
#######################################################
#                                                     #
#                        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        2.05     2.05
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.31     2.08
  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     2.12
  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    5    6    7    9   10   12   14   26   28   31   68   76   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5    9   29   37   61   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    5   13   39   67   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     66   83   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     70   83   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     66   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     65   83   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     46   83   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     70   83   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     70   83   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     70   83   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     70   83   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     27   83   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     70   83   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     70   83   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     55   83   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     55   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     66   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     15   83   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     70   83   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     70   83   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     70   83   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     64   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     70   83   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     67   83   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     29   83   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     24   83   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     66   83   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     70     83     84     84     84     84     84     84     84     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  80.46  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  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.39   0.41   0.41   0.41   0.41   0.41   0.41   0.41   1.31   1.31   1.31   1.31   1.31   1.31   1.31   1.31   2.05   2.05   2.05
GDT RMS_ALL_AT   2.17   2.16   2.17   2.17   2.17   2.17   2.17   2.17   2.17   2.08   2.08   2.08   2.08   2.08   2.08   2.08   2.08   2.05   2.05   2.05

# 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    15.789     0    0.082   0.082    18.035    0.000    0.000
LGA    S     2_A      S     2_A     9.047     0    0.040   0.770    11.330    1.786    6.270
LGA    A     3_A      A     3_A     7.962     0    0.636   0.597     9.514   14.881   12.000
LGA    D     4_A      D     4_A     0.711     0    0.577   1.363     5.430   82.738   63.571
LGA    L     5_A      L     5_A     0.479     0    0.103   0.111     0.719   97.619   94.048
LGA    A     6_A      A     6_A     0.610     0    0.042   0.051     0.805   95.238   94.286
LGA    H     7_A      H     7_A     0.496     0    0.047   1.142     2.412   97.619   84.667
LGA    G     8_A      G     8_A     0.236     0    0.041   0.041     0.391  100.000  100.000
LGA    K     9_A      K     9_A     0.206     0    0.022   0.054     0.513  100.000   98.942
LGA    A    10_A      A    10_A     0.372     0    0.040   0.050     0.499  100.000  100.000
LGA    I    11_A      I    11_A     0.188     0    0.035   0.070     0.673  100.000   97.619
LGA    F    12_A      F    12_A     0.133     0    0.010   0.061     0.296  100.000  100.000
LGA    A    13_A      A    13_A     0.324     0    0.029   0.040     0.421  100.000  100.000
LGA    G    14_A      G    14_A     0.360     0    0.024   0.024     0.450  100.000  100.000
LGA    N    15_A      N    15_A     0.323     0    0.023   0.045     0.624  100.000   97.619
LGA    C    16_A      C    16_A     0.157     0    0.054   0.104     0.348  100.000  100.000
LGA    A    17_A      A    17_A     0.087     0    0.037   0.052     0.259  100.000  100.000
LGA    A    18_A      A    18_A     0.325     0    0.034   0.032     0.562  100.000   98.095
LGA    C    19_A      C    19_A     0.333     0    0.026   0.083     0.617   97.619   96.825
LGA    H    20_A      H    20_A     0.345     0    0.128   0.119     0.547   97.619   99.048
LGA    N    21_A      N    21_A     0.721     0    0.040   0.262     1.440   95.238   89.464
LGA    G    22_A      G    22_A     0.567     0    0.053   0.053     0.605   90.476   90.476
LGA    G    23_A      G    23_A     0.469     0    0.028   0.028     0.578   97.619   97.619
LGA    L    24_A      L    24_A     0.263     0    0.077   0.139     0.817  100.000   96.429
LGA    N    25_A      N    25_A     0.219     0    0.017   0.087     0.327  100.000  100.000
LGA    A    26_A      A    26_A     0.233     0    0.144   0.146     0.933   97.619   98.095
LGA    I    27_A      I    27_A     0.614     0    0.037   0.621     1.767   92.857   89.464
LGA    N    28_A      N    28_A     0.465     0    0.035   0.040     0.792   97.619   94.048
LGA    P    29_A      P    29_A     0.440     0    0.017   0.043     0.553   95.238   94.558
LGA    S    30_A      S    30_A     0.610     0    0.057   0.061     0.838   90.476   90.476
LGA    K    31_A      K    31_A     0.560     0    0.040   0.453     1.732   95.238   88.624
LGA    T    32_A      T    32_A     0.264     0    0.013   0.061     0.350  100.000  100.000
