
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , 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:   126       7_B - 134_B       2.26     2.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       7_B - 94_B        1.99     2.48
  LCS_AVERAGE:     61.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      28_B - 70_B        1.00     3.01
  LONGEST_CONTINUOUS_SEGMENT:    43      29_B - 71_B        1.00     3.06
  LCS_AVERAGE:     25.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     E     7_B     E     7_B     38   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     38   88  126     25   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     38   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     38   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     38   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     38   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     38   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     38   88  126     29   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     38   88  126     30   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     38   88  126     30   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     38   88  126     30   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     38   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     38   88  126     18   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     43   88  126     22   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     43   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     43   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     43   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     43   88  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     43   88  126     31   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     43   88  126     31   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     43   88  126     31   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     43   88  126      8   46   74   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     43   88  126      3    4   11   16   78   97  103  115  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     43   88  126      4    9   20   62   85   97  104  114  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     43   88  126     10   46   73   87   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     43   88  126      4   33   59   86   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     43   88  126     31   60   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     43   88  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     43   88  126     29   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     43   88  126     23   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     43   88  126     19   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     43   88  126     13   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     43   88  126     13   47   75   88   97  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     43   88  126      4   37   73   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     43   88  126     13   47   75   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     43   88  126      4   47   75   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     43   88  126      8   36   62   83   93  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     40   88  126     12   36   59   82   93  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     33   88  126      5   12   35   63   88   97  108  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     33   88  126      5   28   47   69   89   99  108  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     33   88  126      8   34   56   79   90   99  109  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     33   88  126      5   30   53   78   89   99  108  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     33   88  126      3   30   53   78   89   99  108  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     33   88  126     11   36   59   82   93  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      4   88  126      3    4    6   19   61   96  108  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      4   88  126      3   18   52   78   93  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4   88  126      3    4    6   16   45   81  103  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4   88  126     14   56   77   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     15   88  126     12   43   67   87   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     15   88  126      3   33   75   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     15   88  126     22   60   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     15   88  126     22   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     15   88  126     22   57   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     15   88  126     22   57   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     15   88  126     18   51   77   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     15   88  126     18   44   72   87   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     15   88  126     18   38   71   87   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     15   