
#######################################################
#                                                     #
#                        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        2.28     2.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95       2_A - 98_A        1.97     2.29
  LCS_AVERAGE:     98.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        0.77     2.36
  LCS_AVERAGE:     90.96

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      3   95   96      3    3    4    4    6    8   11   22   47   79   81   93   93   93   93   93   94   94   96   96 
LCS_GDT     K     3_A     K     3_A      3   95   96      3    3    3    4   11   47   68   82   87   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E     4_A     E     4_A     91   95   96      3    3   18   70   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R     5_A     R     5_A     91   95   96      3    4   41   81   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A     6_A     A     6_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L     7_A     L     7_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     T     8_A     T     8_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L     9_A     L     9_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    10_A     E    10_A     91   95   96     60   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    11_A     A    11_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    12_A     L    12_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    13_A     R    13_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     V    14_A     V    14_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     M    15_A     M    15_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     D    16_A     D    16_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    17_A     A    17_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     I    18_A     I    18_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     D    19_A     D    19_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    20_A     R    20_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    21_A     R    21_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     G    22_A     G    22_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     S    23_A     S    23_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     F    24_A     F    24_A     91   95   96     67   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    25_A     A    25_A     91   95   96     61   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    26_A     A    26_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    27_A     A    27_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    28_A     A    28_A     91   95   96     64   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     D    29_A     D    29_A     91   95   96     61   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    30_A     E    30_A     91   95   96     61   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    31_A     L    31_A     91   95   96     61   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     G    32_A     G    32_A     91   95   96     60   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    33_A     R    33_A     91   95   96     56   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     V    34_A     V    34_A     91   95   96     60   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     P    35_A     P    35_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     S    36_A     S    36_A     91   95   96     61   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    37_A     A    37_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    38_A     L    38_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     S    39_A     S    39_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     Y    40_A     Y    40_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     T    41_A     T    41_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     M    42_A     M    42_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     Q    43_A     Q    43_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     K    44_A     K    44_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    45_A     L    45_A     91   95   96     27   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    46_A     E    46_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    47_A     E    47_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    48_A     E    48_A     91   95   96     27   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    49_A     L    49_A     91   95   96     27   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     D    50_A     D    50_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     V    51_A     V    51_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     