
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       2.42     2.42
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      22_A - 96_A        1.99     2.55
  LCS_AVERAGE:     58.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      23_A - 74_A        0.98     2.72
  LCS_AVERAGE:     35.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A     51   75  105      3   10   27   61   87   90   94   95   99  102  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     52   75  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     52   75  105     30   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     52   75  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     52   75  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     52   75  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     52   75  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     52   75  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     52   75  105     31   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     52   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     52   75  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     52   75  105      3    6   15   66   80   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     52   75  105     21   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     52   75  105     30   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     52   75  105     30   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     52   75  105     25   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     52   75  105     25   54   69   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     52   75  105     25   54   69   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     52   75  105     21   32   55   77   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     52   75  105     25   32   68   78   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     52   75  105     25   39   68   78   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     52   75  105     25   39   65   77   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     52   75  105     25   54   69   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     52   75  105     25   54   69   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     52   75  105     25   59   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     52   75  105     25   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     52   75  105     25   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     52   75  105     25   57   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     37   75  105     25   35   65   74   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     37   75  105     25   47   68   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     37   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     37   75  105     25   53   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     37   75  105     25   54   67   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     37   75  105     32   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     37   75  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     37   75  105     31   57   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     37   75  105     25   56   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     37   75  105     25   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     37   75  105     25   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     37   75  105     25   54   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     37   75  105      7   30   55   78   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     37   75  105     25   32   63   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     36   75  105      3    7   32   55   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     32   75  105      3    4    9   23   34   43   63   87   98  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      5   75  105      3   39   68   77   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      5   75  105      3    5   34   68   85   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      5   75  105      3    8   15   37   70   87   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9   75  105      4   11   21   34   59   69   77   87   93  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9   75  105      4    6   19   36   59   76   82   95   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9   75  105      4    6   16   28   39   61   77   86   93  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9   30  105      4    8   18   29   39   60   77   85   91  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9   30  105      3    8   18   31   59   76   89   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9   30  105      3    8   25   59   76   87   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9   30  105      3    8   18   39   59   76   89   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9   30  105      3    8   17   31   59   71   85   93   98  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      9   30  105      4   11   27   55   69   76   89   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     21   30  105      4   13   45   65   75   86   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     21   30  105      4   13   50   62   78   88   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     21   30  105      4   55   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     21   30  105     23   58   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     21   30  105     20   58   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     21   30  105     20   58   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     21   30  105     28   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     21   30  105     26   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     21   30  105     26   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     21   30  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     21   30  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     21   30  105     34   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     21   30  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     21   30  105     28   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     21   30  105     19   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     21   30  105     27   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     21   30  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     21   30  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     21   30  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     21   30  105     35   60   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     21   30  105     21   58   70   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     21   29  105      3   39   69   79   87   90   94   96   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      3   29  105      3    3    4    9   51   71   83   91   99  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      3    4  105      3    3    4    4    8   40   46   59   72   89   94  100  103  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  64.78  (  35.42   58.93  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     35     60     70     79     87     90     94     96     99    103    104    104    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  33.33  57.14  66.67  75.24  82.86  85.71  89.52  91.43  94.29  98.10  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.58   0.74   0.98   1.23   1.32   1.51   1.74   1.89   2.24   2.26   2.26   2.26   2.42   2.42   2.42   2.42   2.42   2.42   2.42
GDT RMS_ALL_AT   2.48   2.50   2.47   2.51   2.59   2.60   2.55   2.48   2.46   2.42   2.42   2.42   2.42   2.42   2.42   2.42   2.42   2.42   2.42   2.42

