
#######################################################
#                                                     #
#                        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  101 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.27     2.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.96     2.28
  LONGEST_CONTINUOUS_SEGMENT:    94       4_A - 99_A        1.88     2.30
  LCS_AVERAGE:     96.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       7_A - 46_A        0.99     2.94
  LCS_AVERAGE:     33.08

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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     A     2_A     A     2_A      3    4   96      3    4    4    4    5    5    5    5   35   40   54   58   68   70   79   95   96   96   96   96 
LCS_GDT     K     3_A     K     3_A      3   94   96      3    4    4    6    7   26   50   75   84   90   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E     4_A     E     4_A      3   94   96      3    4   47   67   81   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R     5_A     R     5_A      3   94   96      3    3    4   26   35   77   86   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A     6_A     A     6_A     36   94   96      3    3    4   27   58   77   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L     7_A     L     7_A     40   94   96      7   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     T     8_A     T     8_A     40   94   96     17   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L     9_A     L     9_A     40   94   96     17   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    10_A     E    10_A     40   94   96     17   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    11_A     A    11_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    12_A     L    12_A     40   94   96     17   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    13_A     R    13_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    14_A     V    14_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     M    15_A     M    15_A     40   94   96     18   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    16_A     D    16_A     40   94   96     18   32   58   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    17_A     A    17_A     40   94   96     18   33   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     I    18_A     I    18_A     40   94   96     18   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    19_A     D    19_A     40   94   96     18   32   48   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    20_A     R    20_A     40   94   96     17   32   48   72   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    21_A     R    21_A     40   94   96     17   32   48   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    22_A     G    22_A     40   94   96     17   31   48   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    23_A     S    23_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     F    24_A     F    24_A     40   94   96     16   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    25_A     A    25_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    26_A     A    26_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    27_A     A    27_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    28_A     A    28_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    29_A     D    29_A     40   94   96     18   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    30_A     E    30_A     40   94   96     18   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    31_A     L    31_A     40   94   96     18   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    32_A     G    32_A     40   94   96     18   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    33_A     R    33_A     40   94   96     15   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    34_A     V    34_A     40   94   96      8   35   60   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     P    35_A     P    35_A     40   94   96      9   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    36_A     S    36_A     40   94   96      8   32   57   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    37_A     A    37_A     40   94   96     18   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    38_A     L    38_A     40   94   96     18   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    39_A     S    39_A     40   94   96     14   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     Y    40_A     Y    40_A     40   94   96     15   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    41_A     T    41_A     40   94   96     10   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     M    42_A     M    42_A     40   94   96     10   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     Q    43_A     Q    43_A     40   94   96     10   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     K    44_A     K    44_A     40   94   96     10   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    45_A     L    45_A     40   94   96     10   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    46_A     E    46_A     40   94   96     11   