
#######################################################
#                                                     #
#                        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  107 (  868),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        2.10     2.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       1_A - 53_A        1.87     2.16
  LONGEST_CONTINUOUS_SEGMENT:    53       2_A - 54_A        1.98     2.13
  LCS_AVERAGE:     50.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44       5_A - 48_A        1.00     2.37
  LONGEST_CONTINUOUS_SEGMENT:    44       6_A - 49_A        0.97     2.34
  LONGEST_CONTINUOUS_SEGMENT:    44       7_A - 50_A        0.97     2.30
  LCS_AVERAGE:     40.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     30   53   90      3    5    8   68   79   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     35   53   90     26   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     35   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     35   53   90      4   53   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     44   53   90      4   35   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     44   53   90      3   35   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     44   53   90     38   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     44   53   90     38   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     44   53   90     38   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     44   53   90     27   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     44   53   90     27   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     44   53   90     27   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     44   53   90     38   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     44   53   90     11   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     44   53   90     11   57   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     44   53   90     13   61   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     44   53   90     13   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     44   53   90     11   60   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     44   53   90     11   57   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     44   53   90     23   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     44   53   90     18   30   69   80   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     44   53   90     18   33   70   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     44   53   90     18   33   70   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     44   53   90     18   56   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     44   53   90     18   52   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     44   53   90     18   42   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     44   53   90     18   60   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     44   53   90     20   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     44   53   90     27   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     44   53   90     26   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     44   53   90     26   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     44   53   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     44   53   90     25   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     44   53   90     25   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     44   53   90      5   30   70   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     19   53   90      5   11   31   56   80   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     19   53   90      5    9   17   35   57   80   83   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A      5   53   90      5    5    5    9   15   25   36   46   61   82   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A      3   53   90      3    3    4    5   12   29   62   83   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      3   26   90      3    3   11   22   35   47   69   84   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      3   35   90      3    3    4    5    8   25   39   43   60   82   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   35   90      0    3    3   26   43   71   82   84   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   35   90     14   57   73   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   35   90      4    4   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   35   90     18   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   35   90      9   53   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   35   90      6   51   73   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   35   90     38   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   35   90     39   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   35   90     30   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   35   90     25   62   75   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   35   90     23   57   74   81   82   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  63.85  (  40.78   50.78  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     39     62     75     81     82     82     84     85     87     88     88     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  43.33  68.89  83.33  90.00  91.11  91.11  93.33  94.44  96.67  97.78  97.78 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.56   0.81   0.93   0.96   0.96   1.13   1.25   1.57   1.71   1.71   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10
GDT RMS_ALL_AT   2.43   2.33   2.32   2.29   2.28   2.28   2.25   2.22   2.15   2.12   2.12   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10

