
#######################################################
#                                                     #
#                        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       3.09     3.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       2_B - 81_B        1.65     3.29
  LONGEST_CONTINUOUS_SEGMENT:    80       3_B - 82_B        2.00     3.19
  LCS_AVERAGE:     61.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       2_B - 78_B        0.99     3.44
  LONGEST_CONTINUOUS_SEGMENT:    77       3_B - 79_B        0.95     3.36
  LCS_AVERAGE:     57.13

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     77   80  106      3   13   48   74   88   95   96   97   97   98   99   99  100  100  101  102  103  104  105  105 
LCS_GDT     V     3_B     V     3_B     77   80  106      5   34   60   83   92   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S     4_B     S     4_B     77   80  106      3    4   32   83   92   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     D     5_B     D     5_B     77   80  106      7   57   83   89   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V     6_B     V     6_B     77   80  106     40   77   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P     7_B     P     7_B     77   80  106     53   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     R     8_B     R     8_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     D     9_B     D     9_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     L    10_B     L    10_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     E    11_B     E    11_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V    12_B     V    12_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V    13_B     V    13_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     A    14_B     A    14_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     A    15_B     A    15_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    16_B     T    16_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    17_B     P    17_B     77   80  106     54   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    18_B     T    18_B     77   80  106     54   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    19_B     S    19_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     L    20_B     L    20_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     L    21_B     L    21_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     I    22_B     I    22_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    23_B     S    23_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     W    24_B     W    24_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     D    25_B     D    25_B     77   80  106     53   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     A    26_B     A    26_B     77   80  106     32   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    27_B     P    27_B     77   80  106      6   61   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    28_B     P    28_B     77   80  106      3   20   59   87   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    29_B     Y    29_B     77   80  106     23   62   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    30_B     Y    30_B     77   80  106     23   76   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V    31_B     V    31_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     R    32_B     R    32_B     77   80  106     42   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    33_B     Y    33_B     77   80  106     47   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    34_B     Y    34_B     77   80  106     42   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     R    35_B     R    35_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     I    36_B     I    36_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    37_B     T    37_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    38_B     Y    38_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     G    39_B     G    39_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     E    40_B     E    40_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    41_B     T    41_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     G    42_B     G    42_B     77   80  106     41   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     G    43_B     G    43_B     77   80  106     22   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     N    44_B     N    44_B     77   80  106     27   79   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    45_B     S    45_B     77   80  106     23   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    46_B     P    46_B     77   80  106     27   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V    47_B     V    47_B     77   80  106     41   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Q    48_B     Q    48_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     E    49_B     E    49_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     F    50_B     F    50_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    51_B     T    51_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V    52_B     V    52_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    53_B     P    53_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     G    54_B     G    54_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    55_B     S    55_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     K    56_B     K    