V    52_A     V    52_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    53_A     L    53_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     F    54_A     F    54_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     D    55_A     D    55_A     91   95   96     61   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    56_A     R    56_A     91   95   96      3    3   50   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     S    57_A     S    57_A     91   95   96     22   79   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    60_A     R    60_A     91   95   96     37   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     T    61_A     T    61_A     91   95   96      4   75   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     K    62_A     K    62_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     F    63_A     F    63_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     T    64_A     T    64_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     N    65_A     N    65_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     V    66_A     V    66_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     G    67_A     G    67_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    68_A     R    68_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     M    69_A     M    69_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    70_A     L    70_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    71_A     L    71_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    72_A     E    72_A     91   95   96     53   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    73_A     R    73_A     91   95   96     58   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     G    74_A     G    74_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    75_A     R    75_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     V    76_A     V    76_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    77_A     L    77_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    78_A     L    78_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    79_A     E    79_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    80_A     A    80_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    81_A     A    81_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     D    82_A     D    82_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     K    83_A     K    83_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    84_A     L    84_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     T    85_A     T    85_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     T    86_A     T    86_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     D    87_A     D    87_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    88_A     A    88_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    89_A     E    89_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    90_A     A    90_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    91_A     L    91_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     A    92_A     A    92_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     R    93_A     R    93_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     L    94_A     L    94_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     E    95_A     E    95_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     H    96_A     H    96_A     91   95   96     68   86   88   88   90   90   91   91   91   92   92   93   93   93   93   93   94   95   96   96 
LCS_GDT     H    97_A     H    97_A     90   95   96      3    4    4    4    5    5    7   79   82   85   92   92   92   93   93   93   94   95   96   96 
LCS_GDT     H    98_A     H    98_A      3   95   96      3    4    4    4    5    5    7    9   11   15   19   23   84   93   93   93   94   95   96   96 
LCS_GDT     H    99_A     H    99_A      3   94   96      3    3    3    3    5    5    7    8   11   15   16   17   23   28   38   55   94   95   96   96 
LCS_AVERAGE  LCS_A:  96.64  (  90.96   98.95  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     68     86     88     88     90     90     91     91     91     92     92     93     93     93     93     93     94     95     96     96 
GDT PERCENT_AT  70.83  89.58  91.67  91.67  93.75  93.75  94.79  94.79  94.79  95.83  95.83  96.88  96.88  96.88  96.88  96.88  97.92  98.96 100.00 100.00
GDT RMS_LOCAL    0.35   0.46   0.51   0.51   0.67   0.67   0.77   0.77   0.77   1.08   1.08   1.45   1.45   1.33   1.33   1.33   1.65   2.06   2.28   2.28
GDT RMS_ALL_AT   2.40   2.37   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.37   2.37   2.33   2.33   2.33   2.34   2.29   2.28   2.28

