
#######################################################
#                                                     #
#                        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  108 (  865),  selected  108 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  108 , 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:   108      23_B - 130_B       2.31     2.31
  LCS_AVERAGE:     91.53

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      26_B - 129_B       2.00     2.36
  LONGEST_CONTINUOUS_SEGMENT:   104      27_B - 130_B       1.93     2.37
  LCS_AVERAGE:     85.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98      32_B - 129_B       1.00     2.58
  LCS_AVERAGE:     75.75

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     S    23_B     S    23_B      4    6  108      3    4    5   18   28   43   60   81   95  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    24_B     M    24_B      4    6  108      3    4    9   20   37   55   82  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    25_B     Y    25_B      4    6  108      3    4    4    6    6   18   49   69   87  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    26_B     A    26_B      4  104  108      3    4    7   18   27   45   60  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    27_B     K    27_B      5  104  108      3    4    5   12   28   43   68   84  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    28_B     H    28_B      5  104  108      3    4    5    8   17   27   34   66   92  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    29_B     S    29_B      5  104  108      3    4    5   24   31   40   71   85   98  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    30_B     A    30_B      5  104  108      3    4    5   16   31   36   52   66   97  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Q    31_B     Q    31_B      5  104  108      3   20   43   57   81   94  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_B     N    32_B     98  104  108      3   65   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    33_B     Y    33_B     98  104  108      3   54   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Q    34_B     Q    34_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    35_B     P    35_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    36_B     L    36_B     98  104  108     33   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    37_B     L    37_B     98  104  108     26   68   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    38_B     P    38_B     98  104  108     29   71   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G    39_B     G    39_B     98  104  108     33   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    40_B     I    40_B     98  104  108     28   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    41_B     K    41_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    42_B     I    42_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    43_B     K    43_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    44_B     T    44_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    45_B     L    45_B     98  104  108      6   71   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    46_B     V    46_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    47_B     Y    47_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G    48_B     G    48_B     98  104  108      6   61   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_B     E    49_B     98  104  108      3   22   43   81   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    50_B     L    50_B     98  104  108     33   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    51_B     T    51_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    52_B     L    52_B     98  104  108     20   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    53_B     M    53_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    54_B     T    54_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_B     E    55_B     98  104  108     30   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    56_B     F    56_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    57_B     V    57_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    58_B     M    58_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    59_B     D    59_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    60_B     K    60_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G    61_B     G    61_B     98  104  108     17   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    62_B     S    62_B     98  104  108     23   71   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    63_B     S    63_B     98  104  108     30   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    64_B     L    64_B     98  104  108      8   68   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    65_B     P    65_B     98  104  108     13   48   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    66_B     D    66_B     98  104  108      8   50   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    67_B     H    67_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    68_B     T    68_B     98  104  108     15   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    69_B     H    69_B     98  104  108     13   54   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    70_B     P    70_B     98  104  108      4   31   81   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    71_B     Y    71_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_B     E    72_B     98  104  108     30   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Q    73_B     Q    73_B     98  104  108     30   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    74_B     T    74_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G    75_B     G    75_B     98  104  108     26   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    76_B     Y    76_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    77_B     L    77_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    78_B     V    78_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    79_B     S    79_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G    80_B     G    80_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    81_B     K    81_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    82_B     I    82_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    83_B     I    83_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    84_B     L    84_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    85_B     Y    85_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    86_B     I    86_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_B     E    87_B     98  104  108     24   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    88_B     D    88_B     98  104  108      3    6   88   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    89_B     K    89_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    90_B     K    90_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Q    91_B     Q    91_B     98  104  108      4   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Q    92_B     Q    92_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    93_B     I    93_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    94_B     M    94_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    95_B     A    95_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G    96_B     G    96_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    97_B     D    97_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    98_B     S    98_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    99_B     W    99_B     98  104  108     22   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     C   100_B     C   100_B     98  104  108      7   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   101_B     I   101_B     98  104  108     30   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P   102_B     P   102_B     98  104  108     13   54   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   103_B     K   103_B     98  104  108     10   31   79   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N   104_B     N   104_B     98  104  108     16   59   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   105_B     V   105_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H   106_B     H   106_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H   107_B     H   107_B     98  104  108     31   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H   108_B     H   108_B     98  104  108     29   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A   109_B     A   109_B     98  104  108     13   71   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   110_B     E   110_B     98  104  108     13   67   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   111_B     I   111_B     98  104  108      6   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L   112_B     L   112_B     98  104  108      6   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   113_B     E   113_B     98  104  108     20   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N   114_B     N   114_B     98  104  108     33   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S   115_B     S   115_B     98  104  108     14   50   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   116_B     V   116_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A   117_B     A   117_B     98  104  108     22   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   118_B     V   118_B     98  104  108     22   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   119_B     E   119_B     98  104  108     26   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   120_B     V   120_B     98  104  108     22   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F   121_B     F   121_B     98  104  108     30   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A   122_B     A   122_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P   123_B     P   123_B     98  104  108     34   72   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T   124_B     T   124_B     98  104  108      6   32   85   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   125_B     R   125_B     98  104  108     17   66   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   126_B     E   126_B     98  104  108     24   71   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   127_B     E   127_B     98  104  108     22   69   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y   128_B     Y   128_B     98  104  108      5   65   89   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   129_B     I   129_B     98  104  108      4   27   85   96   98   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   130_B     K   130_B      9  104  108      3    3    3   75   95   99  100  102  103  104  108  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  84.37  (  75.75   85.83   91.53 )

