
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       5_B - 102_B       0.96     1.60
  LCS_AVERAGE:     64.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     Q     5_B     Q     5_B     98  125  125     39   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     98  125  125     37   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     98  125  125     45   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     98  125  125      4   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     98  125  125     35   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     98  125  125     32   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     98  125  125     51   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     98  125  125     51   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     98  125  125     51   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     98  125  125     32   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     98  125  125     13   76  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     98  125  125      3    4   84  112  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     98  125  125     41   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     98  125  125     51   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     98  125  125      3   27   94  116  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     98  125  125      8   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     98  125  125     11   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     98  125  125     51   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     98  125  125     49   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     98  125  125     14   79  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     98  125  125     52   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     98  125  125     32   95  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     98  125  125     35   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     98  125  125     35   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     98  125  125     43   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     98  125  125     33   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     98  125  125     41   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     98  125  125     41   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     98  125  125     40   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     98  125  125      3   50  110  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     98  125  125     13   72  110  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     98  125  125     13   72  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     98  125  125     16   81  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     98  125  125     16   87  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     98  125  125     26   95  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     98  125  125     30   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     98  125  125     36   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     98  125  125     31   95  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     98  125  125     35   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     98  125  125     29   82  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     98  125  125     40   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     98  125  125     48   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     98  125  125      9   83  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     98  125  125      9   68  110  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     98  125  125      5   57  110  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     98  125  125     41   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     98  125  125     30   90  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     98  125  125     40   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     98  125  125     51   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     98  125  125     35   87  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     98  125  125     47   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     98  125  125      9   82  110  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     98  125  125     51   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     98  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     98  125  125     49   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     98  125  125      3   18  100  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B      5  125  125      4    