
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       1.18     1.18
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       1.18     1.18
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65       2_B - 66_B        0.94     1.24
  LCS_AVERAGE:     49.59

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B     65  116  116      4   10   79  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     3_C     K     3_B     65  116  116     10   86  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     4_C     S     4_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     5_C     K     5_B     65  116  116     40   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     M     6_C     M     6_B     65  116  116     42   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L     7_C     L     7_B     65  116  116     36   84  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     8_C     S     8_B     65  116  116     30   84  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N     9_C     N     9_B     65  116  116     40   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    10_C     I    10_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    11_C     V    11_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    12_C     I    12_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    13_C     Q    13_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    14_C     E    14_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    15_C     V    15_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K    16_C     K    16_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    17_C     F    17_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    18_C     A    18_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    19_C     I    19_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    20_C     E    20_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    21_C     D    21_B     65  116  116     51   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    22_C     Y    22_B     65  116  116     51   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    23_C     C    23_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    24_C     A    24_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    25_C     I    25_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    26_C     L    26_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    27_C     S    27_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    28_C     F    28_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    29_C     A    29_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    30_C     S    30_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    31_C     D    31_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    32_C     S    32_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    33_C     Y    33_B     65  116  116     36   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    34_C     E    34_B     65  116  116     14   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    35_C     V    35_B     65  116  116     14   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    36_C     P    36_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    37_C     E    37_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    38_C     Q    38_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    39_C     Y    39_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    40_C     F    40_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    41_C     I    41_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    42_C     I    42_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    43_C     T    43_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    44_C     R    44_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    45_C     S    45_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    46_C     T    46_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    47_C     T    47_B     65  116  116     50   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    48_C     E    48_B     65  116  116     50   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    49_C     R    49_B     65  116  116     51   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    50_C     S    50_B     65  116  116     33   88  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    51_C     G    51_B     65  116  116     51   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    52_C     G    52_B     65  116  116     49   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    53_C     I    53_B     65  116  116     39   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    54_C     P    54_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    55_C     E    55_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    56_C     G    56_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    57_C     D    57_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    58_C     I    58_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    59_C     Y    59_B     65  116  116     55   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    60_C     L    60_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    61_C     E    61_B     65  116  116     52   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    62_C     S    62_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    63_C     N    63_B     65  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    64_C     L    64_B     65  116  116     36   88  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    65_C     F    65_B     65  116  116      3    4   20   83  102  111  