
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:   106      12_A - 117_A       2.16     2.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      12_A - 116_A       1.98     2.17
  LCS_AVERAGE:     98.17

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      15_A - 98_A        0.98     2.25
  LCS_AVERAGE:     66.76

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A     46  105  106     16   73   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     D    13_A     D    13_A     46  105  106      5   73   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     P    14_A     P    14_A     46  105  106      3   10   62   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     G    15_A     G    15_A     84  105  106     47   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    16_A     I    16_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     N    17_A     N    17_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     R    18_A     R    18_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    19_A     K    19_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     A    20_A     A    20_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    21_A     I    21_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     N    22_A     N    22_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     F    23_A     F    23_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     D    24_A     D    24_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L    25_A     L    25_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     S    26_A     S    26_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     T    27_A     T    27_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    28_A     K    28_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     S    29_A     S    29_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L    30_A     L    30_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    31_A     E    31_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    32_A     K    32_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     F    34_A     F    34_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    35_A     K    35_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     D    36_A     D    36_A     84  105  106     52   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     T    37_A     T    37_A     84  105  106     51   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     R    38_A     R    38_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    39_A     E    39_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     P    40_A     P    40_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     S    42_A     S    42_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L    43_A     L    43_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    44_A     I    44_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    45_A     K    45_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    46_A     K    46_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     F    47_A     F    47_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     M    48_A     M    48_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L    49_A     L    49_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    50_A     E    50_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     N    51_A     N    51_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     G    52_A     G    52_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     F    53_A     F    53_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    54_A     E    54_A     84  105  106     32   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     H    55_A     H    55_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     R    56_A     R    56_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     84  105  106      3   12   13   44   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Y    58_A     Y    58_A     84  105  106      3    3    8   11   19   27   97  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     S    59_A     S    59_A     84  105  106      3    3   13   13   41   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     G    60_A     G    60_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Y    61_A     Y    61_A     84  105  106     52   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     T    62_A     T    62_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     S    63_A     S    63_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    64_A     K    64_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    65_A     E    65_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     P    66_A     P    66_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    67_A     I    67_A     84  105  106     48   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     N    68_A     N    68_A     84  105  106     42   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    69_A     E    69_A     84  105  106     41   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     R    70_A     R    70_A     84  105  106     51   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     R    71_A     R    71_A     84  105  106     52   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     V    72_A     V    72_A     84  105  106     43   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    73_A     I    73_A     84  105  106     50   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     R    74_A     R    74_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    75_A     I    75_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    76_A     I    76_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     N    77_A     N    77_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    78_A     K    78_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L    79_A     L    79_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     T    80_A     T    80_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    81_A     K    81_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    82_A     K    82_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     F    83_A     F    83_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     T    84_A     T    84_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     W    85_A     W    85_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L    86_A     L    86_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     G    87_A     G    87_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    88_A     E    88_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     C    89_A     C    89_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     V    90_A     V    90_A     84  105  106     49   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K    91_A     K    91_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    92_A     E    92_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     F    93_A     F    93_A     84  105  106     53   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     D    94_A     D    94_A     84  105  106     40   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    95_A     I    95_A     84  105  106     37   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     T    96_A     T    96_A     84  105  106     40   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E    97_A     E    97_A     84  105  106     35   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I    98_A     I    98_A     84  105  106     35   81   83   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     G    99_A     G    99_A     42  105  106      7   35   81   84   87   96  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E   100_A     E   100_A     42  105  106      3    4   63   83   87   92  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     42  105  106      3   11   50   85   87   96  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     13  105  106      6   12   13   17   55   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     S   103_A     S   103_A     13  105  106      8   12   13   17   55   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L   104_A     L   104_A     13  105  106      9   12   17   30   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K   105_A     K   105_A     13  105  106      9   12   13   41   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     E   106_A     E   106_A     13  105  106      9   12   13   30   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     T   107_A     T   107_A     13  105  106      9   12   17   81   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     I   108_A     I   108_A     13  105  106      9   12   31   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     Q   109_A     Q   109_A     13  105  106      9   12   17   81   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     D   110_A     D   110_A     13  105  106      9   12   17   81   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     L   111_A     L   111_A     13  105  106      9   12   67   85   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     C   112_A     C   112_A     13  105  106      9   12   13   81   94   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     A   113_A     A   113_A     13  105  106      4   11   13   15   90   98  101  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     K   114_A     K   114_A     13  105  106      3    4    4   14   18   36   97  102  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     D   115_A     D   115_A      4  105  106      3    4    4    5   10   20   34   52  103  104  104  104  104  106  106  106  106  106  106  106 
LCS_GDT     F   116_A     F   116_A      4  105  106      3    4    4    5    5    6    7    8   12   13   29   35   64  106  106  106  106  106  106  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    5    5    6    7    8   12   26   40  103  104  106  106  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  88.31  (  66.76   98.17  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     53     81     83     85     94     98    101    102    103    104    104    104    104    106    106    106    106    106    106    106 
GDT PERCENT_AT  50.00  76.42  78.30  80.19  88.68  92.45  95.28  96.23  97.17  98.11  98.11  98.11  98.11 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.50   0.56   0.66   1.18   1.41   1.48   1.56   1.63   1.75   1.75   1.75   1.75   2.16   2.16   2.16   2.16   2.16   2.16   2.16
GDT RMS_ALL_AT   2.29   2.28   2.28   2.29   2.24   2.22   2.22   2.21   2.20   2.20   2.20   2.20   2.20   2.16   2.16   2.16   2.16   2.16   2.16   2.16

