
#######################################################
#                                                     #
#                        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   94 (  747),  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        2.12     2.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       1_A - 53_A        1.89     2.18
  LONGEST_CONTINUOUS_SEGMENT:    53       2_A - 54_A        2.00     2.15
  LCS_AVERAGE:     50.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47       2_A - 48_A        1.00     2.38
  LCS_AVERAGE:     42.81

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     34   53   90      3    5   51   67   78   82   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     47   53   90     32   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     47   53   90     29   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     47   53   90     20   57   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     47   53   90     20   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     47   53   90     22   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     47   53   90     22   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     47   53   90     25   58   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     47   53   90     24   58   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     47   53   90     31   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     47   53   90     22   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     47   53   90     15   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     47   53   90     15   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     47   53   90     15   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     47   53   90     15   55   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     47   53   90     19   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     47   53   90      9   27   42   77   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     47   53   90     16   32   65   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     47   53   90     16   29   67   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     47   53   90     16   58   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     47   53   90     16   56   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     47   53   90     16   44   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     47   53   90     16   59   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     47   53   90     19   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     47   53   90     19   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     47   53   90     20   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     47   53   90     29   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     47   53   90     39   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     47   53   90     40   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     47   53   90     25   60   75   81   82   83   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     24   60   75   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     39   53   90      4   27   69   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     18   53   90      4   11   29   52   78   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     18   53   90      4    8   17   36   55   78   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      4    5    5   10   15   24   34   43   61   81   87   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A      3   53   90      3    3    4    5   19   28   73   83   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      3   27   90      3    3   13   22   34   45   75   83   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      3   35   90      0    3    4    5    9   23   36   44   60   81   87   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   35   90      0    3    8   26   45   76   81   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   35   90     10   58   75   81   82   83   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   83   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     16   58   75   81   82   83   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      8   50   71   81   82   83   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      4   50   70   81   82   83   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     40   60   75   81   82   83   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   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     40   60   75   81   82   83   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     29   60   75   81   82   83   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     23   59   75   81   82   83   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     22   55   71   81   82   83   84   85   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  64.53  (  42.81   50.79  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     40     60     75     81     82     83     84     85     87     88     88     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  44.44  66.67  83.33  90.00  91.11  92.22  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    0.32   0.54   0.79   0.93   0.98   1.08   1.15   1.27   1.57   1.73   1.73   2.12   2.12   2.12   2.12   2.12   2.12   2.12   2.12   2.12
GDT RMS_ALL_AT   2.45   2.36   2.35   2.31   2.31   2.27   2.27   2.24   2.17   2.14   2.14   2.12   2.12   2.12   2.12   2.12   2.12   2.12   2.12   2.12