5    7   14   29  112  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      5  125  125     14   83  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      4    5    6    6    8   32  112  121  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    5    6   14   29   67  104  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      3   25   69  111  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      4  125  125      3    3   13   18   30   75  104  122  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      4  125  125      3    5    6   26   68  105  119  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125     48   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125     48   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125     47   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     30   95  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     21   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     49   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     15   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     54   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     49   96  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     45   91  111  117  119  120  121  123  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.08  (  64.24  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     54     96    111    117    119    120    121    123    124    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  43.20  76.80  88.80  93.60  95.20  96.00  96.80  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.60   0.76   0.86   0.95   0.98   1.09   1.34   1.40   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54
GDT RMS_ALL_AT   1.69   1.65   1.63   1.62   1.59   1.59   1.58   1.55   1.55   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54

# Checking swapping
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    61_B      D    61_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.529     0    0.665   1.171     8.777   88.810   49.947
LGA    L     6_B      L     6_B     0.753     0    0.044   0.891     2.131   88.214   82.917
LGA    V     7_B      V     7_B     0.714     0    0.113   0.855     2.200   90.476   83.129
LGA    E     8_B      E     8_B     1.029     0    0.032   0.441     1.574   83.690   83.492
LGA    S     9_B      S     9_B     0.767     0    0.056   0.509     1.959   92.857   89.127
LGA    G    10_B      G    10_B     0.526     0    0.666   0.666     3.148   82.738   82.738
LGA    G    11_B      G    11_B     1.089     0    0.135   0.135     1.367   85.952   85.952
LGA    G    12_B      G    12_B     0.840     0    0.024   0.024     0.990   90.476   90.476
LGA    L    13_B      L    13_B     1.022     0    0.131   1.103     3.689   81.548   73.690
LGA    V    14_B      V    14_B     0.846     0    0.038   0.057     0.911   90.476   90.476
LGA    Q    15_B      Q    15_B     0.974     0    0.053   0.290     1.578   90.476   85.503
LGA    A    16_B      A    16_B     0.920     0    0.061   0.064     1.117   88.214   88.667
LGA    G    17_B      G    17_B     0.642     0    0.073   0.073     0.695   90.476   90.476
LGA    G    18_B      G    18_B     0.276     0    0.110   0.110     0.682   97.619   97.619
LGA    S    19_B      S    19_B     0.435     0    0.036   0.065     0.650   95.238   93.651
LGA    L    20_B      L    20_B     0.320     0    0.033   1.105     2.367  100.000   88.810
LGA    G    21_B      G    21_B     0.534     0    0.074   0.074     0.534   95.238   95.238
LGA    L    22_B      L    22_B     0.283     0    0.057   0.102     0.406  100.000  100.000
LGA    S    23_B      S    23_B     0.198     0    0.031   0.742     1.879   97.619   92.302
LGA    C    24_B      C    24_B     0.490     0    0.036   0.092     0.591   95.238   95.238
LGA    A    25_B      A    25_B     0.580     0    0.062   0.093     0.641   95.238   94.286
LGA    A    26_B      A    26_B     1.012     0    0.040   0.041     1.210   83.690   83.238
LGA    S    27_B      S    27_B     1.286     0    0.099   0.178     2.265   79.524   74.603
LGA    G    28_B      G    28_B     1.269     0    0.529   0.529     3.766   70.000   70.000
LGA    R    29_B      R    29_B     2.778     0    0.467   1.059    12.055   66.905   28.918
LGA    T    30_B      T    30_B     0.417     0    0.098   0.879     2.712   88.452   79.524
LGA    F    31_B      F    31_B     1.241     0    0.178   1.457     5.883   81.548   60.303
LGA    S    32_B      S    32_B     1.957     0    0.156   0.144     2.966   77.143   70.476
LGA    N    33_B      N    33_B     1.420     0    0.361   1.109     4.003   81.548   67.798
LGA    Y    34_B      Y    34_B     1.335     0    0.120   1.312     8.483   75.119   48.849
LGA    V    35_B      V    35_B     0.548     0    0.053   0.948     2.190   95.238   87.007