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     1.615     0    0.425   0.915     8.096   70.833   45.079
LGA    D    13_A      D    13_A     1.253     0    0.069   0.889     4.530   81.429   69.345
LGA    P    14_A      P    14_A     2.042     0    0.242   0.237     2.736   66.905   65.986
LGA    G    15_A      G    15_A     0.683     0    0.157   0.157     0.683   95.238   95.238
LGA    I    16_A      I    16_A     0.795     0    0.066   0.095     0.882   90.476   90.476
LGA    N    17_A      N    17_A     0.986     0    0.011   1.108     3.492   88.214   78.750
LGA    R    18_A      R    18_A     0.781     0    0.024   0.596     3.627   88.214   77.229
LGA    K    19_A      K    19_A     0.820     0    0.045   0.643     2.460   90.476   85.608
LGA    A    20_A      A    20_A     1.041     0    0.023   0.042     1.124   81.429   81.429
LGA    I    21_A      I    21_A     0.999     0    0.018   0.048     1.008   90.476   89.345
LGA    N    22_A      N    22_A     0.914     0    0.006   0.159     1.608   88.214   86.012
LGA    F    23_A      F    23_A     0.756     0    0.046   0.106     1.111   90.476   88.831
LGA    D    24_A      D    24_A     0.568     0    0.062   0.174     0.981   90.476   90.476
LGA    L    25_A      L    25_A     0.581     0    0.066   0.090     0.819   95.238   92.857
LGA    S    26_A      S    26_A     0.177     0    0.093   0.110     0.488  100.000  100.000
LGA    T    27_A      T    27_A     0.179     0    0.065   0.074     0.583  100.000   98.639
LGA    K    28_A      K    28_A     0.485     0    0.078   1.090     5.644   95.238   72.646
LGA    S    29_A      S    29_A     0.450     0    0.052   0.063     0.844  100.000   96.825
LGA    L    30_A      L    30_A     0.149     0    0.053   0.101     0.608  100.000   98.810
LGA    E    31_A      E    31_A     0.636     0    0.020   0.119     1.095   92.857   90.529
LGA    K    32_A      K    32_A     0.637     0    0.065   0.945     5.613   90.476   68.254
LGA    Y    33_A      Y    33_A     0.398     0    0.050   0.179     0.556  100.000   98.413
LGA    F    34_A      F    34_A     0.463     0    0.025   0.071     1.218   97.619   89.784
LGA    K    35_A      K    35_A     0.274     0    0.061   0.423     1.526  100.000   94.921
LGA    D    36_A      D    36_A     0.643     0    0.032   0.222     0.958   90.476   90.476
LGA    T    37_A      T    37_A     0.760     0    0.025   0.043     0.773   90.476   90.476
LGA    R    38_A      R    38_A     0.551     0    0.016   1.279     4.581   95.238   75.108
LGA    E    39_A      E    39_A     0.441     0    0.019   0.066     0.988   97.619   93.651
LGA    P    40_A      P    40_A     0.483     0    0.018   0.027     0.492  100.000  100.000
LGA    Y    41_A      Y    41_A     0.455     0    0.035   0.220     1.374  100.000   91.429
LGA    S    42_A      S    42_A     0.362     0    0.031   0.656     2.378  100.000   94.127
LGA    L    43_A      L    43_A     0.387     0    0.030   0.171     0.568  100.000   97.619
LGA    I    44_A      I    44_A     0.549     0    0.032   0.070     0.772   92.857   91.667
LGA    K    45_A      K    45_A     0.511     0    0.042   0.127     0.766   95.238   95.767
LGA    K    46_A      K    46_A     0.457     0    0.036   0.559     2.029   95.238   89.788
LGA    F    47_A      F    47_A     0.550     0    0.038   0.043     0.599   90.476   93.074
LGA    M    48_A      M    48_A     0.609     0    0.018   0.770     3.179   90.476   86.607
LGA    L    49_A      L    49_A     0.612     0    0.058   0.416     1.665   90.476   88.274
