
#######################################################
#                                                     #
#                        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   99 (  788),  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        1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50       1_A - 50_A        0.99     1.95
  LONGEST_CONTINUOUS_SEGMENT:    50       2_A - 51_A        0.98     1.91
  LCS_AVERAGE:     46.02

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     50   90   90     10   29   56   76   79   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     50   90   90     33   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     50   90   90     11   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     50   90   90     11   43   76   77   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     50   90   90     11   18   35   60   79   82   85   85   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     50   90   90     11   23   40   77   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     50   90   90     11   28   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     50   90   90     11   28   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     50   90   90     11   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     50   90   90     16   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     50   90   90     38   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     50   90   90     38   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     50   90   90     10   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     50   90   90     16   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     50   90   90     47   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     50   90   90     50   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     50   90   90     41   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     50   90   90     50   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     50   90   90     22   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     50   90   90     34   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     50   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     50   90   90      8   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     50   90   90     22   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     50   90   90      4   29   71   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     46   90   90      4   12   34   75   79   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     11   90   90      4    9   16   35   66   78   83   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     11   90   90      4    9   15   25   41   72   82   85   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     11   90   90      4   10   16   26   42   69   80   85   86   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      7   90   90      4    6    7   15   25   42   59   80   86   87   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      2    3    3   42   75   78   83   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4    4   62   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   35   76   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     13   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     22   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     50   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     44   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     52   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     22   73   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90      4   66   76   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      4   24   75   78   80   82   85   86   87   89   89   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  82.01  (  46.02  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     52     73     76     78     80     82     85     86     87     89     89     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  57.78  81.11  84.44  86.67  88.89  91.11  94.44  95.56  96.67  98.89  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.50   0.58   0.70   0.78   0.89   1.09   1.29   1.34   1.60   1.60   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76
GDT RMS_ALL_AT   1.86   1.87   1.86   1.83   1.87   1.86   1.85   1.79   1.80   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     3.138     0    0.300   0.910     4.493   56.190   64.762
