
#######################################################
#                                                     #
#                        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        1.58     1.58
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.58     1.58
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52       1_A - 52_A        0.80     1.68
  LCS_AVERAGE:     47.32

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     52   90   90     41   76   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     52   90   90     33   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     52   90   90     57   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     52   90   90     47   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     52   90   90     57   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     52   90   90     57   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     52   90   90     51   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     52   90   90     51   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     52   90   90     60   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     52   90   90     61   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     52   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     52   90   90     24   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     52   90   90      4   21   66   81   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     52   90   90      4   15   37   78   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     11   90   90      3    7   13   23   40   77   85   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     11   90   90      3    8   16   24   44   80   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     11   90   90      4    9   20   24   41   71   82   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      4   90   90      3    4    5   14   24   37   58   80   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      3    3    5   30   68   81   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   22   82   83   85   85   87   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   53   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     48   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     51   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     36   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     64   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     24   78   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      4   61   81   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  82.44  (  47.32  100.00  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     64     78     81     82     84     85     86     88     89     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  71.11  86.67  90.00  91.11  93.33  94.44  95.56  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.40   0.50   0.56   0.76   0.81   1.11   1.39   1.42   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58
GDT RMS_ALL_AT   1.72   1.76   1.73   1.72   1.67   1.68   1.61   1.58   1.59   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58   1.58

