
#######################################################
#                                                     #
#                        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       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       0.96     1.11
  LCS_AVERAGE:     92.01

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     32   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     92  103  103     58   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     92  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     92  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     92  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     92  103  103     12   51   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     92  103  103      3    3    3   18   26   66   75  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     92  103  103      3    3   15   24   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     95  103  103      4    4    4    7   23   95   99  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     95  103  103      4   70   95   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103     31   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103      9   53   95   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103     11   82   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     61   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103     28   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     19   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103      4   12   70   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     19   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     55   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     95  103  103     44   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103     20   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     31   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     61   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     55   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     62   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     50   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     55   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      3    7   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     95  103  103      3    3    4    6   10   46   99  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103      3   82   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     95  103  103      6   82   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     95  103  103     14   88   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     61   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     55   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     95  103  103     63   89   96   98   99  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.34  (  92.01  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     63     89     96     98     99    100    100    101    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  61.17  86.41  93.20  95.15  96.12  97.09  97.09  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
GDT RMS_LOCAL    0.29   0.50   0.60   0.66   0.69   0.77   0.77   0.88   0.98   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10
GDT RMS_ALL_AT   1.20   1.12   1.11   1.11   1.10   1.10   1.10   1.11   1.11   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  F    42_A      F    42_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     0.998     0    0.067   0.067     0.998   90.476   90.476
LGA    W    14_A      W    14_A     0.502     0    0.014   0.110     0.984   92.857   91.156
LGA    Q    15_A      Q    15_A     0.266     0    0.025   1.062     2.668  100.000   91.164
LGA    K    16_A      K    16_A     0.208     0    0.016   0.326     1.629   97.619   91.746
LGA    K    17_A      K    17_A     0.446     0    0.090   0.605     1.742   95.238   90.794
LGA    T    18_A      T    18_A     1.544     0    0.131   0.158     4.245   60.357   59.184
LGA    P    19_A      P    19_A     4.526     0    0.652   0.613     7.035   42.262   30.476
LGA    V    20_A      V    20_A     3.387     0    0.141   1.157     7.590   51.071   40.136
LGA    D    21_A      D    21_A     4.316     0    0.116   0.908     5.837   42.262   36.429
LGA    N    22_A      N    22_A     1.798     0    0.078   0.125     2.437   77.143   73.988
LGA    E    23_A      E    23_A     0.797     0    0.028   0.781     3.783   88.214   76.561
LGA    Q    24_A      Q    24_A     0.966     0    0.020   0.436     2.165   90.476   83.598