# Checking swapping
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  F    66_A      F    66_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     3.680     0    0.243   0.916     5.666   51.071   44.524
LGA    L     2_A      L     2_A     0.626     0    0.117   1.254     2.817   88.452   82.143
LGA    F     3_A      F     3_A     0.742     0    0.112   0.219     1.907   92.857   80.909
LGA    E     4_A      E     4_A     1.646     0    0.546   0.549     3.504   67.619   74.444
LGA    G     5_A      G     5_A     2.260     0    0.093   0.093     2.260   66.786   66.786
LGA    D     6_A      D     6_A     2.326     0    0.199   0.831     3.577   70.952   59.643
LGA    K     7_A      K     7_A     1.160     0    0.148   0.857     3.138   79.286   75.079
LGA    F     8_A      F     8_A     0.927     0    0.024   0.052     1.101   88.214   88.831
LGA    V     9_A      V     9_A     0.659     0    0.143   1.232     3.466   90.476   82.177
LGA    G    10_A      G    10_A     0.506     0    0.019   0.019     0.668   90.476   90.476
LGA    S    11_A      S    11_A     0.906     0    0.066   0.071     1.349   92.857   89.048
LGA    F    12_A      F    12_A     0.721     0    0.033   0.085     1.144   92.857   88.874
LGA    E    13_A      E    13_A     1.188     0    0.055   0.842     2.990   81.429   74.921
LGA    N    14_A      N    14_A     1.093     0    0.061   1.164     4.333   85.952   72.083
LGA    A    15_A      A    15_A     0.272     0    0.092   0.092     0.481  100.000  100.000
LGA    A    16_A      A    16_A     0.232     0    0.052   0.052     0.610  100.000   98.095
LGA    A    17_A      A    17_A     0.501     0    0.126   0.122     0.867   95.238   94.286
LGA    G    18_A      G    18_A     0.494     0    0.040   0.040     0.505   97.619   97.619
LGA    T    19_A      T    19_A     0.493     0    0.036   0.113     0.764   95.238   93.197
LGA    F    20_A      F    20_A     0.509     0    0.043   0.305     0.741   95.238   93.939
LGA    V    21_A      V    21_A     0.684     0    0.064   0.081     1.015   90.476   89.184
LGA    L    22_A      L    22_A     0.589     0    0.098   0.139     1.059   92.857   90.536
LGA    D    23_A      D    23_A     0.650     0    0.037   0.193     1.131   90.476   89.345
LGA    M    24_A      M    24_A     0.503     0    0.084   0.684     2.005   95.238   87.500
LGA    Y    25_A      Y    25_A     0.434     0    0.038   0.282     1.366   95.238   89.841
LGA    A    26_A      A    26_A     0.694     0    0.022   0.033     0.743   90.476   90.476
LGA    Y    27_A      Y    27_A     0.348     0    0.029   0.251     0.883   95.238   96.032
LGA    E    28_A      E    28_A     0.920     0    0.035   0.694     3.563   85.952   75.450
LGA    R    29_A      R    29_A     1.294     0    0.041   1.471     6.807   81.429   56.797
LGA    L    30_A      L    30_A     1.090     0    0.040   0.164     1.835   81.429   81.488
LGA    A    31_A      A    31_A     0.855     0    0.071   0.068     0.879   90.476   90.476
LGA    N    32_A      N    32_A     1.149     0    0.195   0.476     1.908   79.286   80.476
LGA    S    33_A      S    33_A     1.348     0    0.195   0.707     3.404   79.286   74.762
LGA    I    34_A      I    34_A     0.772     0    0.643   1.027     4.514   82.143   70.833
LGA    S    35_A      S    35_A     2.261     0    0.057   0.597     4.115   70.952   63.016
LGA    T    36_A      T    36_A     2.108     0    0.037   1.132     3.008   66.786   64.966
LGA    E    37_A      E    37_A     2.003     0    0.021   0.748     4.744   68.810   55.026
LGA    K    38_A      K    38_A     1.344     0    0.048   1.035     5.881   81.548   63.175
LGA    L    39_A      L    39_A     1.278     0    0.045   0.240     1.701   81.429   79.286
LGA    R    40_A      R    40_A     1.455     0    0.036   1.799     6.720   81.429   58.442
LGA    Q    41_A      Q    41_A     1.153     0    0.044   1.099     4.566   85.952   69.841
LGA    Y    42_A      Y    42_A     0.770     0    0.039   0.361     1.523   90.476   86.746
LGA    A    43_A      A    43_A     0.717     0    0.030   0.037     0.763   90.476   90.476
LGA    S    44_A      S    44_A     0.669     0    0.071   0.067     0.784   90.476   90.476
LGA    T    45_A      T    45_A     0.513     0    0.080   0.075     1.167   97.619   93.265
LGA    Y    46_A      Y    46_A     0.403     0    0.021   0.232     1.206  100.000   95.317
LGA    N    47_A      N    47_A     0.405     0    0.051   1.067     2.580  100.000   91.250
LGA    K    48_A      K    48_A     0.565     0    0.060   0.500     2.554   92.857   84.074
LGA    Y    49_A      Y    49_A     0.680     0    0.080   0.438     1.461   85.952   92.143