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    13_A      E    13_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:  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:  F    66_A      F    66_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     3.604     0    0.653   1.420     6.326   47.500   40.774
LGA    L     2_A      L     2_A     0.472     0    0.326   1.226     3.052   93.214   83.631
LGA    F     3_A      F     3_A     0.970     0    0.223   0.252     1.236   85.952   87.186
LGA    E     4_A      E     4_A     1.618     0    0.201   0.606     4.144   72.857   65.397
LGA    G     5_A      G     5_A     2.024     0    0.069   0.069     2.024   70.833   70.833
LGA    D     6_A      D     6_A     1.862     0    0.086   0.136     3.059   75.119   66.190
LGA    K     7_A      K     7_A     1.301     0    0.088   1.162     5.685   79.286   60.635
LGA    F     8_A      F     8_A     0.834     0    0.082   0.158     1.077   88.214   91.385
LGA    V     9_A      V     9_A     0.645     0    0.054   0.092     0.717   90.476   93.197
LGA    G    10_A      G    10_A     0.649     0    0.030   0.030     0.980   90.476   90.476
LGA    S    11_A      S    11_A     1.085     0    0.038   0.049     1.422   90.595   87.540
LGA    F    12_A      F    12_A     0.811     0    0.037   0.148     1.033   88.214   90.563
LGA    E    13_A      E    13_A     1.244     0    0.065   0.856     5.086   81.429   58.995
LGA    N    14_A      N    14_A     1.131     0    0.107   0.252     1.366   85.952   84.821
LGA    A    15_A      A    15_A     0.185     0    0.113   0.116     0.620   97.619   98.095
LGA    A    16_A      A    16_A     0.278     0    0.036   0.037     0.595  100.000   98.095
LGA    A    17_A      A    17_A     0.477     0    0.026   0.025     0.570   97.619   96.190
LGA    G    18_A      G    18_A     0.449     0    0.029   0.029     0.581   95.238   95.238
LGA    T    19_A      T    19_A     0.556     0    0.017   0.071     0.763   90.476   91.837
LGA    F    20_A      F    20_A     0.505     0    0.019   0.055     0.827   92.857   92.208
LGA    V    21_A      V    21_A     0.713     0    0.031   0.037     0.771   90.476   90.476
LGA    L    22_A      L    22_A     0.581     0    0.085   1.390     3.219   92.857   80.238
LGA    D    23_A      D    23_A     0.652     0    0.032   0.087     0.872   90.476   90.476
LGA    M    24_A      M    24_A     0.522     0    0.018   0.745     2.506   90.476   88.690
LGA    Y    25_A      Y    25_A     0.417     0    0.019   1.464     8.809   95.238   58.571
LGA    A    26_A      A    26_A     0.685     0    0.013   0.015     0.746   90.476   90.476
LGA    Y    27_A      Y    27_A     0.350     0    0.014   0.283     1.211   97.619   92.937
LGA    E    28_A      E    28_A     0.632     0    0.017   0.641     2.537   90.476   84.762
LGA    R    29_A      R    29_A     0.822     0    0.013   1.489     8.165   88.214   57.749
LGA    L    30_A      L    30_A     0.956     0    0.074   0.090     1.422   88.214   85.952
LGA    A    31_A      A    31_A     0.704     0    0.034   0.036     0.792   90.476   90.476
LGA    N    32_A      N    32_A     1.127     0    0.023   0.421     1.800   81.548   80.417
LGA    S    33_A      S    33_A     1.513     0    0.069   0.073     2.110   79.286   74.444
LGA    I    34_A      I    34_A     0.632     0    0.676   1.406     4.459   82.143   70.238
LGA    S    35_A      S    35_A     2.704     0    0.154   0.232     5.198   73.214   58.413
LGA    T    36_A      T    36_A     2.297     0    0.073   0.162     2.917   64.762   62.585
LGA    E    37_A      E    37_A     2.165     0    0.010   0.732     3.849   68.810   60.899
LGA    K    38_A      K    38_A     1.321     0    0.044   1.042     5.871   81.548   63.175
LGA    L    39_A      L    39_A     1.252     0    0.032   0.136     1.564   81.429   80.357
LGA    R    40_A      R    40_A     1.540     0    0.040   1.462     6.578   77.143   60.996
LGA    Q    41_A      Q    41_A     1.262     0    0.062   1.203     5.506   81.429   66.825
LGA    Y    42_A      Y    42_A     0.727     0    0.041   0.229     0.993   92.857   91.270
LGA    A    43_A      A    43_A     0.758     0    0.044   0.045     0.815   90.476   90.476
LGA    S    44_A      S    44_A     0.666     0    0.087   0.658     2.640   90.476   84.921
LGA    T    45_A      T    45_A     0.398     0    0.019   0.106     0.451  100.000  100.000
LGA    Y    46_A      Y    46_A     0.309     0    0.046   0.066     0.810   97.619   96.032
LGA    N    47_A      N    47_A     0.357     0    0.046   0.073     0.747   97.619   95.238
LGA    K    48_A      K    48_A     0.534     0    0.100   0.772     3.450   92.857   87.090