LGA    M    36_B      M    36_B     0.721     0    0.032   1.268     2.976   92.857   81.071
LGA    A    37_B      A    37_B     0.476     0    0.034   0.038     0.687   97.619   96.190
LGA    W    38_B      W    38_B     0.324     0    0.051   0.143     0.611  100.000   99.320
LGA    F    39_B      F    39_B     0.617     0    0.041   0.093     0.634   90.476   90.476
LGA    R    40_B      R    40_B     0.467     0    0.022   0.094     0.905   92.857   92.208
LGA    Q    41_B      Q    41_B     0.494     0    0.028   0.386     1.364  100.000   93.704
LGA    A    42_B      A    42_B     0.322     0    0.049   0.048     0.467  100.000  100.000
LGA    P    43_B      P    43_B     0.508     0    0.113   0.186     1.315   90.595   87.959
LGA    G    44_B      G    44_B     1.270     0    0.141   0.141     1.270   88.214   88.214
LGA    K    45_B      K    45_B     0.192     0    0.056   0.772     2.107   92.857   87.778
LGA    E    46_B      E    46_B     1.420     0    0.095   0.882     2.218   85.952   82.804
LGA    R    47_B      R    47_B     1.067     0    0.095   1.360     4.952   81.429   68.095
LGA    E    48_B      E    48_B     1.015     0    0.034   0.558     2.568   88.214   76.190
LGA    F    49_B      F    49_B     0.367     0    0.078   0.129     1.323   90.595   90.606
LGA    V    50_B      V    50_B     0.720     0    0.097   1.011     3.515   92.857   81.293
LGA    A    51_B      A    51_B     0.847     0    0.014   0.031     1.005   90.476   88.667
LGA    R    52_B      R    52_B     0.631     0    0.084   0.783     3.079   95.238   75.498
LGA    I    53_B      I    53_B     0.363     0    0.032   0.634     1.539   97.619   90.714
LGA    S    54_B      S    54_B     0.576     0    0.196   0.497     1.626   88.452   86.190
LGA    E    55_B      E    55_B     1.954     0    0.177   1.509     8.745   71.071   42.540
LGA    S    56_B      S    56_B     1.616     0    0.167   0.660     3.440   79.286   73.333
LGA    R    57_B      R    57_B     1.384     0    0.239   1.464     6.006   72.976   61.169
LGA    G    58_B      G    58_B     1.351     0    0.124   0.124     1.432   81.429   81.429
LGA    T    59_B      T    59_B     1.344     0    0.034   0.839     2.952   83.690   78.027
LGA    T    60_B      T    60_B     0.836     0    0.038   1.252     3.217   81.548   77.007
LGA    D    61_B      D    61_B     1.245     0    0.020   0.735     3.158   88.214   76.667
LGA    Y    62_B      Y    62_B     0.995     0    0.022   0.567     4.729   83.690   69.405
LGA    A    63_B      A    63_B     1.078     0    0.035   0.039     1.112   88.214   86.857
LGA    D    64_B      D    64_B     0.848     0    0.040   1.110     2.947   90.595   82.976
LGA    S    65_B      S    65_B     1.156     0    0.125   0.577     2.516   81.548   77.460
LGA    V    66_B      V    66_B     0.900     0    0.073   0.214     1.497   85.952   89.252
LGA    K    67_B      K    67_B     0.899     0    0.036   1.210     3.975   90.476   73.333
LGA    G    68_B      G    68_B     0.952     0    0.056   0.056     0.963   90.476   90.476
LGA    R    69_B      R    69_B     0.665     0    0.030   0.947     3.115   92.857   84.372
LGA    F    70_B      F    70_B     0.492     0    0.012   0.257     1.154   95.238   92.294
LGA    T    71_B      T    71_B     0.678     0    0.143   1.196     3.097   88.214   80.884
LGA    I    72_B      I    72_B     0.430     0    0.022   1.000     2.201  100.000   87.798
LGA    S    73_B      S    73_B     0.707     0    0.086   0.611     2.071   90.476   86.190
LGA    R    74_B      R    74_B     1.494     0    0.056   0.349     2.293   77.143   72.944
LGA    D    75_B      D    75_B     1.849     0    0.064   0.822     3.283   75.000   73.274
LGA    N    76_B      N    76_B     2.080     0    0.212   0.400     4.882   68.810   56.310
LGA    A    77_B      A    77_B     0.802     0    0.007   0.029     1.244   85.952   86.857
LGA    K    78_B      K    78_B     1.238     0    0.120   0.848     3.206   85.952   76.138
LGA    N    79_B      N    79_B     1.026     0    0.062   0.937     3.579   83.690   71.786
LGA    T    80_B      T    80_B     0.665     0    0.039   0.364     1.326   90.476   90.544
LGA    I    81_B      I    81_B     0.594     0    0.037   1.301     3.102   92.857   78.274
LGA    Y    82_B      Y    82_B     0.491     0    0.027   0.148     1.304   97.619   90.595
LGA    L    83_B      L    83_B     0.599     0    0.047   0.194     1.207   92.857   90.536
LGA    Q    84_B      Q    84_B     0.561     0    0.038   0.178     1.121   95.238   91.640
LGA    M    85_B      M    85_B     0.247     0    0.104   0.787     2.133  100.000   92.083
LGA    N    86_B      N    86_B     0.180     0    0.040   0.338     0.745   97.619   96.429
