
#######################################################
#                                                     #
#                        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        3.08     3.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        2.00     3.17
  LONGEST_CONTINUOUS_SEGMENT:    91       5_A - 97_A        2.00     3.16
  LCS_AVERAGE:     91.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       8_A - 55_A        0.92     3.52
  LCS_AVERAGE:     40.53

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    3   96      0    0    3    3    4    4    4    8   42   46   48   55   65   67   70   81   91   94   96   96 
LCS_GDT     K     3_A     K     3_A      3    4   96      3    3    4    4   20   34   53   57   68   76   85   90   92   93   94   94   95   95   96   96 
LCS_GDT     E     4_A     E     4_A      4   91   96      3    3    4   28   39   54   61   80   83   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R     5_A     R     5_A      4   91   96      3    3    5    5    7   12   64   80   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A     6_A     A     6_A      4   91   96      3    3    5    5    7    9   11   20   33   53   81   86   91   93   94   94   95   95   96   96 
LCS_GDT     L     7_A     L     7_A      4   91   96      3    3   24   34   44   61   79   84   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     T     8_A     T     8_A     48   91   96      9   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L     9_A     L     9_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    10_A     E    10_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    11_A     A    11_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    12_A     L    12_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    13_A     R    13_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     V    14_A     V    14_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     M    15_A     M    15_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     D    16_A     D    16_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    17_A     A    17_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     I    18_A     I    18_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     D    19_A     D    19_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    20_A     R    20_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    21_A     R    21_A     48   91   96     28   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     G    22_A     G    22_A     48   91   96     23   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     S    23_A     S    23_A     48   91   96     18   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     F    24_A     F    24_A     48   91   96     18   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    25_A     A    25_A     48   91   96     13   42   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    26_A     A    26_A     48   91   96     13   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    27_A     A    27_A     48   91   96     18   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    28_A     A    28_A     48   91   96     13   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     D    29_A     D    29_A     48   91   96     13   54   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    30_A     E    30_A     48   91   96     22   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    31_A     L    31_A     48   91   96     18   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     G    32_A     G    32_A     48   91   96     13   49   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    33_A     R    33_A     48   91   96     13   44   70   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     V    34_A     V    34_A     48   91   96     12   44   70   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     P    35_A     P    35_A     48   91   96     11   44   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     S    36_A     S    36_A     48   91   96     13   38   71   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    37_A     A    37_A     48   91   96     13   45   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    38_A     L    38_A     48   91   96     13   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     S    39_A     S    39_A     48   91   96     13   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     Y    40_A     Y    40_A     48   91   96     18   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     T    41_A     T    41_A     48   91   96     25   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     M    42_A     M    42_A     48   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     Q    43_A     Q    43_A     48   91   96     29   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     K    44_A     K    44_A     48   91   96     15   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    45_A     L    45_A     48   91   96     11   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    46_A     E    46_A     48   91   96     15   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    47_A     E    47_A     48   91   96     13   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    