
#######################################################
#                                                     #
#                        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  108 (  861),  selected  108 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108      22_B - 129_B       1.68     1.68
  LCS_AVERAGE:     91.53

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108      22_B - 129_B       1.68     1.68
  LCS_AVERAGE:     91.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98      32_B - 129_B       0.97     1.69
  LCS_AVERAGE:     75.75

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     A    22_B     A    22_B      3  108  108      3    3    3    4    4   39   45   53   59  106  106  106  106  107  108  108  108  108  108  108 
LCS_GDT     S    23_B     S    23_B      3  108  108      3    3    3    4    4   25   34   56  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     M    24_B     M    24_B      6  108  108      6   39   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Y    25_B     Y    25_B      6  108  108      4   75   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     A    26_B     A    26_B      6  108  108      4   33   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K    27_B     K    27_B      6  108  108     30   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     H    28_B     H    28_B      6  108  108      7   63   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     S    29_B     S    29_B      6  108  108      4   17   90  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     A    30_B     A    30_B      4  108  108      4    4    4    6   13   22   42   48   64  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Q    31_B     Q    31_B      4  108  108      4    4   30   42   50   96  103  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     N    32_B     N    32_B     98  108  108     23   73   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Y    33_B     Y    33_B     98  108  108     21   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Q    34_B     Q    34_B     98  108  108     27   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     P    35_B     P    35_B     98  108  108     17   59   93  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    36_B     L    36_B     98  108  108      9   47   90  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    37_B     L    37_B     98  108  108      5    6   17   58  100  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     P    38_B     P    38_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     G    39_B     G    39_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I    40_B     I    40_B     98  108  108     23   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K    41_B     K    41_B     98  108  108     32   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I    42_B     I    42_B     98  108  108     23   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K    43_B     K    43_B     98  108  108     27   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     T    44_B     T    44_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    45_B     L    45_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     V    46_B     V    46_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Y    47_B     Y    47_B     98  108  108     37   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     G    48_B     G    48_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E    49_B     E    49_B     98  108  108      4   34   89  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    50_B     L    50_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     T    51_B     T    51_B     98  108  108     27   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    52_B     L    52_B     98  108  108     27   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     M    53_B     M    53_B     98  108  108     36   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     T    54_B     T    54_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E    55_B     E    55_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     F    56_B     F    56_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     V    57_B     V    57_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     M    58_B     M    58_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     D    59_B     D    59_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K    60_B     K    60_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     G    61_B     G    61_B     98  108  108      5   37   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     S    62_B     S    62_B     98  108  108      5   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     S    63_B     S    63_B     98  108  108     27   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    64_B     L    64_B     98  108  108     15   70   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     P    65_B     P    65_B     98  108  108     15   50   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     D    66_B     D    66_B     98  108  108      3   58   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     H    67_B     H    67_B     98  108  108      8   68   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     T    68_B     T    68_B     98  108  108      8   63   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     H    69_B     H    69_B     98  108  108      8   60   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     P    70_B     P    70_B     98  108  108     11   72   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Y    71_B     Y    71_B     98  108  108     10   67   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E    72_B     E    72_B     98  108  108     22   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Q    73_B     Q    73_B     98  108  108     22   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     T    74_B     T    74_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     G    75_B     G    75_B     98  108  108     23   75   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Y    76_B     Y    76_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    77_B     L    77_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     V    78_B     V    78_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     S    79_B     S    79_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     G    80_B     G    80_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K    81_B     K    81_B     98  108  108      9   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I    82_B     I    82_B     98  108  108     30   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I    83_B     I    83_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L    84_B     L    84_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Y    85_B     Y    85_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I    86_B     I    86_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E    87_B     E    87_B     98  108  108     37   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     D    88_B     D    88_B     98  108  108      6   65   96  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K    89_B     K    89_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K    90_B     K    90_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Q    91_B     Q    91_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Q    92_B     Q    92_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I    93_B     I    93_B     98  108  108     15   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     M    94_B     M    94_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     A    95_B     A    95_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     G    96_B     G    96_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     D    97_B     D    97_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     S    98_B     S    98_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     W    99_B     W    99_B     98  108  108     18   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     C   100_B     C   100_B     98  108  108      8   75   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I   101_B     I   101_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     P   102_B     P   102_B     98  108  108     38   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     K   103_B     K   103_B     98  108  108      5   71   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     N   104_B     N   104_B     98  108  108      5   63   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     V   105_B     V   105_B     98  108  108     21   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     H   106_B     H   106_B     98  108  108     31   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     H   107_B     H   107_B     98  108  108     15   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     H   108_B     H   108_B     98  108  108     15   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     A   109_B     A   109_B     98  108  108     15   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E   110_B     E   110_B     98  108  108     15   73   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I   111_B     I   111_B     98  108  108     16   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     L   112_B     L   112_B     98  108  108     31   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E   113_B     E   113_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     N   114_B     N   114_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     S   115_B     S   115_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     V   116_B     V   116_B     98  108  108     25   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     A   117_B     A   117_B     98  108  108     16   67   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     V   118_B     V   118_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E   119_B     E   119_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     V   120_B     V   120_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     F   121_B     F   121_B     98  108  108     27   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     A   122_B     A   122_B     98  108  108     27   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     P   123_B     P   123_B     98  108  108     29   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     T   124_B     T   124_B     98  108  108      7   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     R   125_B     R   125_B     98  108  108     31   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E   126_B     E   126_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     E   127_B     E   127_B     98  108  108     39   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     Y   128_B     Y   128_B     98  108  108      9   76   97  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_GDT     I   129_B     I   129_B     98  108  108      4   20   66  103  103  104  104  105  105  106  106  106  107  107  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  86.27  (  75.75   91.53   91.53 )

