
#######################################################
#                                                     #
#                        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        2.35     2.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95       2_A - 98_A        1.96     2.36
  LCS_AVERAGE:     97.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       3_A - 96_A        0.86     2.45
  LCS_AVERAGE:     92.93

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    6    6   13   33   76   86   92   93   93   93   93   94   95   95   95 
LCS_GDT     K     3_A     K     3_A     92   95   96      3    3    4    4    4    6   38   80   85   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E     4_A     E     4_A     92   95   96     32   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R     5_A     R     5_A     92   95   96     22   79   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A     6_A     A     6_A     92   95   96     40   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L     7_A     L     7_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T     8_A     T     8_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L     9_A     L     9_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    10_A     E    10_A     92   95   96     61   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    11_A     A    11_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    12_A     L    12_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    13_A     R    13_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    14_A     V    14_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     M    15_A     M    15_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    16_A     D    16_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    17_A     A    17_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     I    18_A     I    18_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    19_A     D    19_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    20_A     R    20_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    21_A     R    21_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    22_A     G    22_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    23_A     S    23_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     F    24_A     F    24_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    25_A     A    25_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    26_A     A    26_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    27_A     A    27_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    28_A     A    28_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    29_A     D    29_A     92   95   96     64   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    30_A     E    30_A     92   95   96     64   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    31_A     L    31_A     92   95   96     57   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    32_A     G    32_A     92   95   96     42   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    33_A     R    33_A     92   95   96     37   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    34_A     V    34_A     92   95   96     42   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     P    35_A     P    35_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    36_A     S    36_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    37_A     A    37_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    38_A     L    38_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    39_A     S    39_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     Y    40_A     Y    40_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    41_A     T    41_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     M    42_A     M    42_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     Q    43_A     Q    43_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     K    44_A     K    44_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    45_A     L    45_A     92   95   96     18   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    46_A     E    46_A     92   95   96     61   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    47_A     E    47_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    48_A     E    48_A     92   95   96     18   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    49_A     L    49_A     92   95   96     15   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    50_A     D    50_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    51_A     V    51_A     92   95   96     61   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    52_A     V    52_A     92   95   96     61   