48_A     E    48_A     48   91   96      7   37   70   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    49_A     L    49_A     48   91   96      7   20   63   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     D    50_A     D    50_A     48   91   96     13   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     V    51_A     V    51_A     48   91   96      6   44   72   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     V    52_A     V    52_A     48   91   96     21   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    53_A     L    53_A     48   91   96     16   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     F    54_A     F    54_A     48   91   96      9   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     D    55_A     D    55_A     48   91   96      5   40   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    56_A     R    56_A     24   91   96      3    8   21   44   68   78   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     S    57_A     S    57_A      7   91   96      0    8   22   44   63   76   82   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    60_A     R    60_A     37   91   96      5   30   67   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     T    61_A     T    61_A     37   91   96     26   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     K    62_A     K    62_A     37   91   96     16   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     F    63_A     F    63_A     37   91   96     17   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     T    64_A     T    64_A     37   91   96     17   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     N    65_A     N    65_A     37   91   96     17   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     V    66_A     V    66_A     37   91   96     17   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     G    67_A     G    67_A     37   91   96     12   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    68_A     R    68_A     37   91   96     12   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     M    69_A     M    69_A     37   91   96     18   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    70_A     L    70_A     37   91   96     18   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    71_A     L    71_A     37   91   96     20   49   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    72_A     E    72_A     37   91   96      4   34   66   78   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    73_A     R    73_A     37   91   96     11   30   51   74   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     G    74_A     G    74_A     37   91   96     18   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    75_A     R    75_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     V    76_A     V    76_A     37   91   96     32   50   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    77_A     L    77_A     37   91   96     23   53   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    78_A     L    78_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    79_A     E    79_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    80_A     A    80_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    81_A     A    81_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     D    82_A     D    82_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     K    83_A     K    83_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    84_A     L    84_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     T    85_A     T    85_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     T    86_A     T    86_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     D    87_A     D    87_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    88_A     A    88_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    89_A     E    89_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    90_A     A    90_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    91_A     L    91_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     A    92_A     A    92_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     R    93_A     R    93_A     37   91   96     32   54   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     L    94_A     L    94_A     37   91   96     32   56   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     E    95_A     E    95_A     37   91   96     32   54   74   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     H    96_A     H    96_A     37   91   96     23   49   73   81   84   85   86   87   89   89   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     H    97_A     H    97_A      3   91   96      3    4    4    4    5   57   72   82   87   88   90   91   92   93   94   94   95   95   96   96 
LCS_GDT     H    98_A     H    98_A      3   90   96      1    4    4    4    5    5    6    8   57   72   78   85   91   92   94   94   95   95   96   96 
LCS_GDT     H    99_A     H    99_A      3    3   96      0    3    4    4    5    5    6    8    9   12   16   19   24   37   92   92   95   95   96   96 
LCS_AVERAGE  LCS_A:  77.48  (  40.53   91.93  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     32     56     74     81     84     85     86     87     89     89     90     91     92     93     94     94     95     95     96     96 