56_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    57_B     S    57_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    58_B     T    58_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     A    59_B     A    59_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    60_B     T    60_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     I    61_B     I    61_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    62_B     S    62_B     77   80  106     45   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     G    63_B     G    63_B     77   80  106     47   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     L    64_B     L    64_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     K    65_B     K    65_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    66_B     P    66_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     G    67_B     G    67_B     77   80  106     53   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V    68_B     V    68_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     D    69_B     D    69_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    70_B     Y    70_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    71_B     T    71_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     I    72_B     I    72_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T    73_B     T    73_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     V    74_B     V    74_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    75_B     Y    75_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     A    76_B     A    76_B     77   80  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     E    77_B     E    77_B     77   80  106     39   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     H    78_B     H    78_B     77   80  106     53   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    79_B     P    79_B     77   80  106      4   39   82   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    80_B     Y    80_B     76   80  106      3    3    5   11   48   60   76   94   96   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    81_B     Y    81_B      3   80  106      3    3    5    7    9   10   12   25   29   33   57   99   99  101  102  102  103  104  105  105 
LCS_GDT     D    82_B     D    82_B      4   80  106      0    4    5    6   10   12   16   22   41   61   93   99   99  101  102  102  103  104  105  105 
LCS_GDT     P    83_B     P    83_B      4    7  106      3    4    5    5    7   12   13   15   27   35   39   44   47   67   78  101  103  104  105  105 
LCS_GDT     S    84_B     S    84_B      4    7  106      3    4    5   11   11   12   18   25   31   51   77   86   99  101  101  102  103  104  105  105 
LCS_GDT     S    85_B     S    85_B      4   10  106      3    4    5   12   18   30   63   87   94   96   97   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    86_B     S    86_B      3   21  106      3    3    5    9   19   46   88   92   96   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    87_B     Y    87_B     17   21  106     17   71   84   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    88_B     Y    88_B     17   21  106     53   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     F    89_B     F    89_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    90_B     S    90_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    91_B     S    91_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     K    92_B     K    92_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P    93_B     P    93_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     I    94_B     I    94_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     S    95_B     S    95_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     I    96_B     I    96_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     N    97_B     N    97_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     Y    98_B     Y    98_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     R    99_B     R    99_B     17   21  106     59   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     T   100_B     T   100_B     17   21  106     52   80   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     P   101_B     P   101_B     17   21  106     23   52   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     H   102_B     H   102_B     17   21  106      8   61   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     H   103_B     H   103_B     17   21  106     10   77   85   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     H   104_B     H   104_B     17   21  106      3    3    9   62   87   92   94   97   97   98   99   99  100  100  102  102  103  104  105  105 
LCS_GDT     H   105_B     H   105_B      3   21  106      3   16   84   90   93   95   96   97   97   98   99   99  100  101  102  102  103  104  105  105 
LCS_GDT     H   106_B     H   106_B      3   21  106      3    5    7   16   32   46   77   85   91   96   97   99  100  100  102  102  103  104  105  105 
LCS_GDT     H   107_B     H   107_B      3    3  106      3    3    3    3    8    8    9   34   40   52   63   82   92   96  100  101  102  104  105  105 
LCS_AVERAGE  LCS_A:  72.99  (  57.13   61.84  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     59     80     85     90     93     95     96     97     97     98     99     99    100    101    102    102    103    104    105    105 
GDT PERCENT_AT  55.66  75.47  80.19  84.91  87.74  89.62  90.57  91.51  91.51  92.45  93.40  93.40  94.34  95.28  96.23  96.23  97.17  98.11  99.06  99.06
