
#######################################################
#                                                     #
#                        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       1.62     1.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.62     1.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      22_A - 90_A        0.92     1.71
  LONGEST_CONTINUOUS_SEGMENT:    69      23_A - 91_A        0.95     1.67
  LCS_AVERAGE:     49.18

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     69  105  105      3   17   49   81   95   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     69  105  105     29   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     69  105  105     42   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     69  105  105     38   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     69  105  105     47   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     69  105  105     38   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     69  105  105     36   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     69  105  105     31   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     69  105  105     31   75   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     69  105  105     31   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     69  105  105     47   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     69  105  105     40   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     69  105  105     31   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     69  105  105      3    5   80   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     69  105  105     27   75   86   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     69  105  105     27   75   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     69  105  105     52   76   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     69  105  105     29   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     69  105  105      8   61   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     69  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     69  105  105      3    5   40   89   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     69  105  105      3    3    4    6    6   98  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     69  105  105      3    5   55   79   93   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3    4   35   61   90   96  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A     11  105  105     12   41   72   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A     11  105  105     13   57   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A     11  105  105     25   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A     11  105  105     22   73   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A     11  105  105     17   60   86   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     11  105  105     18   43   80   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     11  105  105      3   12   49   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     11  105  105      4   20   67   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     11  105  105      4   15   55   86   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     21  105  105      5   32   71   92   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     21  105  105     25   70   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     21  105  105      3    4   41   83   94   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     21  105  105     39   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     21  105  105     26   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     21  105  105      5   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     21  105  105     13   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     21  105  105     46   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     21  105  105     49   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     21  105  105     50   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     21  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     21  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     21  105  105     51   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     21  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     21  105  105     29   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     21  105  105     12   74   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     21  105  105     16   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     21  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     21  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     21  105  105     52   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     21  105  105     36   77   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     21  105  105      8   74   87   93   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     21  105  105      3    6   40   91   98   99  102  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      3  105  105      3    3    4    5   30   37   97  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      3  105  105      3    3    4    5    5    5    7    8    8   11   13   76  102  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  83.06  (  49.18  100.00  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     52     77     87     93     98     99    102    103    104    104    104    104    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  49.52  73.33  82.86  88.57  93.33  94.29  97.14  98.10  99.05  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.55   0.70   0.84   1.02   1.07   1.21   1.28   1.34   1.34   1.34   1.34   1.34   1.62   1.62   1.62   1.62   1.62   1.62   1.62