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    47_A     E    47_A     34   94   96     10   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    48_A     E    48_A     34   94   96     10   25   47   65   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    49_A     L    49_A     34   94   96     10   25   47   75   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    50_A     D    50_A     34   94   96      9   38   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    51_A     V    51_A     34   94   96     12   39   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    52_A     V    52_A     34   94   96     12   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    53_A     L    53_A     34   94   96     12   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     F    54_A     F    54_A     34   94   96     12   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    55_A     D    55_A     34   94   96      8   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    56_A     R    56_A     26   94   96      3    4    5   37   63   78   85   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    57_A     S    57_A     26   94   96      3   14   32   56   72   84   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    60_A     R    60_A     27   94   96      3   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    61_A     T    61_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     K    62_A     K    62_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     F    63_A     F    63_A     29   94   96     12   39   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    64_A     T    64_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     N    65_A     N    65_A     29   94   96     12   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    66_A     V    66_A     29   94   96     12   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    67_A     G    67_A     29   94   96     12   34   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    68_A     R    68_A     29   94   96     11   26   57   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     M    69_A     M    69_A     29   94   96     12   33   58   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    70_A     L    70_A     29   94   96     12   33   58   75   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    71_A     L    71_A     29   94   96     10   26   58   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    72_A     E    72_A     29   94   96      5   13   52   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    73_A     R    73_A     29   94   96      8   35   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    74_A     G    74_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    75_A     R    75_A     29   94   96     11   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    76_A     V    76_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    77_A     L    77_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    78_A     L    78_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    79_A     E    79_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    80_A     A    80_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    81_A     A    81_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    82_A     D    82_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     K    83_A     K    83_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    84_A     L    84_A     29   94   96     12   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    85_A     T    85_A     29   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    86_A     T    86_A     29   94   96     10   29   57   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    87_A     D    87_A     29   94   96      7   27   57   74   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    88_A     A    88_A     29   94   96     10   38   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    89_A     E    89_A     29   94   96      9   31   57   75   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    90_A     A    90_A     28   94   96      7   17   40   67   83   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    91_A     L    91_A     26   94   96      7   18   47   72   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    92_A     A    92_A     26   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    93_A     R    93_A     23   94   96      5   11   23   48   76   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    94_A     L    94_A     21   94   96      5   10   19   25   44   66   87   91   92   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    95_A     E    95_A     21   94   96      4   15   36   56   83   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    96_A     H    96_A     19   94   96     13   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    97_A     H    97_A      4   94   96      9   25   52   72   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    98_A     H    98_A      4   94   96      3   40   61   76   84   87   89   91   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    99_A     H    99_A      3   94   96      3   11   25   60   75   83   86   90   93   94   95   95   95   95   95   95   96   96   96   96 