LGA    S    87_B      S    87_B     0.770     0    0.030   0.095     1.078   90.595   90.556
LGA    L    88_B      L    88_B     0.852     0    0.102   0.240     1.013   88.214   89.345
LGA    N    89_B      N    89_B     1.528     0    0.063   1.335     5.412   79.286   63.690
LGA    P    90_B      P    90_B     1.213     0    0.698   0.639     2.312   79.524   76.667
LGA    G    91_B      G    91_B     1.647     0    0.180   0.180     2.266   75.119   75.119
LGA    D    92_B      D    92_B     0.816     0    0.092   0.124     1.172   92.857   89.405
LGA    T    93_B      T    93_B     0.641     0    0.056   0.153     0.834   90.476   90.476
LGA    A    94_B      A    94_B     0.461     0    0.020   0.035     0.529   97.619   96.190
LGA    V    95_B      V    95_B     0.256     0    0.064   0.894     2.437   97.619   88.571
LGA    Y    96_B      Y    96_B     0.286     0    0.031   0.084     0.431  100.000  100.000
LGA    S    97_B      S    97_B     0.586     0    0.040   0.716     3.079   92.857   85.317
LGA    C    98_B      C    98_B     0.447     0    0.046   0.745     3.080   97.619   90.079
LGA    A    99_B      A    99_B     0.585     0    0.055   0.059     0.609   90.476   90.476
LGA    A   100_B      A   100_B     0.674     0    0.036   0.057     0.761   90.476   90.476
LGA    T   101_B      T   101_B     0.486     0    0.174   1.160     3.491   95.238   86.122
LGA    L   102_B      L   102_B     2.360     0    0.643   0.947     5.203   56.190   48.452
LGA    P   103_B      P   103_B     4.876     0    0.652   0.571     7.601   42.024   29.524
LGA    A   104_B      A   104_B     1.260     0    0.185   0.184     2.097   77.143   74.667
LGA    W   105_B      W   105_B     4.752     0    0.144   1.465    10.942   34.762   18.503
LGA    T   106_B      T   106_B     5.842     0    0.557   0.990     8.984   26.310   18.776
LGA    G   107_B      G   107_B     3.486     0    0.620   0.620     4.566   37.500   37.500
LGA    I   108_B      I   108_B     7.430     0    0.111   0.663    11.376   12.619    6.488
LGA    I   109_B      I   109_B     6.247     0    0.606   0.989    10.888   25.952   14.107
LGA    G   110_B      G   110_B     0.562     0    0.663   0.663     1.973   90.833   90.833
LGA    G   111_B      G   111_B     0.302     0    0.066   0.066     0.452  100.000  100.000
LGA    R   112_B      R   112_B     0.539     0    0.084   1.274     8.887   95.238   58.398
LGA    R   113_B      R   113_B     0.557     0    0.081   1.168     4.285   90.476   72.424
LGA    P   114_B      P   114_B     0.669     0    0.029   0.159     0.903   90.476   90.476
LGA    G   115_B      G   115_B     1.503     0    0.087   0.087     1.529   77.143   77.143
LGA    N   116_B      N   116_B     1.443     0    0.182   1.386     5.690   85.952   67.262
LGA    Y   117_B      Y   117_B     0.792     0    0.058   0.143     1.055   88.214   92.897
LGA    P   118_B      P   118_B     1.350     0    0.045   0.383     1.793   81.429   78.980
LGA    Y   119_B      Y   119_B     0.661     0    0.086   0.463     2.344   90.476   83.214
LGA    W   120_B      W   120_B     0.635     0    0.035   0.189     1.183   90.476   89.184
LGA    G   121_B      G   121_B     0.520     0    0.051   0.051     0.676   90.476   90.476
LGA    Q   122_B      Q   122_B     0.639     0    0.080   1.255     4.893   88.214   69.630
LGA    G   123_B      G   123_B     0.575     0    0.098   0.098     0.601   90.476   90.476
LGA    T   124_B      T   124_B     0.488     0    0.041   0.960     2.589   97.619   87.279
LGA    Q   125_B      Q   125_B     0.327     0    0.021   0.167     0.960  100.000   94.709
LGA    V   126_B      V   126_B     0.385     0    0.080   0.183     1.091   97.619   95.986
LGA    T   127_B      T   127_B     0.628     0    0.036   0.942     2.469   90.476   83.129
LGA    V   128_B      V   128_B     1.081     0    0.079   0.090     1.553   83.690   82.789
LGA    S   129_B      S   129_B     1.341     0    0.120   0.129     2.535   71.190   69.127

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.540          1.510                  2.489           85.730   79.482

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    123    1.34    92.200    96.018     8.538

LGA_LOCAL      RMSD:   1.341  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.546  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.540  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.917003 * X  +  -0.156793 * Y  +   0.366771 * Z  + 113.875687
  Y_new =   0.234182 * X  +   0.955976 * Y  +  -0.176827 * Z  + -28.444262
  Z_new =  -0.322899 * X  +   0.248042 * Y  +   0.913352 * Z  + -52.604862 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.250033  0.328791  0.265178   [DEG:   14.3258   18.8384   15.1936 ]
ZXZ:  1.121556  0.419356 -0.915766   [DEG:   64.2604   24.0273  -52.4695 ]
 
# END of job
