
#######################################################
#                                                     #
#                        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 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       3.16     3.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       2_B - 82_B        1.56     3.36
  LCS_AVERAGE:     62.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       4_B - 79_B        0.99     3.45
  LONGEST_CONTINUOUS_SEGMENT:    76       5_B - 80_B        0.95     3.42
  LCS_AVERAGE:     54.89

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     G     2_B     G     2_B     12   81  106      5   15   49   69   85   89   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V     3_B     V     3_B     27   81  106      4   15   49   69   85   89   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S     4_B     S     4_B     76   81  106      4   21   58   82   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     D     5_B     D     5_B     76   81  106      5   42   76   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V     6_B     V     6_B     76   81  106     33   73   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P     7_B     P     7_B     76   81  106     51   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     R     8_B     R     8_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     D     9_B     D     9_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     L    10_B     L    10_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     E    11_B     E    11_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V    12_B     V    12_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V    13_B     V    13_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     A    14_B     A    14_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     A    15_B     A    15_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     76   81  106     52   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    17_B     P    17_B     76   81  106     41   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    18_B     T    18_B     76   81  106     29   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    19_B     S    19_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     L    20_B     L    20_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     L    21_B     L    21_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     I    22_B     I    22_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     W    24_B     W    24_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     D    25_B     D    25_B     76   81  106     49   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     A    26_B     A    26_B     76   81  106     32   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    27_B     P    27_B     76   81  106      8   65   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    28_B     P    28_B     76   81  106      3   17   56   82   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     76   81  106      7   34   78   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    30_B     Y    30_B     76   81  106      4   65   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V    31_B     V    31_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     R    32_B     R    32_B     76   81  106     49   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    33_B     Y    33_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    34_B     Y    34_B     76   81  106     44   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     R    35_B     R    35_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     I    36_B     I    36_B     76   81  106     50   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    37_B     T    37_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    38_B     Y    38_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     G    39_B     G    39_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     E    40_B     E    40_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    41_B     T    41_B     76   81  106     45   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     G    42_B     G    42_B     76   81  106     18   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     G    43_B     G    43_B     76   81  106      8   74   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     N    44_B     N    44_B     76   81  106     11   34   75   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    45_B     S    45_B     76   81  106     18   69   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    46_B     P    46_B     76   81  106     18   65   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V    47_B     V    47_B     76   81  106     29   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Q    48_B     Q    48_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     E    49_B     E    49_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     F    50_B     F    50_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    51_B     T    51_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    53_B     P    53_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     G    54_B     G    54_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    55_B     S    55_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     K    56_B     K    56_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    57_B     S    57_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    58_B     