
#######################################################
#                                                     #
#                        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        2.39     2.39
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95       2_A - 98_A        1.98     2.40
  LCS_AVERAGE:     97.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       3_A - 96_A        0.87     2.49
  LONGEST_CONTINUOUS_SEGMENT:    92       4_A - 97_A        1.00     2.45
  LCS_AVERAGE:     92.95

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   95   96      0    3    4    4    4    4    6    7   20   51   85   88   93   93   93   93   94   94   95   95 
LCS_GDT     K     3_A     K     3_A     92   95   96      3    3    4    4    4    4   11   61   82   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E     4_A     E     4_A     92   95   96     62   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R     5_A     R     5_A     92   95   96     21   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A     6_A     A     6_A     92   95   96     48   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L     7_A     L     7_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     T     8_A     T     8_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L     9_A     L     9_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    10_A     E    10_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    11_A     A    11_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    12_A     L    12_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    13_A     R    13_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     V    14_A     V    14_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     M    15_A     M    15_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     D    16_A     D    16_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    17_A     A    17_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     I    18_A     I    18_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     D    19_A     D    19_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    20_A     R    20_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    21_A     R    21_A     92   95   96     52   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     G    22_A     G    22_A     92   95   96     52   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     S    23_A     S    23_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     F    24_A     F    24_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    25_A     A    25_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    26_A     A    26_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    27_A     A    27_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    28_A     A    28_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     D    29_A     D    29_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    30_A     E    30_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    31_A     L    31_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     G    32_A     G    32_A     92   95   96     62   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    33_A     R    33_A     92   95   96     62   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     V    34_A     V    34_A     92   95   96     63   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     P    35_A     P    35_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     S    36_A     S    36_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    37_A     A    37_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    38_A     L    38_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     S    39_A     S    39_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     Y    40_A     Y    40_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     T    41_A     T    41_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     M    42_A     M    42_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     Q    43_A     Q    43_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     K    44_A     K    44_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    45_A     L    45_A     92   95   96     25   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    46_A     E    46_A     92   95   96     60   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    47_A     E    47_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    48_A     E    48_A     92   95   96     25   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    49_A     L    49_A     92   95   96     25   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     D    50_A     D    50_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     V    51_A     V    51_A     92   95   96     60   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     V    52_A     V    52_A     92   95   96     60   