# Checking swapping
#   possible swapping detected:  D    16_A      D    16_A
#   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:  D    55_A      D    55_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
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A     9.815     0    0.487   0.479    10.371    1.548    1.333
LGA    K     3_A      K     3_A     7.396     0    0.446   1.200    16.883   24.048   11.217
LGA    E     4_A      E     4_A     3.701     0    0.124   0.994     9.609   42.262   22.169
LGA    R     5_A      R     5_A     3.178     0    0.592   0.918    14.441   63.333   27.403
LGA    A     6_A      A     6_A     0.503     0    0.074   0.080     0.921   90.476   92.381
LGA    L     7_A      L     7_A     0.577     0    0.040   0.110     0.997   90.476   90.476
LGA    T     8_A      T     8_A     0.424     0    0.016   0.064     0.728  100.000   97.279
LGA    L     9_A      L     9_A     0.338     0    0.014   0.095     0.372  100.000  100.000
LGA    E    10_A      E    10_A     0.606     0    0.025   1.181     3.741   90.476   81.270
LGA    A    11_A      A    11_A     0.472     0    0.017   0.018     0.515  100.000   98.095
LGA    L    12_A      L    12_A     0.286     0    0.012   0.032     0.384  100.000  100.000
LGA    R    13_A      R    13_A     0.355     0    0.027   0.999     3.573  100.000   88.874
LGA    V    14_A      V    14_A     0.315     0    0.018   0.023     0.331  100.000  100.000
LGA    M    15_A      M    15_A     0.281     0    0.011   0.870     2.801  100.000   93.452
LGA    D    16_A      D    16_A     0.405     0    0.018   0.122     0.912  100.000   96.429
LGA    A    17_A      A    17_A     0.430     0    0.019   0.019     0.508  100.000   98.095
LGA    I    18_A      I    18_A     0.235     0    0.018   0.049     0.349  100.000  100.000
LGA    D    19_A      D    19_A     0.267     0    0.008   0.101     0.512  100.000   98.810
LGA    R    20_A      R    20_A     0.329     0    0.024   0.299     1.010  100.000   95.714
LGA    R    21_A      R    21_A     0.366     0    0.024   1.242     4.413  100.000   82.641
LGA    G    22_A      G    22_A     0.318     0    0.043   0.043     0.319  100.000  100.000
LGA    S    23_A      S    23_A     0.381     0    0.025   0.027     0.388  100.000  100.000
LGA    F    24_A      F    24_A     0.413     0    0.030   0.113     0.545   97.619   99.134
LGA    A    25_A      A    25_A     0.565     0    0.008   0.009     0.598   90.476   90.476
LGA    A    26_A      A    26_A     0.414     0    0.014   0.014     0.524  100.000   98.095
LGA    A    27_A      A    27_A     0.346     0    0.004   0.003     0.423  100.000  100.000
LGA    A    28_A      A    28_A     0.473     0    0.009   0.009     0.676   95.238   94.286
LGA    D    29_A      D    29_A     0.689     0    0.003   0.795     2.355   90.476   86.131
LGA    E    30_A      E    30_A     0.654     0    0.006   0.139     0.888   90.476   91.534
LGA    L    31_A      L    31_A     0.645     0    0.023   0.066     0.676   90.476   91.667
LGA    G    32_A      G    32_A     0.776     0    0.014   0.014     0.824   90.476   90.476
LGA    R    33_A      R    33_A     0.854     0    0.039   1.558     7.149   90.476   60.216
LGA    V    34_A      V    34_A     0.821     0    0.037   0.064     0.988   90.476   90.476
LGA    P    35_A      P    35_A     0.338     0    0.029   0.054     0.860   97.619   95.918
LGA    S    36_A      S    36_A     0.636     0    0.087   0.645     3.631   95.238   84.286
LGA    A    37_A      A    37_A     0.277     0    0.014   0.014     0.355  100.000  100.000
LGA    L    38_A      L    38_A     0.260     0    0.019   0.028     0.340  100.000  100.000
LGA    S    39_A      S    39_A     0.300     0    0.019   0.021     0.386  100.000  100.000
LGA    Y    40_A      Y    40_A     0.251     0    0.010   0.041     0.591  100.000   98.413
LGA    T    41_A      T    41_A     0.238     0    0.029   0.065     0.378  100.000  100.000
LGA    M    42_A      M    42_A     0.206     0    0.030   0.120     0.428  100.000  100.000
LGA    Q    43_A      Q    43_A     0.225     0    0.052   0.156     1.362  100.000   92.751
LGA    K    44_A      K    44_A     0.366     0    0.019   0.747     4.673   95.238   79.683
LGA    L    45_A      L    45_A     0.662     0    0.011   0.052     0.952   90.476   90.476
LGA    E    46_A      E    46_A     0.388     0    0.007   0.067     0.635  100.000   96.825
LGA    E    47_A      E    47_A     0.357     0    0.040   0.240     1.208   95.238   93.704
LGA    E    48_A      E    48_A     0.746     0    0.014   0.154     0.923   90.476   90.476
LGA    L    49_A      L    49_A     0.715     0    0.028   0.103     1.042   90.476   89.345
LGA    D    50_A      D    50_A     0.336     0    0.012   0.195     0.833  100.000   98.810
LGA    V    51_A      V    51_A     0.456     0    0.011   0.033     0.801  100.000   95.918
LGA    V    52_A      V    52_A     0.484     0    0.037   0.074     0.728   97.619   94.558
LGA    L    53_A      L    53_A     0.407     0    0.040   0.059     0.919  100.000   95.238