LGA    K    50_A      K    50_A     1.639     0    0.079   0.838     3.695   65.357   64.868
LGA    Y    51_A      Y    51_A     3.987     0    0.289   0.491     5.986   38.333   41.746
LGA    Y    52_A      Y    52_A     5.010     0    0.049   0.152     7.914   21.667   20.040
LGA    S    53_A      S    53_A     9.095     0    0.456   0.453    12.177    3.690    2.460
LGA    G    54_A      G    54_A     6.467     0    0.283   0.283     6.806   14.286   14.286
LGA    S    55_A      S    55_A     7.285     0    0.106   0.128     8.827    7.738    8.016
LGA    A    56_A      A    56_A     9.337     0    0.736   0.672    10.457    4.048    3.238
LGA    S    57_A      S    57_A     6.685     0    0.598   0.642     9.055   22.262   16.270
LGA    E    58_A      E    58_A     1.520     0    0.585   1.174    10.617   73.214   39.418
LGA    A    59_A      A    59_A     1.533     0    0.099   0.098     1.900   77.143   76.286
LGA    D    60_A      D    60_A     1.008     0    0.279   1.136     3.376   88.333   77.798
LGA    Y    61_A      Y    61_A     1.501     0    0.038   0.144     1.699   77.143   78.571
LGA    R    62_A      R    62_A     1.566     0    0.090   1.578     8.371   77.143   52.165
LGA    L    63_A      L    63_A     0.661     0    0.016   0.162     1.261   90.476   91.726
LGA    A    64_A      A    64_A     0.442     0    0.070   0.087     0.589   95.238   94.286
LGA    C    65_A      C    65_A     0.518     0    0.080   0.077     0.571   92.857   93.651
LGA    F    66_A      F    66_A     0.644     0    0.052   0.790     2.336   90.476   84.978
LGA    A    67_A      A    67_A     0.553     0    0.025   0.042     0.592   90.476   92.381
LGA    H    68_A      H    68_A     0.492     0    0.020   0.957     4.488   92.857   73.190
LGA    L    69_A      L    69_A     0.579     0    0.056   1.111     2.366   90.476   84.048
LGA    A    70_A      A    70_A     0.688     0    0.040   0.046     0.722   90.476   90.476
LGA    K    71_A      K    71_A     0.439     0    0.029   0.181     0.676   97.619   97.884
LGA    A    72_A      A    72_A     0.348     0    0.049   0.049     0.409  100.000  100.000
LGA    M    73_A      M    73_A     0.593     0    0.030   0.623     1.134   90.476   87.083
LGA    M    74_A      M    74_A     0.577     0    0.040   0.872     2.631   95.238   89.881
LGA    D    75_A      D    75_A     0.392     0    0.046   0.144     0.963  100.000   96.429
LGA    Y    76_A      Y    76_A     0.437     0    0.032   0.131     1.039  100.000   92.897
LGA    A    77_A      A    77_A     0.411     0    0.122   0.122     0.728   97.619   98.095
LGA    S    78_A      S    78_A     0.622     0    0.098   0.124     0.635   90.476   90.476
LGA    N    79_A      N    79_A     0.559     0    0.651   0.798     3.254   78.095   84.345
LGA    H    80_A      H    80_A     0.315     0    0.072   0.501     2.035   95.238   89.952
LGA    N    81_A      N    81_A     0.105     0    0.043   1.104     2.555   97.619   87.857
LGA    D    82_A      D    82_A     0.507     0    0.075   0.372     1.063   92.857   89.405
LGA    T    83_A      T    83_A     0.554     0    0.020   0.996     2.392   90.476   84.286
LGA    L    84_A      L    84_A     0.648     0    0.051   0.089     1.135   90.476   88.214
LGA    Y    85_A      Y    85_A     0.416     0    0.039   0.072     0.657   97.619   98.413
LGA    T    86_A      T    86_A     0.637     0    0.051   0.924     2.877   90.476   82.041
LGA    P    87_A      P    87_A     0.468     0    0.052   0.244     0.863   95.238   94.558
LGA    P    88_A      P    88_A     1.082     0    0.106   0.292     1.689   88.214   85.374
LGA    T    89_A      T    89_A     0.713     0    0.114   0.241     1.469   92.857   90.544
LGA    V    90_A      V    90_A     1.258     0    0.046   0.202     1.898   85.952   81.565

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     2.102          2.082                  2.474           82.307   77.744

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     85    1.25    88.333    81.145     6.279

LGA_LOCAL      RMSD:   1.254  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.219  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   2.102  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.594734 * X  +   0.729620 * Y  +  -0.337560 * Z  + -20.138668
  Y_new =   0.795928 * X  +  -0.593468 * Y  +   0.119562 * Z  +  46.097435
  Z_new =  -0.113096 * X  +  -0.339781 * Y  +  -0.933680 * Z  +  11.025268 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.929076  0.113338 -2.792575   [DEG:   53.2322    6.4938 -160.0027 ]
ZXZ: -1.911204  2.775351 -2.820278   [DEG: -109.5039  159.0159 -161.5900 ]
 
# END of job