LCS_AVERAGE  LCS_A:  76.67  (  33.08   96.94  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     18     40     61     76     84     87     89     91     93     94     95     95     95     95     95     95     96     96     96     96 
GDT PERCENT_AT  18.75  41.67  63.54  79.17  87.50  90.62  92.71  94.79  96.88  97.92  98.96  98.96  98.96  98.96  98.96  98.96 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.71   0.98   1.21   1.38   1.47   1.56   1.68   1.81   1.88   2.01   2.01   2.01   2.01   2.01   2.01   2.27   2.27   2.27   2.27
GDT RMS_ALL_AT   3.45   2.31   2.31   2.34   2.32   2.32   2.31   2.30   2.30   2.30   2.28   2.28   2.28   2.28   2.28   2.28   2.27   2.27   2.27   2.27

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    10.922     0    0.344   0.331    13.403    0.476    0.381
LGA    K     3_A      K     3_A     7.342     0    0.423   0.822    10.434   16.786   10.317
LGA    E     4_A      E     4_A     3.096     0    0.575   1.099     6.869   35.357   34.392
LGA    R     5_A      R     5_A     5.197     0    0.269   1.081    16.828   32.619   12.641
LGA    A     6_A      A     6_A     3.863     0    0.592   0.586     5.627   55.595   48.762
LGA    L     7_A      L     7_A     0.788     0    0.166   0.189     4.634   88.214   68.810
LGA    T     8_A      T     8_A     1.210     0    0.034   1.095     2.927   81.429   76.735
LGA    L     9_A      L     9_A     1.070     0    0.047   0.088     1.444   85.952   83.690
LGA    E    10_A      E    10_A     0.615     0    0.032   1.122     4.098   90.476   71.852
LGA    A    11_A      A    11_A     0.875     0    0.027   0.028     0.972   90.476   90.476
LGA    L    12_A      L    12_A     1.084     0    0.042   1.000     3.445   83.690   78.690
LGA    R    13_A      R    13_A     0.732     0    0.045   1.181     2.490   88.214   81.905
LGA    V    14_A      V    14_A     0.632     0    0.029   1.270     3.074   90.476   81.020
LGA    M    15_A      M    15_A     1.329     0    0.025   0.922     2.327   79.286   76.190
LGA    D    16_A      D    16_A     1.771     0    0.033   0.435     3.386   75.000   69.048
LGA    A    17_A      A    17_A     1.446     0    0.031   0.036     1.553   79.286   79.714
LGA    I    18_A      I    18_A     1.193     0    0.031   0.652     1.741   77.143   80.476
LGA    D    19_A      D    19_A     2.197     0    0.028   0.428     3.915   64.881   61.190
LGA    R    20_A      R    20_A     2.500     0    0.036   1.061     3.145   60.952   62.078
LGA    R    21_A      R    21_A     2.222     0    0.135   1.159     3.563   62.857   64.372
LGA    G    22_A      G    22_A     2.301     0    0.098   0.098     2.301   70.952   70.952
LGA    S    23_A      S    23_A     0.364     0    0.052   0.566     1.121   92.976   90.635
LGA    F    24_A      F    24_A     0.345     0    0.054   0.182     1.780   97.619   88.225
LGA    A    25_A      A    25_A     0.824     0    0.031   0.048     1.075   88.214   86.857
LGA    A    26_A      A    26_A     0.879     0    0.047   0.049     1.151   90.476   88.667
LGA    A    27_A      A    27_A     0.753     0    0.026   0.038     0.983   90.476   90.476
LGA    A    28_A      A    28_A     0.955     0    0.025   0.037     1.458   85.952   85.048
LGA    D    29_A      D    29_A     1.600     0    0.029   0.555     4.103   75.000   65.536
LGA    E    30_A      E    30_A     1.649     0    0.037   0.572     2.279   72.857   71.958
LGA    L    31_A      L    31_A     1.556     0    0.123   0.129     2.038   70.833   77.262
LGA    G    32_A      G    32_A     2.004     0    0.069   0.069     2.147   66.786   66.786
LGA    R    33_A      R    33_A     2.026     0    0.036   1.083     8.979   70.833   46.147
LGA    V    34_A      V    34_A     2.169     0    0.021   1.155     3.677   68.810   64.082
LGA    P    35_A      P    35_A     1.557     0    0.033   0.085     2.380   75.000   71.769
LGA    S    36_A      S    36_A     2.133     0    0.122   0.603     4.217   70.952   63.016
LGA    A    37_A      A    37_A     1.447     0    0.043   0.043     1.653   81.548   79.810
LGA    L    38_A      L    38_A     0.994     0    0.031   0.978     3.256   85.952   80.893
LGA    S    39_A      S    39_A     1.179     0    0.033   0.686     1.794   85.952   83.016
LGA    Y    40_A      Y    40_A     0.775     0    0.033   0.251     1.210   90.476   91.310
LGA    T    41_A      T    41_A     0.578     0    0.027   0.065     0.631   90.476   91.837
LGA    M    42_A      M    42_A     0.834     0    0.035   1.228     5.305   90.476   75.417
LGA    Q    43_A      Q    43_A     0.783     0    0.046   0.831     4.511   85.952   66.190
LGA    K    44_A      K    44_A     1.400     0    0.055   0.590     3.935   79.286   65.873
LGA    L    45_A      L    45_A     1.581     0    0.030   0.139     1.707   75.000   73.929
LGA    E    46_A      E    46_A     1.452     0    0.033   0.244     2.119   79.286   76.720
LGA    E    47_A      E    47_A     1.532     0    0.027   0.375     2.148   75.000   72.011
LGA    E    48_A      E    48_A     2.288     0    0.074   0.991     3.098   66.786   62.328
LGA    L    49_A      L    49_A     2.231     0    0.129   0.172     3.365   70.952   63.214