LGA    Y    49_A      Y    49_A     0.711     0    0.025   0.093     1.050   88.214   94.484
LGA    K    50_A      K    50_A     1.678     0    0.059   0.073     3.501   63.690   74.603
LGA    Y    51_A      Y    51_A     4.052     0    0.186   0.170     5.950   36.786   45.992
LGA    Y    52_A      Y    52_A     5.009     0    0.042   0.122     7.509   20.952   22.143
LGA    S    53_A      S    53_A     9.215     0    0.360   0.563    12.869    3.690    2.460
LGA    G    54_A      G    54_A     6.376     0    0.308   0.308     6.838   14.286   14.286
LGA    S    55_A      S    55_A     7.450     0    0.105   0.601     9.966    6.667    6.190
LGA    A    56_A      A    56_A     9.418     0    0.597   0.540    10.582    2.857    2.286
LGA    S    57_A      S    57_A     6.665     0    0.537   0.783     7.877   23.690   18.175
LGA    E    58_A      E    58_A     1.747     0    0.499   1.289     9.668   71.429   38.307
LGA    A    59_A      A    59_A     1.309     0    0.338   0.353     2.248   75.119   76.381
LGA    D    60_A      D    60_A     1.107     0    0.285   1.178     3.605   85.952   75.774
LGA    Y    61_A      Y    61_A     1.590     0    0.045   0.087     1.849   77.143   77.857
LGA    R    62_A      R    62_A     1.631     0    0.073   1.287     8.572   77.143   48.442
LGA    L    63_A      L    63_A     0.691     0    0.027   0.998     2.687   90.476   85.476
LGA    A    64_A      A    64_A     0.478     0    0.077   0.077     0.641   95.238   94.286
LGA    C    65_A      C    65_A     0.518     0    0.089   0.106     0.803   92.857   92.063
LGA    F    66_A      F    66_A     0.659     0    0.037   0.254     1.076   90.476   89.697
LGA    A    67_A      A    67_A     0.579     0    0.017   0.017     0.606   90.476   90.476
LGA    H    68_A      H    68_A     0.569     0    0.012   1.304     5.225   90.476   72.000
LGA    L    69_A      L    69_A     0.622     0    0.058   0.128     0.810   90.476   90.476
LGA    A    70_A      A    70_A     0.775     0    0.085   0.084     0.998   90.476   90.476
LGA    K    71_A      K    71_A     0.342     0    0.022   0.622     2.017   97.619   90.952
LGA    A    72_A      A    72_A     0.415     0    0.070   0.072     0.482  100.000  100.000
LGA    M    73_A      M    73_A     0.628     0    0.017   0.680     2.679   90.476   84.107
LGA    M    74_A      M    74_A     0.593     0    0.055   0.800     2.258   95.238   89.643
LGA    D    75_A      D    75_A     0.360     0    0.031   0.045     0.518  100.000   98.810
LGA    Y    76_A      Y    76_A     0.427     0    0.036   0.181     1.004  100.000   95.278
LGA    A    77_A      A    77_A     0.494     0    0.088   0.094     0.575   95.238   96.190
LGA    S    78_A      S    78_A     0.648     0    0.072   0.555     1.840   90.476   87.540
LGA    N    79_A      N    79_A     0.469     0    0.623   1.147     3.902   84.524   71.548
LGA    H    80_A      H    80_A     0.303     0    0.146   0.709     1.740   97.619   92.667
LGA    N    81_A      N    81_A     0.354     0    0.024   1.122     2.414  100.000   91.190
LGA    D    82_A      D    82_A     0.467     0    0.031   0.135     0.777   95.238   95.238
LGA    T    83_A      T    83_A     0.574     0    0.030   0.081     0.727   90.476   90.476
LGA    L    84_A      L    84_A     0.669     0    0.023   0.082     1.350   90.476   87.083
LGA    Y    85_A      Y    85_A     0.546     0    0.033   0.150     0.598   90.476   96.825
LGA    T    86_A      T    86_A     0.752     0    0.023   0.099     1.110   90.476   86.599
LGA    P    87_A      P    87_A     0.447     0    0.027   0.261     1.091   92.857   90.544
LGA    P    88_A      P    88_A     1.056     0    0.097   0.306     1.740   88.214   85.374
LGA    T    89_A      T    89_A     0.872     0    0.080   0.203     1.184   88.214   87.891
LGA    V    90_A      V    90_A     1.602     0    0.057   1.217     3.146   77.143   70.884

# 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):     2.121          2.130                  2.564           82.061   77.429

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   94   90    4.0     85    1.27    87.778    81.041     6.209

LGA_LOCAL      RMSD:   1.269  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.239  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   2.121  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.742844 * X  +   0.669459 * Y  +   0.002857 * Z  + -14.362535
  Y_new =   0.666318 * X  +  -0.739758 * Y  +   0.093692 * Z  +  46.539509
  Z_new =   0.064837 * X  +  -0.067695 * Y  +  -0.995597 * Z  +   8.727280 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.731145 -0.064882 -3.073703   [DEG:   41.8915   -3.7175 -176.1102 ]
ZXZ:  3.111106  3.047719  2.377757   [DEG:  178.2533  174.6214  136.2354 ]
 
# END of job
