
#######################################################
#                                                     #
#                        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        2.50     2.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       2_A - 97_A        1.68     2.57
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.78     2.52
  LCS_AVERAGE:     96.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       3_A - 96_A        0.91     2.60
  LCS_AVERAGE:     91.98

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   94   96      0    4    4    4    4    6    6   11   11   18   48   78   92   93   93   93   93   93   93   95 
LCS_GDT     K     3_A     K     3_A     92   94   96      3    4    4    4    5   13   72   87   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E     4_A     E     4_A     92   94   96      3   11   47   89   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R     5_A     R     5_A     92   94   96      3   83   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A     6_A     A     6_A     92   94   96     30   84   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L     7_A     L     7_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     T     8_A     T     8_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L     9_A     L     9_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    10_A     E    10_A     92   94   96     59   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    11_A     A    11_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    12_A     L    12_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    13_A     R    13_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     V    14_A     V    14_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     M    15_A     M    15_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     D    16_A     D    16_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    17_A     A    17_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     I    18_A     I    18_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     D    19_A     D    19_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    20_A     R    20_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    21_A     R    21_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     G    22_A     G    22_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     S    23_A     S    23_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     F    24_A     F    24_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    25_A     A    25_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    26_A     A    26_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    27_A     A    27_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    28_A     A    28_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     D    29_A     D    29_A     92   94   96     59   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    30_A     E    30_A     92   94   96     59   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    31_A     L    31_A     92   94   96     50   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     G    32_A     G    32_A     92   94   96     47   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    33_A     R    33_A     92   94   96     47   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     V    34_A     V    34_A     92   94   96     47   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     P    35_A     P    35_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     S    36_A     S    36_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    37_A     A    37_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    38_A     L    38_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     S    39_A     S    39_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     Y    40_A     Y    40_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     T    41_A     T    41_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     M    42_A     M    42_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     Q    43_A     Q    43_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     K    44_A     K    44_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    45_A     L    45_A     92   94   96     21   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    46_A     E    46_A     92   94   96     58   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    47_A     E    47_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    48_A     E    48_A     92   94   96     17   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    49_A     L    49_A     92   94   96     55   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     D    50_A     D    50_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     V    51_A     V    51_A     92   94   96     59   