
#######################################################
#                                                     #
#                        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  183 ( 1436),  selected  125 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125      59_A - 186_A       1.17     1.17
  LCS_AVERAGE:     99.21

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125      59_A - 186_A       1.17     1.17
  LCS_AVERAGE:     99.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      60_A - 159_A       0.99     1.27
  LONGEST_CONTINUOUS_SEGMENT:    97      61_A - 160_A       1.00     1.26
  LCS_AVERAGE:     76.48

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     R    59_A     R    59_A     69  125  125      0   12   26   41   56   88  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    60_A     R    60_A     97  125  125     16   51  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    61_A     V    61_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    62_A     K    62_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    63_A     L    63_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    64_A     R    64_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    65_A     K    65_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    66_A     H    66_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    67_A     L    67_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    68_A     V    68_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    69_A     E    69_A     97  125  125     33   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    70_A     I    70_A     97  125  125     26   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    71_A     N    71_A     97  125  125     26   71  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    72_A     A    72_A     97  125  125     21   72  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    73_A     D    73_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    75_A     I    75_A     97  125  125     40   77  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    76_A     T    76_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    77_A     I    77_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    78_A     T    78_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    79_A     L    79_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    80_A     S    80_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_A     Y    82_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    83_A     T    83_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    84_A     S    84_A     97  125  125     16   65   97  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    85_A     P    85_A     97  125  125     13   52   93  119  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    86_A     E    86_A     97  125  125     14   51   88  113  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    87_A     A    87_A     97  125  125     19   65   97  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_A     L    88_A     97  125  125     40   77  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    89_A     E    89_A     97  125  125     33   73  106  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    90_A     R    90_A     97  125  125     26   70  100  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    91_A     S    91_A     97  125  125     35   77  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    92_A     I    92_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_A     T    93_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_A     A    94_A     97  125  125     16   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    95_A     L    95_A     97  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    96_A     A    96_A     97  125  125     14   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    97_A     A    97_A     97  125  125     11   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    98_A     M    98_A     97  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    99_A     T    99_A     97  125  125      7   77  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   100_A     G   100_A     97  125  125     16   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H   101_A     H   101_A     97  125  125     30   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   102_A     A   102_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_A     P   103_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   104_A     S   104_A     97  125  125     40   77  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   105_A     S   105_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   106_A     I   106_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   107_A     K   107_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   108_A     E   108_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   