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    66_C     L    66_B     65  116  116      4   18   36   52  100  108  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B     60  116  116      4   23   72  102  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    68_C     F    68_B     48  116  116      6   19   74  104  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    69_C     N    69_B     48  116  116      6   65  101  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    70_C     P    70_B     48  116  116     42   87  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    71_C     Y    71_B     48  116  116     51   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    72_C     G    72_B     48  116  116     27   79  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    73_C     L    73_B     48  116  116     27   79  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    74_C     S    74_B     48  116  116     27   82  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    75_C     G    75_B     48  116  116     42   87  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    76_C     Y    76_B     48  116  116     42   88  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    77_C     L    77_B     48  116  116     50   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    78_C     L    78_B     48  116  116     51   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    79_C     S    79_B     48  116  116      6   27  101  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    80_C     E    80_B     48  116  116      2   61  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    81_C     P    81_B     48  116  116      4    7   10   62   98  111  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    82_C     N    82_B     48  116  116     30   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    83_C     C    83_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    84_C     V    84_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    85_C     D    85_B     48  116  116     54   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    86_C     L    86_B     48  116  116     46   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    87_C     L    87_B     48  116  116     46   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    88_C     I    88_B     48  116  116     27   78  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    89_C     E    89_B     48  116  116     27   79  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    90_C     P    90_B     48  116  116     32   86  100  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    91_C     N    91_B     48  116  116     27   86  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    92_C     N    92_B     48  116  116     40   88  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    93_C     Y    93_B     48  116  116     43   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    94_C     V    94_B     48  116  116     40   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    95_C     R    95_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    96_C     L    96_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    97_C     R    97_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    98_C     L    98_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    99_C     I    99_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   100_C     E   100_B     48  116  116     40   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   101_C     K   101_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   102_C     I   102_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   103_C     D   103_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   104_C     I   104_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   105_C     L   105_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   106_C     E   106_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V   107_C     V   107_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   108_C     E   108_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   109_C     N   109_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     H   110_C     H   110_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   111_C     L   111_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   112_C     K   112_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   113_C     F   113_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   114_C     L   114_B     48  116  116     58   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   115_C     F   115_B     48  116  116     45   89  104  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   116_C     D   116_B     48  116  116      3   31   71  108  110  112  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   117_C     N   117_B     36  116  116      3    4    4   11  105  111  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A:  83.20  (  49.59  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     58     89    104    108    110    112    114    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  50.00  76.72  89.66  93.10  94.83  96.55  98.28 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.53   0.72   0.79   0.85   0.95   1.05   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18
GDT RMS_ALL_AT   1.27   1.21   1.19   1.19   1.19   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18   1.18

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B     2.499     0    0.045   0.133     3.605   66.905   60.748
LGA    K     3_C      K     3_B     1.333     0    0.094   0.577     2.383   83.810   77.831