T    58_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     A    59_B     A    59_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    60_B     T    60_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     I    61_B     I    61_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    62_B     S    62_B     76   81  106     37   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     G    63_B     G    63_B     76   81  106     41   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     L    64_B     L    64_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     K    65_B     K    65_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     76   81  106     42   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     G    67_B     G    67_B     76   81  106     40   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V    68_B     V    68_B     76   81  106     52   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     D    69_B     D    69_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    70_B     Y    70_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    71_B     T    71_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     I    72_B     I    72_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     V    74_B     V    74_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    75_B     Y    75_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     A    76_B     A    76_B     76   81  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     E    77_B     E    77_B     76   81  106     44   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     H    78_B     H    78_B     76   81  106     37   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    79_B     P    79_B     76   81  106     26   70   80   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    80_B     Y    80_B     76   81  106      4   59   80   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    81_B     Y    81_B     53   81  106      4   25   64   80   85   88   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     D    82_B     D    82_B      6   81  106      3    5   11   30   61   82   87   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    83_B     P    83_B      3   80  106      3    3    4    5    6   20   23   29   32   38   46   55   71  101  101  104  105  105  105  105 
LCS_GDT     S    84_B     S    84_B      4    6  106      3    3    4    5    5   14   16   21   29   43   51   97   99  101  104  104  105  105  105  105 
LCS_GDT     S    85_B     S    85_B      4    6  106      3    3    4    5   33   44   57   91   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    86_B     S    86_B      4    6  106      3    3    4    5    5    6    7   11   71   88   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    87_B     Y    87_B      4   14  106      3    3    4    4    5    6   14   38   84   92   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    88_B     Y    88_B      3   16  106      3    8   38   72   84   88   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     F    89_B     F    89_B     13   17  106     21   66   80   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    90_B     S    90_B     13   17  106     44   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    91_B     S    91_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     K    92_B     K    92_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P    93_B     P    93_B     13   17  106     52   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     I    94_B     I    94_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     S    95_B     S    95_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     I    96_B     I    96_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     N    97_B     N    97_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     Y    98_B     Y    98_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     R    99_B     R    99_B     13   17  106     53   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     T   100_B     T   100_B     13   17  106     31   75   81   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     P   101_B     P   101_B     13   17  106      3   21   71   84   87   90   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     H   102_B     H   102_B      5   17  106      3   14   64   81   87   89   92   93   95   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     H   103_B     H   103_B      5   17  106      3    5    5   21   37   67   87   91   94   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     H   104_B     H   104_B      5   17  106      3    4   10   21   38   57   79   91   92   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     H   105_B     H   105_B      4   17  106      3    9   20   32   63   84   87   91   94   96   98  100  102  103  104  104  105  105  105  105 
LCS_GDT     H   106_B     H   106_B      4    9  106      3    4    5   12   24   43   69   84   90   94   97   99  102  103  104  104  105  105  105  105 
LCS_GDT     H   107_B     H   107_B      3    3  106      3    3    3    3    6    7    7    9   18   28   32   46   68   71   86   96   99  102  104  105 
LCS_AVERAGE  LCS_A:  72.37  (  54.89   62.21  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     53     75     81     84     87     90     92     93     95     96     98    100    102    103    104    104    105    105    105    105 
GDT PERCENT_AT  50.00  70.75  76.42  79.25  82.08  84.91  86.79  87.74  89.62  90.57  92.45  94.34  96.23  97.17  98.11  98.11  99.06  99.06  99.06  99.06