LGA    L    33_A      L    33_A     0.044     0    0.053   0.103     0.257  100.000  100.000
LGA    K    34_A      K    34_A     0.137     0    0.012   0.111     1.381  100.000   95.820
LGA    M    35_A      M    35_A     0.195     0    0.062   0.080     0.228  100.000  100.000
LGA    A    36_A      A    36_A     0.160     0    0.022   0.029     0.213  100.000  100.000
LGA    D    37_A      D    37_A     0.052     0    0.006   0.074     0.295  100.000  100.000
LGA    L    38_A      L    38_A     0.134     0    0.026   0.059     0.274  100.000  100.000
LGA    E    39_A      E    39_A     0.073     0    0.060   1.021     2.956  100.000   82.646
LGA    A    40_A      A    40_A     0.152     0    0.024   0.025     0.381  100.000  100.000
LGA    N    41_A      N    41_A     0.388     0    0.024   0.063     0.560   97.619   97.619
LGA    G    42_A      G    42_A     0.520     0    0.028   0.028     0.653   92.857   92.857
LGA    K    43_A      K    43_A     0.502     0    0.038   0.106     1.426   92.857   90.582
LGA    N    44_A      N    44_A     0.192     0    0.162   0.151     0.735   97.619   96.429
LGA    S    45_A      S    45_A     0.176     0    0.045   0.082     0.363  100.000  100.000
LGA    V    46_A      V    46_A     0.409     0    0.040   0.084     0.778  100.000   95.918
LGA    A    47_A      A    47_A     0.259     0    0.015   0.024     0.455  100.000  100.000
LGA    A    48_A      A    48_A     0.234     0    0.016   0.027     0.371  100.000  100.000
LGA    I    49_A      I    49_A     0.199     0    0.051   0.062     0.342  100.000  100.000
LGA    V    50_A      V    50_A     0.110     0    0.086   0.082     0.307  100.000  100.000
LGA    A    51_A      A    51_A     0.282     0    0.037   0.036     0.507   97.619   98.095
LGA    Q    52_A      Q    52_A     0.275     0    0.008   0.354     1.354  100.000   95.820
LGA    I    53_A      I    53_A     0.190     0    0.030   0.080     0.718  100.000   98.810
LGA    T    54_A      T    54_A     0.303     0    0.017   0.091     0.469  100.000  100.000
LGA    N    55_A      N    55_A     0.343     0    0.034   0.099     0.604  100.000   98.810
LGA    G    56_A      G    56_A     0.296     0    0.030   0.030     0.296  100.000  100.000
LGA    N    57_A      N    57_A     0.237     0    0.042   0.136     0.331  100.000  100.000
LGA    G    58_A      G    58_A     0.406     0    0.049   0.049     0.406  100.000  100.000
LGA    A    59_A      A    59_A     0.336     0    0.064   0.080     0.482  100.000  100.000
LGA    M    60_A      M    60_A     0.347     0    0.027   0.196     0.551  100.000   98.810
LGA    P    61_A      P    61_A     0.348     0    0.024   0.030     0.451  100.000  100.000
LGA    G    62_A      G    62_A     0.354     0    0.044   0.044     0.417  100.000  100.000
LGA    F    63_A      F    63_A     0.288     0    0.043   0.094     0.324  100.000  100.000
LGA    K    64_A      K    64_A     0.325     0    0.044   0.567     2.617  100.000   91.323
LGA    G    65_A      G    65_A     0.397     0    0.045   0.045     0.525   97.619   97.619
LGA    R    66_A      R    66_A     0.458     0    0.073   1.055     3.148   97.619   84.632
LGA    I    67_A      I    67_A     0.770     0    0.111   1.105     2.893   90.476   80.774
LGA    S    68_A      S    68_A     0.369     0    0.032   0.075     0.447  100.000  100.000
LGA    D    69_A      D    69_A     0.284     0    0.007   0.260     1.134  100.000   97.679
LGA    S    70_A      S    70_A     0.425     0    0.028   0.661     2.106   97.619   90.952
LGA    D    71_A      D    71_A     0.573     0    0.033   0.237     1.344   92.857   89.405
LGA    M    72_A      M    72_A     0.428     0    0.023   0.130     0.545  100.000   98.810
LGA    E    73_A      E    73_A     0.418     0    0.035   0.707     2.849   97.619   87.249
LGA    D    74_A      D    74_A     0.318     0    0.010   0.047     0.477  100.000  100.000
LGA    V    75_A      V    75_A     0.273     0    0.024   0.218     0.632  100.000   97.279
LGA    A    76_A      A    76_A     0.473     0    0.005   0.021     0.680   97.619   96.190
LGA    A    77_A      A    77_A     0.484     0    0.046   0.055     0.563   95.238   94.286
LGA    Y    78_A      Y    78_A     0.290     0    0.013   0.076     0.408  100.000  100.000
LGA    V    79_A      V    79_A     0.325     0    0.026   0.076     0.478  100.000  100.000
LGA    L    80_A      L    80_A     0.189     0    0.057   0.143     0.465  100.000  100.000
LGA    D    81_A      D    81_A     0.259     0    0.026   0.127     1.036  100.000   95.298
LGA    Q    82_A      Q    82_A     0.221     0    0.018   0.993     2.616  100.000   92.222
LGA    A    83_A      A    83_A     0.192     0    0.019   0.020     0.306  100.000  100.000
LGA    E    84_A      E    84_A     0.569     0    0.038   1.188     4.652   92.857   73.280
LGA    K    85_A      K    85_A     1.180     0    0.030   0.923     2.587   83.690   80.000
LGA    G    86_A      G    86_A     1.196     0    0.594   0.594     3.969   72.024   72.024
LGA    W    87_A      W    87_A     0.582     0    0.213   0.212     1.009   88.214   91.871

# 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):     2.046          2.023                  1.782           94.477   92.245

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.41    96.839    97.335    16.405

LGA_LOCAL      RMSD:   0.412  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.168  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.046  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.365798 * X  +   0.308775 * Y  +   0.877981 * Z  +   9.602604
  Y_new =  -0.440986 * X  +  -0.888245 * Y  +   0.128654 * Z  +  29.634190
  Z_new =   0.819587 * X  +  -0.340116 * Y  +   0.461084 * Z  +  85.885117 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.263267 -0.960690 -0.635547   [DEG: -129.6757  -55.0435  -36.4142 ]
ZXZ:  1.716295  1.091580  1.964153   [DEG:   98.3365   62.5429  112.5377 ]
 
# END of job