LGA    F    54_A      F    54_A     0.152     0    0.037   0.063     0.470  100.000  100.000
LGA    D    55_A      D    55_A     0.513     0    0.113   0.489     1.331   88.333   87.143
LGA    R    56_A      R    56_A     2.727     0    0.045   0.288     5.791   59.286   40.346
LGA    S    57_A      S    57_A     1.526     0    0.632   0.568     3.447   67.143   69.048
LGA    R    60_A      R    60_A     0.994     6    0.089   0.123     1.284   88.214   40.303
LGA    T    61_A      T    61_A     1.538     0    0.038   0.166     2.700   79.286   71.973
LGA    K    62_A      K    62_A     0.370     0    0.064   0.983     3.995   97.619   84.233
LGA    F    63_A      F    63_A     0.204     0    0.017   0.156     0.587  100.000   98.268
LGA    T    64_A      T    64_A     0.307     0    0.030   0.057     0.461  100.000  100.000
LGA    N    65_A      N    65_A     0.247     0    0.033   0.137     0.733  100.000   98.810
LGA    V    66_A      V    66_A     0.301     0    0.008   0.032     0.414  100.000  100.000
LGA    G    67_A      G    67_A     0.465     0    0.025   0.025     0.491  100.000  100.000
LGA    R    68_A      R    68_A     0.488     0    0.043   0.600     1.579  100.000   90.736
LGA    M    69_A      M    69_A     0.542     0    0.041   0.960     3.085   90.476   87.798
LGA    L    70_A      L    70_A     0.548     0    0.008   0.060     0.731   90.476   91.667
LGA    L    71_A      L    71_A     0.532     0    0.031   0.063     0.578   90.476   94.048
LGA    E    72_A      E    72_A     0.706     0    0.011   0.077     1.557   90.476   85.503
LGA    R    73_A      R    73_A     0.549     0    0.063   1.255     3.893   97.619   84.719
LGA    G    74_A      G    74_A     0.203     0    0.062   0.062     0.238  100.000  100.000
LGA    R    75_A      R    75_A     0.212     0    0.026   0.196     0.865  100.000   96.537
LGA    V    76_A      V    76_A     0.124     0    0.019   0.057     0.189  100.000  100.000
LGA    L    77_A      L    77_A     0.111     0    0.006   0.919     3.135  100.000   91.369
LGA    L    78_A      L    78_A     0.099     0    0.012   0.099     0.315  100.000  100.000
LGA    E    79_A      E    79_A     0.202     0    0.007   0.942     2.993  100.000   80.952
LGA    A    80_A      A    80_A     0.221     0    0.053   0.054     0.371  100.000  100.000
LGA    A    81_A      A    81_A     0.219     0    0.023   0.025     0.239  100.000  100.000
LGA    D    82_A      D    82_A     0.298     0    0.011   0.238     0.691  100.000   98.810
LGA    K    83_A      K    83_A     0.317     0    0.006   0.687     2.149  100.000   92.910
LGA    L    84_A      L    84_A     0.302     0    0.029   0.115     0.479  100.000  100.000
LGA    T    85_A      T    85_A     0.221     0    0.008   0.020     0.327  100.000  100.000
LGA    T    86_A      T    86_A     0.416     0    0.011   0.021     0.508  100.000   98.639
LGA    D    87_A      D    87_A     0.463     0    0.010   0.023     0.554   97.619   98.810
LGA    A    88_A      A    88_A     0.464     0    0.005   0.005     0.489  100.000  100.000
LGA    E    89_A      E    89_A     0.489     0    0.007   0.066     0.658   95.238   95.767
LGA    A    90_A      A    90_A     0.637     0    0.008   0.009     0.682   90.476   90.476
LGA    L    91_A      L    91_A     0.671     0    0.023   1.402     3.558   90.476   74.524
LGA    A    92_A      A    92_A     0.531     0    0.015   0.018     0.682   90.476   92.381
LGA    R    93_A      R    93_A     0.715     0    0.039   0.524     2.739   90.476   81.255
LGA    L    94_A      L    94_A     0.783     0    0.074   0.143     1.094   88.214   89.345
LGA    E    95_A      E    95_A     0.502     0    0.161   0.164     1.316   92.857   88.519
LGA    H    96_A      H    96_A     0.447     0    0.420   0.566     9.189   74.405   41.238
LGA    H    97_A      H    97_A     7.526     0    0.639   1.205    10.435   10.714    5.810
LGA    H    98_A      H    98_A    10.994     0    0.645   0.664    15.563    0.357    0.143
LGA    H    99_A      H    99_A    12.252     0    0.645   1.245    13.219    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):     2.283          2.276                  3.126           90.020   85.486

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.77    93.229    95.296    10.400

LGA_LOCAL      RMSD:   0.775  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.357  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.283  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.185983 * X  +  -0.644351 * Y  +  -0.741769 * Z  +   0.244932
  Y_new =  -0.968630 * X  +  -0.246880 * Y  +  -0.028407 * Z  +  21.083241
  Z_new =  -0.164824 * X  +   0.723783 * Y  +  -0.670053 * Z  +  13.079174 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.381098  0.165579  2.317666   [DEG:  -79.1311    9.4870  132.7924 ]
ZXZ: -1.532519  2.305077 -0.223907   [DEG:  -87.8068  132.0712  -12.8289 ]
 
# END of job