GDT RMS_LOCAL    0.31   0.49   0.64   0.72   0.83   1.01   1.14   1.23   1.42   1.61   1.76   2.05   2.25   2.38   2.62   2.62   2.84   2.84   2.84   2.84
GDT RMS_ALL_AT   3.35   3.37   3.40   3.37   3.39   3.43   3.42   3.44   3.37   3.35   3.33   3.25   3.23   3.21   3.19   3.19   3.18   3.18   3.18   3.18

# Checking swapping
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  F    89_B      F    89_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     4.512     0    0.563   0.563     4.634   44.405   44.405
LGA    V     3_B      V     3_B     4.001     0    0.109   1.291     6.090   43.929   38.163
LGA    S     4_B      S     4_B     3.002     0    0.098   0.749     5.772   51.786   46.429
LGA    D     5_B      D     5_B     2.302     0    0.351   0.336     3.270   61.071   61.964
LGA    V     6_B      V     6_B     0.766     0    0.055   1.081     2.676   92.857   82.313
LGA    P     7_B      P     7_B     0.333     0    0.056   0.182     0.976  100.000   97.279
LGA    R     8_B      R     8_B     0.435     0    0.054   1.163     4.955  100.000   66.623
LGA    D     9_B      D     9_B     0.447     0    0.037   0.568     1.724  100.000   93.095
LGA    L    10_B      L    10_B     0.266     0    0.015   0.114     0.357  100.000  100.000
LGA    E    11_B      E    11_B     0.354     0    0.050   0.277     1.235  100.000   95.820
LGA    V    12_B      V    12_B     0.183     0    0.021   0.121     0.351  100.000  100.000
LGA    V    13_B      V    13_B     0.397     0    0.021   1.122     2.746  100.000   88.639
LGA    A    14_B      A    14_B     0.415     0    0.034   0.037     0.523  100.000   98.095
LGA    A    15_B      A    15_B     0.429     0    0.005   0.031     0.498  100.000  100.000
LGA    T    16_B      T    16_B     0.487     0    0.067   1.125     2.403   95.238   87.211
LGA    P    17_B      P    17_B     0.802     0    0.051   0.098     1.320   90.476   86.599
LGA    T    18_B      T    18_B     0.888     0    0.209   0.214     1.499   90.476   86.599
LGA    S    19_B      S    19_B     0.315     0    0.065   0.652     1.882   95.238   92.302
LGA    L    20_B      L    20_B     0.211     0    0.082   0.177     0.881  100.000   96.429
LGA    L    21_B      L    21_B     0.451     0    0.000   0.063     1.106  100.000   94.107
LGA    I    22_B      I    22_B     0.487     0    0.046   0.635     1.624   92.857   91.845
LGA    S    23_B      S    23_B     0.284     0    0.043   0.064     0.400  100.000  100.000
LGA    W    24_B      W    24_B     0.266     0    0.031   0.090     0.841  100.000   94.558
LGA    D    25_B      D    25_B     0.534     0    0.043   0.160     0.760   95.238   95.238
LGA    A    26_B      A    26_B     0.698     0    0.102   0.124     1.225   88.214   86.857
LGA    P    27_B      P    27_B     1.500     0    0.043   0.164     1.933   77.143   79.048
LGA    P    28_B      P    28_B     2.963     0    0.693   0.776     5.255   49.524   46.939
LGA    Y    29_B      Y    29_B     1.883     0    0.106   0.247     2.712   72.857   67.579
LGA    Y    30_B      Y    30_B     1.389     0    0.046   0.438     2.614   81.548   76.111
LGA    V    31_B      V    31_B     0.638     0    0.102   0.121     1.655   90.476   87.959
LGA    R    32_B      R    32_B     1.094     0    0.049   1.197     6.083   81.429   58.961
LGA    Y    33_B      Y    33_B     0.769     0    0.088   1.406     8.360   90.476   57.937
LGA    Y    34_B      Y    34_B     0.937     0    0.097   0.132     1.330   88.214   88.968
LGA    R    35_B      R    35_B     0.700     0    0.025   1.567     6.640   90.476   65.758
LGA    I    36_B      I    36_B     0.815     0    0.024   0.325     1.159   90.476   88.214
LGA    T    37_B      T    37_B     0.444     0    0.028   0.141     1.090   95.238   91.905
LGA    Y    38_B      Y    38_B     0.172     0    0.028   0.157     0.952  100.000   96.032
LGA    G    39_B      G    39_B     0.452     0    0.035   0.035     0.452  100.000  100.000
LGA    E    40_B      E    40_B     0.499     0    0.037   0.717     2.193   92.857   82.963
LGA    T    41_B      T    41_B     0.873     0    0.044   0.115     1.370   90.476   89.184
LGA    G    42_B      G    42_B     1.445     0    0.231   0.231     2.351   75.119   75.119
LGA    G    43_B      G    43_B     1.500     0    0.090   0.090     1.650   77.143   77.143
LGA    N    44_B      N    44_B     2.764     3    0.239   0.236     3.839   64.881   37.857
LGA    S    45_B      S    45_B     1.852     0    0.133   0.728     2.846   72.976   68.968
LGA    P    46_B      P    46_B     1.842     0    0.041   0.111     1.912   75.000   74.082
LGA    V    47_B      V    47_B     1.126     0    0.074   0.111     1.421   83.690   82.721
LGA    Q    48_B      Q    48_B     0.388     0    0.041   1.050     2.491   97.619   90.053
LGA    E    49_B      E    49_B     0.297     0    0.029   0.194     1.530  100.000   91.746
LGA    F    50_B      F    50_B     0.222     0    0.050   0.191     1.248  100.000   94.892
LGA    T    51_B      T    51_B     0.487     0    0.013   0.133     0.763   95.238   95.918
LGA    V    52_B      V    52_B     0.773     0    0.050   1.333     3.578   90.476   80.068
LGA    P    53_B      P    53_B     0.710     0    0.064   0.113     0.950   90.476   90.476
LGA    G    54_B      G    54_B     0.689     0    0.057   0.057     0.689   90.476   90.476
LGA    S    55_B      S    55_B     0.647     0    0.073   0.066     0.988   90.476   90.476
LGA    K    56_B      K    56_B     0.638     0    0.032   0.785     2.700   90.476   82.116