LGA    E    50_A      E    50_A     0.602     0    0.034   0.143     1.208   90.476   89.471
LGA    N    51_A      N    51_A     0.538     0    0.055   0.104     0.671   92.857   91.667
LGA    G    52_A      G    52_A     0.721     0    0.074   0.074     0.721   92.857   92.857
LGA    F    53_A      F    53_A     0.769     0    0.034   0.086     1.032   88.214   89.654
LGA    E    54_A      E    54_A     1.112     0    0.017   0.122     2.022   88.333   80.741
LGA    H    55_A      H    55_A     0.842     0    0.062   0.293     1.970   90.476   81.619
LGA    R    56_A      R    56_A     0.396     0    0.538   0.925     3.169   88.452   75.844
LGA    Q    57_A      Q    57_A     3.263     0    0.595   1.327     7.036   41.429   34.233
LGA    Y    58_A      Y    58_A     5.106     0    0.216   1.288    12.564   33.095   15.079
LGA    S    59_A      S    59_A     4.096     0    0.588   0.526     5.263   37.500   34.603
LGA    G    60_A      G    60_A     0.798     0    0.168   0.168     0.933   90.476   90.476
LGA    Y    61_A      Y    61_A     1.109     0    0.106   0.166     1.397   81.429   82.937
LGA    T    62_A      T    62_A     0.437     0    0.023   1.070     2.501   97.619   87.483
LGA    S    63_A      S    63_A     0.218     0    0.038   0.062     0.296  100.000  100.000
LGA    K    64_A      K    64_A     0.284     0    0.014   0.795     2.756  100.000   89.418
LGA    E    65_A      E    65_A     0.088     0    0.041   0.171     0.437  100.000  100.000
LGA    P    66_A      P    66_A     0.346     0    0.058   0.048     0.536   97.619   98.639
LGA    I    67_A      I    67_A     0.626     0    0.031   1.055     2.950   92.857   80.119
LGA    N    68_A      N    68_A     0.823     0    0.035   0.148     1.044   90.476   89.345
LGA    E    69_A      E    69_A     0.753     0    0.054   1.009     3.963   90.476   71.799
LGA    R    70_A      R    70_A     0.616     0    0.062   1.533     8.596   92.857   58.268
LGA    R    71_A      R    71_A     0.931     0    0.056   1.366     6.113   90.476   66.190
LGA    V    72_A      V    72_A     0.732     0    0.063   0.119     1.035   95.238   91.905
LGA    I    73_A      I    73_A     0.150     0    0.104   1.526     3.358  100.000   83.988
LGA    R    74_A      R    74_A     0.536     0    0.023   1.503     7.130   92.857   69.307
LGA    I    75_A      I    75_A     0.610     0    0.053   0.090     0.834   92.857   91.667
LGA    I    76_A      I    76_A     0.351     0    0.058   0.115     0.521   95.238   97.619
LGA    N    77_A      N    77_A     0.484     0    0.105   1.296     3.587   95.238   80.893
LGA    K    78_A      K    78_A     0.715     0    0.032   0.655     3.206   90.476   78.360
LGA    L    79_A      L    79_A     0.626     0    0.065   0.097     0.743   90.476   90.476
LGA    T    80_A      T    80_A     0.484     0    0.030   0.144     0.831   92.857   94.558
LGA    K    81_A      K    81_A     0.736     0    0.019   0.332     1.536   90.476   87.513
LGA    K    82_A      K    82_A     0.787     0    0.053   0.581     2.907   88.214   85.767
LGA    F    83_A      F    83_A     0.625     0    0.011   0.188     1.310   92.857   88.052
LGA    T    84_A      T    84_A     0.718     0    0.108   0.113     1.292   90.476   86.599
LGA    W    85_A      W    85_A     0.510     0    0.081   0.126     0.714   95.238   93.197
LGA    L    86_A      L    86_A     0.751     0    0.008   0.271     0.993   90.476   90.476
LGA    G    87_A      G    87_A     0.824     0    0.027   0.027     0.877   90.476   90.476
LGA    E    88_A      E    88_A     0.759     0    0.137   1.000     2.569   90.476   78.254