GDT RMS_ALL_AT   1.73   1.65   1.64   1.64   1.63   1.63   1.63   1.63   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_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     3.361     0    0.335   0.949     5.510   57.381   46.071
LGA    K    23_A      K    23_A     1.043     0    0.143   0.790     3.985   81.548   74.497
LGA    V    24_A      V    24_A     0.506     0    0.031   0.038     0.691   90.476   93.197
LGA    H    25_A      H    25_A     0.683     0    0.056   0.069     0.913   90.476   90.476
LGA    I    26_A      I    26_A     0.542     0    0.006   1.269     3.217   92.857   78.274
LGA    I    27_A      I    27_A     0.450     0    0.041   0.069     0.606   95.238   92.857
LGA    K    28_A      K    28_A     0.219     0    0.010   0.102     0.601  100.000   98.942
LGA    C    29_A      C    29_A     0.326     0    0.035   0.080     0.586   97.619   96.825
LGA    H    30_A      H    30_A     0.368     0    0.007   0.196     0.730   95.238   95.238
LGA    F    31_A      F    31_A     0.669     0    0.034   0.049     1.023   90.476   88.831
LGA    D    32_A      D    32_A     0.638     0    0.035   0.359     1.160   90.476   90.536
LGA    K    33_A      K    33_A     0.838     0    0.048   0.874     3.666   90.476   79.735
LGA    C    34_A      C    34_A     0.859     0    0.099   0.117     0.907   90.476   90.476
LGA    N    35_A      N    35_A     0.578     0    0.026   0.148     1.098   95.238   91.726
LGA    K    36_A      K    36_A     0.354     0    0.050   0.867     3.429   97.619   80.794
LGA    S    37_A      S    37_A     0.320     0    0.033   0.049     0.406  100.000  100.000
LGA    Y    38_A      Y    38_A     0.357     0    0.065   0.119     0.876  100.000   94.444
LGA    N    39_A      N    39_A     0.280     0    0.105   0.318     1.674  100.000   95.417
LGA    W    40_A      W    40_A     0.571     0    0.013   0.151     0.707   90.476   93.197
LGA    R    41_A      R    41_A     0.790     0    0.047   1.055     4.670   88.214   75.758
LGA    K    42_A      K    42_A     1.095     0    0.019   0.858     3.946   83.690   76.296
LGA    K    43_A      K    43_A     1.292     0    0.026   0.848     7.254   81.429   59.841
LGA    Y    44_A      Y    44_A     1.108     0    0.145   0.223     2.178   83.690   77.262
LGA    G    45_A      G    45_A     0.623     0    0.027   0.027     0.918   92.857   92.857
LGA    K    46_A      K    46_A     0.297     0    0.049   0.542     1.623  100.000   92.804
LGA    L    47_A      L    47_A     0.223     0    0.018   0.114     0.808  100.000   96.429
LGA    R    48_A      R    48_A     0.132     0    0.027   1.045     5.167  100.000   74.242
LGA    L    49_A      L    49_A     0.248     0    0.009   0.033     0.366  100.000  100.000
LGA    V    50_A      V    50_A     0.443     0    0.046   0.070     0.565  100.000   98.639
LGA    D    51_A      D    51_A     0.414     0    0.025   0.238     0.940   97.619   95.238
LGA    H    52_A      H    52_A     0.363     0    0.048   0.221     1.506   95.238   87.905
LGA    A    53_A      A    53_A     0.821     0    0.028   0.041     0.925   90.476   90.476
LGA    F    54_A      F    54_A     0.813     0    0.032   0.810     3.051   92.857   73.810
LGA    T    55_A      T    55_A     0.084     0    0.054   0.098     0.338  100.000  100.000
LGA    H    56_A      H    56_A     0.545     0    0.050   0.184     1.262   92.857   88.714
LGA    V    57_A      V    57_A     0.721     0    0.137   0.131     1.468   85.952   87.891
LGA    P    58_A      P    58_A     1.915     0    0.648   0.622     3.696   67.619   68.707
LGA    H    59_A      H    59_A     1.585     0    0.111   1.108     7.902   79.286   47.190
LGA    L    60_A      L    60_A     1.368     0    0.126   0.129     2.064   79.286   75.060
LGA    K    61_A      K    61_A     0.790     0    0.010   0.887     1.702   90.476   87.566
LGA    M    62_A      M    62_A     0.815     0    0.010   0.833     3.459   90.476   84.286
LGA    K    63_A      K    63_A     0.631     0    0.034   1.097     7.412   90.476   65.661
LGA    C    64_A      C    64_A     0.796     0    0.042   0.109     1.042   88.214   88.968
LGA    N    65_A      N    65_A     1.072     0    0.074   0.163     1.756   88.214   81.607
LGA    F    66_A      F    66_A     0.656     0    0.019   0.069     1.160   92.857   88.874
LGA    C    67_A      C    67_A     0.637     0    0.049   0.084     0.914   90.476   90.476
LGA    D    68_A      D    68_A     0.742     0    0.034   0.302     1.922   90.476   86.012
LGA    Y    69_A      Y    69_A     0.588     0    0.055   0.054     0.824   90.476   96.825
LGA    M    70_A      M    70_A     0.664     0    0.079   0.220     1.256   90.476   89.345
LGA    C    71_A      C    71_A     0.682     0    0.067   0.109     0.968   90.476   92.063
LGA    K    72_A      K    72_A     0.514     0    0.046   0.696     1.917   90.476   87.619
LGA    G    73_A      G    73_A     0.605     0    0.057   0.057     0.605   95.238   95.238
LGA    I    74_A      I    74_A     0.397     0    0.056   0.071     0.731  100.000   96.429
LGA    R    75_A      R    75_A     0.396     0    0.013   0.989     3.214  100.000   81.645