LGA    L     2_A      L     2_A     0.911     0    0.100   1.159     3.090   86.071   77.798
LGA    F     3_A      F     3_A     1.305     0    0.047   1.353     4.462   83.690   66.710
LGA    E     4_A      E     4_A     0.733     0    0.163   0.600     1.461   85.952   86.455
LGA    G     5_A      G     5_A     2.459     0    0.026   0.026     3.031   61.190   61.190
LGA    D     6_A      D     6_A     3.850     0    0.027   0.213     5.247   45.000   38.274
LGA    K     7_A      K     7_A     3.002     0    0.023   1.110     6.434   59.405   50.582
LGA    F     8_A      F     8_A     1.966     0    0.038   0.271     2.580   66.905   75.455
LGA    V     9_A      V     9_A     1.428     0    0.075   0.086     1.557   81.429   81.497
LGA    G    10_A      G    10_A     0.878     0    0.027   0.027     1.125   88.214   88.214
LGA    S    11_A      S    11_A     0.842     0    0.037   0.049     1.038   92.857   90.556
LGA    F    12_A      F    12_A     0.495     0    0.014   0.102     0.645   92.857   91.342
LGA    E    13_A      E    13_A     1.016     0    0.011   0.212     2.470   83.690   76.878
LGA    N    14_A      N    14_A     0.961     0    0.025   0.161     1.100   88.214   88.214
LGA    A    15_A      A    15_A     0.564     0    0.131   0.144     0.585   95.238   96.190
LGA    A    16_A      A    16_A     0.307     0    0.058   0.066     0.528   97.619   98.095
LGA    A    17_A      A    17_A     0.547     0    0.014   0.019     0.771   95.238   94.286
LGA    G    18_A      G    18_A     0.346     0    0.027   0.027     0.377  100.000  100.000
LGA    T    19_A      T    19_A     0.200     0    0.031   0.082     0.621  100.000   98.639
LGA    F    20_A      F    20_A     0.227     0    0.032   0.098     0.345  100.000  100.000
LGA    V    21_A      V    21_A     0.148     0    0.036   0.066     0.563  100.000   98.639
LGA    L    22_A      L    22_A     0.381     0    0.144   0.177     0.528   97.619   96.429
LGA    D    23_A      D    23_A     0.459     0    0.032   0.146     0.815   97.619   95.238
LGA    M    24_A      M    24_A     0.440     0    0.018   1.109     6.082  100.000   77.381
LGA    Y    25_A      Y    25_A     0.404     0    0.076   1.324     8.399   97.619   61.111
LGA    A    26_A      A    26_A     0.429     0    0.007   0.010     0.523  100.000   98.095
LGA    Y    27_A      Y    27_A     0.067     0    0.040   0.344     0.844  100.000   96.825
LGA    E    28_A      E    28_A     0.880     0    0.033   0.639     4.491   90.476   66.455
LGA    R    29_A      R    29_A     0.964     0    0.009   1.580     6.759   90.476   57.662
LGA    L    30_A      L    30_A     0.571     0    0.052   0.065     1.060   92.857   90.536
LGA    A    31_A      A    31_A     0.052     0    0.038   0.043     0.153  100.000  100.000
LGA    N    32_A      N    32_A     0.555     0    0.187   0.492     1.412   90.595   89.464
LGA    S    33_A      S    33_A     0.778     0    0.124   0.127     1.172   88.214   88.968
LGA    I    34_A      I    34_A     0.591     0    0.120   0.259     0.948   92.857   91.667
LGA    S    35_A      S    35_A     0.427     0    0.075   0.559     1.979   97.619   93.889
LGA    T    36_A      T    36_A     0.662     0    0.022   0.114     0.836   90.476   90.476
LGA    E    37_A      E    37_A     0.698     0    0.086   1.144     4.089   90.476   74.286
LGA    K    38_A      K    38_A     0.888     0    0.029   0.639     1.325   90.476   88.466
LGA    L    39_A      L    39_A     0.733     0    0.016   1.345     2.803   90.476   79.940
LGA    R    40_A      R    40_A     0.423     0    0.004   0.447     1.618   97.619   90.693
LGA    Q    41_A      Q    41_A     0.484     0    0.019   0.772     2.392  100.000   90.847
LGA    Y    42_A      Y    42_A     0.459     0    0.024   0.105     0.904  100.000   93.651
LGA    A    43_A      A    43_A     0.395     0    0.018   0.017     0.448  100.000  100.000
LGA    S    44_A      S    44_A     0.301     0    0.018   0.071     0.402  100.000  100.000
LGA    T    45_A      T    45_A     0.319     0    0.055   0.088     0.351  100.000  100.000
LGA    Y    46_A      Y    46_A     0.328     0    0.015   0.084     0.556  100.000   99.206
LGA    N    47_A      N    47_A     0.481     0    0.091   0.101     0.701   95.238   94.048
LGA    K    48_A      K    48_A     0.551     0    0.146   1.146     5.784   90.476   72.063
LGA    Y    49_A      Y    49_A     0.803     0    0.170   0.212     1.758   83.810   85.992
LGA    K    50_A      K    50_A     0.746     0    0.010   0.088     1.930   86.190   83.651