109_A     E   109_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   110_A     C   110_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   111_A     V   111_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   112_A     E   112_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   113_A     L   113_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   114_A     I   114_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   115_A     D   115_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   116_A     K   116_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   117_A     L   117_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   118_A     D   118_A     97  125  125     17   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   119_A     W   119_A     97  125  125     15   74  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A     97  125  125     25   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   121_A     R   121_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   122_A     V   122_A     97  125  125     30   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     97  125  125     14   74  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   124_A     N   124_A     97  125  125     17   63   93  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   125_A     D   125_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_A     V   126_A     97  125  125     40   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   127_A     I   127_A     97  125  125     35   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   128_A     Q   128_A     97  125  125     17   75  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   129_A     Y   129_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   130_A     P   130_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   131_A     T   131_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   132_A     L   132_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   133_A     S   133_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   134_A     K   134_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   135_A     L   135_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   136_A     L   136_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   137_A     E   137_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   138_A     L   138_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   139_A     Y   139_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   140_A     N   140_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   141_A     S   141_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   142_A     Q   142_A     97  125  125     15   73  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   143_A     N   143_A     97  125  125     12   71  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H   147_A     H   147_A     97  125  125     14   72  100  119  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   148_A     L   148_A     97  125  125     17   75  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   149_A     S   149_A     97  125  125     31   73  110  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   150_A     I   150_A     97  125  125     31   75  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   151_A     E   151_A     97  125  125     31   75  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   152_A     K   152_A     97  125  125     31   76  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   153_A     L   153_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   154_A     I   154_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   155_A     A   155_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   156_A     G   156_A     97  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   157_A     L   157_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   158_A     A   158_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   159_A     V   159_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   160_A     R   160_A     97  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   161_A     R   161_A     95  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   162_A     K   162_A     95  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   163_A     V   163_A     95  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   164_A     C   164_A     95  125  125     17   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   165_A     K   165_A     95  125  125     17   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   166_A     L   166_A     95  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   167_A     V   167_A     95  125  125     30   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   168_A     Q   168_A     95  125  125     30   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   169_A     D   169_A     95  125  125     19   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   