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     34     72     89     96     98     99    100    102    103    104    108    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  28.81  61.02  75.42  81.36  83.05  83.90  84.75  86.44  87.29  88.14  91.53  91.53  91.53  91.53  91.53  91.53  91.53  91.53  91.53  91.53
GDT RMS_LOCAL    0.33   0.62   0.81   0.92   1.00   1.08   1.17   1.52   1.69   1.82   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31
GDT RMS_ALL_AT   2.78   2.70   2.63   2.61   2.58   2.55   2.53   2.42   2.38   2.36   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31

# Checking swapping
#   possible swapping detected:  Y    25_B      Y    25_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    47_B      Y    47_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  D    59_B      D    59_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  E    87_B      E    87_B
#   possible swapping detected:  D    88_B      D    88_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    23_B      S    23_B     8.654     0    0.109   0.598    12.117    6.071    4.048
LGA    M    24_B      M    24_B     6.761     0    0.196   1.003     8.891    8.333   17.321
LGA    Y    25_B      Y    25_B     8.019     0    0.046   1.155    16.445   14.524    4.960
LGA    A    26_B      A    26_B     6.782     0    0.065   0.076     7.268   12.500   12.000
LGA    K    27_B      K    27_B     7.681     0    0.594   1.356     8.495   11.071   11.534
LGA    H    28_B      H    28_B     8.672     0    0.177   0.236    12.523    3.333    1.333
LGA    S    29_B      S    29_B     7.529     0    0.192   0.737     8.120    9.405    8.730
LGA    A    30_B      A    30_B     8.212     0    0.710   0.661     9.619    6.071    4.952
LGA    Q    31_B      Q    31_B     4.502     0    0.280   1.057     8.417   44.286   26.508
LGA    N    32_B      N    32_B     1.833     0    0.619   0.751     2.984   66.905   76.429
LGA    Y    33_B      Y    33_B     1.392     0    0.154   0.318     4.390   77.262   61.786
LGA    Q    34_B      Q    34_B     1.121     0    0.036   1.329     5.668   81.429   67.619
LGA    P    35_B      P    35_B     1.166     0    0.134   0.140     1.626   79.286   77.755
LGA    L    36_B      L    36_B     1.092     0    0.030   0.229     1.361   81.429   87.143
LGA    L    37_B      L    37_B     1.413     0    0.068   0.789     2.825   81.429   77.321
LGA    P    38_B      P    38_B     1.123     0    0.054   0.075     1.594   85.952   81.565
LGA    G    39_B      G    39_B     0.757     0    0.069   0.069     0.901   90.476   90.476
LGA    I    40_B      I    40_B     1.059     0    0.075   0.581     2.098   79.286   77.321
LGA    K    41_B      K    41_B     1.104     0    0.062   1.250     4.539   88.214   77.090
LGA    I    42_B      I    42_B     1.016     0    0.025   0.121     1.204   85.952   83.690
LGA    K    43_B      K    43_B     0.995     0    0.097   0.954     6.183   88.214   65.132
LGA    T    44_B      T    44_B     0.731     0    0.071   1.151     3.462   90.476   81.020
LGA    L    45_B      L    45_B     0.504     0    0.374   0.393     2.152   86.429   88.452
LGA    V    46_B      V    46_B     0.662     0    0.124   1.272     2.642   88.214   80.748
LGA    Y    47_B      Y    47_B     0.704     0    0.044   0.258     1.466   90.476   85.198
LGA    G    48_B      G    48_B     1.244     0    0.157   0.157     2.095   77.381   77.381
LGA    E    49_B      E    49_B     2.778     0    0.087   0.666     7.684   60.952   39.206
LGA    L    50_B      L    50_B     0.875     0    0.156   0.817     4.423   85.952   70.119
LGA    T    51_B      T    51_B     0.869     0    0.037   0.077     1.322   85.952   87.891
LGA    L    52_B      L    52_B     1.101     0    0.059   1.266     4.078   81.429   71.964
LGA    M    53_B      M    53_B     1.048     0    0.039   0.657     3.551   85.952   78.929
LGA    T    54_B      T    54_B     0.702     0    0.100   1.042     2.869   88.214   81.905