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     1.172     0    0.221   1.024     1.987   83.810   80.476
LGA    L     2_A      L     2_A     0.990     0    0.008   1.181     3.134   88.214   79.940
LGA    F     3_A      F     3_A     1.111     0    0.089   0.112     1.526   81.429   80.649
LGA    E     4_A      E     4_A     1.083     0    0.140   0.355     1.454   81.429   85.450
LGA    G     5_A      G     5_A     1.798     0    0.029   0.029     1.798   72.857   72.857
LGA    D     6_A      D     6_A     1.705     0    0.036   0.254     2.124   75.000   72.917
LGA    K     7_A      K     7_A     1.483     0    0.024   0.732     3.336   79.286   76.032
LGA    F     8_A      F     8_A     1.120     0    0.020   0.106     1.207   83.690   88.052
LGA    V     9_A      V     9_A     0.656     0    0.034   0.080     0.935   92.857   91.837
LGA    G    10_A      G    10_A     0.332     0    0.057   0.057     0.498  100.000  100.000
LGA    S    11_A      S    11_A     0.512     0    0.038   0.061     0.728   92.857   92.063
LGA    F    12_A      F    12_A     0.489     0    0.022   0.077     0.622   95.238   95.671
LGA    E    13_A      E    13_A     1.031     0    0.016   0.298     2.531   83.690   76.032
LGA    N    14_A      N    14_A     1.074     0    0.007   0.146     1.362   83.690   82.560
LGA    A    15_A      A    15_A     0.615     0    0.105   0.122     0.723   90.476   92.381
LGA    A    16_A      A    16_A     0.601     0    0.027   0.040     0.875   90.476   90.476
LGA    A    17_A      A    17_A     1.122     0    0.031   0.032     1.282   83.690   83.238
LGA    G    18_A      G    18_A     0.907     0    0.049   0.049     0.990   90.476   90.476
LGA    T    19_A      T    19_A     0.629     0    0.024   0.084     0.737   90.476   90.476
LGA    F    20_A      F    20_A     0.503     0    0.020   0.131     0.567   95.238   96.537
LGA    V    21_A      V    21_A     0.450     0    0.007   0.044     0.668  100.000   95.918
LGA    L    22_A      L    22_A     0.298     0    0.015   0.065     0.343  100.000  100.000
LGA    D    23_A      D    23_A     0.361     0    0.038   0.090     0.904  100.000   95.238
LGA    M    24_A      M    24_A     0.366     0    0.046   0.245     1.672  100.000   93.095
LGA    Y    25_A      Y    25_A     0.394     0    0.017   0.109     0.938  100.000   96.032
LGA    A    26_A      A    26_A     0.291     0    0.034   0.050     0.393  100.000  100.000
LGA    Y    27_A      Y    27_A     0.172     0    0.033   0.286     1.185  100.000   93.730
LGA    E    28_A      E    28_A     0.467     0    0.008   0.475     2.037   97.619   85.873
LGA    R    29_A      R    29_A     0.525     0    0.015   1.343     3.872   92.857   77.792
LGA    L    30_A      L    30_A     0.395     0    0.046   0.071     0.590  100.000   98.810
LGA    A    31_A      A    31_A     0.431     0    0.038   0.050     0.431  100.000  100.000
LGA    N    32_A      N    32_A     0.304     0    0.098   0.188     0.897   97.619   97.619
LGA    S    33_A      S    33_A     0.275     0    0.089   0.100     0.388  100.000  100.000
LGA    I    34_A      I    34_A     0.296     0    0.061   0.184     0.787  100.000   98.810
LGA    S    35_A      S    35_A     0.222     0    0.055   0.054     0.280  100.000  100.000
LGA    T    36_A      T    36_A     0.455     0    0.020   0.032     0.589   95.238   95.918
LGA    E    37_A      E    37_A     0.650     0    0.014   1.012     3.054   90.476   77.407
LGA    K    38_A      K    38_A     0.416     0    0.024   0.889     3.654  100.000   82.963
LGA    L    39_A      L    39_A     0.424     0    0.030   0.116     0.601   95.238   96.429
LGA    R    40_A      R    40_A     0.557     0    0.018   0.473     1.007   95.238   91.385
LGA    Q    41_A      Q    41_A     0.511     0    0.018   1.094     4.185   90.476   81.693
LGA    Y    42_A      Y    42_A     0.535     0    0.049   0.107     0.619   92.857   96.825
LGA    A    43_A      A    43_A     0.692     0    0.017   0.018     0.763   90.476   90.476
LGA    S    44_A      S    44_A     0.626     0    0.059   0.082     0.801   90.476   90.476
LGA    T    45_A      T    45_A     0.632     0    0.058   0.114     0.696   90.476   93.197
LGA    Y    46_A      Y    46_A     0.770     0    0.022   0.060     0.872   90.476   93.651
LGA    N    47_A      N    47_A     0.902     0    0.021   0.095     1.195   90.476   87.083
LGA    K    48_A      K    48_A     0.713     0    0.033   0.710     2.369   90.476   89.735
LGA    Y    49_A      Y    49_A     0.816     0    0.181   0.229     1.318   88.214   88.968
