
#######################################################
#                                                     #
#                        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  101 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.90     2.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       3_A - 96_A        1.91     2.98
  LCS_AVERAGE:     92.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       8_A - 55_A        0.83     3.26
  LCS_AVERAGE:     40.99

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     2_A     A     2_A      4    6   96      0    4    4    5    5    6    7    9    9   43   52   58   64   80   81   92   94   95   96   96 
LCS_GDT     K     3_A     K     3_A      4   92   96      3    4    4    5    5    6    7   11   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E     4_A     E     4_A      4   92   96      3    4    4   36   44   59   72   82   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R     5_A     R     5_A      4   92   96      3    4    5    6    6   12   50   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A     6_A     A     6_A      4   92   96      3    3    5    6    6    9   15   28   50   80   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L     7_A     L     7_A     38   92   96      4   20   31   45   55   70   83   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     T     8_A     T     8_A     48   92   96      3   57   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L     9_A     L     9_A     48   92   96     22   57   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    10_A     E    10_A     48   92   96     17   58   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    11_A     A    11_A     48   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    12_A     L    12_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    13_A     R    13_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     V    14_A     V    14_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     M    15_A     M    15_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     D    16_A     D    16_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    17_A     A    17_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     I    18_A     I    18_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     D    19_A     D    19_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    20_A     R    20_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    21_A     R    21_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     G    22_A     G    22_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     S    23_A     S    23_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     F    24_A     F    24_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    25_A     A    25_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    26_A     A    26_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    27_A     A    27_A     48   92   96     17   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    28_A     A    28_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     D    29_A     D    29_A     48   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    30_A     E    30_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    31_A     L    31_A     48   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     G    32_A     G    32_A     48   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    33_A     R    33_A     48   92   96     16   56   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     V    34_A     V    34_A     48   92   96     16   58   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     P    35_A     P    35_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     S    36_A     S    36_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    37_A     A    37_A     48   92   96     14   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    38_A     L    38_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     S    39_A     S    39_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     Y    40_A     Y    40_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     T    41_A     T    41_A     48   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     M    42_A     M    42_A     48   92   96     19   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     Q    43_A     Q    43_A     48   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     K    44_A     K    44_A     48   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    45_A     L    45_A     48   92   96     12   57   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    46_A     E    46_A     48   92   96     15   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    47_A     E    47_A     48   92   96     14   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    48_A     E    48_A     48   92   96     12   34   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    49_A     L    49_A     48   92   96     12   33   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     D    50_A     D    50_A     48   92   96     12   52   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     V    51_A     V    51_A     