88  126     18   37   67   86   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     15   88  126     13   36   53   75   96  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     15   88  126      5   14   51   73   90  102  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     15   54  126      5   36   52   73   90  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     15   54  126      5   32   52   73   90  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     15   54  126      4   21   51   67   90  103  111  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     13   54  126      4   10   16   55   75   92  106  115  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     13   54  126      4   10   16   75   96  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     27   54  126      7   37   63   82   96  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     27   54  126     18   36   52   75   96  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     27   54  126      5   36   52   75   91  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     27   54  126      5   36   52   77   96  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     27   54  126     15   37   67   86   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     27   54  126     18   44   73   87   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     27   54  126     18   52   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     27   54  126     21   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     27   54  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     27   54  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     27   54  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     27   54  126     28   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     27   54  126     19   57   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     27   54  126      3   23   58   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     27   54  126     21   59   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     27   54  126     23   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     27   54  126     32   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     27   54  126     30   62   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     27   54  126     30   60   78   88   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     27   54  126      7   36   67   86   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     11   54  126      3    5   24   52   89  100  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     11   54  126      3    6   17   35   59   98  106  115  124  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      5   54  126      3    4    5   74   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      5   54  126      3   26   53   75   96  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      5   54  126      3   41   71   86   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  62.27  (  25.12   61.70  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     32     62     78     88     98    104    112    118    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  25.40  49.21  61.90  69.84  77.78  82.54  88.89  93.65  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.60   0.78   0.98   1.25   1.48   1.77   1.98   2.22   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26
GDT RMS_ALL_AT   2.45   2.54   2.56   2.56   2.39   2.33   2.30   2.27   2.27   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26

# Checking swapping
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  E    30_B      E    30_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.025     0    0.242   0.369     3.726   79.286   70.899
LGA    E     8_B      E     8_B     1.594     0    0.047   0.970     4.797   79.286   62.804
LGA    A     9_B      A     9_B     0.774     0    0.046   0.054     1.033   88.214   88.667
LGA    K    10_B      K    10_B     0.917     0    0.026   0.778     4.268   85.952   70.053
LGA    E    11_B      E    11_B     1.516     0    0.040   0.724     4.638   79.286   64.286
LGA    A    12_B      A    12_B     1.023     0    0.022   0.024     1.143   85.952   85.048
LGA    I    13_B      I    13_B     0.970     0    0.018   0.281     1.849   88.214   83.750
LGA    I    14_B      I    14_B     1.073     0    0.025   0.208     1.320   81.429   83.690
LGA    A    15_B      A    15_B     1.306     0    0.042   0.053     1.647   79.286   79.714
LGA    M    16_B      M    16_B     1.315     0    0.016   0.813     4.147   81.429   74.821
LGA    L    17_B      L    17_B     1.332     0    0.021   0.074     1.516   79.286   81.488
LGA    K    18_B      K    18_B     1.616     0    0.039   0.653     4.878   75.000   60.423
LGA    E    19_B      E    19_B     1.318     0    0.032   0.395     1.396   81.429   82.434
LGA    W    20_B      W    20_B     1.339     0    0.022   0.256     1.940   79.286   80.272
LGA    Y    21_B      Y    21_B     1.468     0    0.029   0.166     1.795   77.143   80.000
LGA    D    22_B      D    22_B     1.680     0    0.015   0.038     1.789   72.857   72.857
LGA    A    23_B      A    23_B     1.484     0    0.028   0.037     1.570   75.000   76.286
LGA    M    24_B      M    24_B     1.847     0    0.079   0.950     2.985   68.810   64.881
