
#######################################################
#                                                     #
#                        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  123 ( 1008),  selected   93 , name one
# Molecule2: number of CA atoms   93 (  756),  selected   93 , 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:    93      29_A - 121_A       2.98     2.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85      29_A - 113_A       1.97     3.21
  LCS_AVERAGE:     85.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      75_A - 109_A       1.00     3.35
  LCS_AVERAGE:     26.16

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   93
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    29_A     N    29_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     23   85   93     13   33   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     23   85   93     11   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     23   85   93      9   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     23   85   93     10   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     23   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     23   85   93     12   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     23   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     23   85   93      8   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     23   85   93      8   23   57   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     23   85   93      8   23   57   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     23   85   93     10   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     23   85   93      7   21   52   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     23   85   93      7   23   45   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     23   85   93     11   31   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     23   85   93      4   12   24   40   69   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     23   85   93      3    6    8   15   45   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     19   85   93      3    6   19   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     19   85   93      3    5    9   22   68   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     19   85   93     12   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     19   85   93      5   17   62   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     19   85   93     10   31   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     19   85   93     12   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     19   85   93     12   19   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     19   85   93     12   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     19   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     19   85   93     12   17   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     19   85   93     12   21   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     19   85   93     12   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     19   85   93     12   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     19   85   93     12   34   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     19   85   93     12   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     19   85   93     12   36   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     19   85   93     12   33   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     19   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     19   85   93      6   30   61   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A      3   85   93      3    4    7   26   37   71   75   79   82   84   85   88   89   91   92   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A      5   85   93      5   19   58   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A      5   85   93      5    9   30   66   72   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A      5   85   93      5    6   21   38   56   70   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     35   85   93      5    7   33   61   73   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     35   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     35   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     35   85   93      5   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     35   85   93      9   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     35   85   93      7   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     35   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     35   85   93     13   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     35   85   93     10   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     35   85   93     12   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     35   85   93     12   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     35   85   93     12   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     35   85   93     10   32   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     35   85   93     10   34   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     35   85   93      9   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     35   85   93     10   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     35   85   93      8   35   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     35   85   93      8   34   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     35   85   93      8   35   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     35   85   93      3   38   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     35   85   93     15   40   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     35   85   93     15   39   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     35   85   93      3   11   50   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     35   85   93      3    8   31   56   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     35   85   93      8   34   63   71   74   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A      9   85   93      3   15   18   29   71   75   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     11   85   93      8   15   25   66   73   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   85   93      8   11   11   18   56   77   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   85   93      8   11   11   12   26   49   64   73   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   42   93      8   11   12   22   27   45   66   80   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   22   93      8   11   15   22   40   73   80   83   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   22   93      8   11   13   22   27   44   64   73   85   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   22   93      8   11   11   22   27   30   36   47   64   83   86   88   90   91   92   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   22   93      8   11   12   22   27   30   41   57   67   81   86   89   90   91   92   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   22   93      5   11   12   22   27   33   43   64   76   87   88   89   90   91   92   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   22   93      8   11   11   22   27   30   36   46   52   68   78   83   90   91   92   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   22   93      5   11   11   12   23   27   36   38   50   59   70   82   85   91   92   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  70.66  (  26.16   85.80  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     15     40     63     71     74     77     80     83     85     87     88     89     90     91     92     93     93     93     93     93 
GDT PERCENT_AT  16.13  43.01  67.74  76.34  79.57  82.80  86.02  89.25  91.40  93.55  94.62  95.70  96.77  97.85  98.92 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.75   1.00   1.15   1.25   1.37   1.52   1.72   1.92   2.14   2.27   2.40   2.53   2.61   2.91   2.98   2.98   2.98   2.98   2.98
GDT RMS_ALL_AT   3.48   3.42   3.37   3.38   3.41   3.39   3.32   3.23   3.16   3.08   3.05   3.02   3.00   3.01   2.98   2.98   2.98   2.98   2.98   2.98