48   92   96     11   54   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     V    52_A     V    52_A     48   92   96     14   57   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    53_A     L    53_A     48   92   96     20   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     F    54_A     F    54_A     48   92   96     21   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     D    55_A     D    55_A     48   92   96      4   35   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    56_A     R    56_A     24   92   96      4    4   14   26   59   77   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     S    57_A     S    57_A     14   92   96      4    8   25   53   73   79   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    60_A     R    60_A     37   92   96      9   57   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     T    61_A     T    61_A     37   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     K    62_A     K    62_A     37   92   96     19   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     F    63_A     F    63_A     37   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     T    64_A     T    64_A     37   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     N    65_A     N    65_A     37   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     V    66_A     V    66_A     37   92   96     22   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     G    67_A     G    67_A     37   92   96     16   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    68_A     R    68_A     37   92   96     16   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     M    69_A     M    69_A     37   92   96     23   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    70_A     L    70_A     37   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    71_A     L    71_A     37   92   96     17   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    72_A     E    72_A     37   92   96      6   28   68   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    73_A     R    73_A     37   92   96     24   32   62   78   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     G    74_A     G    74_A     37   92   96     24   47   73   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    75_A     R    75_A     37   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     V    76_A     V    76_A     37   92   96     24   55   72   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    77_A     L    77_A     37   92   96     24   51   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    78_A     L    78_A     37   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    79_A     E    79_A     37   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    80_A     A    80_A     37   92   96     24   57   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    81_A     A    81_A     37   92   96     24   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     D    82_A     D    82_A     37   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     K    83_A     K    83_A     37   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    84_A     L    84_A     37   92   96     24   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     T    85_A     T    85_A     37   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     T    86_A     T    86_A     37   92   96     24   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     D    87_A     D    87_A     37   92   96     26   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    88_A     A    88_A     37   92   96     24   53   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    89_A     E    89_A     37   92   96     24   51   73   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    90_A     A    90_A     37   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    91_A     L    91_A     37   92   96     25   59   74   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     A    92_A     A    92_A     37   92   96     24   47   73   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     R    93_A     R    93_A     37   92   96     24   47   73   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     L    94_A     L    94_A     37   92   96     24   53   73   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     E    95_A     E    95_A     37   92   96     24   47   73   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     H    96_A     H    96_A     37   92   96     24   46   65   82   85   85   85   88   91   91   92   92   93   93   94   94   95   95   96   96 
LCS_GDT     H    97_A     H    97_A      3   91   96      3    4    4    4    5    5    8   11   82   85   89   91   93   93   94   94   95   95   96   96 
LCS_GDT     H    98_A     H    98_A      3    3   96      1    4    4    4    5    5    6    8   10   14   74   83   89   93   94   94   95   95   96   96 
LCS_GDT     H    99_A     H    99_A      3    3   96      0    3    3    3    5    5    6    8    9   13   16   16   18   23   30   59   95   95   96   96 
LCS_AVERAGE  LCS_A:  77.98  (  40.99   92.96  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     26     59     74     82     85     85     85     88     91     91     92     92     93     93     94     94     95     95     96     96 
