
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:   105      22_A - 126_A       2.10     2.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      22_A - 125_A       1.95     2.10
  LCS_AVERAGE:     98.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      41_A - 88_A        1.00     2.38
  LCS_AVERAGE:     32.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A     38  104  105      3   10   14   49   88   92   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     39  104  105     20   49   78   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     39  104  105     20   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     39  104  105     24   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     39  104  105     24   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     39  104  105     24   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     39  104  105     24   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     39  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     39  104  105     18   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     39  104  105     11   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     48  104  105     20   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     48  104  105     24   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     48  104  105     21   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     48  104  105     20   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     48  104  105      3    4   19   51   61   81   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     48  104  105     19   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     48  104  105     28   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     48  104  105     28   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     48  104  105     24   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     48  104  105     24   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     48  104  105     29   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     48  104  105     24   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     48  104  105     24   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     48  104  105     24   53   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     48  104  105     24   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     48  104  105     25   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     48  104  105     29   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     48  104  105      3   16   45   83   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     48  104  105     22   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     48  104  105     29   44   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     48  104  105     29   48   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     48  104  105     29   48   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     48  104  105     29   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     48  104  105     29   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     48  104  105     29   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     48  104  105     28   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     48  104  105     11   37   63   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     48  104  105     29   48   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     47  104  105      3    7   22   49   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     32  104  105      3    4    7   12   24   54   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      4  104  105      3    4   29   48   78   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  104  105      3    4   20   34   43   83   94  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  104  105      6   18   52   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  104  105      6   35   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  104  105     17   44   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  104  105      7   40   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  104  105      6   40   73   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  104  105      3   29   53   83   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  104  105      3    5   11   27   56   81   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  104  105      3    6   19   50   65   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  104  105      3    6   11   33   55   77   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      4  104  105      3   12   20   48   88   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A      4  104  105      6   16   51   77   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A      4  104  105      3    3    5   19   36   84   94  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A      4  104  105      3    3    5    5    7   11   43   63   97  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A      4  104  105      3   11   18   27   47   63   90  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     17  104  105     17   50   78   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     17  104  105      5   36   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     17  104  105     18   54   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     17  104  105     21   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     17  104  105     20   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     17  104  105     23   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     17  104  105     23   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     17  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     17  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     17  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     17  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     17  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     17  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     17  104  105     20   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     17  104  105     27   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     17  104  105     10   56   79   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     17  104  105      4   21   75   85   89   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     12  104  105      3    4    7   50   88   93   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  104  105      3    4    4    6   62   76   97  102  103  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4    4  105      3    4    4    5    5    6    7    7   61   87   99  102  105  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  76.75  (  32.12   98.14  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     29     56     79     85     89     93     97    102    103    104    104    104    105    105    105    105    105    105    105    105 
GDT PERCENT_AT  27.62  53.33  75.24  80.95  84.76  88.57  92.38  97.14  98.10  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.64   0.92   1.01   1.16   1.35   1.52   1.81   1.86   1.95   1.95   1.95   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10
GDT RMS_ALL_AT   3.01   2.25   2.22   2.19   2.16   2.13   2.13   2.11   2.11   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10