LGA    K    50_A      K    50_A     0.965     0    0.036   0.060     1.927   83.810   85.503
LGA    Y    51_A      Y    51_A     2.375     0    0.090   0.165     3.321   63.333   55.635
LGA    Y    52_A      Y    52_A     2.893     0    0.172   0.171     5.154   52.143   44.603
LGA    S    53_A      S    53_A     5.085     0    0.531   0.746     7.852   22.976   20.873
LGA    G    54_A      G    54_A     4.688     0    0.089   0.089     4.911   32.857   32.857
LGA    S    55_A      S    55_A     5.820     0    0.289   0.726     8.252   20.476   17.302
LGA    A    56_A      A    56_A     6.802     0    0.634   0.570     7.419   18.333   16.667
LGA    S    57_A      S    57_A     4.975     0    0.637   0.719     8.213   38.929   28.968
LGA    E    58_A      E    58_A     3.210     0    0.650   1.168    11.292   59.167   30.106
LGA    A    59_A      A    59_A     2.272     0    0.109   0.123     2.621   66.905   66.476
LGA    D    60_A      D    60_A     0.714     0    0.277   0.951     2.737   90.476   79.762
LGA    Y    61_A      Y    61_A     1.021     0    0.034   0.193     1.285   83.690   84.444
LGA    R    62_A      R    62_A     1.188     0    0.028   1.216     6.838   81.429   57.013
LGA    L    63_A      L    63_A     0.938     0    0.028   1.014     3.374   90.476   83.155
LGA    A    64_A      A    64_A     0.756     0    0.017   0.024     0.794   90.476   90.476
LGA    C    65_A      C    65_A     0.784     0    0.033   0.084     0.817   90.476   90.476
LGA    F    66_A      F    66_A     0.706     0    0.022   0.075     0.954   90.476   90.476
LGA    A    67_A      A    67_A     0.576     0    0.018   0.028     0.651   95.238   94.286
LGA    H    68_A      H    68_A     0.510     0    0.022   0.082     0.605   97.619   95.238
LGA    L    69_A      L    69_A     0.473     0    0.033   0.061     0.523   97.619   96.429
LGA    A    70_A      A    70_A     0.445     0    0.009   0.009     0.510  100.000   98.095
LGA    K    71_A      K    71_A     0.404     0    0.037   0.663     2.871  100.000   93.122
LGA    A    72_A      A    72_A     0.303     0    0.054   0.064     0.370  100.000  100.000
LGA    M    73_A      M    73_A     0.433     0    0.035   0.075     0.513   97.619   98.810
LGA    M    74_A      M    74_A     0.380     0    0.069   1.060     4.000  100.000   86.548
LGA    D    75_A      D    75_A     0.092     0    0.009   0.073     0.688  100.000   97.619
LGA    Y    76_A      Y    76_A     0.198     0    0.041   0.093     0.695  100.000   96.032
LGA    A    77_A      A    77_A     0.364     0    0.024   0.024     0.497  100.000  100.000
LGA    S    78_A      S    78_A     0.510     0    0.051   0.615     2.039   95.238   89.365
LGA    N    79_A      N    79_A     0.424     0    0.013   0.250     0.622   97.619   96.429
LGA    H    80_A      H    80_A     0.507     0    0.040   0.572     1.637   90.476   86.000
LGA    N    81_A      N    81_A     0.529     0    0.024   1.080     2.509   90.476   85.298
LGA    D    82_A      D    82_A     0.341     0    0.011   0.100     0.539  100.000   98.810
LGA    T    83_A      T    83_A     0.585     0    0.058   0.066     0.954   97.619   94.558
LGA    L    84_A      L    84_A     0.371     0    0.080   0.091     1.240  100.000   94.107
LGA    Y    85_A      Y    85_A     0.442     0    0.023   0.050     0.816   95.238   92.857
LGA    T    86_A      T    86_A     0.515     0    0.050   0.088     0.652   92.857   91.837
LGA    P    87_A      P    87_A     0.726     0    0.059   0.114     1.037   88.214   89.184
LGA    P    88_A      P    88_A     1.049     0    0.058   0.211     1.237   90.595   89.252
LGA    T    89_A      T    89_A     1.067     0    0.041   1.099     4.321   90.595   75.646
LGA    V    90_A      V    90_A     1.297     0    0.150   0.155     2.908   73.214   68.503

# 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):     1.580          1.571                  1.850           87.558   84.334

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     88    1.39    93.889    96.374     5.921

LGA_LOCAL      RMSD:   1.386  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.583  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.580  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.090383 * X  +   0.049402 * Y  +  -0.994681 * Z  + -13.433493
  Y_new =  -0.812588 * X  +  -0.581100 * Y  +   0.044976 * Z  +  18.580084
  Z_new =  -0.575787 * X  +   0.812331 * Y  +   0.092665 * Z  +  -0.809930 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.681569  0.613567  1.457215   [DEG:  -96.3468   35.1548   83.4923 ]
ZXZ: -1.615982  1.477998 -0.616613   [DEG:  -92.5889   84.6831  -35.3293 ]
 
# END of job
