
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , 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:    87       1_A - 87_A        2.04     2.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.30     2.07
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.94     2.11
  LCS_AVERAGE:     95.56

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     G     1_A     G     1_A      4    4   87      3    3    4    5    5    6    6    7    8    9   10   12   32   33   35   68   75   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5   13   27   41   68   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    3    4    5    5    6   13   28   66   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     67   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     66   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     67   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     39   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     60   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     48   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     33   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     50   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     25   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87     30   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87     17   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     68   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     25   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87     30   78   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87     28   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87     67   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  97.78  (  95.56   97.77  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     68     82     84     84     84     84     84     84     84     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  78.16  94.25  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  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.38   0.43   0.43   0.43   0.43   0.43   0.43   0.43   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   2.04   2.04   2.04
GDT RMS_ALL_AT   2.15   2.15   2.16   2.16   2.16   2.16   2.16   2.16   2.16   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.04   2.04   2.04

# 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    G     1_A      G     1_A    15.741     0    0.073   0.073    17.939    0.000    0.000
LGA    S     2_A      S     2_A     8.907     0    0.055   0.782    11.265    2.619    6.825
LGA    A     3_A      A     3_A     7.875     0    0.636   0.596     9.453   14.881   12.190
LGA    D     4_A      D     4_A     0.629     0    0.577   1.360     5.525   85.119   64.167
LGA    L     5_A      L     5_A     0.368     0    0.097   0.104     0.498  100.000  100.000
LGA    A     6_A      A     6_A     0.545     0    0.041   0.051     0.737   95.238   94.286
LGA    H     7_A      H     7_A     0.456     0    0.049   1.136     2.439  100.000   86.476
LGA    G     8_A      G     8_A     0.213     0    0.039   0.039     0.360  100.000  100.000
LGA    K     9_A      K     9_A     0.228     0    0.023   0.054     0.676  100.000   97.884
LGA    A    10_A      A    10_A     0.407     0    0.040   0.051     0.514  100.000   98.095
LGA    I    11_A      I    11_A     0.224     0    0.031   0.675     2.393  100.000   95.595
LGA    F    12_A      F    12_A     0.075     0    0.008   0.060     0.251  100.000  100.000
LGA    A    13_A      A    13_A     0.269     0    0.030   0.040     0.362  100.000  100.000
LGA    G    14_A      G    14_A     0.227     0    0.025   0.025     0.288  100.000  100.000
LGA    N    15_A      N    15_A     0.207     0    0.018   0.049     0.489  100.000  100.000
LGA    C    16_A      C    16_A     0.134     0    0.061   0.111     0.303  100.000  100.000
LGA    A    17_A      A    17_A     0.061     0    0.044   0.058     0.261  100.000  100.000
LGA    A    18_A      A    18_A     0.350     0    0.039   0.037     0.602  100.000   98.095
LGA    C    19_A      C    19_A     0.404     0    0.018   0.097     0.671   97.619   95.238
LGA    H    20_A      H    20_A     0.387     0    0.134   0.123     0.516   97.619   99.048
LGA    N    21_A      N    21_A     0.685     0    0.035   0.329     1.401   95.238   89.464
LGA    G    22_A      G    22_A     0.550     0    0.051   0.051     0.666   90.476   90.476
LGA    G    23_A      G    23_A     0.491     0    0.034   0.034     0.571   97.619   97.619
LGA    L    24_A      L    24_A     0.196     0    0.091   0.156     0.803  100.000   96.429
LGA    N    25_A      N    25_A     0.339     0    0.015   0.074     0.399  100.000  100.000
LGA    A    26_A      A    26_A     0.397     0    0.149   0.151     0.876   97.619   96.190
LGA    I    27_A      I    27_A     0.703     0    0.037   0.619     1.723   90.476   88.274
LGA    N    28_A      N    28_A     0.658     0    0.033   0.042     1.086   90.476   89.345
LGA    P    29_A      P    29_A     0.559     0    0.015   0.039     0.676   90.476   94.558
LGA    S    30_A      S    30_A     0.706     0    0.050   0.068     0.850   90.476   90.476
LGA    K    31_A      K    31_A     0.686     0    0.042   0.813     2.704   92.857   87.884
LGA    T    32_A      T    32_A     0.289     0    0.008   0.053     0.387  100.000  100.000
LGA    L    33_A      L    33_A     0.063     0    0.065   0.116     0.362  100.000  100.000
LGA    K    34_A      K    34_A     0.158     0    0.014   0.113     1.314  100.000   95.820
LGA    M    35_A      M    35_A     0.168     0    0.058   0.065     0.202  100.000  100.000