LGA    S     4_C      S     4_B     0.394     0    0.012   0.065     1.054   90.595   92.143
LGA    K     5_C      K     5_B     1.198     0    0.014   1.037     3.947   85.952   71.058
LGA    M     6_C      M     6_B     1.064     0    0.025   0.787     2.384   81.429   79.345
LGA    L     7_C      L     7_B     1.339     0    0.079   0.106     1.916   79.286   80.357
LGA    S     8_C      S     8_B     1.376     0    0.041   0.143     1.862   81.429   78.571
LGA    N     9_C      N     9_B     1.056     0    0.079   0.163     1.663   85.952   83.750
LGA    I    10_C      I    10_B     0.708     0    0.043   0.719     2.799   90.476   84.107
LGA    V    11_C      V    11_B     0.578     0    0.050   0.053     0.661   92.857   91.837
LGA    I    12_C      I    12_B     0.266     0    0.008   0.107     0.780  100.000   97.619
LGA    Q    13_C      Q    13_B     0.312     0    0.038   0.947     2.721   97.619   92.116
LGA    E    14_C      E    14_B     0.398     0    0.030   0.573     1.855  100.000   89.735
LGA    V    15_C      V    15_B     0.399     0    0.038   0.080     0.787   95.238   97.279
LGA    K    16_C      K    16_B     0.288     0    0.084   0.606     2.343   97.619   92.910
LGA    F    17_C      F    17_B     0.103     0    0.022   0.074     0.405  100.000  100.000
LGA    A    18_C      A    18_B     0.300     0    0.020   0.033     0.537  100.000   98.095
LGA    I    19_C      I    19_B     0.300     0    0.013   0.068     0.545   97.619   97.619
LGA    E    20_C      E    20_B     0.426     0    0.075   0.146     1.754  100.000   89.788
LGA    D    21_C      D    21_B     0.649     0    0.034   0.275     1.498   92.857   88.274
LGA    Y    22_C      Y    22_B     0.618     0    0.061   0.108     0.897   90.476   90.476
LGA    C    23_C      C    23_B     0.257     0    0.005   0.029     0.315  100.000  100.000
LGA    A    24_C      A    24_B     0.157     0    0.033   0.034     0.494  100.000  100.000
LGA    I    25_C      I    25_B     0.237     0    0.014   0.071     0.871  100.000   98.810
LGA    L    26_C      L    26_B     0.112     0    0.032   0.133     0.545  100.000   98.810
LGA    S    27_C      S    27_B     0.110     0    0.038   0.092     0.431  100.000  100.000
LGA    F    28_C      F    28_B     0.206     0    0.083   0.104     0.622  100.000   97.403
LGA    A    29_C      A    29_B     0.515     0    0.026   0.036     0.562   97.619   96.190
LGA    S    30_C      S    30_B     0.555     0    0.018   0.029     0.626   90.476   93.651
LGA    D    31_C      D    31_B     0.536     0    0.009   0.140     0.771   90.476   90.476
LGA    S    32_C      S    32_B     0.804     0    0.047   0.629     2.830   88.214   83.413
LGA    Y    33_C      Y    33_B     1.257     0    0.044   0.320     2.750   83.690   72.500
LGA    E    34_C      E    34_B     1.240     0    0.032   0.226     1.551   81.429   81.481
LGA    V    35_C      V    35_B     1.254     0    0.091   0.100     2.116   85.952   79.184
LGA    P    36_C      P    36_B     0.717     0    0.014   0.069     1.092   90.476   89.184
LGA    E    37_C      E    37_B     0.613     0    0.019   0.747     3.092   90.476   74.868
LGA    Q    38_C      Q    38_B     0.519     0    0.029   0.227     1.157   95.238   92.646
LGA    Y    39_C      Y    39_B     0.281     0    0.017   0.083     0.734  100.000   96.825
LGA    F    40_C      F    40_B     0.317     0    0.042   0.088     0.965  100.000   93.939
LGA    I    41_C      I    41_B     0.236     0    0.055   0.101     0.385  100.000  100.000
LGA    I    42_C      I    42_B     0.097     0    0.051   0.110     0.403  100.000  100.000
LGA    T    43_C      T    43_B     0.126     0    0.015   0.154     0.605  100.000   98.639
LGA    R    44_C      R    44_B     0.244     0    0.029   0.194     1.002  100.000   95.714
LGA    S    45_C      S    45_B     0.275     0    0.051   0.113     0.460  100.000  100.000
LGA    T    46_C      T    46_B     0.402     0    0.037   0.078     0.529   97.619   98.639
LGA    T    47_C      T    47_B     0.731     0    0.015   0.055     0.942   90.476   90.476
LGA    E    48_C      E    48_B     0.647     0    0.042   0.198     1.281   90.476   87.460
LGA    R    49_C      R    49_B     0.653     0    0.068   0.296     1.292   90.476   87.186
LGA    S    50_C      S    50_B     0.986     0    0.079   0.527     2.901   88.214   81.905
LGA    G    51_C      G    51_B     0.555     0    0.061   0.061     0.665   90.476   90.476
LGA    G    52_C      G    52_B     0.850     0    0.021   0.021     0.905   90.476   90.476
LGA    I    53_C      I    53_B     0.959     0    0.064   0.183     2.343   88.214   81.667
LGA    P    54_C      P    54_B     0.259     0    0.044   0.206     0.807  100.000   97.279
LGA    E    55_C      E    55_B     0.362     0    0.065   0.558     1.343  100.000   93.704
LGA    G    56_C      G    56_B     0.199     0    0.018   0.018     0.277  100.000  100.000
LGA    D    57_C      D    57_B     0.240     0    0.048   0.232     0.604   97.619   96.429
LGA    I    58_C      I    58_B     0.302     0    0.077   1.031     2.285  100.000   86.607
LGA    Y    59_C      Y    59_B     0.356     0    0.022   1.273     7.275  100.000   65.833
LGA    L    60_C      L    60_B     0.223     0    0.068   0.076     0.507  100.000   98.810
LGA    E    61_C      E    61_B     0.390     0    0.034   0.332     2.342   97.619   86.878
LGA    S    62_C      S    62_B     0.599     0    0.046   0.074     1.061   90.595   90.556
LGA    N    63_C      N    63_B     1.010     0    0.105   0.142     1.427   83.690   87.083
LGA    L    64_C      L    64_B     1.435     0    0.665   0.752     2.887   73.214   77.381
LGA    F    65_C      F    65_B     3.224     0    0.024   1.257    12.277   45.833   19.264