170_A     G   170_A     95  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H   171_A     H   171_A     95  125  125     30   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   172_A     I   172_A     95  125  125     29   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   173_A     D   173_A     95  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   174_A     E   174_A     95  125  125     14   73  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   175_A     T   175_A     95  125  125     12   63  110  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   176_A     V   176_A     95  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   177_A     Y   177_A     95  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   178_A     R   178_A     95  125  125     15   75  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   179_A     A   179_A     95  125  125     23   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   180_A     L   180_A     95  125  125     26   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   181_A     D   181_A     95  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   182_A     E   182_A     95  125  125     31   75  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   183_A     M   183_A     95  125  125     31   78  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   184_A     A   184_A     95  125  125     17   74  111  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   185_A     A   185_A     95  125  125     17   70   95  119  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   186_A     G   186_A     95  125  125     15   64  106  120  124  124  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  91.63  (  76.48   99.21   99.21 )

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     40     78    111    120    124    124    124    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  31.75  61.90  88.10  95.24  98.41  98.41  98.41  99.21  99.21  99.21  99.21  99.21  99.21  99.21  99.21  99.21  99.21  99.21  99.21  99.21
GDT RMS_LOCAL    0.31   0.70   0.91   1.01   1.08   1.08   1.08   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   1.69   1.22   1.18   1.18   1.18   1.18   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

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   151_A      E   151_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A     5.090     6    0.554   0.577     6.059   37.619   15.628
LGA    R    60_A      R    60_A     1.652     6    0.558   0.510     4.461   75.000   30.649
LGA    V    61_A      V    61_A     0.379     0    0.064   0.066     0.625   95.238   97.279
LGA    K    62_A      K    62_A     0.695     0    0.031   0.725     3.701   95.238   78.889
LGA    L    63_A      L    63_A     0.508     0    0.043   0.700     2.470   90.476   85.000
LGA    R    64_A      R    64_A     0.596     6    0.078   0.135     0.679   97.619   43.723
LGA    K    65_A      K    65_A     0.721     0    0.061   0.293     1.262   90.476   89.471
LGA    H    66_A      H    66_A     0.813     0    0.092   0.109     1.090   90.476   87.762
LGA    L    67_A      L    67_A     0.690     0    0.025   1.050     3.587   92.857   78.393
LGA    V    68_A      V    68_A     0.400     0    0.054   1.083     2.521   97.619   87.483
LGA    E    69_A      E    69_A     1.009     0    0.106   0.468     3.589   88.214   76.508
LGA    I    70_A      I    70_A     1.050     0    0.048   0.253     1.242   83.690   88.274
LGA    N    71_A      N    71_A     1.513     0    0.023   0.380     2.329   75.000   75.060
LGA    A    72_A      A    72_A     1.481     0    0.062   0.067     1.722   79.286   79.714
LGA    D    73_A      D    73_A     1.114     0    0.107   0.274     1.470   81.429   81.429
LGA    E    74_A      E    74_A     1.070     0    0.052   0.953     2.664   85.952   80.741
LGA    I    75_A      I    75_A     1.248     0    0.077   1.258     3.501   83.690   75.655
LGA    T    76_A      T    76_A     1.180     0    0.033   0.177     1.338   81.429   81.429
LGA    I    77_A      I    77_A     1.139     0    0.043   0.517     1.813   85.952   83.750
LGA    T    78_A      T    78_A     0.659     0    0.014   0.092     0.966   92.857   91.837
LGA    L    79_A      L    79_A     0.409     0    0.045   0.141     0.706   97.619   95.238
LGA    S    80_A      S    80_A     0.173     0    0.045   0.055     0.302  100.000  100.000
LGA    R    81_A      R    81_A     0.129     0    0.026   0.866     4.221  100.000   87.879
LGA    Y    82_A      Y    82_A     0.242     0    0.099   0.107     1.104   95.238   93.690
LGA    T    83_A      T    83_A     0.867     0    0.050   0.102     1.232   85.952   87.891
LGA    S    84_A      S    84_A     2.069     0    0.038   0.063     2.521   68.810   66.190
LGA    P    85_A      P    85_A     2.363     0    0.051   0.085     2.823   64.762   62.585
LGA    E    86_A      E    86_A     2.752     0    0.080   0.950     6.427   57.143   43.704
