
#######################################################
#                                                     #
#                        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  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.06     1.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.06     1.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    96      20_A - 115_A       0.98     1.06
  LCS_AVERAGE:     92.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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     G    13_A     G    13_A     92  103  103     17   58   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     92  103  103     18   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     92  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     92  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     92  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     92  103  103     10   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     92  103  103      2    3    4   19   27   50   89  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     96  103  103      3    4   52   94  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     96  103  103      3    4    8   46  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     96  103  103     51   85   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     96  103  103     54   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     96  103  103     54   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     96  103  103     54   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     96  103  103     12   70   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     96  103  103      4   46   86   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     96  103  103     22   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     96  103  103     58   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     96  103  103     13   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     96  103  103     18   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     96  103  103      7   28   49   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     96  103  103     18   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     96  103  103     60   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     96  103  103     12   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     96  103  103      8   85   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     96  103  103     55   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     96  103  103     62   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     96  103  103     52   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     96  103  103     47   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     96  103  103     58   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     96  103  103     51   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     96  103  103     56   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     96  103  103      3    3   94   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     96  103  103      3    3    4    6   48   58   92  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     96  103  103     14   71   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     96  103  103      3   71   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     96  103  103     17   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     96  103  103     51   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     96  103  103     66   86   96   99  101  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.65  (  92.94  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     66     86     96     99    101    101    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  64.08  83.50  93.20  96.12  98.06  98.06  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.47   0.63   0.72   0.82   0.82   0.82   0.97   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06
GDT RMS_ALL_AT   1.15   1.10   1.07   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  F   108_A      F   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.362     0    0.143   0.143     1.408   85.952   85.952
LGA    W    14_A      W    14_A     0.682     0    0.009   0.088     1.226   90.476   89.184
LGA    Q    15_A      Q    15_A     0.279     0    0.037   1.017     4.371  100.000   86.085
LGA    K    16_A      K    16_A     0.224     0    0.018   0.231     2.005  100.000   88.995
LGA    K    17_A      K    17_A     0.231     0    0.070   0.651     2.085   95.238   90.952
LGA    T    18_A      T    18_A     1.196     0    0.145   0.720     4.095   64.762   64.830
LGA    P    19_A      P    19_A     4.477     0    0.668   0.598     7.230   43.690   31.293
