
#######################################################
#                                                     #
#                        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        1.32     1.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.32     1.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       1_A - 54_A        0.78     1.36
  LCS_AVERAGE:     49.86

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     54   90   90     13   56   80   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     54   90   90     20   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     54   90   90     51   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     54   90   90     33   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     54   90   90     26   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     54   90   90     51   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     54   90   90     44   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     54   90   90     57   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     54   90   90     57   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     54   90   90     56   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     54   90   90     56   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     54   90   90     53   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     54   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     54   90   90     23   76   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     54   90   90     34   76   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     54   90   90      4   24   77   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     54   90   90      9   34   77   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     24   90   90      4    5   11   27   42   67   81   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      5   90   90      4    5    8   18   31   39   57   80   87   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      5   90   90      4    5   34   61   79   87   87   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    7   64   85   87   87   88   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   46   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     47   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     47   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     59   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     60   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     60   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     39   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     61   78   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     27   64   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90     16   69   82   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  83.29  (  49.86  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     61     78     82     84     86     87     87     88     89     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  67.78  86.67  91.11  93.33  95.56  96.67  96.67  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   0.43   0.54   0.68   0.75   0.82   0.82   0.96   1.14   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32
GDT RMS_ALL_AT   1.40   1.43   1.39   1.36   1.36   1.36   1.36   1.34   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32