LGA    A    87_A      A    87_A     2.050     0    0.074   0.080     2.291   68.810   69.619
LGA    L    88_A      L    88_A     1.286     0    0.087   0.127     1.652   79.286   81.488
LGA    E    89_A      E    89_A     1.686     0    0.028   0.139     1.956   75.000   73.810
LGA    R    90_A      R    90_A     1.921     0    0.017   1.225     6.676   72.857   54.242
LGA    S    91_A      S    91_A     1.212     0    0.038   0.057     1.531   83.810   83.016
LGA    I    92_A      I    92_A     0.715     0    0.081   0.141     1.143   90.476   89.345
LGA    T    93_A      T    93_A     0.854     0    0.025   0.057     1.424   90.476   86.599
LGA    A    94_A      A    94_A     1.143     0    0.049   0.055     1.347   83.690   83.238
LGA    L    95_A      L    95_A     0.717     0    0.066   0.136     0.965   90.476   90.476
LGA    A    96_A      A    96_A     0.859     0    0.028   0.051     1.059   88.214   88.667
LGA    A    97_A      A    97_A     1.017     0    0.110   0.138     1.356   83.690   83.238
LGA    M    98_A      M    98_A     0.799     0    0.019   0.207     1.241   85.952   87.143
LGA    T    99_A      T    99_A     1.181     0    0.090   0.147     1.621   79.286   80.204
LGA    G   100_A      G   100_A     0.987     0    0.034   0.034     1.046   88.214   88.214
LGA    H   101_A      H   101_A     0.422     5    0.017   0.039     0.761   97.619   48.095
LGA    A   102_A      A   102_A     0.596     0    0.062   0.098     0.900   92.857   92.381
LGA    P   103_A      P   103_A     0.837     0    0.074   0.082     1.242   85.952   86.599
LGA    S   104_A      S   104_A     1.190     0    0.029   0.250     1.883   81.429   80.000
LGA    S   105_A      S   105_A     0.898     0    0.093   0.539     1.621   88.214   86.032
LGA    I   106_A      I   106_A     0.532     0    0.032   0.712     2.390   90.476   89.643
LGA    K   107_A      K   107_A     0.931     0    0.023   0.301     1.676   88.214   84.497
LGA    E   108_A      E   108_A     1.022     3    0.054   0.705     3.345   85.952   52.804
LGA    E   109_A      E   109_A     0.659     0    0.037   0.611     2.128   90.476   80.847
LGA    C   110_A      C   110_A     0.541     0    0.047   0.046     0.690   90.476   92.063
LGA    V   111_A      V   111_A     0.862     0    0.025   0.077     1.219   90.476   87.891
LGA    E   112_A      E   112_A     0.860     0    0.038   0.517     2.399   90.476   83.598
LGA    L   113_A      L   113_A     0.451     0    0.029   0.138     0.474  100.000  100.000
LGA    I   114_A      I   114_A     0.509     0    0.038   0.107     0.559   92.857   96.429
LGA    D   115_A      D   115_A     0.568     0    0.030   0.785     3.910   90.476   75.357
LGA    K   116_A      K   116_A     0.716     2    0.036   0.080     1.127   90.476   68.360
LGA    L   117_A      L   117_A     0.621     0    0.124   0.238     0.655   92.857   94.048
LGA    D   118_A      D   118_A     0.941     0    0.043   0.614     3.350   88.214   76.905
LGA    W   119_A      W   119_A     1.155     0    0.091   0.199     1.244   81.429   88.673
LGA    L   120_A      L   120_A     0.902     0    0.122   1.362     3.002   90.595   80.000
LGA    R   121_A      R   121_A     0.441     0    0.033   0.999     3.725   95.238   82.511
LGA    V   122_A      V   122_A     0.515     0    0.181   0.205     1.003   95.238   91.905
LGA    E   123_A      E   123_A     1.267     4    0.041   0.056     1.713   83.690   45.291
LGA    N   124_A      N   124_A     1.907     0    0.056   0.068     3.744   75.000   62.560
LGA    D   125_A      D   125_A     0.479     0    0.099   0.741     2.972   97.619   83.690
LGA    V   126_A      V   126_A     0.444     0    0.027   0.081     0.571   95.238   95.918
LGA    I   127_A      I   127_A     0.598     0    0.052   0.154     0.961   90.476   91.667
LGA    Q   128_A      Q   128_A     1.115     0    0.083   1.124     5.358   88.214   69.894
LGA    Y   129_A      Y   129_A     1.010     0    0.020   0.196     2.852   88.214   75.357
LGA    P   130_A      P   130_A     1.086     0    0.033   0.144     1.403   83.690   84.014
LGA    T   131_A      T   131_A     0.728     0    0.037   0.094     0.871   90.476   90.476
LGA    L   132_A      L   132_A     0.762     0    0.039   0.155     0.964   90.476   91.667
LGA    S   133_A      S   133_A     1.065     0    0.106   0.455     1.568   88.214   84.524
LGA    K   134_A      K   134_A     0.720     4    0.063   0.068     0.834   92.857   51.323
LGA    L   135_A      L   135_A     0.485     0    0.040   0.140     0.644   92.857   95.238
LGA    L   136_A      L   136_A     0.836     0    0.039   1.284     3.363   90.476   81.012
LGA    E   137_A      E   137_A     1.075     4    0.037   0.037     1.255   83.690   46.243
LGA    L   138_A      L   138_A     0.633     3    0.025   0.040     0.775   90.476   56.548
LGA    Y   139_A      Y   139_A     0.817     0    0.019   0.084     1.505   88.214   83.730