LGA    D    50_A      D    50_A     1.190     0    0.111   1.037     3.816   81.548   69.762
LGA    V    51_A      V    51_A     1.090     0    0.072   0.166     2.574   79.286   73.129
LGA    V    52_A      V    52_A     0.786     0    0.030   1.068     2.706   90.476   81.905
LGA    L    53_A      L    53_A     0.740     0    0.049   0.106     2.127   90.476   81.726
LGA    F    54_A      F    54_A     0.649     0    0.019   0.165     1.038   88.214   89.654
LGA    D    55_A      D    55_A     1.522     0    0.049   0.734     2.951   73.214   69.167
LGA    R    56_A      R    56_A     4.364     0    0.439   0.964     7.634   40.357   26.017
LGA    S    57_A      S    57_A     4.040     0    0.226   0.633     4.364   37.143   37.143
LGA    R    60_A      R    60_A     1.690     6    0.028   0.039     2.910   69.048   32.511
LGA    T    61_A      T    61_A     0.756     0    0.159   1.200     2.710   90.476   81.905
LGA    K    62_A      K    62_A     0.480     0    0.122   1.079     5.130   95.238   76.138
LGA    F    63_A      F    63_A     0.996     0    0.023   0.287     1.302   88.214   84.719
LGA    T    64_A      T    64_A     0.843     0    0.063   1.025     2.654   85.952   79.456
LGA    N    65_A      N    65_A     1.401     0    0.056   0.322     1.924   81.429   79.286
LGA    V    66_A      V    66_A     1.244     0    0.038   0.999     2.909   81.429   79.252
LGA    G    67_A      G    67_A     1.424     0    0.036   0.036     1.800   77.143   77.143
LGA    R    68_A      R    68_A     1.821     0    0.067   1.463     7.707   72.857   51.602
LGA    M    69_A      M    69_A     1.999     0    0.022   0.942     3.949   68.810   61.429
LGA    L    70_A      L    70_A     2.032     0    0.022   1.355     2.763   68.810   70.060
LGA    L    71_A      L    71_A     1.794     0    0.094   0.913     3.356   72.857   70.000
LGA    E    72_A      E    72_A     1.992     0    0.039   0.203     4.717   72.857   57.407
LGA    R    73_A      R    73_A     1.536     0    0.101   1.191     3.664   81.548   64.805
LGA    G    74_A      G    74_A     0.754     0    0.081   0.081     0.754   90.476   90.476
LGA    R    75_A      R    75_A     0.798     0    0.071   0.576     1.822   90.476   81.602
LGA    V    76_A      V    76_A     0.665     0    0.025   1.153     3.222   90.476   81.020
LGA    L    77_A      L    77_A     0.782     0    0.033   0.868     3.451   90.476   78.155
LGA    L    78_A      L    78_A     0.717     0    0.036   0.154     1.201   90.476   89.345
LGA    E    79_A      E    79_A     0.787     0    0.032   1.108     4.866   90.476   71.217
LGA    A    80_A      A    80_A     0.570     0    0.074   0.073     0.662   92.857   92.381
LGA    A    81_A      A    81_A     0.447     0    0.045   0.047     0.487  100.000  100.000
LGA    D    82_A      D    82_A     0.758     0    0.027   0.982     3.082   90.476   78.155
LGA    K    83_A      K    83_A     0.788     0    0.041   1.000     4.402   90.476   77.302
LGA    L    84_A      L    84_A     0.420     0    0.051   1.082     3.135   97.619   87.976
LGA    T    85_A      T    85_A     0.621     0    0.030   1.027     2.195   92.857   84.354
LGA    T    86_A      T    86_A     1.544     0    0.044   1.069     2.643   75.000   73.061
LGA    D    87_A      D    87_A     1.937     0    0.039   1.138     2.806   72.976   67.976
LGA    A    88_A      A    88_A     0.919     0    0.023   0.037     1.136   88.214   88.667
LGA    E    89_A      E    89_A     1.612     0    0.050   0.739     2.314   73.214   78.995
LGA    A    90_A      A    90_A     3.135     0    0.042   0.045     3.587   55.476   53.048
LGA    L    91_A      L    91_A     2.578     0    0.072   1.434     6.808   62.976   48.155
LGA    A    92_A      A    92_A     0.635     0    0.052   0.052     1.607   81.548   81.524
LGA    R    93_A      R    93_A     3.827     0    0.059   1.143    10.771   43.690   26.364
LGA    L    94_A      L    94_A     5.264     0    0.137   0.140     8.266   30.238   20.000
LGA    E    95_A      E    95_A     3.121     0    0.288   0.698     4.533   53.690   45.291
LGA    H    96_A      H    96_A     0.974     0    0.270   1.058     7.812   79.524   49.476
LGA    H    97_A      H    97_A     2.414     0    0.093   1.085     5.473   68.810   52.286
LGA    H    98_A      H    98_A     1.071     0    0.207   1.295     2.527   77.381   74.905
LGA    H    99_A      H    99_A     5.042     0    0.071   1.144    12.844   30.595   13.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.275          2.214                  3.192           75.749   68.975

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    1.68    78.646    87.941     5.125

LGA_LOCAL      RMSD:   1.675  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.302  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.275  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.474546 * X  +  -0.695721 * Y  +   0.539238 * Z  +  27.689053
  Y_new =   0.692829 * X  +  -0.673095 * Y  +  -0.258711 * Z  +  62.185772
  Z_new =   0.542949 * X  +   0.250830 * Y  +   0.801430 * Z  + -17.041395 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.171343 -0.573945  0.303320   [DEG:  124.4088  -32.8846   17.3790 ]
ZXZ:  1.123463  0.641113  1.138027   [DEG:   64.3697   36.7331   65.2042 ]
 
# END of job