# Checking swapping
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  E   114_A      E   114_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.612     0    0.250   0.867     5.318   54.048   45.000
LGA    K    23_A      K    23_A     1.610     0    0.126   0.780     4.042   72.976   66.349
LGA    V    24_A      V    24_A     1.115     0    0.023   0.059     1.277   81.429   84.014
LGA    H    25_A      H    25_A     1.268     0    0.022   0.047     1.446   81.429   81.429
LGA    I    26_A      I    26_A     1.186     0    0.030   1.469     3.461   81.429   72.381
LGA    I    27_A      I    27_A     1.001     0    0.016   0.061     1.127   83.690   82.560
LGA    K    28_A      K    28_A     1.004     0    0.007   0.123     1.854   88.214   82.540
LGA    C    29_A      C    29_A     0.975     0    0.023   0.028     1.157   85.952   87.460
LGA    H    30_A      H    30_A     1.248     0    0.050   1.137     2.855   79.286   74.810
LGA    F    31_A      F    31_A     1.267     0    0.026   0.038     1.476   81.429   81.429
LGA    D    32_A      D    32_A     1.624     0    0.002   0.394     2.659   72.857   71.964
LGA    K    33_A      K    33_A     1.501     0    0.024   0.750     4.078   79.286   67.778
LGA    C    34_A      C    34_A     1.498     0    0.013   0.021     1.581   75.000   77.143
LGA    N    35_A      N    35_A     1.691     0    0.007   0.125     2.653   75.000   68.929
LGA    K    36_A      K    36_A     1.137     0    0.034   0.885     2.900   81.429   71.640
LGA    S    37_A      S    37_A     1.064     0    0.023   0.070     1.273   85.952   84.444
LGA    Y    38_A      Y    38_A     0.823     0    0.019   0.105     1.812   90.476   84.524
LGA    N    39_A      N    39_A     0.890     0    0.038   0.240     1.335   90.476   89.345
LGA    W    40_A      W    40_A     1.053     0    0.044   0.090     1.206   81.429   85.306
LGA    R    41_A      R    41_A     1.294     0    0.032   1.051     4.759   81.429   67.446
LGA    K    42_A      K    42_A     1.405     0    0.048   0.720     3.471   81.429   75.079
LGA    K    43_A      K    43_A     1.479     0    0.079   0.612     4.031   81.429   72.751
LGA    Y    44_A      Y    44_A     1.466     0    0.623   1.378     3.378   67.262   61.270
LGA    G    45_A      G    45_A     4.443     0    0.662   0.662     4.443   46.786   46.786
LGA    K    46_A      K    46_A     1.112     0    0.244   0.580     3.799   81.786   66.825
LGA    L    47_A      L    47_A     1.010     0    0.039   0.287     1.105   85.952   87.083
LGA    R    48_A      R    48_A     0.692     0    0.016   1.106     5.226   92.857   71.255
LGA    L    49_A      L    49_A     0.385     0    0.013   0.107     0.725   97.619   96.429
LGA    V    50_A      V    50_A     1.107     0    0.018   0.053     1.499   83.690   82.721
LGA    D    51_A      D    51_A     1.087     0    0.017   0.131     1.907   85.952   80.476
LGA    H    52_A      H    52_A     0.197     0    0.027   0.089     1.387  100.000   92.524
LGA    A    53_A      A    53_A     0.688     0    0.014   0.016     1.015   92.857   90.571
LGA    F    54_A      F    54_A     1.004     0    0.030   0.876     4.642   88.214   70.736
LGA    T    55_A      T    55_A     0.590     0    0.023   0.032     1.038   95.238   91.905
LGA    H    56_A      H    56_A     0.403     0    0.063   0.066     1.311  100.000   90.667
LGA    V    57_A      V    57_A     0.532     0    0.166   0.160     1.194   88.333   93.333
LGA    P    58_A      P    58_A     2.373     0    0.655   0.586     4.073   59.881   59.864
LGA    H    59_A      H    59_A     0.875     0    0.077   1.078     7.103   90.476   56.762
LGA    L    60_A      L    60_A     0.696     0    0.038   0.182     1.669   88.214   84.881
LGA    K    61_A      K    61_A     0.550     0    0.038   0.888     2.008   92.857   88.783
LGA    M    62_A      M    62_A     0.830     0    0.067   0.999     3.341   90.476   80.952
LGA    K    63_A      K    63_A     1.112     0    0.021   1.004     6.616   83.690   63.333
LGA    C    64_A      C    64_A     1.341     0    0.018   0.021     1.669   77.143   78.571
LGA    N    65_A      N    65_A     1.743     0    0.081   0.133     2.066   72.857   70.833
LGA    F    66_A      F    66_A     1.616     0    0.059   0.103     1.696   72.857   75.974
LGA    C    67_A      C    67_A     1.649     0    0.036   0.048     1.753   72.857   72.857
LGA    D    68_A      D    68_A     1.667     0    0.024   0.391     2.868   77.143   72.024
LGA    Y    69_A      Y    69_A     1.272     0    0.033   0.070     1.445   81.429   87.500
LGA    M    70_A      M    70_A     1.115     0    0.050   0.168     1.927   81.429   80.357
LGA    C    71_A      C    71_A     0.858     0    0.030   0.060     0.976   90.476   90.476
LGA    K    72_A      K    72_A     0.243     0    0.027   0.677     2.502  100.000   90.265
LGA    G    73_A      G    73_A     0.230     0    0.024   0.024     0.370  100.000  100.000
LGA    I    74_A      I    74_A     0.657     0    0.017   0.098     1.035   90.476   88.214
LGA    R    75_A      R    75_A     0.856     0    0.011   1.286     6.395   90.476   71.255
LGA    N    76_A      N    76_A     0.650     0    0.006   0.058     0.998   92.857   91.667
LGA    I    77_A      I    77_A     0.362     0    0.029   0.074     0.883   97.619   94.048