LGA    L    66_C      L    66_B     4.622     0    0.653   1.363     9.671   41.190   23.810
LGA    D    67_C      D    67_B     3.303     0    0.546   1.319     7.413   45.119   37.500
LGA    F    68_C      F    68_B     2.979     0    0.160   1.136     3.522   57.143   64.069
LGA    N    69_C      N    69_B     2.058     0    0.035   0.092     2.437   70.952   70.952
LGA    P    70_C      P    70_B     1.005     0    0.014   0.228     1.652   88.333   82.925
LGA    Y    71_C      Y    71_B     0.634     0    0.029   0.186     1.988   85.952   83.056
LGA    G    72_C      G    72_B     1.675     0    0.035   0.035     1.968   75.000   75.000
LGA    L    73_C      L    73_B     1.505     0    0.050   1.318     2.775   77.143   75.417
LGA    S    74_C      S    74_B     1.508     0    0.036   0.044     1.662   79.286   78.571
LGA    G    75_C      G    75_B     1.119     0    0.077   0.077     1.203   83.690   83.690
LGA    Y    76_C      Y    76_B     0.811     0    0.014   0.167     1.265   88.214   85.952
LGA    L    77_C      L    77_B     0.566     0    0.054   1.371     2.796   95.238   83.393
LGA    L    78_C      L    78_B     0.599     0    0.171   0.941     2.563   88.214   82.976
LGA    S    79_C      S    79_B     1.810     0    0.653   0.748     4.242   64.048   69.921
LGA    E    80_C      E    80_B     1.630     0    0.041   1.032     7.635   55.476   41.534
LGA    P    81_C      P    81_B     3.769     0    0.071   0.415     6.567   52.500   39.456
LGA    N    82_C      N    82_B     0.860     0    0.131   0.687     2.784   90.833   86.548
LGA    C    83_C      C    83_B     0.420     0    0.034   0.092     1.132  100.000   95.317
LGA    V    84_C      V    84_B     0.304     0    0.031   0.075     0.306  100.000  100.000
LGA    D    85_C      D    85_B     0.440     0    0.027   0.096     0.690   95.238   96.429
LGA    L    86_C      L    86_B     0.655     0    0.021   0.049     0.771   90.476   90.476
LGA    L    87_C      L    87_B     0.721     0    0.076   0.142     1.081   88.214   89.345
LGA    I    88_C      I    88_B     1.516     0    0.058   0.257     2.419   75.000   75.060
LGA    E    89_C      E    89_B     1.690     0    0.078   0.914     9.812   63.929   35.132
LGA    P    90_C      P    90_B     1.856     0    0.620   0.761     3.913   65.476   63.061
LGA    N    91_C      N    91_B     1.203     0    0.066   0.830     3.483   83.690   73.512
LGA    N    92_C      N    92_B     0.972     0    0.024   0.130     1.665   88.214   82.679
LGA    Y    93_C      Y    93_B     0.671     0    0.039   0.111     0.941   90.476   93.651
LGA    V    94_C      V    94_B     0.823     0    0.020   0.103     1.409   90.476   86.599
LGA    R    95_C      R    95_B     0.607     0    0.039   0.156     1.401   90.476   89.654
LGA    L    96_C      L    96_B     0.506     0    0.030   0.169     0.719   92.857   91.667
LGA    R    97_C      R    97_B     0.497     0    0.022   0.941     5.546   97.619   73.290
LGA    L    98_C      L    98_B     0.357     0    0.032   0.069     0.499  100.000  100.000
LGA    I    99_C      I    99_B     0.463     0    0.035   0.392     1.477   95.238   94.107
LGA    E   100_C      E   100_B     0.753     0    0.053   0.601     1.554   88.214   85.503
LGA    K   101_C      K   101_B     0.721     0    0.125   0.834     3.725   86.071   73.968
LGA    I   102_C      I   102_B     0.504     0    0.020   0.060     0.555   90.476   95.238
LGA    D   103_C      D   103_B     0.620     0    0.031   0.108     0.702   95.238   92.857
LGA    I   104_C      I   104_B     0.383     0    0.021   0.636     1.483   97.619   90.655
LGA    L   105_C      L   105_B     0.873     0    0.032   0.101     1.831   90.476   83.810
LGA    E   106_C      E   106_B     0.694     0    0.068   0.450     2.439   95.238   89.788
LGA    V   107_C      V   107_B     0.099     0    0.021   0.032     0.330  100.000  100.000
LGA    E   108_C      E   108_B     0.296     0    0.044   0.199     1.281  100.000   94.762
LGA    N   109_C      N   109_B     0.437     0    0.025   0.087     0.880  100.000   95.238
LGA    H   110_C      H   110_B     0.358     0    0.035   0.121     0.580  100.000   98.095
LGA    L   111_C      L   111_B     0.409     0    0.052   0.054     0.450  100.000  100.000
LGA    K   112_C      K   112_B     0.345     0    0.063   0.572     2.017   97.619   90.952
LGA    F   113_C      F   113_B     0.370     0    0.033   0.105     0.775  100.000   95.671
LGA    L   114_C      L   114_B     0.398     0    0.035   0.061     0.717   95.238   97.619
LGA    F   115_C      F   115_B     0.821     0    0.207   0.190     1.256   85.952   84.719
LGA    D   116_C      D   116_B     2.310     0    0.629   0.759     7.514   61.429   41.845
LGA    N   117_C      N   117_B     3.618     0    0.262   1.060     8.348   51.905   37.083

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     1.177          1.232                  1.925           88.796   84.638

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    1.18    92.457    96.257     9.084

LGA_LOCAL      RMSD:   1.177  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.177  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   1.177  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.385463 * X  +   0.873820 * Y  +  -0.296407 * Z  + -21.558054
  Y_new =  -0.877553 * X  +  -0.247888 * Y  +   0.410430 * Z  + -14.821703
  Z_new =   0.285166 * X  +   0.418318 * Y  +   0.862375 * Z  +  -3.807507 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.984672 -0.289180  0.451638   [DEG: -113.7133  -16.5688   25.8769 ]
ZXZ: -2.516132  0.530855  0.598337   [DEG: -144.1637   30.4157   34.2822 ]
 
# END of job