GDT PERCENT_AT  33.33  58.33  77.08  84.38  87.50  88.54  89.58  90.62  92.71  92.71  93.75  94.79  95.83  96.88  97.92  97.92  98.96  98.96 100.00 100.00
GDT RMS_LOCAL    0.33   0.67   0.86   0.99   1.07   1.11   1.22   1.34   1.60   1.60   1.78   1.94   2.17   2.33   2.53   2.53   2.72   2.72   3.08   3.08
GDT RMS_ALL_AT   3.26   3.28   3.28   3.28   3.29   3.28   3.28   3.28   3.23   3.23   3.19   3.16   3.13   3.12   3.09   3.09   3.09   3.09   3.08   3.08

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_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:  E    72_A      E    72_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  D    87_A      D    87_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    15.357     0    0.668   0.668    17.467    0.000    0.000
LGA    K     3_A      K     3_A    10.541     0    0.162   1.119    15.867    1.071    0.476
LGA    E     4_A      E     4_A     8.036     0    0.573   1.111     9.456    9.167    8.889
LGA    R     5_A      R     5_A     6.008     0    0.202   1.270    14.930   15.238    7.229
LGA    A     6_A      A     6_A     9.317     0    0.056   0.056    11.623    5.357    4.286
LGA    L     7_A      L     7_A     6.101     0    0.604   0.589     9.626   22.262   13.929
LGA    T     8_A      T     8_A     0.997     0    0.578   1.366     4.843   86.071   67.143
LGA    L     9_A      L     9_A     0.713     0    0.051   0.134     1.196   92.857   88.274
LGA    E    10_A      E    10_A     0.600     0    0.026   1.187     4.643   92.857   74.974
LGA    A    11_A      A    11_A     0.627     0    0.040   0.037     0.763   90.476   90.476
LGA    L    12_A      L    12_A     0.453     0    0.040   0.036     0.953  100.000   95.238
LGA    R    13_A      R    13_A     0.380     0    0.050   1.597     8.715   95.238   60.130
LGA    V    14_A      V    14_A     0.565     0    0.018   0.063     0.621   90.476   90.476
LGA    M    15_A      M    15_A     0.420     0    0.042   0.885     2.978   95.238   89.881
LGA    D    16_A      D    16_A     0.790     0    0.038   0.348     1.680   88.214   84.881
LGA    A    17_A      A    17_A     0.857     0    0.035   0.034     1.042   88.214   88.667
LGA    I    18_A      I    18_A     0.847     0    0.031   0.094     0.883   90.476   90.476
LGA    D    19_A      D    19_A     1.076     0    0.048   0.638     2.285   83.690   81.607
LGA    R    20_A      R    20_A     1.208     0    0.071   1.452     6.790   81.429   63.030
LGA    R    21_A      R    21_A     1.043     0    0.071   0.844     3.449   81.429   75.022
LGA    G    22_A      G    22_A     1.037     0    0.024   0.024     1.038   85.952   85.952
LGA    S    23_A      S    23_A     0.700     0    0.068   0.090     0.744   92.857   92.063
LGA    F    24_A      F    24_A     0.795     0    0.046   0.175     1.567   85.952   84.762
LGA    A    25_A      A    25_A     1.316     0    0.030   0.035     1.536   81.429   79.714
LGA    A    26_A      A    26_A     1.067     0    0.047   0.047     1.243   85.952   85.048
LGA    A    27_A      A    27_A     0.763     0    0.042   0.044     0.923   90.476   90.476
LGA    A    28_A      A    28_A     1.125     0    0.043   0.039     1.267   81.429   81.429
LGA    D    29_A      D    29_A     0.985     0    0.041   0.877     4.153   88.214   75.119
LGA    E    30_A      E    30_A     0.495     0    0.022   0.413     1.881   92.857   88.571
LGA    L    31_A      L    31_A     1.087     0    0.199   0.232     1.905   81.548   86.071
LGA    G    32_A      G    32_A     1.345     0    0.124   0.124     1.444   81.429   81.429
LGA    R    33_A      R    33_A     1.848     0    0.136   1.136     7.500   70.833   49.134
LGA    V    34_A      V    34_A     1.981     0    0.150   1.207     3.164   75.000   68.503
LGA    P    35_A      P    35_A     1.432     0    0.031   0.061     1.839   79.286   76.531
LGA    S    36_A      S    36_A     1.721     0    0.138   0.700     4.879   77.143   67.460
LGA    A    37_A      A    37_A     1.333     0    0.035   0.037     1.426   83.690   83.238
LGA    L    38_A      L    38_A     1.001     0    0.025   1.067     3.497   85.952   76.726
LGA    S    39_A      S    39_A     0.794     0    0.013   0.697     3.187   92.857   85.317
LGA    Y    40_A      Y    40_A     0.592     0    0.023   0.079     0.765   92.857   91.270
LGA    T    41_A      T    41_A     0.413     0    0.026   0.047     0.689  100.000   98.639
LGA    M    42_A      M    42_A     0.265     0    0.045   0.175     0.675  100.000   96.429
LGA    Q    43_A      Q    43_A     0.363     0    0.058   0.543     2.757  100.000   86.085
LGA    K    44_A      K    44_A     0.657     0    0.040   0.762     5.568   92.857   73.862
LGA    L    45_A      L    45_A     0.948     0    0.024   0.062     1.315   88.214   84.821
LGA    E    46_A      E    46_A     0.725     0    0.027   0.223     1.405   88.214   89.524
LGA    E    47_A      E    47_A     0.766     0    0.058   0.274     1.609   85.952   83.545
LGA    E    48_A      E    48_A     1.740     0    0.056   0.169     2.311   72.976   70.212
LGA    L    49_A      L    49_A     2.169     0    0.099   0.217     3.397   70.833   64.048
