
#######################################################
#                                                     #
#                        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       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      34_C - 113_C       1.00     1.17
  LONGEST_CONTINUOUS_SEGMENT:    78      35_C - 114_C       0.99     1.18
  LCS_AVERAGE:     56.69

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     60  127  127      4   40   84  106  122  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     60  127  127      4   26  107  119  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     60  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     60  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     60  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     60  127  127      8   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     60  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     60  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     60  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     60  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     60  127  127     30   78  108  119  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     60  127  127     10   72  108  119  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     60  127  127     10   71  106  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     60  127  127      3    5   96  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     78  127  127     40   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     78  127  127     36   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     78  127  127     33   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     78  127  127     15   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     78  127  127      3   71  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     78  127  127     15   76  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     78  127  127     20   82  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     78  127  127     10   82  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     78  127  127     25   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     78  127  127     39   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     78  127  127     35   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     78  127  127      7   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     78  127  127     33   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     78  127  127     33   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     78  127  127     42   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     78  127  127     17   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     78  127  127     14   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     78  127  127     12   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     78  127  127     25   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     78  127  127     37   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     78  127  127      6   86  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     78  127  127      4   34  104  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     78  127  127      4    8   15   96  119  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     78  127  127      3   46   79  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     78  127  127      3   16  107  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     78  127  127      6   76  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     78  127  127     12   86  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     78  127  127     44   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     78  127  127     44   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     78  127  127     25   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     78  127  127     45   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     78  127  127     17   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     78  127  127     20   74  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     78  127  127      9   52  101  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     78  127  127     10   34   98  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     78  127  127      7   34   98  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     78  127  127      7   75  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     78  127  127     18   88  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     78  127  127     11   88  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     78  127  127     33   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     78  127  127     45   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     78  127  127     45   