# 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:  E    37_A      E    37_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     2.024     0    0.226   1.020     3.620   71.190   66.548
LGA    L     2_A      L     2_A     0.916     0    0.038   1.161     3.124   88.214   79.940
LGA    F     3_A      F     3_A     0.678     0    0.070   0.093     1.236   88.214   85.541
LGA    E     4_A      E     4_A     0.472     0    0.109   0.463     1.186   95.238   95.820
LGA    G     5_A      G     5_A     1.187     0    0.034   0.034     1.225   83.690   83.690
LGA    D     6_A      D     6_A     1.490     0    0.027   0.382     1.924   81.429   77.143
LGA    K     7_A      K     7_A     1.254     0    0.012   0.854     4.374   83.690   75.661
LGA    F     8_A      F     8_A     0.949     0    0.006   0.104     1.120   88.214   90.563
LGA    V     9_A      V     9_A     0.654     0    0.025   0.089     0.775   90.476   91.837
LGA    G    10_A      G    10_A     0.293     0    0.009   0.009     0.452  100.000  100.000
LGA    S    11_A      S    11_A     0.294     0    0.019   0.022     0.384  100.000  100.000
LGA    F    12_A      F    12_A     0.347     0    0.022   0.079     0.482  100.000  100.000
LGA    E    13_A      E    13_A     0.819     0    0.028   0.592     3.308   90.476   78.254
LGA    N    14_A      N    14_A     0.766     0    0.011   0.162     0.802   90.476   90.476
LGA    A    15_A      A    15_A     0.343     0    0.026   0.029     0.413  100.000  100.000
LGA    A    16_A      A    16_A     0.406     0    0.022   0.023     0.715  100.000   98.095
LGA    A    17_A      A    17_A     0.650     0    0.024   0.026     0.788   90.476   90.476
LGA    G    18_A      G    18_A     0.525     0    0.071   0.071     0.525   95.238   95.238
LGA    T    19_A      T    19_A     0.568     0    0.015   0.075     0.943   90.476   90.476
LGA    F    20_A      F    20_A     0.524     0    0.037   0.122     0.610   95.238   93.939
LGA    V    21_A      V    21_A     0.091     0    0.016   0.023     0.292  100.000  100.000
LGA    L    22_A      L    22_A     0.296     0    0.021   0.058     0.527  100.000   98.810
LGA    D    23_A      D    23_A     0.286     0    0.044   0.078     0.366  100.000  100.000
LGA    M    24_A      M    24_A     0.248     0    0.099   0.631     2.316  100.000   88.690
LGA    Y    25_A      Y    25_A     0.297     0    0.022   0.047     1.094  100.000   93.690
LGA    A    26_A      A    26_A     0.271     0    0.009   0.012     0.285  100.000  100.000
LGA    Y    27_A      Y    27_A     0.124     0    0.006   0.272     1.228  100.000   93.730
LGA    E    28_A      E    28_A     0.245     0    0.015   0.660     2.766  100.000   81.799
LGA    R    29_A      R    29_A     0.453     0    0.007   1.467     4.214   97.619   80.130
LGA    L    30_A      L    30_A     0.317     0    0.015   0.124     0.673  100.000   98.810
LGA    A    31_A      A    31_A     0.312     0    0.012   0.015     0.397  100.000  100.000
LGA    N    32_A      N    32_A     0.189     0    0.086   0.211     1.271   97.619   95.298
LGA    S    33_A      S    33_A     0.131     0    0.061   0.068     0.267  100.000  100.000
LGA    I    34_A      I    34_A     0.271     0    0.030   0.173     0.862  100.000   98.810
LGA    S    35_A      S    35_A     0.269     0    0.020   0.030     0.336  100.000  100.000
LGA    T    36_A      T    36_A     0.333     0    0.006   0.968     2.252   97.619   89.728
LGA    E    37_A      E    37_A     0.657     0    0.017   0.805     2.060   90.476   84.656
LGA    K    38_A      K    38_A     0.497     0    0.008   0.678     3.504   97.619   83.757
LGA    L    39_A      L    39_A     0.296     0    0.020   0.138     0.577  100.000   98.810
LGA    R    40_A      R    40_A     0.495     0    0.032   1.212     3.983  100.000   84.069
LGA    Q    41_A      Q    41_A     0.533     0    0.019   1.174     4.582   95.238   80.317
LGA    Y    42_A      Y    42_A     0.341     0    0.005   0.136     0.875  100.000   96.032
LGA    A    43_A      A    43_A     0.556     0    0.004   0.009     0.627   90.476   90.476
LGA    S    44_A      S    44_A     0.558     0    0.019   0.067     0.648   90.476   90.476
LGA    T    45_A      T    45_A     0.277     0    0.023   0.078     0.391  100.000  100.000
LGA    Y    46_A      Y    46_A     0.353     0    0.010   0.055     0.504   97.619   99.206
LGA    N    47_A      N    47_A     0.534     0    0.007   0.144     0.817   95.238   92.857
LGA    K    48_A      K    48_A     0.303     0    0.006   0.715     2.398  100.000   96.085
LGA    Y    49_A      Y    49_A     0.408     0    0.031   0.110     0.548   97.619   99.206