LGA    D    50_A      D    50_A     1.108     0    0.097   0.814     3.048   79.286   73.452
LGA    V    51_A      V    51_A     1.632     0    0.073   0.136     3.967   77.143   65.578
LGA    V    52_A      V    52_A     0.934     0    0.053   0.064     1.854   85.952   80.340
LGA    L    53_A      L    53_A     0.463     0    0.083   0.117     0.568  100.000   97.619
LGA    F    54_A      F    54_A     0.938     0    0.057   0.120     1.460   85.952   83.074
LGA    D    55_A      D    55_A     1.453     0    0.044   0.523     2.622   71.190   75.298
LGA    R    56_A      R    56_A     4.515     0    0.528   0.998    10.862   37.500   19.481
LGA    S    57_A      S    57_A     5.332     0    0.130   0.190     7.222   25.000   21.190
LGA    R    60_A      R    60_A     2.284     6    0.045   0.041     3.314   63.095   30.346
LGA    T    61_A      T    61_A     0.526     0    0.157   0.933     3.722   92.976   84.014
LGA    K    62_A      K    62_A     0.713     0    0.118   1.010     3.389   90.476   79.471
LGA    F    63_A      F    63_A     0.827     0    0.068   0.511     2.009   90.476   84.156
LGA    T    64_A      T    64_A     0.381     0    0.095   0.089     0.840   97.619   95.918
LGA    N    65_A      N    65_A     0.544     0    0.066   0.213     0.937   92.857   91.667
LGA    V    66_A      V    66_A     0.622     0    0.029   0.063     1.345   95.238   91.905
LGA    G    67_A      G    67_A     0.685     0    0.046   0.046     0.687   90.476   90.476
LGA    R    68_A      R    68_A     0.845     0    0.057   0.851     4.043   88.214   68.701
LGA    M    69_A      M    69_A     1.130     0    0.038   0.901     3.970   83.690   75.655
LGA    L    70_A      L    70_A     1.015     0    0.048   1.389     3.396   83.690   76.607
LGA    L    71_A      L    71_A     1.319     0    0.093   0.156     1.536   79.286   78.214
LGA    E    72_A      E    72_A     2.477     0    0.041   0.947     3.675   64.881   55.132
LGA    R    73_A      R    73_A     2.850     0    0.124   0.965     9.628   62.857   32.078
LGA    G    74_A      G    74_A     1.165     0    0.064   0.064     1.540   83.810   83.810
LGA    R    75_A      R    75_A     0.805     0    0.064   1.056     3.284   90.476   77.489
LGA    V    76_A      V    76_A     1.454     0    0.030   0.065     2.239   81.429   75.442
LGA    L    77_A      L    77_A     1.249     0    0.012   0.922     3.614   85.952   75.893
LGA    L    78_A      L    78_A     0.429     0    0.033   0.088     0.697   97.619   97.619
LGA    E    79_A      E    79_A     0.721     0    0.017   0.943     3.692   90.476   73.968
LGA    A    80_A      A    80_A     1.090     0    0.041   0.042     1.528   88.214   85.143
LGA    A    81_A      A    81_A     0.735     0    0.037   0.034     0.922   95.238   94.286
LGA    D    82_A      D    82_A     0.395     0    0.026   0.266     0.922  100.000   95.238
LGA    K    83_A      K    83_A     0.555     0    0.021   1.151     5.686   97.619   74.339
LGA    L    84_A      L    84_A     0.594     0    0.022   1.423     3.828   97.619   82.738
LGA    T    85_A      T    85_A     0.467     0    0.020   0.038     0.823   97.619   94.558
LGA    T    86_A      T    86_A     0.484     0    0.013   0.042     0.956  100.000   95.918
LGA    D    87_A      D    87_A     0.331     0    0.030   0.127     1.263  100.000   94.107
LGA    A    88_A      A    88_A     0.951     0    0.024   0.024     1.186   88.214   86.857
LGA    E    89_A      E    89_A     1.143     0    0.042   0.978     3.768   85.952   67.989
LGA    A    90_A      A    90_A     0.450     0    0.028   0.027     0.651   95.238   96.190
LGA    L    91_A      L    91_A     0.840     0    0.016   1.416     3.515   85.952   74.821
LGA    A    92_A      A    92_A     1.412     0    0.038   0.039     1.662   79.286   79.714
LGA    R    93_A      R    93_A     1.576     0    0.030   1.448     5.466   75.000   61.732
LGA    L    94_A      L    94_A     1.263     0    0.140   0.146     2.237   75.119   82.798
LGA    E    95_A      E    95_A     1.798     0    0.225   0.934     4.990   69.048   54.444
LGA    H    96_A      H    96_A     2.091     0    0.452   0.989     9.569   53.095   29.619
LGA    H    97_A      H    97_A     8.119     0    0.596   1.471    10.468    9.167    5.619
LGA    H    98_A      H    98_A    10.819     0    0.602   1.290    12.702    0.119    0.048
LGA    H    99_A      H    99_A    11.082     0    0.615   0.639    12.796    0.000    1.381

# 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):     3.081          3.058                  3.731           77.861   71.283

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     87    1.34    82.812    87.858     6.032

LGA_LOCAL      RMSD:   1.342  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.282  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   3.081  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.058315 * X  +  -0.918545 * Y  +   0.390992 * Z  +  46.053276
  Y_new =   0.852673 * X  +  -0.249518 * Y  +  -0.459009 * Z  +  35.988976
  Z_new =   0.519180 * X  +   0.306621 * Y  +   0.797769 * Z  + -20.763378 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.639081 -0.545891  0.366941   [DEG:   93.9124  -31.2773   21.0242 ]
ZXZ:  0.705548  0.647210  1.037327   [DEG:   40.4249   37.0824   59.4345 ]
 
# END of job
