
#######################################################
#                                                     #
#                        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  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , 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:   109       1_A - 109_A       1.35     1.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.35     1.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      47_A - 106_A       1.00     1.39
  LCS_AVERAGE:     48.92

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     G     1_A     G     1_A     41  109  109     25   80   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     43  109  109     38   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     45  109  109      9   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     45  109  109     50   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     45  109  109      9   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     45  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     45  109  109      6   79   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     45  109  109     14   76   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     45  109  109     14   45   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     45  109  109      3   47   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     45  109  109      7   38   90  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     45  109  109      8   28   79   98  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     45  109  109      9   66   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     45  109  109      8   45   90  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     45  109  109      8   15   54   78  101  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     45  109  109      8   15   81   98  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     45  109  109     49   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     45  109  109     14   70   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     45  109  109      9   74   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     60  109  109     50   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     60  109  109      8   24   88  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     60  109  109      8   27   65   93  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     60  109  109     14   46   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     60  109  109      3    4    9   54   88   96  104  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     60  109  109      4   47   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     60  109  109     43   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     60  109  109     51   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     60  109  109     51   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     60  109  109     54   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     60  109  109     54   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     60  109  109     16   79   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     60  109  109     51   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     60  109  109     55   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     60  109  109     52   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     60  109  109     52   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     60  109  109     63   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     60  109  109     52   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     60  109  109     52   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     60  109  109     57   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     60  109  109     31   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     60  109  109     27   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     60  109  109     25   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     60  109  109     33   83   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     60  109  109     27   80   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     60  109  109     20   69   91   99  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     59  109  109     27   80   91  101  104  106  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      4   24   73   93   99  103  106  108  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     30  109  109      3    3    6   11   17   19   91  103  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  82.97  (  48.92  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     63     83     91    101    104    106    106    108    108    109    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  57.80  76.15  83.49  92.66  95.41  97.25  97.25  99.08  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.48   0.65   0.90   0.98   1.07   1.07   1.21   1.21   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35
GDT RMS_ALL_AT   1.44   1.40   1.39   1.36   1.36   1.38   1.38   1.36   1.36   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35   1.35