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  E   114_A      E   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.413     0    0.324   1.044     5.852   55.714   45.238
LGA    K    23_A      K    23_A     1.085     0    0.140   0.775     4.253   81.548   70.159
LGA    V    24_A      V    24_A     0.360     0    0.019   0.031     0.740   92.857   95.918
LGA    H    25_A      H    25_A     0.628     0    0.052   0.092     1.196   92.857   88.714
LGA    I    26_A      I    26_A     0.533     0    0.006   1.479     3.704   90.476   77.202
LGA    I    27_A      I    27_A     0.414     0    0.028   0.080     0.694   97.619   97.619
LGA    K    28_A      K    28_A     0.419     0    0.012   0.105     1.080  100.000   94.762
LGA    C    29_A      C    29_A     0.439     0    0.027   0.073     0.783   95.238   95.238
LGA    H    30_A      H    30_A     0.569     0    0.009   0.171     0.728   90.476   90.476
LGA    F    31_A      F    31_A     0.692     0    0.036   0.073     0.827   90.476   90.476
LGA    D    32_A      D    32_A     0.584     0    0.037   0.386     1.113   90.476   90.536
LGA    K    33_A      K    33_A     0.704     0    0.042   0.880     3.436   90.476   80.476
LGA    C    34_A      C    34_A     0.787     0    0.109   0.124     0.927   90.476   90.476
LGA    N    35_A      N    35_A     0.325     0    0.024   0.250     1.088  100.000   96.488
LGA    K    36_A      K    36_A     0.434     0    0.052   0.774     2.204   97.619   85.079
LGA    S    37_A      S    37_A     0.436     0    0.028   0.046     0.479  100.000  100.000
LGA    Y    38_A      Y    38_A     0.396     0    0.065   0.138     0.851  100.000   94.444
LGA    N    39_A      N    39_A     0.293     0    0.122   0.509     1.504   97.619   93.095
LGA    W    40_A      W    40_A     0.236     0    0.013   0.075     0.839   97.619   95.918
LGA    R    41_A      R    41_A     0.645     0    0.043   1.017     4.276   92.857   79.177
LGA    K    42_A      K    42_A     0.947     0    0.017   0.865     4.480   85.952   76.825
LGA    K    43_A      K    43_A     1.285     0    0.032   0.802     7.454   81.429   59.841
LGA    Y    44_A      Y    44_A     0.910     0    0.119   0.162     1.539   88.214   84.484
LGA    G    45_A      G    45_A     0.543     0    0.026   0.026     0.767   95.238   95.238
LGA    K    46_A      K    46_A     0.347     0    0.076   0.537     1.761  100.000   92.804
LGA    L    47_A      L    47_A     0.285     0    0.026   0.286     1.444  100.000   95.298
LGA    R    48_A      R    48_A     0.264     0    0.028   0.984     4.609  100.000   76.320
LGA    L    49_A      L    49_A     0.191     0    0.010   0.037     0.290  100.000  100.000
LGA    V    50_A      V    50_A     0.482     0    0.028   0.082     0.610   95.238   93.197
LGA    D    51_A      D    51_A     0.663     0    0.011   0.664     2.817   90.476   79.940
LGA    H    52_A      H    52_A     0.318     0    0.048   0.304     1.263   97.619   91.571
LGA    A    53_A      A    53_A     0.652     0    0.017   0.027     0.789   90.476   90.476
LGA    F    54_A      F    54_A     0.834     0    0.040   0.823     4.275   90.476   75.065
LGA    T    55_A      T    55_A     0.367     0    0.046   0.073     0.678  100.000   98.639
LGA    H    56_A      H    56_A     0.271     0    0.057   0.187     1.093  100.000   94.333
LGA    V    57_A      V    57_A     0.599     0    0.228   0.202     1.474   88.333   91.973
LGA    P    58_A      P    58_A     2.745     0    0.679   0.627     4.218   55.952   53.469
LGA    H    59_A      H    59_A     1.016     0    0.132   1.088     7.503   85.952   52.476
LGA    L    60_A      L    60_A     1.067     0    0.063   0.230     1.778   81.429   78.214
LGA    K    61_A      K    61_A     0.922     0    0.018   0.897     3.364   90.476   79.312
LGA    M    62_A      M    62_A     1.039     0    0.016   0.979     2.889   83.690   79.702
LGA    K    63_A      K    63_A     1.728     0    0.023   1.075     7.936   75.000   51.746
LGA    C    64_A      C    64_A     1.825     0    0.048   0.106     2.873   66.905   68.889
LGA    N    65_A      N    65_A     3.011     0    0.077   0.177     3.779   55.476   50.238
LGA    F    66_A      F    66_A     2.607     0    0.018   0.084     2.843   57.143   59.221
LGA    C    67_A      C    67_A     2.708     0    0.050   0.086     2.797   57.143   59.683
LGA    D    68_A      D    68_A     3.139     0    0.043   0.308     4.928   53.571   45.417
LGA    Y    69_A      Y    69_A     2.069     0    0.048   0.047     2.318   68.810   73.730
LGA    M    70_A      M    70_A     1.810     0    0.103   0.227     3.685   70.833   64.167
LGA    C    71_A      C    71_A     1.176     0    0.082   0.130     1.264   85.952   85.952
LGA    K    72_A      K    72_A     0.968     0    0.048   0.679     3.695   85.952   74.021
LGA    G    73_A      G    73_A     0.969     0    0.072   0.072     1.150   85.952   85.952
LGA    I    74_A      I    74_A     1.585     0    0.060   0.102     2.122   75.000   71.905
LGA    R    75_A      R    75_A     2.640     0    0.018   0.819     4.624   62.857   51.342
LGA    N    76_A      N    76_A     2.016     0    0.023   0.083     2.708   68.810   65.833
LGA    I    77_A      I    77_A     0.734     0    0.033   0.087     1.168   83.690   89.464
LGA    R    78_A      R    78_A     1.998     0    0.015   0.314     4.588   68.810   53.506