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     V    52_A     V    52_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    53_A     L    53_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     F    54_A     F    54_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     D    55_A     D    55_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    56_A     R    56_A     92   94   96      3   73   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     S    57_A     S    57_A     92   94   96     30   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    60_A     R    60_A     92   94   96     37   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     T    61_A     T    61_A     92   94   96      9   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     K    62_A     K    62_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     F    63_A     F    63_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     T    64_A     T    64_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     N    65_A     N    65_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     V    66_A     V    66_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     G    67_A     G    67_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    68_A     R    68_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     M    69_A     M    69_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    70_A     L    70_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    71_A     L    71_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    72_A     E    72_A     92   94   96     43   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    73_A     R    73_A     92   94   96     58   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     G    74_A     G    74_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    75_A     R    75_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     V    76_A     V    76_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    77_A     L    77_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    78_A     L    78_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    79_A     E    79_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    80_A     A    80_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    81_A     A    81_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     D    82_A     D    82_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     K    83_A     K    83_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    84_A     L    84_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     T    85_A     T    85_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     T    86_A     T    86_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     D    87_A     D    87_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    88_A     A    88_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    89_A     E    89_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    90_A     A    90_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    91_A     L    91_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     A    92_A     A    92_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     R    93_A     R    93_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     L    94_A     L    94_A     92   94   96     66   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     E    95_A     E    95_A     92   94   96     53   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     H    96_A     H    96_A     92   94   96      9   86   90   90   91   91   91   91   92   92   92   92   92   93   93   94   94   94   94   95 
LCS_GDT     H    97_A     H    97_A      3   94   96      3    4    4    4    5    5    7   10   15   23   86   92   92   93   93   94   94   94   94   95 
LCS_GDT     H    98_A     H    98_A      3   94   96      3    4    4    4    5    5    7    8   10   12   15   19   22   29   41   94   94   94   94   95 
LCS_GDT     H    99_A     H    99_A      3    4   96      3    3    3    3    5    5    7    8    9   11   13   16   16   17   23   26   35   49   69   94 
LCS_AVERAGE  LCS_A:  96.31  (  91.98   96.94  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     66     86     90     90     91     91     91     91     92     92     92     92     92     93     93     94     94     94     94     95 
GDT PERCENT_AT  68.75  89.58  93.75  93.75  94.79  94.79  94.79  94.79  95.83  95.83  95.83  95.83  95.83  96.88  96.88  97.92  97.92  97.92  97.92  98.96
GDT RMS_LOCAL    0.32   0.46   0.53   0.53   0.62   0.62   0.62   0.62   0.91   0.91   0.91   0.91   0.91   1.27   1.27   1.78   1.78   1.78   1.78   2.09
GDT RMS_ALL_AT   2.64   2.61   2.60   2.60   2.60   2.60   2.60   2.60   2.60   2.60   2.60   2.60   2.60   2.56   2.56   2.52   2.52   2.52   2.52   2.52