LGA    S    57_B      S    57_B     0.724     0    0.065   0.634     3.064   90.476   83.730
LGA    T    58_B      T    58_B     0.657     0    0.058   0.071     0.855   90.476   90.476
LGA    A    59_B      A    59_B     0.537     0    0.014   0.039     0.571   95.238   94.286
LGA    T    60_B      T    60_B     0.288     0    0.000   0.093     0.617  100.000   98.639
LGA    I    61_B      I    61_B     0.283     0    0.065   0.600     1.843   97.619   91.845
LGA    S    62_B      S    62_B     0.663     0    0.049   0.659     1.299   95.238   90.635
LGA    G    63_B      G    63_B     0.585     0    0.058   0.058     0.697   90.476   90.476
LGA    L    64_B      L    64_B     0.352     0    0.035   0.087     0.541  100.000   98.810
LGA    K    65_B      K    65_B     0.218     2    0.025   0.557     1.578  100.000   73.704
LGA    P    66_B      P    66_B     0.456     0    0.063   0.146     0.753  100.000   97.279
LGA    G    67_B      G    67_B     0.746     0    0.071   0.071     0.750   90.476   90.476
LGA    V    68_B      V    68_B     0.571     0    0.051   0.123     0.691   92.857   93.197
LGA    D    69_B      D    69_B     0.447     0    0.025   0.846     3.536   97.619   81.964
LGA    Y    70_B      Y    70_B     0.461     0    0.061   0.067     0.625  100.000   93.651
LGA    T    71_B      T    71_B     0.370     0    0.032   0.104     0.454  100.000  100.000
LGA    I    72_B      I    72_B     0.444     0    0.010   0.353     1.757  100.000   93.036
LGA    T    73_B      T    73_B     0.302     0    0.036   1.000     2.280  100.000   91.088
LGA    V    74_B      V    74_B     0.468     0    0.039   0.097     0.669  100.000   95.918
LGA    Y    75_B      Y    75_B     0.481     0    0.027   1.259     4.678   95.238   76.984
LGA    A    76_B      A    76_B     0.721     0    0.024   0.046     0.896   90.476   90.476
LGA    E    77_B      E    77_B     1.088     0    0.089   0.844     5.403   88.214   69.841
LGA    H    78_B      H    78_B     0.661     0    0.167   1.323     5.568   85.952   65.048
LGA    P    79_B      P    79_B     2.295     0    0.030   0.267     3.131   68.810   63.878
LGA    Y    80_B      Y    80_B     2.692     0    0.091   1.508     8.975   57.262   34.762
LGA    Y    81_B      Y    81_B     5.024     0    0.510   0.796     7.616   21.905   16.429
LGA    D    82_B      D    82_B     7.813     0    0.652   1.297    11.797    5.952    3.869
LGA    P    83_B      P    83_B    13.503     0    0.031   0.068    16.195    0.000    0.000
LGA    S    84_B      S    84_B    12.996     0    0.617   0.890    15.855    0.000    0.000
LGA    S    85_B      S    85_B     8.122     0    0.219   0.536     9.745    4.881    5.238
LGA    S    86_B      S    86_B     7.552     0    0.253   0.244     8.468    7.143    6.746
LGA    Y    87_B      Y    87_B     8.524     0    0.589   1.322    10.042    3.810    3.175
LGA    Y    88_B      Y    88_B     5.609     0    0.549   1.238    14.554   26.548   11.310
LGA    F    89_B      F    89_B     1.784     0    0.289   1.077     3.889   77.381   67.576
LGA    S    90_B      S    90_B     1.190     0    0.093   0.150     1.867   81.429   80.000
LGA    S    91_B      S    91_B     0.715     0    0.065   0.076     0.809   90.476   90.476
LGA    K    92_B      K    92_B     0.501     0    0.009   1.154     3.176   95.238   77.831
LGA    P    93_B      P    93_B     0.179     0    0.054   0.420     1.746  100.000   94.762
LGA    I    94_B      I    94_B     0.310     0    0.026   0.509     2.086  100.000   94.405
LGA    S    95_B      S    95_B     0.346     0    0.048   0.579     2.074  100.000   94.127
LGA    I    96_B      I    96_B     0.355     0    0.046   0.092     0.679  100.000   95.238
LGA    N    97_B      N    97_B     0.413     0    0.030   0.407     1.220   97.619   95.298
LGA    Y    98_B      Y    98_B     0.519     0    0.020   0.155     1.694   92.857   85.278
LGA    R    99_B      R    99_B     0.446     3    0.133   0.660     3.884  100.000   61.169
LGA    T   100_B      T   100_B     0.688     0    0.356   1.212     2.920   88.214   79.660
LGA    P   101_B      P   101_B     2.350     0    0.666   0.558     4.001   59.881   54.762
LGA    H   102_B      H   102_B     3.008     0    0.274   1.220     8.268   46.071   32.667
LGA    H   103_B      H   103_B     5.997     0    0.213   1.018     7.177   24.286   20.000
LGA    H   104_B      H   104_B     6.768     5    0.047   0.085     7.132   15.238    7.095
LGA    H   105_B      H   105_B     6.348     0    0.622   1.580     8.830   10.833   10.429
LGA    H   106_B      H   106_B     8.713     0    0.057   1.083    11.993    3.214    9.143
LGA    H   107_B      H   107_B    15.901     0    0.374   1.144    21.645    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     3.162          3.155                  3.780           79.306   73.312

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     93    1.23    83.962    79.824     6.971

LGA_LOCAL      RMSD:   1.234  Number of atoms:   93  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.444  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.162  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.830360 * X  +   0.463440 * Y  +   0.309395 * Z  + -82.540215
  Y_new =   0.233568 * X  +   0.793584 * Y  +  -0.561846 * Z  +  28.748167
  Z_new =  -0.505913 * X  +  -0.394270 * Y  +  -0.767205 * Z  + 246.878128 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.867393  0.530440 -2.666883   [DEG:  164.2895   30.3920 -152.8012 ]
ZXZ:  0.503362  2.445268 -2.232802   [DEG:   28.8405  140.1035 -127.9301 ]
 
# END of job
