
#######################################################
#                                                     #
#                        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   86 (  612),  selected   86 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   86 , 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:    86       2_A - 87_A        1.25     1.25
  LCS_AVERAGE:     98.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.25     1.25
  LCS_AVERAGE:     98.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.90     1.26
  LCS_AVERAGE:     96.61

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     S     2_A     S     2_A      3   86   86      0    3    3    4    4    6   15   28   51   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A     3_A     A     3_A     85   86   86      3    3    4    4    4    6   15   45   78   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D     4_A     D     4_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L     5_A     L     5_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A     6_A     A     6_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     H     7_A     H     7_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G     8_A     G     8_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K     9_A     K     9_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    10_A     A    10_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_A     I    11_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    12_A     F    12_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    13_A     A    13_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    14_A     G    14_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    15_A     N    15_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     C    16_A     C    16_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    17_A     A    17_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    18_A     A    18_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     C    19_A     C    19_A     85   86   86     66   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     H    20_A     H    20_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    21_A     N    21_A     85   86   86     64   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    22_A     G    22_A     85   86   86     27   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    23_A     G    23_A     85   86   86     66   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    24_A     L    24_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    25_A     N    25_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    26_A     A    26_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    27_A     I    27_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    28_A     N    28_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P    29_A     P    29_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    30_A     S    30_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    31_A     K    31_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    32_A     T    32_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    33_A     L    33_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    34_A     K    34_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     M    35_A     M    35_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    36_A     A    36_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    37_A     D    37_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    38_A     L    38_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    39_A     E    39_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    40_A     A    40_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    41_A     N    41_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    42_A     G    42_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    43_A     K    43_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    44_A     N    44_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    45_A     S    45_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    46_A     V    46_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_A     A    47_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    48_A     A    48_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    49_A     I    49_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_A     V    50_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    51_A     A    51_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    52_A     Q    52_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    53_A     I    53_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    54_A     T    54_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    55_A     N    55_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    56_A     G    56_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    57_A     N    57_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    58_A     G    58_A     85   86   86     38   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    59_A     A    59_A     85   86   86     60   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     M    60_A     M    60_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P    61_A     P    61_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    62_A     G    62_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    63_A     F    63_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    64_A     K    64_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    65_A     G    65_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    66_A     R    66_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    67_A     I    67_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    68_A     S    68_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    69_A     D    69_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    70_A     S    70_A     85   86   86     51   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    71_A     D    71_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     M    72_A     M    72_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    73_A     E    73_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    74_A     D    74_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    75_A     V    75_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    76_A     A    76_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    77_A     A    77_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    78_A     Y    78_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    79_A     V    79_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    80_A     L    80_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    81_A     D    81_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    82_A     Q    82_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    83_A     A    83_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    84_A     E    84_A     85   86   86     27   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    85_A     K    85_A     85   86   86     31   72   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    86_A     G    86_A     85   86   86     26   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     W    87_A     W    87_A     85   86   86     74   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.10  (  96.61   98.85   98.85 )