LGA    N    76_A      N    76_A     0.235     0    0.032   0.102     0.452  100.000  100.000
LGA    I    77_A      I    77_A     0.324     0    0.042   0.084     0.500  100.000  100.000
LGA    R    78_A      R    78_A     0.567     0    0.016   0.330     1.548   92.857   88.095
LGA    L    79_A      L    79_A     0.452     0    0.034   1.393     3.561  100.000   82.262
LGA    H    80_A      H    80_A     0.412     0    0.078   0.173     0.683   97.619   96.190
LGA    H    81_A      H    81_A     0.414     0    0.012   1.208     5.605  100.000   71.190
LGA    K    82_A      K    82_A     0.450     0    0.082   0.551     1.906   97.619   94.868
LGA    K    83_A      K    83_A     0.247     0    0.034   0.380     2.462  100.000   90.952
LGA    S    84_A      S    84_A     0.278     0    0.015   0.049     0.444  100.000  100.000
LGA    H    85_A      H    85_A     0.526     0    0.039   0.144     0.880   92.857   95.238
LGA    P    86_A      P    86_A     0.935     0    0.098   0.102     1.709   83.810   86.667
LGA    D    87_A      D    87_A     1.761     0    0.027   1.138     5.650   77.143   57.917
LGA    E    88_A      E    88_A     0.747     0    0.250   0.324     2.106   88.214   84.603
LGA    Q    89_A      Q    89_A     2.497     0    0.603   0.971     5.284   59.524   45.397
LGA    L    90_A      L    90_A     4.046     0    0.171   1.406    11.084   46.905   26.310
LGA    T    91_A      T    91_A     3.239     0    0.012   0.829     6.384   55.476   41.701
LGA    G    92_A      G    92_A     4.190     0    0.675   0.675     4.688   40.714   40.714
LGA    F    93_A      F    93_A     2.126     0    0.514   1.252     4.898   75.238   53.420
LGA    G    94_A      G    94_A     1.355     0    0.024   0.024     1.679   79.286   79.286
LGA    I    95_A      I    95_A     0.831     0    0.113   1.065     3.003   88.214   82.024
LGA    K    96_A      K    96_A     1.282     0    0.215   0.685     4.415   77.381   68.254
LGA    S    97_A      S    97_A     1.801     0    0.225   0.565     3.356   75.000   70.476
LGA    V    98_A      V    98_A     2.056     0    0.053   0.050     2.560   64.762   62.585
LGA    V    99_A      V    99_A     2.250     0    0.045   0.058     2.683   64.762   62.585
LGA    R   100_A      R   100_A     2.399     0    0.142   0.628     4.376   59.167   53.593
LGA    T   101_A      T   101_A     3.103     0    0.034   1.032     5.995   53.571   50.272
LGA    S   102_A      S   102_A     2.495     0    0.043   0.057     2.551   66.905   64.921
LGA    K   103_A      K   103_A     1.445     0    0.089   0.288     5.267   79.524   59.312
LGA    K   104_A      K   104_A     2.966     4    0.146   0.143     4.615   54.643   27.778
LGA    G   105_A      G   105_A     0.746     0    0.032   0.032     1.004   92.976   92.976
LGA    K   106_A      K   106_A     0.957     0    0.033   0.977     4.479   88.214   74.127
LGA    D   107_A      D   107_A     1.010     0    0.103   0.122     1.826   88.214   81.607
LGA    L   108_A      L   108_A     0.857     0    0.038   1.415     4.560   90.476   71.012
LGA    A   109_A      A   109_A     0.238     0    0.061   0.071     0.483  100.000  100.000
LGA    K   110_A      K   110_A     0.309     0    0.063   0.737     2.475  100.000   88.254
LGA    V   111_A      V   111_A     0.440     0    0.034   0.868     2.276   97.619   89.728
LGA    W   112_A      W   112_A     0.279     0    0.012   0.107     0.880   97.619   94.558
LGA    D   113_A      D   113_A     0.335     0    0.078   0.938     3.837  100.000   83.155
LGA    E   114_A      E   114_A     0.502     0    0.060   0.395     1.257   92.857   89.524
LGA    C   115_A      C   115_A     0.467     0    0.026   0.050     0.800   95.238   93.651
LGA    F   116_A      F   116_A     0.808     0    0.035   0.135     1.443   90.476   87.186
LGA    K   117_A      K   117_A     1.192     0    0.035   0.668     3.866   83.690   66.243
LGA    K   118_A      K   118_A     0.813     0    0.032   0.105     1.107   90.476   88.466
LGA    N   119_A      N   119_A     0.273     0    0.086   0.114     0.473  100.000  100.000
LGA    R   120_A      R   120_A     0.387     6    0.027   0.026     0.506  100.000   44.589
LGA    V   121_A      V   121_A     0.529     0    0.060   1.195     3.198   92.857   81.293
LGA    L   122_A      L   122_A     0.727     0    0.052   0.111     1.078   90.476   91.726
LGA    Q   123_A      Q   123_A     1.516     0    0.605   0.684     3.821   65.595   66.931
LGA    H   124_A      H   124_A     2.629     0    0.486   1.120    10.808   71.310   33.667
LGA    G   125_A      G   125_A     4.417     0    0.085   0.085     8.354   29.048   29.048
LGA    S   126_A      S   126_A     9.504     0    0.253   0.747    10.980    3.452    2.381

# 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):     1.616          1.640                  2.214           86.359   79.333

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.28    90.000    94.574     7.477

LGA_LOCAL      RMSD:   1.278  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.627  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.616  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.889227 * X  +   0.456334 * Y  +  -0.032180 * Z  +   5.155867
  Y_new =  -0.184252 * X  +  -0.292876 * Y  +   0.938230 * Z  + -24.156652
  Z_new =   0.418721 * X  +   0.840228 * Y  +   0.344513 * Z  +  13.437026 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.937279 -0.432037  1.181679   [DEG: -168.2937  -24.7539   67.7052 ]
ZXZ: -3.107307  1.219076  0.462321   [DEG: -178.0356   69.8479   26.4890 ]
 
# END of job