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    53_A     L    53_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     F    54_A     F    54_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    55_A     D    55_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    56_A     R    56_A     92   95   96      3   63   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    57_A     S    57_A     92   95   96     54   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    60_A     R    60_A     92   95   96     54   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    61_A     T    61_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     K    62_A     K    62_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     F    63_A     F    63_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    64_A     T    64_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     N    65_A     N    65_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    66_A     V    66_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    67_A     G    67_A     92   95   96     64   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    68_A     R    68_A     92   95   96     51   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     M    69_A     M    69_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    70_A     L    70_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    71_A     L    71_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    72_A     E    72_A     92   95   96     17   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    73_A     R    73_A     92   95   96     43   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    74_A     G    74_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    75_A     R    75_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    76_A     V    76_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    77_A     L    77_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    78_A     L    78_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    79_A     E    79_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    80_A     A    80_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    81_A     A    81_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    82_A     D    82_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     K    83_A     K    83_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    84_A     L    84_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    85_A     T    85_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    86_A     T    86_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    87_A     D    87_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    88_A     A    88_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    89_A     E    89_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    90_A     A    90_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    91_A     L    91_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    92_A     A    92_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    93_A     R    93_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    94_A     L    94_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    95_A     E    95_A     92   95   96     56   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     H    96_A     H    96_A     92   95   96     20   88   91   91   91   91   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     H    97_A     H    97_A     90   95   96      3    4    4    4    5    5    7   10   18   27   86   92   92   93   93   93   94   95   95   95 
LCS_GDT     H    98_A     H    98_A      3   95   96      1    4    4    4    5    5    7    9   11   14   16   19   22   85   89   91   94   95   95   95 
LCS_GDT     H    99_A     H    99_A      3    3   96      0    3    3    3    5    5    7    8   11   13   16   17   17   22   26   35   49   85   94   95 
LCS_AVERAGE  LCS_A:  96.96  (  92.93   97.96  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     66     88     91     91     91     91     91     91     91     92     92     92     93     93     93     93     94     95     95     95 
GDT PERCENT_AT  68.75  91.67  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  96.88  97.92  98.96  98.96  98.96
GDT RMS_LOCAL    0.34   0.46   0.52   0.52   0.52   0.52   0.52   0.52   0.52   0.86   0.86   0.86   1.27   1.22   1.22   1.22   1.55   1.96   1.96   1.96
GDT RMS_ALL_AT   2.47   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.47   2.41   2.41   2.41   2.42   2.36   2.36   2.36

# 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    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     9.381     0    0.438   0.431    10.440    2.738    2.476
LGA    K     3_A      K     3_A     6.690     0    0.220   1.244    15.951   22.976   10.741