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     74     83     84     84     84     84     84     84     84     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  85.06  95.40  96.55  96.55  96.55  96.55  96.55  96.55  96.55  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85
GDT RMS_LOCAL    0.30   0.39   0.41   0.41   0.41   0.41   0.41   0.41   0.41   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25
GDT RMS_ALL_AT   1.29   1.29   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     2_A      S     2_A     8.557     0    0.062   0.513    10.895    2.619    9.206
LGA    A     3_A      A     3_A     7.600     0    0.623   0.584     9.210   15.476   12.667
LGA    D     4_A      D     4_A     0.510     0    0.579   1.334     5.744   80.357   61.786
LGA    L     5_A      L     5_A     0.460     0    0.074   0.129     0.594   97.619   95.238
LGA    A     6_A      A     6_A     0.527     0    0.055   0.063     0.667   95.238   94.286
LGA    H     7_A      H     7_A     0.526     0    0.038   1.151     2.465   92.857   83.619
LGA    G     8_A      G     8_A     0.405     0    0.025   0.025     0.530   97.619   97.619
LGA    K     9_A      K     9_A     0.376     0    0.015   0.066     0.469  100.000  100.000
LGA    A    10_A      A    10_A     0.354     0    0.029   0.036     0.419  100.000  100.000
LGA    I    11_A      I    11_A     0.370     0    0.014   0.086     0.575  100.000   98.810
LGA    F    12_A      F    12_A     0.186     0    0.010   0.061     0.295  100.000  100.000
LGA    A    13_A      A    13_A     0.104     0    0.040   0.045     0.245  100.000  100.000
LGA    G    14_A      G    14_A     0.336     0    0.055   0.055     0.345  100.000  100.000
LGA    N    15_A      N    15_A     0.382     0    0.015   0.022     0.563  100.000   96.429
LGA    C    16_A      C    16_A     0.166     0    0.036   0.085     0.447  100.000  100.000
LGA    A    17_A      A    17_A     0.138     0    0.027   0.029     0.184  100.000  100.000
LGA    A    18_A      A    18_A     0.209     0    0.035   0.035     0.459  100.000  100.000
LGA    C    19_A      C    19_A     0.546     0    0.019   0.061     0.838   95.238   93.651
LGA    H    20_A      H    20_A     0.320     0    0.115   0.129     0.565   97.619   99.048
LGA    N    21_A      N    21_A     0.731     0    0.036   0.364     1.633   95.238   88.393
LGA    G    22_A      G    22_A     0.743     0    0.018   0.018     0.743   90.476   90.476
LGA    G    23_A      G    23_A     0.599     0    0.007   0.007     0.682   95.238   95.238
LGA    L    24_A      L    24_A     0.187     0    0.078   0.147     0.557  100.000   97.619
LGA    N    25_A      N    25_A     0.288     0    0.082   0.113     0.407  100.000  100.000
LGA    A    26_A      A    26_A     0.271     0    0.154   0.161     0.840   97.619   98.095
LGA    I    27_A      I    27_A     0.481     0    0.022   0.619     1.884   97.619   93.036
LGA    N    28_A      N    28_A     0.402     0    0.054   0.127     0.903  100.000   95.238
LGA    P    29_A      P    29_A     0.412     0    0.009   0.069     0.472  100.000  100.000
LGA    S    30_A      S    30_A     0.520     0    0.134   0.628     3.104   92.857   85.317
LGA    K    31_A      K    31_A     0.435     0    0.025   0.465     1.569   97.619   92.751
LGA    T    32_A      T    32_A     0.232     0    0.010   0.158     0.512  100.000   98.639
LGA    L    33_A      L    33_A     0.205     0    0.043   0.098     0.351  100.000  100.000
LGA    K    34_A      K    34_A     0.128     0    0.023   0.151     1.454  100.000   95.820
LGA    M    35_A      M    35_A     0.164     0    0.049   0.074     0.263  100.000  100.000
LGA    A    36_A      A    36_A     0.174     0    0.044   0.056     0.292  100.000  100.000
LGA    D    37_A      D    37_A     0.077     0    0.016   0.187     0.551  100.000   98.810
LGA    L    38_A      L    38_A     0.196     0    0.021   0.056     0.307  100.000  100.000
LGA    E    39_A      E    39_A     0.191     0    0.027   1.016     3.136  100.000   80.212
LGA    A    40_A      A    40_A     0.229     0    0.028   0.025     0.336  100.000  100.000
LGA    N    41_A      N    41_A     0.361     0    0.013   0.065     0.594   97.619   97.619
LGA    G    42_A      G    42_A     0.467     0    0.021   0.021     0.507   97.619   97.619
LGA    K    43_A      K    43_A     0.435     0    0.065   0.113     1.538   97.619   91.746
LGA    N    44_A      N    44_A     0.225     0    0.164   0.152     0.838   97.619   95.238
LGA    S    45_A      S    45_A     0.185     0    0.020   0.049     0.423  100.000  100.000
LGA    V    46_A      V    46_A     0.300     0    0.023   0.052     0.563  100.000   98.639