LGA    N    25_B      N    25_B     2.018     0    0.071   0.799     3.240   68.810   64.940
LGA    E    26_B      E    26_B     1.450     0    0.086   0.133     1.611   79.286   81.481
LGA    G    27_B      G    27_B     1.406     0    0.053   0.053     1.406   81.429   81.429
LGA    D    28_B      D    28_B     0.834     0    0.017   0.071     1.031   90.476   89.345
LGA    M    29_B      M    29_B     0.858     0    0.048   0.603     1.458   90.476   87.083
LGA    E    30_B      E    30_B     0.629     0    0.031   1.021     4.012   90.476   74.392
LGA    K    31_B      K    31_B     0.639     0    0.032   1.122     4.043   90.476   82.593
LGA    L    32_B      L    32_B     0.650     0    0.038   0.095     1.046   90.476   89.345
LGA    R    33_B      R    33_B     0.553     0    0.032   1.091     5.548   92.857   76.710
LGA    S    34_B      S    34_B     0.369     0    0.136   0.736     1.999   97.619   93.889
LGA    L    35_B      L    35_B     0.377     0    0.023   0.106     1.074  100.000   95.298
LGA    V    36_B      V    36_B     0.399     0    0.047   0.065     0.498  100.000  100.000
LGA    D    37_B      D    37_B     0.327     0    0.043   0.235     0.849  100.000   98.810
LGA    P    38_B      P    38_B     0.797     0    0.014   0.075     0.999   90.476   90.476
LGA    D    39_B      D    39_B     0.773     0    0.051   0.707     1.897   90.476   87.143
LGA    A    40_B      A    40_B     0.578     0    0.028   0.057     0.895   90.476   92.381
LGA    S    41_B      S    41_B     0.866     0    0.098   0.094     1.002   90.476   88.968
LGA    F    42_B      F    42_B     0.510     0    0.097   0.099     0.663   90.476   96.537
LGA    V    43_B      V    43_B     1.152     0    0.051   0.071     1.636   83.690   81.497
LGA    D    44_B      D    44_B     2.202     0    0.107   0.612     3.412   64.881   61.071
LGA    A    45_B      A    45_B     4.765     0    0.137   0.148     6.077   33.095   29.905
LGA    R    46_B      R    46_B     4.799     0    0.051   0.871     9.266   34.286   21.688
LGA    T    47_B      T    47_B     2.589     0    0.038   0.050     3.290   63.333   60.748
LGA    N    48_B      N    48_B     2.223     0    0.021   1.065     4.301   70.952   60.714
LGA    Q    49_B      Q    49_B     1.224     0    0.075   1.158     5.745   77.143   56.190
LGA    V    50_B      V    50_B     0.729     0    0.011   0.056     0.948   90.476   90.476
LGA    Y    51_B      Y    51_B     0.730     0    0.005   0.157     1.409   90.476   86.706
LGA    D    52_B      D    52_B     0.456     0    0.019   0.083     0.961   97.619   95.238
LGA    K    53_B      K    53_B     0.236     0    0.016   0.086     0.478  100.000  100.000
LGA    D    54_B      D    54_B     0.660     0    0.042   0.098     0.785   90.476   90.476
LGA    Q    55_B      Q    55_B     0.757     0    0.027   0.216     1.030   90.476   89.471
LGA    F    56_B      F    56_B     0.723     0    0.027   0.113     0.985   90.476   90.476
LGA    L    57_B      L    57_B     0.744     0    0.031   0.060     0.747   90.476   90.476
LGA    Q    58_B      Q    58_B     0.880     0    0.027   0.464     2.410   90.476   81.693
LGA    M    59_B      M    59_B     0.877     0    0.027   0.694     3.197   88.214   84.286
LGA    I    60_B      I    60_B     0.924     0    0.025   0.600     2.246   85.952   85.000
LGA    K    61_B      K    61_B     1.134     0    0.015   0.600     2.266   81.429   80.582
LGA    E    62_B      E    62_B     1.471     0    0.017   0.178     1.689   77.143   78.571
LGA    A    63_B      A    63_B     1.513     0    0.031   0.040     1.906   75.000   74.571
LGA    L    64_B      L    64_B     1.955     0    0.036   0.097     2.237   68.810   67.798
LGA    E    65_B      E    65_B     2.251     0    0.025   0.144     2.665   62.857   63.915
LGA    Q    66_B      Q    66_B     2.518     0    0.123   0.973     3.697   59.048   62.593
LGA    D    67_B      D    67_B     2.908     0    0.065   0.090     3.803   55.357   51.845
LGA    L    68_B      L    68_B     2.674     0    0.032   0.822     3.988   57.143   53.690
LGA    K    69_B      K    69_B     2.753     0    0.034   0.366     4.006   57.143   53.333
LGA    V    70_B      V    70_B     2.697     0    0.165   1.101     4.837   59.048   56.803
LGA    E    71_B      E    71_B     3.671     0    0.034   0.455     5.789   45.000   36.984
LGA    V    72_B      V    72_B     3.692     0    0.017   0.035     4.160   40.238   43.469
LGA    K    73_B      K    73_B     4.826     0    0.037   0.516     6.598   31.548   24.656
LGA    S    74_B      S    74_B     4.697     0    0.101   0.554     5.252   34.286   31.587
LGA    I    75_B      I    75_B     4.240     0    0.029   0.070     4.382   37.143   39.464
LGA    D    76_B      D    76_B     4.734     0    0.045   0.909     8.673   31.429   22.917
LGA    I    77_B      I    77_B     4.636     0    0.101   0.178     6.406   34.286   28.512
LGA    E    78_B      E    78_B     3.590     0    0.050   0.614     4.607   38.810   42.381
LGA    Q    79_B      Q    79_B     4.773     0    0.078   0.661    11.861   37.262   18.571
LGA    Q    80_B      Q    80_B     3.338     0    0.290   1.247     5.505   45.000   45.979
LGA    P    81_B      P    81_B     5.241     0    0.712   0.617     8.771   36.071   24.354
LGA    D    82_B      D    82_B     1.353     0    0.112   0.170     2.976   69.286   67.202
LGA    G    83_B      G    83_B     2.035     0    0.492   0.492     2.035   86.429   86.429