LGA    R    78_A      R    78_A     0.681     0    0.004   0.179     1.693   90.476   83.203
LGA    L    79_A      L    79_A     0.468     0    0.026   1.386     4.072  100.000   79.345
LGA    H    80_A      H    80_A     0.229     0    0.017   0.052     0.850  100.000   96.190
LGA    H    81_A      H    81_A     0.223     0    0.015   1.354     5.643  100.000   70.619
LGA    K    82_A      K    82_A     0.159     0    0.017   0.577     2.120  100.000   96.085
LGA    K    83_A      K    83_A     0.537     0    0.011   0.283     2.664   92.857   83.968
LGA    S    84_A      S    84_A     0.968     0    0.033   0.047     1.254   85.952   84.444
LGA    H    85_A      H    85_A     0.997     0    0.009   0.088     1.248   90.476   85.048
LGA    P    86_A      P    86_A     1.029     0    0.056   0.086     1.779   79.405   84.150
LGA    D    87_A      D    87_A     2.092     0    0.039   1.152     5.782   68.810   54.464
LGA    E    88_A      E    88_A     1.301     0    0.234   0.281     2.999   81.548   76.032
LGA    Q    89_A      Q    89_A     3.000     0    0.655   1.053     9.954   53.810   32.593
LGA    L    90_A      L    90_A     4.334     0    0.065   1.346    11.301   41.905   23.810
LGA    T    91_A      T    91_A     3.604     0    0.034   0.832     6.477   51.905   39.660
LGA    G    92_A      G    92_A     4.546     0    0.657   0.657     5.007   36.190   36.190
LGA    F    93_A      F    93_A     2.032     0    0.503   1.203     4.268   72.976   57.316
LGA    G    94_A      G    94_A     1.340     0    0.038   0.038     1.536   77.143   77.143
LGA    I    95_A      I    95_A     1.118     0    0.093   1.067     2.653   81.429   75.357
LGA    K    96_A      K    96_A     1.136     0    0.268   0.709     3.566   73.214   73.598
LGA    S    97_A      S    97_A     1.568     0    0.147   0.169     2.104   72.976   72.937
LGA    V    98_A      V    98_A     2.247     0    0.044   0.056     3.211   61.190   61.633
LGA    V    99_A      V    99_A     3.749     0    0.034   0.049     4.563   43.452   39.932
LGA    R   100_A      R   100_A     3.551     0    0.028   0.837     4.346   41.905   58.095
LGA    T   101_A      T   101_A     4.582     0    0.677   0.862     7.010   29.286   26.531
LGA    S   102_A      S   102_A     3.263     0    0.035   0.175     5.007   59.167   50.000
LGA    K   103_A      K   103_A     2.959     0    0.632   0.452     7.308   50.357   37.249
LGA    K   104_A      K   104_A     3.937     4    0.031   0.030     6.253   35.952   19.471
LGA    G   105_A      G   105_A     6.361     0    0.105   0.105     6.361   21.786   21.786
LGA    K   106_A      K   106_A     5.584     0    0.589   1.066    13.579   26.548   13.069
LGA    D   107_A      D   107_A     1.978     0    0.628   1.183     5.180   75.000   56.250
LGA    L   108_A      L   108_A     1.373     0    0.035   1.420     4.861   81.548   63.869
LGA    A   109_A      A   109_A     1.250     0    0.050   0.053     1.571   81.429   79.714
LGA    K   110_A      K   110_A     1.031     0    0.007   1.206     6.210   85.952   62.434
LGA    V   111_A      V   111_A     0.605     0    0.057   0.950     2.043   90.476   84.286
LGA    W   112_A      W   112_A     0.828     0    0.008   0.136     1.918   85.952   80.306
LGA    D   113_A      D   113_A     1.625     0    0.003   0.196     1.853   75.000   73.929
LGA    E   114_A      E   114_A     1.586     0    0.031   0.396     1.851   72.857   76.667
LGA    C   115_A      C   115_A     1.250     0    0.015   0.046     1.452   81.429   82.937
LGA    F   116_A      F   116_A     1.291     0    0.047   0.145     1.507   81.429   80.649
LGA    K   117_A      K   117_A     1.305     0    0.013   0.659     3.400   81.429   74.444
LGA    K   118_A      K   118_A     1.276     0    0.023   0.030     1.917   81.429   77.619
LGA    N   119_A      N   119_A     1.057     0    0.088   0.108     1.243   83.690   82.560
LGA    R   120_A      R   120_A     0.674     6    0.014   0.015     0.807   90.476   41.126
LGA    V   121_A      V   121_A     0.491     0    0.090   1.161     3.437   92.976   84.830
LGA    L   122_A      L   122_A     1.133     0    0.054   0.161     1.992   81.548   80.417
LGA    Q   123_A      Q   123_A     1.622     0    0.641   0.900     4.259   65.595   60.794
LGA    H   124_A      H   124_A     3.341     0    0.641   1.376    10.719   65.357   29.190
LGA    G   125_A      G   125_A     3.591     0    0.224   0.224     7.046   36.071   36.071
LGA    S   126_A      S   126_A     8.391     0    0.543   0.794    10.311    6.905    6.032

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     2.099          2.100                  2.677           77.077   70.662

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    102    1.81    82.857    90.174     5.331

LGA_LOCAL      RMSD:   1.813  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.109  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.099  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.611359 * X  +   0.105984 * Y  +  -0.784225 * Z  +   4.644073
  Y_new =   0.631938 * X  +   0.531119 * Y  +   0.564418 * Z  + -23.305952
  Z_new =   0.476335 * X  +  -0.840643 * Y  +   0.257729 * Z  +  15.226469 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.801949 -0.496482 -1.273309   [DEG:   45.9483  -28.4463  -72.9552 ]
ZXZ: -2.194631  1.310125  2.626070   [DEG: -125.7431   75.0647  150.4627 ]
 
# END of job