LGA    Y    25_A      Y    25_A     0.637     0    0.064   0.118     0.849   90.476   90.476
LGA    K    26_A      K    26_A     0.616     0    0.028   0.674     2.525   92.857   83.915
LGA    E    27_A      E    27_A     0.614     0    0.022   1.378     5.749   90.476   71.111
LGA    L    28_A      L    28_A     0.640     0    0.025   0.101     1.050   90.476   89.345
LGA    A    29_A      A    29_A     0.489     0    0.027   0.034     0.553   92.857   94.286
LGA    H    30_A      H    30_A     0.577     0    0.034   0.065     0.589   90.476   95.238
LGA    F    31_A      F    31_A     0.572     0    0.019   0.061     0.708   90.476   92.208
LGA    A    32_A      A    32_A     0.596     0    0.022   0.027     0.598   90.476   90.476
LGA    V    33_A      V    33_A     0.480     0    0.056   0.782     2.128   92.857   86.871
LGA    S    34_A      S    34_A     0.573     0    0.035   0.047     0.695   92.857   92.063
LGA    K    35_A      K    35_A     0.338     0    0.061   0.247     1.852  100.000   92.804
LGA    Q    36_A      Q    36_A     0.425     0    0.103   0.166     1.309  100.000   91.693
LGA    V    37_A      V    37_A     0.942     0    0.028   0.051     1.418   85.952   84.014
LGA    E    38_A      E    38_A     1.954     0    0.016   1.024     5.541   75.000   55.238
LGA    G    39_A      G    39_A     1.411     0    0.045   0.045     1.597   83.810   83.810
LGA    R    40_A      R    40_A     0.630     0    0.018   1.105     3.699   90.476   84.589
LGA    E    41_A      E    41_A     0.425     0    0.057   0.688     1.667  100.000   90.794
LGA    F    42_A      F    42_A     0.460     0    0.028   0.058     0.631  100.000   96.537
LGA    F    43_A      F    43_A     0.623     0    0.010   0.152     0.720   95.238   92.208
LGA    D    44_A      D    44_A     0.176     0    0.044   0.071     0.555  100.000   98.810
LGA    T    45_A      T    45_A     0.199     0    0.051   0.121     0.472  100.000  100.000
LGA    V    46_A      V    46_A     0.278     0    0.024   0.077     0.494  100.000  100.000
LGA    L    47_A      L    47_A     0.213     0    0.039   0.051     0.462  100.000  100.000
LGA    E    48_A      E    48_A     0.426     0    0.043   0.666     1.670  100.000   90.741
LGA    V    49_A      V    49_A     0.327     0    0.039   0.057     0.568  100.000   98.639
LGA    T    50_A      T    50_A     0.330     0    0.018   0.097     0.541  100.000   98.639
LGA    D    51_A      D    51_A     0.325     0    0.021   0.909     4.108  100.000   83.333
LGA    V    52_A      V    52_A     0.154     0    0.016   0.028     0.303  100.000  100.000
LGA    E    53_A      E    53_A     0.165     0    0.044   0.935     3.772  100.000   88.624
LGA    T    54_A      T    54_A     0.132     0    0.012   0.058     0.398  100.000  100.000
LGA    Q    55_A      Q    55_A     0.222     0    0.055   0.487     1.752  100.000   95.926
LGA    V    56_A      V    56_A     0.925     0    0.022   0.062     1.288   90.476   86.599
LGA    V    57_A      V    57_A     1.128     0    0.317   1.097     4.462   66.190   67.347
LGA    A    58_A      A    58_A     2.270     0    0.055   0.054     3.088   70.952   66.762
LGA    G    59_A      G    59_A     0.943     0    0.071   0.071     1.352   85.952   85.952
LGA    T    60_A      T    60_A     0.509     0    0.026   0.056     0.887   92.857   91.837
LGA    N    61_A      N    61_A     0.697     0    0.066   0.447     2.112   95.238   90.833
LGA    Y    62_A      Y    62_A     0.555     0    0.033   0.116     0.798   90.476   92.857
LGA    R    63_A      R    63_A     0.357     0    0.070   0.897     3.512  100.000   83.680
LGA    I    64_A      I    64_A     0.425     0    0.020   0.044     0.613  100.000   97.619
LGA    T    65_A      T    65_A     0.222     0    0.054   0.067     0.295  100.000  100.000
LGA    F    66_A      F    66_A     0.312     0    0.036   0.084     0.469  100.000  100.000
LGA    K    67_A      K    67_A     0.259     0    0.020   0.172     0.708  100.000   98.942
LGA    I    68_A      I    68_A     0.207     0    0.030   0.050     0.232  100.000  100.000
LGA    A    69_A      A    69_A     0.107     0    0.035   0.051     0.252  100.000  100.000
LGA    E    70_A      E    70_A     0.179     0    0.010   0.481     1.465  100.000   96.878
LGA    S    71_A      S    71_A     0.324     0    0.024   0.105     0.497  100.000  100.000
LGA    T    72_A      T    72_A     0.585     0    0.050   0.061     0.874   92.857   91.837
LGA    C    73_A      C    73_A     0.595     0    0.024   0.119     1.129   90.476   88.968
LGA    R    74_A      R    74_A     0.482     0    0.016   0.751     2.997  100.000   90.952