LGA    V    20_A      V    20_A     2.884     0    0.626   0.954     6.978   58.214   46.803
LGA    D    21_A      D    21_A     3.051     0    0.051   1.000     3.835   57.381   58.452
LGA    N    22_A      N    22_A     1.349     0    0.144   0.211     2.030   83.690   79.405
LGA    E    23_A      E    23_A     1.151     0    0.055   0.728     3.255   81.429   73.280
LGA    Q    24_A      Q    24_A     1.250     0    0.026   0.124     1.264   81.429   81.429
LGA    Y    25_A      Y    25_A     0.747     0    0.048   0.061     0.949   90.476   90.476
LGA    K    26_A      K    26_A     0.733     0    0.024   0.821     2.409   90.476   81.746
LGA    E    27_A      E    27_A     0.820     0    0.028   1.254     4.778   90.476   74.709
LGA    L    28_A      L    28_A     0.776     0    0.034   0.093     1.044   90.476   89.345
LGA    A    29_A      A    29_A     0.593     0    0.047   0.063     0.681   90.476   92.381
LGA    H    30_A      H    30_A     0.638     0    0.014   0.088     0.655   90.476   93.333
LGA    F    31_A      F    31_A     0.681     0    0.016   0.085     0.792   90.476   90.476
LGA    A    32_A      A    32_A     0.646     0    0.037   0.047     0.678   90.476   90.476
LGA    V    33_A      V    33_A     0.521     0    0.097   0.782     2.156   90.476   85.510
LGA    S    34_A      S    34_A     0.675     0    0.026   0.031     0.754   90.476   90.476
LGA    K    35_A      K    35_A     0.552     0    0.059   0.166     1.777   92.857   87.566
LGA    Q    36_A      Q    36_A     0.821     0    0.097   0.107     1.018   90.476   88.466
LGA    V    37_A      V    37_A     1.310     0    0.046   0.075     1.533   77.143   78.980
LGA    E    38_A      E    38_A     2.089     0    0.042   1.016     5.811   70.833   52.751
LGA    G    39_A      G    39_A     1.128     0    0.039   0.039     1.420   85.952   85.952
LGA    R    40_A      R    40_A     0.534     0    0.011   1.079     2.836   92.857   86.753
LGA    E    41_A      E    41_A     0.345     0    0.058   0.436     1.308  100.000   94.762
LGA    F    42_A      F    42_A     0.320     0    0.020   0.057     0.522  100.000   98.268
LGA    F    43_A      F    43_A     0.362     0    0.027   0.108     0.458  100.000  100.000
LGA    D    44_A      D    44_A     0.119     0    0.039   0.134     0.494  100.000  100.000
LGA    T    45_A      T    45_A     0.111     0    0.056   0.089     0.321  100.000  100.000
LGA    V    46_A      V    46_A     0.232     0    0.018   0.074     0.515  100.000   98.639
LGA    L    47_A      L    47_A     0.322     0    0.021   0.035     0.542   97.619   98.810
LGA    E    48_A      E    48_A     0.437     0    0.035   0.160     0.748  100.000   95.767
LGA    V    49_A      V    49_A     0.521     0    0.028   0.052     0.739   92.857   91.837
LGA    T    50_A      T    50_A     0.298     0    0.016   0.082     0.476  100.000  100.000
LGA    D    51_A      D    51_A     0.224     0    0.018   0.935     4.252  100.000   84.345
LGA    V    52_A      V    52_A     0.291     0    0.041   0.068     0.580  100.000   98.639
LGA    E    53_A      E    53_A     0.401     0    0.046   0.905     4.044  100.000   84.127
LGA    T    54_A      T    54_A     0.136     0    0.070   0.107     0.396  100.000  100.000
LGA    Q    55_A      Q    55_A     0.266     0    0.049   0.425     1.946  100.000   95.926
LGA    V    56_A      V    56_A     0.819     0    0.026   0.058     1.283   92.857   87.959
LGA    V    57_A      V    57_A     0.986     0    0.311   1.134     4.482   70.714   69.932
LGA    A    58_A      A    58_A     2.161     0    0.051   0.062     2.996   70.952   68.190
LGA    G    59_A      G    59_A     0.900     0    0.023   0.023     1.401   85.952   85.952
LGA    T    60_A      T    60_A     0.524     0    0.050   0.081     1.003   92.857   90.544
LGA    N    61_A      N    61_A     0.805     0    0.060   0.511     2.295   90.476   86.131
LGA    Y    62_A      Y    62_A     0.645     0    0.015   0.079     0.958   90.476   90.476
LGA    R    63_A      R    63_A     0.509     0    0.012   0.644     1.811   95.238   87.532
LGA    I    64_A      I    64_A     0.428     0    0.021   0.079     0.778  100.000   95.238
LGA    T    65_A      T    65_A     0.248     0    0.029   0.056     0.354  100.000  100.000
LGA    F    66_A      F    66_A     0.335     0    0.031   0.118     0.740  100.000   97.403
LGA    K    67_A      K    67_A     0.192     0    0.026   0.112     0.705  100.000   96.825
LGA    I    68_A      I    68_A     0.137     0    0.023   0.051     0.207  100.000  100.000
LGA    A    69_A      A    69_A     0.175     0    0.027   0.044     0.196  100.000  100.000
LGA    E    70_A      E    70_A     0.194     0    0.000   0.333     0.911  100.000   97.884
LGA    S    71_A      S    71_A     0.242     0    0.016   0.047     0.367  100.000  100.000
LGA    T    72_A      T    72_A     0.385     0    0.019   0.044     0.474  100.000  100.000