LGA    Y    51_A      Y    51_A     2.448     0    0.069   0.078     3.310   61.190   57.897
LGA    Y    52_A      Y    52_A     3.389     0    0.070   0.156     6.618   48.452   35.516
LGA    S    53_A      S    53_A     4.940     0    0.102   0.666     7.359   27.976   24.683
LGA    G    54_A      G    54_A     5.639     0    0.168   0.168     5.759   22.619   22.619
LGA    S    55_A      S    55_A     6.524     0    0.057   0.582     9.473   14.286   11.429
LGA    A    56_A      A    56_A     7.455     0    0.665   0.602     8.240   13.571   11.810
LGA    S    57_A      S    57_A     5.005     0    0.635   0.716     8.163   35.952   26.984
LGA    E    58_A      E    58_A     3.176     0    0.624   1.380    11.472   59.167   29.206
LGA    A    59_A      A    59_A     2.268     0    0.075   0.077     2.594   69.048   68.190
LGA    D    60_A      D    60_A     0.638     0    0.256   0.896     2.708   90.476   79.762
LGA    Y    61_A      Y    61_A     1.032     0    0.054   0.068     1.035   85.952   88.968
LGA    R    62_A      R    62_A     1.192     0    0.036   1.163     9.107   85.952   51.688
LGA    L    63_A      L    63_A     0.776     0    0.015   1.004     3.330   90.476   84.286
LGA    A    64_A      A    64_A     0.308     0    0.015   0.019     0.484  100.000  100.000
LGA    C    65_A      C    65_A     0.465     0    0.017   0.049     0.558   97.619   95.238
LGA    F    66_A      F    66_A     0.614     0    0.032   0.068     1.020   90.476   89.654
LGA    A    67_A      A    67_A     0.415     0    0.020   0.021     0.495  100.000  100.000
LGA    H    68_A      H    68_A     0.222     0    0.025   0.372     0.901  100.000   97.143
LGA    L    69_A      L    69_A     0.317     0    0.019   0.061     0.426  100.000  100.000
LGA    A    70_A      A    70_A     0.407     0    0.024   0.023     0.472  100.000  100.000
LGA    K    71_A      K    71_A     0.318     0    0.025   0.383     1.533  100.000   95.926
LGA    A    72_A      A    72_A     0.243     0    0.028   0.029     0.348  100.000  100.000
LGA    M    73_A      M    73_A     0.382     0    0.029   0.084     0.684  100.000   96.429
LGA    M    74_A      M    74_A     0.349     0    0.060   0.219     1.210  100.000   95.298
LGA    D    75_A      D    75_A     0.229     0    0.051   0.080     0.658   97.619   97.619
LGA    Y    76_A      Y    76_A     0.594     0    0.055   0.214     0.890   92.857   92.857
LGA    A    77_A      A    77_A     0.642     0    0.060   0.064     0.806   90.476   90.476
LGA    S    78_A      S    78_A     0.530     0    0.020   0.666     2.327   97.619   90.952
LGA    N    79_A      N    79_A     0.157     0    0.035   1.174     4.410  100.000   85.417
LGA    H    80_A      H    80_A     0.230     0    0.050   0.723     2.297   97.619   90.905
LGA    N    81_A      N    81_A     0.457     0    0.064   1.118     2.920  100.000   88.869
LGA    D    82_A      D    82_A     0.138     0    0.060   0.134     0.881   97.619   95.238
LGA    T    83_A      T    83_A     0.454     0    0.039   0.081     1.046  100.000   94.626
LGA    L    84_A      L    84_A     0.175     0    0.036   0.070     0.489  100.000  100.000
LGA    Y    85_A      Y    85_A     0.169     0    0.015   0.090     0.504  100.000   99.206
LGA    T    86_A      T    86_A     0.143     0    0.030   0.155     0.515  100.000   98.639
LGA    P    87_A      P    87_A     0.396     0    0.064   0.098     0.659   97.619   97.279
LGA    P    88_A      P    88_A     0.865     0    0.134   0.282     1.093   92.857   89.252
LGA    T    89_A      T    89_A     1.123     0    0.022   1.177     4.489   85.952   72.993
LGA    V    90_A      V    90_A     1.814     0    0.108   0.182     4.154   63.452   55.850

# 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):     1.759          1.727                  2.253           86.865   81.930

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   99   90    4.0     86    1.29    90.833    94.332     6.202

LGA_LOCAL      RMSD:   1.287  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.786  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.759  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.663135 * X  +   0.709090 * Y  +  -0.239672 * Z  + -18.895277
  Y_new =  -0.737038 * X  +   0.674422 * Y  +  -0.043933 * Z  +  10.707164
  Z_new =   0.130487 * X  +   0.205781 * Y  +   0.969859 * Z  +  -9.942433 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.838130 -0.130861  0.209075   [DEG:  -48.0213   -7.4978   11.9791 ]
ZXZ: -1.389504  0.246143  0.565123   [DEG:  -79.6127   14.1030   32.3792 ]
 
# END of job