GDT RMS_LOCAL    0.29   0.46   0.58   0.75   0.86   0.99   1.07   1.15   1.15   1.28   1.42   1.42   1.61   2.41   2.27   2.05   2.32   2.61   2.88   2.88
GDT RMS_ALL_AT   3.28   3.28   3.31   3.26   3.27   3.30   3.33   3.34   3.34   3.32   3.29   3.29   3.28   3.13   3.13   3.19   3.15   3.11   3.10   3.10

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  Y    75_B      Y    75_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     4.017     0    0.553   0.553     4.017   50.476   50.476
LGA    V     3_B      V     3_B     3.119     0    0.202   0.814     3.828   53.810   51.224
LGA    S     4_B      S     4_B     3.167     0    0.054   0.671     4.762   53.571   48.175
LGA    D     5_B      D     5_B     1.924     0    0.528   1.216     3.708   61.429   61.548
LGA    V     6_B      V     6_B     0.821     0    0.059   1.079     3.316   95.238   81.361
LGA    P     7_B      P     7_B     0.288     0    0.047   0.239     1.043  100.000   97.347
LGA    R     8_B      R     8_B     0.558     0    0.037   1.251     6.954   95.238   64.719
LGA    D     9_B      D     9_B     0.474     0    0.046   0.850     3.080   97.619   83.810
LGA    L    10_B      L    10_B     0.409     0    0.010   0.094     0.536  100.000   98.810
LGA    E    11_B      E    11_B     0.319     0    0.043   0.724     2.204  100.000   87.090
LGA    V    12_B      V    12_B     0.272     0    0.030   0.849     2.074  100.000   89.728
LGA    V    13_B      V    13_B     0.270     0    0.006   1.121     2.432  100.000   89.932
LGA    A    14_B      A    14_B     0.183     0    0.048   0.057     0.206  100.000  100.000
LGA    A    15_B      A    15_B     0.366     0    0.025   0.038     0.366  100.000  100.000
LGA    T    16_B      T    16_B     0.368     0    0.085   1.116     2.567   97.619   87.483
LGA    P    17_B      P    17_B     0.631     0    0.055   0.225     0.966   92.857   93.197
LGA    T    18_B      T    18_B     0.573     0    0.194   0.209     0.922   92.857   91.837
LGA    S    19_B      S    19_B     0.225     0    0.038   0.655     1.879   97.619   93.889
LGA    L    20_B      L    20_B     0.253     0    0.075   0.938     2.946   97.619   90.060
LGA    L    21_B      L    21_B     0.242     0    0.015   0.070     0.744  100.000   96.429
LGA    I    22_B      I    22_B     0.424     0    0.051   0.130     0.529   97.619   97.619
LGA    S    23_B      S    23_B     0.373     0    0.038   0.071     0.433  100.000  100.000
LGA    W    24_B      W    24_B     0.381     0    0.036   0.096     1.228  100.000   92.619
LGA    D    25_B      D    25_B     0.639     0    0.049   0.214     1.045   90.476   90.536
LGA    A    26_B      A    26_B     0.780     0    0.088   0.114     1.215   88.214   86.857
LGA    P    27_B      P    27_B     1.358     0    0.025   0.190     1.802   77.143   81.565
LGA    P    28_B      P    28_B     2.647     0    0.695   0.794     4.940   52.619   50.680
LGA    Y    29_B      Y    29_B     1.699     0    0.104   1.387     8.691   72.857   46.746
LGA    Y    30_B      Y    30_B     1.271     0    0.061   1.232     9.176   85.952   49.643
LGA    V    31_B      V    31_B     0.475     0    0.022   0.126     0.705   95.238   94.558
LGA    R    32_B      R    32_B     1.110     0    0.074   0.935     4.088   83.690   61.558
LGA    Y    33_B      Y    33_B     0.813     0    0.082   1.474     8.664   90.476   56.667
LGA    Y    34_B      Y    34_B     0.913     0    0.069   0.092     1.292   88.214   89.722
LGA    R    35_B      R    35_B     0.632     0    0.030   1.081     4.525   90.476   73.506
LGA    I    36_B      I    36_B     0.589     0    0.049   0.244     1.366   92.857   90.536
LGA    T    37_B      T    37_B     0.424     0    0.000   0.129     1.043  100.000   94.626
LGA    Y    38_B      Y    38_B     0.266     0    0.022   0.161     0.464  100.000  100.000
LGA    G    39_B      G    39_B     0.327     0    0.028   0.028     0.352  100.000  100.000
LGA    E    40_B      E    40_B     0.416     0    0.038   0.506     2.080   95.238   85.873
LGA    T    41_B      T    41_B     0.680     0    0.039   0.116     1.104   90.476   89.184
LGA    G    42_B      G    42_B     1.096     0    0.231   0.231     1.931   79.286   79.286
LGA    G    43_B      G    43_B     1.136     0    0.082   0.082     1.136   83.690   83.690
LGA    N    44_B      N    44_B     1.669     3    0.217   0.212     2.394   81.548   48.869
LGA    S    45_B      S    45_B     1.206     0    0.099   0.162     1.503   81.429   80.000
LGA    P    46_B      P    46_B     1.293     0    0.041   0.106     1.293   81.429   81.429
LGA    V    47_B      V    47_B     1.027     0    0.066   0.106     1.314   85.952   84.014
LGA    Q    48_B      Q    48_B     0.461     0    0.042   1.302     3.962   97.619   84.656
LGA    E    49_B      E    49_B     0.447     0    0.046   0.339     2.338  100.000   87.884
LGA    F    50_B      F    50_B     0.287     0    0.056   0.104     0.809   97.619   96.537
LGA    T    51_B      T    51_B     0.461     0    0.041   0.158     1.056  100.000   95.986
LGA    V    52_B      V    52_B     0.738     0    0.074   1.329     3.591   90.476   78.980
LGA    P    53_B      P    53_B     0.422     0    0.727   0.702     3.014   82.738   84.762
LGA    G    54_B      G    54_B     0.678     0    0.152   0.152     1.239   88.214   88.214
LGA    S    55_B      S    55_B     0.725     0    0.078   0.097     0.920   90.476   90.476
LGA    K    56_B      K    56_B     0.529     0    0.050   0.915     3.380   90.476   81.640