LGA    V    75_A      V    75_A     0.483     0    0.042   0.062     0.679   95.238   93.197
LGA    T    76_A      T    76_A     0.542     0    0.100   0.170     1.363   95.238   91.905
LGA    E    77_A      E    77_A     0.371     0    0.068   0.166     0.992  100.000   94.709
LGA    T    78_A      T    78_A     0.412     0    0.015   0.063     0.583  100.000   98.639
LGA    Y    79_A      Y    79_A     0.386     0    0.017   0.141     0.532  100.000   98.413
LGA    S    80_A      S    80_A     0.294     0    0.068   0.077     0.349  100.000  100.000
LGA    K    81_A      K    81_A     0.699     0    0.012   0.677     4.191   92.857   72.963
LGA    E    82_A      E    82_A     0.922     0    0.079   1.027     4.194   88.214   76.720
LGA    T    83_A      T    83_A     0.792     0    0.035   0.044     1.006   90.476   89.184
LGA    C    84_A      C    84_A     0.404     0    0.032   0.077     0.634  100.000   98.413
LGA    L    85_A      L    85_A     0.537     0    0.022   0.100     1.385   95.238   89.464
LGA    P    86_A      P    86_A     0.257     0    0.036   0.247     0.578  100.000   98.639
LGA    K    87_A      K    87_A     0.360     0    0.023   0.097     0.644   97.619   96.825
LGA    T    88_A      T    88_A     0.358     0    0.032   0.076     0.375  100.000  100.000
LGA    R    89_A      R    89_A     0.359     6    0.007   0.012     0.368  100.000   45.455
LGA    D    90_A      D    90_A     0.486     0    0.017   0.407     1.905  100.000   90.774
LGA    V    91_A      V    91_A     0.194     0    0.039   0.052     0.340  100.000  100.000
LGA    K    92_A      K    92_A     0.230     0    0.018   0.162     1.424  100.000   94.762
LGA    S    93_A      S    93_A     0.310     0    0.061   0.638     2.023  100.000   92.540
LGA    T    94_A      T    94_A     0.259     0    0.059   0.079     0.354  100.000  100.000
LGA    C    95_A      C    95_A     0.188     0    0.014   0.042     0.318  100.000  100.000
LGA    T    96_A      T    96_A     0.258     0    0.022   0.027     0.410  100.000  100.000
LGA    A    97_A      A    97_A     0.202     0    0.018   0.026     0.319  100.000  100.000
LGA    V    98_A      V    98_A     0.693     0    0.038   0.052     1.065   92.857   90.544
LGA    I    99_A      I    99_A     0.803     0    0.030   0.404     1.100   90.476   89.345
LGA    T   100_A      T   100_A     0.508     0    0.018   0.044     0.771   90.476   90.476
LGA    E   101_A      E   101_A     0.509     0    0.027   0.266     1.153   90.476   90.529
LGA    P   102_A      P   102_A     0.677     0    0.074   0.295     0.864   90.476   91.837
LGA    L   103_A      L   103_A     0.520     0    0.073   1.374     2.785   92.857   82.202
LGA    N   104_A      N   104_A     1.532     0    0.170   1.251     5.993   60.357   46.607
LGA    N   105_A      N   105_A     5.196     0    0.627   0.526    10.498   39.048   20.952
LGA    E   106_A      E   106_A     1.518     0    0.120   1.060     6.326   71.071   57.037
LGA    R   107_A      R   107_A     1.146     0    0.080   1.082     4.357   85.952   75.368
LGA    F   108_A      F   108_A     1.083     0    0.104   1.269     5.141   85.952   67.186
LGA    V   109_A      V   109_A     0.637     0    0.043   0.049     0.731   90.476   94.558
LGA    H   110_A      H   110_A     0.944     0    0.037   1.265     5.005   90.476   71.714
LGA    S   111_A      S   111_A     0.653     0    0.024   0.048     0.736   90.476   90.476
LGA    F   112_A      F   112_A     0.304     0    0.079   0.170     0.721  100.000   97.403
LGA    T   113_A      T   113_A     0.141     0    0.077   1.161     2.509  100.000   88.844
LGA    C   114_A      C   114_A     0.472     0    0.055   0.057     0.944   95.238   93.651
LGA    G   115_A      G   115_A     0.442     0    0.684   0.684     3.208   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):     1.101          1.104                  1.631           91.676   86.829

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    101    0.88    94.903    97.330    10.294

LGA_LOCAL      RMSD:   0.881  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.106  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.101  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.316863 * X  +  -0.071346 * Y  +   0.945784 * Z  + -29.222099
  Y_new =  -0.447920 * X  +   0.890221 * Y  +  -0.082910 * Z  +  31.273851
  Z_new =  -0.836042 * X  +  -0.449907 * Y  +  -0.314035 * Z  +   0.795868 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.186478  0.990028 -2.180180   [DEG: -125.2759   56.7244 -124.9151 ]
ZXZ:  1.483357  1.890237 -2.064488   [DEG:   84.9901  108.3026 -118.2864 ]
 
# END of job