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     39     76     97    103    103    104    104    105    105    106    106    106    107    107    108    108    108    108    108    108 
GDT PERCENT_AT  33.05  64.41  82.20  87.29  87.29  88.14  88.14  88.98  88.98  89.83  89.83  89.83  90.68  90.68  91.53  91.53  91.53  91.53  91.53  91.53
GDT RMS_LOCAL    0.34   0.63   0.82   0.93   0.93   1.00   1.00   1.12   1.12   1.31   1.31   1.29   1.45   1.45   1.68   1.68   1.68   1.68   1.68   1.68
GDT RMS_ALL_AT   1.73   1.69   1.70   1.69   1.69   1.69   1.69   1.70   1.70   1.71   1.71   1.69   1.69   1.69   1.68   1.68   1.68   1.68   1.68   1.68

# Checking swapping
#   possible swapping detected:  Y    25_B      Y    25_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    47_B      Y    47_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  F   121_B      F   121_B
#   possible swapping detected:  E   127_B      E   127_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    22_B      A    22_B     9.122     0    0.584   0.563    11.153    2.262    1.810
LGA    S    23_B      S    23_B     6.639     0    0.555   0.726     8.036   22.976   17.302
LGA    M    24_B      M    24_B     1.454     0    0.620   0.936     8.891   71.071   45.833
LGA    Y    25_B      Y    25_B     1.433     0    0.149   0.232     2.332   79.286   73.016
LGA    A    26_B      A    26_B     1.197     0    0.092   0.110     1.505   83.690   81.524
LGA    K    27_B      K    27_B     1.000     0    0.154   1.170     6.030   83.690   64.444
LGA    H    28_B      H    28_B     1.610     0    0.603   1.211     4.264   71.429   61.905
LGA    S    29_B      S    29_B     1.817     0    0.662   0.851     5.680   54.762   47.937
LGA    A    30_B      A    30_B     7.100     0    0.043   0.043     9.313   13.214   10.857
LGA    Q    31_B      Q    31_B     5.260     0    0.215   1.426    11.516   47.738   23.228
LGA    N    32_B      N    32_B     1.315     0    0.579   0.737     2.747   75.357   72.143
LGA    Y    33_B      Y    33_B     1.026     0    0.094   0.105     3.347   79.524   69.921
LGA    Q    34_B      Q    34_B     0.650     0    0.075   0.788     3.266   90.476   76.561
LGA    P    35_B      P    35_B     1.687     0    0.073   0.227     2.284   72.976   72.993
LGA    L    36_B      L    36_B     2.028     0    0.227   1.359     3.837   64.881   60.357
LGA    L    37_B      L    37_B     3.770     0    0.039   0.076     9.259   64.167   36.786
LGA    P    38_B      P    38_B     0.560     0    0.407   0.370     2.002   90.833   84.422
LGA    G    39_B      G    39_B     0.578     0    0.077   0.077     0.653   92.857   92.857
LGA    I    40_B      I    40_B     0.840     0    0.092   0.626     1.841   88.214   86.012
LGA    K    41_B      K    41_B     0.482     0    0.053   0.979     4.048   95.238   82.169
LGA    I    42_B      I    42_B     0.874     0    0.019   1.184     2.718   90.476   77.976
LGA    K    43_B      K    43_B     0.714     0    0.056   0.692     2.225   95.238   81.164
LGA    T    44_B      T    44_B     0.534     0    0.035   0.134     1.228   97.619   91.973
LGA    L    45_B      L    45_B     0.477     0    0.018   0.163     1.003   97.619   94.107
LGA    V    46_B      V    46_B     0.407     0    0.009   0.077     1.033  100.000   94.626
LGA    Y    47_B      Y    47_B     0.305     0    0.044   0.132     0.635  100.000   96.825
LGA    G    48_B      G    48_B     0.530     0    0.125   0.125     1.208   90.595   90.595
LGA    E    49_B      E    49_B     2.083     0    0.029   0.505     5.985   68.810   53.810
LGA    L    50_B      L    50_B     0.445     0    0.094   0.149     1.727   92.976   87.262
LGA    T    51_B      T    51_B     0.696     0    0.120   1.085     3.027   92.857   83.469
LGA    L    52_B      L    52_B     0.782     0    0.069   0.640     2.189   88.214   86.131
LGA    M    53_B      M    53_B     0.399     0    0.048   0.973     2.117  100.000   88.869