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    53_A     L    53_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     F    54_A     F    54_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     D    55_A     D    55_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    56_A     R    56_A     92   95   96      5   77   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     S    57_A     S    57_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    60_A     R    60_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     T    61_A     T    61_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     K    62_A     K    62_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     F    63_A     F    63_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     T    64_A     T    64_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     N    65_A     N    65_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     V    66_A     V    66_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     G    67_A     G    67_A     92   95   96     61   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    68_A     R    68_A     92   95   96     60   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     M    69_A     M    69_A     92   95   96     54   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    70_A     L    70_A     92   95   96     54   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    71_A     L    71_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    72_A     E    72_A     92   95   96     21   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    73_A     R    73_A     92   95   96     47   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     G    74_A     G    74_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    75_A     R    75_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     V    76_A     V    76_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    77_A     L    77_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    78_A     L    78_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    79_A     E    79_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    80_A     A    80_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    81_A     A    81_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     D    82_A     D    82_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     K    83_A     K    83_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    84_A     L    84_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     T    85_A     T    85_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     T    86_A     T    86_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     D    87_A     D    87_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    88_A     A    88_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    89_A     E    89_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    90_A     A    90_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    91_A     L    91_A     92   95   96     65   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     A    92_A     A    92_A     92   95   96     62   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     R    93_A     R    93_A     92   95   96     63   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     L    94_A     L    94_A     92   95   96     63   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     E    95_A     E    95_A     92   95   96     39   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     H    96_A     H    96_A     92   95   96     14   89   91   91   91   91   91   91   91   92   92   92   93   93   93   94   94   94   95   95 
LCS_GDT     H    97_A     H    97_A     92   95   96      3    4    4    4    5    5    7   10   18   27   76   92   92   93   93   94   94   94   95   95 
LCS_GDT     H    98_A     H    98_A      3   95   96      3    4    4    4    5    5    7    9   11   15   17   21   24   34   64   94   94   94   95   95 
LCS_GDT     H    99_A     H    99_A      3    4   96      3    3    3    3    5    5    7    9   11   13   15   16   17   20   24   26   45   69   93   95 
LCS_AVERAGE  LCS_A:  96.97  (  92.95   97.97  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     65     89     91     91     91     91     91     91     91     92     92     92     93     93     93     94     94     94     95     95 
GDT PERCENT_AT  67.71  92.71  94.79  94.79  94.79  94.79  94.79  94.79  94.79  95.83  95.83  95.83  96.88  96.88  96.88  97.92  97.92  97.92  98.96  98.96
GDT RMS_LOCAL    0.32   0.45   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.87   0.87   0.87   1.29   1.29   1.24   1.73   1.56   1.56   1.98   1.98
GDT RMS_ALL_AT   2.51   2.49   2.48   2.48   2.48   2.48   2.48   2.48   2.48   2.49   2.49   2.49   2.50   2.50   2.45   2.41   2.45   2.45   2.40   2.40