# Checking swapping
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  E   116_A      E   116_A
#   possible swapping detected:  F   118_A      F   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     1.087     0    0.552   0.858     3.820   69.762   71.548
LGA    I    30_A      I    30_A     1.310     0    0.112   0.217     1.774   79.286   80.417
LGA    D    31_A      D    31_A     1.379     0    0.046   0.259     2.132   79.286   77.202
LGA    E    32_A      E    32_A     1.267     0    0.055   0.357     1.658   81.429   81.481
LGA    I    33_A      I    33_A     1.159     0    0.058   0.615     1.441   81.429   81.429
LGA    I    34_A      I    34_A     1.378     0    0.129   1.558     4.640   77.143   67.024
LGA    E    35_A      E    35_A     1.788     0    0.122   0.818     2.678   68.929   71.270
LGA    N    36_A      N    36_A     1.438     0    0.608   0.876     4.530   71.429   60.417
LGA    R    37_A      R    37_A     1.217     0    0.338   0.979     4.297   79.405   65.628
LGA    K    38_A      K    38_A     1.097     0    0.165   1.067     5.490   79.286   62.487
LGA    L    39_A      L    39_A     1.174     0    0.043   0.121     1.666   81.429   80.357
LGA    L    40_A      L    40_A     1.174     0    0.066   0.108     1.845   83.690   79.345
LGA    V    41_A      V    41_A     0.480     0    0.044   0.120     1.050   95.238   90.612
LGA    P    42_A      P    42_A     0.268     0    0.044   0.535     1.798  100.000   94.762
LGA    Y    43_A      Y    43_A     0.961     0    0.035   0.553     2.600   88.333   75.397
LGA    I    44_A      I    44_A     1.920     0    0.061   0.119     2.650   72.976   67.917
LGA    K    45_A      K    45_A     1.887     0    0.104   0.107     4.372   77.143   62.328
LGA    C    46_A      C    46_A     0.983     0    0.048   0.811     2.297   83.690   81.667
LGA    T    47_A      T    47_A     2.004     0    0.161   1.246     4.530   64.881   61.361
LGA    L    48_A      L    48_A     2.393     0    0.234   0.259     3.847   68.810   58.631
LGA    D    49_A      D    49_A     1.552     0    0.315   1.275     5.010   61.429   50.655
LGA    Q    50_A      Q    50_A     3.449     0    0.126   0.453     5.726   43.929   35.450
LGA    G    51_A      G    51_A     3.861     0    0.260   0.260     4.079   48.690   48.690
LGA    R    52_A      R    52_A     2.774     0    0.133   1.153    10.406   66.905   33.506
LGA    C    53_A      C    53_A     3.503     0    0.127   0.716     4.834   52.143   45.238
LGA    T    54_A      T    54_A     1.087     0    0.096   0.098     1.608   79.286   84.082
LGA    P    55_A      P    55_A     1.973     0    0.071   0.094     2.374   72.857   70.544
LGA    E    56_A      E    56_A     1.271     0    0.023   0.387     2.511   85.952   74.233
LGA    G    57_A      G    57_A     0.972     0    0.041   0.041     1.157   85.952   85.952
LGA    R    58_A      R    58_A     1.560     0    0.076   1.113     5.570   79.286   64.848
LGA    E    59_A      E    59_A     1.138     0    0.044   1.114     3.884   85.952   75.503
LGA    L    60_A      L    60_A     0.607     0    0.025   0.142     1.728   92.857   87.202
LGA    K    61_A      K    61_A     1.511     0    0.023   1.153     9.268   81.548   50.423
LGA    A    62_A      A    62_A     1.341     0    0.035   0.034     1.798   85.952   83.333
LGA    H    63_A      H    63_A     0.914     0    0.040   1.115     2.684   90.476   78.429
LGA    I    64_A      I    64_A     0.899     0    0.029   0.624     3.360   88.214   79.821
LGA    K    65_A      K    65_A     1.049     0    0.056   0.953     3.011   88.214   76.243
LGA    D    66_A      D    66_A     0.904     0    0.055   0.842     4.771   88.333   67.619
LGA    A    67_A      A    67_A     1.494     0    0.070   0.068     2.177   77.381   76.476
LGA    M    68_A      M    68_A     1.420     0    0.062   0.725     1.728   79.286   78.214
LGA    Q    69_A      Q    69_A     1.029     0    0.100   1.181     5.456   85.952   70.317
LGA    T    70_A      T    70_A     1.591     0    0.029   0.934     5.635   83.810   60.884
LGA    S    71_A      S    71_A     5.390     0    0.145   0.674     8.679   31.190   22.937
LGA    C    72_A      C    72_A     2.330     0    0.158   0.584     4.447   76.310   65.397
LGA    S    73_A      S    73_A     3.009     0    0.046   0.667     5.059   48.690   48.175
LGA    K    74_A      K    74_A     5.354     0    0.538   0.986    14.416   32.976   16.296
LGA    C    75_A      C    75_A     2.760     0    0.186   0.677     3.259   63.214   62.460
LGA    T    76_A      T    76_A     1.101     0    0.098   0.137     2.086   81.548   77.891
LGA    E    77_A      E    77_A     0.683     0    0.045   0.995     2.758   88.214   81.905
LGA    K    78_A      K    78_A     0.826     4    0.092   0.089     1.120   88.214   49.259
LGA    Q    79_A      Q    79_A     1.105     0    0.114   0.209     1.223   85.952   85.450