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     78  127  127     43   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     78  127  127     39   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     78  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     78  127  127     36   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     78  127  127     37   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     78  127  127     37   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     78  127  127     19   89  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     78  127  127      5   79  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     77  127  127      4   34  103  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     64  127  127      4    8   18  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     64  127  127      3   27  104  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     64  127  127     26   89  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     64  127  127     42   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     64  127  127     35   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     64  127  127     47   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     64  127  127     12   89  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     64  127  127      4   84  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     64  127  127     19   77  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     64  127  127      9   90  108  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  85.56  (  56.69  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     47     90    108    120    124    127    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  37.01  70.87  85.04  94.49  97.64 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.59   0.76   0.97   1.02   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.25   1.19   1.17   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# 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:  D    52_B      D    52_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    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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     3.046     0    0.566   0.558     5.636   55.357   42.925
LGA    I     3_B      I     3_C     1.763     0    0.090   0.590     3.254   75.119   69.107
LGA    Q     4_B      Q     4_C     0.658     0    0.041   1.066     5.689   90.476   69.471
LGA    E     5_B      E     5_C     0.763     0    0.011   0.122     0.973   90.476   90.476
LGA    E     6_B      E     6_C     0.776     0    0.036   0.879     3.562   90.476   79.524
LGA    I     7_B      I     7_C     0.561     0    0.039   0.121     0.863   90.476   90.476
LGA    Q     8_B      Q     8_C     0.556     0    0.015   0.871     2.284   90.476   85.661
LGA    K     9_B      K     9_C     0.768     0    0.043   1.405     9.297   90.476   61.376
LGA    K    10_B      K    10_C     0.786     0    0.084   0.872     2.386   90.476   85.608
LGA    V    11_B      V    11_C     0.532     0    0.058   0.091     1.020   95.238   93.265
LGA    R    12_B      R    12_C     0.236     0    0.124   1.464     4.367  100.000   78.571
LGA    E    13_B      E    13_C     0.491     0    0.101   0.207     1.407   97.619   90.635
LGA    L    14_B      L    14_C     0.470     0    0.105   0.098     1.402  100.000   91.845
LGA    L    15_B      L    15_C     0.584     0    0.046   0.083     0.883   92.857   91.667
LGA    E    16_B      E    16_C     0.415     0    0.110   0.282     0.850   92.857   94.709
LGA    K    17_B      K    17_C     0.405     0    0.067   0.710     3.384   95.238   80.635
LGA    L    18_B      L    18_C     0.821     0    0.079   0.239     1.337   85.952   85.952
LGA    I    19_B      I    19_C     1.424     0    0.014   0.691     2.014   81.429   76.131
LGA    E    20_B      E    20_C     1.072     0    0.006   0.877     3.968   83.690   74.497
LGA    Y    21_B      Y    21_C     0.819     0    0.045   0.942     6.817   85.952   58.452
LGA    L    22_B      L    22_C     1.117     0    0.022   0.053     1.428   83.690   85.952
LGA    E    23_B      E    23_C     1.283     0    0.062   0.958     4.834   77.143   67.989
LGA    E    24_B      E    24_C     1.839     0    0.023   1.024     5.647   70.833   58.360
LGA    L    25_B      L    25_C     2.065     0    0.129   1.348     4.833   68.810   59.940
LGA    K    26_B      K    26_C     2.215     0    0.619   0.659     4.134   57.857   52.169
LGA    E    27_B      E    27_C     1.734     0    0.598   1.043     6.986   66.905   47.937
LGA    K    34_B      K    34_C     1.023     0    0.308   0.740     2.160   81.786   76.931
LGA    E    35_B      E    35_C     1.042     0    0.047   1.647     6.345   85.952   62.751
LGA    K    36_B      K    36_C     0.927     0    0.018   1.553    10.225   90.476   57.778