LGA    S    57_B      S    57_B     0.721     0    0.089   0.618     2.924   92.857   86.508
LGA    T    58_B      T    58_B     0.594     0    0.044   0.064     0.866   90.476   90.476
LGA    A    59_B      A    59_B     0.388     0    0.050   0.054     0.452  100.000  100.000
LGA    T    60_B      T    60_B     0.220     0    0.031   0.076     0.418  100.000  100.000
LGA    I    61_B      I    61_B     0.423     0    0.075   0.611     2.266   97.619   90.833
LGA    S    62_B      S    62_B     0.615     0    0.052   0.060     1.282   95.238   90.635
LGA    G    63_B      G    63_B     0.549     0    0.071   0.071     0.743   90.476   90.476
LGA    L    64_B      L    64_B     0.298     0    0.042   0.086     0.489  100.000  100.000
LGA    K    65_B      K    65_B     0.233     2    0.041   0.564     1.747  100.000   74.762
LGA    P    66_B      P    66_B     0.334     0    0.088   0.146     0.687  100.000   97.279
LGA    G    67_B      G    67_B     0.716     0    0.038   0.038     0.894   90.476   90.476
LGA    V    68_B      V    68_B     0.500     0    0.023   0.108     0.598   92.857   94.558
LGA    D    69_B      D    69_B     0.498     0    0.063   0.150     0.754   97.619   95.238
LGA    Y    70_B      Y    70_B     0.318     0    0.045   0.061     0.444  100.000  100.000
LGA    T    71_B      T    71_B     0.402     0    0.000   0.104     0.630  100.000   98.639
LGA    I    72_B      I    72_B     0.488     0    0.000   0.331     1.562  100.000   93.036
LGA    T    73_B      T    73_B     0.251     0    0.047   0.975     2.238  100.000   91.088
LGA    V    74_B      V    74_B     0.476     0    0.047   0.092     0.678  100.000   97.279
LGA    Y    75_B      Y    75_B     0.389     0    0.044   1.261     4.563   95.238   76.349
LGA    A    76_B      A    76_B     0.617     0    0.037   0.042     0.871   90.476   92.381
LGA    E    77_B      E    77_B     1.140     0    0.062   0.941     3.877   88.214   70.635
LGA    H    78_B      H    78_B     0.600     0    0.190   0.790     2.708   83.810   77.524
LGA    P    79_B      P    79_B     2.864     0    0.655   0.652     3.248   57.500   59.796
LGA    Y    80_B      Y    80_B     5.923     0    0.051   1.518    12.989   19.048    6.825
LGA    Y    81_B      Y    81_B    10.320     0    0.504   1.358    19.936    1.190    0.397
LGA    D    82_B      D    82_B    12.414     0    0.176   0.971    16.643    0.000    0.000
LGA    P    83_B      P    83_B    14.740     0    0.695   0.620    18.400    0.000    0.000
LGA    S    84_B      S    84_B    13.951     0    0.229   0.634    16.711    0.000    0.000
LGA    S    85_B      S    85_B     9.380     0    0.549   0.810    10.520    6.429    5.159
LGA    S    86_B      S    86_B     6.530     0    0.182   0.165     7.627   25.238   19.683
LGA    Y    87_B      Y    87_B     2.474     0    0.156   0.396     4.433   49.048   56.230
LGA    Y    88_B      Y    88_B     0.768     0    0.062   0.203     2.522   92.976   83.373
LGA    F    89_B      F    89_B     0.420     0    0.060   1.297     8.078   92.857   55.498
LGA    S    90_B      S    90_B     0.937     0    0.049   0.111     1.558   90.476   86.032
LGA    S    91_B      S    91_B     0.582     0    0.061   0.546     2.168   95.238   89.365
LGA    K    92_B      K    92_B     0.341     0    0.031   0.929     2.173  100.000   89.947
LGA    P    93_B      P    93_B     0.046     0    0.033   0.201     0.881  100.000   97.279
LGA    I    94_B      I    94_B     0.433     0    0.025   0.139     0.835  100.000   97.619
LGA    S    95_B      S    95_B     0.457     0    0.051   0.588     2.096  100.000   92.540
LGA    I    96_B      I    96_B     0.344     0    0.028   0.092     0.637  100.000   97.619
LGA    N    97_B      N    97_B     0.347     0    0.030   0.315     1.050  100.000   95.298
LGA    Y    98_B      Y    98_B     0.473     0    0.042   0.209     2.494   97.619   81.944
LGA    R    99_B      R    99_B     0.397     3    0.049   0.609     3.879  100.000   61.169
LGA    T   100_B      T   100_B     0.544     0    0.106   0.100     0.841   95.238   93.197
LGA    P   101_B      P   101_B     1.623     0    0.637   0.578     4.119   66.310   72.857
LGA    H   102_B      H   102_B     1.896     0    0.597   1.222     4.286   61.905   65.381
LGA    H   103_B      H   103_B     1.542     0    0.322   1.414     9.094   72.976   43.095
LGA    H   104_B      H   104_B     3.993     5    0.070   0.107     6.817   45.119   19.381
LGA    H   105_B      H   105_B     2.173     0    0.600   0.703     7.192   48.214   42.714
LGA    H   106_B      H   106_B     7.669     0    0.280   1.125    10.065   10.238    4.619
LGA    H   107_B      H   107_B    12.706     0    0.604   1.116    18.487    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):     3.091          3.052                  3.904           82.466   75.955

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     97    1.15    87.028    81.820     7.786

LGA_LOCAL      RMSD:   1.146  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.345  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.091  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.873529 * X  +   0.330644 * Y  +   0.357242 * Z  + -76.471283
  Y_new =   0.117450 * X  +   0.855383 * Y  +  -0.504506 * Z  +  13.030711
  Z_new =  -0.472390 * X  +  -0.398742 * Y  +  -0.786036 * Z  + 249.999435 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.007940  0.492001 -2.672136   [DEG:  172.3422   28.1896 -153.1021 ]
ZXZ:  0.616143  2.475166 -2.271853   [DEG:   35.3024  141.8166 -130.1676 ]
 
# END of job