GDT PERCENT_AT  27.08  61.46  77.08  85.42  88.54  88.54  88.54  91.67  94.79  94.79  95.83  95.83  96.88  96.88  97.92  97.92  98.96  98.96 100.00 100.00
GDT RMS_LOCAL    0.28   0.67   0.86   1.00   1.09   1.09   1.09   1.44   1.75   1.75   1.91   1.91   2.11   2.11   2.41   2.41   2.67   2.67   2.90   2.90
GDT RMS_ALL_AT   3.12   3.11   3.17   3.07   3.05   3.05   3.05   3.03   3.00   3.00   2.98   2.98   2.94   2.94   2.91   2.91   2.90   2.90   2.90   2.90

# Checking swapping
#   possible swapping detected:  D    19_A      D    19_A
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E    89_A      E    89_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    11.198     0    0.297   0.299    13.003    3.690    2.952
LGA    K     3_A      K     3_A     5.490     0    0.119   1.159     9.326   26.190   17.619
LGA    E     4_A      E     4_A     6.745     0    0.579   0.912    10.014   18.333    8.730
LGA    R     5_A      R     5_A     5.244     0    0.299   1.441     8.846   23.810   16.840
LGA    A     6_A      A     6_A     7.919     0    0.050   0.054    10.018   12.857   10.286
LGA    L     7_A      L     7_A     5.080     0    0.607   0.588     9.300   32.262   20.119
LGA    T     8_A      T     8_A     1.410     0    0.576   1.351     5.442   88.333   64.150
LGA    L     9_A      L     9_A     1.249     0    0.058   1.426     4.391   83.690   71.786
LGA    E    10_A      E    10_A     1.214     0    0.034   0.878     3.023   85.952   75.291
LGA    A    11_A      A    11_A     0.901     0    0.041   0.041     0.937   90.476   90.476
LGA    L    12_A      L    12_A     0.946     0    0.029   0.046     1.460   90.476   85.952
LGA    R    13_A      R    13_A     0.604     0    0.061   1.074     2.534   90.476   83.463
LGA    V    14_A      V    14_A     0.418     0    0.026   0.039     0.486  100.000  100.000
LGA    M    15_A      M    15_A     0.542     0    0.061   0.903     2.575   90.476   85.179
LGA    D    16_A      D    16_A     0.872     0    0.033   0.243     1.724   90.476   86.012
LGA    A    17_A      A    17_A     0.762     0    0.032   0.032     0.809   90.476   90.476
LGA    I    18_A      I    18_A     0.651     0    0.027   0.096     0.842   90.476   91.667
LGA    D    19_A      D    19_A     0.753     0    0.053   0.619     1.967   90.476   88.274
LGA    R    20_A      R    20_A     0.893     0    0.032   1.467     6.291   90.476   71.255
LGA    R    21_A      R    21_A     0.870     0    0.045   1.341     6.580   90.476   71.429
LGA    G    22_A      G    22_A     0.803     0    0.033   0.033     0.803   90.476   90.476
LGA    S    23_A      S    23_A     0.548     0    0.062   0.099     0.595   95.238   93.651
LGA    F    24_A      F    24_A     0.442     0    0.030   0.206     1.062   95.238   91.429
LGA    A    25_A      A    25_A     0.607     0    0.048   0.046     0.742   90.476   90.476
LGA    A    26_A      A    26_A     0.960     0    0.046   0.057     1.247   85.952   85.048
LGA    A    27_A      A    27_A     1.171     0    0.011   0.012     1.250   81.429   81.429
LGA    A    28_A      A    28_A     0.759     0    0.060   0.057     0.998   90.476   92.381
LGA    D    29_A      D    29_A     1.047     0    0.063   0.937     3.637   83.690   75.655
LGA    E    30_A      E    30_A     1.065     0    0.047   0.386     1.271   81.429   83.439
LGA    L    31_A      L    31_A     1.131     0    0.215   0.247     1.901   81.429   81.488
LGA    G    32_A      G    32_A     1.078     0    0.189   0.189     1.078   86.071   86.071
LGA    R    33_A      R    33_A     1.452     0    0.080   1.437     7.316   79.286   59.827
LGA    V    34_A      V    34_A     1.196     0    0.063   1.155     2.249   81.429   76.667
LGA    P    35_A      P    35_A     0.625     0    0.037   0.076     0.992   90.476   90.476
LGA    S    36_A      S    36_A     0.647     0    0.115   0.659     3.334   92.857   85.317
LGA    A    37_A      A    37_A     0.974     0    0.022   0.026     1.202   90.476   88.667
LGA    L    38_A      L    38_A     0.708     0    0.030   1.090     3.515   95.238   81.667
LGA    S    39_A      S    39_A     0.487     0    0.032   0.039     0.521   97.619   98.413
LGA    Y    40_A      Y    40_A     0.598     0    0.038   0.091     0.929   92.857   91.270
LGA    T    41_A      T    41_A     0.507     0    0.039   0.050     0.721   95.238   94.558
LGA    M    42_A      M    42_A     0.237     0    0.051   0.239     0.905  100.000   96.429
LGA    Q    43_A      Q    43_A     0.301     0    0.053   1.394     4.912   97.619   76.296
LGA    K    44_A      K    44_A     0.590     0    0.020   0.779     4.547   90.595   77.407
LGA    L    45_A      L    45_A     0.995     0    0.025   0.984     3.718   85.952   76.845
LGA    E    46_A      E    46_A     0.826     0    0.032   0.053     1.125   88.214   89.471
LGA    E    47_A      E    47_A     1.053     0    0.044   0.251     1.639   81.548   84.497
LGA    E    48_A      E    48_A     1.668     0    0.043   0.130     1.957   75.000   73.810
LGA    L    49_A      L    49_A     1.865     0    0.154   1.337     5.807   72.857   60.774
LGA    D    50_A      D    50_A     1.676     0    0.422   0.823     3.810   68.929   60.417