LGA    C    89_A      C    89_A     0.744     0    0.091   0.112     0.818   90.476   92.063
LGA    V    90_A      V    90_A     0.875     0    0.011   1.061     3.170   88.214   78.639
LGA    K    91_A      K    91_A     0.503     0    0.054   0.618     1.458   92.857   89.577
LGA    E    92_A      E    92_A     0.784     0    0.047   0.627     2.893   90.476   74.656
LGA    F    93_A      F    93_A     0.811     0    0.107   0.146     1.258   88.214   86.364
LGA    D    94_A      D    94_A     1.309     0    0.019   0.095     1.591   81.429   80.357
LGA    I    95_A      I    95_A     1.389     0    0.024   0.642     1.621   81.429   80.357
LGA    T    96_A      T    96_A     1.392     0    0.041   1.141     3.417   83.690   77.007
LGA    E    97_A      E    97_A     1.679     0    0.019   0.748     3.194   72.857   71.270
LGA    I    98_A      I    98_A     1.680     0    0.019   1.453     4.090   70.833   65.417
LGA    G    99_A      G    99_A     2.858     0    0.571   0.571     4.343   52.262   52.262
LGA    E   100_A      E   100_A     3.425     0    0.622   1.002     5.147   44.048   41.587
LGA    Q   101_A      Q   101_A     2.514     0    0.086   0.566    10.623   59.524   32.116
LGA    Y   102_A      Y   102_A     3.982     0    0.623   1.224    12.550   49.167   19.762
LGA    S   103_A      S   103_A     3.882     0    0.022   0.040     4.321   43.333   41.270
LGA    L   104_A      L   104_A     2.994     0    0.064   0.132     3.292   55.357   55.357
LGA    K   105_A      K   105_A     3.023     0    0.043   0.752     5.705   51.786   44.709
LGA    E   106_A      E   106_A     3.302     0    0.090   1.321     8.176   50.000   31.852
LGA    T   107_A      T   107_A     2.777     0    0.019   0.044     2.914   57.143   57.143
LGA    I   108_A      I   108_A     2.397     0    0.025   0.101     2.563   62.857   63.810
LGA    Q   109_A      Q   109_A     2.936     0    0.032   0.285     4.110   57.143   52.540
LGA    D   110_A      D   110_A     2.820     0    0.013   0.157     3.783   57.143   53.631
LGA    L   111_A      L   111_A     2.251     0    0.028   0.050     2.417   64.762   67.798
LGA    C   112_A      C   112_A     2.733     0    0.404   0.433     2.866   61.071   61.032
LGA    A   113_A      A   113_A     3.888     0    0.150   0.165     4.429   41.786   40.857
LGA    K   114_A      K   114_A     4.880     0    0.520   0.897    15.050   34.286   17.037
LGA    D   115_A      D   115_A     6.923     0    0.152   1.242    11.168   12.857    7.560
LGA    F   116_A      F   116_A    10.199     0    0.643   1.445    19.065    1.905    0.693
LGA    H   117_A      H   117_A     9.747     0    0.212   0.851    16.536    5.238    2.095

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     2.162          2.082                  3.254           81.669   75.867

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0    102    1.56    88.208    92.578     6.162

LGA_LOCAL      RMSD:   1.555  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.214  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.162  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.132612 * X  +   0.433509 * Y  +   0.891339 * Z  +  -6.976649
  Y_new =   0.235456 * X  +  -0.887317 * Y  +   0.396522 * Z  + -40.465748
  Z_new =   0.962795 * X  +   0.157288 * Y  +  -0.219741 * Z  +  -2.560467 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.057866 -1.297162  2.520350   [DEG:   60.6113  -74.3219  144.4054 ]
ZXZ:  1.989369  1.792345  1.408861   [DEG:  113.9824  102.6938   80.7218 ]
 
# END of job