LGA    E     4_A      E     4_A     1.187     0    0.612   1.227     8.437   73.214   42.169
LGA    R     5_A      R     5_A     1.426     0    0.035   0.641     3.488   81.429   66.753
LGA    A     6_A      A     6_A     0.771     0    0.021   0.032     1.079   88.214   88.667
LGA    L     7_A      L     7_A     0.460     0    0.151   0.170     0.947   97.619   95.238
LGA    T     8_A      T     8_A     0.338     0    0.039   0.052     0.662  100.000   95.918
LGA    L     9_A      L     9_A     0.421     0    0.019   0.095     0.546  100.000   98.810
LGA    E    10_A      E    10_A     0.662     0    0.072   0.928     3.147   92.857   80.317
LGA    A    11_A      A    11_A     0.454     0    0.032   0.047     0.524   97.619   98.095
LGA    L    12_A      L    12_A     0.310     0    0.044   0.042     0.403  100.000  100.000
LGA    R    13_A      R    13_A     0.333     0    0.026   0.159     1.178  100.000   93.983
LGA    V    14_A      V    14_A     0.408     0    0.031   0.042     0.445  100.000  100.000
LGA    M    15_A      M    15_A     0.381     0    0.016   0.866     2.787  100.000   93.452
LGA    D    16_A      D    16_A     0.382     0    0.031   0.088     0.687  100.000   96.429
LGA    A    17_A      A    17_A     0.378     0    0.025   0.034     0.488  100.000  100.000
LGA    I    18_A      I    18_A     0.289     0    0.019   0.056     0.325  100.000  100.000
LGA    D    19_A      D    19_A     0.334     0    0.016   0.093     0.626  100.000   98.810
LGA    R    20_A      R    20_A     0.328     0    0.062   0.221     0.799  100.000   98.268
LGA    R    21_A      R    21_A     0.525     0    0.025   0.726     2.318   92.857   91.602
LGA    G    22_A      G    22_A     0.567     0    0.018   0.018     0.603   92.857   92.857
LGA    S    23_A      S    23_A     0.365     0    0.046   0.050     0.365  100.000  100.000
LGA    F    24_A      F    24_A     0.387     0    0.017   0.264     1.011  100.000   96.580
LGA    A    25_A      A    25_A     0.441     0    0.019   0.027     0.526  100.000   98.095
LGA    A    26_A      A    26_A     0.192     0    0.051   0.049     0.512   97.619   98.095
LGA    A    27_A      A    27_A     0.244     0    0.024   0.024     0.386  100.000  100.000
LGA    A    28_A      A    28_A     0.336     0    0.039   0.053     0.535   97.619   98.095
LGA    D    29_A      D    29_A     0.482     0    0.034   0.758     2.378   97.619   87.679
LGA    E    30_A      E    30_A     0.462     0    0.018   0.175     0.775   95.238   96.825
LGA    L    31_A      L    31_A     0.558     0    0.033   0.082     0.638   90.476   92.857
LGA    G    32_A      G    32_A     0.773     0    0.018   0.018     0.773   90.476   90.476
LGA    R    33_A      R    33_A     0.722     0    0.035   1.152     5.705   90.476   70.130
LGA    V    34_A      V    34_A     0.693     0    0.043   0.095     0.776   92.857   91.837
LGA    P    35_A      P    35_A     0.204     0    0.034   0.037     0.572  100.000   98.639
LGA    S    36_A      S    36_A     0.393     0    0.096   0.631     3.354  100.000   90.079
LGA    A    37_A      A    37_A     0.190     0    0.033   0.040     0.257  100.000  100.000
LGA    L    38_A      L    38_A     0.050     0    0.031   1.219     2.697  100.000   89.048
LGA    S    39_A      S    39_A     0.184     0    0.033   0.039     0.325  100.000  100.000
LGA    Y    40_A      Y    40_A     0.232     0    0.018   0.045     0.334  100.000  100.000
LGA    T    41_A      T    41_A     0.246     0    0.008   0.042     0.325  100.000  100.000
LGA    M    42_A      M    42_A     0.348     0    0.017   0.077     0.531   97.619   98.810
LGA    Q    43_A      Q    43_A     0.361     0    0.076   0.892     4.827  100.000   80.688
LGA    K    44_A      K    44_A     0.406     0    0.033   0.752     4.891   95.238   79.683
LGA    L    45_A      L    45_A     0.783     0    0.016   0.061     0.990   90.476   90.476
LGA    E    46_A      E    46_A     0.681     0    0.042   0.164     1.067   90.476   89.471
LGA    E    47_A      E    47_A     0.438     0    0.037   0.212     0.877   92.857   94.709
LGA    E    48_A      E    48_A     0.676     0    0.037   0.194     0.856   90.476   92.593
LGA    L    49_A      L    49_A     0.788     0    0.032   0.114     1.065   90.476   89.345
LGA    D    50_A      D    50_A     0.435     0    0.031   0.165     0.567   97.619   98.810
LGA    V    51_A      V    51_A     0.692     0    0.057   0.072     0.983   90.476   90.476
LGA    V    52_A      V    52_A     0.625     0    0.010   0.050     0.967   95.238   93.197
LGA    L    53_A      L    53_A     0.259     0    0.053   0.077     0.855  100.000   96.429
LGA    F    54_A      F    54_A     0.216     0    0.092   0.091     0.420  100.000  100.000