LGA    D    84_B      D    84_B     1.611     0    0.120   0.177     3.981   77.143   63.631
LGA    V    85_B      V    85_B     1.049     0    0.046   0.168     2.000   83.690   79.048
LGA    V    86_B      V    86_B     1.315     0    0.026   0.143     1.776   81.429   80.204
LGA    I    87_B      I    87_B     1.717     0    0.063   0.153     2.152   72.857   70.833
LGA    V    88_B      V    88_B     1.731     0    0.020   0.117     1.808   72.857   72.857
LGA    K    89_B      K    89_B     1.965     0    0.050   0.386     2.770   68.810   67.566
LGA    V    90_B      V    90_B     1.992     0    0.042   0.086     2.069   72.857   70.544
LGA    K    91_B      K    91_B     1.988     0    0.042   0.760     2.459   66.786   71.376
LGA    V    92_B      V    92_B     2.170     0    0.093   0.130     2.410   68.810   69.388
LGA    R    93_B      R    93_B     3.333     0    0.050   1.132    10.754   46.667   28.961
LGA    A    94_B      A    94_B     3.929     0    0.064   0.075     3.956   43.333   43.333
LGA    T    95_B      T    95_B     3.993     0    0.100   1.083     5.521   38.690   41.769
LGA    M    96_B      M    96_B     4.025     0    0.079   0.819     4.310   40.238   41.071
LGA    V    97_B      V    97_B     4.092     0    0.099   0.169     4.845   35.714   36.327
LGA    R    98_B      R    98_B     4.411     0    0.110   1.232     8.984   37.143   24.892
LGA    Q   101_B      Q   101_B     2.795     0    0.128   1.294     7.626   53.571   42.169
LGA    E   102_B      E   102_B     2.817     0    0.051   0.724     3.591   57.143   54.815
LGA    H   103_B      H   103_B     3.572     0    0.065   0.182     3.844   45.000   45.333
LGA    V   104_B      V   104_B     3.743     0    0.077   0.124     4.134   41.786   42.449
LGA    F   105_B      F   105_B     3.099     0    0.044   1.250     6.998   53.571   39.740
LGA    E   106_B      E   106_B     2.111     0    0.092   1.110     4.864   68.810   56.772
LGA    V   107_B      V   107_B     1.232     0    0.034   1.159     2.890   79.286   73.265
LGA    V   108_B      V   108_B     1.016     0    0.014   0.094     1.328   88.214   85.306
LGA    D   109_B      D   109_B     1.311     0    0.092   0.179     1.852   79.286   80.357
LGA    T   110_B      T   110_B     1.330     0    0.039   0.057     1.943   83.690   79.048
LGA    Y   111_B      Y   111_B     0.964     0    0.017   0.111     1.160   85.952   86.706
LGA    E   112_B      E   112_B     0.802     0    0.032   0.320     1.863   92.857   87.566
LGA    F   113_B      F   113_B     0.404     0    0.045   0.154     1.410   97.619   90.649
LGA    R   114_B      R   114_B     0.622     0    0.063   0.888     2.583   92.857   85.108
LGA    R   115_B      R   115_B     1.386     0    0.644   1.806     5.328   69.762   62.511
LGA    K   116_B      K   116_B     2.133     0    0.526   0.863     5.003   55.238   60.582
LGA    G   117_B      G   117_B     1.704     0    0.069   0.069     1.704   75.000   75.000
LGA    D   118_B      D   118_B     1.404     0    0.143   0.531     2.495   83.690   75.238
LGA    S   119_B      S   119_B     0.691     0    0.247   0.609     1.171   88.214   85.952
LGA    W   120_B      W   120_B     0.677     0    0.064   0.165     0.893   92.857   91.156
LGA    K   121_B      K   121_B     0.254     0    0.023   0.087     0.429  100.000  100.000
LGA    I   122_B      I   122_B     0.178     0    0.029   0.079     0.403  100.000  100.000
LGA    V   123_B      V   123_B     0.343     0    0.053   0.082     0.584   97.619   98.639
LGA    K   124_B      K   124_B     0.553     0    0.047   0.155     1.214   95.238   90.582
LGA    L   125_B      L   125_B     0.582     0    0.103   0.113     0.978   90.476   94.048
LGA    V   126_B      V   126_B     0.863     0    0.030   0.062     1.375   90.476   86.599
LGA    S   127_B      S   127_B     0.253     0    0.087   0.633     2.091  100.000   94.127
LGA    E   128_B      E   128_B     0.517     0    0.107   0.748     1.688   95.238   88.624
LGA    I   129_B      I   129_B     1.672     0    0.083   0.668     4.150   73.214   61.786
LGA    T   130_B      T   130_B     4.038     0    0.628   1.004     6.137   35.000   33.061
LGA    Q   131_B      Q   131_B     5.205     0    0.054   0.990    12.946   31.786   15.450
LGA    L   132_B      L   132_B     2.272     0    0.042   1.407     6.867   55.952   41.131
LGA    G   133_B      G   133_B     3.241     0    0.151   0.151     3.241   61.071   61.071
LGA    S   134_B      S   134_B     1.858     0    0.132   0.625     3.148   61.190   63.730

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     2.265          2.270                  2.838           72.959   69.332

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    118    1.98    78.175    77.919     5.664

LGA_LOCAL      RMSD:   1.983  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.272  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.265  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.606576 * X  +   0.243288 * Y  +  -0.756886 * Z  + -15.530584
  Y_new =   0.781944 * X  +  -0.010577 * Y  +   0.623259 * Z  +  12.071674
  Z_new =   0.143626 * X  +  -0.969896 * Y  +  -0.196653 * Z  +  17.196560 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.911031 -0.144125 -1.770841   [DEG:   52.1983   -8.2577 -101.4617 ]
ZXZ: -2.259674  1.768740  2.994577   [DEG: -129.4698  101.3413  171.5766 ]
 
# END of job