LGA    K    80_A      K    80_A     1.350     0    0.036   0.659     2.994   79.286   71.376
LGA    K    81_A      K    81_A     1.305     4    0.030   0.034     1.375   81.429   45.238
LGA    G    82_A      G    82_A     1.274     0    0.012   0.012     1.304   81.429   81.429
LGA    A    83_A      A    83_A     1.279     0    0.067   0.062     1.543   83.690   81.524
LGA    R    84_A      R    84_A     0.884     0    0.067   1.080     5.353   85.952   63.853
LGA    K    85_A      K    85_A     1.026     0    0.060   0.620     2.395   83.690   76.931
LGA    V    86_A      V    86_A     1.012     0    0.066   0.086     1.267   88.214   85.306
LGA    V    87_A      V    87_A     1.385     0    0.038   0.058     2.010   81.429   76.599
LGA    R    88_A      R    88_A     1.238     0    0.069   1.286     7.072   85.952   57.100
LGA    H    89_A      H    89_A     0.396     0    0.314   1.183     7.199   84.167   56.429
LGA    I    90_A      I    90_A     0.848     0    0.061   0.109     1.370   88.214   87.083
LGA    R    91_A      R    91_A     0.792     0    0.079   1.177     7.635   88.214   59.307
LGA    A    92_A      A    92_A     0.846     0    0.058   0.058     0.915   90.476   90.476
LGA    K    93_A      K    93_A     0.871     0    0.176   0.357     3.672   92.857   74.233
LGA    E    94_A      E    94_A     0.778     0    0.407   1.069     2.606   86.429   80.106
LGA    Q    95_A      Q    95_A     0.235     4    0.077   0.074     0.785   97.619   54.497
LGA    E    96_A      E    96_A     0.851     0    0.096   0.595     2.082   90.476   83.651
LGA    Y    97_A      Y    97_A     0.788     0    0.052   1.046     8.373   90.476   54.087
LGA    W    98_A      W    98_A     0.915     0    0.062   0.381     3.239   90.476   70.714
LGA    K    99_A      K    99_A     0.529     0    0.095   1.185     6.005   90.476   74.127
LGA    Q   100_A      Q   100_A     0.420     0    0.052   0.502     1.703  100.000   88.783
LGA    I   101_A      I   101_A     0.694     0    0.048   0.113     1.057   90.476   90.536
LGA    L   102_A      L   102_A     0.906     0    0.073   0.205     1.462   85.952   87.083
LGA    A   103_A      A   103_A     1.045     0    0.057   0.063     1.045   83.690   85.048
LGA    K   104_A      K   104_A     0.814     0    0.063   1.018     5.463   88.214   73.439
LGA    Y   105_A      Y   105_A     0.844     0    0.070   0.156     1.727   85.952   82.976
LGA    D   106_A      D   106_A     1.078     0    0.144   0.193     1.330   81.429   85.952
LGA    P   107_A      P   107_A     2.234     0    0.047   0.315     3.126   66.786   62.721
LGA    E   108_A      E   108_A     3.175     0    0.069   0.527     5.880   53.571   42.116
LGA    D   109_A      D   109_A     1.026     0    0.493   0.541     3.432   67.262   66.190
LGA    Q   110_A      Q   110_A     3.780     0    0.218   1.147    10.006   41.310   24.603
LGA    Y   111_A      Y   111_A     2.658     0    0.288   0.246     5.310   57.262   52.103
LGA    K   112_A      K   112_A     4.237     0    0.058   0.807     6.175   33.690   28.677
LGA    E   113_A      E   113_A     7.089     0    0.043   0.726    11.443   11.548    5.926
LGA    N   114_A      N   114_A     6.615     0    0.048   0.114     7.821   14.405   13.571
LGA    Y   115_A      Y   115_A     4.914     0    0.084   1.160     8.591   26.310   33.016
LGA    E   116_A      E   116_A     7.070     0    0.046   0.831     8.738    8.690    9.048
LGA    T   117_A      T   117_A     9.589     0    0.032   0.978    10.785    1.429    0.952
LGA    F   118_A      F   118_A     8.922     0    0.028   0.265     9.731    2.262    2.424
LGA    L   119_A      L   119_A     8.057     0    0.041   0.963     9.365    3.095   11.429
LGA    A   120_A      A   120_A    11.132     0    0.256   0.271    13.059    0.000    0.000
LGA    A   121_A      A   121_A    12.840     0    0.104   0.119    14.520    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       93     372    372  100.00     756    756  100.00                93
SUMMARY(RMSD_GDC):     2.980          3.030                  3.657           71.275   62.681

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     83    1.72    77.151    82.882     4.561

LGA_LOCAL      RMSD:   1.720  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.234  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.980  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.898152 * X  +   0.109237 * Y  +  -0.425900 * Z  +  16.942942
  Y_new =   0.410477 * X  +  -0.555474 * Y  +   0.723157 * Z  +  -4.374633
  Z_new =  -0.157581 * X  +  -0.824327 * Y  +  -0.543739 * Z  +  14.669363 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.428680  0.158241 -2.153902   [DEG:   24.5616    9.0665 -123.4095 ]
ZXZ: -2.609341  2.145682 -2.952708   [DEG: -149.5042  122.9385 -169.1777 ]
 
# END of job