LGA    A    47_A      A    47_A     0.255     0    0.024   0.032     0.380  100.000  100.000
LGA    A    48_A      A    48_A     0.200     0    0.033   0.044     0.392  100.000  100.000
LGA    I    49_A      I    49_A     0.193     0    0.036   0.056     0.300  100.000  100.000
LGA    V    50_A      V    50_A     0.101     0    0.057   0.056     0.253  100.000  100.000
LGA    A    51_A      A    51_A     0.181     0    0.025   0.024     0.346  100.000  100.000
LGA    Q    52_A      Q    52_A     0.212     0    0.018   0.327     1.334  100.000   95.820
LGA    I    53_A      I    53_A     0.128     0    0.014   0.034     0.520  100.000   98.810
LGA    T    54_A      T    54_A     0.128     0    0.015   0.062     0.207  100.000  100.000
LGA    N    55_A      N    55_A     0.145     0    0.034   0.107     0.351  100.000  100.000
LGA    G    56_A      G    56_A     0.237     0    0.042   0.042     0.267  100.000  100.000
LGA    N    57_A      N    57_A     0.315     0    0.074   0.155     0.848  100.000   96.429
LGA    G    58_A      G    58_A     1.039     0    0.101   0.101     1.039   88.214   88.214
LGA    A    59_A      A    59_A     0.624     0    0.068   0.081     0.737   90.476   92.381
LGA    M    60_A      M    60_A     0.370     0    0.016   0.179     0.644  100.000   97.619
LGA    P    61_A      P    61_A     0.485     0    0.020   0.027     0.582   97.619   94.558
LGA    G    62_A      G    62_A     0.216     0    0.041   0.041     0.301  100.000  100.000
LGA    F    63_A      F    63_A     0.240     0    0.025   0.055     0.241  100.000  100.000
LGA    K    64_A      K    64_A     0.155     0    0.082   0.560     1.858  100.000   92.910
LGA    G    65_A      G    65_A     0.424     0    0.038   0.038     0.424  100.000  100.000
LGA    R    66_A      R    66_A     0.302     0    0.056   1.089     4.110   97.619   82.987
LGA    I    67_A      I    67_A     0.300     0    0.082   0.116     0.536  100.000   98.810
LGA    S    68_A      S    68_A     0.225     0    0.023   0.115     0.830  100.000   98.413
LGA    D    69_A      D    69_A     0.344     0    0.021   0.251     0.544   97.619   96.429
LGA    S    70_A      S    70_A     0.605     0    0.047   0.693     1.949   92.857   89.127
LGA    D    71_A      D    71_A     0.142     0    0.063   0.222     1.215  100.000   96.488
LGA    M    72_A      M    72_A     0.294     0    0.030   0.207     0.571  100.000   98.810
LGA    E    73_A      E    73_A     0.452     0    0.027   0.714     2.503  100.000   88.042
LGA    D    74_A      D    74_A     0.298     0    0.015   0.053     0.669  100.000   96.429
LGA    V    75_A      V    75_A     0.255     0    0.050   1.112     2.329  100.000   89.932
LGA    A    76_A      A    76_A     0.338     0    0.015   0.021     0.471  100.000  100.000
LGA    A    77_A      A    77_A     0.324     0    0.033   0.037     0.408  100.000  100.000
LGA    Y    78_A      Y    78_A     0.183     0    0.013   0.041     0.454  100.000  100.000
LGA    V    79_A      V    79_A     0.220     0    0.009   0.046     0.372  100.000  100.000
LGA    L    80_A      L    80_A     0.306     0    0.060   0.195     0.515   97.619   98.810
LGA    D    81_A      D    81_A     0.409     0    0.016   0.183     1.394   97.619   94.107
LGA    Q    82_A      Q    82_A     0.231     0    0.022   0.973     2.556  100.000   91.164
LGA    A    83_A      A    83_A     0.189     0    0.034   0.037     0.269  100.000  100.000
LGA    E    84_A      E    84_A     0.672     0    0.032   1.182     4.632   92.857   73.280
LGA    K    85_A      K    85_A     1.172     0    0.005   0.930     2.485   83.690   80.847
LGA    G    86_A      G    86_A     1.158     0    0.618   0.618     3.965   72.024   72.024
LGA    W    87_A      W    87_A     0.377     0    0.088   0.153     0.896   97.619   95.918

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     612    612  100.00                87
SUMMARY(RMSD_GDC):     1.248          1.262                  1.296           94.685   92.313

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   86   87    4.0     84    0.41    96.839    97.590    16.629

LGA_LOCAL      RMSD:   0.405  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.297  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.248  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.230210 * X  +   0.704073 * Y  +  -0.671777 * Z  +   9.726488
  Y_new =   0.633198 * X  +  -0.632573 * Y  +  -0.445994 * Z  +  30.547047
  Z_new =  -0.738961 * X  +  -0.322696 * Y  +  -0.591442 * Z  +  85.111084 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.222086  0.831527 -2.642128   [DEG:   70.0204   47.6430 -151.3828 ]
ZXZ: -0.984710  2.203643 -1.982526   [DEG:  -56.4197  126.2594 -113.5903 ]
 
# END of job