LGA    L    37_B      L    37_C     0.843     0    0.031   0.088     1.326   90.476   87.083
LGA    E    38_B      E    38_C     0.685     0    0.097   0.168     1.448   92.857   88.519
LGA    E    39_B      E    39_C     0.622     0    0.022   0.799     3.704   90.476   77.037
LGA    V    40_B      V    40_C     0.501     0    0.019   0.057     0.894   95.238   93.197
LGA    I    41_B      I    41_C     0.180     0    0.052   0.103     0.608  100.000   98.810
LGA    E    42_B      E    42_C     0.372     0    0.106   0.111     0.567  100.000   96.825
LGA    G    43_B      G    43_C     0.297     0    0.058   0.058     0.395  100.000  100.000
LGA    L    44_B      L    44_C     0.448     0    0.048   1.185     3.765   95.238   79.881
LGA    E    45_B      E    45_C     0.507     0    0.120   0.967     3.864   95.238   78.836
LGA    R    46_B      R    46_C     0.907     0    0.044   1.011     3.361   88.214   78.701
LGA    L    47_B      L    47_C     1.209     0    0.063   1.154     3.107   83.690   77.619
LGA    K    48_B      K    48_C     1.205     0    0.008   0.728     2.321   79.286   76.772
LGA    E    49_B      E    49_C     1.294     0    0.160   0.703     3.380   79.286   68.095
LGA    E    50_B      E    50_C     1.263     0    0.042   0.419     1.612   81.429   81.587
LGA    V    51_B      V    51_C     1.039     0    0.177   0.205     1.377   83.690   82.721
LGA    D    52_B      D    52_C     0.884     0    0.073   0.901     6.105   79.643   58.988
LGA    Q    55_B      Q    55_C     0.993     0    0.035   0.989     2.764   85.952   78.836
LGA    L    56_B      L    56_C     0.819     0    0.044   0.220     2.026   95.238   85.179
LGA    N    57_B      N    57_C     0.551     0    0.077   0.126     1.665   95.238   87.262
LGA    M    58_B      M    58_C     0.419     0    0.119   1.066     2.221   97.619   87.619
LGA    N    59_B      N    59_C     0.500     0    0.054   0.221     0.694   95.238   95.238
LGA    L    60_B      L    60_C     0.187     0    0.087   0.145     0.617   97.619   97.619
LGA    I    61_B      I    61_C     0.753     0    0.064   0.088     0.885   90.476   90.476
LGA    V    62_B      V    62_C     1.062     0    0.016   0.100     1.231   88.214   85.306
LGA    F    63_B      F    63_C     1.178     0    0.046   0.223     2.165   79.286   76.840
LGA    E    64_B      E    64_C     0.906     0    0.008   0.954     3.717   88.214   75.291
LGA    G    65_B      G    65_C     0.760     0    0.023   0.023     0.813   90.476   90.476
LGA    L    66_B      L    66_C     0.577     0    0.057   0.093     0.673   92.857   91.667
LGA    E    67_B      E    67_C     0.440     0    0.047   0.919     2.212   92.976   82.857
LGA    V    68_B      V    68_C     1.232     0    0.035   0.048     2.144   77.381   75.442
LGA    D    69_B      D    69_C     2.139     0    0.072   1.037     5.551   62.976   55.774
LGA    E    70_B      E    70_C     3.548     0    0.027   0.799     7.147   46.667   33.968
LGA    E    71_B      E    71_C     2.121     0    0.708   0.624     4.096   57.857   68.095
LGA    G    72_B      G    72_C     1.797     0    0.134   0.134     2.155   70.833   70.833
LGA    R    73_B      R    73_C     1.280     0    0.042   0.942     2.710   81.429   75.325
LGA    V    74_B      V    74_C     1.140     0    0.112   1.036     3.138   83.690   78.231
LGA    W    75_B      W    75_C     0.711     0    0.094   0.104     0.950   90.476   90.476
LGA    F    76_B      F    76_C     0.723     0    0.063   0.325     1.125   90.476   88.831
LGA    I    77_B      I    77_C     0.938     0    0.087   0.664     3.430   88.214   80.893
LGA    V    78_B      V    78_C     0.582     0    0.072   0.131     0.753   90.476   90.476
LGA    K    79_B      K    79_C     0.726     0    0.095   0.541     2.961   88.214   80.053
LGA    E    80_B      E    80_C     1.244     0    0.079   0.924     5.646   90.595   61.270
LGA    M    81_B      M    81_C     0.693     0    0.011   0.861     5.727   90.476   69.762
LGA    L    82_B      L    82_C     0.678     0    0.209   0.244     1.906   88.452   89.464
LGA    H    83_B      H    83_C     0.634     0    0.081   0.292     1.534   90.476   86.905
LGA    A    84_B      A    84_C     1.515     0    0.082   0.109     1.711   75.000   74.571
LGA    T    85_B      T    85_C     2.078     0    0.205   0.223     2.698   70.833   67.143
LGA    T    86_B      T    86_C     2.177     0    0.054   0.976     3.329   66.786   63.810
LGA    E    87_B      E    87_C     2.323     0    0.074   1.019     3.630   66.905   60.000
LGA    E    88_B      E    88_C     1.655     0    0.043   0.962     5.263   77.143   58.360
LGA    E    89_B      E    89_C     1.230     0    0.038   0.271     2.974   85.952   76.984
LGA    A    90_B      A    90_C     0.979     0    0.057   0.057     1.326   88.214   86.857
LGA    L    91_B      L    91_C     0.725     0    0.027   0.849     3.047   92.857   85.476
LGA    E    92_B      E    92_C     0.597     0    0.035   0.302     1.289   90.476   87.460
