.905
LGA    F   113_B      F   113_C     0.986     0    0.098   0.890     4.562   85.952   65.887
LGA    E   114_B      E   114_C     1.506     0    0.135   0.399     1.943   75.000   75.714
LGA    H   115_B      H   115_C     1.928     0    0.149   1.166     7.253   70.833   49.286
LGA    N   116_B      N   116_C     2.523     0    0.118   0.837     3.573   59.048   57.321
LGA    S   119_B      S   119_C     1.929     0    0.080   0.273     3.189   71.429   73.492
LGA    P   120_B      P   120_C     0.844     0    0.091   0.169     1.862   88.214   82.857
LGA    T   121_B      T   121_C     0.252     0    0.044   0.077     0.451  100.000  100.000
LGA    F   122_B      F   122_C     0.531     0    0.015   0.328     1.671   92.857   85.671
LGA    D   123_B      D   123_C     1.116     0    0.083   0.149     2.082   88.214   80.595
LGA    F   124_B      F   124_C     0.715     0    0.042   0.104     0.812   90.476   90.476
LGA    F   125_B      F   125_C     0.616     0    0.019   0.310     1.944   90.476   84.848
LGA    L   126_B      L   126_C     0.825     0    0.015   0.161     0.982   90.476   90.476
LGA    D   127_B      D   127_C     1.131     0    0.058   0.283     2.108   88.214   79.583
LGA    F   128_B      F   128_C     0.782     0    0.033   0.374     2.430   90.476   80.952
LGA    L   129_B      L   129_C     0.893     0    0.020   0.149     1.148   90.476   87.083
LGA    W   130_B      W   130_C     0.648     0    0.050   0.109     0.816   90.476   93.878
LGA    W   131_B      W   131_C     0.551     0    0.061   0.120     0.850   90.476   95.238
LGA    Q   132_B      Q   132_C     0.638     0    0.118   0.462     2.145   92.857   86.667
LGA    L   133_B      L   133_C     0.730     0    0.096   0.176     1.112   90.476   88.214
LGA    Y   134_B      Y   134_C     0.957     0    0.062   0.371     1.519   85.952   85.238
LGA    G   135_B      G   135_C     1.314     0    0.031   0.031     1.314   81.429   81.429
LGA    E   136_B      E   136_C     0.790     0    0.025   0.083     1.856   90.476   82.593
LGA    P   137_B      P   137_C     0.749     0    0.558   0.819     3.478   78.095   82.109
LGA    M   138_B      M   138_C     0.822     0    0.657   0.987     6.613   71.667   50.357

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):     1.170          1.224                  1.915           85.750   79.541

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.17    89.567    95.545     9.998

LGA_LOCAL      RMSD:   1.170  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.170  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.170  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.590488 * X  +  -0.652970 * Y  +   0.474292 * Z  +  23.545685
  Y_new =  -0.737471 * X  +   0.197857 * Y  +  -0.645747 * Z  +   2.347309
  Z_new =   0.327812 * X  +  -0.731083 * Y  +  -0.598379 * Z  +  71.015114 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.245960 -0.333986 -2.256706   [DEG: -128.6840  -19.1360 -129.2998 ]
ZXZ:  0.633498  2.212273  2.720077   [DEG:   36.2968  126.7539  155.8489 ]
 
# END of job