LGA    K    50_A      K    50_A     0.409     0    0.045   0.628     4.043   95.238   77.672
LGA    Y    51_A      Y    51_A     0.990     0    0.055   0.092     2.383   88.214   76.667
LGA    Y    52_A      Y    52_A     0.945     0    0.078   0.165     1.388   85.952   88.968
LGA    S    53_A      S    53_A     2.470     0    0.063   0.659     5.460   61.190   54.683
LGA    G    54_A      G    54_A     2.544     0    0.101   0.101     3.257   57.500   57.500
LGA    S    55_A      S    55_A     6.007     0    0.043   0.065     9.119   30.952   22.063
LGA    A    56_A      A    56_A     6.653     0    0.073   0.079     8.723   19.762   16.381
LGA    S    57_A      S    57_A     4.653     0    0.633   0.899     7.701   41.190   30.873
LGA    E    58_A      E    58_A     3.187     0    0.628   1.369    11.451   59.167   29.206
LGA    A    59_A      A    59_A     2.132     0    0.082   0.087     2.411   70.952   69.714
LGA    D    60_A      D    60_A     0.642     0    0.268   0.990     2.922   92.857   78.929
LGA    Y    61_A      Y    61_A     0.966     0    0.018   0.081     1.010   88.214   90.516
LGA    R    62_A      R    62_A     1.071     0    0.022   1.181     6.670   85.952   58.658
LGA    L    63_A      L    63_A     0.613     0    0.024   1.021     2.923   90.476   84.107
LGA    A    64_A      A    64_A     0.370     0    0.024   0.027     0.456  100.000  100.000
LGA    C    65_A      C    65_A     0.391     0    0.017   0.040     0.458  100.000  100.000
LGA    F    66_A      F    66_A     0.442     0    0.027   0.055     0.770  100.000   94.805
LGA    A    67_A      A    67_A     0.287     0    0.015   0.016     0.372  100.000  100.000
LGA    H    68_A      H    68_A     0.150     0    0.018   0.043     0.298  100.000  100.000
LGA    L    69_A      L    69_A     0.256     0    0.011   0.056     0.507  100.000   98.810
LGA    A    70_A      A    70_A     0.290     0    0.014   0.015     0.335  100.000  100.000
LGA    K    71_A      K    71_A     0.209     0    0.007   0.645     3.090  100.000   92.328
LGA    A    72_A      A    72_A     0.128     0    0.026   0.027     0.215  100.000  100.000
LGA    M    73_A      M    73_A     0.408     0    0.012   0.085     0.608  100.000   97.619
LGA    M    74_A      M    74_A     0.444     0    0.049   0.769     2.315  100.000   94.405
LGA    D    75_A      D    75_A     0.297     0    0.054   0.054     0.536  100.000   98.810
LGA    Y    76_A      Y    76_A     0.340     0    0.016   0.078     1.356  100.000   92.183
LGA    A    77_A      A    77_A     0.462     0    0.041   0.043     0.488  100.000  100.000
LGA    S    78_A      S    78_A     0.666     0    0.027   0.568     2.102   90.476   86.190
LGA    N    79_A      N    79_A     0.676     0    0.030   0.168     0.805   90.476   91.667
LGA    H    80_A      H    80_A     0.508     0    0.038   0.680     1.652   97.619   88.000
LGA    N    81_A      N    81_A     0.594     0    0.062   1.378     3.642   90.476   76.488
LGA    D    82_A      D    82_A     0.320     0    0.021   0.056     0.745   95.238   97.619
LGA    T    83_A      T    83_A     0.541     0    0.014   0.041     0.911   97.619   94.558
LGA    L    84_A      L    84_A     0.171     0    0.068   0.074     1.016   97.619   94.107
LGA    Y    85_A      Y    85_A     0.187     0    0.024   0.096     0.501  100.000   99.206
LGA    T    86_A      T    86_A     0.198     0    0.088   1.004     2.197  100.000   89.932
LGA    P    87_A      P    87_A     0.134     0    0.014   0.249     0.569  100.000   98.639
LGA    P    88_A      P    88_A     0.662     0    0.134   0.276     1.048   97.619   94.626
LGA    T    89_A      T    89_A     1.272     0    0.121   0.243     2.640   83.690   78.027
LGA    V    90_A      V    90_A     1.462     0    0.076   0.229     2.458   79.286   76.599

# 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):     1.321          1.210                  1.689           91.757   87.441

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     88    0.96    94.444    96.959     8.312

LGA_LOCAL      RMSD:   0.959  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.338  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.321  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.832884 * X  +  -0.542217 * Y  +   0.110928 * Z  + -11.642294
  Y_new =  -0.088342 * X  +  -0.067613 * Y  +  -0.993793 * Z  +  20.645437
  Z_new =   0.546352 * X  +  -0.837514 * Y  +   0.008413 * Z  +  -4.891371 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.035920 -0.578002 -1.560751   [DEG: -173.9454  -33.1171  -89.4245 ]
ZXZ:  0.111161  1.562383  2.563567   [DEG:    6.3691   89.5180  146.8816 ]
 
# END of job