LGA    T    54_B      T    54_B     0.111     0    0.104   0.150     0.948   97.619   97.279
LGA    E    55_B      E    55_B     0.353     0    0.032   0.599     2.168   97.619   88.783
LGA    F    56_B      F    56_B     0.536     0    0.026   0.678     2.476   95.238   81.169
LGA    V    57_B      V    57_B     0.610     0    0.067   0.109     0.900   90.476   90.476
LGA    M    58_B      M    58_B     0.650     0    0.035   0.933     3.689   90.476   81.250
LGA    D    59_B      D    59_B     0.603     0    0.062   0.462     1.780   92.857   86.131
LGA    K    60_B      K    60_B     0.453     0    0.019   0.122     1.458   92.857   88.519
LGA    G    61_B      G    61_B     1.325     0    0.069   0.069     1.437   83.690   83.690
LGA    S    62_B      S    62_B     1.047     0    0.139   0.606     1.801   81.548   80.079
LGA    S    63_B      S    63_B     0.667     0    0.098   0.605     2.544   90.476   84.921
LGA    L    64_B      L    64_B     1.222     0    0.067   0.747     2.690   83.690   78.452
LGA    P    65_B      P    65_B     1.389     0    0.090   0.113     1.668   81.429   77.755
LGA    D    66_B      D    66_B     1.485     0    0.043   0.544     2.427   79.286   76.131
LGA    H    67_B      H    67_B     1.420     0    0.071   1.074     3.194   81.429   75.143
LGA    T    68_B      T    68_B     1.514     0    0.020   1.091     3.973   77.143   71.088
LGA    H    69_B      H    69_B     1.529     0    0.033   1.156     2.802   77.143   74.952
LGA    P    70_B      P    70_B     1.222     0    0.239   0.222     2.434   75.119   80.408
LGA    Y    71_B      Y    71_B     1.430     0    0.196   0.686     2.842   75.119   68.294
LGA    E    72_B      E    72_B     0.823     0    0.053   0.639     2.640   90.476   79.101
LGA    Q    73_B      Q    73_B     0.813     0    0.094   0.362     1.526   88.214   87.513
LGA    T    74_B      T    74_B     0.375     0    0.033   1.037     3.116   97.619   86.258
LGA    G    75_B      G    75_B     1.106     0    0.156   0.156     1.640   81.548   81.548
LGA    Y    76_B      Y    76_B     0.581     0    0.026   1.327     8.303   90.476   57.659
LGA    L    77_B      L    77_B     0.645     0    0.034   0.854     3.094   90.476   84.286
LGA    V    78_B      V    78_B     0.726     0    0.077   0.141     0.913   90.476   90.476
LGA    S    79_B      S    79_B     0.633     0    0.070   0.546     1.137   95.238   92.143
LGA    G    80_B      G    80_B     0.279     0    0.035   0.035     0.941   95.238   95.238
LGA    K    81_B      K    81_B     0.904     0    0.140   0.679     1.451   90.476   86.455
LGA    I    82_B      I    82_B     0.606     0    0.085   1.184     3.105   92.857   82.202
LGA    I    83_B      I    83_B     0.312     0    0.048   0.652     2.205  100.000   95.595
LGA    L    84_B      L    84_B     0.425     0    0.066   1.345     3.274   97.619   81.905
LGA    Y    85_B      Y    85_B     0.325     0    0.033   0.125     1.269   97.619   91.389
LGA    I    86_B      I    86_B     0.247     0    0.006   0.120     0.485  100.000  100.000
LGA    E    87_B      E    87_B     0.486     0    0.611   1.088     3.368   86.905   75.026
LGA    D    88_B      D    88_B     1.423     0    0.070   1.099     5.849   83.810   61.607
LGA    K    89_B      K    89_B     0.517     0    0.132   0.973     4.765   92.857   75.132
LGA    K    90_B      K    90_B     0.482     0    0.066   0.569     3.189   95.238   81.429
LGA    Q    91_B      Q    91_B     0.501     0    0.014   1.065     2.675   97.619   87.989
LGA    Q    92_B      Q    92_B     0.314     0    0.010   0.485     1.301   97.619   95.820
LGA    I    93_B      I    93_B     0.743     0    0.063   0.133     1.632   90.476   83.810
LGA    M    94_B      M    94_B     0.210     0    0.035   1.035     3.469  100.000   91.369
LGA    A    95_B      A    95_B     0.479     0    0.015   0.014     0.741  100.000   98.095
LGA    G    96_B      G    96_B     0.184     0    0.050   0.050     0.245  100.000  100.000