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  D    29_A      D    29_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    79_A      E    79_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    10.921     0    0.429   0.424    12.120    0.476    0.381
LGA    K     3_A      K     3_A     6.553     0    0.027   1.346    13.788   28.452   13.915
LGA    E     4_A      E     4_A     3.012     0    0.560   1.118     9.662   53.810   28.307
LGA    R     5_A      R     5_A     1.367     0    0.119   0.680     5.729   77.143   51.558
LGA    A     6_A      A     6_A     1.163     0    0.030   0.041     1.559   81.548   81.524
LGA    L     7_A      L     7_A     0.555     0    0.052   0.080     0.652   92.857   94.048
LGA    T     8_A      T     8_A     0.365     0    0.032   0.046     0.791  100.000   95.918
LGA    L     9_A      L     9_A     0.332     0    0.013   0.070     0.522  100.000   97.619
LGA    E    10_A      E    10_A     0.666     0    0.066   0.936     3.018   95.238   82.275
LGA    A    11_A      A    11_A     0.460     0    0.034   0.051     0.520   97.619   98.095
LGA    L    12_A      L    12_A     0.163     0    0.042   0.047     0.268  100.000  100.000
LGA    R    13_A      R    13_A     0.240     0    0.025   0.156     1.437  100.000   91.515
LGA    V    14_A      V    14_A     0.335     0    0.035   0.050     0.407  100.000  100.000
LGA    M    15_A      M    15_A     0.288     0    0.014   0.873     3.005  100.000   93.750
LGA    D    16_A      D    16_A     0.244     0    0.019   0.086     0.635  100.000   96.429
LGA    A    17_A      A    17_A     0.286     0    0.029   0.039     0.422  100.000  100.000
LGA    I    18_A      I    18_A     0.148     0    0.021   0.042     0.205  100.000  100.000
LGA    D    19_A      D    19_A     0.178     0    0.022   0.121     0.542  100.000   98.810
LGA    R    20_A      R    20_A     0.249     0    0.049   0.748     2.919  100.000   92.684
LGA    R    21_A      R    21_A     0.368     0    0.022   1.225     3.957  100.000   85.844
LGA    G    22_A      G    22_A     0.396     0    0.037   0.037     0.396  100.000  100.000
LGA    S    23_A      S    23_A     0.179     0    0.050   0.051     0.184  100.000  100.000
LGA    F    24_A      F    24_A     0.277     0    0.017   0.253     0.820  100.000   98.268
LGA    A    25_A      A    25_A     0.451     0    0.023   0.031     0.516  100.000   98.095
LGA    A    26_A      A    26_A     0.266     0    0.019   0.025     0.353  100.000  100.000
LGA    A    27_A      A    27_A     0.258     0    0.022   0.023     0.466  100.000  100.000
LGA    A    28_A      A    28_A     0.429     0    0.031   0.045     0.622   95.238   96.190
LGA    D    29_A      D    29_A     0.567     0    0.044   0.729     2.439   90.476   85.119
LGA    E    30_A      E    30_A     0.517     0    0.017   0.432     1.196   92.857   92.646
LGA    L    31_A      L    31_A     0.586     0    0.023   0.074     0.680   90.476   90.476
LGA    G    32_A      G    32_A     0.812     0    0.065   0.065     1.019   88.214   88.214
LGA    R    33_A      R    33_A     0.783     0    0.028   1.240     6.875   90.476   67.100
LGA    V    34_A      V    34_A     0.790     0    0.047   0.090     0.929   90.476   90.476
LGA    P    35_A      P    35_A     0.346     0    0.028   0.034     0.722   97.619   95.918
LGA    S    36_A      S    36_A     0.452     0    0.103   0.634     3.487  100.000   90.079
LGA    A    37_A      A    37_A     0.321     0    0.032   0.039     0.394  100.000  100.000
LGA    L    38_A      L    38_A     0.203     0    0.027   1.272     3.017  100.000   88.155
LGA    S    39_A      S    39_A     0.212     0    0.035   0.042     0.421  100.000  100.000
LGA    Y    40_A      Y    40_A     0.186     0    0.018   0.039     0.330  100.000  100.000
LGA    T    41_A      T    41_A     0.191     0    0.008   0.047     0.241  100.000  100.000
LGA    M    42_A      M    42_A     0.253     0    0.016   0.080     0.399  100.000  100.000
LGA    Q    43_A      Q    43_A     0.264     0    0.077   0.897     4.750  100.000   80.688
LGA    K    44_A      K    44_A     0.402     0    0.037   0.729     4.713   95.238   79.683
LGA    L    45_A      L    45_A     0.702     0    0.017   0.040     1.024   90.476   89.345
LGA    E    46_A      E    46_A     0.608     0    0.040   0.153     1.020   90.476   89.471
LGA    E    47_A      E    47_A     0.455     0    0.038   0.205     0.796   92.857   94.709
LGA    E    48_A      E    48_A     0.685     0    0.060   0.197     0.908   90.476   92.593
LGA    L    49_A      L    49_A     0.751     0    0.012   0.110     1.026   90.476   89.345
LGA    D    50_A      D    50_A     0.436     0    0.018   0.203     0.581   92.857   95.238
LGA    V    51_A      V    51_A     0.652     0    0.068   0.088     1.057   90.476   89.184
LGA    V    52_A      V    52_A     0.598     0    0.013   0.047     0.909   95.238   93.197
LGA    L    53_A      L    53_A     0.357     0    0.052   0.070     1.089  100.000   94.107