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  Y    40_A      Y    40_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:  F    63_A      F    63_A
#   possible swapping detected:  E    72_A      E    72_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     9.471     0    0.392   0.385    10.504    2.262    1.905
LGA    K     3_A      K     3_A     7.035     0    0.255   1.224    16.130   19.405    9.153
LGA    E     4_A      E     4_A     0.692     0    0.615   1.215     8.306   79.881   47.884
LGA    R     5_A      R     5_A     1.070     0    0.046   0.576     2.499   88.214   74.762
LGA    A     6_A      A     6_A     0.735     0    0.027   0.026     0.989   90.476   90.476
LGA    L     7_A      L     7_A     0.396     0    0.128   0.153     0.730   97.619   97.619
LGA    T     8_A      T     8_A     0.215     0    0.035   0.060     0.451  100.000  100.000
LGA    L     9_A      L     9_A     0.473     0    0.019   0.081     0.652   97.619   94.048
LGA    E    10_A      E    10_A     0.592     0    0.058   0.919     3.153   97.619   83.333
LGA    A    11_A      A    11_A     0.340     0    0.031   0.047     0.414  100.000  100.000
LGA    L    12_A      L    12_A     0.249     0    0.046   0.045     0.421  100.000  100.000
LGA    R    13_A      R    13_A     0.311     0    0.028   0.144     1.104  100.000   93.983
LGA    V    14_A      V    14_A     0.334     0    0.029   0.046     0.427  100.000  100.000
LGA    M    15_A      M    15_A     0.311     0    0.016   0.874     2.726  100.000   93.452
LGA    D    16_A      D    16_A     0.284     0    0.044   0.109     0.745  100.000   97.619
LGA    A    17_A      A    17_A     0.295     0    0.028   0.039     0.396  100.000  100.000
LGA    I    18_A      I    18_A     0.280     0    0.020   0.035     0.328  100.000  100.000
LGA    D    19_A      D    19_A     0.271     0    0.026   0.115     0.677  100.000   98.810
LGA    R    20_A      R    20_A     0.280     0    0.054   0.925     3.047  100.000   90.346
LGA    R    21_A      R    21_A     0.667     0    0.020   0.740     3.292   90.476   84.372
LGA    G    22_A      G    22_A     0.749     0    0.038   0.038     0.749   90.476   90.476
LGA    S    23_A      S    23_A     0.479     0    0.047   0.050     0.523   97.619   96.825
LGA    F    24_A      F    24_A     0.377     0    0.018   0.219     0.891  100.000   97.403
LGA    A    25_A      A    25_A     0.337     0    0.018   0.026     0.459  100.000  100.000
LGA    A    26_A      A    26_A     0.259     0    0.035   0.033     0.490  100.000  100.000
LGA    A    27_A      A    27_A     0.181     0    0.024   0.023     0.256  100.000  100.000
LGA    A    28_A      A    28_A     0.156     0    0.028   0.042     0.269  100.000  100.000
LGA    D    29_A      D    29_A     0.188     0    0.042   0.765     2.838  100.000   93.452
LGA    E    30_A      E    30_A     0.319     0    0.017   0.037     0.740   97.619   94.709
LGA    L    31_A      L    31_A     0.358     0    0.029   0.079     0.430  100.000  100.000
LGA    G    32_A      G    32_A     0.570     0    0.059   0.059     0.742   90.476   90.476
LGA    R    33_A      R    33_A     0.530     0    0.024   1.220     6.299   92.857   70.693
LGA    V    34_A      V    34_A     0.485     0    0.047   0.090     0.650   97.619   94.558
LGA    P    35_A      P    35_A     0.085     0    0.020   0.028     0.402  100.000  100.000
LGA    S    36_A      S    36_A     0.429     0    0.097   0.629     3.318  100.000   90.079
LGA    A    37_A      A    37_A     0.149     0    0.027   0.037     0.197  100.000  100.000
LGA    L    38_A      L    38_A     0.048     0    0.030   1.282     2.972  100.000   89.048
LGA    S    39_A      S    39_A     0.169     0    0.036   0.037     0.265  100.000  100.000
LGA    Y    40_A      Y    40_A     0.193     0    0.021   0.047     0.260  100.000  100.000
LGA    T    41_A      T    41_A     0.187     0    0.008   0.045     0.283  100.000  100.000
LGA    M    42_A      M    42_A     0.289     0    0.022   0.084     0.447  100.000  100.000
LGA    Q    43_A      Q    43_A     0.278     0    0.091   0.147     1.367  100.000   92.751
LGA    K    44_A      K    44_A     0.314     0    0.035   0.743     4.933   97.619   80.741
LGA    L    45_A      L    45_A     0.673     0    0.014   0.033     1.020   92.857   90.536
LGA    E    46_A      E    46_A     0.551     0    0.036   0.155     0.977   90.476   90.476
LGA    E    47_A      E    47_A     0.411     0    0.050   0.213     0.996   95.238   94.709
LGA    E    48_A      E    48_A     0.639     0    0.045   0.184     0.889   90.476   93.651
LGA    L    49_A      L    49_A     0.710     0    0.019   0.112     1.035   90.476   89.345
LGA    D    50_A      D    50_A     0.370     0    0.037   0.167     0.499  100.000  100.000
LGA    V    51_A      V    51_A     0.563     0    0.059   0.073     0.853   92.857   91.837
LGA    V    52_A      V    52_A     0.598     0    0.025   0.063     0.798   95.238   93.197
LGA    L    53_A      L    53_A     0.412     0    0.048   0.064     0.961  100.000   95.238