LGA    V    51_A      V    51_A     1.883     0    0.056   0.091     3.407   72.857   65.102
LGA    V    52_A      V    52_A     1.304     0    0.067   1.059     3.765   86.190   76.327
LGA    L    53_A      L    53_A     0.694     0    0.098   0.135     1.262   92.857   88.274
LGA    F    54_A      F    54_A     0.779     0    0.084   0.136     1.676   88.333   83.203
LGA    D    55_A      D    55_A     1.704     0    0.074   0.503     3.208   65.357   74.583
LGA    R    56_A      R    56_A     5.126     0    0.476   0.908    10.885   34.524   16.450
LGA    S    57_A      S    57_A     4.847     0    0.289   0.648     5.677   28.810   28.968
LGA    R    60_A      R    60_A     1.463     6    0.148   0.195     2.390   81.786   37.965
LGA    T    61_A      T    61_A     0.509     0    0.030   0.090     1.107   90.476   89.184
LGA    K    62_A      K    62_A     0.840     0    0.164   1.003     4.343   90.476   78.307
LGA    F    63_A      F    63_A     0.441     0    0.131   0.135     0.865   92.857   94.805
LGA    T    64_A      T    64_A     0.609     0    0.044   0.044     0.666   90.476   90.476
LGA    N    65_A      N    65_A     0.540     0    0.075   0.212     1.153   95.238   92.917
LGA    V    66_A      V    66_A     0.411     0    0.036   0.065     0.674   95.238   95.918
LGA    G    67_A      G    67_A     0.836     0    0.035   0.035     0.836   90.476   90.476
LGA    R    68_A      R    68_A     0.708     0    0.056   1.199     3.683   95.238   81.472
LGA    M    69_A      M    69_A     0.410     0    0.048   1.005     3.415   95.238   83.631
LGA    L    70_A      L    70_A     0.915     0    0.053   1.379     3.354   88.214   80.952
LGA    L    71_A      L    71_A     0.864     0    0.053   1.418     3.305   85.952   73.750
LGA    E    72_A      E    72_A     2.088     0    0.041   0.076     3.809   68.929   58.519
LGA    R    73_A      R    73_A     2.717     0    0.121   1.014     9.305   62.857   33.550
LGA    G    74_A      G    74_A     1.536     0    0.059   0.059     1.841   77.143   77.143
LGA    R    75_A      R    75_A     1.049     0    0.043   0.937     3.824   81.429   78.788
LGA    V    76_A      V    76_A     1.772     0    0.054   0.069     2.507   72.857   68.299
LGA    L    77_A      L    77_A     1.501     0    0.024   0.941     3.923   79.286   70.417
LGA    L    78_A      L    78_A     0.555     0    0.019   0.062     0.885   92.857   96.429
LGA    E    79_A      E    79_A     0.922     0    0.035   0.946     3.828   90.476   73.968
LGA    A    80_A      A    80_A     1.278     0    0.046   0.049     1.748   85.952   83.333
LGA    A    81_A      A    81_A     0.680     0    0.028   0.028     0.826   95.238   94.286
LGA    D    82_A      D    82_A     0.373     0    0.023   1.234     4.693  100.000   78.631
LGA    K    83_A      K    83_A     0.815     0    0.021   1.136     5.552   90.476   71.746
LGA    L    84_A      L    84_A     0.786     0    0.035   1.422     3.736   90.476   81.190
LGA    T    85_A      T    85_A     0.571     0    0.034   0.035     1.068   92.857   90.544
LGA    T    86_A      T    86_A     0.675     0    0.025   0.029     1.295   95.238   90.612
LGA    D    87_A      D    87_A     0.354     0    0.028   0.136     1.578  100.000   91.905
LGA    A    88_A      A    88_A     1.042     0    0.023   0.023     1.415   83.690   83.238
LGA    E    89_A      E    89_A     1.505     0    0.083   0.222     2.859   79.286   70.423
LGA    A    90_A      A    90_A     0.737     0    0.043   0.044     0.816   90.476   90.476
LGA    L    91_A      L    91_A     0.677     0    0.024   1.425     3.367   85.952   75.774
LGA    A    92_A      A    92_A     1.683     0    0.018   0.019     2.046   72.976   72.952
LGA    R    93_A      R    93_A     1.917     0    0.034   0.923     3.070   70.833   64.978
LGA    L    94_A      L    94_A     1.263     0    0.127   0.150     1.912   77.143   82.679
LGA    E    95_A      E    95_A     1.881     0    0.220   0.926     5.224   67.262   52.434
LGA    H    96_A      H    96_A     2.793     0    0.465   1.223     7.016   41.310   31.571
LGA    H    97_A      H    97_A     9.535     0    0.591   1.233    14.870    3.452    1.381
LGA    H    98_A      H    98_A    12.380     0    0.604   1.262    14.261    0.000    0.000
LGA    H    99_A      H    99_A    12.883     0    0.675   1.151    13.764    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.896          2.828                  3.579           78.406   72.233

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     88    1.44    84.115    88.842     5.731

LGA_LOCAL      RMSD:   1.436  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.032  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.896  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.207571 * X  +  -0.252599 * Y  +  -0.945044 * Z  +   7.250303
  Y_new =  -0.319708 * X  +  -0.930550 * Y  +   0.178504 * Z  +   2.238083
  Z_new =  -0.924500 * X  +   0.265086 * Y  +  -0.273913 * Z  +  23.789667 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.994948  1.179723  2.372569   [DEG:  -57.0063   67.5931  135.9382 ]
ZXZ: -1.757481  1.848256 -1.291554   [DEG: -100.6963  105.8972  -74.0006 ]
 
# END of job