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   103_A      E   103_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.655     0    0.039   0.039     1.667   77.143   77.143
LGA    P     2_A      P     2_A     1.101     0    0.019   0.147     1.713   85.952   81.565
LGA    I     3_A      I     3_A     0.536     0    0.074   0.922     2.789   92.857   82.083
LGA    I     4_A      I     4_A     0.602     0    0.058   0.879     2.451   90.476   83.929
LGA    E     5_A      E     5_A     0.616     0    0.014   0.961     5.122   95.238   74.286
LGA    N     6_A      N     6_A     0.288     0    0.016   0.074     0.625  100.000   98.810
LGA    C     7_A      C     7_A     0.292     0    0.023   0.051     0.324  100.000  100.000
LGA    A     8_A      A     8_A     0.374     0    0.064   0.076     0.385  100.000  100.000
LGA    A     9_A      A     9_A     0.241     0    0.043   0.041     0.506   97.619   98.095
LGA    F    10_A      F    10_A     0.197     0    0.017   0.043     0.481  100.000  100.000
LGA    I    11_A      I    11_A     0.171     0    0.011   0.076     0.464  100.000  100.000
LGA    E    12_A      E    12_A     0.466     0    0.012   0.035     0.673   95.238   92.593
LGA    K    13_A      K    13_A     0.705     0    0.109   1.311     6.542   88.214   67.884
LGA    T    14_A      T    14_A     1.011     0    0.089   0.998     2.622   88.214   80.612
LGA    M    15_A      M    15_A     0.676     0    0.057   0.287     0.745   90.476   90.476
LGA    S    16_A      S    16_A     1.176     0    0.070   0.136     1.869   85.952   81.587
LGA    K    17_A      K    17_A     0.574     0    0.012   0.984     3.621   92.857   86.614
LGA    Y    18_A      Y    18_A     0.493     0    0.036   0.067     0.702   95.238   95.238
LGA    A    19_A      A    19_A     0.437     0    0.039   0.045     0.539  100.000   98.095
LGA    I    20_A      I    20_A     0.539     0    0.023   0.028     0.833   90.476   90.476
LGA    T    21_A      T    21_A     0.562     0    0.018   0.047     0.781   90.476   90.476
LGA    L    22_A      L    22_A     0.628     0    0.034   0.079     0.991   90.476   90.476
LGA    S    23_A      S    23_A     0.547     0    0.040   0.078     0.904   90.476   90.476
LGA    D    24_A      D    24_A     0.678     0    0.109   0.169     1.481   90.476   88.214
LGA    G    25_A      G    25_A     0.587     0    0.030   0.030     0.673   90.476   90.476
LGA    T    26_A      T    26_A     0.699     0    0.014   0.054     0.954   90.476   90.476
LGA    I    27_A      I    27_A     0.719     0    0.023   0.096     0.986   90.476   90.476
LGA    L    28_A      L    28_A     0.717     0    0.008   0.066     0.773   90.476   90.476
LGA    K    29_A      K    29_A     0.603     0    0.035   0.426     2.251   90.476   85.661
LGA    S    30_A      S    30_A     0.892     0    0.028   0.051     1.085   88.214   88.968
LGA    T    31_A      T    31_A     0.928     0    0.086   0.114     1.111   90.476   89.184
LGA    I    32_A      I    32_A     0.667     0    0.051   0.097     0.994   90.476   92.857
LGA    K    33_A      K    33_A     0.930     0    0.088   0.708     5.815   92.857   71.799
LGA    N    34_A      N    34_A     1.199     0    0.053   0.248     2.836   81.548   73.214
LGA    E    35_A      E    35_A     1.353     0    0.015   0.822     3.265   77.381   72.487
LGA    T    36_A      T    36_A     1.567     0    0.056   0.076     1.938   75.000   74.082
LGA    L    37_A      L    37_A     1.691     0    0.048   1.384     3.075   72.976   71.190
LGA    K    38_A      K    38_A     2.245     0    0.034   0.801     7.621   64.881   44.603
LGA    K    39_A      K    39_A     2.631     0    0.115   0.201     3.101   57.262   57.196
LGA    T    40_A      T    40_A     1.717     0    0.105   1.140     2.384   72.857   71.769
LGA    F    41_A      F    41_A     2.136     0    0.062   1.056     5.375   64.881   49.394
LGA    P    42_A      P    42_A     3.720     0    0.012   0.281     5.478   48.333   42.041
LGA    I    43_A      I    43_A     2.729     0    0.023   0.068     4.233   65.000   55.060
LGA    L    44_A      L    44_A     0.563     0    0.028   0.434     2.201   90.595   87.381
LGA    K    45_A      K    45_A     1.967     0    0.015   0.793     3.481   75.000   64.339
LGA    N    46_A      N    46_A     2.064     0    0.018   0.878     6.133   73.095   53.036
LGA    L    47_A      L    47_A     0.753     0    0.019   0.087     3.091   88.214   74.702
LGA    L    48_A      L    48_A     2.009     0    0.068   0.100     3.192   67.024   63.095
LGA    K    49_A      K    49_A     2.949     0    0.045   0.815     7.525   55.595   40.159
LGA    D    50_A      D    50_A     1.799     0    0.059   0.334     5.656   75.119   54.583
LGA    Q    51_A      Q    51_A     4.647     0    0.322   0.800    11.282   39.524   19.894
LGA    I    52_A      I    52_A     1.915     0    0.131   1.139     2.884   75.119   70.000
LGA    P    53_A      P    53_A     0.704     0    0.042   0.072     1.344   90.595   87.959
LGA    T    54_A      T    54_A     0.204     0    0.011   0.050     0.469  100.000  100.000
LGA    G    55_A      G    55_A     0.810     0    0.055   0.055     0.908   90.476   90.476
LGA    S    56_A      S    56_A     0.771     0    0.032   0.719     2.870   92.857   86.508
LGA    S    57_A      S    57_A     0.600     0    0.047   0.066     0.824   90.476   90.476
LGA    F    58_A      F    58_A     0.470     0    0.036   0.114     0.852  100.000   93.939
LGA    F    59_A      F    59_A     0.538     0    0.072   0.098     0.714   95.238   92.208