LGA    N   140_A      N   140_A     1.217     0    0.068   0.129     1.824   79.286   77.143
LGA    S   141_A      S   141_A     1.127     0    0.197   0.206     1.158   83.690   82.937
LGA    Q   142_A      Q   142_A     1.445     4    0.220   0.213     1.832   79.286   44.286
LGA    N   143_A      N   143_A     1.368     3    0.081   0.082     1.650   77.143   49.881
LGA    H   147_A      H   147_A     2.134     0    0.083   1.180     3.573   66.786   61.190
LGA    L   148_A      L   148_A     1.522     0    0.047   0.079     1.642   72.857   73.929
LGA    S   149_A      S   149_A     1.672     0    0.037   0.118     1.949   75.000   74.286
LGA    I   150_A      I   150_A     1.363     0    0.034   0.475     2.485   81.429   78.274
LGA    E   151_A      E   151_A     1.336     0    0.033   0.119     1.613   81.429   76.667
LGA    K   152_A      K   152_A     1.200     0    0.054   0.758     2.971   81.429   74.974
LGA    L   153_A      L   153_A     0.990     0    0.036   0.134     1.192   88.214   88.214
LGA    I   154_A      I   154_A     0.719     0    0.014   0.082     0.960   92.857   91.667
LGA    A   155_A      A   155_A     0.560     0    0.036   0.035     0.642   90.476   90.476
LGA    G   156_A      G   156_A     0.556     0    0.089   0.089     0.556   97.619   97.619
LGA    L   157_A      L   157_A     0.160     0    0.035   0.119     0.389  100.000  100.000
LGA    A   158_A      A   158_A     0.240     0    0.110   0.120     0.413  100.000  100.000
LGA    V   159_A      V   159_A     0.693     0    0.296   1.157     2.264   88.214   82.993
LGA    R   160_A      R   160_A     0.865     0    0.053   0.924     3.261   90.476   81.126
LGA    R   161_A      R   161_A     0.987     0    0.088   1.063     6.894   90.476   64.762
LGA    K   162_A      K   162_A     0.948     0    0.065   0.534     2.359   90.476   78.942
LGA    V   163_A      V   163_A     0.881     0    0.014   0.038     0.964   90.476   90.476
LGA    C   164_A      C   164_A     1.093     0    0.019   0.653     1.285   83.690   82.937
LGA    K   165_A      K   165_A     1.047     0    0.026   0.602     3.101   85.952   78.042
LGA    L   166_A      L   166_A     0.829     0    0.070   0.145     0.951   90.476   90.476
LGA    V   167_A      V   167_A     0.843     0    0.011   0.042     0.861   90.476   90.476
LGA    Q   168_A      Q   168_A     0.750     0    0.029   0.402     1.323   90.476   90.529
LGA    D   169_A      D   169_A     0.885     0    0.030   0.187     1.127   90.476   89.405
LGA    G   170_A      G   170_A     0.845     0    0.062   0.062     1.114   88.214   88.214
LGA    H   171_A      H   171_A     0.799     0    0.129   1.066     2.455   88.214   79.095
LGA    I   172_A      I   172_A     0.724     0    0.110   0.705     2.982   88.214   85.179
LGA    D   173_A      D   173_A     0.790     0    0.093   1.098     3.624   90.476   80.119
LGA    E   174_A      E   174_A     1.544     4    0.071   0.084     1.825   75.000   41.429
LGA    T   175_A      T   175_A     1.615     0    0.013   0.148     2.250   77.143   74.150
LGA    V   176_A      V   176_A     0.704     0    0.026   0.072     0.988   92.857   91.837
LGA    Y   177_A      Y   177_A     0.902     7    0.036   0.059     1.090   85.952   35.437
LGA    R   178_A      R   178_A     1.380     0    0.032   1.313     9.580   81.429   50.087
LGA    A   179_A      A   179_A     0.620     0    0.045   0.053     0.852   95.238   94.286
LGA    L   180_A      L   180_A     0.578     0    0.040   0.127     0.908   92.857   91.667
LGA    D   181_A      D   181_A     1.178     0    0.040   0.590     2.700   83.690   75.357
LGA    E   182_A      E   182_A     1.342     0    0.036   1.133     6.058   79.286   58.148
LGA    M   183_A      M   183_A     0.864     0    0.111   0.897     2.169   83.810   82.798
LGA    A   184_A      A   184_A     1.464     0    0.023   0.038     2.140   75.119   76.381
LGA    A   185_A      A   185_A     2.219     0    0.173   0.199     3.133   63.095   63.429
LGA    G   186_A      G   186_A     1.745     0    0.038   0.038     3.568   65.476   65.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     931    931  100.00               126
SUMMARY(RMSD_GDC):     1.173          1.157                  1.616           85.437   77.839

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  183  126    4.0    125    1.17    88.889    95.008     9.819

LGA_LOCAL      RMSD:   1.173  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.173  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.173  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.823786 * X  +  -0.311161 * Y  +  -0.473873 * Z  + -28.145872
  Y_new =  -0.419684 * X  +   0.896685 * Y  +   0.140790 * Z  +  58.982952
  Z_new =   0.381107 * X  +   0.314857 * Y  +  -0.869265 * Z  +  39.730415 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.670408 -0.390993  2.794081   [DEG: -153.0031  -22.4023  160.0891 ]
ZXZ: -1.859594  2.624511  0.880303   [DEG: -106.5469  150.3734   50.4377 ]
 
# END of job