LGA    D    97_B      D    97_B     0.166     0    0.059   0.328     1.391  100.000   94.167
LGA    S    98_B      S    98_B     0.746     0    0.012   0.020     1.016   95.238   92.143
LGA    W    99_B      W    99_B     0.817     0    0.030   0.097     2.042   85.952   79.150
LGA    C   100_B      C   100_B     1.025     0    0.073   0.805     2.918   81.548   77.460
LGA    I   101_B      I   101_B     0.584     0    0.015   0.470     1.084   95.238   91.726
LGA    P   102_B      P   102_B     0.379     0    0.019   0.339     1.144   92.976   94.626
LGA    K   103_B      K   103_B     1.283     0    0.062   1.338     6.197   83.690   67.831
LGA    N   104_B      N   104_B     1.618     0    0.074   0.448     2.684   79.286   72.083
LGA    V   105_B      V   105_B     0.902     0    0.037   0.049     1.235   88.214   87.891
LGA    H   106_B      H   106_B     0.559     0    0.033   0.292     1.588   95.238   91.619
LGA    H   107_B      H   107_B     0.841     0    0.020   0.137     1.107   90.476   88.667
LGA    H   108_B      H   108_B     0.896     0    0.033   1.142     2.508   90.476   80.143
LGA    A   109_B      A   109_B     1.069     0    0.021   0.022     1.136   81.429   81.429
LGA    E   110_B      E   110_B     1.222     0    0.017   0.714     2.136   85.952   80.635
LGA    I   111_B      I   111_B     0.852     0    0.065   0.174     2.243   90.476   81.726
LGA    L   112_B      L   112_B     0.498     0    0.089   0.123     0.910   95.238   92.857
LGA    E   113_B      E   113_B     0.351     0    0.045   1.032     4.062  100.000   77.831
LGA    N   114_B      N   114_B     0.397     0    0.110   1.089     3.604   97.619   79.048
LGA    S   115_B      S   115_B     0.225     0    0.076   0.151     0.519  100.000   98.413
LGA    V   116_B      V   116_B     0.829     0    0.047   0.057     1.177   85.952   86.599
LGA    A   117_B      A   117_B     1.318     0    0.038   0.048     1.467   85.952   85.048
LGA    V   118_B      V   118_B     0.671     0    0.068   0.110     1.089   90.476   89.184
LGA    E   119_B      E   119_B     0.689     0    0.023   0.503     1.343   95.238   90.582
LGA    V   120_B      V   120_B     0.500     0    0.039   0.074     1.074   95.238   91.905
LGA    F   121_B      F   121_B     0.816     0    0.042   0.060     0.960   90.476   90.476
LGA    A   122_B      A   122_B     0.722     0    0.015   0.022     0.908   90.476   90.476
LGA    P   123_B      P   123_B     0.768     0    0.058   0.085     1.013   90.476   89.184
LGA    T   124_B      T   124_B     0.958     0    0.156   1.106     3.932   88.214   78.639
LGA    R   125_B      R   125_B     0.820     0    0.025   1.501     4.397   90.476   75.281
LGA    E   126_B      E   126_B     0.554     0    0.030   0.265     1.137   90.595   92.698
LGA    E   127_B      E   127_B     0.742     0    0.131   0.881     3.413   88.214   73.069
LGA    Y   128_B      Y   128_B     1.023     0    0.024   0.116     1.917   79.405   81.548
LGA    I   129_B      I   129_B     2.224     0    0.598   0.650     5.043   53.452   68.571

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     861    861  100.00               118
SUMMARY(RMSD_GDC):     1.681          1.693                  2.199           78.719   72.781

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  108  118    4.0    105    1.12    83.051    87.206     8.579

LGA_LOCAL      RMSD:   1.124  Number of atoms:  105  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.695  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   1.681  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.146214 * X  +  -0.409551 * Y  +  -0.900494 * Z  + -27.028959
  Y_new =  -0.805568 * X  +  -0.577633 * Y  +   0.131911 * Z  +  23.697475
  Z_new =  -0.574179 * X  +   0.706122 * Y  +  -0.414379 * Z  + -24.255669 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.391247  0.611602  2.101482   [DEG:  -79.7126   35.0422  120.4060 ]
ZXZ: -1.716249  1.998057 -0.682705   [DEG:  -98.3339  114.4802  -39.1161 ]
 
# END of job