LGA    N    93_B      N    93_C     0.492     0    0.012   1.063     2.884   97.619   88.750
LGA    M    94_B      M    94_C     0.308     0    0.032   0.112     0.772  100.000   97.619
LGA    D    95_B      D    95_C     0.308     0    0.024   0.130     0.726  100.000   96.429
LGA    K    96_B      K    96_C     0.612     0    0.014   1.282     6.699   92.857   72.540
LGA    F    97_B      F    97_C     0.578     0    0.045   0.063     0.608   95.238   92.208
LGA    L    98_B      L    98_C     0.231     0    0.054   0.131     0.578  100.000   98.810
LGA    E    99_B      E    99_C     0.289     0    0.027   0.198     0.982  100.000   96.825
LGA    S   100_B      S   100_C     0.429     0    0.059   0.084     0.456  100.000  100.000
LGA    W   101_B      W   101_C     0.511     0    0.032   1.454     5.632   95.238   71.565
LGA    E   102_B      E   102_C     0.446     0    0.038   0.234     0.774   97.619   96.825
LGA    K   103_B      K   103_C     0.316     0    0.018   0.721     2.110  100.000   88.995
LGA    V   104_B      V   104_C     0.202     0    0.019   0.090     0.609   97.619   95.918
LGA    F   105_B      F   105_C     0.761     0    0.000   0.193     2.174   90.476   80.173
LGA    K   106_B      K   106_C     0.790     0    0.032   1.011     7.002   92.857   66.455
LGA    E   107_B      E   107_C     0.325     0    0.051   0.492     1.543  100.000   92.804
LGA    L   108_B      L   108_C     0.652     0    0.000   0.103     0.816   90.476   90.476
LGA    L   109_B      L   109_C     0.604     0    0.016   0.113     1.796   95.238   88.393
LGA    E   110_B      E   110_C     0.346     0    0.036   0.145     1.019  100.000   95.820
LGA    Y   111_B      Y   111_C     0.262     0    0.072   0.107     1.317   97.619   92.937
LGA    H   112_B      H   112_C     0.354     0    0.022   1.103     3.050   97.619   83.286
LGA    F   113_B      F   113_C     1.016     0    0.117   0.924     4.607   86.071   65.411
LGA    E   114_B      E   114_C     1.544     0    0.148   0.403     1.912   75.000   75.714
LGA    H   115_B      H   115_C     2.214     0    0.151   1.159     6.906   66.786   48.095
LGA    N   116_B      N   116_C     2.907     0    0.106   0.855     3.968   53.571   52.738
LGA    S   119_B      S   119_C     2.116     0    0.035   0.636     3.314   65.119   67.778
LGA    P   120_B      P   120_C     0.874     0    0.110   0.186     2.063   92.976   84.422
LGA    T   121_B      T   121_C     0.334     0    0.033   0.099     0.881  100.000   98.639
LGA    F   122_B      F   122_C     0.436     0    0.029   0.385     1.983   95.238   86.580
LGA    D   123_B      D   123_C     0.773     0    0.109   0.214     1.846   90.476   84.881
LGA    F   124_B      F   124_C     0.714     0    0.055   0.095     1.145   90.476   87.186
LGA    F   125_B      F   125_C     0.727     0    0.079   0.134     1.998   92.857   83.290
LGA    L   126_B      L   126_C     0.630     0    0.020   0.188     1.157   90.476   89.345
LGA    D   127_B      D   127_C     0.852     0    0.065   0.363     2.121   90.476   81.726
LGA    F   128_B      F   128_C     0.598     0    0.053   0.356     1.299   92.857   89.697
LGA    L   129_B      L   129_C     0.515     0    0.011   0.144     0.625   90.476   94.048
LGA    W   130_B      W   130_C     0.582     0    0.050   0.108     1.261   90.476   87.891
LGA    W   131_B      W   131_C     0.592     0    0.042   0.136     1.253   92.857   88.571
LGA    Q   132_B      Q   132_C     0.644     0    0.080   0.710     2.017   90.476   86.614
LGA    L   133_B      L   133_C     0.745     0    0.099   0.143     1.174   88.214   88.214
LGA    Y   134_B      Y   134_C     0.708     0    0.072   0.272     0.908   90.476   92.857
LGA    G   135_B      G   135_C     1.450     0    0.034   0.034     1.574   79.286   79.286
LGA    E   136_B      E   136_C     1.596     0    0.018   0.748     2.656   79.286   74.021
LGA    P   137_B      P   137_C     1.593     0    0.556   0.630     4.082   64.048   69.048
LGA    M   138_B      M   138_C     1.132     0    0.657   1.350     7.299   69.405   49.167

# 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):     1.125          1.184                  1.930           86.953   79.989

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.13    91.339    96.042    10.367

LGA_LOCAL      RMSD:   1.125  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.125  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.125  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.929901 * X  +   0.282051 * Y  +  -0.236076 * Z  +  24.419498
  Y_new =  -0.234883 * X  +   0.949296 * Y  +   0.208966 * Z  +  -1.704561
  Z_new =   0.283045 * X  +  -0.138868 * Y  +   0.949000 * Z  +  67.707085 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.247414 -0.286968 -0.145299   [DEG:  -14.1758  -16.4420   -8.3250 ]
ZXZ: -2.295355  0.320747  2.026912   [DEG: -131.5142   18.3775  116.1335 ]
 
# END of job