LGA    F    54_A      F    54_A     0.204     0    0.104   0.103     0.600   97.619   99.134
LGA    D    55_A      D    55_A     0.421     0    0.054   0.417     1.034   95.238   91.726
LGA    R    56_A      R    56_A     1.698     0    0.089   0.429     6.220   75.119   52.814
LGA    S    57_A      S    57_A     1.051     0    0.641   0.573     3.728   72.024   76.667
LGA    R    60_A      R    60_A     1.045     6    0.162   0.218     1.493   83.690   37.835
LGA    T    61_A      T    61_A     1.058     0    0.004   0.178     1.271   85.952   84.014
LGA    K    62_A      K    62_A     0.185     0    0.037   0.925     3.521   97.619   86.032
LGA    F    63_A      F    63_A     0.140     0    0.027   0.151     0.482  100.000  100.000
LGA    T    64_A      T    64_A     0.296     0    0.013   0.038     0.463  100.000  100.000
LGA    N    65_A      N    65_A     0.324     0    0.029   0.876     3.615  100.000   84.107
LGA    V    66_A      V    66_A     0.347     0    0.035   0.077     0.533   97.619   98.639
LGA    G    67_A      G    67_A     0.542     0    0.050   0.050     0.546   92.857   92.857
LGA    R    68_A      R    68_A     0.597     0    0.071   1.209     5.360   92.857   76.710
LGA    M    69_A      M    69_A     0.492     0    0.023   1.094     3.273   95.238   89.048
LGA    L    70_A      L    70_A     0.453     0    0.015   0.837     2.012  100.000   91.190
LGA    L    71_A      L    71_A     0.516     0    0.021   0.070     0.648   92.857   94.048
LGA    E    72_A      E    72_A     0.671     0    0.006   0.091     1.306   90.476   86.455
LGA    R    73_A      R    73_A     0.565     0    0.046   1.197     3.792   97.619   84.719
LGA    G    74_A      G    74_A     0.281     0    0.074   0.074     0.281  100.000  100.000
LGA    R    75_A      R    75_A     0.088     0    0.073   0.159     0.595  100.000   99.134
LGA    V    76_A      V    76_A     0.269     0    0.014   0.024     0.338  100.000  100.000
LGA    L    77_A      L    77_A     0.355     0    0.032   0.906     3.055   97.619   89.048
LGA    L    78_A      L    78_A     0.337     0    0.040   0.091     0.530  100.000   98.810
LGA    E    79_A      E    79_A     0.303     0    0.030   0.198     0.743  100.000   97.884
LGA    A    80_A      A    80_A     0.307     0    0.034   0.040     0.456  100.000  100.000
LGA    A    81_A      A    81_A     0.306     0    0.039   0.048     0.306  100.000  100.000
LGA    D    82_A      D    82_A     0.346     0    0.036   0.904     3.042  100.000   85.000
LGA    K    83_A      K    83_A     0.346     0    0.034   0.144     0.983  100.000   96.825
LGA    L    84_A      L    84_A     0.318     0    0.022   0.114     0.443  100.000  100.000
LGA    T    85_A      T    85_A     0.351     0    0.021   0.063     0.602  100.000   98.639
LGA    T    86_A      T    86_A     0.358     0    0.014   0.031     0.465  100.000  100.000
LGA    D    87_A      D    87_A     0.263     0    0.018   0.083     0.369  100.000  100.000
LGA    A    88_A      A    88_A     0.329     0    0.019   0.027     0.349  100.000  100.000
LGA    E    89_A      E    89_A     0.369     0    0.012   0.261     1.324  100.000   96.878
LGA    A    90_A      A    90_A     0.426     0    0.021   0.031     0.480  100.000  100.000
LGA    L    91_A      L    91_A     0.402     0    0.045   0.098     0.785   97.619   95.238
LGA    A    92_A      A    92_A     0.348     0    0.016   0.022     0.404  100.000  100.000
LGA    R    93_A      R    93_A     0.360     0    0.025   1.364     5.500   97.619   79.654
LGA    L    94_A      L    94_A     0.439     0    0.122   0.140     0.920   95.238   97.619
LGA    E    95_A      E    95_A     0.740     0    0.202   0.288     2.117   81.786   88.730
LGA    H    96_A      H    96_A     1.223     0    0.419   0.410     7.987   61.667   42.476
LGA    H    97_A      H    97_A     8.679     0    0.674   1.234    11.147    6.071    3.667
LGA    H    98_A      H    98_A    12.731     0    0.687   0.667    17.195    0.000    0.000
LGA    H    99_A      H    99_A    14.627     0    0.582   1.439    15.930    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):     2.504          2.539                  3.152           90.583   86.110

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.62    94.010    95.210    12.604

LGA_LOCAL      RMSD:   0.622  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.600  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.504  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.912427 * X  +  -0.260390 * Y  +   0.315712 * Z  +   1.554531
  Y_new =  -0.370445 * X  +  -0.853378 * Y  +   0.366765 * Z  +  22.641756
  Z_new =   0.173920 * X  +  -0.451600 * Y  +  -0.875106 * Z  +  13.726385 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.385667 -0.174809 -2.665186   [DEG:  -22.0971  -10.0158 -152.7039 ]
ZXZ:  2.430861  2.636450  2.773980   [DEG:  139.2780  151.0575  158.9373 ]
 
# END of job