LGA    F    54_A      F    54_A     0.114     0    0.092   0.084     0.334  100.000  100.000
LGA    D    55_A      D    55_A     0.121     0    0.068   0.446     0.990   95.238   95.238
LGA    R    56_A      R    56_A     1.498     0    0.077   0.348     4.304   79.286   63.463
LGA    S    57_A      S    57_A     0.435     0    0.662   0.586     3.418   82.857   88.571
LGA    R    60_A      R    60_A     0.548     6    0.143   0.194     1.055   90.595   41.169
LGA    T    61_A      T    61_A     0.523     0    0.020   0.228     0.780   95.238   95.918
LGA    K    62_A      K    62_A     0.076     0    0.007   0.913     3.660  100.000   87.090
LGA    F    63_A      F    63_A     0.141     0    0.028   0.173     0.840  100.000   96.537
LGA    T    64_A      T    64_A     0.377     0    0.007   0.038     0.511  100.000   98.639
LGA    N    65_A      N    65_A     0.370     0    0.033   0.222     0.950  100.000   98.810
LGA    V    66_A      V    66_A     0.360     0    0.019   0.066     0.446  100.000  100.000
LGA    G    67_A      G    67_A     0.540     0    0.047   0.047     0.540   92.857   92.857
LGA    R    68_A      R    68_A     0.586     0    0.087   0.825     3.414   92.857   76.190
LGA    M    69_A      M    69_A     0.555     0    0.017   1.105     3.340   90.476   85.476
LGA    L    70_A      L    70_A     0.585     0    0.013   1.352     2.655   92.857   82.202
LGA    L    71_A      L    71_A     0.473     0    0.028   0.068     0.748   95.238   94.048
LGA    E    72_A      E    72_A     0.718     0    0.006   0.088     1.376   90.476   86.455
LGA    R    73_A      R    73_A     0.827     0    0.038   0.243     1.728   90.476   83.939
LGA    G    74_A      G    74_A     0.444     0    0.084   0.084     0.478  100.000  100.000
LGA    R    75_A      R    75_A     0.142     0    0.083   0.145     0.510   97.619   99.134
LGA    V    76_A      V    76_A     0.491     0    0.025   0.033     0.612   95.238   94.558
LGA    L    77_A      L    77_A     0.587     0    0.031   0.917     3.102   90.476   83.214
LGA    L    78_A      L    78_A     0.427     0    0.070   0.113     0.545   97.619   97.619
LGA    E    79_A      E    79_A     0.337     0    0.016   0.907     2.936  100.000   81.799
LGA    A    80_A      A    80_A     0.516     0    0.039   0.045     0.703   97.619   96.190
LGA    A    81_A      A    81_A     0.458     0    0.025   0.036     0.473  100.000  100.000
LGA    D    82_A      D    82_A     0.337     0    0.034   0.188     0.898  100.000   98.810
LGA    K    83_A      K    83_A     0.300     0    0.041   0.392     1.409  100.000   96.878
LGA    L    84_A      L    84_A     0.342     0    0.025   0.098     0.596  100.000   97.619
LGA    T    85_A      T    85_A     0.359     0    0.009   0.056     0.595  100.000   98.639
LGA    T    86_A      T    86_A     0.153     0    0.013   0.037     0.306  100.000  100.000
LGA    D    87_A      D    87_A     0.050     0    0.023   0.085     0.551  100.000   98.810
LGA    A    88_A      A    88_A     0.312     0    0.019   0.030     0.372  100.000  100.000
LGA    E    89_A      E    89_A     0.374     0    0.013   0.313     1.575  100.000   94.868
LGA    A    90_A      A    90_A     0.309     0    0.020   0.032     0.403  100.000  100.000
LGA    L    91_A      L    91_A     0.371     0    0.042   0.123     0.870   97.619   95.238
LGA    A    92_A      A    92_A     0.529     0    0.019   0.030     0.615   92.857   92.381
LGA    R    93_A      R    93_A     0.453     0    0.019   1.330     4.780   97.619   81.905
LGA    L    94_A      L    94_A     0.490     0    0.103   0.126     0.824   95.238   97.619
LGA    E    95_A      E    95_A     0.885     0    0.223   0.230     2.239   81.786   89.788
LGA    H    96_A      H    96_A     1.171     0    0.415   0.389     8.044   63.095   42.381
LGA    H    97_A      H    97_A     8.588     0    0.682   1.234    10.868    6.190    3.524
LGA    H    98_A      H    98_A    12.434     0    0.681   1.160    15.938    0.000    0.000
LGA    H    99_A      H    99_A    14.224     0    0.566   1.172    15.520    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):     2.389          2.428                  2.998           91.426   87.349

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.49    95.052    95.851    15.523

LGA_LOCAL      RMSD:   0.486  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.482  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.389  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.006607 * X  +   0.831580 * Y  +  -0.555365 * Z  +   0.524331
  Y_new =   0.078484 * X  +   0.553233 * Y  +   0.829321 * Z  +  19.946857
  Z_new =   0.996893 * X  +  -0.049066 * Y  +  -0.061611 * Z  +  12.052003 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.486815 -1.491953 -2.469055   [DEG:   85.1882  -85.4826 -141.4664 ]
ZXZ: -2.551519  1.632446  1.619976   [DEG: -146.1913   93.5323   92.8178 ]
 
# END of job