LGA    E    55_B      E    55_B     0.743     0    0.071   0.607     2.402   92.857   82.804
LGA    F    56_B      F    56_B     0.636     0    0.036   0.922     4.863   95.238   68.312
LGA    V    57_B      V    57_B     0.654     0    0.106   0.876     3.135   90.476   82.109
LGA    M    58_B      M    58_B     0.611     0    0.047   0.569     1.684   90.476   86.012
LGA    D    59_B      D    59_B     0.497     0    0.074   0.654     1.651   97.619   89.643
LGA    K    60_B      K    60_B     0.649     0    0.028   1.226     4.115   90.476   78.042
LGA    G    61_B      G    61_B     1.142     0    0.053   0.053     1.491   83.690   83.690
LGA    S    62_B      S    62_B     1.112     0    0.108   0.606     1.553   83.690   81.508
LGA    S    63_B      S    63_B     0.804     0    0.048   0.167     1.719   90.476   86.032
LGA    L    64_B      L    64_B     1.282     0    0.054   1.032     3.413   79.405   75.417
LGA    P    65_B      P    65_B     1.934     0    0.068   0.406     3.466   72.857   67.279
LGA    D    66_B      D    66_B     1.595     0    0.076   0.994     3.131   72.857   70.000
LGA    H    67_B      H    67_B     1.273     0    0.030   1.049     3.974   81.429   72.095
LGA    T    68_B      T    68_B     1.023     0    0.031   1.112     3.249   79.286   74.626
LGA    H    69_B      H    69_B     1.547     0    0.049   0.186     1.620   77.143   80.667
LGA    P    70_B      P    70_B     2.024     0    0.330   0.581     3.340   63.095   62.721
LGA    Y    71_B      Y    71_B     1.029     0    0.052   0.265     2.147   83.690   79.405
LGA    E    72_B      E    72_B     0.907     0    0.062   0.763     3.962   90.476   76.720
LGA    Q    73_B      Q    73_B     0.798     0    0.118   0.135     0.928   90.476   90.476
LGA    T    74_B      T    74_B     0.645     0    0.060   1.065     3.605   90.476   82.449
LGA    G    75_B      G    75_B     0.913     0    0.071   0.071     1.045   88.214   88.214
LGA    Y    76_B      Y    76_B     0.589     0    0.054   0.213     1.652   90.476   85.992
LGA    L    77_B      L    77_B     0.719     0    0.024   0.242     1.068   90.476   89.345
LGA    V    78_B      V    78_B     0.826     0    0.048   0.071     1.223   90.476   86.599
LGA    S    79_B      S    79_B     0.993     0    0.066   0.115     1.193   90.476   88.968
LGA    G    80_B      G    80_B     0.793     0    0.121   0.121     0.911   90.476   90.476
LGA    K    81_B      K    81_B     0.670     0    0.069   0.467     3.320   90.476   78.307
LGA    I    82_B      I    82_B     0.472     0    0.044   0.105     0.849   92.857   94.048
LGA    I    83_B      I    83_B     0.502     0    0.030   1.172     3.463   97.619   80.714
LGA    L    84_B      L    84_B     0.476     0    0.132   0.889     2.963   95.238   86.429
LGA    Y    85_B      Y    85_B     0.640     0    0.072   1.320     9.008   90.476   54.087
LGA    I    86_B      I    86_B     0.465     0    0.017   1.031     2.412   95.238   84.405
LGA    E    87_B      E    87_B     1.017     0    0.615   1.227     3.799   77.619   73.704
LGA    D    88_B      D    88_B     1.945     0    0.032   0.866     6.861   77.143   55.536
LGA    K    89_B      K    89_B     0.899     0    0.074   0.617     2.879   88.214   79.947
LGA    K    90_B      K    90_B     0.844     0    0.034   0.728     5.040   88.214   67.354
LGA    Q    91_B      Q    91_B     1.041     0    0.081   0.636     3.861   88.214   69.577
LGA    Q    92_B      Q    92_B     0.809     0    0.093   1.105     2.732   88.214   78.095
LGA    I    93_B      I    93_B     0.750     0    0.097   0.972     2.154   90.476   81.845
LGA    M    94_B      M    94_B     0.673     0    0.037   0.840     4.406   90.476   72.857
LGA    A    95_B      A    95_B     0.648     0    0.076   0.086     0.912   90.476   90.476
LGA    G    96_B      G    96_B     0.642     0    0.052   0.052     0.642   90.476   90.476
LGA    D    97_B      D    97_B     0.455     0    0.053   0.144     1.264  100.000   91.845