LGA    D    55_A      D    55_A     0.243     0    0.078   0.428     1.012   92.976   94.107
LGA    R    56_A      R    56_A     1.569     0    0.085   0.423     5.479   77.143   57.316
LGA    S    57_A      S    57_A     0.701     0    0.647   0.576     3.501   78.810   82.698
LGA    R    60_A      R    60_A     0.716     6    0.161   0.216     1.341   90.476   40.303
LGA    T    61_A      T    61_A     0.549     0    0.045   0.649     1.863   95.238   90.680
LGA    K    62_A      K    62_A     0.146     0    0.034   0.919     3.372  100.000   87.831
LGA    F    63_A      F    63_A     0.142     0    0.018   0.163     0.857  100.000   95.671
LGA    T    64_A      T    64_A     0.300     0    0.010   0.030     0.416  100.000  100.000
LGA    N    65_A      N    65_A     0.284     0    0.034   0.257     1.007  100.000   97.679
LGA    V    66_A      V    66_A     0.308     0    0.017   0.065     0.411  100.000  100.000
LGA    G    67_A      G    67_A     0.534     0    0.039   0.039     0.545   92.857   92.857
LGA    R    68_A      R    68_A     0.600     0    0.089   1.054     2.694   95.238   83.550
LGA    M    69_A      M    69_A     0.391     0    0.025   1.004     3.315   97.619   91.369
LGA    L    70_A      L    70_A     0.363     0    0.022   0.147     0.523  100.000   98.810
LGA    L    71_A      L    71_A     0.477     0    0.028   0.066     0.511   97.619   98.810
LGA    E    72_A      E    72_A     0.773     0    0.009   0.169     1.809   90.476   83.545
LGA    R    73_A      R    73_A     0.857     0    0.048   1.212     3.448   90.476   81.082
LGA    G    74_A      G    74_A     0.474     0    0.088   0.088     0.474  100.000  100.000
LGA    R    75_A      R    75_A     0.110     0    0.090   0.167     0.613  100.000   99.134
LGA    V    76_A      V    76_A     0.401     0    0.018   0.032     0.521  100.000   98.639
LGA    L    77_A      L    77_A     0.505     0    0.032   0.898     3.044   92.857   86.667
LGA    L    78_A      L    78_A     0.405     0    0.046   0.109     0.565  100.000   98.810
LGA    E    79_A      E    79_A     0.320     0    0.020   0.901     2.964  100.000   80.952
LGA    A    80_A      A    80_A     0.413     0    0.039   0.047     0.597  100.000   98.095
LGA    A    81_A      A    81_A     0.385     0    0.015   0.026     0.393  100.000  100.000
LGA    D    82_A      D    82_A     0.292     0    0.052   0.914     3.066  100.000   83.095
LGA    K    83_A      K    83_A     0.273     0    0.041   0.629     1.820  100.000   95.926
LGA    L    84_A      L    84_A     0.269     0    0.015   0.111     0.538  100.000   98.810
LGA    T    85_A      T    85_A     0.267     0    0.015   0.057     0.492  100.000  100.000
LGA    T    86_A      T    86_A     0.192     0    0.014   0.031     0.346  100.000  100.000
LGA    D    87_A      D    87_A     0.136     0    0.024   0.076     0.338  100.000  100.000
LGA    A    88_A      A    88_A     0.318     0    0.018   0.025     0.384  100.000  100.000
LGA    E    89_A      E    89_A     0.391     0    0.014   0.257     1.349  100.000   95.820
LGA    A    90_A      A    90_A     0.385     0    0.034   0.043     0.415  100.000  100.000
LGA    L    91_A      L    91_A     0.348     0    0.047   0.136     0.863   97.619   95.238
LGA    A    92_A      A    92_A     0.358     0    0.021   0.032     0.496  100.000  100.000
LGA    R    93_A      R    93_A     0.452     0    0.041   1.316     5.418   95.238   79.913
LGA    L    94_A      L    94_A     0.474     0    0.111   0.135     0.786   95.238   95.238
LGA    E    95_A      E    95_A     0.631     0    0.220   0.298     1.956   83.810   91.746
LGA    H    96_A      H    96_A     0.922     0    0.423   0.411     8.180   67.738   43.429
LGA    H    97_A      H    97_A     8.511     0    0.654   1.085    12.177    6.190    2.476
LGA    H    98_A      H    98_A    12.422     0    0.689   1.142    17.036    0.000    0.000
LGA    H    99_A      H    99_A    13.786     0    0.586   1.386    15.148    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):     2.349          2.384                  3.053           91.285   87.063

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.52    94.531    95.757    14.629

LGA_LOCAL      RMSD:   0.522  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.446  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.349  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.658637 * X  +  -0.671672 * Y  +   0.339197 * Z  +   0.510618
  Y_new =   0.706567 * X  +  -0.707085 * Y  +  -0.028179 * Z  +  18.489305
  Z_new =   0.258768 * X  +   0.221106 * Y  +   0.940293 * Z  +  13.995980 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.321101 -0.261746  0.230950   [DEG:  132.9893  -14.9970   13.2324 ]
ZXZ:  1.487912  0.347305  0.863721   [DEG:   85.2511   19.8991   49.4876 ]
 
# END of job