LGA    K    60_A      K    60_A     0.526     0    0.035   0.682     3.255   92.857   87.037
LGA    L    61_A      L    61_A     0.324     0    0.025   0.185     1.062   95.238   91.726
LGA    P    62_A      P    62_A     0.355     0    0.083   0.090     0.442  100.000  100.000
LGA    V    63_A      V    63_A     0.143     0    0.045   0.076     0.529  100.000   98.639
LGA    V    64_A      V    64_A     0.289     0    0.024   0.133     0.569  100.000   98.639
LGA    F    65_A      F    65_A     0.267     0    0.019   0.226     1.084  100.000   95.758
LGA    F    66_A      F    66_A     0.410     0    0.044   0.078     0.569  100.000   96.537
LGA    R    67_A      R    67_A     0.276     0    0.021   0.488     2.733  100.000   90.303
LGA    V    68_A      V    68_A     0.395     0    0.064   1.211     2.738  100.000   88.639
LGA    T    69_A      T    69_A     0.432     0    0.030   0.078     0.467  100.000  100.000
LGA    D    70_A      D    70_A     0.812     0    0.097   0.154     1.479   88.214   88.214
LGA    N    71_A      N    71_A     0.781     0    0.166   1.181     4.622   90.476   76.667
LGA    V    72_A      V    72_A     0.588     0    0.026   0.029     0.662   95.238   93.197
LGA    I    73_A      I    73_A     0.482     0    0.019   0.657     1.939  100.000   95.417
LGA    V    74_A      V    74_A     0.433     0    0.014   0.071     0.808  100.000   97.279
LGA    I    75_A      I    75_A     0.317     0    0.017   0.072     0.344  100.000  100.000
LGA    L    76_A      L    76_A     0.359     0    0.028   0.058     0.425  100.000  100.000
LGA    L    77_A      L    77_A     0.185     0    0.109   0.092     0.615   97.619   98.810
LGA    T    78_A      T    78_A     0.539     0    0.006   0.050     0.976   92.857   94.558
LGA    N    79_A      N    79_A     1.484     0    0.046   1.176     6.043   81.429   60.536
LGA    E    80_A      E    80_A     0.674     0    0.026   0.548     2.556   90.476   80.159
LGA    K    81_A      K    81_A     0.785     0    0.045   0.962     6.333   92.857   72.910
LGA    E    82_A      E    82_A     0.479     0    0.032   0.205     0.621   97.619   97.884
LGA    N    83_A      N    83_A     0.563     0    0.018   0.417     1.698   95.238   90.655
LGA    I    84_A      I    84_A     0.219     0    0.040   0.677     3.336  100.000   91.369
LGA    I    85_A      I    85_A     0.250     0    0.011   0.027     0.373  100.000  100.000
LGA    L    86_A      L    86_A     0.518     0    0.070   0.085     0.703   92.857   95.238
LGA    S    87_A      S    87_A     0.582     0    0.012   0.044     0.709   90.476   90.476
LGA    M    88_A      M    88_A     0.552     0    0.016   0.106     0.652   90.476   92.857
LGA    F    89_A      F    89_A     0.573     0    0.024   0.073     0.769   92.857   91.342
LGA    E    90_A      E    90_A     0.655     0    0.030   0.543     2.971   90.476   83.810
LGA    L    91_A      L    91_A     0.533     0    0.026   1.412     3.495   95.238   81.607
LGA    F    92_A      F    92_A     0.335     0    0.015   0.068     0.436  100.000  100.000
LGA    S    93_A      S    93_A     0.266     0    0.041   0.066     0.467  100.000  100.000
LGA    T    94_A      T    94_A     0.261     0    0.042   0.094     0.366  100.000  100.000
LGA    Q    95_A      Q    95_A     0.314     0    0.030   0.920     3.725  100.000   86.772
LGA    F    96_A      F    96_A     0.187     0    0.046   0.074     0.244  100.000  100.000
LGA    A    97_A      A    97_A     0.259     0    0.034   0.039     0.500  100.000  100.000
LGA    E    98_A      E    98_A     0.590     0    0.039   0.737     3.500   92.857   80.317
LGA    K    99_A      K    99_A     0.673     0    0.037   0.280     1.228   90.476   89.471
LGA    L   100_A      L   100_A     0.422     0    0.026   0.036     0.718   95.238   97.619
LGA    A   101_A      A   101_A     1.018     0    0.016   0.028     1.348   83.690   83.238
LGA    L   102_A      L   102_A     1.302     0    0.039   0.061     1.601   79.286   80.357
LGA    E   103_A      E   103_A     1.150     0    0.013   0.752     1.873   81.429   81.481
LGA    Y   104_A      Y   104_A     1.045     0    0.037   0.057     1.185   81.429   87.460
LGA    P   105_A      P   105_A     1.612     0    0.012   0.041     1.870   75.000   74.082
LGA    R   106_A      R   106_A     2.017     0    0.114   1.204     9.825   64.881   41.126
LGA    T   107_A      T   107_A     1.903     0    0.002   0.077     2.440   68.810   73.061
LGA    Y   108_A      Y   108_A     3.604     0    0.482   1.269    10.244   45.119   25.833
LGA    E   109_A      E   109_A     6.472     0    0.658   1.136    13.138   12.857    6.561

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     1.350          1.356                  2.173           87.659   82.908

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    108    1.21    91.972    95.650     8.234

LGA_LOCAL      RMSD:   1.212  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.356  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.350  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.696261 * X  +   0.257530 * Y  +  -0.669999 * Z  +  12.001138
  Y_new =   0.503457 * X  +   0.490098 * Y  +   0.711572 * Z  +   8.148394
  Z_new =   0.511617 * X  +  -0.832756 * Y  +   0.211581 * Z  +  14.001450 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.626052 -0.537065 -1.321987   [DEG:   35.8702  -30.7716  -75.7443 ]
ZXZ: -2.386277  1.357604  2.590677   [DEG: -136.7236   77.7850  148.4349 ]
 
# END of job