LGA    S    98_B      S    98_B     0.408     0    0.046   0.590     2.495  100.000   94.127
LGA    W    99_B      W    99_B     0.857     0    0.024   1.225     9.024   90.476   46.224
LGA    C   100_B      C   100_B     0.970     0    0.104   0.669     4.064   88.214   78.571
LGA    I   101_B      I   101_B     0.481     0    0.032   1.456     4.589   90.595   76.964
LGA    P   102_B      P   102_B     1.459     0    0.083   0.098     1.705   77.143   76.531
LGA    K   103_B      K   103_B     2.053     0    0.325   1.195     3.854   70.952   58.677
LGA    N   104_B      N   104_B     1.564     0    0.310   0.802     2.304   72.976   75.298
LGA    V   105_B      V   105_B     0.523     0    0.108   0.105     0.825   90.476   93.197
LGA    H   106_B      H   106_B     0.696     0    0.046   0.925     2.164   95.238   83.762
LGA    H   107_B      H   107_B     0.786     0    0.045   0.147     1.106   90.476   88.667
LGA    H   108_B      H   108_B     0.805     0    0.047   1.140     5.269   90.476   66.810
LGA    A   109_B      A   109_B     1.023     0    0.068   0.069     1.108   81.429   83.238
LGA    E   110_B      E   110_B     1.172     0    0.067   0.844     3.195   85.952   78.042
LGA    I   111_B      I   111_B     0.697     0    0.089   1.464     4.574   90.476   75.595
LGA    L   112_B      L   112_B     0.902     0    0.056   0.164     1.619   90.476   86.012
LGA    E   113_B      E   113_B     0.967     0    0.127   1.000     4.006   85.952   75.132
LGA    N   114_B      N   114_B     1.063     0    0.150   1.166     3.061   85.952   75.536
LGA    S   115_B      S   115_B     1.427     0    0.133   0.362     4.261   88.214   74.524
LGA    V   116_B      V   116_B     0.479     0    0.054   1.099     2.662   92.857   85.918
LGA    A   117_B      A   117_B     0.931     0    0.033   0.041     1.016   90.476   88.667
LGA    V   118_B      V   118_B     0.988     0    0.030   0.084     1.143   90.476   86.599
LGA    E   119_B      E   119_B     0.894     0    0.062   1.016     4.214   88.214   77.725
LGA    V   120_B      V   120_B     0.880     0    0.064   0.116     1.631   90.476   85.374
LGA    F   121_B      F   121_B     0.784     0    0.022   0.055     0.936   90.476   91.342
LGA    A   122_B      A   122_B     0.924     0    0.034   0.054     1.089   88.214   88.667
LGA    P   123_B      P   123_B     1.012     0    0.050   0.370     1.853   83.690   81.497
LGA    T   124_B      T   124_B     1.714     0    0.185   1.092     4.674   75.000   68.231
LGA    R   125_B      R   125_B     1.096     0    0.077   0.675     1.582   85.952   83.939
LGA    E   126_B      E   126_B     0.734     0    0.044   1.102     5.068   90.476   71.481
LGA    E   127_B      E   127_B     0.804     0    0.078   0.625     2.505   90.476   79.101
LGA    Y   128_B      Y   128_B     1.057     0    0.222   0.693     2.814   75.476   75.992
LGA    I   129_B      I   129_B     1.837     0    0.587   1.574     4.768   60.714   66.964
LGA    K   130_B      K   130_B     3.768     0    0.686   0.933     6.128   36.667   45.661

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     865    865  100.00               118
SUMMARY(RMSD_GDC):     2.310          2.286                  3.071           72.764   66.533

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  108  118    4.0    102    1.52    80.085    83.745     6.280

LGA_LOCAL      RMSD:   1.524  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.424  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   2.310  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.078282 * X  +  -0.676076 * Y  +   0.732662 * Z  + -83.777916
  Y_new =  -0.647079 * X  +  -0.593529 * Y  +  -0.478552 * Z  +  77.918488
  Z_new =   0.758394 * X  +  -0.436628 * Y  +  -0.483937 * Z  +  33.892708 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.450404 -0.860845 -2.407541   [DEG:  -83.1020  -49.3228 -137.9419 ]
ZXZ:  0.992197  2.075945  2.093177   [DEG:   56.8487  118.9429  119.9302 ]
 
# END of job