LGA    C    73_A      C    73_A     0.391     0    0.025   0.072     0.547  100.000   98.413
LGA    R    74_A      R    74_A     0.276     0    0.028   0.821     3.046  100.000   92.857
LGA    V    75_A      V    75_A     0.272     0    0.036   0.038     0.354  100.000  100.000
LGA    T    76_A      T    76_A     0.310     0    0.071   0.152     1.004  100.000   95.986
LGA    E    77_A      E    77_A     0.374     0    0.047   0.191     0.932  100.000   96.825
LGA    T    78_A      T    78_A     0.485     0    0.044   0.061     0.694   97.619   95.918
LGA    Y    79_A      Y    79_A     0.304     0    0.040   0.130     0.611  100.000   96.032
LGA    S    80_A      S    80_A     0.180     0    0.011   0.240     0.596  100.000   98.413
LGA    K    81_A      K    81_A     0.735     0    0.028   0.705     3.842   90.476   75.079
LGA    E    82_A      E    82_A     1.016     0    0.081   1.361     5.353   85.952   68.836
LGA    T    83_A      T    83_A     0.652     0    0.066   0.071     0.851   90.476   90.476
LGA    C    84_A      C    84_A     0.281     0    0.087   0.096     0.637  100.000   98.413
LGA    L    85_A      L    85_A     0.371     0    0.041   0.096     0.852   97.619   95.238
LGA    P    86_A      P    86_A     0.212     0    0.036   0.272     0.558  100.000   98.639
LGA    K    87_A      K    87_A     0.256     0    0.029   0.067     0.521  100.000   98.942
LGA    T    88_A      T    88_A     0.392     0    0.026   0.041     0.495  100.000  100.000
LGA    R    89_A      R    89_A     0.722     6    0.021   0.022     0.857   90.476   41.126
LGA    D    90_A      D    90_A     0.881     0    0.021   0.253     2.018   92.857   82.917
LGA    V    91_A      V    91_A     0.433     0    0.015   0.030     0.595   97.619   97.279
LGA    K    92_A      K    92_A     0.319     0    0.037   0.150     1.438  100.000   94.762
LGA    S    93_A      S    93_A     0.213     0    0.065   0.640     1.718  100.000   93.889
LGA    T    94_A      T    94_A     0.034     0    0.044   0.060     0.133  100.000  100.000
LGA    C    95_A      C    95_A     0.108     0    0.029   0.038     0.176  100.000  100.000
LGA    T    96_A      T    96_A     0.297     0    0.009   0.048     0.401  100.000  100.000
LGA    A    97_A      A    97_A     0.369     0    0.017   0.031     0.587   95.238   96.190
LGA    V    98_A      V    98_A     0.969     0    0.018   0.032     1.295   90.476   86.599
LGA    I    99_A      I    99_A     1.020     0    0.020   0.449     1.373   85.952   84.821
LGA    T   100_A      T   100_A     0.482     0    0.022   0.059     0.683   97.619   94.558
LGA    E   101_A      E   101_A     0.462     0    0.027   0.498     1.441   95.238   91.640
LGA    P   102_A      P   102_A     0.598     0    0.028   0.188     0.740   95.238   95.918
LGA    L   103_A      L   103_A     0.497     0    0.158   1.384     2.973   97.619   83.512
LGA    N   104_A      N   104_A     1.613     0    0.218   1.256     6.034   60.357   45.179
LGA    N   105_A      N   105_A     5.122     0    0.695   0.547    10.513   39.048   20.595
LGA    E   106_A      E   106_A     1.371     0    0.103   0.585     4.445   73.214   62.328
LGA    R   107_A      R   107_A     1.219     0    0.123   1.162     4.381   83.690   74.459
LGA    F   108_A      F   108_A     1.175     0    0.134   1.255     4.850   85.952   70.433
LGA    V   109_A      V   109_A     0.806     0    0.035   0.060     0.911   90.476   93.197
LGA    H   110_A      H   110_A     1.238     0    0.085   1.221     5.014   81.429   66.571
LGA    S   111_A      S   111_A     0.872     0    0.032   0.036     0.974   90.476   90.476
LGA    F   112_A      F   112_A     0.469     0    0.051   0.131     0.745   92.857   93.939
LGA    T   113_A      T   113_A     0.361     0    0.108   1.055     2.446   97.619   88.571
LGA    C   114_A      C   114_A     0.283     0    0.087   0.092     0.659   97.619   98.413
LGA    G   115_A      G   115_A     0.296     0    0.665   0.665     3.252   82.857   82.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     1.060          1.077                  1.585           91.390   87.005

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.97    94.660    97.509     9.540

LGA_LOCAL      RMSD:   0.969  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.061  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.060  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.167064 * X  +  -0.142941 * Y  +  -0.975529 * Z  + -28.529446
  Y_new =   0.620145 * X  +   0.784438 * Y  +  -0.008738 * Z  +  28.530087
  Z_new =   0.766492 * X  +  -0.603510 * Y  +   0.219695 * Z  +   2.319849 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.307649 -0.873360 -1.221679   [DEG:   74.9228  -50.0399  -69.9970 ]
ZXZ: -1.561839  1.349294  2.237787   [DEG:  -89.4868   77.3089  128.2157 ]
 
# END of job