LGA    L    79_A      L    79_A     2.336     0    0.029   1.390     6.401   68.810   52.262
LGA    H    80_A      H    80_A     1.234     0    0.075   0.179     1.606   83.810   84.238
LGA    H    81_A      H    81_A     0.910     0    0.066   1.096     6.052   85.952   61.952
LGA    K    82_A      K    82_A     1.773     0    0.088   0.541     4.567   75.000   64.762
LGA    K    83_A      K    83_A     1.740     0    0.027   0.360     4.972   77.143   61.005
LGA    S    84_A      S    84_A     1.024     0    0.008   0.043     1.519   85.952   83.016
LGA    H    85_A      H    85_A     0.642     0    0.022   0.118     1.504   90.595   85.143
LGA    P    86_A      P    86_A     1.508     0    0.099   0.108     2.613   71.310   79.592
LGA    D    87_A      D    87_A     2.713     0    0.023   1.144     6.093   57.262   45.119
LGA    E    88_A      E    88_A     2.296     0    0.171   0.242     3.509   64.762   61.587
LGA    Q    89_A      Q    89_A     2.859     0    0.626   0.916     7.083   59.048   39.683
LGA    L    90_A      L    90_A     5.200     0    0.224   1.432    12.323   31.786   16.905
LGA    T    91_A      T    91_A     2.335     0    0.654   0.787     4.419   57.500   52.517
LGA    G    92_A      G    92_A     3.102     0    0.082   0.082     3.102   63.333   63.333
LGA    F    93_A      F    93_A     3.482     0    0.575   1.316     7.894   48.810   29.437
LGA    G    94_A      G    94_A     6.459     0    0.655   0.655     6.459   20.714   20.714
LGA    I    95_A      I    95_A     5.292     0    0.063   1.110     6.221   22.619   25.952
LGA    K    96_A      K    96_A     6.466     0    0.261   0.706     9.641   15.476   10.212
LGA    S    97_A      S    97_A     6.884     0    0.199   0.632     8.678   15.238   12.302
LGA    V    98_A      V    98_A     5.311     0    0.046   0.056     6.000   29.048   28.707
LGA    V    99_A      V    99_A     3.679     0    0.055   0.064     4.388   43.452   44.354
LGA    R   100_A      R   100_A     5.382     0    0.127   0.761     9.474   24.048   14.416
LGA    T   101_A      T   101_A     6.261     0    0.057   1.048    10.046   19.286   14.898
LGA    S   102_A      S   102_A     4.808     0    0.118   0.131     5.121   37.738   36.587
LGA    K   103_A      K   103_A     3.595     0    0.080   0.076     5.956   46.905   36.667
LGA    K   104_A      K   104_A     3.102     4    0.156   0.145     4.248   57.381   29.630
LGA    G   105_A      G   105_A     1.388     0    0.105   0.105     1.774   83.810   83.810
LGA    K   106_A      K   106_A     0.923     0    0.072   1.005     5.082   90.476   73.122
LGA    D   107_A      D   107_A     0.891     0    0.106   0.113     1.217   90.476   87.083
LGA    L   108_A      L   108_A     1.002     0    0.042   1.426     4.659   85.952   68.750
LGA    A   109_A      A   109_A     0.361     0    0.060   0.072     0.653   97.619   96.190
LGA    K   110_A      K   110_A     0.453     0    0.050   0.736     2.098   95.238   84.921
LGA    V   111_A      V   111_A     0.605     0    0.043   0.875     2.396   90.476   85.510
LGA    W   112_A      W   112_A     0.352     0    0.013   0.087     1.020   95.238   91.224
LGA    D   113_A      D   113_A     0.501     0    0.074   0.808     3.281   92.857   82.381
LGA    E   114_A      E   114_A     0.799     0    0.060   0.098     1.134   88.214   88.466
LGA    C   115_A      C   115_A     0.726     0    0.029   0.054     0.983   90.476   90.476
LGA    F   116_A      F   116_A     0.853     0    0.044   0.124     1.321   90.476   88.009
LGA    K   117_A      K   117_A     0.893     0    0.048   0.692     2.144   90.476   83.704
LGA    K   118_A      K   118_A     0.834     0    0.042   0.112     0.908   90.476   90.476
LGA    N   119_A      N   119_A     0.658     0    0.091   0.101     0.753   90.476   91.667
LGA    R   120_A      R   120_A     0.817     6    0.026   0.024     0.897   90.476   41.126
LGA    V   121_A      V   121_A     0.843     0    0.036   0.052     0.974   90.476   90.476
LGA    L   122_A      L   122_A     0.806     0    0.028   0.057     1.067   90.476   89.345
LGA    Q   123_A      Q   123_A     0.923     0    0.632   0.663     3.539   76.429   75.450
LGA    H   124_A      H   124_A     1.776     0    0.422   1.141     9.831   75.476   37.190
LGA    G   125_A      G   125_A     4.939     0    0.132   0.132     8.840   26.190   26.190
LGA    S   126_A      S   126_A     9.699     0    0.085   0.710    10.492    2.619    1.746

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     2.417          2.384                  2.938           76.525   69.943

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     96    1.74    80.952    78.613     5.224

LGA_LOCAL      RMSD:   1.738  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.479  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.417  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.848687 * X  +   0.523047 * Y  +  -0.078439 * Z  +   0.208347
  Y_new =  -0.147335 * X  +  -0.091367 * Y  +   0.984858 * Z  + -21.393993
  Z_new =   0.507960 * X  +   0.847392 * Y  +   0.154605 * Z  +  12.712092 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.969703 -0.532815  1.390334   [DEG: -170.1514  -30.5280   79.6602 ]
ZXZ: -3.062115  1.415569  0.540007   [DEG: -175.4463   81.1061   30.9401 ]
 
# END of job