LGA    A    36_A      A    36_A     0.102     0    0.029   0.038     0.178  100.000  100.000
LGA    D    37_A      D    37_A     0.095     0    0.015   0.088     0.290  100.000  100.000
LGA    L    38_A      L    38_A     0.207     0    0.034   0.066     0.366  100.000  100.000
LGA    E    39_A      E    39_A     0.191     0    0.063   1.022     3.055  100.000   80.212
LGA    A    40_A      A    40_A     0.220     0    0.020   0.031     0.360  100.000  100.000
LGA    N    41_A      N    41_A     0.457     0    0.027   0.083     0.627   95.238   96.429
LGA    G    42_A      G    42_A     0.592     0    0.028   0.028     0.714   90.476   90.476
LGA    K    43_A      K    43_A     0.597     0    0.045   0.121     1.527   90.476   87.513
LGA    N    44_A      N    44_A     0.189     0    0.158   0.151     0.860   97.619   95.238
LGA    S    45_A      S    45_A     0.209     0    0.043   0.083     0.328  100.000  100.000
LGA    V    46_A      V    46_A     0.325     0    0.044   0.084     0.541  100.000   98.639
LGA    A    47_A      A    47_A     0.108     0    0.015   0.023     0.241  100.000  100.000
LGA    A    48_A      A    48_A     0.173     0    0.017   0.028     0.376  100.000  100.000
LGA    I    49_A      I    49_A     0.213     0    0.054   0.062     0.361  100.000  100.000
LGA    V    50_A      V    50_A     0.138     0    0.072   0.072     0.321  100.000  100.000
LGA    A    51_A      A    51_A     0.251     0    0.040   0.038     0.522   97.619   98.095
LGA    Q    52_A      Q    52_A     0.213     0    0.006   0.313     1.228  100.000   95.820
LGA    I    53_A      I    53_A     0.180     0    0.041   0.087     0.501  100.000   98.810
LGA    T    54_A      T    54_A     0.240     0    0.020   0.049     0.369  100.000  100.000
LGA    N    55_A      N    55_A     0.174     0    0.015   0.121     0.370  100.000  100.000
LGA    G    56_A      G    56_A     0.239     0    0.021   0.021     0.239  100.000  100.000
LGA    N    57_A      N    57_A     0.320     0    0.054   0.160     0.897  100.000   96.429
LGA    G    58_A      G    58_A     0.933     0    0.062   0.062     0.933   90.476   90.476
LGA    A    59_A      A    59_A     0.493     0    0.084   0.100     0.601   95.238   96.190
LGA    M    60_A      M    60_A     0.339     0    0.022   0.179     0.493  100.000  100.000
LGA    P    61_A      P    61_A     0.334     0    0.035   0.037     0.416  100.000  100.000
LGA    G    62_A      G    62_A     0.292     0    0.066   0.066     0.630   97.619   97.619
LGA    F    63_A      F    63_A     0.276     0    0.037   0.063     0.305  100.000  100.000
LGA    K    64_A      K    64_A     0.297     0    0.048   0.566     2.289  100.000   92.169
LGA    G    65_A      G    65_A     0.364     0    0.044   0.044     0.364  100.000  100.000
LGA    R    66_A      R    66_A     0.281     0    0.071   1.191     3.624  100.000   82.251
LGA    I    67_A      I    67_A     0.664     0    0.105   1.113     2.786   92.857   81.964
LGA    S    68_A      S    68_A     0.192     0    0.023   0.048     0.310  100.000  100.000
LGA    D    69_A      D    69_A     0.076     0    0.010   0.253     0.791  100.000   98.810
LGA    S    70_A      S    70_A     0.418     0    0.041   0.141     0.631   97.619   96.825
LGA    D    71_A      D    71_A     0.497     0    0.017   0.280     1.420   97.619   91.786
LGA    M    72_A      M    72_A     0.412     0    0.019   0.147     0.582  100.000   98.810
LGA    E    73_A      E    73_A     0.407     0    0.030   0.706     2.677  100.000   88.307
LGA    D    74_A      D    74_A     0.327     0    0.007   0.088     0.649  100.000   98.810
LGA    V    75_A      V    75_A     0.291     0    0.018   0.202     0.675  100.000   98.639
LGA    A    76_A      A    76_A     0.398     0    0.008   0.022     0.544  100.000   98.095
LGA    A    77_A      A    77_A     0.379     0    0.041   0.050     0.440  100.000  100.000
LGA    Y    78_A      Y    78_A     0.236     0    0.013   0.070     0.383  100.000  100.000
LGA    V    79_A      V    79_A     0.283     0    0.020   0.064     0.446  100.000  100.000
LGA    L    80_A      L    80_A     0.262     0    0.061   0.193     0.522   97.619   98.810
LGA    D    81_A      D    81_A     0.401     0    0.027   0.123     1.255   97.619   92.976
LGA    Q    82_A      Q    82_A     0.302     0    0.015   1.007     2.537  100.000   92.222
LGA    A    83_A      A    83_A     0.203     0    0.020   0.022     0.307  100.000  100.000
LGA    E    84_A      E    84_A     0.707     0    0.039   1.188     4.750   92.857   73.280
LGA    K    85_A      K    85_A     1.291     0    0.025   0.927     2.344   83.690   80.847
LGA    G    86_A      G    86_A     1.226     0    0.593   0.593     4.005   70.476   70.476
LGA    W    87_A      W    87_A     0.534     0    0.135   0.134     0.648   92.857   91.156

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     2.038          2.013                  1.782           94.331   92.099

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.43    96.552    97.244    15.912

LGA_LOCAL      RMSD:   0.428  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.156  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.038  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.259727 * X  +   0.709670 * Y  +   0.654912 * Z  +  11.771134
  Y_new =   0.242338 * X  +  -0.704383 * Y  +   0.667171 * Z  +  31.629898
  Z_new =   0.934780 * X  +  -0.014572 * Y  +  -0.354927 * Z  +  87.237648 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.750778 -1.207640 -3.100559   [DEG:   43.0164  -69.1927 -177.6490 ]
ZXZ:  2.365466  1.933632  1.586384   [DEG:  135.5312  110.7890   90.8931 ]
 
# END of job
